@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1293287

@attribute molecule_id {CHEMBL117121,CHEMBL1200883,CHEMBL1208858,CHEMBL1232381,CHEMBL1300040,CHEMBL1302748,CHEMBL1302799,CHEMBL1303339,CHEMBL1303641,CHEMBL1306708,CHEMBL1309068,CHEMBL1309448,CHEMBL1310158,CHEMBL1312403,CHEMBL1313831,CHEMBL1314272,CHEMBL1318510,CHEMBL1321530,CHEMBL1322645,CHEMBL1323662,CHEMBL1325192,CHEMBL1327785,CHEMBL1328504,CHEMBL1329496,CHEMBL1331010,CHEMBL1331195,CHEMBL1331762,CHEMBL1332522,CHEMBL1332860,CHEMBL1333250,CHEMBL1333860,CHEMBL1333989,CHEMBL1337599,CHEMBL1338143,CHEMBL1338911,CHEMBL1341102,CHEMBL1342373,CHEMBL1342644,CHEMBL1344703,CHEMBL1345866,CHEMBL1349451,CHEMBL1349596,CHEMBL1353338,CHEMBL1354431,CHEMBL1355072,CHEMBL1358613,CHEMBL1359900,CHEMBL1360013,CHEMBL1360535,CHEMBL1361615,CHEMBL1361924,CHEMBL1362746,CHEMBL1363026,CHEMBL1364419,CHEMBL1364530,CHEMBL1365476,CHEMBL1366394,CHEMBL1366556,CHEMBL1367036,CHEMBL1367989,CHEMBL1368701,CHEMBL1369287,CHEMBL1369585,CHEMBL1369972,CHEMBL1370322,CHEMBL1370456,CHEMBL1371792,CHEMBL1372672,CHEMBL1372920,CHEMBL1375130,CHEMBL1375264,CHEMBL1376516,CHEMBL1377807,CHEMBL1378134,CHEMBL1378294,CHEMBL1381946,CHEMBL1382246,CHEMBL1386534,CHEMBL1387366,CHEMBL1388069,CHEMBL1388543,CHEMBL1388661,CHEMBL1389301,CHEMBL1389865,CHEMBL1390206,CHEMBL1390912,CHEMBL1391773,CHEMBL1392848,CHEMBL1393633,CHEMBL1393761,CHEMBL1394552,CHEMBL1397114,CHEMBL1398001,CHEMBL1399533,CHEMBL1399939,CHEMBL1401226,CHEMBL1403262,CHEMBL1408792,CHEMBL1408874,CHEMBL1409608,CHEMBL1410739,CHEMBL1410800,CHEMBL1412077,CHEMBL1414359,CHEMBL1414864,CHEMBL1415720,CHEMBL1416701,CHEMBL1418096,CHEMBL1418432,CHEMBL1418754,CHEMBL1419164,CHEMBL1420311,CHEMBL1423359,CHEMBL1423690,CHEMBL1424188,CHEMBL1424237,CHEMBL1425837,CHEMBL1428810,CHEMBL1429269,CHEMBL1437947,CHEMBL1440160,CHEMBL1442125,CHEMBL1443120,CHEMBL1445625,CHEMBL1445779,CHEMBL1445827,CHEMBL1448906,CHEMBL1450467,CHEMBL1451796,CHEMBL1452296,CHEMBL1452571,CHEMBL1454203,CHEMBL1455530,CHEMBL1456397,CHEMBL1458111,CHEMBL1458192,CHEMBL1458448,CHEMBL1460004,CHEMBL1462480,CHEMBL1464261,CHEMBL1464398,CHEMBL1469359,CHEMBL1469797,CHEMBL1471509,CHEMBL1472131,CHEMBL1472879,CHEMBL1473205,CHEMBL1474602,CHEMBL1474759,CHEMBL1481849,CHEMBL1482383,CHEMBL1483555,CHEMBL1483950,CHEMBL1484277,CHEMBL1484627,CHEMBL1485551,CHEMBL1486421,CHEMBL1486690,CHEMBL1486869,CHEMBL1487402,CHEMBL1488626,CHEMBL1489113,CHEMBL1489159,CHEMBL1491402,CHEMBL1491750,CHEMBL1491847,CHEMBL1492019,CHEMBL1492044,CHEMBL1494656,CHEMBL1496705,CHEMBL1496797,CHEMBL1497035,CHEMBL1497597,CHEMBL1497642,CHEMBL1498210,CHEMBL1499996,CHEMBL1500686,CHEMBL1500754,CHEMBL1503093,CHEMBL1503134,CHEMBL1504972,CHEMBL1506810,CHEMBL1510317,CHEMBL1510721,CHEMBL1510798,CHEMBL1511114,CHEMBL1513972,CHEMBL1514082,CHEMBL1514152,CHEMBL1514790,CHEMBL1518886,CHEMBL1519475,CHEMBL1522277,CHEMBL1522563,CHEMBL1525340,CHEMBL1526165,CHEMBL1526622,CHEMBL1527008,CHEMBL1527356,CHEMBL1527972,CHEMBL1528271,CHEMBL1528386,CHEMBL1528985,CHEMBL1530087,CHEMBL1533557,CHEMBL1536626,CHEMBL1536835,CHEMBL1538176,CHEMBL1538650,CHEMBL1542526,CHEMBL1542837,CHEMBL1544313,CHEMBL1544339,CHEMBL1545021,CHEMBL1545734,CHEMBL1546527,CHEMBL1547938,CHEMBL1548770,CHEMBL1548876,CHEMBL1548928,CHEMBL1549566,CHEMBL1549982,CHEMBL1553368,CHEMBL1553406,CHEMBL1557185,CHEMBL1557186,CHEMBL1558968,CHEMBL1559626,CHEMBL1561847,CHEMBL1562133,CHEMBL1563,CHEMBL1565682,CHEMBL1568474,CHEMBL1569711,CHEMBL1570108,CHEMBL1571034,CHEMBL1571256,CHEMBL1571985,CHEMBL1572055,CHEMBL1572827,CHEMBL1574420,CHEMBL1575701,CHEMBL1576059,CHEMBL1576297,CHEMBL1577275,CHEMBL1577321,CHEMBL1578670,CHEMBL1578991,CHEMBL1582199,CHEMBL1584270,CHEMBL1584574,CHEMBL1586096,CHEMBL1586102,CHEMBL1587031,CHEMBL1587291,CHEMBL1588106,CHEMBL1588953,CHEMBL1591708,CHEMBL1591898,CHEMBL1594223,CHEMBL1596457,CHEMBL1596609,CHEMBL1597733,CHEMBL1598570,CHEMBL1598662,CHEMBL1598813,CHEMBL1602206,CHEMBL1604962,CHEMBL1605224,CHEMBL1605362,CHEMBL1605463,CHEMBL1605743,CHEMBL1607,CHEMBL1607933,CHEMBL1608181,CHEMBL1608223,CHEMBL1609236,CHEMBL1610752,CHEMBL1611041,CHEMBL1703958,CHEMBL1704902,CHEMBL1705738,CHEMBL1706025,CHEMBL1707076,CHEMBL1707833,CHEMBL1708021,CHEMBL1709883,CHEMBL1713654,CHEMBL1713873,CHEMBL1719363,CHEMBL1721855,CHEMBL1723816,CHEMBL1724937,CHEMBL1725771,CHEMBL1726318,CHEMBL1729450,CHEMBL1730051,CHEMBL1731146,CHEMBL1731264,CHEMBL1732485,CHEMBL1733182,CHEMBL1870739,CHEMBL1873186,CHEMBL1880132,CHEMBL1880442,CHEMBL1893003,CHEMBL1899126,CHEMBL1903746,CHEMBL1904073,CHEMBL1966241,CHEMBL1970896,CHEMBL1971127,CHEMBL1973159,CHEMBL1974537,CHEMBL1978101,CHEMBL1979061,CHEMBL1979800,CHEMBL1980281,CHEMBL1981990,CHEMBL1982108,CHEMBL1984581,CHEMBL1986183,CHEMBL1989158,CHEMBL1990694,CHEMBL1991601,CHEMBL1992490,CHEMBL1994036,CHEMBL1995565,CHEMBL1995720,CHEMBL1996133,CHEMBL2000039,CHEMBL2000525,CHEMBL2001792,CHEMBL2003887,CHEMBL2005518,CHEMBL2324201,CHEMBL2324202,CHEMBL2324203,CHEMBL2324204,CHEMBL2324205,CHEMBL2324206,CHEMBL2324207,CHEMBL2324208,CHEMBL2324209,CHEMBL2324210,CHEMBL2324211,CHEMBL2324212,CHEMBL2324213,CHEMBL2324214,CHEMBL2324215,CHEMBL2324216,CHEMBL2324217,CHEMBL2324218,CHEMBL2324219,CHEMBL2324220,CHEMBL250711,CHEMBL354349,CHEMBL372629,CHEMBL393287,CHEMBL395808,CHEMBL422692,CHEMBL496633,CHEMBL532160,CHEMBL589245,CHEMBL589694,CHEMBL597857,CHEMBL601385,CHEMBL857,CHEMBL86464}
@attribute H.050 numeric
@attribute nHDon numeric
@attribute CATS2D_08_DA numeric
@attribute ATSC8s numeric
@attribute Hy numeric
@attribute CATS2D_08_AP numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig11_EA.bo. numeric
@attribute DLS_07 numeric
@attribute P_VSA_MR_5 numeric
@attribute ATS8s numeric
@attribute DBI numeric
@attribute PHI numeric
@attribute Eig13_EA.bo. numeric
@attribute GGI9 numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_02_DP numeric
@attribute GGI8 numeric
@attribute S2K numeric
@attribute Uindex numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_03_DA numeric
@attribute Eig04_EA.dm. numeric
@attribute RBN numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig06_AEA.dm. numeric
@attribute S3K numeric
@attribute BAC numeric
@attribute SAdon numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig09_EA.dm. numeric
@attribute CATS2D_02_DA numeric
@attribute IC3 numeric
@attribute GGI10 numeric
@attribute DLS_02 numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute TIE numeric
@attribute IAC numeric
@attribute IDDE numeric
@attribute TIC0 numeric
@attribute LLS_02 numeric
@attribute Eig08_EA.dm. numeric
@attribute ON0V numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SsNH2 numeric
@attribute Eig07_EA.dm. numeric
@attribute S1K numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.v. numeric
@attribute TIC2 numeric
@attribute VvdwZAZ numeric
@attribute ATSC5s numeric
@attribute SpMin6_Bh.e. numeric
