@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2689 @attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL101311,CHEMBL103667,CHEMBL105442,CHEMBL1077291,CHEMBL1081312,CHEMBL1084546,CHEMBL1086675,CHEMBL1086676,CHEMBL1086932,CHEMBL1087984,CHEMBL1088539,CHEMBL1094718,CHEMBL1095034,CHEMBL1095035,CHEMBL1095036,CHEMBL1095356,CHEMBL1095357,CHEMBL1095358,CHEMBL1095359,CHEMBL1095360,CHEMBL1095361,CHEMBL1097824,CHEMBL1098157,CHEMBL1098158,CHEMBL1164180,CHEMBL1173655,CHEMBL119385,CHEMBL1230020,CHEMBL1233887,CHEMBL1236107,CHEMBL1240703,CHEMBL1241674,CHEMBL124660,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1421,CHEMBL1421720,CHEMBL153843,CHEMBL1614701,CHEMBL162,CHEMBL1684800,CHEMBL1721885,CHEMBL1765781,CHEMBL1766529,CHEMBL1784725,CHEMBL1789941,CHEMBL180022,CHEMBL1802829,CHEMBL1813632,CHEMBL1822792,CHEMBL1825138,CHEMBL1834657,CHEMBL1870106,CHEMBL1879463,CHEMBL189963,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL1922404,CHEMBL1922405,CHEMBL1929238,CHEMBL1945559,CHEMBL1949788,CHEMBL1949789,CHEMBL1949855,CHEMBL1964382,CHEMBL1964441,CHEMBL1964444,CHEMBL1964902,CHEMBL1964948,CHEMBL1965033,CHEMBL1965169,CHEMBL1965170,CHEMBL1965387,CHEMBL1965660,CHEMBL1966175,CHEMBL1967252,CHEMBL1967336,CHEMBL1967513,CHEMBL1967878,CHEMBL1967992,CHEMBL1967998,CHEMBL1968130,CHEMBL1968705,CHEMBL1968868,CHEMBL1969151,CHEMBL1969664,CHEMBL1969942,CHEMBL1970317,CHEMBL1970340,CHEMBL1970352,CHEMBL1971223,CHEMBL1971289,CHEMBL1971519,CHEMBL1971534,CHEMBL1971606,CHEMBL1971943,CHEMBL1972220,CHEMBL1972355,CHEMBL1972462,CHEMBL1972934,CHEMBL1973013,CHEMBL1973016,CHEMBL1973138,CHEMBL1973359,CHEMBL1973363,CHEMBL1973516,CHEMBL1973720,CHEMBL1973793,CHEMBL1973868,CHEMBL1973961,CHEMBL1974328,CHEMBL1974480,CHEMBL1974574,CHEMBL1974617,CHEMBL1974875,CHEMBL1974998,CHEMBL1975121,CHEMBL1975212,CHEMBL1975903,CHEMBL1975921,CHEMBL1975923,CHEMBL1975927,CHEMBL1976040,CHEMBL1976196,CHEMBL1976376,CHEMBL1976420,CHEMBL1977134,CHEMBL1977138,CHEMBL1977634,CHEMBL1977749,CHEMBL1977814,CHEMBL1977931,CHEMBL1978166,CHEMBL1978167,CHEMBL1978195,CHEMBL1978271,CHEMBL1978371,CHEMBL1978448,CHEMBL1978562,CHEMBL1978567,CHEMBL1979690,CHEMBL1979773,CHEMBL1980167,CHEMBL1980246,CHEMBL1980297,CHEMBL1980329,CHEMBL1980376,CHEMBL1980391,CHEMBL1980407,CHEMBL1980671,CHEMBL1980763,CHEMBL1980995,CHEMBL1981047,CHEMBL1981133,CHEMBL1981215,CHEMBL1981744,CHEMBL1981792,CHEMBL1982413,CHEMBL1982660,CHEMBL1982700,CHEMBL1982711,CHEMBL1983070,CHEMBL1983111,CHEMBL1983268,CHEMBL1983348,CHEMBL1983393,CHEMBL1983575,CHEMBL1983630,CHEMBL1983640,CHEMBL1983715,CHEMBL1983923,CHEMBL1983945,CHEMBL1983980,CHEMBL1984038,CHEMBL1984236,CHEMBL1984296,CHEMBL1984500,CHEMBL1984686,CHEMBL1