@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1293246

@attribute molecule_id {CHEMBL116438,CHEMBL1228,CHEMBL126602,CHEMBL1299716,CHEMBL1300370,CHEMBL1301371,CHEMBL1301723,CHEMBL1301731,CHEMBL1303426,CHEMBL1303810,CHEMBL1303914,CHEMBL1305960,CHEMBL1306565,CHEMBL1306900,CHEMBL1307050,CHEMBL1307636,CHEMBL1308255,CHEMBL1308404,CHEMBL1308497,CHEMBL1309228,CHEMBL1310325,CHEMBL131037,CHEMBL1310644,CHEMBL1311185,CHEMBL1313590,CHEMBL1314602,CHEMBL1315870,CHEMBL1315948,CHEMBL1315955,CHEMBL1316002,CHEMBL131770,CHEMBL1317758,CHEMBL1319018,CHEMBL1319026,CHEMBL1319461,CHEMBL1319618,CHEMBL1319867,CHEMBL1320566,CHEMBL1322893,CHEMBL1323536,CHEMBL1324305,CHEMBL1327783,CHEMBL1328086,CHEMBL1331822,CHEMBL1332454,CHEMBL1333292,CHEMBL1333510,CHEMBL1334550,CHEMBL1337235,CHEMBL1338304,CHEMBL1338958,CHEMBL1340014,CHEMBL1340895,CHEMBL1342053,CHEMBL1342574,CHEMBL1343392,CHEMBL1343705,CHEMBL1345017,CHEMBL1345175,CHEMBL1345758,CHEMBL1346167,CHEMBL1346378,CHEMBL1346587,CHEMBL1348057,CHEMBL1348269,CHEMBL1348676,CHEMBL1350432,CHEMBL1351081,CHEMBL1352171,CHEMBL1352586,CHEMBL1353015,CHEMBL1353194,CHEMBL1358969,CHEMBL1359902,CHEMBL1360031,CHEMBL1361740,CHEMBL1361821,CHEMBL1361913,CHEMBL1362660,CHEMBL1364723,CHEMBL1365425,CHEMBL1367622,CHEMBL1368761,CHEMBL1370681,CHEMBL1370704,CHEMBL1370844,CHEMBL1370977,CHEMBL1371432,CHEMBL1372112,CHEMBL1372650,CHEMBL1372738,CHEMBL1372920,CHEMBL1373572,CHEMBL1373849,CHEMBL1374860,CHEMBL1374957,CHEMBL1375338,CHEMBL1375884,CHEMBL1376656,CHEMBL137913,CHEMBL1381292,CHEMBL1382215,CHEMBL1384167,CHEMBL1385690,CHEMBL1385771,CHEMBL1386978,CHEMBL1387110,CHEMBL1390220,CHEMBL1390797,CHEMBL1391244,CHEMBL1393948,CHEMBL1394530,CHEMBL1396129,CHEMBL1396166,CHEMBL1397449,CHEMBL1397665,CHEMBL1398812,CHEMBL1399400,CHEMBL1399957,CHEMBL140,CHEMBL1400031,CHEMBL1401040,CHEMBL1402332,CHEMBL1403329,CHEMBL1404578,CHEMBL1405717,CHEMBL1405830,CHEMBL1406130,CHEMBL1406758,CHEMBL1407961,CHEMBL1409608,CHEMBL1409883,CHEMBL1410338,CHEMBL1410659,CHEMBL1411388,CHEMBL1411914,CHEMBL1413510,CHEMBL1413533,CHEMBL1413680,CHEMBL1414311,CHEMBL1415476,CHEMBL1415903,CHEMBL1415985,CHEMBL1416020,CHEMBL1416184,CHEMBL1416351,CHEMBL1417212,CHEMBL1417970,CHEMBL1418079,CHEMBL1418162,CHEMBL1418341,CHEMBL1418428,CHEMBL1418643,CHEMBL1419012,CHEMBL1419367,CHEMBL1419822,CHEMBL1420142,CHEMBL1420325,CHEMBL1421492,CHEMBL1422515,CHEMBL1423567,CHEMBL1423602,CHEMBL1423626,CHEMBL1424340,CHEMBL1424562,CHEMBL1424951,CHEMBL1427185,CHEMBL1428095,CHEMBL1428415,CHEMBL1428935,CHEMBL1429929,CHEMBL1430184,CHEMBL1430995,CHEMBL1431535,CHEMBL1431608,CHEMBL1431610,CHEMBL1432003,CHEMBL1432251,CHEMBL1434843,CHEMBL1435494,CHEMBL1436864,CHEMBL1440300,CHEMBL1440303,CHEMBL1441181,CHEMBL1441976,CHEMBL1442450,CHEMBL1443188,CHEMBL1445650,CHEMBL1445684,CHEMBL1446199,CHEMBL1446754,CHEMBL1447306,CHEMBL1447783,CHEMBL1447796,CHEMBL1448093,CHEMBL1449204,CHEMBL1450616,CHEMBL1451470,CHEMBL1452132,CHEMBL1452412,CHEMBL1453089,CHEMBL1453652,CHEMBL1455686,CHEMBL1456324,CHEMBL1458022,CHEMBL1458470,CHEMBL1458472,CHEMBL1458548,CHEMBL1458632,CHEMBL1458726,CHEMBL1459140,CHEMBL1459316,CHEMBL1460029,CHEMBL1460167,CHEMBL1460491,CHEMBL1462078,CHEMBL1462613,CHEMBL1463059,CHEMBL1464372,CHEMBL1464798,CHEMBL1464897,CHEMBL1465409,CHEMBL1465592,CHEMBL1468847,CHEMBL1469035,CHEMBL1470904,CHEMBL1471341,CHEMBL1472131,CHEMBL1473205,CHEMBL1474143,CHEMBL1474947,CHEMBL1476225,CHEMBL1477197,CHEMBL1477528,CHEMBL1479144,CHEMBL1480031,CHEMBL1483282,CHEMBL1483727,CHEMBL1484327,CHEMBL1485865,CHEMBL1487183,CHEMBL1487952,CHEMBL1490225,CHEMBL1490312,CHEMBL1491016,CHEMBL1491686,CHEMBL1492044,CHEMBL1492648,CHEMBL1492819,CHEMBL1493353,CHEMBL1494120,CHEMBL1495079,CHEMBL1497139,CHEMBL1498308,CHEMBL1499951,CHEMBL1500251,CHEMBL1500335,CHEMBL1500409,CHEMBL1501987,CHEMBL1502002,CHEMBL1502104,CHEMBL1502551,CHEMBL1503051,CHEMBL1504077,CHEMBL1504283,CHEMBL1505902,CHEMBL1508121,CHEMBL1508208,CHEMBL1508593,CHEMBL1508875,CHEMBL1509181,CHEMBL1510339,CHEMBL1510658,CHEMBL1510664,CHEMBL1510673,CHEMBL1511843,CHEMBL1513792,CHEMBL1513846,CHEMBL1517381,CHEMBL1517505,CHEMBL1517808,CHEMBL1518077,CHEMBL1518934,CHEMBL1520143,CHEMBL1520247,CHEMBL1520346,CHEMBL1520753,CHEMBL1520801,CHEMBL1521259,CHEMBL1521425,CHEMBL1522756,CHEMBL1523192,CHEMBL1523652,CHEMBL1524257,CHEMBL1524932,CHEMBL1526126,CHEMBL1526855,CHEMBL1527042,CHEMBL1527705,CHEMBL1527994,CHEMBL1529115,CHEMBL1530173,CHEMBL1531245,CHEMBL1531308,CHEMBL1532258,CHEMBL1532571,CHEMBL1532668,CHEMBL1533279,CHEMBL1534296,CHEMBL1534390,CHEMBL1534986,CHEMBL1535546,CHEMBL1535665,CHEMBL1535938,CHEMBL1537904,CHEMBL1537972,CHEMBL1538097,CHEMBL1538643,CHEMBL1538987,CHEMBL1539486,CHEMBL1539520,CHEMBL1539522,CHEMBL1540042,CHEMBL1540377,CHEMBL1540557,CHEMBL1541211,CHEMBL1541441,CHEMBL1541918,CHEMBL1542492,CHEMBL1542862,CHEMBL1542877,CHEMBL1543839,CHEMBL1543956,CHEMBL1544093,CHEMBL1544131,CHEMBL1544423,CHEMBL1544797,CHEMBL1546134,CHEMBL1547938,CHEMBL1548439,CHEMBL1549144,CHEMBL1550381,CHEMBL1550406,CHEMBL1551022,CHEMBL1554784,CHEMBL1554968,CHEMBL1555532,CHEMBL1555759,CHEMBL1556007,CHEMBL1556501,CHEMBL1556661,CHEMBL1556931,CHEMBL1557243,CHEMBL1557268,CHEMBL1557820,CHEMBL1558462,CHEMBL1559733,CHEMBL1561395,CHEMBL1564153,CHEMBL1565378,CHEMBL1565458,CHEMBL1566610,CHEMBL1566706,CHEMBL1566835,CHEMBL1567159,CHEMBL1570323,CHEMBL1570958,CHEMBL1571123,CHEMBL1571290,CHEMBL1571964,CHEMBL1572920,CHEMBL1573150,CHEMBL1573201,CHEMBL1573592,CHEMBL1574879,CHEMBL1575428,CHEMBL1575594,CHEMBL1576762,CHEMBL1577867,CHEMBL1578341,CHEMBL1578600,CHEMBL1578982,CHEMBL1579061,CHEMBL1579152,CHEMBL1579462,CHEMBL1580134,CHEMBL1582196,CHEMBL1583665,CHEMBL1583960,CHEMBL1583998,CHEMBL1584189,CHEMBL1585177,CHEMBL1585390,CHEMBL1585397,CHEMBL1585742,CHEMBL1586067,CHEMBL1586425,CHEMBL1587764,CHEMBL1588411,CHEMBL1589062,CHEMBL1589107,CHEMBL1591156,CHEMBL1596878,CHEMBL1597682,CHEMBL1603777,CHEMBL1604510,CHEMBL1604546,CHEMBL1605748,CHEMBL1605956,CHEMBL1606613,CHEMBL1606773,CHEMBL1607132,CHEMBL1607380,CHEMBL1608392,CHEMBL1608420,CHEMBL1609419,CHEMBL1610025,CHEMBL1610243,CHEMBL1611002,CHEMBL1611182,CHEMBL1612634,CHEMBL1613445,CHEMBL167542,CHEMBL1698008,CHEMBL1698608,CHEMBL1698845,CHEMBL1699845,CHEMBL1700000,CHEMBL1700347,CHEMBL1701517,CHEMBL1702031,CHEMBL1702693,CHEMBL1703189,CHEMBL1703200,CHEMBL1703795,CHEMBL1703892,CHEMBL1704261,CHEMBL1704703,CHEMBL1705093,CHEMBL1705207,CHEMBL1705256,CHEMBL1705527,CHEMBL1706548,CHEMBL1707429,CHEMBL1708074,CHEMBL1709419,CHEMBL1710136,CHEMBL1710429,CHEMBL1710471,CHEMBL1710798,CHEMBL1710816,CHEMBL1711514,CHEMBL1711797,CHEMBL1712082,CHEMBL1712120,CHEMBL1712229,CHEMBL1712850,CHEMBL1713905,CHEMBL1713955,CHEMBL1714827,CHEMBL1717890,CHEMBL1719994,CHEMBL1720128,CHEMBL1720248,CHEMBL1720734,CHEMBL1720897,CHEMBL1722641,CHEMBL1723607,CHEMBL1723955,CHEMBL1724428,CHEMBL1724645,CHEMBL1725771,CHEMBL1726134,CHEMBL1726287,CHEMBL1726534,CHEMBL1726592,CHEMBL1727091,CHEMBL1727997,CHEMBL1728153,CHEMBL1728841,CHEMBL1730870,CHEMBL1731017,CHEMBL1731146,CHEMBL1731330,CHEMBL1731349,CHEMBL1732235,CHEMBL1734268,CHEMBL1734503,CHEMBL1734763,CHEMBL1735539,CHEMBL1736490,CHEMBL1736537,CHEMBL1736766,CHEMBL179512,CHEMBL1864580,CHEMBL1864760,CHEMBL1865393,CHEMBL1867341,CHEMBL1871738,CHEMBL1878035,CHEMBL1878940,CHEMBL1881622,CHEMBL1881880,CHEMBL1883309,CHEMBL1889303,CHEMBL1889898,CHEMBL1890919,CHEMBL1895152,CHEMBL1897634,CHEMBL1899958,CHEMBL1901984,CHEMBL1904111,CHEMBL1904199,CHEMBL1964993,CHEMBL1966700,CHEMBL1966746,CHEMBL1967436,CHEMBL1967856,CHEMBL1967952,CHEMBL1971127,CHEMBL1971913,CHEMBL1973156,CHEMBL1974389,CHEMBL1977499,CHEMBL1980369,CHEMBL1981797,CHEMBL1984244,CHEMBL1984584,CHEMBL1985696,CHEMBL1988416,CHEMBL1988648,CHEMBL1990598,CHEMBL1990694,CHEMBL1991136,CHEMBL1991303,CHEMBL1993431,CHEMBL1999014,CHEMBL1999049,CHEMBL2001648,CHEMBL2005437,CHEMBL2130584,CHEMBL2130621,CHEMBL2130991,CHEMBL2132689,CHEMBL2134789,CHEMBL213580,CHEMBL2137334,CHEMBL2139295,CHEMBL2139498,CHEMBL2140569,CHEMBL2143481,CHEMBL2144242,CHEMBL2144534,CHEMBL2144540,CHEMBL260148,CHEMBL309016,CHEMBL309474,CHEMBL327502,CHEMBL335619,CHEMBL367376,CHEMBL423192,CHEMBL428064,CHEMBL429095,CHEMBL432044,CHEMBL45152,CHEMBL505670,CHEMBL509617,CHEMBL518575,CHEMBL523200,CHEMBL528199,CHEMBL533293,CHEMBL535307,CHEMBL578929,CHEMBL58,CHEMBL582983,CHEMBL587994,CHEMBL598263,CHEMBL598477,CHEMBL599098,CHEMBL601543,CHEMBL607553,CHEMBL610198,CHEMBL61559}
@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.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.032 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.036 numeric
@attribute C.037 numeric
@attribute C.038 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute C.044 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_AP numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_DD numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_DP numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AN numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DN numeric
@attribute CATS2D_02_DP numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_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_NN numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DN numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_NN 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_05_PP 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_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DN numeric
@attribute CATS2D_07_DP numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AN numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DN numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_08_PN numeric
@attribute CATS2D_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_DP numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CATS2D_09_PL 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.086 numeric
@attribute Cl.087 numeric
@attribute Cl.089 numeric
@attribute Cl.090 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr03 numeric
@attribute D.Dtr04 numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr07 numeric
@attribute D.Dtr08 numeric
@attribute D.Dtr09 numeric
@attribute D.Dtr10 numeric
@attribute D.Dtr11 numeric
@attribute D.Dtr12 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute Depressant.50 numeric
@attribute Depressant.80 numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.dm. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.dm. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.dm. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.dm. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.dm. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.dm. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.dm. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.dm. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_epsi_A numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_x numeric
@attribute Eta_sh_y numeric
@attribute F.083 numeric
@attribute F.084 numeric
@attribute GATS1e numeric
@attribute GATS1i numeric
@attribute GATS1m numeric
@attribute GATS1p numeric
@attribute GATS1s numeric
@attribute GATS1v numeric
@attribute GATS2e numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS2v numeric
@attribute GATS3e numeric
@attribute GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS3s numeric
@attribute GATS3v numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute GATS4m numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5i numeric
@attribute GATS5m numeric
@attribute GATS5p numeric
@attribute GATS5s numeric
@attribute GATS5v numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS6m numeric
@attribute GATS6p numeric
@attribute GATS6s numeric
@attribute GATS6v numeric
@attribute GATS7e numeric
@attribute GATS7i numeric
@attribute GATS7m numeric
@attribute GATS7p numeric
@attribute GATS7s numeric
@attribute GATS7v numeric
@attribute GATS8e numeric
@attribute GATS8i numeric
@attribute GATS8m numeric
@attribute GATS8p numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute GGI1 numeric
@attribute GGI10 numeric
@attribute GGI2 numeric