@attribute Chi1_EA.ed. numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig10_EA.dm. numeric
@attribute Eig11_EA.dm. numeric
@attribute Eta_F numeric
@attribute Eta_FL numeric
@attribute pXC50 numeric

@data
{1 1,2 1,3 1,4 52.214,5 -0.219,7 1.236,8 0.976,9 1,10 47.551,11 5.456,12 3.536,13 4.522,14 -0.913,15 0.143,18 0.182,19 6.601,20 39.43,22 1,24 3,25 2.586,26 1.843,27 3.931,28 18,29 18.011,32 1,33 4.712,34 0.115,35 1,36 54.88,37 83.12,38 52.312,39 66.245,40 3.768,41 66.245,42 1,44 6.162,45 2.715,46 0.876,47 1.163,48 1.171,51 16.442,52 2.796,53 2.842,54 2.652,55 2.714,56 1.062,57 0.597,58 0.558,59 0.874,60 146.709,61 270.33,62 83.904,63 0.94,64 4.425,65 1.5,68 25.149,69 6.791,70 5.273}
{0 CHEMBL1200883,4 44.824,5 -0.859,7 1.5,8 1.5,9 0.5,10 72.725,11 6.166,12 5.431,13 16.378,14 1.136,15 0.212,18 0.295,19 19.291,20 98.497,23 0.172,24 22,25 2.477,26 1.908,27 14.645,28 38,33 4.39,34 0.144,35 0.67,36 38.25,37 38.25,38 94.468,39 114.193,40 4.865,41 114.193,42 0.75,44 17.1,45 3.441,46 1.555,47 1.808,48 1.846,51 31.413,52 3.463,53 3.541,54 3.397,55 3.471,56 1.682,57 1.375,58 1.301,59 1.626,60 361.913,61 553.91,62 35.345,63 1.626,64 7.772,65 1.514,68 23.531,69 5.833,70 4.268}
{0 CHEMBL1208858,4 71.979,5 -0.77,7 2.319,8 2.081,9 1,10 26.263,11 6.267,12 3.873,13 9.894,14 1.623,15 0.582,18 0.654,19 13.38,20 63.482,24 9,25 2.942,26 2.885,27 7.495,28 37,33 4.699,34 0.302,35 0.67,36 18.04,37 18.04,38 75.933,39 101.437,40 4.672,41 101.437,42 0.63,44 11.307,45 3.254,46 1.415,47 1.667,48 1.658,51 29.579,52 3.175,53 3.218,54 3.06,55 3.098,56 1.459,57 1.049,58 1.007,59 1.236,60 254.736,61 514.97,62 51.492,63 1.47,64 7.449,65 2.509,68 43.419,69 10.403,70 4.262}
{0 CHEMBL1232381,1 3,2 3,3 1,4 39.298,5 1.378,7 -1.207,8 -1.421,9 1,10 57.519,11 4.91,12 3.082,13 4.887,14 -1.855,15 0.089,16 1,18 0.123,19 5.957,20 31.609,21 1,24 6,25 1.794,26 1.043,27 4.514,28 23,29 78.705,32 3,33 4.415,35 1,36 78.43,37 78.43,38 36.58,39 51.432,40 3.19,41 51.432,42 1,44 5.7,45 2.373,46 0.605,47 1.067,48 1.084,51 12.304,52 2.388,53 2.547,54 2.354,55 2.46,56 0.837,57 0.161,58 0.01,59 0.66,60 127.71,61 212.29,62 62.504,63 0.701,64 2.879,65 -0.888,68 7.117,69 2.16,70 5.119}
{0 CHEMBL1300040,1 1,2 1,4 17.166,5 -0.338,7 0.613,8 -0.176,9 1,10 25.611,11 4.895,12 2.828,13 3.93,14 -1.091,15 0.105,18 0.092,19 5.86,20 32.314,21 1,24 3,25 2.315,26 1.574,27 2.788,28 11,29 42.683,33 4.628,34 0.058,35 1,36 41.82,37 70.06,38 28.418,39 56.027,40 4.071,41 56.027,42 1,44 7.15,45 2.81,46 0.941,47 1.062,48 1.107,51 14.083,52 2.854,53 2.925,54 2.765,55 2.849,56 1.034,57 0.772,58 0.698,59 1.009,60 146.608,61 258.85,62 30.206,63 0.956,64 3.886,65 0.951,68 18.763,69 5.871,70 4.729}
{0 CHEMBL1302748,1 3,2 3,4 15.964,5 0.979,7 0.612,9 1,11 5.056,12 2.236,13 3.172,14 -0.531,15 0.111,16 3,18 0.201,19 5.195,20 29.823,22 1,24 2,25 2.272,26 1.982,27 2.225,28 6,29 78.705,33 4.649,34 0.049,35 1,36 53.52,37 53.52,38 26.274,39 56.363,40 3.664,41 56.363,42 1,44 6.95,45 2.807,46 0.87,47 1.093,48 1.087,51 13.431,52 2.764,53 2.836,54 2.684,55 2.772,56 0.982,57 0.693,58 0.642,59 0.937,60 154.137,61 256.28,62 34.998,63 0.903,64 4.086,65 1.595,68 21.899,69 6.526,70 4.262}
{0 CHEMBL1302799,1 1,2 1,4 32.255,5 -0.301,7 1,8 0.95,9 1,10 80.159,11 5.382,12 3.317,13 5.951,14 -0.228,15 0.131,18 0.141,19 8.367,20 39.359,23 0.8,24 4,25 2.568,26 2.222,27 4.631,28 6,29 18.011,32 1,33 4.544,34 0.07,35 1,36 78.5,37 78.5,38 45.323,39 72.455,40 3.47,41 72.455,42 1,44 8.233,45 2.91,46 1.064,47 1.376,48 1.429,51 17.07,52 3.111,53 3.206,54 2.888,55 2.942,56 1.376,57 1.077,58 1.043,59 1.304,60 199.092,61 315.51,62 69.854,63 1.153,64 4.773,65 1,68 18.06,69 4.821,70 5.094}
{0 CHEMBL1303339,1 1,2 1,4 54.238,5 -0.358,7 1.5,8 1.5,9 1,10 52.267,11 5.738,12 3.464,13 4.023,14 0.677,15 0.207,16 1,18 0.305,19 6.456,20 37.615,21 1,23 0.736,24 4,25 2.792,26 2.618,27 2.854,28 10,29 18.011,30 0.447,32 1,33 5.217,34 0.102,35 1,36 71.53,37 71.53,38 54.623,39 75.265,40 4.236,41 75.265,42 0.88,44 8.983,45 2.977,46 1.19,47 1.456,48 1.444,50 0.079,51 17.449,52 3.025,53 3.083,54 2.854,55 2.925,56 1.325,57 0.937,58 0.887,59 1.186,60 236.101,61 341.17,62 88.653,63 1.228,64 5.251,65 1.679,68 26.734,69 6.912,70 4.262}
{0 CHEMBL1303641,1 2,2 2,4 39.743,5 0.233,7 1.246,8 0.971,9 1,10 11.377,11 5.34,12 3.082,13 4.059,14 -0.172,15 0.112,18 0.156,19 6.376,20 35.588,22 1,24 5,25 2.582,26 2.061,27 2.536,28 15,29 60.694,32 1,33 4.908,34 0.07,35 1,36 71.45,37 71.45,38 43.094,39 65.077,40 4.294,41 65.077,42 1,44 8.067,45 2.942,46 1.097,47 1.335,48 1.321,51 15.915,52 2.921,53 2.982,54 2.867,55 2.956,56 1.165,57 0.864,58 0.764,59 1.092,60 193.413,61 297.03,62 52.072,63 1.169,64 4.887,65 1.596,68 26.128,69 6.901,70 4.262}
{0 CHEMBL1306708,4 20.552,5 -0.795,7 -1,8 -1.264,9 1,10 67.349,11 4.421,12 3.162,13 4.537,14 -2.254,15 0.04,18 0.09,19 6.193,20 34.815,23 0.172,24 3,25 2.46,26 1.505,27 3.743,28 25,33 4.162,34 0.033,35 1,36 52.51,37 52.51,38 25.646,39 37.468,40 3.375,41 37.468,42 1,44 4.933,45 2.713,46 0.692,47 1.029,48 1.008,51 11.723,52 2.673,53 2.781,54 2.266,55 2.37,56 0.963,57 0.262,58 0.166,59 0.581,60 106.382,61 230.34,62 24.06,63 0.754,64 2.993,65 -0.574,68 14.056,69 4.749,70 4.982}
{0 CHEMBL1309068,4 76.361,5 -0.74,7 1.136,8 0.048,9 1,11 5.662,12 3.606,13 4.451,14 -0.624,15 0.118,18 0.174,19 6.537,20 39.486,24 4,25 2.588,26 2.231,27 4.076,28 19,33 4.715,34 0.065,35 1,36 73.58,37 81.96,38 49.038,39 59.45,40 4.054,41 59.45,42 1,44 7.167,45 2.752,46 0.844,47 1.087,48 1.107,51 16.342,52 2.854,53 2.925,54 2.775,55 2.83,56 1.062,57 0.827,58 0.772,59 1.044,60 154.402,61 299.78,62 58.671,63 0.886,64 4.476,65 1.5,68 25.846,69 7.055,70 4.252}
{0 CHEMBL1309448,1 2,2 2,4 44.679,5 0.16,7 1.349,8 1.223,9 1,10 47.248,11 5.824,12 3.391,13 6.377,14 0.604,15 0.25,16 3,18 0.342,19 8.986,20 44.995,21 1,22 1,24 7,25 2.858,26 1.997,27 4.574,28 11,29 59.469,33 5.052,34 0.118,35 1,36 48.49,37 48.49,38 49.238,39 84.842,40 4.306,41 84.842,42 1,44 10.376,45 2.981,46 1.107,47 1.456,48 1.465,51 20.579,52 3.111,53 3.206,54 3.109,55 3.197,56 1.376,57 1.096,58 1.026,59 1.393,60 263.498,61 377.93,62 64.946,63 1.177,64 5.343,65 1.5,68 21.797,69 6.257,70 4.553}
{0 CHEMBL1310158,1 2,2 2,4 44.561,5 0.225,7 1.849,8 1.655,9 1,10 42.101,11 5.659,12 3.082,13 5.353,14 1.433,15 0.183,16 2,18 0.26,19 8.445,20 43.794,22 1,24 4,25 2.694,26 2.271,27 4.015,28 5,29 60.694,32 2,33 5.336,34 0.163,35 1,36 105.82,37 105.82,38 50.812,39 83.921,40 4.761,41 83.921,42 0.75,44 9.533,45 3.139,46 1.186,47 1.491,48 1.449,51 19.652,52 3.25,53 3.335,54 3.049,55 3.096,56 1.385,57 0.993,58 0.944,59 1.206,60 251.315,61 355.6,62 61.085,63 1.229,64 6.07,65 1.913,68 32.069,69 8.196,70 4.252}