984760,CHEMBL1984842,CHEMBL1984847,CHEMBL1985206,CHEMBL1985367,CHEMBL1985469,CHEMBL1985681,CHEMBL1986143,CHEMBL1986177,CHEMBL1986265,CHEMBL1986503,CHEMBL1986590,CHEMBL1986756,CHEMBL1986899,CHEMBL1986943,CHEMBL1987430,CHEMBL1987535,CHEMBL1987998,CHEMBL1988141,CHEMBL1988437,CHEMBL1988581,CHEMBL1988692,CHEMBL1988805,CHEMBL1989043,CHEMBL1989267,CHEMBL1989423,CHEMBL1989471,CHEMBL1989708,CHEMBL1989834,CHEMBL1990223,CHEMBL1990254,CHEMBL1990496,CHEMBL1990590,CHEMBL1990885,CHEMBL1991078,CHEMBL1991410,CHEMBL1991678,CHEMBL1991734,CHEMBL1991782,CHEMBL1992042,CHEMBL1992073,CHEMBL1992125,CHEMBL1992371,CHEMBL1992581,CHEMBL1992673,CHEMBL1992937,CHEMBL1993335,CHEMBL1993374,CHEMBL1993413,CHEMBL1993661,CHEMBL1993877,CHEMBL1993904,CHEMBL1994159,CHEMBL1994308,CHEMBL1994318,CHEMBL1994526,CHEMBL1994555,CHEMBL1994724,CHEMBL1994977,CHEMBL1995172,CHEMBL1995211,CHEMBL1995765,CHEMBL1995811,CHEMBL1996048,CHEMBL1996176,CHEMBL1996345,CHEMBL1996500,CHEMBL1996510,CHEMBL1996576,CHEMBL1996646,CHEMBL1996649,CHEMBL1996702,CHEMBL1997007,CHEMBL1997041,CHEMBL1997119,CHEMBL1997193,CHEMBL1997197,CHEMBL1997275,CHEMBL1997335,CHEMBL1997611,CHEMBL1997846,CHEMBL1997892,CHEMBL1998110,CHEMBL1998253,CHEMBL1998470,CHEMBL1998680,CHEMBL1999414,CHEMBL1999484,CHEMBL2000029,CHEMBL2000568,CHEMBL2000724,CHEMBL2000934,CHEMBL2001019,CHEMBL2001149,CHEMBL2001584,CHEMBL2001613,CHEMBL2001641,CHEMBL2001923,CHEMBL2001987,CHEMBL2002099,CHEMBL2002105,CHEMBL2002182,CHEMBL2002202,CHEMBL2002586,CHEMBL2002599,CHEMBL2002690,CHEMBL2002723,CHEMBL2002992,CHEMBL2003514,CHEMBL2003689,CHEMBL2003785,CHEMBL2004025,CHEMBL2004118,CHEMBL2004159,CHEMBL2004290,CHEMBL2004438,CHEMBL2004515,CHEMBL2005449,CHEMBL2005478,CHEMBL2005699,CHEMBL2005792,CHEMBL2006299,CHEMBL2006439,CHEMBL2006450,CHEMBL2006564,CHEMBL2006674,CHEMBL2006765,CHEMBL2007097,CHEMBL2007124,CHEMBL2007266,CHEMBL2007375,CHEMBL2007421,CHEMBL2007479,CHEMBL2007559,CHEMBL2007574,CHEMBL2007603,CHEMBL202721,CHEMBL2031893,CHEMBL2032274,CHEMBL2071457,CHEMBL21156,CHEMBL215152,CHEMBL2178352,CHEMBL2205766,CHEMBL221959,CHEMBL223360,CHEMBL225519,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL2323775,CHEMBL2324113,CHEMBL2324116,CHEMBL2324117,CHEMBL2324129,CHEMBL234085,CHEMBL235157,CHEMBL242865,CHEMBL24828,CHEMBL249697,CHEMBL253969,CHEMBL255863,CHEMBL259084,CHEMBL261849,CHEMBL262623,CHEMBL272888,CHEMBL276711,CHEMBL278041,CHEMBL288441,CHEMBL296468,CHEMBL300138,CHEMBL31965,CHEMBL347537,CHEMBL360847,CHEMBL377300,CHEMBL379218,CHEMBL379975,CHEMBL38380,CHEMBL384304,CHEMBL386051,CHEMBL398951,CHEMBL406845,CHEMBL415049,CHEMBL422897,CHEMBL428690,CHEMBL440084,CHEMBL444560,CHEMBL445813,CHEMBL447602,CHEMBL450786,CHEMBL451401,CHEMBL453