@attribute GGI3 numeric
@attribute GGI4 numeric
@attribute GGI5 numeric
@attribute GGI6 numeric
@attribute GGI7 numeric
@attribute GGI8 numeric
@attribute GGI9 numeric
@attribute GMTI numeric
@attribute GMTIV numeric
@attribute GNar numeric
@attribute H. numeric
@attribute H.046 numeric
@attribute H.047 numeric
@attribute H.048 numeric
@attribute H.049 numeric
@attribute H.050 numeric
@attribute H.051 numeric
@attribute H.052 numeric
@attribute H.053 numeric
@attribute H.054 numeric
@attribute HDcpx numeric
@attribute HNar numeric
@attribute HVcpx numeric
@attribute Hy numeric
@attribute Hypertens.50 numeric
@attribute Hypertens.80 numeric
@attribute Hypnotic.50 numeric
@attribute Hypnotic.80 numeric
@attribute I.100 numeric
@attribute IAC numeric
@attribute IC0 numeric
@attribute IC1 numeric
@attribute IC2 numeric
@attribute IC3 numeric
@attribute IC4 numeric
@attribute IC5 numeric
@attribute ICR numeric
@attribute IDDE numeric
@attribute IDDM numeric
@attribute IDE numeric
@attribute IDET numeric
@attribute IDM numeric
@attribute IDMT numeric
@attribute Infective.50 numeric
@attribute Infective.80 numeric
@attribute Inflammat.50 numeric
@attribute Inflammat.80 numeric
@attribute ISIZ numeric
@attribute IVDE numeric
@attribute IVDM numeric
@attribute JGI1 numeric
@attribute JGI10 numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute JGI5 numeric
@attribute JGI6 numeric
@attribute JGI7 numeric
@attribute JGI8 numeric
@attribute JGI9 numeric
@attribute JGT numeric
@attribute LLS_01 numeric
@attribute LLS_02 numeric
@attribute LOC numeric
@attribute LPRS numeric
@attribute MATS1e numeric
@attribute MATS1i numeric
@attribute MATS1m numeric
@attribute MATS1p numeric
@attribute MATS1s numeric
@attribute MATS1v numeric
@attribute MATS2e numeric
@attribute MATS2i numeric
@attribute MATS2m numeric
@attribute MATS2p numeric
@attribute MATS2s numeric
@attribute MATS2v numeric
@attribute MATS3e numeric
@attribute MATS3i numeric
@attribute MATS3m numeric
@attribute MATS3p numeric
@attribute MATS3s numeric
@attribute MATS3v numeric
@attribute MATS4e numeric
@attribute MATS4i numeric
@attribute MATS4m numeric
@attribute MATS4p numeric
@attribute MATS4s numeric
@attribute MATS4v numeric
@attribute MATS5e numeric
@attribute MATS5i numeric
@attribute MATS5m numeric
@attribute MATS5p numeric
@attribute MATS5s numeric
@attribute MATS5v numeric
@attribute MATS6e numeric
@attribute MATS6i numeric
@attribute MATS6m numeric
@attribute MATS6p numeric
@attribute MATS6s numeric
@attribute MATS6v numeric
@attribute MATS7e numeric
@attribute MATS7i numeric
@attribute MATS7m numeric
@attribute MATS7p numeric
@attribute MATS7s numeric
@attribute MATS7v numeric
@attribute MATS8e numeric
@attribute MATS8i numeric
@attribute MATS8m numeric
@attribute MATS8p numeric
@attribute MATS8s numeric
@attribute MATS8v numeric
@attribute MAXDN numeric
@attribute MAXDP numeric
@attribute MCD numeric
@attribute MDDD numeric
@attribute Me numeric
@attribute Mi numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute Mp numeric
@attribute MPC01 numeric
@attribute MPC02 numeric
@attribute MPC03 numeric
@attribute MPC04 numeric
@attribute MPC05 numeric
@attribute MPC06 numeric
@attribute MPC07 numeric
@attribute MPC08 numeric
@attribute MPC09 numeric
@attribute MPC10 numeric
@attribute MSD numeric
@attribute Mv numeric
@attribute MW numeric
@attribute MWC01 numeric
@attribute MWC02 numeric
@attribute MWC03 numeric
@attribute MWC04 numeric
@attribute MWC05 numeric
@attribute MWC06 numeric
@attribute MWC07 numeric
@attribute MWC08 numeric
@attribute MWC09 numeric
@attribute MWC10 numeric
@attribute N. numeric
@attribute N.066 numeric
@attribute N.067 numeric
@attribute N.068 numeric
@attribute N.069 numeric
@attribute N.070 numeric
@attribute N.071 numeric
@attribute N.072 numeric
@attribute N.073 numeric
@attribute N.074 numeric
@attribute N.075 numeric
@attribute N.076 numeric
@attribute N.077 numeric
@attribute N.078 numeric
@attribute N.079 numeric
@attribute n124.Triazines numeric
@attribute n135.Triazines numeric
@attribute NaaaC numeric
@attribute NaaCH numeric
@attribute NaaN numeric
@attribute NaaNH numeric
@attribute NaaO numeric
@attribute NaaS numeric
@attribute NaasC numeric
@attribute NaasN numeric
@attribute nAB numeric
@attribute nArCHO numeric
@attribute nArCN numeric
@attribute nArC.N numeric
@attribute nArCNO numeric
@attribute nArCO numeric
@attribute nArCONHR numeric
@attribute nArCONR2 numeric
@attribute nArCOOH numeric
@attribute nArCOOR numeric
@attribute nArNH2 numeric
@attribute nArNHR numeric
@attribute nArNO2 numeric
@attribute nArNR2 numeric
@attribute nArOCON numeric
@attribute nArOH numeric
@attribute nArOR numeric
@attribute nArSCN numeric
@attribute nArX numeric
@attribute nAT numeric
@attribute nBeta.Lactams numeric
@attribute nBM numeric
@attribute nBnz numeric
@attribute nBO numeric
@attribute nBR numeric
@attribute nBT numeric
@attribute nC numeric
@attribute nCar numeric
@attribute nCb. numeric
@attribute nCbH numeric
@attribute nCconj numeric
@attribute nCconjX numeric
@attribute nCH2RX numeric
@attribute nCIC numeric
@attribute nCIR numeric
@attribute nCL numeric
@attribute nC.N.N. numeric
@attribute nC..N.N2 numeric
@attribute nCONN numeric
@attribute nCp numeric
@attribute nCq numeric
@attribute nCR2X2 numeric
@attribute nCrq numeric
@attribute nCrs numeric
@attribute nCrt numeric
@attribute nCRX3 numeric
@attribute nCs numeric
@attribute nCsp numeric
@attribute nCsp2 numeric
@attribute nCsp3 numeric
@attribute nCt numeric
@attribute nCXr. numeric
@attribute nDB numeric
@attribute NdCH2 numeric
@attribute NddsN numeric
@attribute NddssS numeric
@attribute NdNH numeric
@attribute NdO numeric
@attribute NdS numeric
@attribute NdsCH numeric
@attribute NdsN numeric
@attribute NdssC numeric
@attribute NdssS numeric
@attribute NdsssP numeric
@attribute Neoplastic.50 numeric
@attribute Neoplastic.80 numeric
@attribute nF numeric
@attribute nFuranes numeric
@attribute nH numeric
@attribute nHAcc numeric
@attribute nHDon numeric
@attribute nHet numeric
@attribute nHM numeric
@attribute nI numeric
@attribute nImidazoles numeric
@attribute nIsothiazoles numeric
@attribute nIsoxazoles numeric
@attribute nN numeric
@attribute nN. numeric
@attribute nN.C.N. numeric
@attribute nN.CO.2 numeric
@attribute nN.N numeric
@attribute NNRS numeric
@attribute nO numeric
@attribute nOHp numeric
@attribute nOHs numeric
@attribute nOHt numeric
@attribute nOxazoles numeric
@attribute nOxiranes numeric
@attribute nOxolanes numeric
@attribute nP numeric
@attribute nP..O.O2R numeric
@attribute nPyrazines numeric
@attribute nPyrazoles numeric
@attribute nPyridazines numeric
@attribute nPyridines numeric
@attribute nPyrimidines numeric
@attribute nPyrroles numeric
@attribute nPyrrolidines numeric
@attribute nR03 numeric
@attribute nR04 numeric
@attribute nR05 numeric
@attribute nR06 numeric
@attribute nR07 numeric
@attribute nR08 numeric
@attribute nR09 numeric
@attribute nR10 numeric
@attribute nR11 numeric
@attribute nR12 numeric
@attribute nR.C. numeric
@attribute nRCHO numeric
@attribute nR.CH.X numeric
@attribute nRCN numeric
@attribute nRCNO numeric
@attribute nRCO numeric
@attribute nRCONHR numeric
@attribute nRCONR2 numeric
@attribute nRCOOH numeric
@attribute nRCOOR numeric
@attribute nR.Cp numeric
@attribute nR.CRX numeric
@attribute nR.Cs numeric
@attribute nR.Ct numeric
@attribute nR.CX2 numeric
@attribute nRNH2 numeric
@attribute nRNHR numeric
@attribute nRNO2 numeric
@attribute nRNR2 numeric
@attribute nROCON numeric
@attribute nROH numeric
@attribute nROR numeric
@attribute NRS numeric
@attribute nRSR numeric
@attribute nRSSR numeric
@attribute nS numeric
@attribute NsBr numeric
@attribute NsCH3 numeric
@attribute NsCl numeric
@attribute NsF numeric
@attribute NsI numeric
@attribute nSK numeric
@attribute NsNH2 numeric
@attribute nSO numeric
@attribute nS..O.2 numeric
@attribute nSO2N numeric
@attribute nSO2OH numeric
@attribute nSO3 numeric
@attribute NsOH numeric
@attribute NssCH2 numeric
@attribute NsSH numeric
@attribute NssNH numeric
@attribute NssO numeric
@attribute NssS numeric
@attribute NsssCH numeric
@attribute NsssN numeric
@attribute NssssC numeric
@attribute nTB numeric
@attribute NtCH numeric
@attribute nThiazoles numeric
@attribute nThiophenes numeric
@attribute NtN numeric
@attribute nTriazoles numeric
@attribute NtsC numeric
@attribute nX numeric
@attribute O. numeric
@attribute O.056 numeric
@attribute O.057 numeric
@attribute O.058 numeric
@attribute O.059 numeric
@attribute O.060 numeric
@attribute O.061 numeric
@attribute ON0 numeric
@attribute ON0V numeric
@attribute ON1 numeric
@attribute ON1V numeric
@attribute P.120 numeric
@attribute PCD numeric
@attribute PCR numeric
@attribute PDI numeric
@attribute PHI numeric
@attribute piID numeric
@attribute piPC01 numeric
@attribute piPC02 numeric
@attribute piPC03 numeric
@attribute piPC04 numeric
@attribute piPC05 numeric
@attribute piPC06 numeric
@attribute piPC07 numeric
@attribute piPC08 numeric
@attribute piPC09 numeric
@attribute piPC10 numeric
@attribute PJI2 numeric
@attribute Pol numeric
@attribute Psi_e_0 numeric
@attribute Psi_e_0d numeric
@attribute Psi_e_1 numeric
@attribute Psi_e_A numeric
@attribute Psi_i_0 numeric
@attribute Psi_i_0d numeric
@attribute Psi_i_1 numeric
@attribute Psi_i_1d numeric
@attribute Psi_i_A numeric
@attribute Psi_i_s numeric
@attribute Psi_i_t numeric
@attribute Psychotic.50 numeric
@attribute Psychotic.80 numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_e_2 numeric
@attribute P_VSA_e_3 numeric
@attribute P_VSA_e_4 numeric
@attribute P_VSA_e_5 numeric
@attribute P_VSA_e_6 numeric
@attribute P_VSA_i_1 numeric
@attribute P_VSA_i_2 numeric
@attribute P_VSA_i_3 numeric
@attribute P_VSA_i_4 numeric
@attribute P_VSA_LogP_1 numeric
@attribute P_VSA_LogP_2 numeric
@attribute P_VSA_LogP_3 numeric
@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_LogP_6 numeric
@attribute P_VSA_LogP_7 numeric
@attribute P_VSA_LogP_8 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_m_2 numeric
@attribute P_VSA_m_3 numeric
@attribute P_VSA_m_4 numeric
@attribute P_VSA_m_5 numeric
@attribute P_VSA_MR_1 numeric
@attribute P_VSA_MR_2 numeric
@attribute P_VSA_MR_3 numeric
@attribute P_VSA_MR_4 numeric
@attribute P_VSA_MR_5 numeric
@attribute P_VSA_MR_6 numeric
@attribute P_VSA_MR_7 numeric
@attribute P_VSA_MR_8 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_p_2 numeric
@attribute P_VSA_p_3 numeric
@attribute P_VSA_p_4 numeric
@attribute P_VSA_s_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_s_3 numeric
@attribute P_VSA_s_4 numeric
@attribute P_VSA_s_5 numeric
@attribute P_VSA_s_6 numeric
@attribute P_VSA_v_1 numeric
@attribute P_VSA_v_2 numeric
@attribute P_VSA_v_3 numeric
@attribute P_VSA_v_4 numeric
@attribute PW2 numeric
@attribute PW3 numeric
@attribute PW4 numeric
@attribute PW5 numeric
@attribute Qindex numeric
@attribute Ram numeric
@attribute RBF numeric
@attribute RBN numeric
@attribute Rbrid numeric
@attribute RCI numeric
@attribute RDCHI numeric
@attribute RDSQ numeric
@attribute RFD numeric
@attribute Rperim numeric
@attribute S0K numeric
@attribute S.106 numeric
@attribute S.107 numeric
@attribute S.108 numeric
@attribute S.109 numeric
@attribute S.110 numeric
@attribute S1K numeric
@attribute S2K numeric
@attribute S3K numeric
@attribute SaaaC numeric
@attribute SAacc numeric
@attribute SaaCH numeric
@attribute SaaN numeric
@attribute SaaNH numeric
@attribute SaaO numeric
@attribute SaaS numeric
@attribute SaasC numeric
@attribute SaasN numeric
@attribute SAdon numeric
@attribute SAtot numeric
@attribute SCBO numeric
@attribute SdCH2 numeric
@attribute SddsN numeric
@attribute SddssS numeric
@attribute SdNH numeric
@attribute SdO numeric
@attribute SdS numeric
@attribute SdsCH numeric
@attribute SdsN numeric
@attribute SdssC numeric
@attribute SdssS numeric