{0 CHEMBL1312403,1 2,2 2,4 106.805,5 0.342,7 1.5,8 1.476,9 1,10 33.098,11 5.76,12 4.062,13 5.826,14 1,15 0.261,16 1,18 0.321,19 8.382,20 47.251,21 2,23 0.149,24 5,25 2.887,26 2.51,27 4.113,28 27,29 60.694,32 2,33 5.028,34 0.218,35 0.83,36 129.56,37 166.18,38 81.975,39 90.699,40 4.031,41 90.699,42 0.88,44 8.467,45 3.067,46 1.092,47 1.385,48 1.386,51 20.853,52 3.207,53 3.243,54 3.111,55 3.206,56 1.376,57 0.95,58 0.943,59 1.156,60 219.672,61 356.33,62 170.257,63 1.15,64 5.365,65 1.909,68 32.137,69 7.495,70 4.501}
{0 CHEMBL1313831,1 3,2 3,3 1,4 42.382,5 1.012,7 1.5,8 0.788,9 1,10 68.246,11 5.428,12 3.937,13 5.416,14 0.134,15 0.162,16 3,18 0.222,19 7.911,20 44.774,22 3,23 0.313,24 6,25 2.9,26 2.242,27 4.55,28 19,29 52.685,30 0.149,32 2,33 4.708,34 0.077,35 1,36 113.18,37 113.18,38 52.052,39 71.419,40 4.239,41 71.419,42 1,44 7.783,45 2.861,46 0.936,47 1.279,48 1.238,51 17.799,52 2.913,53 2.985,54 2.854,55 2.925,56 1.14,57 0.886,58 0.821,59 1.107,60 177.722,61 302.94,62 74.87,63 0.99,64 4.955,65 1.534,68 27.595,69 7.65,70 4.262}
{0 CHEMBL1314272,1 2,2 2,4 93.244,5 0.296,7 1.263,8 0.867,9 1,10 54.027,11 6.047,12 4,13 6.213,14 0.641,15 0.231,16 1,18 0.36,19 8.846,20 44.419,22 1,24 9,25 3.277,26 2.666,27 5.801,28 17,29 36.022,32 2,33 4.604,34 0.166,35 1,36 84.23,37 109.53,38 78.244,39 92.006,40 4.651,41 92.006,42 1,44 8.819,45 3.083,46 1.064,47 1.376,48 1.429,51 20.367,52 3.058,53 3.101,54 2.896,55 2.956,56 1.376,57 0.971,58 0.947,59 1.229,60 219.438,61 354.86,62 102.602,63 1.153,64 5.359,65 1.736,68 24.88,69 5.874,70 4.262}
{0 CHEMBL1318510,1 1,2 1,4 37.867,5 -0.338,7 0.311,8 -0.273,9 1,10 34.856,11 5.189,12 3.162,13 5.918,14 -1,15 0.066,16 2,18 0.136,19 7.692,20 39.066,22 1,23 0.079,24 5,25 2.178,26 1.662,27 4.371,28 22,29 42.683,33 4.698,34 0.037,35 1,36 43.78,37 43.78,38 45.852,39 65.367,40 3.785,41 65.367,42 1,44 8.6,45 2.825,46 0.821,47 1.239,48 1.308,51 16.155,52 2.874,53 3.009,54 2.854,55 2.925,56 1.162,57 0.867,58 0.761,59 1.107,60 197.191,61 296.06,62 75.206,63 0.934,64 3.924,65 0.371,68 14.106,69 3.945,70 4.262}
{0 CHEMBL1321530,4 126.123,5 -0.545,7 -0.969,8 -1.329,9 1,10 11.804,11 4.804,12 3.873,13 4.746,14 -1.735,19 6.074,20 41.026,23 0.729,24 6,25 2.721,26 1.461,27 3.03,28 51,30 0.211,33 3.896,35 1,36 111.31,37 111.31,38 58.019,39 50.658,40 3.239,41 50.658,42 1,44 5.733,45 2.457,46 0.559,47 0.968,48 0.872,51 14.063,52 2.648,53 2.724,54 2.531,55 2.558,56 0.863,57 0.407,58 0.388,59 0.673,60 107.096,61 217.2,62 101.645,63 0.57,64 3,65 -0.132,68 19.426,69 5.28,70 4.262}
{0 CHEMBL1322645,1 1,2 1,4 154.62,5 -0.365,7 2.063,8 1.832,9 1,10 58.717,11 6.488,12 4.243,13 7.995,14 1.527,15 0.467,18 0.551,19 11.188,20 64.132,23 1.109,24 8,25 3.13,26 2.794,27 6.207,28 55,29 18.011,30 0.771,32 2,33 5.176,34 0.433,35 0.67,36 53.93,37 53.93,38 104.051,39 103.703,40 4.811,41 103.703,42 0.75,44 11.721,45 3.111,46 1.188,47 1.55,48 1.553,50 0.359,51 26.44,52 3.231,53 3.303,54 3.153,55 3.224,56 1.416,57 1.13,58 1.064,59 1.367,60 273.571,61 454,62 133.359,63 1.247,64 6.735,65 2.082,68 44.937,69 9.883,70 4.262}
{0 CHEMBL1323662,1 2,2 2,4 24.31,5 0.321,7 1.083,8 0.263,9 1,10 52.646,11 5.19,12 3,13 4.582,14 -0.523,15 0.14,18 0.181,19 6.797,20 36.984,21 1,24 3,25 2.465,26 1.899,27 3.513,28 10,29 60.572,32 1,33 4.879,34 0.091,35 1,36 74.58,37 74.58,38 38.791,39 60.264,40 4.437,41 60.264,42 1,44 6.243,45 2.728,46 0.789,47 1.065,48 1.065,51 15.504,52 2.775,53 2.836,54 2.737,55 2.776,56 0.944,57 0.69,58 0.642,59 0.936,60 151.119,61 276.34,62 38.306,63 0.846,64 4.375,65 1.485,68 22.544,69 6.728,70 4.262}
{0 CHEMBL1325192,4 42.308,5 -0.836,7 1.692,8 1.5,9 1,10 47.148,11 5.959,12 3.808,13 7.32,14 1.143,15 0.414,18 0.435,19 10.183,20 51.552,24 8,25 2.874,26 2.257,27 5.264,28 27,33 4.877,34 0.174,35 1,36 44.34,37 44.34,38 61.032,39 91.766,40 4.75,41 91.766,42 1,44 13.033,45 3.239,46 1.311,47 1.609,48 1.598,51 23.005,52 3.177,53 3.262,54 3.15,55 3.235,56 1.434,57 1.15,58 1.077,59 1.431,60 293.985,61 422.09,62 65.9,63 1.351,64 6.045,65 1.994,68 26.443,69 6.4,70 4.262}
{0 CHEMBL1327785,4 38.106,5 -0.737,7 1.778,8 1.5,9 1,10 30.071,11 5.974,12 3.606,13 6.738,14 1.5,15 0.257,18 0.317,19 10.416,20 51.689,24 8,25 2.625,26 2.139,27 4.748,28 10,33 4.331,34 0.261,35 0.5,36 90.44,37 90.44,38 45.58,39 87.576,40 3.929,41 87.576,42 0.63,44 11.55,45 3.316,46 1.256,47 1.584,48 1.638,51 22.64,52 3.306,53 3.407,54 3.117,55 3.177,56 1.455,57 1.034,58 0.963,59 1.316,60 228.581,61 404.1,62 52.126,63 1.351,64 6.818,65 2.013,68 40.808,69 10.143,70 4.252}
{0 CHEMBL1328504,1 2,2 2,4 38.287,5 0.425,7 -0.045,8 -0.305,9 1,10 18.011,11 5.161,12 3.24,13 4.525,14 -1.262,15 0.106,18 0.188,19 6.348,20 39.332,21 1,24 4,25 2.702,26 1.926,27 3.565,28 30,29 60.694,32 1,33 4.43,34 0.078,35 1,36 104.38,37 104.38,38 53.869,39 56.533,40 3.821,41 56.533,42 1,44 6.15,45 2.715,46 0.821,47 1.062,48 1.107,51 14.97,52 2.778,53 2.847,54 2.735,55 2.755,56 0.978,57 0.55,58 0.524,59 0.921,60 130.549,61 249.07,62 88.194,63 0.886,64 3.705,65 0.633,68 23.423,69 6.567,70 4.262}
{0 CHEMBL1329496,1 2,2 2,3 1,4 30.103,5 0.273,7 1.5,8 1.07,9 1,10 21.135,11 5.4,12 2.739,13 5.071,15 0.166,16 4,18 0.177,19 7.6,20 41.875,23 0.4,24 4,25 2.659,26 1.867,27 3.845,28 10,29 36.022,30 0.113,32 3,33 4.384,34 0.111,35 1,36 83.96,37 83.96,38 53.799,39 64.053,40 4.244,41 64.053,42 1,44 7.033,45 2.828,46 0.87,47 1.229,48 1.165,51 16.681,52 2.854,53 2.925,54 2.854,55 2.925,56 1.062,57 0.886,58 0.821,59 1.107,60 150.148,61 308.71,62 52.751,63 0.907,64 4.931,65 1.5,68 28.078,69 7.761,70 4.252}
{0 CHEMBL1331010,1 2,2 2,3 1,4 152.152,5 0.162,7 2.37,8 1.886,9 1,10 66.238,11 6.475,12 4.796,13 8.673,14 1.5,15 0.447,18 0.685,19 12.138,20 70.522,21 1,22 1,23 1.197,24 9,25 3.532,26 2.94,27 6.294,28 75,29 36.022,30 0.86,31 0.149,32 2,33 5.256,34 0.299,35 0.67,36 126.81,37 126.81,38 119.14,39 107.431,40 4.702,41 107.431,42 0.75,43 0.357,44 13.067,45 3.29,46 1.384,47 1.684,48 1.649,50 0.45,51 27.868,52 3.361,53 3.419,54 3.247,55 3.304,56 1.567,57 1.182,58 1.12,59 1.499,60 315.355,61 487.9,62 135.714,63 1.422,64 6.993,65 2.58,66 0.127,68 49.335,69 10.843,70 4.262}
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{0 CHEMBL1331762,1 3,2 3,3 1,4 124.358,5 0.962,7 2.246,8 1.5,9 0.5,10 33.925,11 5.91,12 3.937,13 7.401,14 1.401,15 0.282,16 1,18 0.452,19 10.318,20 59.868,21 1,22 1,23 0.4,24 7,25 3.309,26 2.867,27 5.638,28 51,29 52.426,30 0.113,32 6,33 5.147,34 0.222,35 0.67,36 155.91,37 192.53,38 103.851,39 105.578,40 4.629,41 105.578,42 0.75,44 9.66,45 3.091,46 1.112,47 1.423,48 1.391,51 25.104,52 3.239,53 3.271,54 3.084,55 3.098,56 1.267,57 0.907,58 0.874,59 1.148,60 247.668,61 420.22,62 128.647,63 1.153,64 6.15,65 2.31,68 42.891,69 9.575,70 4.262}
