@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4599

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL101311,CHEMBL103667,CHEMBL105442,CHEMBL1081312,CHEMBL1084546,CHEMBL1164180,CHEMBL1173655,CHEMBL117697,CHEMBL119385,CHEMBL1230020,CHEMBL1233887,CHEMBL1236107,CHEMBL1241674,CHEMBL124660,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1421,CHEMBL1421720,CHEMBL14762,CHEMBL1614701,CHEMBL162,CHEMBL1673039,CHEMBL1721885,CHEMBL1738758,CHEMBL1789941,CHEMBL180022,CHEMBL1825138,CHEMBL1870106,CHEMBL1879463,CHEMBL189963,CHEMBL189977,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL1949855,CHEMBL1964382,CHEMBL1964441,CHEMBL1964444,CHEMBL1964902,CHEMBL1964948,CHEMBL1965033,CHEMBL1965169,CHEMBL1965170,CHEMBL1965387,CHEMBL1965660,CHEMBL1966175,CHEMBL1966501,CHEMBL1967252,CHEMBL1967336,CHEMBL1967513,CHEMBL1967878,CHEMBL1967992,CHEMBL1967998,CHEMBL1968130,CHEMBL1968515,CHEMBL1968705,CHEMBL1968868,CHEMBL1969151,CHEMBL1969664,CHEMBL1969942,CHEMBL1970290,CHEMBL1970317,CHEMBL1970340,CHEMBL1970352,CHEMBL1971132,CHEMBL1971223,CHEMBL1971289,CHEMBL1971519,CHEMBL1971606,CHEMBL1971943,CHEMBL1972220,CHEMBL1972346,CHEMBL1972355,CHEMBL1972462,CHEMBL1972934,CHEMBL1973013,CHEMBL1973016,CHEMBL1973138,CHEMBL1973359,CHEMBL1973363,CHEMBL1973516,CHEMBL1973720,CHEMBL1973793,CHEMBL1973868,CHEMBL1973961,CHEMBL1974328,CHEMBL1974574,CHEMBL1974875,CHEMBL1974998,CHEMBL1975121,CHEMBL1975212,CHEMBL1975903,CHEMBL1975921,CHEMBL1975923,CHEMBL1975927,CHEMBL1976040,CHEMBL1976196,CHEMBL1976376,CHEMBL1976420,CHEMBL1977134,CHEMBL1977138,CHEMBL1977634,CHEMBL1977749,CHEMBL1977814,CHEMBL1978166,CHEMBL1978167,CHEMBL1978195,CHEMBL1978271,CHEMBL1978371,CHEMBL1978448,CHEMBL1978562,CHEMBL1978567,CHEMBL1979690,CHEMBL1979773,CHEMBL1980167,CHEMBL1980246,CHEMBL1980297,CHEMBL1980329,CHEMBL1980391,CHEMBL1980407,CHEMBL1980671,CHEMBL1980763,CHEMBL1980995,CHEMBL1981047,CHEMBL1981133,CHEMBL1981215,CHEMBL1981671,CHEMBL1981744,CHEMBL1981792,CHEMBL1982413,CHEMBL1982660,CHEMBL1982700,CHEMBL1982711,CHEMBL1982753,CHEMBL1983111,CHEMBL1983268,CHEMBL1983348,CHEMBL1983393,CHEMBL1983575,CHEMBL1983640,CHEMBL1983715,CHEMBL1983923,CHEMBL1983945,CHEMBL1983980,CHEMBL1984038,CHEMBL1984236,CHEMBL1984296,CHEMBL1984500,CHEMBL1984686,CHEMBL1984760,CHEMBL1984842,CHEMBL1985206,CHEMBL1985367,CHEMBL1985681,CHEMBL1986143,CHEMBL1986177,CHEMBL1986265,CHEMBL1986503,CHEMBL1986590,CHEMBL1986756,CHEMBL1986899,CHEMBL1986943,CHEMBL1987430,CHEMBL1987535,CHEMBL1987998,CHEMBL1988141,CHEMBL1988437,CHEMBL1988581,CHEMBL1988692,CHEMBL1988805,CHEMBL1989043,CHEMBL1989267,CHEMBL1989471,CHEMBL1989708,CHEMBL1990223,CHEMBL1990254,CHEMBL1990496,CHEMBL1990885,CHEMBL1991008,CHEMBL1991078,CHEMBL1991410,CHEMBL1991674,CHEMBL1991678,CHEMBL1991734,CHEMBL1991782,CHEMBL1991867,CHEMBL1992042,CHEMBL1992073,CHEMBL1992125,CHEMBL1992371,CHEMBL1992581,CHEMBL1992673,CHEMBL1992937,CHEMBL1993335,CHEMBL1993374,CHEMBL1993413,CHEMBL1993661,CHEMBL1993877,CHEMBL1993904,CHEMBL1994