737,CHEMBL458997,CHEMBL459850,CHEMBL460472,CHEMBL460702,CHEMBL460772,CHEMBL461648,CHEMBL461831,CHEMBL461876,CHEMBL462232,CHEMBL464552,CHEMBL475251,CHEMBL477772,CHEMBL482538,CHEMBL482767,CHEMBL483158,CHEMBL49120,CHEMBL491473,CHEMBL494089,CHEMBL505896,CHEMBL50894,CHEMBL509032,CHEMBL513909,CHEMBL521851,CHEMBL522892,CHEMBL525191,CHEMBL535,CHEMBL546797,CHEMBL550275,CHEMBL550418,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL565612,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL592030,CHEMBL600632,CHEMBL600795,CHEMBL601719,CHEMBL602471,CHEMBL602472,CHEMBL602703,CHEMBL608154,CHEMBL75232,CHEMBL91829,CHEMBL939,CHEMBL941} @attribute FCFP4_1024b801 numeric @attribute FCFP4_1024b524 numeric @attribute FCFP4_1024b947 numeric @attribute FCFP4_1024b495 numeric @attribute FCFP4_1024b253 numeric @attribute FCFP4_1024b198 numeric @attribute FCFP4_1024b999 numeric @attribute FCFP4_1024b953 numeric @attribute FCFP4_1024b1 numeric @attribute FCFP4_1024b10 numeric @attribute FCFP4_1024b100 numeric @attribute FCFP4_1024b1000 numeric @attribute FCFP4_1024b1001 numeric @attribute FCFP4_1024b1002 numeric @attribute FCFP4_1024b1003 numeric @attribute FCFP4_1024b1004 numeric @attribute FCFP4_1024b1005 numeric @attribute FCFP4_1024b1006 numeric @attribute FCFP4_1024b1007 numeric @attribute FCFP4_1024b1008 numeric @attribute FCFP4_1024b1009 numeric @attribute FCFP4_1024b101 numeric @attribute FCFP4_1024b1010 numeric @attribute FCFP4_1024b1011 numeric @attribute FCFP4_1024b1012 numeric @attribute FCFP4_1024b1013 numeric @attribute FCFP4_1024b1014 numeric @attribute FCFP4_1024b1015 numeric @attribute FCFP4_1024b1016 numeric @attribute FCFP4_1024b1017 numeric @attribute FCFP4_1024b1018 numeric @attribute FCFP4_1024b1019 numeric @attribute FCFP4_1024b102 numeric @attribute FCFP4_1024b1020 numeric @attribute FCFP4_1024b1021 numeric @attribute FCFP4_1024b1022 numeric @attribute FCFP4_1024b1023 numeric @attribute FCFP4_1024b1024 numeric @attribute FCFP4_1024b103 numeric @attribute FCFP4_1024b104 numeric @attribute FCFP4_1024b105 numeric @attribute FCFP4_1024b106 numeric @attribute FCFP4_1024b107 numeric @attribute FCFP4_1024b108 numeric @attribute FCFP4_1024b109 numeric @attribute FCFP4_1024b11 numeric @attribute FCFP4_1024b110 numeric @attribute FCFP4_1024b111 numeric @attribute FCFP4_1024b112 numeric @attribute FCFP4_1024b113 numeric @attribute FCFP4_1024b114 numeric @attribute pXC50 numeric @data {9 1,24 1,32 1,52 5.2} {0 CHEMBL101253,9 1,52 5.2} {0 CHEMBL101311,9 1,10 1,52 5.4} {0 CHEMBL103667,9 1,10 1,43 1,52 5.2} {0 CHEMBL105442,9 1,52 5} {0 CHEMBL1077291,34 1,52 5} {0 CHEMBL1081312,9 1,34 1,52 6.9} {0 