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{0 CHEMBL1332860,1 2,2 2,3 3,4 49.689,5 0.337,7 0.636,8 0.312,9 1,10 34.796,11 5.427,12 2.55,13 4.603,14 -0.492,15 0.143,18 0.222,19 6.673,20 39.291,22 1,23 0.449,24 3,25 3.118,26 2.395,27 3.328,28 27,29 74.355,32 1,33 4.865,34 0.091,35 1,36 75.31,37 103.55,38 54.984,39 68.402,40 4.252,41 68.402,42 1,44 6.96,45 2.715,46 0.821,47 1.108,48 1.107,51 16.555,52 2.854,53 2.925,54 2.825,55 2.858,56 1.062,57 0.774,58 0.714,59 1.011,60 164.343,61 292.97,62 68.459,63 0.886,64 4.245,65 1.5,68 25.246,69 6.802,70 4.532}
{0 CHEMBL1333250,1 2,2 2,4 64.058,5 0.296,7 1.691,8 1.555,9 1,10 1.519,11 5.661,12 3.742,13 5.088,14 0.892,15 0.239,16 3,18 0.289,19 7.559,20 44.651,21 1,24 5,25 3.444,26 2.624,27 3.745,28 27,29 59.088,32 3,33 4.97,34 0.164,35 1,36 105.47,37 142.09,38 71.824,39 77.978,40 4.513,41 77.978,42 1,44 7.65,45 3.065,46 1.12,47 1.389,48 1.357,51 19.521,52 2.882,53 2.929,54 2.865,55 2.926,56 1.043,57 0.863,58 0.806,59 1.042,60 172.7,61 346.35,62 129.912,63 1.119,64 5.233,65 2.022,68 35.598,69 8.519,70 5.677}
{0 CHEMBL1333860,4 34.838,5 -0.778,7 1.463,8 1.334,9 1,10 43.009,11 5.663,12 4.743,13 7.372,14 0.472,15 0.191,18 0.346,19 9.731,20 62.092,23 0.8,24 7,25 2.982,26 2.472,27 5.701,28 54,30 0.616,33 4.696,34 0.149,35 1,36 73.64,37 73.64,38 76.364,39 77.634,40 3.995,41 77.634,42 1,44 10.517,45 3.028,46 1.155,47 1.508,48 1.539,51 21.212,52 2.939,53 3.009,54 2.874,55 2.961,56 1.239,57 0.886,58 0.821,59 1.112,60 210.725,61 372.97,62 91.09,63 1.249,64 4.966,65 1.5,68 31.498,69 7.851,70 4.67}
{0 CHEMBL1333989,1 3,2 3,3 3,4 58.456,5 0.94,7 1.5,8 1.5,9 1,10 53.672,11 5.761,12 4.472,13 7.358,14 1.026,15 0.307,16 1,18 0.244,19 9.984,20 58.781,21 1,22 1,24 6,25 2.809,26 2.541,27 6.838,28 37,29 52.426,32 4,33 5.133,34 0.091,35 0.83,36 113.33,37 153.8,38 74.151,39 92.616,40 4.478,41 92.616,42 1,44 9.617,45 3.174,46 1.217,47 1.465,48 1.484,51 22.845,52 3.088,53 3.158,54 3.013,55 3.098,56 1.354,57 1.024,58 0.988,59 1.253,60 231.255,61 389.22,62 88.791,63 1.26,64 5.694,65 2.139,68 35.255,69 8.789,70 5.013}
{0 CHEMBL1337599,1 1,2 1,4 107.218,5 -0.329,7 1.572,8 1.5,9 1,10 31.748,11 6.085,12 3.391,13 6.558,14 1,15 0.178,16 1,18 0.316,19 9.69,20 49.492,21 1,22 1,23 0.657,24 6,25 2.812,26 2.337,27 5.078,28 11,29 18.011,30 0.293,33 4.926,34 0.148,35 1,36 94.29,37 94.29,38 59.772,39 86.316,40 4.349,41 86.316,42 1,44 9.55,45 3.072,46 1.152,47 1.482,48 1.485,51 20.978,52 3.168,53 3.206,54 3.111,55 3.2,56 1.376,57 1.059,58 1.032,59 1.294,60 230.79,61 376.65,62 86.816,63 1.203,64 6.03,65 1.851,68 34.441,69 8.947,70 4.262}
{0 CHEMBL1338143,1 1,2 1,4 55.794,5 -0.288,7 1.313,8 1,9 1,10 48.376,11 5.611,12 2.449,13 5.134,14 0.862,15 0.225,18 0.26,19 7.718,20 42.385,23 0.86,24 3,25 3.142,26 2.516,27 3.678,28 17,29 18.011,30 0.8,32 3,33 4.985,34 0.149,35 1,36 97.54,37 97.54,38 60.319,39 77.552,40 4.28,41 77.552,42 1,44 8.817,45 2.985,46 1.128,47 1.418,48 1.46,51 18.627,52 3.111,53 3.201,54 3.073,55 3.094,56 1.376,57 0.931,58 0.91,59 1.161,60 216.801,61 336.51,62 71.498,63 1.207,64 5.262,65 1.867,68 29.811,69 7.518,70 4.516}
{0 CHEMBL1338911,1 3,2 3,3 1,4 51.854,5 1.05,7 1.5,8 1.136,9 1,10 69.847,11 5.486,12 4,13 5.321,14 -0.295,15 0.226,18 0.272,19 7.497,20 44.451,22 1,24 6,25 2.898,26 2.023,27 4.268,28 28,29 49.18,32 3,33 4.967,34 0.1,35 1,36 106.55,37 114.93,38 58.385,39 78.815,40 4.133,41 78.815,42 1,44 7.126,45 2.879,46 0.953,47 1.294,48 1.29,49 5.263,51 18.453,52 2.855,53 2.925,54 2.854,55 2.921,56 1.062,57 0.813,58 0.748,59 1.053,60 183.66,61 313.21,62 76.384,63 1.015,64 4.72,65 1.639,68 28.354,69 7.332,70 4.262}
{0 CHEMBL1341102,1 1,2 1,4 146.377,5 -0.316,7 1.925,8 1.833,9 1,10 52.119,11 6.247,12 4.472,13 7.528,14 1,15 0.308,16 2,18 0.436,19 10.274,20 59.931,23 0.86,24 6,25 3.194,26 2.615,27 5.096,28 74,29 18.011,30 0.555,32 1,33 5.211,34 0.239,35 0.67,36 105.25,37 113.63,38 101.04,39 108.989,40 4.651,41 108.989,42 0.75,44 12.983,45 3.178,46 1.266,47 1.572,48 1.579,50 0.149,51 25.645,52 3.302,53 3.343,54 3.247,55 3.314,56 1.523,57 1.191,58 1.115,59 1.517,60 324.401,61 452.95,62 150.673,63 1.32,64 5.887,65 2.057,68 36.999,69 8.088,70 4.262}
{0 CHEMBL1342373,1 1,2 1,3 1,4 31.153,5 -0.341,7 1.573,8 1.507,9 1,10 66.364,11 5.8,12 3.162,13 5.752,14 1.5,15 0.252,16 1,18 0.358,19 9.144,20 45.472,21 1,24 5,25 2.737,26 2.186,27 4.474,28 2,29 17.888,32 1,33 5.069,34 0.165,35 1,36 90.63,37 90.63,38 45.17,39 82.179,40 4.75,41 82.179,42 0.88,44 9.217,45 3.117,46 1.136,47 1.511,48 1.469,51 20.13,52 3.022,53 3.068,54 2.911,55 2.95,56 1.371,57 0.886,58 0.821,59 1.107,60 229.32,61 365.41,62 47.504,63 1.208,64 6.475,65 1.898,68 36.531,69 9.706,70 4.262}
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{0 CHEMBL1349451,1 1,2 1,3 1,4 23.787,5 -0.238,7 1.071,8 1.038,9 1,10 30.267,11 5.139,12 2.646,13 4.444,14 0.302,15 0.181,18 0.195,19 6.881,20 36.182,22 1,24 5,25 2.612,26 1.933,27 3.263,28 9,29 18.011,32 3,33 4.561,34 0.061,35 1,36 82.3,37 110.54,38 27.854,39 70.586,40 4.244,41 70.586,42 1,44 7.85,45 2.95,46 0.984,47 1.329,48 1.281,51 16.148,52 2.854,53 2.925,54 2.786,55 2.856,56 1.215,57 0.917,58 0.876,59 1.107,60 160.215,61 274.74,62 27.329,63 1.037,64 4.691,65 1.5,68 24.371,69 7.398,70 4.252}
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{0 CHEMBL1364419,1 1,2 1,3 1,4 37.664,5 -0.256,7 1,8 0.753,9 1,10 60.107,11 5.376,12 3.24,13 6.568,14 0.021,15 0.172,18 0.214,19 8.89,20 44.673,23 0.86,24 6,25 2.985,26 2.406,27 5.229,28 17,29 18.011,30 0.172,32 1,33 4.765,34 0.149,35 1,36 72.28,37 97.58,38 43.042,39 84.529,40 4.133,41 84.529,42 1,44 10.05,45 2.958,46 1.104,47 1.42,48 1.472,51 19.21,52 3.111,53 3.206,54 3.099,55 3.191,56 1.376,57 1.139,58 1.059,59 1.408,60 236.274,61 336.33,62 51.012,63 1.191,64 4.939,65 1.435,68 20.628,69 5.884,70 4.252}
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{0 CHEMBL1376516,1 3,2 3,3 1,4 74.346,5 0.792,6 1,7 1.78,8 1.5,9 1,10 85.703,11 6.177,12 3.606,13 8.209,14 1.398,15 0.254,16 2,17 1,18 0.512,19 11.515,20 59.292,23 1.087,24 9,25 2.969,26 2.642,27 5.919,28 32,29 50.908,30 0.86,32 2,33 5.324,34 0.173,35 0.83,36 95.17,37 95.17,38 70.19,39 98.427,40 4.901,41 98.427,42 0.88,44 11.426,45 3.077,46 1.143,47 1.51,48 1.528,49 6.137,51 24.953,52 3.24,53 3.289,54 3.21,55 3.251,56 1.429,57 1.107,58 1.046,59 1.371,60 287.736,61 445.21,62 63.586,63 1.196,64 6.636,65 2.057,68 39.976,69 9.543,70 4.327}
{0 CHEMBL1377807,1 1,2 1,3 2,4 25.866,5 -0.256,7 1,8 0.953,9 1,10 52.513,11 5.373,12 3.162,13 4.763,14 0.383,15 0.187,18 0.233,19 7.193,20 38.114,22 3,23 0.655,24 4,25 2.711,26 2.059,27 3.172,28 16,29 16.786,30 0.13,33 4.714,34 0.111,35 1,36 83.58,37 83.58,38 35.825,39 77.404,40 4.393,41 77.404,42 1,44 9.133,45 2.922,46 1.064,47 1.376,48 1.429,51 17.218,52 3.111,53 3.206,54 3.038,55 3.132,56 1.36,57 0.996,58 0.906,59 1.272,60 212.801,61 300.71,62 58.955,63 1.153,64 4.835,65 1.396,68 24.202,69 6.695,70 5.039}