308,CHEMBL1994318,CHEMBL1994526,CHEMBL1994555,CHEMBL1994724,CHEMBL1994977,CHEMBL1995172,CHEMBL1995211,CHEMBL1995765,CHEMBL1995811,CHEMBL1996048,CHEMBL1996176,CHEMBL1996345,CHEMBL1996500,CHEMBL1996510,CHEMBL1996576,CHEMBL1996646,CHEMBL1996649,CHEMBL1996702,CHEMBL1997007,CHEMBL1997041,CHEMBL1997193,CHEMBL1997197,CHEMBL1997275,CHEMBL1997335,CHEMBL1997611,CHEMBL1997846,CHEMBL1997892,CHEMBL1998110,CHEMBL1998253,CHEMBL1998470,CHEMBL1998680,CHEMBL1998953,CHEMBL1999120,CHEMBL1999414,CHEMBL1999484,CHEMBL1999506,CHEMBL2000029,CHEMBL2000568,CHEMBL2000934,CHEMBL2001019,CHEMBL2001149,CHEMBL2001584,CHEMBL2001613,CHEMBL2001923,CHEMBL2001987,CHEMBL2002099,CHEMBL2002105,CHEMBL2002586,CHEMBL2002599,CHEMBL2002690,CHEMBL2002723,CHEMBL2002802,CHEMBL2002992,CHEMBL2003514,CHEMBL2003689,CHEMBL2003785,CHEMBL2004025,CHEMBL2004033,CHEMBL2004118,CHEMBL2004159,CHEMBL2004290,CHEMBL2004438,CHEMBL2004515,CHEMBL2004637,CHEMBL2004887,CHEMBL2005449,CHEMBL2005478,CHEMBL2005699,CHEMBL2005792,CHEMBL2006299,CHEMBL2006439,CHEMBL2006450,CHEMBL2006564,CHEMBL2006674,CHEMBL2006765,CHEMBL2007097,CHEMBL2007124,CHEMBL2007266,CHEMBL2007375,CHEMBL2007421,CHEMBL2007479,CHEMBL2007559,CHEMBL2007574,CHEMBL2007603,CHEMBL202721,CHEMBL2064666,CHEMBL208637,CHEMBL2087647,CHEMBL2087648,CHEMBL2087649,CHEMBL2087650,CHEMBL2087651,CHEMBL2087652,CHEMBL2087653,CHEMBL2087654,CHEMBL2087655,CHEMBL2087656,CHEMBL2087657,CHEMBL2087658,CHEMBL2087659,CHEMBL2087660,CHEMBL2087661,CHEMBL2087662,CHEMBL2087663,CHEMBL2087664,CHEMBL2087665,CHEMBL2087666,CHEMBL2087667,CHEMBL2087668,CHEMBL2087669,CHEMBL2087670,CHEMBL2087671,CHEMBL2087871,CHEMBL2087872,CHEMBL2087873,CHEMBL2087874,CHEMBL2087875,CHEMBL2087876,CHEMBL2087877,CHEMBL2087878,CHEMBL2087879,CHEMBL2087880,CHEMBL2087881,CHEMBL2087882,CHEMBL2087883,CHEMBL2087884,CHEMBL2087885,CHEMBL2087886,CHEMBL2087887,CHEMBL210032,CHEMBL210618,CHEMBL210928,CHEMBL210963,CHEMBL21156,CHEMBL215152,CHEMBL2205766,CHEMBL221959,CHEMBL223360,CHEMBL225519,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL2325936,CHEMBL2325937,CHEMBL2325938,CHEMBL2325939,CHEMBL2325940,CHEMBL2325941,CHEMBL2325942,CHEMBL2325943,CHEMBL2325944,CHEMBL2325945,CHEMBL2325946,CHEMBL2325947,CHEMBL2325948,CHEMBL2325949,CHEMBL2325950,CHEMBL2325951,CHEMBL2325952,CHEMBL2325953,CHEMBL2325954,CHEMBL2325955,CHEMBL2325956,CHEMBL2325957,CHEMBL2325958,CHEMBL2325959,CHEMBL2325960,CHEMBL2325961,CHEMBL2325962,CHEMBL2325963,CHEMBL2325964,CHEMBL2325965,CHEMBL2325966,CHEMBL2325967,CHEMBL2325968,CHEMBL2325969,CHEMBL2325970,CHEMBL2325971,CHEMBL2325972,CHEMBL2325973,CHEMBL2325974,CHEMBL2333365,CHEMBL234085,CHEMBL235157,CHEMBL239590,CHEMBL239591,CHEMBL240429,CHEMBL240430,CHEMBL240431,CHEMBL240432,CHEMBL242865,CHEMBL245408,CHEMBL247068,CHEMBL247070,CHEMBL247272,CHEMBL247468,CHEMBL247469,CHEMBL247479,CHEMBL247480,CHEMBL247667,CHEMBL247677,CHEMBL247866,CHEMBL247878,CHEMBL247880,CHEMBL248079,CHEMBL248080,CHEMBL248081,CHEMBL24828,CHEMBL248286,CHEMBL249697,CHEMBL253969,CHEMBL255863,CHEMBL259084,CHEMBL261849,CHEMBL262623,CHEMBL278041,CHEMBL288441,CHEMBL296468,CHEMBL300138,CHEMBL31965,CHEMBL360847,CHEMBL377300,CHEMBL377383,CHEMBL377408,CHEMBL378627,CHEMBL379218,CHEMBL379975,CHEMBL38380,CHEMBL384304,CHEMBL386051,CHEMBL392990,CHEMBL393596,CHEMBL394490,CHEMBL398951,CHEMBL399008,CHEMBL399212,CHEMBL406845,CHEMBL415049,CHEMBL422897,CHEMBL424872,CHEMBL427687,CHEMBL428690,CHEMBL437754,CHEMBL440084,CHEMBL445813,CHEMBL450786,CHEMBL450918,CHEMBL451401,CHEMBL458333,CHEMBL458997,CHEMBL459044,CHEMBL459220,CHEMBL461158,CHEMBL461159,CHEMBL461337,CHEMBL461876,CHEMBL462189,CHEMBL462364,CHEMBL462365,CHEMBL464552,CHEMBL472392,CHEMBL472393,CHEMBL475251,CHEMBL477772,CHEMBL482767,CHEMBL482967,CHEMBL483158,CHEMBL483321,CHEMBL487048,CHEMBL487054,CHEMBL487055,CHEMBL487241,CHEMBL487242,CHEMBL487243,CHEMBL487896,CHEMBL487897,CHEMBL488061,CHEMBL488062,CHEMBL49120,CHEMBL491473,CHEMBL494089,CHEMBL502156,CHEMBL504331,CHEMBL50894,CHEMBL509032,CHEMBL513909,CHEMBL514919,CHEMBL516660,CHEMBL518822,CHEMBL519916,CHEMBL520403,CHEMBL521379,CHEMBL521381,CHEMBL521851,CHEMBL522892,CHEMBL525191,CHEMBL535,CHEMBL546797,CHEMBL550418,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL565612,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL592030,CHEMBL597754,CHEMBL599224,CHEMBL599428,CHEMBL601719,CHEMBL607707,CHEMBL608154,CHEMBL91829,CHEMBL939,CHEMBL941}
@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.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_DN 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_DP numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL 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_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_04_PP numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_06_AP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DN numeric
@attribute CATS2D_06_DP numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_06_PN numeric
@attribute CATS2D_06_PP numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DN numeric
@attribute CATS2D_07_DP numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_07_PN numeric
@attribute CATS2D_07_PP numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AN numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DN numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_08_PP numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AN numeric
@attribute CATS2D_09_AP numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DN numeric
@attribute CATS2D_09_DP numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CATS2D_09_PL numeric
@attribute CATS2D_09_PP numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute Cl.090 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr04 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr07 numeric
@attribute D.Dtr08 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute D.Dtr11 numeric