CHEMBL1084546,9 1,43 1,52 6.6} {0 CHEMBL1086675,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,43 1,52 6.678} {0 CHEMBL1086676,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,43 1,52 6.229} {0 CHEMBL1086932,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,43 1,52 6.824} {0 CHEMBL1087984,1 1,2 1,3 1,4 1,5 1,7 1,8 1,9 1,43 1,52 7.097} {0 CHEMBL1088539,1 1,2 1,3 1,5 1,7 1,8 1,9 1,43 1,44 1,52 5} {0 CHEMBL1094718,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,43 1,52 7.301} {0 CHEMBL1095034,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,43 1,52 7.222} {0 CHEMBL1095035,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,43 1,52 7.222} {0 CHEMBL1095036,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,39 1,43 1,52 7.097} {0 CHEMBL1095356,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,43 1,52 7.523} {0 CHEMBL1095357,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,14 1,43 1,52 7.046} {0 CHEMBL1095358,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,10 1,43 1,52 7} {0 CHEMBL1095359,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,43 1,52 7.523} {0 CHEMBL1095360,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,43 1,52 7.398} {0 CHEMBL1095361,1 1,2 1,3 1,4 1,5 1,7 1,8 1,9 1,43 1,52 7.046} {0 CHEMBL1097824,1 1,2 1,3 1,4 1,5 1,6 1,7 1,8 1,9 1,34 1,43 1,52 6} {0 CHEMBL1098157,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,43 1,52 6} {0 CHEMBL1098158,1 1,2 1,3 1,4 1,5 1,6 1,7 1,9 1,43 1,52 6.699} {0 CHEMBL1164180,9 1,10 1,43 1,52 7} {0 CHEMBL1173655,2 1,9 1,10 1,43 1,52 5} {0 CHEMBL119385,2 1,5 1,9 1,15 1,26 1,52 5.2} {0 CHEMBL1230020,9 1,43 1,52 5} {0 CHEMBL1233887,4 1,9 1,52 5.4} {0 CHEMBL1236107,4 1,9 1,52 5} {0 CHEMBL1240703,2 1,9 1,16 1,52 5} {0 CHEMBL1241674,9 1,34 1,52 5} {0 CHEMBL124660,2 1,9 1,10 1,43 1,52 5.2} {0 CHEMBL1287853,9 1,10 1,52 5} {0 CHEMBL1289926,3 1,9 1,12 1,35 1,44 1,52 5} {0 CHEMBL1336,1 1,3 1,9 1,43 1,44 1,52 5.2} {0 CHEMBL1421,9 1,10 1,24 1,43 1,52 5.25} {0 CHEMBL1421720,9 1,43 1,52 5.7} {0 CHEMBL153843,9 1,43 1,52 5} {0 CHEMBL1614701,9 1,47 1,52 5} {0 CHEMBL162,2 1,9 1,44 1,52 6.376} {0 CHEMBL1684800,9 1,34 1,43 1,52 6.557} {0 CHEMBL1721885,9 1,10 1,43 1,52 5} {0 CHEMBL1765781,2 1,9 1,10 1,22 1,43 1,44 1,52 6} {0 CHEMBL1766529,4 1,9 1,43 1,52 5} {0 CHEMBL1784725,9 1,38 1,52 5} {0 CHEMBL1789941,9 1,10 1,47 1,52 5} {0 CHEMBL180022,4 1,5 1,9 1,10 1,43 1,52 5.076} {0 CHEMBL1802829,2 1,9 1,10 1,14 1,43 1,52 8.155} {0 CHEMBL1813632,2 1,5 1,9 1,29 1,43 1,52 7.298} {0 CHEMBL1822792,2 1,9 1,10 1,14 1,43 1,52 8.155} {0 CHEMBL1825138,9 1,34 1,52 5.5} {0 CHEMBL1834657,9 1,10 1,24 1,43 1,52 5.27} {0 CHEMBL1870106,9 