{0 CHEMBL1378134,1 1,2 1,4 70.447,5 -0.155,7 0.498,8 -0.245,9 1,10 26.836,11 5.018,12 3.536,13 3.618,14 -1.096,15 0.114,16 2,18 0.288,19 5.253,20 36.779,24 2,25 2.871,26 1.96,27 2.48,28 39,29 18.011,32 1,33 4.079,34 0.046,35 1,36 100.62,37 117.38,38 64.936,39 67.593,40 3.567,41 67.593,42 1,44 6.533,45 2.715,46 0.821,47 1.104,48 1.119,51 15.841,52 2.854,53 2.925,54 2.74,55 2.795,56 1.062,57 0.744,58 0.687,59 1.001,60 126.77,61 276.37,62 159.416,63 0.886,64 3.922,65 1.5,68 27.872,69 6.629,70 4.262}
{0 CHEMBL1378294,1 1,2 1,3 1,4 30.062,5 -0.356,7 1.389,8 1.19,9 1,10 8.755,11 5.27,12 2.236,13 3.287,14 0.012,15 0.152,18 0.182,19 5.532,20 32.104,24 1,25 2.705,26 2.282,27 2.401,28 5,29 42.683,33 5.037,34 0.062,35 1,36 63.33,37 91.57,38 35.778,39 60.122,40 4.214,41 60.122,42 0.88,44 7.067,45 2.808,46 0.964,47 1.149,48 1.138,51 14.852,52 2.818,53 2.862,54 2.729,55 2.77,56 1.067,57 0.678,58 0.646,59 0.914,60 167.77,61 289.54,62 29.544,63 0.958,64 4.74,65 1.976,68 24.129,69 6.801,70 4.262}
{0 CHEMBL1381946,1 1,2 1,4 138.013,5 -0.25,7 1.583,8 1.192,9 1,10 57.242,11 6.063,12 3.808,13 4.681,14 0.874,15 0.268,18 0.566,19 7.258,20 41.311,21 1,23 0.532,24 3,25 3.007,26 2.542,27 3.563,28 18,29 18.011,32 1,33 4.943,34 0.119,35 1,36 77.75,37 77.75,38 66.424,39 87.63,40 4.507,41 87.63,42 0.88,44 8.529,45 2.925,46 1.129,47 1.519,48 1.485,51 19.347,52 3.056,53 3.117,54 2.869,55 2.979,56 1.366,57 0.919,58 0.856,59 1.2,60 214.311,61 327.52,62 103.78,63 1.162,64 5.485,65 2.02,68 31.554,69 7.184,70 4.262}
{0 CHEMBL1382246,1 1,2 1,4 58.042,5 -0.412,7 1.855,8 1.615,9 1,10 55.83,11 5.798,12 3.317,13 5.839,14 1.362,15 0.208,16 4,18 0.223,19 8.794,20 48.173,22 2,23 0.293,24 5,25 2.974,26 2.716,27 3.996,28 26,29 18.011,33 5.176,34 0.194,35 1,36 69.72,37 69.72,38 68.905,39 90.387,40 4.718,41 90.387,42 0.88,44 11.733,45 3.156,46 1.224,47 1.494,48 1.511,51 21.912,52 3.19,53 3.277,54 3.111,55 3.206,56 1.437,57 1.153,58 1.064,59 1.429,60 292.896,61 425.03,62 87.866,63 1.271,64 6.02,65 1.968,68 31.239,69 7.416,70 5.525}
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{0 CHEMBL1388069,1 2,2 2,3 3,4 48.347,5 0.312,7 0.654,8 0.63,9 1,10 16.786,11 5.452,12 2.828,13 5.433,14 -0.075,15 0.116,18 0.254,19 7.74,20 41.982,22 1,23 0.86,24 5,25 3.046,26 2.402,27 4.227,28 21,29 60.694,30 0.507,32 1,33 4.668,34 0.115,35 1,36 80.68,37 108.92,38 42.692,39 70.601,40 4.484,41 70.601,42 1,44 7.983,45 2.887,46 1.078,47 1.375,48 1.397,51 17.547,52 2.899,53 2.942,54 2.854,55 2.925,56 1.101,57 0.838,58 0.805,59 1.069,60 173.743,61 312.99,62 42.519,63 1.148,64 4.559,65 1.5,68 25.026,69 7.117,70 5.207}
{0 CHEMBL1388543,1 1,2 1,4 57.958,5 -0.434,7 2.059,8 1.937,9 1,10 61.88,11 6.113,12 3.808,13 9.077,14 1.553,15 0.336,18 0.348,19 12.867,20 61.868,21 2,22 1,23 0.8,24 8,25 3.212,26 2.811,27 6.938,28 18,29 18.011,30 0.8,32 1,33 5.222,34 0.239,35 0.83,36 57.58,37 85.82,38 71.839,39 111.044,40 4.978,41 111.044,42 0.75,44 13.933,45 3.331,46 1.42,47 1.644,48 1.652,51 27.513,52 3.371,53 3.45,54 3.263,55 3.328,56 1.591,57 1.279,58 1.214,59 1.486,60 328.965,61 516.07,62 68.172,63 1.472,64 7.468,65 2.202,68 39.947,69 9.531,70 4.449}
{0 CHEMBL1388661,4 54.957,5 -0.758,7 2.004,8 1.609,9 1,10 47.631,11 6.018,12 3.391,13 6.936,14 1.444,15 0.304,18 0.403,19 10.416,20 49.681,23 0.545,24 7,25 3.039,26 2.554,27 4.754,28 7,33 5.429,34 0.178,35 0.83,36 73.14,37 98.44,38 52.989,39 95.158,40 4.712,41 95.158,42 0.63,44 11,45 3.246,46 1.381,47 1.593,48 1.619,51 22.64,52 3.391,53 3.438,54 2.976,55 3.05,56 1.457,57 1.067,58 1.008,59 1.299,60 287.102,61 412.37,62 58.333,63 1.433,64 6.735,65 2.09,68 36.483,69 9.052,70 4.252}
{0 CHEMBL1389301,1 2,2 2,4 36.919,5 0.312,7 0.927,8 0.624,9 1,10 27.491,11 5.553,12 3.606,13 5.961,14 0.065,15 0.157,16 1,18 0.253,19 8.188,20 41.551,21 1,23 0.359,24 5,25 2.781,26 2.159,27 4.331,28 22,29 60.694,30 0.129,32 2,33 5.152,34 0.07,35 1,36 57.62,37 117.95,38 38.505,39 75.691,40 4.244,41 75.691,42 1,44 8.433,45 2.914,46 1.112,47 1.422,48 1.469,51 18.201,52 2.994,53 3.046,54 2.798,55 2.884,56 1.21,57 0.953,58 0.9,59 1.165,60 207.195,61 316.66,62 27.93,63 1.185,64 4.603,65 1.195,68 23.238,69 6.519,70 4.262}
{0 CHEMBL1389865,4 99.224,5 -0.721,7 2.056,8 1.723,9 1,10 25.777,11 6.07,12 4.243,13 6.647,14 0.971,15 0.321,18 0.512,19 9.321,20 54.243,23 0.616,24 6,25 3.147,26 2.644,27 4.997,28 50,30 0.106,33 5.374,34 0.284,35 0.83,36 93.64,37 102.02,38 90.923,39 97.521,40 4.802,41 97.521,42 0.88,44 10.793,45 3.09,46 1.327,47 1.592,48 1.605,51 23.532,52 3.11,53 3.129,54 3.035,55 3.109,56 1.425,57 1.028,58 0.963,59 1.279,60 272.947,61 414.89,62 137.896,63 1.366,64 5.823,65 2.127,68 36.928,69 8.251,70 4.252}
{0 CHEMBL1390206,1 1,2 1,4 52.944,5 -0.336,7 1.555,8 1.319,9 1,10 19.545,11 5.912,12 3.873,13 5.861,14 0.458,15 0.194,16 2,18 0.422,19 8.386,20 44.652,24 6,25 2.539,26 2.178,27 4.447,28 24,29 39.096,32 2,33 5.263,34 0.111,35 1,36 63.18,37 99.8,38 46.505,39 85.519,40 4.556,41 85.519,42 1,44 9.483,45 3.212,46 1.3,47 1.523,48 1.559,51 20.268,52 3.187,53 3.238,54 2.956,55 3.013,56 1.322,57 0.932,58 0.893,59 1.149,60 243.668,61 369.97,62 47.514,63 1.332,64 5.31,65 1.882,68 27.74,69 7.012,70 4.911}
{0 CHEMBL1390912,1 1,2 1,4 63.803,5 -0.272,7 1.228,8 1.133,9 1,10 40.822,11 5.676,12 3.24,13 4.66,14 0.431,15 0.244,18 0.323,19 7.118,20 40.017,22 1,23 0.657,24 5,25 2.97,26 2.468,27 3.101,28 21,29 18.011,30 0.532,33 5.079,34 0.138,35 1,36 98.31,37 98.31,38 53.556,39 73.653,40 4.385,41 73.653,42 1,44 8.317,45 2.9,46 1.098,47 1.497,48 1.465,51 17.675,52 3.072,53 3.126,54 2.89,55 2.947,56 1.301,57 0.882,58 0.84,59 1.096,60 201.809,61 319.21,62 77.584,63 1.14,64 4.899,65 1.588,68 29.964,69 7.637,70 4.262}
{0 CHEMBL1391773,1 2,2 2,3 2,4 64.883,5 0.483,7 0.957,8 0.151,9 1,10 22.299,11 5.467,12 3.162,13 3.546,14 -1.105,15 0.124,18 0.249,19 5.52,20 34.321,21 1,22 1,24 4,25 2.676,26 1.795,27 2.562,28 21,29 60.694,32 1,33 4.548,34 0.025,35 0.83,36 134.07,37 134.07,38 46.194,39 55.491,40 4.096,41 55.491,42 1,44 5.467,45 2.765,46 0.839,47 1.157,48 1.145,51 14.133,52 2.701,53 2.763,54 2.495,55 2.535,56 1.078,57 0.571,58 0.522,59 0.923,60 118.942,61 227.87,62 113.547,63 0.895,64 3.996,65 1.476,68 25.106,69 7.023,70 4.262}
{0 CHEMBL1392848,1 4,2 4,3 2,4 117.382,5 1.697,7 1.517,8 1.035,9 1,10 31.672,11 6.118,12 2.828,13 3.76,14 -0.112,15 0.245,18 0.34,19 5.985,20 37.596,24 1,25 2.81,26 2.419,27 2.769,28 27,29 159.722,32 1,33 4.721,35 1,36 114.75,37 114.75,38 54.101,39 59.977,40 3.767,41 59.977,42 1,44 6.933,45 2.831,46 0.902,47 1.151,48 1.143,51 16.332,52 2.837,53 2.902,54 2.833,55 2.882,56 1.056,57 0.753,58 0.699,59 1.041,60 167.111,61 309.23,62 68.393,63 0.933,64 4.67,65 1.814,68 30.705,69 7.672,70 4.262}