@attribute D.Dtr12 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.dm. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.dm. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.dm. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.dm. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
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@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
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@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
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@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
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@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
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@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
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@attribute Eig15_AEA.bo. numeric
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@attribute Eig15_EA numeric
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@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
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@attribute Eta_C numeric
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@attribute Eta_F numeric
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@attribute Eta_L numeric
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@attribute Eta_sh_y numeric
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@attribute Inflammat.50 numeric
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@attribute nHAcc numeric
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@attribute nN.CO.2 numeric
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@attribute nPyrazines numeric
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@attribute nPyrimidines numeric
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@attribute nThiophenes numeric
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@attribute ON1 numeric
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@attribute piID numeric
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@attribute Pol numeric
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@attribute Psychotic.50 numeric
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@attribute P_VSA_i_4 numeric
@attribute P_VSA_LogP_1 numeric
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@attribute PW2 numeric
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@attribute Ram numeric
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@attribute Rbrid numeric
@attribute RCI numeric
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@attribute S0K numeric
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@attribute S1K numeric
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@attribute SaaaC numeric
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@attribute SM03_EA.ed. numeric
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@attribute SM06_EA.ri. numeric
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@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 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 1,160 1,169 10,172 4,175 1,177 2,179 9,183 8,188 5,191 5,195 8,200 4,202 6,207 1,210 1,212 2,215 14,218 1,219 1,227 18,232 1,233 3,236 1,241 12,247 4,255 4,260 4,272 1123,273 18.361,274 18.361,275 18.361,276 18.361,277 18.361,278 15.561,279 4.368,280 10.837,281 18.876,282 14.814,283 14.814,284 14.814,285 14.814,286 14.814,287 10.659,288 2.498,289 5.164,290 15.642,291 3.744,292 2.087,293 1.302,294 0.762,295 0.669,296 0.669,297 4.038,300 1,301 1,302 1,303 587,304 2.646,307 74.848,308 265.59,315 1.451,316 27.251,318 1,319 1,320 1,321 1,322 0.6,324 1,325 1,326 0.8,327 58,328 271,329 4.568,330 4.698,331 6.747,332 4.172,333 3.204,334 4.301,335 2.95,336 11.08,337 3.103,338 4.196,339 3.207,340 6.1,341 3.769,342 2.819,343 3.802,345 8.88,346 2.706,347 3.986,348 2.897,349 5.879,350 3.558,351 2.592,352 3.578,354 8.043,355 2.526,356 3.913,357 2.729,358 5.772,359 3.479,360 2.553,361 3.377,363 7.837,364 2.294,365 3.621,366 2.51,367 5.054,368 3.176,369 2.229,370 3.038,372 6.071,373 2.091,374 3.253,375 2.432,376 4.69,377 2.752,378 1.805,379 2.55,381 4.948,382 1.696,383 2.997,384 1.854,385 4.272,386 2.455,387 1.527,388 2.177,390 3.75,391 1.403,392 2.727,393 1.488,394 3.913,395 2.169,396 1.23,397 1.772,399 3.032,400 1.139,401 2.5,402 1.172,403 3.711,404 2,405 1,406 1.5,408 2.575,409 1,410 2.5,411 1,412 3.456,413 2,414 1,415 1.5,417 2.275,418 1,419 2.5,420 1,421 3.414,422 1.984,423 1,424 1.5,426 2.275,427 0.983,428 2.44,429 1,430 3.414,431 1.892,432 0.945,433 1.382,435 2.192,436 0.886,437 2.277,438 0.826,439 3.247,440 1.716,441 0.792,442 1.169,444 2.136,445 0.73,446 1.137,447 0.62,448 2.605,449 0.725,450 -0.188,451 -0.236,453 -0.422,454 -0.166,455 0.965,456 0.301,457 2.512,458 0.504,459 -0.453,460 -0.594,462 -1.096,463 -0.422,464 13.152,465 0.487,466 0.644,467 0.024,468 40.5,469 1.5,470 23.5,471 0.87,472 17,473 0.63,474 17.941,475 0.664,476 27.048,477 0.629,478 29.792,479 1.103,480 8.054,481 0.298,482 5.06,483 0.187,484 0.085,486 0.367,490 1,492 0.545,493 0.959,494 0.724,495 0.931,496 0.569,497 0.805,498 0.683,499 1.023,500 1.025,501 1.087,502 0.581,503 0.931,504 1.117,505 1.081,506 1.027,507 1.01,508 1.067,509 1.008,510 1.059,511 1.04,512 1.039,513 0.992,514 0.909,515 1.052,516 0.717,517 0.694,518 0.72,519 0.677,520 0.564,521 0.839,522 0.446,523 0.776,524 0.686,525 0.856,526 0.416,527 0.929,528 0.461,529 0.996,530 0.879,531 1.094,532 0.567,533 1.166,534 0.905,535 0.972,536 0.883,537 0.948,538 0.88,539 1.093,540 5,541 0.136,542 3.333,543 1.41,544 1.466,545 1.202,546 0.457,547 0.28,548 0.357,549 0.275,550 8549,551 27336,552 2.12,553 37.2,555 13,557 2,558 1,563 1.706,564 2,565 3.291,566 -0.346,568 1,572 72.336,573 1.682,574 3.339,575 4.125,576 