@attribute SdsssP numeric
@attribute Se numeric
@attribute Si numeric
@attribute SIC0 numeric
@attribute SIC1 numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute SIC4 numeric
@attribute SIC5 numeric
@attribute SM02_AEA.bo. numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_AEA.ed. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM02_EA numeric
@attribute SM02_EA.bo. numeric
@attribute SM02_EA.dm. numeric
@attribute SM02_EA.ed. numeric
@attribute SM02_EA.ri. numeric
@attribute SM03_AEA.bo. numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ed. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM03_EA numeric
@attribute SM03_EA.bo. numeric
@attribute SM03_EA.dm. numeric
@attribute SM03_EA.ed. numeric
@attribute SM03_EA.ri. numeric
@attribute SM04_AEA.bo. numeric
@attribute SM04_AEA.dm. numeric
@attribute SM04_AEA.ed. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM04_EA numeric
@attribute SM04_EA.bo. numeric
@attribute SM04_EA.dm. numeric
@attribute SM04_EA.ed. numeric
@attribute SM04_EA.ri. numeric
@attribute SM05_AEA.bo. numeric
@attribute SM05_AEA.dm. numeric
@attribute SM05_AEA.ed. numeric
@attribute SM05_AEA.ri. numeric
@attribute SM05_EA numeric
@attribute SM05_EA.bo. numeric
@attribute SM05_EA.dm. numeric
@attribute SM05_EA.ed. numeric
@attribute SM05_EA.ri. numeric
@attribute SM06_AEA.bo. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM06_AEA.ed. numeric
@attribute SM06_AEA.ri. numeric
@attribute SM06_EA numeric
@attribute SM06_EA.bo. numeric
@attribute SM06_EA.dm. numeric
@attribute SM06_EA.ed. numeric
@attribute SM06_EA.ri. numeric
@attribute SM07_AEA.bo. numeric
@attribute SM07_AEA.dm. numeric
@attribute SM07_AEA.ed. numeric
@attribute SM07_AEA.ri. numeric
@attribute SM07_EA numeric
@attribute SM07_EA.bo. numeric
@attribute SM07_EA.dm. numeric
@attribute SM07_EA.ed. numeric
@attribute SM07_EA.ri. numeric
@attribute SM08_AEA.bo. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM08_AEA.ed. numeric
@attribute SM08_AEA.ri. numeric
@attribute SM08_EA numeric
@attribute SM08_EA.bo. numeric
@attribute SM08_EA.dm. numeric
@attribute SM08_EA.ed. numeric
@attribute SM08_EA.ri. numeric
@attribute SM09_AEA.bo. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM09_AEA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute SM09_EA numeric
@attribute SM09_EA.bo. numeric
@attribute SM09_EA.dm. numeric
@attribute SM09_EA.ed. numeric
@attribute SM09_EA.ri. numeric
@attribute SM10_AEA.bo. numeric
@attribute SM10_AEA.dm. numeric
@attribute SM10_AEA.ed. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM10_EA numeric
@attribute SM10_EA.bo. numeric
@attribute SM10_EA.dm. numeric
@attribute SM10_EA.ed. numeric
@attribute SM10_EA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SM11_AEA.dm. numeric
@attribute SM11_AEA.ed. numeric
@attribute SM11_AEA.ri. numeric
@attribute SM11_EA numeric
@attribute SM11_EA.bo. numeric
@attribute SM11_EA.dm. numeric
@attribute SM11_EA.ed. numeric
@attribute SM11_EA.ri. numeric
@attribute SM12_AEA.bo. numeric
@attribute SM12_AEA.dm. numeric
@attribute SM12_AEA.ed. numeric
@attribute SM12_AEA.ri. numeric
@attribute SM12_EA numeric
@attribute SM12_EA.bo. numeric
@attribute SM12_EA.dm. numeric
@attribute SM12_EA.ed. numeric
@attribute SM12_EA.ri. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM13_AEA.dm. numeric
@attribute SM13_AEA.ed. numeric
@attribute SM13_AEA.ri. numeric
@attribute SM13_EA numeric
@attribute SM13_EA.bo. numeric
@attribute SM13_EA.dm. numeric
@attribute SM13_EA.ed. numeric
@attribute SM13_EA.ri. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM14_AEA.dm. numeric
@attribute SM14_AEA.ed. numeric
@attribute SM14_AEA.ri. numeric
@attribute SM14_EA numeric
@attribute SM14_EA.bo. numeric
@attribute SM14_EA.dm. numeric
@attribute SM14_EA.ed. numeric
@attribute SM14_EA.ri. numeric
@attribute SM15_AEA.bo. numeric
@attribute SM15_AEA.dm. numeric
@attribute SM15_AEA.ed. numeric
@attribute SM15_AEA.ri. numeric
@attribute SM15_EA numeric
@attribute SM15_EA.bo. numeric
@attribute SM15_EA.dm. numeric
@attribute SM15_EA.ed. numeric
@attribute SM15_EA.ri. numeric
@attribute SMTI numeric
@attribute SMTIV numeric
@attribute SNar numeric
@attribute Sp numeric
@attribute SpAD_AEA.bo. numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpAD_AEA.ed. numeric
@attribute SpAD_AEA.ri. numeric
@attribute SpAD_EA numeric
@attribute SpAD_EA.bo. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpAD_EA.ed. numeric
@attribute SpAD_EA.ri. numeric
@attribute SpDiam_AEA.bo. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute SpDiam_AEA.ed. numeric
@attribute SpDiam_AEA.ri. numeric
@attribute SpDiam_EA numeric
@attribute SpDiam_EA.bo. numeric
@attribute SpDiam_EA.dm. numeric
@attribute SpDiam_EA.ed. numeric
@attribute SpDiam_EA.ri. numeric
@attribute SPI numeric
@attribute SpMAD_AEA.bo. numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute SpMAD_AEA.ri. numeric
@attribute SpMAD_EA numeric
@attribute SpMAD_EA.bo. numeric
@attribute SpMAD_EA.dm. numeric
@attribute SpMAD_EA.ed. numeric
@attribute SpMAD_EA.ri. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.i. numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax1_Bh.p. numeric
@attribute SpMax1_Bh.s. numeric
@attribute SpMax1_Bh.v. numeric
@attribute SpMax2_Bh.e. numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.m. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.s. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.p. numeric
@attribute SpMax4_Bh.s. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMax5_Bh.e. numeric
@attribute SpMax5_Bh.i. numeric
@attribute SpMax5_Bh.m. numeric
@attribute SpMax5_Bh.p. numeric
@attribute SpMax5_Bh.s. numeric
@attribute SpMax5_Bh.v. numeric
@attribute SpMax6_Bh.e. numeric
@attribute SpMax6_Bh.i. numeric
@attribute SpMax6_Bh.m. numeric
@attribute SpMax6_Bh.p. numeric
@attribute SpMax6_Bh.s. numeric
@attribute SpMax6_Bh.v. numeric
@attribute SpMax7_Bh.e. numeric
@attribute SpMax7_Bh.i. numeric
@attribute SpMax7_Bh.m. numeric
@attribute SpMax7_Bh.p. numeric
@attribute SpMax7_Bh.s. numeric
@attribute SpMax7_Bh.v. numeric
@attribute SpMax8_Bh.e. numeric
@attribute SpMax8_Bh.i. numeric
@attribute SpMax8_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute SpMaxA_EA numeric
@attribute SpMax_AEA.bo. numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMax_AEA.dm. numeric
@attribute SpMaxA_EA.dm. numeric
@attribute SpMax_AEA.ed. numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax_AEA.ri. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMax_EA numeric
@attribute SpMax_EA.bo. numeric
@attribute SpMax_EA.dm. numeric
@attribute SpMax_EA.ed. numeric
@attribute SpMax_EA.ri. numeric
@attribute SpMin1_Bh.e. numeric
@attribute SpMin1_Bh.i. numeric
@attribute SpMin1_Bh.m. numeric
@attribute SpMin1_Bh.p. numeric
@attribute SpMin1_Bh.s. numeric
@attribute SpMin1_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin2_Bh.m. numeric
@attribute SpMin2_Bh.p. numeric
@attribute SpMin2_Bh.s. numeric
@attribute SpMin2_Bh.v. numeric
@attribute SpMin3_Bh.e. numeric
@attribute SpMin3_Bh.i. numeric
@attribute SpMin3_Bh.m. numeric
@attribute SpMin3_Bh.p. numeric
@attribute SpMin3_Bh.s. numeric
@attribute SpMin3_Bh.v. numeric
@attribute SpMin4_Bh.e. numeric
@attribute SpMin4_Bh.i. numeric
@attribute SpMin4_Bh.m. numeric
@attribute SpMin4_Bh.p. numeric
@attribute SpMin4_Bh.s. numeric
@attribute SpMin4_Bh.v. numeric
@attribute SpMin5_Bh.e. numeric
@attribute SpMin5_Bh.i. numeric
@attribute SpMin5_Bh.m. numeric
@attribute SpMin5_Bh.p. numeric
@attribute SpMin5_Bh.s. numeric
@attribute SpMin5_Bh.v. numeric
@attribute SpMin6_Bh.e. numeric
@attribute SpMin6_Bh.i. numeric
@attribute SpMin6_Bh.m. numeric
@attribute SpMin6_Bh.p. numeric
@attribute SpMin6_Bh.s. numeric
@attribute SpMin6_Bh.v. numeric
@attribute SpMin7_Bh.e. numeric
@attribute SpMin7_Bh.i. numeric
@attribute SpMin7_Bh.m. numeric
@attribute SpMin7_Bh.p. numeric
@attribute SpMin7_Bh.s. numeric
@attribute SpMin7_Bh.v. numeric
@attribute SpMin8_Bh.e. numeric
@attribute SpMin8_Bh.i. numeric
@attribute SpMin8_Bh.m. numeric
@attribute SpMin8_Bh.p. numeric
@attribute SpMin8_Bh.s. numeric
@attribute SpMin8_Bh.v. numeric
@attribute SRW02 numeric
@attribute SRW03 numeric
@attribute SRW04 numeric
@attribute SRW05 numeric
@attribute SRW06 numeric
@attribute SRW07 numeric
@attribute SRW08 numeric
@attribute SRW09 numeric
@attribute SRW10 numeric
@attribute SsBr numeric
@attribute SsCH3 numeric
@attribute SsCl numeric
@attribute SsF numeric
@attribute SsI numeric
@attribute SsNH2 numeric
@attribute SsOH numeric
@attribute SssCH2 numeric
@attribute SsSH numeric
@attribute SssNH numeric
@attribute SssO numeric
@attribute SssS numeric
@attribute SsssCH numeric
@attribute SsssN numeric
@attribute SssssC numeric
@attribute StCH numeric
@attribute StN numeric
@attribute StsC numeric
@attribute Sv numeric
@attribute TIC0 numeric
@attribute TIC1 numeric
@attribute TIC2 numeric
@attribute TIC3 numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute TIE numeric
@attribute TPC numeric
@attribute TPSA.NO. numeric
@attribute TPSA.Tot. numeric
@attribute TRS numeric
@attribute TWC numeric
@attribute Uc numeric
@attribute Ui numeric
@attribute Uindex numeric
@attribute UNIP numeric
@attribute VAR numeric
@attribute Vindex numeric
@attribute VvdwMG numeric
@attribute VvdwZAZ numeric
@attribute Vx numeric
@attribute Wap numeric
@attribute X. numeric
@attribute X0 numeric
@attribute X0A numeric
@attribute X0Av numeric
@attribute X0sol numeric
@attribute X0v numeric
@attribute X1 numeric
@attribute X1A numeric
@attribute X1Av numeric
@attribute X1Kup numeric
@attribute X1Mad numeric
@attribute X1MulPer numeric
@attribute X1Per numeric
@attribute X1sol numeric
@attribute X1v numeric
@attribute X2 numeric
@attribute X2A numeric
@attribute X2Av numeric
@attribute X2sol numeric
@attribute X2v numeric
@attribute X3 numeric
@attribute X3A numeric
@attribute X3Av numeric
@attribute X3sol numeric
@attribute X3v numeric
@attribute X4 numeric
@attribute X4A numeric
@attribute X4Av numeric
@attribute X4sol numeric
@attribute X4v numeric
@attribute X5 numeric
@attribute X5A numeric
@attribute X5Av numeric
@attribute X5sol numeric
@attribute X5v numeric
@attribute Xindex numeric
@attribute XMOD numeric
@attribute Xt numeric
@attribute Xu numeric
@attribute Yindex numeric
@attribute ZM1 numeric
@attribute ZM1Kup numeric
@attribute ZM1Mad numeric
@attribute ZM1MulPer numeric
@attribute ZM1Per numeric
@attribute ZM1V numeric
@attribute ZM2 numeric
@attribute ZM2Kup numeric
@attribute ZM2Mad numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute pXC50 numeric

@data