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{0 CHEMBL1705738,4 194.528,5 -0.65,7 1.573,8 1.5,9 1,10 24.943,11 6.277,12 3.606,13 6.77,14 1,15 0.292,18 0.332,19 9.713,20 51.891,23 0.86,24 5,25 3.14,26 2.45,27 4.972,28 30,30 0.8,33 4.322,34 0.182,35 0.83,36 127.66,37 127.66,38 78.117,39 94.575,40 4.375,41 94.575,42 0.88,44 9.833,45 3.102,46 1.129,47 1.587,48 1.499,50 0.293,51 22.303,52 3.145,53 3.206,54 3.111,55 3.206,56 1.376,57 1.153,58 1.064,59 1.429,60 205.794,61 384.6,62 110.52,63 1.156,64 5.899,65 1.819,68 35.911,69 8.553,70 5.47}
{0 CHEMBL1706025,1 1,2 1,4 39.323,5 -0.272,7 1.111,8 0.88,9 1,10 51.755,11 5.52,12 3.536,13 6.719,14 0.438,15 0.169,16 3,18 0.285,19 9.22,20 47.368,22 2,24 8,25 2.981,26 2.203,27 5.222,28 18,29 18.011,32 1,33 5.16,34 0.089,35 1,36 82.18,37 107.48,38 46.64,39 83.548,40 4.681,41 83.548,42 1,44 9.767,45 3.024,46 1.166,47 1.465,48 1.493,51 19.677,52 3.164,53 3.231,54 2.978,55 3.036,56 1.407,57 0.867,58 0.823,59 1.152,60 227.346,61 335.24,62 35.546,63 1.226,64 5.044,65 1.682,68 23.746,69 6.738,70 4.262}
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{0 CHEMBL1995565,1 2,2 2,4 12.784,5 0.331,7 0.235,8 -0.335,9 1,10 42.396,11 4.921,12 2.449,13 3.956,14 -0.801,15 0.115,18 0.203,19 5.737,20 32.29,22 1,24 2,25 2.346,26 2.096,27 2.805,28 17,29 59.469,33 4.9,34 0.074,35 1,36 48.38,37 48.38,38 32.051,39 57.445,40 4.166,41 57.445,42 1,44 6.269,45 2.874,46 0.924,47 1.174,48 1.175,51 14.481,52 2.669,53 2.738,54 2.554,55 2.591,56 0.885,57 0.556,58 0.464,59 0.839,60 146.2,61 259.74,62 29.616,63 0.978,64 3.795,65 0.947,68 17.672,69 5.623,70 4.418}
{0 CHEMBL1995720,1 8,2 8,3 4,4 165.03,5 3.665,6 4,7 2.329,8 2.306,10 263.84,11 7.183,12 8.515,13 40.803,14 2.072,15 0.763,16 8,18 0.922,19 48.154,20 241.77,21 3,22 4,23 1.94,24 52,25 3.718,26 2.989,27 31.013,28 176,29 162.51,30 1.419,31 0.8,32 4,33 5.532,34 0.548,35 0.33,36 317.38,37 317.38,38 421.14,39 304.831,40 6.39,41 304.831,42 0.38,43 0.8,44 35.383,45 3.62,46 1.701,47 1.943,48 1.963,49 11.219,50 0.86,51 77.109,52 3.744,53 3.807,54 3.73,55 3.793,56 1.926,57 1.707,58 1.646,59 1.923,60 943.356,61 1272.56,62 234.024,63 1.764,64 19.01,65 2.752,66 0.555,67 0.555,68 82.261,69 14.296,70 5.116}
{0 CHEMBL1996133,1 6,2 6,3 2,4 147.466,5 2.382,6 2,7 2.286,8 2.259,10 218.27,11 7.017,12 7.969,13 35.267,14 2.016,15 0.663,16 6,18 0.767,19 42.291,20 207.09,21 3,22 4,23 1.94,24 45,25 3.603,26 2.989,27 28.462,28 114,29 129.613,30 1.419,31 0.8,32 4,33 5.566,34 0.465,35 0.33,36 291.36,37 291.36,38 344.452,39 276.863,40 6.197,41 276.863,42 0.5,43 0.8,44 31.717,45 3.618,46 1.683,47 1.936,48 1.945,49 5.567,50 0.86,51 69.215,52 3.737,53 3.799,54 3.704,55 3.773,56 1.911,57 1.662,58 1.597,59 1.882,60 861.594,61 1140.46,62 215.155,63 1.737,64 17.437,65 2.752,66 0.555,67 0.555,68 76.241,69 14.06,70 4.262}
{0 CHEMBL2000039,1 1,2 1,4 26.621,5 -0.244,7 0.497,8 -0.468,9 1,10 44.689,11 4.93,12 2.828,13 4.247,14 -0.786,15 0.103,18 0.142,19 6.143,20 32.319,24 2,25 2.967,26 1.67,27 3.103,28 10,29 17.888,32 1,33 4.793,34 0.041,35 1,36 58.53,37 86.77,38 40.854,39 62.265,40 4.297,41 62.265,42 1,44 6.176,45 2.826,46 0.951,47 1.136,48 1.151,51 14.519,52 2.9,53 2.944,54 2.42,55 2.512,56 1.008,57 0.601,58 0.538,59 0.869,60 150.974,61 264,62 40.074,63 0.97,64 3.966,65 0.961,68 15.755,69 4.746,70 4.581}
{0 CHEMBL2000525,1 1,2 1,4 14.597,5 -0.301,7 -0.203,8 -0.726,9 1,10 16.786,11 4.914,12 2.236,13 3.199,14 -1.286,15 0.123,18 0.108,19 5.001,20 27.958,24 2,25 2.221,26 1.37,27 2.458,28 5,29 42.683,33 4.375,34 0.025,35 1,36 32.59,37 60.83,38 28.096,39 49.059,40 3.892,41 49.059,42 1,44 5.21,45 2.715,46 0.821,47 1.052,48 1.06,51 12.154,52 2.655,53 2.717,54 2.465,55 2.511,56 0.908,57 0.456,58 0.399,59 0.749,60 108.881,61 221.53,62 31.859,63 0.886,64 3.656,65 0.877,68 17.001,69 5.554,70 4.252}
{0 CHEMBL2001792,1 3,2 3,4 43.975,5 1.114,7 -0.054,8 -0.593,9 1,10 43.621,11 5.245,12 3.082,13 5.29,14 -0.641,15 0.166,16 3,18 0.283,19 7.004,20 42.256,24 3,25 2.858,26 2.166,27 4.371,28 39,29 103.377,32 1,33 4.889,34 0.087,35 1,36 81.92,37 81.92,38 53.606,39 62.596,40 3.789,41 62.596,42 1,44 6.302,45 2.753,46 0.831,47 1.115,48 1.131,51 16.614,52 2.852,53 2.883,54 2.563,55 2.63,56 1.017,57 0.463,58 0.397,59 0.841,60 150.609,61 279.21,62 62.189,63 0.883,64 3.907,65 0.582,68 22.08,69 6.22,70 5.207}
{0 CHEMBL2003887,1 1,2 1,4 140.75,5 -0.162,7 1.976,8 1.593,9 1,10 4.736,11 6.021,12 3.464,13 4.041,14 0.304,15 0.237,16 2,18 0.376,19 6.282,20 40.112,22 1,23 0.98,24 3,25 3.418,26 2.913,27 2.802,28 41,29 42.683,33 4.844,34 0.177,35 0.83,36 146.24,37 174.48,38 71.325,39 68.015,40 4.459,41 68.015,42 0.88,44 6.583,45 2.875,46 0.99,47 1.315,48 1.268,51 17.366,52 2.913,53 2.967,54 2.742,55 2.763,56 1.092,57 0.742,58 0.687,59 0.961,60 152.015,61 289.43,62 112.176,63 1.009,64 4.753,65 1.999,68 33.914,69 8.319,70 4.252}
{0 CHEMBL2005518,1 1,2 1,4 18.255,5 -0.383,7 1.09,8 1.028,9 1,10 16.786,11 4.999,12 2.646,13 3.711,14 -0.244,15 0.12,18 0.175,19 6.022,20 34.054,21 1,22 1,24 3,25 2.537,26 1.895,27 2.669,28 6,29 42.683,33 4.734,34 0.078,35 1,36 54.96,37 54.96,38 31.862,39 56.334,40 4.335,41 56.334,42 1,44 7.4,45 2.874,46 1.037,47 1.248,48 1.254,51 14.79,52 2.854,53 2.925,54 2.804,55 2.856,56 1.092,57 0.841,58 0.793,59 1.073,60 157.402,61 272.49,62 30.285,63 1.082,64 4.545,65 1.5,68 25.004,69 7.416,70 4.252}
{0 CHEMBL2324201,1 14,2 14,3 7,4 402.574,5 9.433,6 2,7 2.701,8 2.674,10 218.08,11 7.257,12 7.141,13 15.984,14 2.318,15 0.961,16 23,17 2,18 1.098,19 20.588,20 120.695,21 6,22 5,23 1.956,24 21,25 3.651,26 3.561,27 12.495,28 188,29 328.94,30 1.912,31 0.38,32 6,33 6.149,34 0.808,35 0.33,36 314.94,37 314.94,38 267.139,39 167.444,40 5.672,41 167.444,42 0.5,43 0.761,44 16.433,45 3.472,46 1.595,47 1.847,48 1.842,49 10.86,50 1.119,51 42.699,52 3.532,53 3.593,54 3.494,55 3.53,56 1.741,57 1.441,58 1.387,59 1.626,60 534.193,61 691.49,62 365.923,63 1.646,64 10.115,65 2.71,66 0.248,67 0.135,68 74.654,69 13.133,70 7.37}
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{0 CHEMBL2324204,1 13,2 13,3 5,4 298.558,5 8.68,6 2,7 2.681,8 2.427,10 218.08,11 7.069,12 6.708,13 14.63,14 2.091,15 0.74,16 15,17 2,18 1.064,19 19.075,20 106.869,21 9,22 5,23 1.953,24 18,25 3.609,26 3.196,27 11.686,28 132,29 269.471,30 1.91,31 0.241,32 7,33 5.85,34 0.569,35 0.33,36 280.14,37 280.14,38 213.128,39 155.096,40 5.516,41 155.096,42 0.5,43 0.376,44 15.517,45 3.473,46 1.59,47 1.841,48 1.839,49 16.854,50 0.688,51 39.116,52 3.526,53 3.587,54 3.437,55 3.48,56 1.731,57 1.395,58 1.351,59 1.614,60 480.793,61 641.95,62 289.762,63 1.642,64 9.528,65 2.707,66 0.129,67 0.084,68 65.029,69 12.294,70 5.487}
{0 CHEMBL2324205,1 13,2 13,3 6,4 324.636,5 8.787,6 2,7 2.648,8 2.427,10 201.295,11 7.063,12 6.671,13 15.57,14 1.792,15 0.719,16 12,17 2,18 0.925,19 19.549,20 120.487,21 9,22 5,23 1.953,24 18,25 3.609,26 3.196,27 13.193,28 153,29 295.369,30 1.91,31 0.241,32 7,33 5.771,34 0.582,35 0.33,36 284.58,37 284.58,38 250.749,39 151.267,40 5.395,41 151.267,42 0.5,43 0.376,44 14.883,45 3.436,46 1.498,47 1.788,48 1.767,49 16.708,50 0.688,51 39.027,52 3.516,53 3.57,54 3.437,55 3.479,56 1.692,57 1.367,58 1.31,59 1.58,60 455.362,61 631.04,62 299.307,63 1.547,64 9.1,65 2.69,66 0.129,67 0.084,68 62.182,69 11.7,70 6.259}