4.665,577 4.758,578 4.758,579 2.75,580 4.236,581 4.72,582 3.463,583 1215.67,584 8.228,585 15393.9,587 1,589 1,590 233.329,591 1.352,592 4.694,593 0.167,594 0.008,595 0.079,596 0.034,597 0.038,598 0.032,599 0.012,600 0.008,601 0.012,602 0.013,603 0.402,604 0.17,605 1,606 0.704,607 132.502,608 0.018,609 -0.04,610 0.116,611 0.009,612 -0.084,613 0.039,614 -0.009,615 -0.086,616 -0.1,617 -0.115,618 0.026,619 -0.044,620 -0.151,621 -0.103,622 -0.141,623 -0.081,624 -0.09,625 -0.096,626 -0.175,627 -0.093,628 -0.202,629 -0.121,630 -0.112,631 -0.148,632 -0.066,633 0.122,634 0.04,635 0.143,636 -0.04,637 0.12,638 0.137,639 0.077,640 0.099,641 0.015,642 0.074,643 0.039,644 0.218,645 -0.104,646 -0.058,647 -0.179,648 0.091,649 -0.209,650 -0.055,651 -0.064,652 -0.005,653 -0.034,654 -0.053,655 -0.071,656 2.25,657 5.338,658 0.852,659 25.295,660 1.009,661 1.113,662 3.69,663 13.619,664 0.73,665 3.434,666 3.761,667 4.043,668 4.304,669 4.575,670 4.718,671 4.875,672 4.99,673 5.165,674 5.231,675 6.08,676 0.699,677 377.47,678 3.434,679 4.977,680 5.832,681 6.711,682 7.588,683 8.477,684 9.365,685 10.26,686 11.154,687 12.053,688 7,696 1,698 2,703 12,704 2,705 1,708 8,710 23,726 1,727 43,729 24,730 2,731 30,733 46,734 21,735 20,736 4,737 8,739 4,740 4,754 20,755 1,758 1,763 1,767 1,770 1,771 1,773 16,774 4,775 1,776 6,777 1,779 1,782 3,786 1,787 1,798 1,804 1,805 3,830 4,832 1,834 1,836 1,838 27,840 1,859 1,860 2.3,863 1,867 13.5,868 8.126,869 5.889,870 2.38,872 3.419,873 1.461,874 1.04,875 4.763,876 10.831,877 3.773,878 4.404,879 5.025,880 5.633,881 6.205,882 6.579,883 7.074,884 7.513,885 8.009,886 8.403,887 0.857,888 42,889 9.975,891 4.309,892 7.872,893 18.812,895 15.524,897 2.372,898 64.056,901 1,902 176.567,903 167.25,904 50.357,906 22.156,907 14.96,908 19.133,909 148.118,910 198.723,911 65.317,912 7.19,914 113.895,915 81.598,916 57.866,917 17.717,918 153.024,920 176.567,921 198.474,922 37.117,923 19.133,925 191.527,926 22.156,929 39.965,930 124.938,931 33.571,932 19.133,933 191.527,934 72.513,935 167.25,938 195.699,939 28.07,940 120.048,941 16.786,942 70.688,943 176.567,944 87.473,945 167.25,947 0.583,948 0.337,949 0.176,950 0.102,951 21,952 9,953 0.087,954 4,956 1,957 3.869,958 237.009,960 23,961 116.382,963 1,965 17.477,966 7.358,967 3.635,969 70.688,970 20.936,971 8.82,972 3.368,975 5.372,977 16.786,978 431.29,979 42.5,984 11.6,988 -1.028,990 43.407,991 47.87,992 0.31,993 0.615,994 0.76,995 0.86,996 0.877,997 0.877,998 4.989,999 1.23,1000 5.814,1001 3.75,1002 4.443,1003 5.091,1004 2.913,1005 6.624,1006 4.347,1007 6.21,1008 1,1009 7.372,1010 3.032,1011 4.007,1012 4.796,1014 7.529,1015 3.829,1016 7.516,1017 1,1018 9.031,1019 2.575,1020 6.033,1021 7.299,1022 5.027,1023 10.63,1024 5.859,1025 8.859,1026 1,1027 10.75,1028 2.275,1029 6.431,1030 7.837,1032 12.386,1033 6.185,1034 10.233,1035 0.945,1036 12.509,1037 2.275,1038 7.917,1039 9.773,1040 7.185,1041 15.002,1042 7.672,1043 