{1 1.423,2 12.741,3 3.357,4 11.271,5 105.416,6 7.839,7 0.429,8 3.939,9 4.018,10 3.509,11 3.454,12 5.239,13 3.458,14 4.36,15 4.48,16 3.802,17 3.758,18 5.638,19 3.754,20 4.561,21 4.685,22 3.888,23 3.872,24 5.92,25 3.848,26 4.646,27 4.817,28 3.757,29 3.843,30 5.94,31 3.782,32 4.634,33 4.841,34 3.614,35 3.768,36 5.833,37 3.69,38 4.509,39 4.707,40 3.517,41 3.655,42 5.72,43 3.58,44 4.414,45 4.625,46 3.548,47 3.534,48 5.707,49 3.485,50 4.3,51 4.465,52 3.522,53 3.448,54 5.796,55 3.431,56 0.14,57 0.559,58 8.817,59 4.589,60 18.577,61 5.004,62 0.277,63 0.831,64 15.043,65 6.863,66 24.263,67 7.761,68 0.523,69 0.996,70 18.935,71 8.23,72 55.726,73 9.428,74 0.525,75 1.071,76 22.413,77 8.978,78 72.455,79 10.87,80 0.529,81 1.045,82 23.847,83 8.837,84 69.861,85 11.037,86 0.428,87 0.925,88 20.513,89 7.817,90 60.599,91 9.712,92 0.507,93 0.831,94 19.285,95 7.052,96 60.686,97 9.142,98 0.512,99 0.728,100 16.373,101 6.032,102 78.857,103 7.178,104 41,105 37,106 0.243,107 0.57,108 0.703,109 0.79,110 0.805,111 0.819,112 3.338,113 0.854,114 -2.97,115 -2.98,116 -2.87,119 44.7,124 2,134 5,137 1,141 6,142 2,143 4,154 1,171 10,174 4,179 4,182 12,186 5,189 2,191 5,194 10,199 6,202 1,204 4,207 5,213 5,218 5,221 6,226 2,231 4,234 5,238 1,239 4,242 1,244 2,247 6,251 1,254 1,255 1,256 3,259 7,263 1,264 2,267 1,271 6,274 1192,275 17.894,276 17.894,277 17.894,278 17.894,279 17.894,280 15.716,281 13.599,282 10.554,283 18.31,284 13.643,285 13.643,286 13.643,287 13.643,288 13.643,289 10.19,290 11.86,291 4.841,292 14.156,293 4.132,294 2.217,295 1.434,296 0.926,297 0.841,298 0.756,299 4.002,304 1,305 1,306 1,307 704,308 4,312 217.994,319 2.085,320 37.754,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 60,332 344,333 4.256,334 3.396,335 6.069,336 3.832,337 2.87,338 3.912,339 0.86,340 8.759,341 2.764,342 4.251,343 3.127,344 6.069,345 3.827,346 2.867,347 3.908,348 0.86,349 8.758,350 2.753,351 3.992,352 3.125,353 5.363,354 3.559,355 2.558,356 3.376,358 6.972,359 2.556,360 3.674,361 2.553,362 5.239,363 3.263,364 2.284,365 3.008,367 6.56,368 2.221,369 3.545,370 2.311,371 5.159,372 3.157,373 2.177,374 2.862,376 6.358,377 2.121,378 3.285,379 2.252,380 4.604,381 2.882,382 1.888,383 2.444,385 4.94,386 1.855,387 2.884,388 1.982,389 4.206,390 2.463,391 1.531,392 2.022,394 3.837,395 1.42,396 2.884,397 1.981,398 4.205,399 2.463,400 1.531,401 2.021,403 3.836,404 1.419,405 2.468,406 0.97,407 3.275,408 1.751,409 0.761,410 1.182,412 1.771,413 0.751,414 2.294,415 0.942,416 3.041,417 1.589,418 0.618,419 0.898,421 1.344,422 0.591,423 1.723,424 0.937,425 2.864,426 1.403,427 0.517,428 0.605,430 0.87,431 0.454,432 1.72,433 0.811,434 2.844,435 1.381,436 0.479,437 0.584,439 0.815,440 0.429,441 1.157,442 0.379,443 2.536,444 0.821,445 -0.11,446 -0.13,448 -0.212,449 -0.1,450 1.133,451 0.263,452 2.274,453 0.751,454 -0.177,455 -0.217,457 -0.328,458 -0.16,459 0.888,460 0.153,461 2.163,462 0.462,463 -0.528,464 -0.679,466 -1.24,467 -0.509,468 12.5,469 0.463,470 0.664,471 0.025,472 36,473 1.333,474 20,475 0.741,476 16,477 0.593,478 18.098,479 0.67,480 29.5,481 0.628,482 29.58,483 1.096,484 7.915,485 0.293,486 5.008,487 0.185,488 0.187,490 0.32,493 0.935,494 1.033,495 0.807,496 1.008,497 0.925,498 0.899,499 1.009,500 0.992,501 0.836,502 0.967,503 0.688,504 0.877,505 0.957,506 1.144,507 1.028,508 1.143,509 1.015,510 1.112,511 0.966,512 1.148,513 1.084,514 1.154,515 0.923,516 1.152,517 1.034,518 0.95,519 1.04,520 0.956,521 1.073,522 0.991,523 1.006,524 1.057,525 1.06,526 1.062,527 1.211,528 1.073,529 0.725,530 0.916,531 0.732,532 0.906,533 0.946,534 0.838,535 1.05,536 1.005,537 0.934,538 0.991,539 1.108,540 0.943,541 6.5,542 0.074,543 3.111,544 1.625,545 1.547,546 0.583,547 0.529,548 0.424,549 0.189,550 0.242,551 9488,552 31906,553 1.933,554 42.6,556 17,559 3,564 1.694,565 1.78,566 3.643,567 0.908,568 1,569 1,573 66.879,574 1.423,575 3.338,576 4.121,577 4.629,578 4.714,579 4.799,580 3.051,581 3.792,582 4.73,583 3.852,584 1352.14,585 8.17,586 18987.1,588 1,590 1,591 261.066,592 1.51,593 4.664,594 0.232,595 0.004,596 0.084,597 0.043,598 0.048,599 0.021,600 0.021,601 0.016,602 0.008,603 0.012,604 0.489,605 0.33,606 1,607 0.936,608 138.543,609 -0.119,610 0.045,611 -0.018,612 0.05,613 -0.178,614 0.044,615 -0.119,616 0.048,617 0.029,618 0.06,619 -0.006,620 0.079,621 0.017,622 -0.121,623 -0.135,624 -0.135,625 -0.048,626 -0.168,627 -0.046,628 -0.159,629 -0.139,630 -0.165,631 -0.003,632 -0.175,633 -0.124,634 0.017,635 -0.048,636 0.02,637 -0.079,638 0.009,639 -0.11,640 -0.085,641 -0.083,642 -0.082,643 -0.151,644 -0.077,645 0.181,646 0.046,647 0.276,648 0.068,649 0.099,650 0.172,651 0.078,652 -0.028,653 0.063,654 -0.024,655 0.193,656 0.008,657 2.076,658 4.914,659 0.444,660 27.424,661 1.017,662 1.115,663 1.745,664 3.044,665 0.667,666 3.367,667 3.638,668 3.807,669 3.932,670 4.078,671 3.951,672 3.932,673 3.912,674 3.807,675 3.807,676 7.78,677 0.65,678 368.41,679 3.367,680 4.875,681 5.68,682 6.518,683 7.338,684 8.174,685 8.999,686 9.834,687 10.662,688 11.497,707 6,712 6,714 12,729 2,730 2,733 47,735 16,736 2,737 28,739 48,740 21,741 12,742 6,743 6,744 7,747 2,748 2,762 19,763 2,766 4,771 1,773 5,775 2,778 1,779 1,782 20,783 6,784 3,785 6,796 1,797 6,816 2,828 1,835 6,843 1,845 2,850 2,854 27,861 3,865 2,878 12.8,880 3,881 1,883 2,885 15.167,886 8.767,887 6.222,888 2.344,890 3.797,891 1.569,892 0.88,893 7.374,894 10.475,895 3.664,896 4.22,897 4.749,898 5.197,899 5.712,900 5.832,901 6.073,902 6.337,903 6.575,904 6.796,905 1,906 38,907 9.918,909 4.073,910 8.142,911 18.061,913 13.694,915 2.642,916 71.333,919 1,920 200.109,921 147.996,924 175.195,927 147.996,928 375.303,930 21.766,932 104.239,933 158.328,934 38.858,936 200.109,938 200.109,939 147.996,940 175.195,943 200.109,944 175.195,948 100.615,949 47.381,951 200.109,952 175.195,953 147.996,956 200.109,957 21.991,958 126.005,960 175.195,961 200.109,962 175.195,963 147.996,965 0.571,966 0.33,967 0.163,968 0.085,969 14,970 8,971 0.146,972 7,974 1,975 3.925,976 201.57,978 12,979 128.382,985 20.455,986 9.734,987 6.112,989 175.195,990 9.384,995 1.982,997 128.05,998 523.3,999 38,1004 11.914,1006 6.848,1008 -0.632,1011 47.8,1012 52.408,1013 0.256,1014 0.601,1015 0.742,1016 0.833,1017 0.849,1018 0.864,1019 4.868,1020 1.531,1021 5.652,1022 3.837,1023 4.317,1024 4.905,1025 1.376,1026 6.382,1027 4.254,1028 6.079,1029 0.761,1030 7.174,1031 3.836,1032 3.892,1033 4.663,1035 7.14,1036 3.789,1037 7.373,1038 0.618,1039 8.786,1040 1.771,1041 5.849,1042 7.063,1043 1.159,1044 10.125,1045 5.737,1046 8.699,1047 0.517,1048 10.449,1049 1.344,1050 6.176,1051 7.574,1053 11.631,1054 6.005,1055 10.051,1056 0.479,1057 12.142,1058 0.87,1059 7.616,1060 9.453,1061 0.963,1062 14.134,1063 7.448,1064 11.419,1065 -0.11,1066 13.856,1067 0.815,1068 8.295,1069 10.332,1071 15.975,1072 8.06,1073 12.8,1074 -0.177,1075 15.584,1076 -0.212,1077 9.517,1078 11.973,1079 0.787,1080 18.289,1081 9.282,1082 2.87,1083 -0.528,1084 17.325,1085 -0.328,1086 10.375,1087 13.054,1089 20.294,1090 10.073,1091 2.867,1092 8.759,1093 19.074,1094 -1.24,1095 11.498,1096 14.57,1097 0.634,1098 22.526,1099 11.186,1100 2.558,1101 8.758,1102 20.831,1103 3.912,1104 12.448,1105 15.767,1107 24.612,1108 12.075,1109 2.284,1110 6.972,1111 22.594,1112 3.908,1113 13.526,1114 17.215,1115 0.504,1116 26.809,1117 13.133,1118 2.177,1119 6.56,1120 24.363,1121 3.376,1122 14.523,1123 18.48,1125 28.936,1126 14.075,1127 1.888,1128 6.358,1129 26.137,1130 3.008,1131 15.582,1132 19.889,1133 0.395,1134 31.117,1135 15.107,1136 1.531,1137 4.94,1138 27.914,1139 2.862,1140 16.603,1141 21.194,1143 33.264,1144 16.078,1145 9546,1146 17612,1147 17.8,1148 31.341,1149 41.381,1150 41.714,1151 42.444,1152 40.17,1153 40.163,1154 53.646,1155 3.44,1156 109.641,1157 38.67,1158 4.914,1159 5.396,1160 5.593,1161 4.832,1162 4.87,1163 6.912,1164 1.72,1165 14.944,1166 4.764,1167 16.987,1168 1.478,1169 1.49,1170 1.516,1171 1.435,1172 1.434,1173 1.916,1174 0.123,1175 3.916,1176 1.381,1177 3.971,1178 3.986,1179 3.922,1180 3.898,1181 7.429,1182 3.9,1183 3.919,1184 3.933,1185 3.871,1186 3.849,1187 6.475,1188 3.851,1189 3.703,1190 3.712,1191 3.653,1192 3.584,1193 6.467,1194 3.597,1195 3.43,1196 3.455,1197 3.35,1198 3.3,1199 6.466,1200 3.306,1201 3.261,1202 3.321,1203 3.109,1204 3.012,1205 4.799,1206 3.027,1207 3.219,1208 3.285,1209 3.035,1210 2.951,1211 4.774,1212 2.958,1213 3.077,1214 3.109,1215 2.954,1216 2.902,1217 4.447,1218 2.903,1219 2.868,1220 2.884,1221 2.784,1222 2.665,1223 4.424,1224 2.673,1225 0.152,1226 0.121,1227 0.217,1228 0.137,1229 0.103,1230 4.256,1231 0.14,1232 3.396,1233 0.031,1234 6.069,1235 0.313,1236 3.832,1237 0.099,1238 2.87,1239 3.912,1240 0.86,1241 8.759,1242 2.764,1243 1.92,1244 1.905,1245 2.012,1246 2.013,1247 1.106,1248 2.011,1249 1.901,1250 1.886,1251 1.994,1252 1.995,1253 1.093,1254 1.993,1255 1.651,1256 1.639,1257 1.761,1258 1.8,1259 0.788,1260 1.784,1261 1.391,1262 1.365,1263 1.598,1264 1.579,1265 0.604,1266 1.582,1267 1.202,1268 1.138,1269 1.567,1270 1.51,1271 0.572,1272 1.528,1273 1.179,1274 1.105,1275 1.512,1276 1.462,1277 0.539,1278 1.479,1279 1.037,1280 0.999,1281 1.241,1282 1.245,1283 0.271,1284 1.238,1285 0.811,1286 0.757,1287 1.093,1288 1.062,1289 0.157,1290 1.04,1291 4.043,1293 5.323,1295 6.786,1297 8.331,1299 9.918,1301 2.874,1306 28.957,1310 10.006,1318 30.557,1319 66.879,1320 156.873,1321 193.682,1322 217.556,1323 221.556,1324 225.556,1325 74.732,1326 6.678,1327 96.22,1328 96.22,1329 12,1330 12.068,1331 4.087,1332 3.459,1333 58.941,1334 128,1335 100,1336 0.22,1337 192.126,1338 351.68,1339 460.548,1340 7110,1342 19.811,1343 0.734,1344 0.552,1345 19.811,1346 14.917,1347 12.922,1348 0.462,1349 0.285,1350 7.831,1351 12.34,1352 7.588,1353 6.379,1354 12.922,1355 7.974,1356 11.25,1357 0.304,1358 0.149,1359 11.25,1360 5.501,1361 8.931,1362 0.203,1363 0.081,1364 8.931,1365 3.584,1366 6.651,1367 0.133,1368 0.044,1369 6.651,1370 2.198,1371 5.07,1372 0.087,1373 0.024,1374 5.07,1375 1.408,1376 0.361,1377 82.074,1378 0.237,1379 26.777,1380 0.56,1381 130,1382 471.656,1383 144.172,1384 445.715,1385 582.23,1386 412,1387 146,1388 401.818,1389 159.51,1390 409.795,1391 582.33,1392 380,1393 4.968}
{0 CHEMBL1228,1 1.507,2 8.25,3 3.687,4 13.592,5 90.452,6 7.373,7 0.462,8 3.874,9 3.986,10 3.425,11 3.423,12 5.01,13 3.399,14 4.396,15 4.557,16 3.79,17 3.798,18 5.483,19 3.754,20 4.703,21 4.916,22 3.905,23 3.901,24 5.83,25 3.857,26 4.706,27 4.915,28 3.903,29 3.894,30 5.961,31 3.862,32 4.699,33 4.881,34 3.936,35 3.96,36 5.953,37 3.926,38 4.726,39 4.897,40 3.846,41 3.971,42 6.003,43 3.908,44 4.719,45 4.936,46 3.574,47 3.88,48 5.895,49 3.757,50 4.561,51 4.818,52 3.245,53 3.702,54 5.576,55 3.516,56 0.053,57 0.616,58 8.941,59 4.163,60 9.635,61 5.291,62 0.141,63 1.006,64 16.271,65 6.689,66 20.233,67 9.101,68 0.342,69 1.258,70 24.797,71 8.354,72 45.656,73 11.549,74 0.434,75 1.249,76 25.192,77 8.01,78 79.257,79 10.85,80 0.368,81 1.228,82 24.259,83 8.539,84 62.076,85 11.008,86 0.393,87 1.228,88 24.8,89 9.192,90 72.69,91 11.537,92 0.466,93 1.182,94 25.838,95 9.429,96 91.537,97 12.456,98 0.272,99 0.997,100 22.231,101 8.973,102 60.777,103 12.552,104 20,105 36,106 0.262,107 0.542,108 0.666,109 0.785,110 0.819,111 0.827,112 3.23,113 0.941,114 -4.41,115 -4.34,116 -4.09,119 43.2,120 1,121 3,122 1,141 9,143 3,156 2,164 1,171 10,173 2,174 8,179 2,182 9,185 2,186 12,191 2,194 6,198 1,199 13,207 5,213 13,216 1,221 12,226 9,229 1,234 17,239 1,242 1,244 1,247 15,254 1,256 3,259 11,269 3,271 5,274 838,275 16.32,276 16.32,277 16.32,278 16.32,279 16.32,280 14.631,281 17.36,282 9.837,283 16.452,284 12.778,285 12.778,286 12.778,287 12.778,288 12.778,289 10.245,290 25.05,291 4.61,292 12.992,293 3.952,294 2.342,295 1.626,296 0.943,297 0.744,298 0.699,299 3.908,304 1,305 1,306 1,307 415,308 2.646,311 67.297,312 151.194,319 1.208,320 30.603,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 52,332 198,333 4.56,334 4.137,335 7.184,336 4.375,337 3.401,338 3.888,339 2.166,340 12.579,341 3.31,342 4,343 3.393,344 6.021,345 3.598,346 2.621,347 3.565,348 1.722,349 8.384,350 2.558,351 3.859,352 2.934,353 6.005,354 3.528,355 2.538,356 3.287,357 0.215,358 8.349,359 2.502,360 3.508,361 2.663,362 5.12,363 3.171,364 2.21,365 2.762,366 0.109,367 6.117,368 2.113,369 3.24,370 2.376,371 4.922,372 2.839,373 1.827,374 2.398,376 5.064,377 1.84,378 2.952,379 1.904,380 4.626,381 2.612,382 1.607,383 2.068,385 4.424,386 1.605,387 2.66,388 1.692,389 3.672,390 2.442,391 1.436,392 1.668,394 2.953,395 1.44,396 2.5,397 1.321,398 3.554,399 2.109,400 1.117,401 1.5,403 2.564,404 1.106,405 2.5,406 1.202,407 3.414,408 2,409 1,410 1.5,412 2.275,413 1,414 2.33,415 1,416 3.247,417 2,418 1,419 1.304,421 2.136,422 1,423 1.802,424 1,425 3.013,426 1.51,427 0.471,428 0.543,430 0.878,431 0.485,432 1.313,433 0.579,434 2.914,435 0.945,436 -0.021,437 -0.026,439 -0.05,440 -0.02,441 1,442 0.234,443 2.274,444 0.806,445 -0.252,446 -0.301,448 -0.448,449 -0.263,450 0.865,451 0.063,452 2.191,453 0.47,454 -0.501,455 -0.634,457 -1.195,458 -0.481,459 0.532,460 -0.5,461 2.098,462 0.079,463 -0.927,464 -1.232,466 -2.181,467 -0.921,468 11.3,469 0.471,470 0.542,471 0.023,472 31.25,473 1.302,474 16.5,475 0.688,476 14.75,477 0.615,478 18.917,479 0.788,480 25.9,481 0.589,482 23.46,483 0.977,484 