{0 CHEMBL2324206,1 9,2 9,3 6,4 503.502,5 4.553,7 2.97,8 2.948,10 115.349,11 7.616,12 7.778,13 19.949,14 2.808,15 1.373,16 20,18 1.727,19 26.913,20 142.643,21 10,22 6,23 1.967,24 23,25 3.769,26 3.571,27 15.727,28 183,29 229.112,30 1.925,31 0.687,32 7,33 6.115,34 1.144,35 0.17,36 289.74,37 298.12,38 339.614,39 219.235,40 5.893,41 219.235,42 0.38,43 1.093,44 23.3,45 3.662,46 1.71,47 1.957,48 1.952,50 1.888,51 57.077,52 3.781,53 3.796,54 3.756,55 3.759,56 1.889,57 1.629,58 1.635,59 1.843,60 659.896,61 964.19,62 414.793,63 1.755,64 14.436,65 3.13,66 0.4,67 0.358,68 128.737,69 20.48,70 6.387}
{0 CHEMBL2324207,1 22,2 22,3 19,4 907.109,5 15.029,6 4,7 3.062,8 3.002,10 438.952,11 8.077,12 7.81,13 30.15,14 2.903,15 2.115,16 32,17 4,18 2.514,19 38.504,20 210.628,21 22,22 10,23 2.001,24 27,25 3.825,26 3.716,27 24.112,28 424,29 427.218,30 1.987,31 1.911,32 16,33 6.179,34 2.012,36 521.8,37 521.8,38 572.087,39 302.828,40 6.329,41 302.828,42 0.38,43 1.929,44 31.083,45 3.677,46 1.719,47 1.972,48 1.962,49 22.498,50 1.949,51 76.739,52 3.81,53 3.857,54 3.774,55 3.823,56 1.94,57 1.702,58 1.647,59 1.901,60 955.491,61 1250.43,62 724.976,63 1.765,64 18.349,65 3.139,66 1.898,67 1.886,68 166.849,69 22.589,70 6.688}
{0 CHEMBL2324208,1 9,2 9,3 4,4 176.757,5 5.992,6 2,7 1.422,8 1.075,10 160.204,11 6.494,12 5.244,13 9.56,14 0.381,15 0.302,16 11,17 2,18 0.432,19 12.127,20 72.617,21 3,22 2,23 1.119,24 12,25 3.086,26 2.758,27 8.074,28 74,29 190.766,30 0.589,32 3,33 5.463,34 0.182,35 0.5,36 183.42,37 183.42,38 118.097,39 96.722,40 4.607,41 96.722,42 0.63,44 9.617,45 3.089,46 1.15,47 1.545,48 1.533,49 10.619,50 0.135,51 24.438,52 3.29,53 3.345,54 3.069,55 3.131,56 1.489,57 1.059,58 1.015,59 1.285,60 285.915,61 402.74,62 177.602,63 1.221,64 5.799,65 1.692,68 31.548,69 7.304,70 5.939}
{0 CHEMBL2324209,1 13,2 13,3 7,4 367.801,5 8.549,6 2,7 2.69,8 2.67,10 220.615,11 7.207,12 7,13 15.814,14 2.318,15 0.906,16 22,17 2,18 1.027,19 20.454,20 117.152,21 6,22 4,23 1.956,24 21,25 3.647,26 3.559,27 12.828,28 165,29 286.257,30 1.912,31 0.38,32 6,33 6.109,34 0.759,35 0.33,36 294.71,37 294.71,38 250.194,39 163.894,40 5.371,41 163.894,42 0.5,43 0.589,44 16.4,45 3.472,46 1.595,47 1.847,48 1.842,49 10.882,50 1.119,51 41.751,52 3.53,53 3.592,54 3.489,55 3.528,56 1.74,57 1.446,58 1.387,59 1.629,60 517.623,61 682.7,62 335.625,63 1.646,64 10.094,65 2.71,66 0.248,67 0.135,68 71.31,69 12.897,70 7.135}
{0 CHEMBL2324210,1 9,2 9,3 4,4 176.757,5 5.992,6 2,7 1.422,8 1.075,10 160.204,11 6.494,12 5.244,13 9.56,14 0.381,15 0.302,16 11,17 2,18 0.432,19 12.127,20 72.617,21 3,22 2,23 1.119,24 12,25 3.086,26 2.758,27 8.074,28 74,29 190.766,30 0.589,32 3,33 5.463,34 0.182,35 0.5,36 183.42,37 183.42,38 118.097,39 96.722,40 4.607,41 96.722,42 0.63,44 9.617,45 3.089,46 1.15,47 1.545,48 1.533,49 10.619,50 0.135,51 24.438,52 3.29,53 3.345,54 3.069,55 3.131,56 1.489,57 1.059,58 1.015,59 1.285,60 285.915,61 402.74,62 177.602,63 1.221,64 5.799,65 1.692,68 31.548,69 7.304,70 4.481}
{0 CHEMBL2324211,1 12,2 12,3 5,4 303.595,5 7.982,6 2,7 2.427,8 2.318,10 195.001,11 7.005,12 6.245,13 12.253,14 1.792,15 0.663,16 18,17 2,18 0.807,19 16.309,20 90.638,21 4,22 4,23 1.886,24 16,25 3.579,26 3.127,27 9.36,28 101,29 268.246,30 1.119,31 0.135,32 4,33 5.931,34 0.552,35 0.33,36 248.54,37 248.54,38 173.25,39 138.024,40 5.132,41 138.024,42 0.5,43 0.14,44 13.817,45 3.372,46 1.431,47 1.742,48 1.716,49 11.023,50 0.343,51 34.559,52 3.494,53 3.53,54 3.39,55 3.45,56 1.642,57 1.361,58 1.298,59 1.617,60 438.146,61 572.9,62 262.293,63 1.475,64 8.499,65 2.688,68 57.466,69 11.296,70 4.745}
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{0 CHEMBL2324213,1 12,2 12,3 5,4 303.595,5 7.982,6 2,7 2.427,8 2.318,10 195.001,11 7.005,12 6.245,13 12.253,14 1.792,15 0.663,16 18,17 2,18 0.807,19 16.309,20 90.638,21 4,22 4,23 1.886,24 16,25 3.579,26 3.127,27 9.36,28 101,29 268.246,30 1.119,31 0.135,32 4,33 5.931,34 0.552,35 0.33,36 248.54,37 248.54,38 173.25,39 138.024,40 5.132,41 138.024,42 0.5,43 0.14,44 13.817,45 3.372,46 1.431,47 1.742,48 1.716,49 11.023,50 0.343,51 34.559,52 3.494,53 3.53,54 3.39,55 3.45,56 1.642,57 1.361,58 1.298,59 1.617,60 438.146,61 572.9,62 262.293,63 1.475,64 8.499,65 2.688,68 57.466,69 11.296,70 6.303}
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{0 CHEMBL2324217,1 10,2 10,3 3,4 192.381,5 6.838,6 1,7 1.605,8 1.258,10 160.204,11 6.552,12 5.523,13 10.382,14 0.708,15 0.338,16 11,17 2,18 0.551,19 12.987,20 80.442,21 3,22 3,23 1.119,24 13,25 3.183,26 2.758,27 8.201,28 90,29 233.45,30 0.761,32 3,33 5.584,34 0.215,35 0.33,36 203.65,37 203.65,38 140.213,39 104.135,40 4.779,41 104.135,42 0.63,44 10.15,45 3.145,46 1.206,47 1.61,48 1.595,49 10.627,50 0.135,51 26.383,52 3.31,53 3.349,54 3.08,55 3.17,56 1.49,57 1.059,58 1.015,59 1.354,60 313.898,61 428.83,62 207.118,63 1.29,64 6.069,65 1.764,68 34.485,69 7.54,70 4.481}
{0 CHEMBL2324218,1 7,2 7,3 6,4 189.775,5 3.994,6 2,7 1.616,8 1.422,10 131.9,11 6.604,12 5.523,13 11.367,14 0.993,15 0.382,16 10,17 2,18 0.506,19 14.232,20 84.19,21 4,22 3,23 1.119,24 15,25 3.086,26 2.758,27 9.364,28 87,29 157.869,30 0.851,32 2,33 5.611,34 0.256,35 0.33,36 166.63,37 166.63,38 136.348,39 104.615,40 4.852,41 104.615,42 0.5,43 0.135,44 10.783,45 3.297,46 1.352,47 1.634,48 1.629,49 5.264,50 0.245,51 27.156,52 3.329,53 3.39,54 3.23,55 3.277,56 1.529,57 1.139,58 1.083,59 1.405,60 335.048,61 449.79,62 180.086,63 1.421,64 6.543,65 1.881,68 35.765,69 8.037,70 5.277}
{0 CHEMBL2324219,1 11,2 11,3 5,4 371.43,5 6.751,6 2,7 2.694,8 2.606,10 196.543,11 7.228,12 7,13 15.851,14 2.318,15 0.82,16 21,17 2,18 1.27,19 20.482,20 116.978,21 9,22 4,23 1.99,24 20,25 3.652,26 3.472,27 12.849,28 172,29 236.574,30 1.936,31 0.383,32 7,33 6.041,34 0.831,35 0.33,36 271.19,37 271.19,38 249.949,39 162.881,40 5.459,41 162.881,42 0.5,43 0.589,44 17.1,45 3.477,46 1.587,47 1.849,48 1.844,49 10.995,50 1.2,51 41.79,52 3.53,53 3.568,54 3.497,55 3.56,56 1.717,57 1.444,58 1.398,59 1.694,60 527.803,61 689,62 313.361,63 1.644,64 10.143,65 2.709,66 0.253,67 0.129,68 70.405,69 12.812,70 7.108}
{0 CHEMBL2324220,1 13,2 13,3 7,4 367.801,5 8.549,6 2,7 2.69,8 2.67,10 220.615,11 7.207,12 7,13 15.814,14 2.318,15 0.906,16 22,17 2,18 1.027,19 20.454,20 117.152,21 6,22 4,23 1.956,24 21,25 3.647,26 3.559,27 12.828,28 165,29 286.257,30 1.912,31 0.38,32 6,33 6.109,34 0.759,35 0.33,36 294.71,37 294.71,38 250.194,39 163.894,40 5.371,41 163.894,42 0.5,43 0.589,44 16.4,45 3.472,46 1.595,47 1.847,48 1.842,49 10.882,50 1.119,51 41.751,52 3.53,53 3.592,54 3.489,55 3.528,56 1.74,57 1.446,58 1.387,59 1.629,60 517.623,61 682.7,62 335.625,63 1.646,64 10.094,65 2.71,66 0.248,67 0.135,68 71.31,69 12.897,70 7.543}