1,34 1,46 1,52 5.4} {0 CHEMBL1879463,4 1,9 1,10 1,45 1,52 5.6} {0 CHEMBL189963,2 1,9 1,52 5.5} {0 CHEMBL1908391,9 1,10 1,43 1,46 1,52 5} {0 CHEMBL1908392,9 1,10 1,16 1,52 5} {0 CHEMBL1908393,1 1,2 1,3 1,4 1,5 1,9 1,10 1,43 1,52 8.523} {0 CHEMBL1908394,3 1,9 1,10 1,52 5} {0 CHEMBL1908395,9 1,10 1,32 1,43 1,52 5} {0 CHEMBL1908396,1 1,3 1,4 1,9 1,43 1,52 5.495} {0 CHEMBL1908397,9 1,12 1,52 6.092} {0 CHEMBL191003,9 1,31 1,34 1,52 7} {0 CHEMBL1922404,9 1,15 1,52 5} {0 CHEMBL1922405,9 1,15 1,52 5} {0 CHEMBL1929238,9 1,10 1,14 1,43 1,52 4.523} {0 CHEMBL1945559,9 1,10 1,13 1,52 5} {0 CHEMBL1949788,9 1,32 1,52 4.301} {0 CHEMBL1949789,9 1,32 1,52 4.301} {0 CHEMBL1949855,5 1,9 1,52 4.6} {0 CHEMBL1964382,9 1,52 5.4} {0 CHEMBL1964441,4 1,9 1,34 1,42 1,43 1,44 1,52 6.3} {0 CHEMBL1964444,4 1,9 1,43 1,52 5.6} {0 CHEMBL1964902,9 1,43 1,52 5.4} {0 CHEMBL1964948,9 1,10 1,43 1,52 5.4} {0 CHEMBL1965033,9 1,43 1,52 5.4} {0 CHEMBL1965169,9 1,52 5.4} {0 CHEMBL1965170,4 1,9 1,34 1,43 1,52 6.6} {0 CHEMBL1965387,9 1,12 1,34 1,43 1,52 5.4} {0 CHEMBL1965660,9 1,34 1,52 5.4} {0 CHEMBL1966175,9 1,10 1,18 1,52 5.6} {0 CHEMBL1967252,9 1,12 1,52 4.9} {0 CHEMBL1967336,4 1,9 1,17 1,43 1,52 5.4} {0 CHEMBL1967513,4 1,9 1,43 1,52 5.4} {0 CHEMBL1967878,9 1,10 1,43 1,52 8.4} {0 CHEMBL1967992,9 1,10 1,24 1,43 1,52 5.4} {0 CHEMBL1967998,9 1,10 1,12 1,37 1,52 6.3} {0 CHEMBL1968130,16 1,25 1,34 1,52 4.2} {0 CHEMBL1968705,9 1,10 1,12 1,37 1,43 1,46 1,52 5.5} {0 CHEMBL1968868,4 1,9 1,10 1,43 1,52 5.4} {0 CHEMBL1969151,9 1,10 1,43 1,52 7.1} {0 CHEMBL1969664,9 1,10 1,52 5.4} {0 CHEMBL1969942,9 1,12 1,43 1,52 5.4} {0 CHEMBL1970317,4 1,9 1,34 1,43 1,52 6.7} {0 CHEMBL1970340,34 1,52 4.7} {0 CHEMBL1970352,9 1,52 5.4} {0 CHEMBL1971223,9 1,43 1,52 5.4} {0 CHEMBL1971289,9 1,52 5.4} {0 CHEMBL1971519,12 1,34 1,52 4.2} {0 CHEMBL1971534,3 1,9 1,52 4.4} {0 CHEMBL1971606,9 1,24 1,52 5.4} {0 CHEMBL1971943,1 1,2 1,3 1,5 1,9 1,27 1,34 1,52 5.4} {0 CHEMBL1972220,4 1,9 1,31 1,34 1,43 1,52 7.5} {0 CHEMBL1972355,9 1,39 1,52 5.8} {0 CHEMBL1972462,9 1,10 1,34 1,52 5.4} {0 CHEMBL1972934,29 1,34 1,52 4.4} {0 CHEMBL1973013,9 1,43 1,52 5.8} {0 CHEMBL1973016,9 1,32 1,43 1,47 1,52 5.5} {0 CHEMBL1973138,9 1,11 1,43 1,52 5.4} {0 CHEMBL1973359,9 1,52 6.3} {0 CHEMBL1973363,9 1,39 1,43 1,52 5.5} {0 CHEMBL1973516,9 1,10 1,12 1,37 1,52 5.7} {0 CHEMBL1973720,9 1,43 1,52 7.2} {0 CHEMBL1973793,9 1,43 1,52 5.4} {0 CHEMBL1973868,4 1,24 1,52 5.4} {0 CHEMBL1973961,9 1,10 1,12 1,43 1,52 5.9} {0 CHEMBL1974328,3 1,9 1,43 1,52 6.7} {0 CHEMBL1974480,9 1,18 1,43 1,52 5.5} {0 CHEMBL1974574,9 1,34 1,52 5.4} {0 CHEMBL1974617,9 1,12 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