5.95,485 0.248,486 5.68,487 0.237,488 0.133,490 0.336,493 0.677,494 1.183,495 0.791,496 1.052,497 0.633,498 0.962,499 0.536,500 1.405,501 0.816,502 1.18,503 0.54,504 1.069,505 0.992,506 1.106,507 0.846,508 0.933,509 0.96,510 0.867,511 1.259,512 0.957,513 0.936,514 0.818,515 1.101,516 0.801,517 1.364,518 0.912,519 1.003,520 0.886,521 1.42,522 0.873,523 1.481,524 1.031,525 1.243,526 1.099,527 1.65,528 1.128,529 1.188,530 0.93,531 1.25,532 1.064,533 1.275,534 1.152,535 0.47,536 1.022,537 1.006,538 1.178,539 0.486,540 1.194,541 3.5,542 0.054,543 2.667,544 2.674,545 1.998,546 1.094,547 0.462,548 0.357,549 0.172,550 0.101,551 5335,552 14251,553 2.04,554 45.5,555 9,556 9,559 1,560 1,564 1.68,565 1.895,566 3.018,567 -0.342,569 1,571 1,573 66.311,574 1.507,575 3.118,576 3.833,577 4.516,578 4.715,579 4.76,580 2.492,581 4.137,582 4.549,583 3.163,584 873.096,585 7.913,586 9962.31,588 1,590 1,591 240.215,592 1.459,593 4.507,594 0.135,595 0.013,596 0.074,597 0.069,598 0.051,599 0.027,600 0.013,601 0.014,602 0.01,603 0.01,604 0.415,605 0.17,606 1,607 1.195,608 111.071,609 0.008,610 -0.018,611 0.037,612 0.004,613 -0.055,614 0.014,615 0.155,616 -0.289,617 0.06,618 -0.17,619 0.033,620 -0.098,621 0.039,622 -0.062,623 0.136,624 0.012,625 -0.011,626 0.077,627 -0.058,628 0.099,629 0.068,630 0.108,631 0.07,632 0.119,633 -0.141,634 0.132,635 -0.024,636 0.08,637 -0.076,638 0.059,639 -0.204,640 -0.023,641 -0.272,642 -0.113,643 -0.176,644 -0.189,645 -0.106,646 0.024,647 -0.267,648 -0.082,649 -0.092,650 -0.18,651 0.15,652 -0.135,653 -0.056,654 -0.156,655 0.129,656 -0.146,657 1.987,658 5.892,659 0.708,660 19.569,661 1.003,662 1.122,663 3.18,664 10.11,665 0.664,666 3.296,667 3.611,668 3.932,669 4.248,670 4.5,671 4.564,672 4.673,673 4.745,674 4.691,675 4.489,676 5.116,677 0.635,678 324.41,679 3.296,680 4.828,681 5.694,682 6.589,683 7.487,684 8.399,685 9.312,686 10.232,687 11.152,688 12.076,689 4.5,696 2,707 9,712 3,714 12,729 1,733 44,735 14,736 2,737 26,739 46,740 19,741 12,742 3,743 9,747 3,748 3,753 1,758 1,760 3,762 14,763 5,764 1,766 2,771 2,775 2,778 1,779 1,782 20,783 5,784 1,785 5,791 2,795 1,796 1,797 3,815 1,816 2,845 3,850 1,854 24,861 1,862 3,867 1,868 2,878 6.8,880 1,881 2,885 12.667,886 8.017,887 5.444,888 2.873,890 1.884,891 1.273,892 0.942,893 4.861,894 8.776,895 3.555,896 4.078,897 4.595,898 5.124,899 5.621,900 5.701,901 6.043,902 6.371,903 6.545,904 6.598,905 0.833,906 39,907 8.953,909 3.885,910 7.924,911 16.838,913 13.838,915 2.424,916 58.167,919 1,920 223.651,921 116.638,922 6.004,924 92.973,927 116.638,928 316.624,929 6.004,930 8.825,931 13.607,932 85.286,933 102.382,934 5.513,936 223.651,938 223.651,939 122.641,940 92.973,943 223.651,944 92.973,947 22.432,948 100.209,951 223.651,952 98.977,953 116.638,956 223.651,957 22.526,958 100.115,960 92.973,961 223.651,962 98.977,963 116.638,965 0.57,966 0.343,967 0.198,968 0.121,969 17,970 8,971 0.109,972 5,974 1,975 3.457,976 200.718,978 17,979 102.039,985 16.53,986 7.058,987 3.181,989 98.977,990 15.443,995 1.336,997 42.683,998 439.266,999 34,1004 25.779,1008 -0.421,1011 44.138,1012 49.362,1013 0.276,1014 0.571,1015 0.702,1016 0.827,1017 0.864,1018 0.872,1019 4.787,1020 1.117,1021 5.68,1022 2.953,1023 4.29,1024 4.762,1025 2.641,1026 6.544,1027 4.256,1028 5.967,1029 1,1030 7.269,1031 2.564,1032 3.892,1033 4.425,1034 2.179,1035 7.591,1036 3.813,1037 7.261,1038 1,1039 8.97,1040 2.275,1041 5.911,1042 6.822,1043 3.76,1044 10.783,1045 5.825,1046 8.591,1047 0.471,1048 10.739,1049 2.136,1050 6.399,1051 7.272,1052 3.84,1053 12.735,1054 6.266,1055 9.958,1056 -0.021,1057 12.553,1058 0.878,1059 7.886,1060 9.155,1061 5.063,1062 15.468,1063 7.741,1064 11.35,1065 -0.252,1066 14.4,1067 -0.05,1068 8.783,1069 9.974,1070 5.416,1071 17.778,1072 8.598,1073 12.763,1074 -0.501,1075 16.27,1076 -0.448,1077 10.079,1078 11.626,1079 6.456,1080 20.37,1081 9.875,1082 3.401,1083 -0.927,1084 18.159,1085 -1.195,1086 11.161,1087 12.644,1088 6.969,1089 22.819,1090 10.922,1091 2.621,1092 12.579,1093 20.062,1094 -2.181,1095 12.394,1096 14.172,1097 7.904,1098 25.367,1099 12.132,1100 2.538,1101 8.384,1102 21.977,1103 3.888,1104 13.555,1105 15.308,1106 8.515,1107 27.868,1108 13.262,1109 2.21,1110 8.349,1111 23.901,1112 3.565,1113 14.773,1114 16.764,1115 9.386,1116 30.404,1117 14.453,1118 1.827,1119 6.117,1120 25.834,1121 3.287,1122 15.968,1123 17.974,1124 10.059,1125 32.924,1126 15.619,1127 1.607,1128 5.064,1129 27.773,1130 2.762,1131 17.184,1132 19.385,1133 10.891,1134 35.457,1135 16.808,1136 1.436,1137 4.424,1138 29.717,1139 2.398,1140 18.394,1141 20.644,1142 11.602,1143 37.984,1144 17.989,1145 5346,1146 8865,1147 17.107,1148 29.228,1149 39.064,1150 40.446,1151 40.923,1152 38.536,1153 38.457,1154 48.967,1155 8.425,1156 111.446,1157 37.918,1158 5.49,1159 6.137,1160 7.043,1161 5.391,1162 5.401,1163 6.888,1164 3.858,1165 20.172,1166 5.31,1167 12.05,1168 1.502,1169 1.556,1170 1.574,1171 1.482,1172 1.479,1173 1.883,1174 0.324,1175 4.286,1176 1.458,1177 4.022,1178 4.057,1179 3.98,1180 3.896,1181 7.444,1182 3.908,1183 3.851,1184 3.878,1185 3.785,1186 3.786,1187 7.409,1188 3.782,1189 3.761,1190 3.802,1191 3.67,1192 3.647,1193 6.471,1194 3.644,1195 3.552,1196 3.61,1197 3.395,1198 3.372,1199 4.767,1200 3.373,1201 3.114,1202 3.203,1203 2.966,1204 2.905,1205 4.614,1206 2.903,1207 2.979,1208 2.985,1209 2.923,1210 2.754,1211 4.168,1212 2.783,1213 2.86,1214 2.925,1215 2.713,1216 2.735,1217 3.954,1218 2.715,1219 2.854,1220 2.925,1221 2.687,1222 2.735,1223 3.674,1224 2.715,1225 0.175,1226 0.159,1227 0.276,1228 0.168,1229 0.131,1230 4.56,1231 0.15,1232 4.137,1233 0.083,1234 7.184,1235 0.484,1236 4.375,1237 0.127,1238 3.401,1239 3.888,1240 2.166,1241 12.579,1242 3.31,1243 1.904,1244 1.874,1245 2.014,1246 2.02,1247 1.326,1248 2.016,1249 1.859,1250 1.834,1251 2.001,1252 1.96,1253 1.088,1254 1.971,1255 1.751,1256 1.701,1257 1.963,1258 1.902,1259 1.041,1260 1.929,1261 1.451,1262 1.4,1263 1.698,1264 1.656,1265 0.927,1266 1.668,1267 1.179,1268 1.138,1269 1.308,1270 1.487,1271 0.469,1272 1.418,1273 0.988,1274 0.911,1275 1.257,1276 1.263,1277 0.332,1278 1.283,1279 0.886,1280 0.821,1281 1.181,1282 1.062,1283 0.218,1284 1.107,1285 0.886,1286 0.821,1287 1.181,1288 1.062,1289 0.218,1290 1.107,1291 3.97,1293 5.283,1294 2.398,1295 6.808,1296 4.949,1297 8.431,1298 7.209,1299 10.111,1301 2.038,1306 9.484,1307 2.307,1312 -0.654,1313 2.854,1318 27.928,1319 66.311,1320 137.182,1321 168.666,1322 198.705,1323 207.46,1324 209.46,1325 54.443,1326 6.892,1327 60.85,1328 60.85,1329 17,1330 12.583,1331 3.907,1332 3.17,1333 38.766,1334 70,1335 87,1336 0.273,1337 173.003,1338 305.63,1339 413.887,1340 7225,1342 17.104,1343 0.713,1344 0.565,1345 17.104,1346 13.553,1347 11.63,1348 0.447,1349 0.314,1350 8.065,1351 11.262,1352 7.894,1353 6.593,1354 11.63,1355 8.151,1356 10.097,1357 0.28,1358 0.162,1359 10.097,1360 5.847,1361 8.699,1362 0.174,1363 0.083,1364 8.699,1365 4.155,1366 7.393,1367 0.107,1368 0.042,1369 7.393,1370 2.902,1371 6.166,1372 0.069,1373 0.023,1374 6.166,1375 2.043,1376 0.406,1377 72.513,1378 0.242,1379 22.807,1380 0.826,1381 124,1382 368.911,1383 136.694,1384 355.404,1385 482.57,1386 330,1387 148,1388 358.582,1389 162.222,1390 358.017,1391 529.29,1392 339,1393 4.361}
{0 CHEMBL126602,1 1.438,2 7.842,3 2.617,4 6.848,5 73.39,6 8.309,7 0.571,8 3.511,9 3.601,10 3.175,11 3.187,12 4.739,13 3.169,14 3.965,15 4.071,16 3.523,17 3.552,18 5.224,19 3.519,20 4.2,21 4.362,22 3.53,23 3.597,24 5.445,25 3.548,26 4.149,27 4.324,28 3.382,29 3.44,30 5.442,31 3.393,32 4.017,33 4.184,34 3.315,35 3.241,36 5.571,37 3.225,38 3.795,39 3.95,40 3.111,41 3.135,42 5.153,43 3.107,44 3.745,45 3.9,46 3.012,47 3.098,48 5.058,49 3.052,50 3.66,51 3.867,52 2.614,53 2.938,54 4.768,55 2.817,56 0.02,57 0.357,58 4.462,59 2.479,60 4.555,61 2.871,62 0.067,63 0.567,64 7.543,65 4.091,66 9.715,67 4.876,68 0.104,69 0.728,70 12.135,71 5.578,72 25.603,73 6.661,74 0.145,75 0.702,76 12.303,77 5.215,78 30.964,79 5.999,80 0.301,81 0.592,82 11.537,83 4.563,84 62.708,85 5.101,86 0.138,87 0.469,88 8.636,89 3.645,90 32.111,91 3.927,92 0.124,93 0.464,94 7.798,95 3.305,96 25.653,97 3.56,98 0.108,99 0.437,100 7.883,101 3.328,102 21.167,103 4.044,104 5,105 29,106 0.268,107 0.507,108 0.637,109 0.772,110 0.849,111 0.866,112 3.011,113 0.853,114 -4.12,115 -4.07,116 -3.85,119 53.3,134 1,135 1,141 9,142 2,143 1,155 1,156 1,171 12,174 3,177 1,179 3,182 13,186 5,191 3,194 11,199 5,204 1,207 8,212 1,213 5,216 1,218 1,221 7,226 4,231 2,234 7,239 3,244 2,247 8,251 1,256 1,259 7,271 4,274 405,275 12.983,276 12.983,277 12.983,278 12.983,279 12.983,280 11.152,281 8.811,282 7.78,283 12.981,284 10.377,285 10.377,286 10.377,287 10.377,288 10.377,289 7.567,290 11.109,291 3.7,292 10.351,293 3.468,294 2.192,295 1.496,296 0.771,297 0.358,298 0.267,299 3.69,304 1,305 1,306 1,307 324,308 2.55,311 37.571,312 104.621,315 71.347,319 1.042,320 20.422,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 40.5,332 149,333 4.53,334 3.673,335 6.729,336 4.183,337 3.188,338 4.115,339 1.058,340 10.957,341 3.172,342 4.133,343 3.461,344 6.02,345 3.779,346 2.76,347 3.677,349 8.562,350 2.809,351 3.637,352 2.751,353 5.458,354 3.177,355 2.166,356 3.04,358 6.663,359 2.182,360 3.286,361 2.183,362 4.769,363 2.83,364 1.815,365 2.528,367 5.012,368 1.837,369 3.032,370 1.931,371 4.272,372 2.634,373 1.643,374 2.169,376 4.041,377 1.621,378 2.839,379 1.506,380 3.62,381 2.359,382 1.354,383 1.97,385 2.936,386 1.358,387 2.631,388 1.323,389 3.577,390 2.13,391 1.116,392 1.634,394 2.672,395 1.129,396 2.5,397 1.035,398 3.326,399 2,400 1,401 1.5,403 2.136,404 1,405 2.315,406 1,407 3.247,408 1.714,409 0.695,410 1.033,412 1.731,413 0.703,414 1.324,415 0.527,416 2.657,417 0.88,418 -0.143,419 -0.203,421 -0.353,422 -0.145,423 0.82,424 0.075,425 2.317,426 0.372,427 -0.665,428 -0.889,430 -1.577,431 -0.678,432 0.743,433 -0.544,434 2,435 0.279,436 -0.762,437 -1.12,439 -1.708,440 -0.786,441 0.513,442 -0.803,443 1.935,444 0.041,445 -1,446 -1.311,448 -2.347,449 -0.996,450 0.5,451 -0.888,452 1.613,454 -1,455 -1.5,457 -2.41,458 -1,459 0.365,460 -1,461 1.555,462 -0.002,463 -1,464 -1.51,466 -2.632,467 -1.053,468 9.067,469 0.477,470 0.418,471 0.022,472 28.5,473 1.5,474 17,475 0.895,476 11.5,477 0.605,478 9.97,479 0.525,480 18.533,481 0.618,482 18.937,483 0.997,484 5.894,485 0.31,486 3.36,487 0.177,488 0.074,490 0.331,493 0.569,494 0.905,495 0.673,496 0.81,497 0.523,498 0.762,499 0.516,500 1.096,501 0.811,502 1.041,503 0.565,504 0.992,505 0.934,506 1.083,507 0.932,508 1.055,509 0.924,510 1.006,511 1.269,512 1.076,513 1.076,514 1.081,515 1.237,516 1.047,517 1.41,518 0.877,519 0.942,520 0.894,521 1.526,522 0.853,523 1.588,524 0.941,525 1.043,526 0.888,527 1.623,528 0.883,529 1.466,530 1.047,531 1.224,532 1.012,533 1.38,534 1.059,535 1.02,536 1.055,537 1.33,538 1.123,539 0.953,540 1.245,541 3,543 2.222,544 1.576,545 0.728,546 0.681,547 0.276,548 0.12,549 0.057,550 0.023,551 3250,552 9275,553 2.113,554 36.7,556 10,559 1,564 1.604,565 2,566 2.979,567 -0.353,569 1,571 1,573 43.153,574 1.438,575 2.715,576 3.41,577 4.136,578 4.548,579 4.64,580 2.379,581 4.037,582 4.223,583 3.065,584 524.168,585 7.197,586 5081.37,587 1,588 1,590 1,591 147.207,592 1.324,593 4.189,594 0.143,596 0.077,597 0.056,598 0.032,599 0.032,600 0.015,601 0.007,602 0.006,603 0.006,604 0.374,605 1,606 1,607 0.565,608 81.529,609 -0.038,610 0.06,611 0.02,612 0.062,613 -0.06,614 0.056,615 0.107,616 -0.147,617 -0.062,618 -0.151,619 0.013,620 -0.144,621 -0.043,622 -0.131,623 -0.008,624 -0.103,625 -0.031,626 -0.06,627 -0.121,628 -0.093,629 -0.084,630 -0.124,631 -0.085,632 -0.098,633 0.193,634 0.095,635 0.129,636 0.085,637 0.161,638 0.093,639 -0.223,640 0.009,641 -0.054,642 0.077,643 -0.18,644 0.044,645 -0.258,646 -0.047,647 -0.279,648 -0.079,649 -0.181,650 -0.161,651 -0.173,652 -0.072,653 -0.324,654 -0.141,655 -0.142,656 -0.233,657 1.898,658 5.1,659 0.789,660 11.385,661 1.006,662 1.1,663 2.892,664 8.366,665 0.724,666 3.091,667 3.401,668 3.689,669 3.951,670 4.127,671 4.06,672 