11.63,1044 0.792,1045 14.294,1046 2.192,1047 8.694,1048 10.716,1050 17.109,1051 8.392,1052 13.044,1053 -0.188,1054 16.099,1055 2.136,1056 9.961,1057 12.395,1058 9.348,1059 19.567,1060 9.652,1061 3.204,1062 -0.453,1063 17.918,1064 -0.422,1065 10.922,1066 13.557,1068 21.832,1069 10.569,1070 2.819,1071 11.08,1072 19.749,1073 -1.096,1074 12.102,1075 15.108,1076 11.511,1077 24.24,1078 11.733,1079 2.592,1080 8.88,1081 21.589,1082 4.301,1083 13.154,1084 16.393,1086 26.576,1087 12.749,1088 2.553,1089 8.043,1090 23.437,1091 3.802,1092 14.303,1093 17.883,1094 13.675,1095 28.972,1096 13.876,1097 2.229,1098 7.837,1099 25.291,1100 3.578,1101 15.401,1102 19.238,1104 31.342,1105 14.942,1106 1.805,1107 6.071,1108 27.151,1109 3.377,1110 16.542,1111 20.7,1112 15.838,1113 33.738,1114 16.059,1115 1.527,1116 4.948,1117 29.017,1118 3.038,1119 17.665,1120 22.095,1122 36.124,1123 17.151,1124 8183,1125 14750,1126 20.285,1127 31.387,1128 46.121,1129 48.057,1130 46.538,1131 45.542,1132 45.393,1133 63.291,1134 5.9,1135 130.187,1136 43.112,1137 5.267,1138 6.698,1139 6.549,1140 5.207,1141 5.204,1142 7.301,1143 5.9,1144 18.235,1145 5.103,1146 12.043,1147 1.537,1148 1.602,1149 1.551,1150 1.518,1151 1.513,1152 2.11,1153 0.197,1154 4.34,1155 1.437,1156 4.093,1157 4.128,1158 4.34,1159 4.01,1160 8.201,1161 4.007,1162 3.902,1163 3.916,1164 4.036,1165 3.882,1166 7.398,1167 3.847,1168 3.833,1169 3.867,1170 3.785,1171 3.747,1172 5.032,1173 3.748,1174 3.636,1175 3.679,1176 3.708,1177 3.526,1178 4.839,1179 3.494,1180 3.381,1181 3.405,1182 3.463,1183 3.301,1184 4.641,1185 3.239,1186 2.895,1187 2.942,1188 2.853,1189 2.748,1190 4.503,1191 2.755,1192 2.854,1193 2.925,1194 2.687,1195 2.735,1196 3.792,1197 2.715,1198 2.854,1199 2.925,1200 2.687,1201 2.735,1202 3.716,1203 2.715,1204 0.152,1205 0.157,1206 0.225,1207 0.139,1208 0.107,1209 4.568,1210 0.143,1211 4.698,1212 0.098,1213 6.747,1214 0.369,1215 4.172,1216 0.103,1217 3.204,1218 4.301,1219 2.95,1220 11.08,1221 3.103,1222 1.93,1223 1.915,1224 2.012,1225 2.02,1226 1.154,1227 2.022,1228 1.925,1229 1.902,1230 1.992,1231 1.994,1232 1.117,1233 2.009,1234 1.814,1235 1.782,1236 1.921,1237 1.923,1238 0.975,1239 1.928,1240 1.429,1241 1.415,1242 1.552,1243 1.597,1244 0.766,1245 1.633,1246 1.267,1247 1.221,1248 1.409,1249 1.469,1250 0.462,1251 1.481,1252 1.149,1253 1.086,1254 1.259,1255 1.358,1256 0.336,1257 1.335,1258 0.886,1259 0.821,1260 1.181,1261 1.062,1262 0.218,1263 1.107,1264 0.886,1265 0.821,1266 1.181,1267 1.062,1268 0.218,1269 1.107,1270 4.111,1272 5.434,1273 2.398,1274 6.952,1275 4.727,1276 8.551,1277 6.862,1278 10.193,1280 1.649,1282 13.338,1296 30.037,1297 72.336,1298 143.581,1299 177.355,1300 200.574,1301 204.574,1302 204.574,1303 45.154,1304 7.412,1305 58.64,1306 77.85,1307 23,1308 12.577,1309 4.644,1310 3.755,1311 39.954,1312 97,1313 102,1314 0.203,1315 187.143,1316 316.15,1317 448.389,1318 14504,1319 2.3,1320 18.803,1321 0.696,1322 0.568,1323 18.221,1324 