{0 CHEMBL250711,1 3,2 3,3 1,4 56.529,5 0.768,7 1.174,8 0.91,9 0.5,10 66.96,11 5.791,12 4.848,13 16.199,14 0.295,15 0.086,16 3,18 0.152,19 18.301,20 98.848,21 1,24 18,25 2.214,26 1.79,27 15.062,28 37,29 103.377,32 1,33 4.668,34 0.07,35 0.67,36 69.56,37 69.56,38 123.984,39 91.561,40 4.574,41 91.561,42 0.75,44 12.483,45 3.301,46 1.409,47 1.683,48 1.707,51 26.555,52 3.356,53 3.429,54 3.217,55 3.291,56 1.573,57 1.23,58 1.154,59 1.489,60 281.834,61 459.27,62 41.14,63 1.476,64 6.545,65 1.323,68 15.696,69 4.033,70 4.262}
{0 CHEMBL354349,1 4,2 4,4 14.249,5 2.005,7 -0.88,8 -1.061,9 1,10 4.288,11 4.19,12 1.871,13 2.194,14 -1.598,18 0.041,19 3.602,20 23.576,25 2.129,26 1.259,27 1.611,28 10,29 65.794,33 3.898,35 0.83,36 55.92,37 55.92,38 17.265,39 42.219,40 3.264,41 42.219,42 1,44 5.75,45 2.598,46 0.753,47 1.054,48 1.097,49 11.657,51 10.355,52 2.707,53 2.782,54 2.577,55 2.721,56 0.922,57 0.532,58 0.377,59 0.955,60 107.174,61 196.82,62 16.764,63 0.841,64 3.091,65 -0.122,68 15.752,69 4.962,70 4.262}
{0 CHEMBL372629,1 2,2 2,4 11.307,5 0.259,7 1.143,8 0.986,9 1,10 39.881,11 4.86,12 2.121,13 3.043,14 -0.783,15 0.063,16 2,18 0.153,19 5.19,20 29.996,24 2,25 2.385,26 1.657,27 2.344,28 2,29 34.796,32 2,33 4.469,34 0.033,35 1,36 61.54,37 61.54,38 26.331,39 51.606,40 4.096,41 51.606,42 1,44 6.283,45 2.718,46 0.885,47 1.111,48 1.122,51 12.9,52 2.824,53 2.878,54 2.681,55 2.763,56 1.062,57 0.781,58 0.724,59 1.012,60 134.631,61 253.21,62 33.047,63 0.939,64 4.376,65 1.5,68 22.113,69 6.856,70 4.253}
{0 CHEMBL393287,1 1,2 1,4 18.848,5 -0.326,7 1.034,8 0.774,9 1,10 43.361,11 5.23,12 2.646,13 3.543,14 -0.404,15 0.043,18 0.193,19 5.707,20 31.724,24 4,25 2.17,26 1.685,27 2.394,28 7,29 18.011,32 4,33 4.499,34 0.02,35 1,36 47.67,37 47.67,38 23.088,39 59.098,40 4.35,41 59.098,42 1,44 8.217,45 2.835,46 0.957,47 1.273,48 1.29,51 14.279,52 2.935,53 3.013,54 2.806,55 2.891,56 1.164,57 0.807,58 0.74,59 1.042,60 168.968,61 260.8,62 21.608,63 1.028,64 4.441,65 1.431,68 21.329,69 6.264,70 4.252}
{0 CHEMBL395808,1 1,2 1,3 1,4 35.095,5 -0.32,7 -0.082,8 -0.339,9 1,11 5.082,12 2.121,13 3.203,14 -1.089,15 0.056,16 2,18 0.143,19 5.021,20 29.887,22 1,24 2,25 2.589,26 1.766,27 2.312,28 11,29 42.683,33 4.664,34 0.025,35 1,36 59.67,37 59.67,38 32.855,39 44.98,40 4.022,41 44.98,42 1,44 6.117,45 2.701,46 0.781,47 1.036,48 1.045,51 12.758,52 2.763,53 2.832,54 2.606,55 2.656,56 0.981,57 0.588,58 0.542,59 0.821,60 129.594,61 240.52,62 43.082,63 0.828,64 3.647,65 0.612,68 20.257,69 6.059,70 5.207}
{0 CHEMBL422692,1 1,2 1,3 2,4 68.67,5 -0.291,7 0.158,8 -0.154,9 1,10 28.735,11 5.491,12 2.55,13 3.222,14 -1.146,15 0.101,16 1,18 0.151,19 5.058,20 32.135,23 0.227,24 2,25 2.765,26 1.888,27 2.292,28 18,29 42.683,32 1,33 4.514,34 0.037,35 1,36 72.19,37 72.19,38 37.473,39 52.691,40 3.844,41 52.691,42 1,44 6.35,45 2.715,46 0.821,47 1.063,48 1.107,51 13.376,52 2.852,53 2.925,54 2.624,55 2.672,56 1.062,57 0.531,58 0.495,59 0.81,60 128.955,61 251.09,62 70.884,63 0.886,64 3.771,65 1.477,68 22.099,69 6.309,70 4.262}
{0 CHEMBL496633,1 2,2 2,3 1,4 38.688,5 0.137,7 1.112,8 0.958,9 1,10 57.155,11 5.488,12 3.606,13 4.112,14 -0.232,15 0.185,16 1,18 0.3,19 6.204,20 38.085,24 3,25 2.662,26 2.254,27 3.066,28 30,29 59.469,33 5.064,34 0.081,35 1,36 45.25,37 45.25,38 39.242,39 67.155,40 4.162,41 67.155,42 1,44 10.45,45 3.075,46 1.159,47 1.433,48 1.475,51 17.231,52 3.048,53 3.141,54 2.976,55 3.045,56 1.299,57 1.025,58 0.958,59 1.308,60 238.009,61 331.78,62 29.162,63 1.227,64 4.627,65 1.473,68 21.721,69 5.81,70 4.325}
{0 CHEMBL532160,1 1,2 1,3 1,4 50.024,5 -0.363,7 1.978,8 1.5,9 1,10 63.412,11 6.035,12 3.464,13 7.839,14 0.835,15 0.412,16 1,18 0.533,19 10.828,20 56.419,23 0.86,24 8,25 3.182,26 2.65,27 5.441,28 46,29 31.672,30 0.86,32 1,33 4.913,34 0.346,35 0.67,36 69.36,37 94.66,38 60.141,39 100.481,40 4.852,41 100.481,42 0.75,43 0.12,44 12.21,45 3.051,46 1.16,47 1.523,48 1.54,50 0.393,51 24.613,52 3.249,53 3.315,54 3.138,55 3.223,56 1.485,57 1.117,58 1.029,59 1.415,60 265.48,61 440.27,62 54.305,63 1.221,64 6.049,65 1.986,68 36.333,69 8.879,70 4.536}
{0 CHEMBL589245,1 2,2 2,4 22.576,5 0.173,7 0.945,8 0.618,9 1,10 53.223,11 5.366,12 3.082,13 4.754,14 -0.188,15 0.069,16 1,18 0.189,19 6.991,20 33.823,22 1,24 5,25 2.558,26 2.111,27 3.335,28 5,29 60.694,33 5,34 0.063,35 1,36 37.19,37 37.19,38 34.858,39 69.319,40 4.252,41 69.319,42 1,44 9.567,45 2.937,46 1.198,47 1.482,48 1.507,51 16.32,52 3.018,53 3.111,54 2.961,55 3.038,56 1.334,57 1.057,58 0.969,59 1.334,60 236.235,61 320.85,62 23.369,63 1.266,64 4.715,65 1.242,68 13.23,69 3.654,70 4.262}
{0 CHEMBL589694,1 1,2 1,4 52.166,5 -0.409,7 2.059,8 1.937,9 1,10 53.055,11 6.072,12 3.808,13 9.304,14 1.553,15 0.336,18 0.348,19 13.058,20 61.868,21 2,22 1,23 0.8,24 8,25 3.216,26 2.976,27 7.062,28 18,29 18.011,30 0.8,32 1,33 5.215,34 0.239,35 0.83,36 57.58,37 85.82,38 74.074,39 114.19,40 4.978,41 114.19,42 0.75,44 13.076,45 3.33,46 1.418,47 1.638,48 1.649,51 27.788,52 3.368,53 3.445,54 3.223,55 3.28,56 1.582,57 1.214,58 1.158,59 1.429,60 312.793,61 513.98,62 72.649,63 1.468,64 7.468,65 2.202,68 40.064,69 9.564,70 4.267}
{0 CHEMBL597857,1 2,2 2,4 16.433,5 0.337,7 1,8 0.87,9 1,10 50.815,11 5.031,12 2.739,13 4.737,14 -0.253,15 0.135,18 0.096,19 7.133,20 34.099,22 2,24 5,25 2.531,26 1.971,27 3.462,28 2,29 34.796,32 1,33 4.869,34 0.077,35 1,36 66.07,37 66.07,38 28.634,39 72.68,40 4.22,41 72.68,42 1,44 7.743,45 2.91,46 1.026,47 1.327,48 1.323,51 15.94,52 3.074,53 3.162,54 2.895,55 2.958,56 1.316,57 0.888,58 0.816,59 1.095,60 197.46,61 283.68,62 29.911,63 1.079,64 4.857,65 1.324,68 18.772,69 5.739,70 4.964}
{0 CHEMBL601385,4 12.655,5 -0.704,7 0.527,8 -0.104,9 1,10 5.942,11 4.798,12 2.55,13 3.93,14 -0.981,15 0.145,18 0.142,19 5.86,20 32.424,24 3,25 2.488,26 1.781,27 2.929,28 11,33 4.572,34 0.066,35 1,36 51.77,37 51.77,38 22.556,39 58.265,40 4.011,41 58.265,42 1,44 6.943,45 2.724,46 0.821,47 1.062,48 1.107,51 14.083,52 2.854,53 2.925,54 2.788,55 2.873,56 1.053,57 0.793,58 0.723,59 0.988,60 139.812,61 249.23,62 21.635,63 0.886,64 3.875,65 1,68 18.615,69 5.979,70 4.262}
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{0 CHEMBL86464,1 3,2 3,4 28.564,5 0.957,7 0.991,8 0.23,9 1,10 31.737,11 5.146,12 3.082,13 4.721,14 -0.54,15 0.158,16 1,18 0.152,19 6.934,20 39.539,24 3,25 2.49,26 2.018,27 3.886,28 17,29 50.908,32 1,33 5.103,34 0.14,35 1,36 68.01,37 68.01,38 38.676,39 63.412,40 4.168,41 63.412,42 1,44 7.426,45 2.887,46 0.947,47 1.229,48 1.231,49 6.027,51 16.342,52 2.879,53 2.922,54 2.811,55 2.862,56 1.024,57 0.781,58 0.735,59 1.017,60 178.122,61 298.08,62 39.538,63 1.001,64 4.5,65 1.432,68 24.597,69 7.05,70 4.262}