4.143,673 4.174,674 4.043,675 4.007,676 4.7,677 0.703,678 249.28,679 3.091,680 4.615,681 5.468,682 6.344,683 7.217,684 8.1,685 8.982,686 9.868,687 10.753,688 11.642,689 3.3,696 1,707 9,712 3,714 12,719 1,733 30,735 15,736 2,737 21,739 32,740 16,741 12,742 3,743 9,744 4,747 3,748 4,762 16,766 3,771 2,773 1,775 3,779 1,782 11,783 3,784 1,785 3,791 1,796 0.667,797 2,815 1,816 2,819 1,829 1,835 1,836 1,845 2,854 19,864 1,878 6.7,881 2,885 9.5,886 5.417,887 4.194,888 1.736,890 2.855,891 1.437,892 1.024,893 2.825,894 9.382,895 3.434,896 4.007,897 4.6,898 5.139,899 5.655,900 5.742,901 6.106,902 6.397,903 6.59,904 6.856,905 1,906 28,907 7.021,909 3.052,910 7.947,911 13.107,913 10.752,915 2.447,916 46.5,917 0.001,920 117.711,921 116.914,922 18.011,924 50.29,927 116.914,928 168.001,929 18.011,931 18.011,932 94.762,933 60.128,934 12.313,936 117.711,938 117.711,939 134.925,940 50.29,943 117.711,944 50.29,947 18.011,948 107.438,949 9.476,951 117.711,952 68.301,953 116.914,956 117.711,957 22.152,958 94.762,959 18.011,960 50.29,961 117.711,962 68.301,963 116.914,965 0.577,966 0.345,967 0.192,968 0.104,969 15,970 6,971 0.063,972 2,973 1,974 1.133,975 3.175,976 140.91,977 0.133,978 15,979 76.711,985 11.576,986 4.637,987 2.118,989 68.301,990 16.264,995 2.101,997 18.011,998 302.926,999 30,1004 23.966,1006 1.399,1008 0.025,1011 30.174,1012 32.993,1013 0.293,1014 0.553,1015 0.695,1016 0.843,1017 0.927,1018 0.946,1019 4.644,1020 1,1021 5.442,1022 2.672,1023 4.078,1024 4.691,1025 1.176,1026 6.256,1027 4.084,1028 5.851,1029 0.695,1030 7,1031 2.136,1032 3.611,1033 4.35,1035 7.168,1036 3.64,1037 7.151,1038 -0.143,1039 8.665,1040 1.731,1041 5.659,1042 6.844,1043 1.255,1044 10.302,1045 5.668,1046 8.491,1047 -0.665,1048 10.395,1049 -0.353,1050 6.066,1051 7.339,1053 12.097,1054 6.091,1055 9.865,1056 -0.762,1057 12.167,1058 -1.577,1059 7.569,1060 9.278,1061 1.338,1062 14.73,1063 7.579,1064 11.265,1065 -1,1066 13.967,1067 -1.708,1068 8.382,1069 10.188,1071 16.877,1072 8.399,1073 12.685,1074 -1,1075 15.787,1076 -2.347,1077 9.663,1078 11.866,1079 1.422,1080 19.344,1081 9.669,1082 3.188,1083 -1,1084 17.623,1085 -2.41,1086 10.661,1087 12.997,1089 21.633,1090 10.668,1091 2.76,1092 10.957,1093 19.47,1094 -2.632,1095 11.854,1096 14.541,1097 1.51,1098 24.045,1099 11.853,1100 2.166,1101 8.562,1102 21.326,1103 4.115,1104 12.935,1105 15.793,1107 26.392,1108 12.93,1109 1.815,1110 6.663,1111 23.189,1112 3.677,1113 14.095,1114 17.269,1115 1.599,1116 28.787,1117 14.083,1118 1.643,1119 5.012,1120 25.058,1121 3.04,1122 15.213,1123 18.587,1125 31.16,1126 15.195,1127 1.354,1128 4.041,1129 26.932,1130 2.528,1131 16.364,1132 20.028,1133 1.69,1134 33.551,1135 16.339,1136 1.116,1137 2.936,1138 28.81,1139 2.169,1140 17.499,1141 21.384,1143 35.934,1144 17.467,1145 3152,1146 5412,1147 14.216,1148 21.722,1149 32.094,1150 33.447,1151 32.323,1152 31.444,1153 31.474,1154 43.333,1155 2.117,1156 89.419,1157 31.623,1158 5.343,1159 5.673,1160 6.531,1161 5.183,1162 5.188,1163 7.115,1164 2.117,1165 17.883,1166 5.172,1167 6.974,1168 1.528,1169 1.593,1170 1.539,1171 1.497,1172 1.499,1173 2.063,1174 0.101,1175 4.258,1176 1.506,1177 4.031,1178 4.053,1179 3.993,1180 3.958,1181 7.435,1182 3.963,1183 3.889,1184 3.915,1185 3.827,1186 3.828,1187 7.423,1188 3.824,1189 3.507,1190 3.53,1191 3.44,1192 3.4,1193 4.781,1194 3.405,1195 3.223,1196 3.247,1197 3.168,1198 3.007,1199 4.718,1200 3.039,1201 2.894,1202 2.95,1203 2.775,1204 2.77,1205 4.097,1206 2.763,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.826,1212 2.715,1213 2.643,1214 2.712,1215 2.546,1216 2.497,1217 3.674,1218 2.485,1219 2.599,1220 2.613,1221 2.477,1222 2.403,1223 3.584,1224 2.438,1225 0.216,1226 0.175,1227 0.32,1228 0.199,1229 0.152,1230 4.53,1231 0.196,1232 3.673,1233 0.05,1234 6.729,1235 0.522,1236 4.183,1237 0.151,1238 3.188,1239 4.115,1240 1.058,1241 10.957,1242 3.172,1243 1.931,1244 1.912,1245 2.033,1246 2.007,1247 1.124,1248 2.015,1249 1.869,1250 1.843,1251 1.981,1252 1.946,1253 1.064,1254 1.959,1255 1.533,1256 1.513,1257 1.631,1258 1.702,1259 0.685,1260 1.675,1261 1.103,1262 1.075,1263 1.258,1264 1.368,1265 0.263,1266 1.333,1267 0.911,1268 0.867,1269 1.181,1270 1.072,1271 0.218,1272 1.107,1273 0.886,1274 0.821,1275 1.103,1276 1.062,1277 0.2,1278 1.081,1279 0.78,1280 0.724,1281 1.059,1282 0.977,1283 0.089,1284 1.01,1285 0.536,1286 0.492,1287 0.801,1288 0.775,1290 0.787,1291 3.761,1293 5.069,1294 2.398,1295 6.581,1296 4.844,1297 8.179,1298 7.018,1299 9.823,1309 2.745,1318 21.085,1319 43.153,1320 81.458,1321 102.313,1322 124.087,1323 136.452,1324 139.207,1325 30.255,1326 6.526,1327 49.93,1328 49.93,1329 17,1330 12.173,1331 4,1332 3.322,1333 27.76,1334 53,1335 50,1336 0.262,1337 130.508,1338 231.3,1339 310.199,1340 5176,1342 13.242,1343 0.697,1344 0.531,1345 13.242,1346 10.09,1347 9.254,1348 0.441,1349 0.284,1350 5.929,1351 9.058,1352 5.807,1353 4.822,1354 9.254,1355 5.974,1356 8.196,1357 0.283,1358 0.148,1359 8.196,1360 4.288,1361 7.022,1362 0.18,1363 0.078,1364 7.022,1365 3.044,1366 5.899,1367 0.116,1368 0.041,1369 5.899,1370 2.099,1371 4.763,1372 0.078,1373 0.022,1374 4.763,1375 1.357,1376 0.397,1377 57.087,1378 0.265,1379 18.817,1380 0.753,1381 100,1382 299.804,1383 106.372,1384 294.696,1385 399.24,1386 274,1387 118,1388 288.526,1389 124.152,1390 295.253,1391 431.36,1392 279,1393 4.303}
{0 CHEMBL1299716,1 1.601,2 10.619,3 3.397,4 11.541,5 81.535,6 7.234,7 0.5,8 3.775,9 3.899,10 3.305,11 3.252,12 4.923,13 3.231,14 4.297,15 4.476,16 3.6,17 3.599,18 5.492,19 3.557,20 4.483,21 4.699,22 3.568,23 3.667,24 5.518,25 3.599,26 4.562,27 4.794,28 3.368,29 3.636,30 5.587,31 3.523,32 4.494,33 4.769,34 3.146,35 3.523,36 5.358,37 3.359,38 4.379,39 4.674,40 3.088,41 3.382,42 5.258,43 3.212,44 4.207,45 4.487,46 3.018,47 3.225,48 5.074,49 3.092,50 4.111,51 4.377,52 2.923,53 3.098,54 5.072,55 3.012,56 0.151,57 0.575,58 8.611,59 3.674,60 8.72,61 4.914,62 0.243,63 0.856,64 15.861,65 5.827,66 44.494,67 8.197,68 0.278,69 0.957,70 20.004,71 6.535,72 30.134,73 9.455,74 0.397,75 0.957,76 22.423,77 6.844,78 49.186,79 9.962,80 0.373,81 0.842,82 21.628,83 7.033,84 45.609,85 10.447,86 0.412,87 0.746,88 19.468,89 6.196,90 45.305,91 9.621,92 0.284,93 0.635,94 16.131,95 4.983,96 27.796,97 7.651,98 0.371,99 0.539,100 15.392,101 4.225,102 42.719,103 6.122,104 18,105 29,106 0.286,107 0.614,108 0.765,109 0.828,110 0.828,111 0.828,112 3.1,113 0.948,114 -3.93,115 -3.89,116 -3.69,119 37.5,120 2,121 3,125 1,141 4,142 1,143 2,145 1,150 1,164 2,167 1,171 5,173 1,174 7,179 2,182 6,186 11,191 2,194 5,199 6,204 1,207 5,212 1,213 2,218 1,221 6,225 2,234 4,238 1,239 3,242 1,247 4,251 3,259 2,264 5,269 2,271 4,274 560,275 13.897,276 13.897,277 13.897,278 13.897,279 13.897,280 12.142,281 15.698,282 8.336,283 14.178,284 10.812,285 10.812,286 10.812,287 10.812,288 10.812,289 8.275,290 13.772,291 3.924,292 11.226,293 3.721,294 1.883,295 1.038,296 0.688,297 0.688,298 0.688,299 3.76,304 1,305 1,306 1,307 460,308 3.24,311 69.631,312 78.218,319 1.828,320 21.678,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 46.5,332 223,333 4.361,334 3.778,335 6.409,336 3.974,337 2.994,338 4.038,339 2.612,340 9.701,341 2.933,342 4.255,343 3.206,344 5.929,345 3.751,346 2.784,347 3.951,348 0.86,349 8.227,350 2.69,351 3.773,352 2.872,353 5.298,354 3.306,355 2.373,356 3.235,358 6.789,359 2.208,360 3.055,361 2.078,362 4.732,363 2.714,364 1.732,365 2.224,367 4.726,368 1.697,369 2.976,370 2.041,371 4.097,372 2.693,373 1.732,374 2.085,376 3.8,377 1.662,378 2.812,379 1.831,380 3.822,381 2.32,382 1.356,383 1.863,385 3.149,386 1.301,387 2.509,388 1.535,389 3.619,390 2.171,391 1.188,392 1.507,394 2.794,395 1.165,396 2.5,397 1,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 1.906,406 1,407 3.107,408 1.673,409 0.721,410 0.833,412 1.603,413 0.681,414 1.297,415 0.938,416 2.572,417 1.104,418 0.14,419 0.156,421 0.31,422 0.134,423 1,424 0.509,425 2,426 0.702,427 -0.271,428 -0.307,430 -0.6,431 -0.262,432 0.948,433 0.088,434 2,435 0.306,436 -0.658,437 -0.779,439 -1.443,440 -0.629,441 0.552,442 -0.351,443 2,445 -1,446 -1.204,448 -2,449 -0.947,450 0.5,451 -0.674,452 1.778,454 -1,455 -1.338,457 -2.414,458 -1,459 0.26,460 -0.853,461 1.553,462 -0.05,463 -1,464 -1.5,466 -2.787,467 -1,468 9.7,469 0.462,470 0.511,471 0.024,472 26.25,473 1.25,474 13.5,475 0.643,476 12.75,477 0.607,478 16.035,479 0.764,480 23.9,481 0.598,482 16.482,483 0.785,484 5.171,485 0.246,486 4.904,487 0.234,488 0.172,490 0.299,493 0.472,494 1.169,495 0.789,496 1.15,497 0.498,498 1.056,499 0.708,500 1.277,501 0.805,502 1.14,503 0.389,504 1.017,505 0.983,506 1.123,507 1,508 1.097,509 0.556,510 1.05,511 1.194,512 1.053,513 1.272,514 1.155,515 0.985,516 1.211,517 0.758,518 0.903,519 0.983,520 1.021,521 0.787,522 1.052,523 0.307,524 0.887,525 0.744,526 0.952,527 0.225,528 0.936,529 0.558,530 0.875,531 0.828,532 0.992,533 0.395,534 0.963,535 1.478,536 0.561,537 0.928,538 0.5,539 1.199,540 0.602,541 4,542 0.065,543 2.667,544 1.417,545 0.627,546 0.462,547 0.198,548 0.147,549 0.199,550 0.125,551 4925,552 15157,553 1.968,554 47.5,555 4,556 6,559 1,560 6,561 2,564 1.62,565 1.826,566 3.336,567 -0.244,568 1,569 1,571 1,573 64.053,574 1.601,575 3.439,576 4.284,577 4.634,578 4.634,579 4.634,580 2.689,581 3.63,582 4.368,583 3.585,584 752.867,585 7.421,586 8778.69,587 1,588 1,589 1,590 1,591 212.877,592 1.461,593 4.311,594 0.182,595 0.005,596 0.092,597 0.052,598 0.031,599 0.029,600 0.013,601 0.01,602 0.014,603 0.008,604 0.437,605 0.5,606 1,607 0.874,608 98.867,609 0.236,610 0.124,611 0.059,612 0.01,613 0.028,614 -0.012,615 0.107,616 -0.176,617 0.102,618 -0.051,619 0.252,620 0.013,621 -0.112,622 -0.077,623 -0.06,624 -0.082,625 0.035,626 -0.058,627 -0.216,628 -0.063,629 -0.306,630 -0.183,631 -0.1,632 -0.245,633 0.012,634 -0.021,635 -0.022,636 -0.035,637 -0.05,638 -0.038,639 0.335,640 -0.025,641 0.214,642 0.021,643 0.223,644 0.088,645 0.178,646 0.035,647 0.138,648 -0.037,649 0.09,650 0.035,651 -0.235,652 0.262,653 0.12,654 0.423,655 -0.152,656 0.352,657 2.417,658 3.536,659 0.524,660 17.937,661 1.009,662 1.136,663 2.703,664 7.306,665 0.637,666 3.135,667 3.401,668 3.584,669 3.689,670 3.689,671 3.584,672 3.497,673 3.367,674 3.434,675 3.434,676 6.652,677 0.611,678 289.37,679 3.135,680 4.635,681 5.442,682 6.275,683 7.098,684 7.932,685 8.759,686 9.595,687 10.424,688 11.26,689 7.5,697 1,699 1,700 1,707 4,708 1,709 1,712 5,714 11,726 1,730 1,733 40,735 13,736 1,737 22,739 41,740 15,741 9,742 2,743 4,747 2,748 2,753 2,760 3,762 9,763 6,766 2,768 1,771 2,778 1,779 1,782 19,783 4,784 1,785 6,791 3,796 1,797 3,807 1,815 1,816 1,845 2,850 2,854 21,862 4,865 1,878 7.5,883 1,884 2,885 11.5,886 7.733,887 4.75,888 2.46,890 2.037,891 1.327,892 0.93,893 5.341,894 8.27,895 3.418,896 3.984,897 4.45,898 4.88,899 5.123,900 5.127,901 5.151,902 4.743,903 4.866,904 5.041,905 0.857,906 27,907 7.718,909 3.13,910 7.944,911 14.589,913 11.354,915 2.444,916 51.333,920 211.88,921 84.451,922 38.996,924 61.747,927 84.451,928 273.627,929 38.996,930 23.32,931 12.196,932 37.905,933 16.663,934 41.605,935 2.757,936 211.88,937 50.747,938 211.88,939 123.447,940 61.747,943 188.338,944 34.542,945 50.747,947 49.266,948 51.847,949 22.333,951 211.88,952 100.743,953 84.451,956 211.88,957 28.895,958 61.225,959 16.663,960 78.41,961 211.88,962 100.743,963 84.451,965 0.574,966 0.328,967 0.157,968 0.073,969 12,970 6,971 0.171,972 7,974 1,975 3.458,976 140.859,978 11,979 86.239,985 15.517,986 7.228,987 4.298,989 78.41,990 6.159,991 4.174,992 2.982,995 4.211,997 16.663,998 397.073,999 29.5,1001 -0.417,1004 21.072,1011 40.356,1012 45.445,1013 0.301,1014 0.646,1015 0.805,1016 0.871,1017 0.871,1018 0.871,1019 4.613,1020 1,1021 5.407,1022 2.794,1023 4.078,1024 4.668,1025 2.616,1026 6.142,1027 4.009,1028 5.809,1029 0.721,1030 6.932,1031 2.275,1032 3.611,1033 4.527,1034 2.361,1035 6.957,1036 3.509,1037 7.106,1038 0.14,1039 8.561,1040 1.603,1041 5.602,1042 6.845,1043 4.172,1044 9.977,1045 5.468,1046 8.442,1047 -0.271,1048 10.25,1049 0.31,1050 