15.334,1325 13.114,1326 0.437,1327 0.329,1328 8.367,1329 12.075,1330 8.007,1331 6.652,1332 13.464,1333 9.876,1334 11.896,1335 0.283,1336 0.176,1337 12.132,1338 7.41,1339 10.047,1340 0.179,1341 0.093,1342 10.274,1343 5.186,1344 8.173,1345 0.112,1346 0.046,1347 8.451,1348 3.378,1349 6.78,1350 0.071,1351 0.024,1352 6.866,1353 2.284,1354 0.312,1355 88.885,1356 0.222,1357 25.663,1358 0.579,1359 144,1360 466.33,1361 180.557,1362 455.817,1363 618.46,1364 424,1365 170,1366 436.236,1367 204.305,1368 462.651,1369 666.94,1370 434,1371 5.2}
{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 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1.504,1150 1.48,1151 1.479,1152 1.929,1153 0.163,1154 4.109,1155 1.426,1156 4.028,1157 4.068,1158 3.978,1159 3.932,1160 7.429,1161 3.936,1162 3.942,1163 3.983,1164 3.891,1165 3.852,1166 5.049,1167 3.855,1168 3.893,1169 3.932,1170 3.833,1171 3.814,1172 4.842,1173 3.816,1174 3.794,1175 3.855,1176 3.684,1177 3.604,1178 4.74,1179 3.614,1180 3.667,1181 3.724,1182 3.611,1183 3.505,1184 4.684,1185 3.524,1186 3.412,1187 3.467,1188 3.335,1189 3.214,1190 4.378,1191 3.235,1192 3.242,1193 3.335,1194 3.084,1195 3.036,1196 4.052,1197 3.031,1198 3.111,1199 3.206,1200 2.962,1201 2.941,1202 3.963,1203 2.91,1204 0.105,1205 0.087,1206 0.151,1207 0.096,1208 0.072,1209 4.315,1210 0.097,1211 3.573,1212 0.026,1213 6.185,1214 0.225,1215 3.93,1216 0.07,1217 2.959,1218 3.96,1219 1.058,1220 9.244,1221 2.89,1222 1.957,1223 1.929,1224 2.065,1225 2.075,1226 1.323,1227 2.073,1228 1.918,1229 1.886,1230 2.028,1231 2.05,1232 1.16,1233 2.045,1234 1.877,1235 1.846,1236 1.979,1237 1.995,1238 1.125,1239 1.994,1240 1.752,1241 1.681,1242 1.95,1243 1.936,1244 1.027,1245 1.946,1246 1.608,1247 1.556,1248 1.728,1249 1.794,1250 0.825,1251 1.779,1252 1.344,1253 1.291,1254 1.591,1255 1.588,1256 0.735,1257 1.587,1258 1.223,1259 1.136,1260 1.546,1261 1.48,1262 0.691,1263 1.503,1264 1.153,1265 1.064,1266 1.513,1267 1.376,1268 0.619,1269 1.429,1270 4.419,1272 5.727,1274 7.225,1276 8.801,1278 10.416,1280 4.158,1286 5.237,1287 6.294,1291 4.8,1296 43.186,1297 99.834,1298 239.113,1299 318.954,1300 358.928,1301 374.438,1302 374.438,1303 55.749,1304 8.411,1305 86.28,1306 86.28,1307 30,1308 12.647,1309 4.7,1310 3.807,1311 57.104,1312 209,1313 228,1314 0.128,1315 265.482,1316 456.33,1317 639.535,1318 68589,1320 25.614,1321 0.692,1322 0.573,1323 25.614,1324 21.185,1325 18.03,1326 0.44,1327 0.304,1328 12.293,1329 17.418,1330 11.937,1331 9.945,1332 18.03,1333 12.457,1334 16.198,1335 0.289,1336 0.168,1337 16.198,1338 9.392,1339 13.45,1340 0.189,1341 0.093,1342 13.45,1343 6.573,1344 10.811,1345 0.121,1346 0.048,1347 10.811,1348 4.278,1349 9.213,1350 0.08,1351 0.027,1352 9.213,1353 3.137,1354 0.21,1355 112.246,1356 0.189,1357 34.613,1358 0.329,1359 194,1360 510.627,1361 209.481,1362 506.189,1363 701.38,1364 476,1365 224,1366 521.411,1367 240.37,1368 535.987,1369 775.58,1370 502,1371 5.2}