5.969,1051 7.541,1052 4.506,1053 11.645,1054 5.806,1055 9.812,1056 -0.658,1057 11.978,1058 -0.6,1059 7.422,1060 9.327,1061 5.95,1062 14.16,1063 7.236,1064 11.203,1065 -1,1066 13.733,1067 -1.443,1068 8.169,1069 10.384,1070 6.556,1071 16.166,1072 7.958,1073 12.612,1074 -1,1075 15.508,1076 -2,1077 9.401,1078 11.954,1079 7.795,1080 18.509,1081 9.17,1082 2.994,1083 -1,1084 17.296,1085 -2.414,1086 10.323,1087 13.177,1088 8.548,1089 20.657,1090 10.071,1091 2.784,1092 9.701,1093 19.096,1094 -2.787,1095 11.463,1096 14.651,1097 9.67,1098 22.941,1099 11.191,1100 2.373,1101 8.227,1102 20.904,1103 4.038,1104 12.466,1105 15.953,1106 10.509,1107 25.151,1108 12.174,1109 1.732,1110 6.789,1111 22.718,1112 3.951,1113 13.567,1114 17.382,1115 11.563,1116 27.416,1117 13.256,1118 1.732,1119 4.726,1120 24.538,1121 3.235,1122 14.61,1123 18.723,1124 12.452,1125 29.654,1126 14.279,1127 1.356,1128 3.8,1129 26.361,1130 2.224,1131 15.696,1132 20.131,1133 13.468,1134 31.915,1135 15.346,1136 1.188,1137 3.149,1138 28.189,1139 2.085,1140 16.757,1141 21.493,1142 14.386,1143 34.167,1144 16.388,1145 4948,1146 8863,1147 14.216,1148 25.472,1149 32.157,1150 33.418,1151 33.403,1152 32.051,1153 32.04,1154 42.785,1155 6.945,1156 86.746,1157 30.942,1158 5.281,1159 5.778,1160 6.174,1161 5.025,1162 4.994,1163 7.038,1164 4.612,1165 16.013,1166 4.933,1167 11.816,1168 1.462,1169 1.519,1170 1.518,1171 1.457,1172 1.456,1173 1.945,1174 0.316,1175 3.943,1176 1.406,1177 4.001,1178 4.046,1179 3.954,1180 3.861,1181 7.815,1182 3.873,1183 3.958,1184 3.994,1185 3.911,1186 3.816,1187 6.999,1188 3.828,1189 3.628,1190 3.685,1191 3.528,1192 3.44,1193 4.979,1194 3.435,1195 3.463,1196 3.489,1197 3.373,1198 3.052,1199 4.827,1200 3.144,1201 3.197,1202 3.296,1203 2.963,1204 3.012,1205 4.302,1206 2.986,1207 3.099,1208 3.177,1209 2.913,1210 2.847,1211 3.927,1212 2.851,1213 2.854,1214 2.984,1215 2.687,1216 2.735,1217 3.897,1218 2.715,1219 2.841,1220 2.925,1221 2.551,1222 2.501,1223 3.674,1224 2.495,1225 0.198,1226 0.172,1227 0.291,1228 0.181,1229 0.136,1230 4.361,1231 0.184,1232 3.778,1233 0.119,1234 6.409,1235 0.441,1236 3.974,1237 0.133,1238 2.994,1239 4.038,1240 2.612,1241 9.701,1242 2.933,1243 1.903,1244 1.881,1245 2.013,1246 2.08,1247 1.317,1248 2.041,1249 1.778,1250 1.734,1251 1.967,1252 1.917,1253 1.066,1254 1.937,1255 1.527,1256 1.469,1257 1.773,1258 1.763,1259 0.977,1260 1.751,1261 1.438,1262 1.35,1263 1.694,1264 1.715,1265 0.731,1266 1.705,1267 1.2,1268 1.172,1269 1.467,1270 1.615,1271 0.667,1272 1.54,1273 1.053,1274 0.971,1275 1.219,1276 1.34,1277 0.254,1278 1.372,1279 0.886,1280 0.821,1281 1.181,1282 1.189,1283 0.218,1284 1.203,1285 0.779,1286 0.634,1287 1.127,1288 1.062,1289 0.114,1290 1.107,1291 3.807,1293 5.081,1294 2.398,1295 6.532,1296 4.727,1297 8.061,1298 6.763,1299 9.631,1301 4.037,1307 3.542,1310 5.575,1318 24.423,1319 64.053,1320 137.574,1321 171.367,1322 185.367,1323 185.367,1324 185.367,1325 39.484,1326 6.232,1327 83.73,1328 83.73,1329 11,1330 11.829,1331 3.807,1332 3.087,1333 39.861,1334 86,1335 65,1336 0.226,1337 154.676,1338 265.07,1339 369.169,1340 3944,1342 15.242,1343 0.726,1344 0.584,1345 15.242,1346 12.257,1347 10.075,1348 0.458,1349 0.316,1350 6.846,1351 9.55,1352 6.631,1353 5.557,1354 10.075,1355 6.954,1356 8.859,1357 0.305,1358 0.171,1359 8.859,1360 4.969,1361 7.023,1362 0.201,1363 0.098,1364 7.023,1365 3.418,1366 5.217,1367 0.134,1368 0.056,1369 5.217,1370 2.2,1371 3.526,1372 0.09,1373 0.033,1374 3.526,1375 1.29,1376 0.372,1377 64.168,1378 0.265,1379 21.658,1380 0.57,1381 102,1382 352.83,1383 115.161,1384 333.537,1385 441.13,1386 308,1387 115,1388 324.271,1389 127.888,1390 319.274,1391 452.37,1392 298,1393 4.799}
{0 CHEMBL1300370,1 1.798,2 7,3 2.55,4 6.505,5 77.8,6 11.072,7 0.522,8 3.584,9 3.68,10 3.483,11 3.193,12 4.758,13 3.198,14 4.088,15 4.186,16 3.976,17 3.618,18 5.296,19 3.616,20 4.38,21 4.515,22 4.085,23 3.715,24 5.659,25 3.701,26 4.346,27 4.515,28 3.923,29 3.606,30 5.544,31 3.577,32 4.219,33 4.4,34 4.083,35 3.485,36 5.449,37 3.449,38 3.969,39 4.146,40 3.799,41 3.337,42 5.193,43 3.241,44 3.694,45 3.893,46 3.306,47 3.095,48 4.774,49 2.941,50 3.345,51 3.579,52 3.006,53 2.731,54 4.252,55 2.497,56 0.113,57 0.458,58 1.838,59 2.309,60 6.722,61 2.242,62 0.224,63 0.73,64 3.119,65 4.093,66 15.299,67 4.076,68 0.529,69 0.926,70 18.016,71 6.387,72 37.591,73 6.196,74 0.473,75 0.912,76 14.873,77 5.944,78 33.196,79 5.419,80 0.446,81 0.765,82 16.461,83 5.555,84 37.683,85 5.191,86 0.315,87 0.579,88 21.101,89 5.105,90 28.507,91 4.969,92 0.184,93 0.438,94 11.655,95 3.982,96 18.56,97 4.358,98 0.124,99 0.29,100 11.331,101 3.277,102 12.319,103 3.824,104 5,105 35,106 0.338,107 0.634,108 0.774,109 0.897,110 0.922,111 0.922,112 3.061,113 0.901,114 -3.92,115 -3.87,116 -3.67,117 1,119 46.7,131 1,141 7,142 1,143 4,156 1,168 1,171 5,174 2,177 2,179 4,182 6,185 1,186 4,189 3,190 1,191 7,194 5,199 4,202 1,203 1,204 5,207 1,213 4,218 6,221 3,226 3,231 4,234 4,239 1,244 1,247 5,259 5,271 2,274 456,275 13.618,276 13.618,277 13.618,278 13.618,279 13.618,280 12.012,281 16.692,282 7.738,283 13.981,284 11.33,285 11.33,286 11.33,287 11.33,288 11.33,289 8.887,290 20.167,291 3.641,292 12.006,293 3.109,294 1.535,295 0.788,296 0.133,299 3.759,304 1,305 1,306 1,307 314,308 2.449,311 31.854,312 118.081,315 61.708,316 65.003,319 1,320 19.718,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 43.25,332 140,333 4.823,334 4.373,335 8.01,336 4.636,337 3.684,338 4.225,339 2.443,340 15.343,341 3.502,342 4.182,343 3.143,344 6.162,345 3.777,346 2.817,347 3.797,348 1.278,349 9.088,350 2.698,351 3.866,352 2.991,353 5.934,354 3.438,355 2.497,356 3.276,357 0.294,358 8.013,359 2.34,360 3.367,361 2.748,362 5.15,363 2.955,364 2.065,365 2.625,366 0.075,367 5.938,368 1.803,369 3.103,370 2.431,371 4.927,372 2.686,373 1.697,374 2.207,376 5.024,377 1.565,378 2.929,379 1.903,380 4.506,381 2.57,382 1.618,383 2.086,385 4.441,386 1.537,387 2.879,388 1.512,389 4.161,390 2.42,391 1.438,392 2.024,394 3.175,395 1.405,396 2.507,397 1.286,398 3.617,399 2.078,400 1.088,401 1.48,403 2.814,404 1.07,405 1.905,406 0.825,407 3.475,408 1.664,409 0.694,410 0.82,412 1.65,413 0.668,414 1.479,415 0.819,416 3.228,417 1.088,418 0.176,419 0.214,421 0.439,422 0.139,423 0.962,424 0.261,425 2.844,426 0.604,427 -0.334,428 -0.402,430 -0.821,431 -0.249,432 0.704,433 0.09,434 2.59,435 0.322,436 -0.618,437 -0.729,439 -1.651,440 -0.518,441 0.689,442 -0.303,443 2.355,444 0.228,445 -0.678,446 -0.874,448 -1.667,449 -0.574,450 0.6,451 -0.581,452 2.182,453 0.152,454 -0.827,455 -1.1,457 -2.525,458 -0.808,459 0.28,460 -0.741,461 2,462 -0.104,463 -1.074,464 -1.457,466 -3.097,467 -1.045,468 10.2,469 0.51,470 0.57,471 0.028,472 28.25,473 1.413,474 15,475 0.75,476 13.25,477 0.663,478 14.629,479 0.731,480 19.8,481 0.66,482 17.571,483 0.879,484 5.377,485 0.269,486 4.311,487 0.216,488 0.163,489 0.049,490 0.294,493 0.809,494 0.905,495 0.454,496 0.623,497 0.632,498 0.638,499 0.812,500 1.222,501 0.536,502 0.84,503 0.626,504 0.853,505 1.043,506 1.149,507 0.876,508 1.006,509 0.924,510 0.989,511 1.429,512 1.07,513 0.728,514 0.867,515 1.137,516 0.978,517 1.281,518 0.96,519 0.857,520 0.91,521 1.523,522 0.862,523 0.982,524 0.899,525 1.432,526 1.225,527 1.287,528 1.108,529 0.815,530 0.837,531 1.169,532 1.049,533 1.149,534 1.184,535 0.54,536 0.802,537 1.545,538 1.202,539 0.703,540 1.286,541 5,543 3.333,544 2.049,545 1.543,546 0.868,547 0.274,548 0.174,549 0.053,550 0.016,551 3516,552 11331,553 2.182,554 33.3,556 7,559 3,564 1.625,565 2.051,566 2.825,567 1.152,569 1,571 1,573 53.93,574 1.798,575 3.372,576 4.119,577 4.774,578 4.907,579 4.907,580 2.271,581 4.222,582 4.295,583 2.902,584 551.298,585 7.372,586 5292.92,587 1,588 1,590 1,591 147.207,592 1.544,593 4.251,594 0.217,596 0.095,597 0.055,598 0.051,599 0.033,600 0.014,601 0.014,602 0.009,603 0.008,604 0.498,605 0.5,606 1,607 0.548,608 85.106,609 -0.085,610 0.193,611 -0.007,612 0.085,613 -0.119,614 0.089,615 0.053,616 -0.178,617 -0.001,618 -0.087,619 -0.006,620 -0.094,621 0.145,622 -0.153,623 -0.073,624 -0.122,625 0.096,626 -0.124,627 -0.239,628 -0.045,629 -0.051,630 -0.015,631 -0.09,632 -0.091,633 -0.112,634 0.018,635 0.095,636 0.059,637 -0.109,638 0.114,639 -0.051,640 0.021,641 -0.058,642 -0.104,643 -0.026,644 -0.052,645 -0.098,646 0.044,647 -0.05,648 0.018,649 -0.131,650 -0.077,651 0.043,653 -0.028,654 0.044,655 -0.037,656 -0.015,657 2.493,658 5.375,659 0.9,660 11.78,661 1.024,662 1.114,663 2.688,664 7.226,665 0.744,666 3.178,667 3.584,668 3.951,669 4.29,670 4.605,671 4.71,672 4.868,673 4.99,674 4.99,675 4.905,676 4.258,677 0.721,678 332.17,679 3.178,680 4.762,681 5.666,682 6.6,683 7.53,684 8.471,685 9.411,686 10.356,687 11.3,688 12.247,689 10,691 1,694 1,696 1,707 7,712 5,714 12,730 1,732 1,733 30,735 13,736 2,737 23,738 1,739 33,740 14,741 12,742 5,743 7,747 4,748 6,757 1,760 1,762 13,763 1,766 1,771 1,775 1,778 1,779 1,782 10,783 5,784 3,785 6,786 1,791 3,795 1,796 0.25,797 2,815 1,816 3,819 1,820 1,829 1,845 1,849 1,854 20,864 3,865 1,869 1,877 1,878 6.7,881 1,883 1,885 9.75,886 5.31,887 4.222,888 1.668,890 2.437,891 1.335,892 1.051,893 2.572,894 9.708,895 3.434,896 4.06,897 4.644,898 5.208,899 5.763,900 5.944,901 6.3,902 6.66,903 6.897,904 7.124,905 0.8,906 37,907 7.397,909 3.359,910 7.8,911 13.905,913 11.959,915 2.3,916 46,917 0.001,920 82.398,921 88.036,922 99.741,924 36.145,927 133.99,928 118.543,929 53.787,931 18.011,932 84.222,933 47.738,934 27.997,936 82.398,937 45.954,938 82.398,939 141.823,940 36.145,942 45.954,943 82.398,944 36.145,947 35.899,948 88.036,949 17.888,950 45.954,951 82.398,952 89.932,953 133.99,956 82.398,957 21.702,958 66.334,959 99.741,960 36.145,961 82.398,962 89.932,963 133.99,965 0.6,966 0.368,967 0.208,968 0.124,969 21,970 8,973 2,974 1.278,975 3.159,976 170.091,977 0.222,978 19,979 86.439,985 12.203,986 4.216,987 1.708,989 89.932,990 13.066,995 3.811,997 53.787,998 306.32,999 30,1004 12.375,1008 -0.243,1011 30.724,1012 33.416,1013 0.366,1014 0.687,1015 0.839,1016 0.973,1017 1,1018 1,1019 4.718,1020 1.088,1021 5.714,1022 3.175,1023 4.263,1024 4.745,1025 2.608,1026 6.673,1027 4.154,1028 5.957,1029 0.694,1030 7.371,1031 2.814,1032 4.111,1033 4.649,1034 2.418,1035 8.148,1036 3.906,1037 7.31,1038 0.176,1039 9.152,1040 1.65,1041 6.038,1042 6.941,1043 3.881,1044 11.308,1045 5.831,1046 8.702,1047 -0.334,1048 11.016,1049 0.439,1050 6.746,1051 7.622,1052 4.354,1053 13.677,1054 6.462,1055 10.132,1056 -0.618,1057 12.937,1058 -0.821,1059 8.218,1060 9.433,1061 5.475,1062 16.494,1063 7.913,1064 11.589,1065 -0.678,1066 14.9,1067 -1.651,1068 9.291,1069 10.475,1070 6.201,1071 19.13,1072 8.922,1073 13.067,1074 -0.827,1075 16.894,1076 -1.667,1077 10.625,1078 12.083,1079 7.191,1080 21.877,1081 10.22,1082 3.684,1083 -1.074,1084 18.911,1085 -2.525,1086 11.839,1087 13.305,1088 8.016,1089 24.582,1090 11.378,1091 2.817,1092 15.343,1093 20.945,1094 -3.097,1095 13.139,1096 14.819,1097 8.95,1098 27.316,1099 12.633,1100 2.497,1101 9.088,1102 22.99,1103 4.225,1104 14.406,1105 16.134,1106 9.815,1107 30.04,1108 13.847,1109 2.065,1110 8.013,1111 25.045,1112 3.797,1113 15.701,1114 17.602,1115 10.726,1116 32.771,1117 15.093,1118 1.697,1119 5.938,1120 27.107,1121 3.276,1122 16.989,1123 18.967,1124 11.607,1125 35.499,1126 16.329,1127 1.618,1128 5.024,1129 29.173,1130 2.625,1131 18.286,1132 20.413,1133 12.508,1134 38.23,1135 17.576,1136 1.438,1137 4.441,1138 31.243,1139 2.207,1140 19.582,1141 21.807,1142 13.396,1143 40.96,1144 18.82,1145 3328,1146 6072,1147 15.603,1148 22.324,1149 35.994,1150 36.621,1151 37.469,1152 35.751,1153 35.551,1154 45.506,1155 8.179,1156 111.853,1157 33.454,1158 5.768,1159 6.373,1160 7.695,1161 5.757,1162 5.684,1163 7.225,1164 4.061,1165 23.45,1166 5.502,1167 7.315,1168 1.565,1169 1.592,1170 1.629,1171 1.554,1172 1.546,1173 1.979,1174 0.356,1175 4.863,1176 1.455,1177 4.053,1178 4.076,1179 6.88,1180 3.956,1181 7.429,1182 3.96,1183 3.867,1184 3.894,1185 3.994,1186 3.803,1187 4.938,1188 3.799,1189 3.466,1190 3.497,1191 3.787,1192 3.319,1193 4.712,1194 3.326,1195 3.142,1196 3.226,1197 3.322,1198 2.902,1199 4.331,1200 2.908,1201 2.922,1202 2.976,1203 3.024,1204 2.785,1205 4.065,1206 2.773,1207 2.827,1208 2.879,1209 2.798,1210 2.708,1211 3.948,1212 2.7,1213 2.615,1214 2.646,1215 2.677,1216 2.497,1217 3.622,1218 2.49,1219 2.555,1220 2.604,1221 2.424,1222 2.262,1223 3.481,1224 2.291,1225 0.21,1226 0.19,1227 0.348,1228 0.202,1229 0.16,1230 4.823,1231 0.184,1232 4.373,1233 0.106,1234 8.01,1235 0.667,1236 4.636,1237 0.152,1238 3.684,1239 4.225,1240 2.443,1241 15.343,1242 3.502,1243 1.917,1244 1.897,1245 2.002,1246 2.044,1247 1.137,1248 2.029,1249 1.845,1250 1.823,1251 1.916,1252 1.913,1253 1.049,1254 1.926,1255 1.417,1256 1.389,1257 1.514,1258 1.677,1259 0.607,1260 1.635,1261 1.033,1262 0.974,1263 1.212,1264 1.351,1265 0.237,1266 1.317,1267 0.909,1268 0.857,1269 1.124,1270 1.107,1271 0.19,1272 1.116,1273 0.809,1274 0.76,1275 1.068,1276 0.981,1277 0.132,1278 1.018,1279 0.757,1280 0.72,1281 0.905,1282 0.908,1283 0.048,1284 0.927,1285 0.441,1286 0.329,1287 0.762,1288 0.785,1290 0.788,1291 3.85,1293 5.231,1294 2.398,1295 6.834,1296 4.949,1297 8.538,1298 7.222,1299 10.296,1300 3.424,1309 8.842,1310 5.968,1314 -1.243,1318 21.626,1319 53.93,1320 101.149,1321 123.555,1322 143.207,1323 147.207,1324 147.207,1325 27.483,1326 7.271,1327 62.39,1328 62.39,1329 23,1330 12.738,1331 3.807,1332 3,1333 25.962,1334 49,1335 50,1336 0.265,1337 135.287,1338 230.9,1339 321.86,1340 12436,1341 3.3,1342 13.742,1343 0.687,1344 0.591,1345 14.742,1346 11.822,1347 9.688,1348 0.421,1349 0.3,1350 6.074,1351 8.762,1352 5.95,1353 4.863,1354 10.266,1355 6.91,1356 9.202,1357 0.263,1358 0.16,1359 10.019,1360 5.589,1361 8.321,1362 0.163,1363 0.077,1364 8.845,1365 3.945,1366 7.246,1367 0.101,1368 0.039,1369 7.667,1370 2.841,1371 6.461,1372 0.065,1373 0.022,1374 7.103,1375 2.162,1376 0.388,1377 69.13,1378 0.253,1379 19.119,1380 0.821,1381 116,1382 345.124,1383 194.896,1384 368.936,1385 503.21,1386 344,1387 144,1388 359.482,1389 187.674,1390 371.659,1391 558.73,1392 352,1393 4.928}
{0 CHEMBL1301371,1 1.84,2 10.778,3 4.046,4 16.367,5 103.764,6 9.347,7 0.621,8 3.867,9 3.948,10 3.763,11 3.532,12 5.042,13 3.484,14 4.363,15 4.478,16 4.076,17 3.872,18 5.754,19 3.826,20 4.612,21 4.76,22 4.182,23 3.969,24 6.022,25 3.897,26 4.604,27 4.79,28 4.13,29 3.883,30 5.946,31 3.809,32 4.543,33 4.695,34 4.134,35 3.801,36 5.964,37 3.762,38 4.471,39 4.621,40 4.112,41 3.737,42 6.157,43 3.726,44 4.342,45 4.477,46 3.845,47 3.72,48 5.68,49 3.651,50 4.261,51 4.42,52 3.852,53 3.688,54 5.558,55 3.598,56 0.107,57 0.614,58 7.472,59 4.117,60 17.273,61 4.134,62 0.326,63 0.982,64 14.565,65 6.629,66 55.15,67 7.258,68 0.625,69 1.177,70 19.87,71 8.29,72 77.675,73 9.028,74 0.473,75 1.174,76 26.204,77 9.395,78 53.278,79 10.051,80 0.593,81 1.07,82 27.073,83 8.337,84 89.508,85 7.602,86 0.805,87 0.967,88 21.885,89 7.073,90 132.431,91 6.97,92 0.487,93 0.848,94 18.686,95 6.157,96 74.731,97 5.655,98 0.262,99 0.825,100 16.903,101 6.395,102 24.16,103 6.791,104 26,105 41,106 0.315,107 0.614,108 0.731,109 0.829,110 0.863,111 0.863,112 3.34,113 1.04,114 -4.25,115 -4.19,116 -3.95,119 44.2,120 1,125 1,141 9,142 2,143 2,144 1,145 1,148 1,156 1,171 11,173 2,177 1,179 2,182 12,185 5,186 4,189 1,191 2,194 6,199 9,204 3,207 1,212 1,213 12,216 1,225 2,226 12,229 2,234 2,239 7,244 1,247 3,251 8,256 2,259 4,264 8,269 2,271 4,274 1131,275 17.679,276 17.679,277 17.679,278 17.679,279 17.679,280 15.021,281 17.649,282 10.414,283 18.2,284 14.317,285 14.317,286 14.317,287 14.317,288 14.317,289 10.334,290 20.791,291 4.978,292 15.265,293 3.587,294 1.846,295 1.164,296 0.593,297 0.39,298 0.39,299 4.016,302 1,305 1,306 1,307 615,308 3.742,312 291.895,319 1.77,320 40.933,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 58.833,332 291,333 4.865,334 5.263,335 7.314,336 4.26,337 3.406,338 4.718,339 3.272,340 12.542,341 2.914,342 4.307,343 3.624,344 6.399,345 3.898,346 2.947,347 3.899,348 1.058,349 9.707,350 2.767,351 4.03,352 3.044,353 5.535,354 3.604,355 2.628,356 3.64,358 7.515,359 2.562,360 3.848,361 2.87,362 5.383,363 3.417,364 2.429,365 3.406,367 6.929,368 2.388,369 3.467,370 2.719,371 4.948,372 3.048,373 2.092,374 2.746,376 5.672,377 1.971,378 3.192,379 2.299,380 4.723,381 2.742,382 1.77,383 2.433,385 4.88,386 1.689,387 3.061,388 2.139,389 4.622,390 2.516,391 1.615,392 2.253,394 4.632,395 1.454,396 2.867,397 1.509,398 3.795,399 2.357,400 1.39,401 2.017,403 3.026,404 1.289,405 2.671,406 1.402,407 3.61,408 2.193,409 1.202,410 1.749,412 2.76,413 1.188,414 2.529,415 1.239,416 3.474,417 2,418 1,419 1.5,421 2.494,422 1,423 2.5,424 1.045,425 3.247,426 1.96,427 1,428 1.478,430 2.136,431 0.951,432 1.257,433 1,434 3.145,435 0.861,441 1.194,442 0.487,443 2.796,444 0.818,445 -0.14,446 -0.177,448 -0.37,449 -0.13,450 1.18,451 0.354,452 2.671,453 0.643,454 -0.267,455 -0.361,457 -0.633,458 -0.24,459 1,460 -0.131,461 2.258,462 0.56,463 -0.438,464 -0.543,466 -1.03,467 -0.436,468 13.248,469 0.491,470 0.824,471 0.031,472 40,473 1.481,474 23,475 0.852,476 17,477 0.63,478 18.86,479 0.699,480 28.152,481 0.655,482 31.055,483 1.15,484 7.831,485 0.29,486 5.017,487 0.186,488 0.167,489 0.063,490 0.264,493 0.518,494 1.201,495 0.688,496 1.063,497 0.625,498 0.845,499 0.583,500 1.22,501 0.806,502 1.101,503 0.613,504 0.948,505 0.848,506 1.056,507 0.892,508 0.982,509 0.992,510 1.059,511 0.9,512 1.122,513 0.894,514 1.101,515 0.856,516 0.913,517 1.54,518 1.055,519 0.948,520 1.004,521 1.729,522 0.874,523 1.137,524 0.899,525 0.903,526 0.786,527 1.141,528 0.711,529 1.777,530 0.924,531 1.476,532 0.868,533 1.645,534 1.02,535 1.001,536 1.051,537 1.201,538 1.06,539 0.717,540 1.006,541 7,542 0.091,543 3.333,544 2.25,545 1.747,546 1.229,547 0.448,548 0.526,549 0.296,550 0.224,551 8539,552 27793,553 2.005,554 37.2,555 3,556 11,558 1,559 1,564 1.702,565 1.851,566 3.403,567 -0.272,569 1,573 79.109,574 1.84,575 3.581,576 4.263,577 4.833,578 5.037,579 5.037,580 2.865,581 4.533,582 4.725,583 3.566,584 1251.56,585 8.213,586 16064.5,588 1,590 1,591 233.329,592 1.623,593 4.663,594 0.241,595 0.005,596 0.081,597 0.055,598 0.046,599 0.033,600 0.012,601 0.018,602 0.01,603 0.01,604 0.512,605 0.17,606 1,607 0.627,608 133.798,609 0.045,610 -0.091,611 0.121,612 -0.041,613 -0.122,614 0.025,615 0.192,616 -0.159,617 0.024,618 -0.125,619 0.147,620 -0.055,621 0.172,622 -0.028,623 -0.002,624 -0.062,625 0.016,626 -0.157,627 0.07,628 -0.103,629 0.147,630 -0.041,631 0.117,632 0.091,633 -0.173,634 -0.036,635 0.074,636 0.024,637 -0.218,638 0.045,639 0.269,640 0.117,641 0.131,642 0.141,643 0.326,644 0.181,645 -0.498,646 0.078,647 -0.359,648 0.041,649 -0.41,650 -0.149,651 -0.139,652 -0.026,653 -0.075,654 -0.044,655 0.02,656 -0.044,657 4.743,658 5.591,659 0.667,660 25.284,661 1.02,662 1.114,663 3.016,664 9.096,665 0.726,666 3.401,667 3.738,668 3.932,669 4.143,670 4.331,671 4.344,672 4.317,673 4.419,674 4.382,675 4.454,676 6.416,677 0.696,678 401.9,679 3.401,680 4.949,681 5.778,682 6.655,683 7.503,684 8.385,685 9.239,686 10.124,687 10.983,688 11.871,689 7,696 1,699 2,707 10,708 2,712 6,714 18,720 1,732 1,733 43,735 21,736 2,737 29,739 45,740 19,741 16,742 3,743 9,744 1,747 3,748 3,749 1,753 1,762 17,763 2,766 3,769 1,771 3,775 1,779 1,782 16,783 6,784 1,785 8,786 2,791 3,796 1,797 3,810 1,816 3,845 3,848 1,850 1,851 1,854 27,857 1,862 1,864 1,877 1,878 7,881 3,885 14.583,886 8.043,887 5.847,888 2.35,890 3.042,891 1.434,892 0.992,893 5.665,894 10.059,895 3.738,896 4.376,897 4.854,898 5.378,899 5.879,900 6.012,901 6.175,902 6.462,903 6.608,904 7,905 1,906 41,907 10.274,909 4.728,910 8.081,911 18.476,913 15.07,915 2.581,916 69.694,919 1,920 176.567,921 130.887,922 51.582,923 39.149,924 69.458,926 6.046,927 124.842,928 285.173,929 51.582,930 8.825,931 18.91,932 91.332,933 119.505,934 24.433,935 0.693,936 164.795,937 39.149,938 176.567,939 176.423,940 69.458,941 45.195,943 176.567,944 69.458,947 40.233,948 102.619,949 78.766,951 176.567,952 121.04,953 170.036,955 6.046,956 176.567,957 21.683,958 103.159,959 18.011,960 142.178,961 176.567,962 121.04,963 170.036,965 0.589,966 0.33,967 0.169,968 0.091,969 19,970 9,971 0.111,972 5,974 1,975 3.805,976 224.728,978 18,979 118.382,984 1,985 19.185,986 7.972,987 4.777,989 121.04,990 16.97,991 7.715,995 1.46,997 18.011,998 467.642,999 41,1002 -3.827,1004 37.685,1008 -0.607,1011 43.873,1012 47.894,1013 0.339,1014 0.66,1015 0.786,1016 0.891,1017 0.928,1018 0.928,1019 4.966,1020 1.39,1021 5.802,1022 4.632,1023 4.419,1024 5.063,1025 3.205,1026 6.635,1027 4.29,1028 6.218,1029 1.202,1030 7.386,1031 3.026,1032 4.205,1033 5.112,1035 7.818,1036 3.919,1037 7.566,1038 1,1039 9.085,1040 2.76,1041 6.084,1042 7.366,1043 5.45,1044 10.84,1045 5.782,1046 8.956,1047 1,1048 10.857,1049 2.494,1050 6.661,1051 8.208,1053 12.869,1054 6.155,1055 10.38,1057 12.678,1058 2.136,1059 8.087,1060 10.005,1061 7.808,1062 15.513,1063 7.549,1064 11.831,1065 -0.14,1066 14.536,1068 9.012,1069 11.209,1071 17.856,1072 8.261,1073 13.304,1074 -0.267,1075 16.42,1076 -0.37,1077 10.279,1078 12.838,1079 10.177,1080 20.402,1081 9.458,1082 3.406,1083 -0.438,1084 18.325,1085 -0.633,1086 11.36,1087 14.214,1089 22.858,1090 10.333,1091 2.947,1092 12.542,1093 20.247,1094 -1.03,1095 12.575,1096 15.779,1097 12.548,1098 25.381,1099 11.442,1100 2.628,1101 9.707,1102 22.181,1103 4.718,1104 13.725,1105 17.24,1107 27.879,1108 12.399,1109 2.429,1110 7.515,1111 24.125,1112 3.899,1113 14.928,1114 18.784,1115 14.919,1116 30.4,1117 13.468,1118 2.092,1119 6.929,1120 26.078,1121 3.64,1122 16.11,1123 20.287,1125 32.914,1126 14.467,1127 1.77,1128 5.672,1129 28.036,1130 3.406,1131 17.314,1132 21.826,1133 17.29,1134 35.436,1135 15.52,1136 1.615,1137 4.88,1138 30,1139 2.746,1140 18.513,1141 23.35,1143 37.958,1144 16.541,1145 8342,1146 15280,1147 18.781,1148 31.216,1149 43.567,1150 46.506,1151 44.53,1152 43.206,1153 42.957,1154 59.679,1155 8.661,1156 124.584,1157 40.346,1158 5.714,1159 7.263,1160 7.116,1161 5.384,1162 5.406,1163 7.718,1164 6.545,1165 19.968,1166 4.914,1167 14.459,1168 1.502,1169 1.604,1170 1.536,1171 1.49,1172 1.481,1173 2.058,1174 0.299,1175 4.296,1176 1.391,1177 4.093,1178 4.079,1179 4.741,1180 4.074,1181 7.714,1182 3.984,1183 3.928,1184 3.956,1185 3.969,1186 3.86,1187 7.429,1188 3.853,1189 3.846,1190 3.874,1191 3.842,1192 3.774,1193 6.999,1194 3.76,1195 3.641,1196 3.618,1197 3.781,1198 3.565,1199 5.023,1200 3.519,1201 3.286,1202 3.344,1203 3.317,1204 3.078,1205 4.759,1206 3.089,1207 3.118,1208 3.188,1209 3.065,1210 2.931,1211 4.737,1212 2.934,1213 2.914,1214 2.955,1215 2.938,1216 2.804,1217 4.438,1218 2.783,1219 2.854,1220 2.925,1221 2.788,1222 2.735,1223 4.01,1224 2.715,1225 0.168,1226 0.181,1227 0.252,1228 0.147,1229 0.117,1230 4.865,1231 0.163,1232 5.263,1233 0.113,1234 7.314,1235 0.432,1236 4.26,1237 0.1,1238 3.406,1239 4.718,1240 3.272,1241 12.542,1242 2.914,1243 1.966,1244 1.97,1245 2.038,1246 2.053,1247 1.257,1248 2.08,1249 1.916,1250 1.887,1251 2.033,1252 2.008,1253 1.132,1254 2.021,1255 1.796,1256 1.782,1257 1.764,1258 1.916,1259 0.928,1260 1.919,1261 1.506,1262 1.528,1263 1.55,1264 1.631,1265 0.727,1266 1.663,1267 1.236,1268 1.166,1269 1.461,1270 1.464,1271 0.605,1272 1.488,1273 1.078,1274 1.023,1275 1.269,1276 1.332,1277 0.264,1278 1.329,1279 0.886,1280 0.853,1281 1.181,1282 1.062,1283 0.218,1284 1.107,1285 0.884,1286 0.821,1287 1.009,1288 1.05,1289 0.165,1290 1.082,1291 4.078,1293 5.407,1295 6.927,1297 8.528,1299 10.171,1301 1.89,1302 6.018,1307 -0.269,1309 2.66,1318 29.911,1319 79.109,1320 153.971,1321 183.29,1322 207.82,1323 216.574,1324 216.574,1325 64.177,1326 7.017,1327 89.02,1328 97.4,1329 18,1330 12.407,1331 4.459,1332 3.7,1333 46.903,1334 103,1335 100,1336 0.221,1337 193.406,1338 334.17,1339 463.671,1340 10070,1341 2.3,1342 19.441,1343 0.72,1344 0.591,1345 20.191,1346 15.958,1347 12.848,1348 0.443,1349 0.347,1350 8.109,1351 11.45,1352 7.698,1353 6.42,1354 13.958,1355 10.053,1356 12.199,1357 0.298,1358 0.2,1359 13.87,1360 8.208,1361 9.384,1362 0.188,1363 0.109,1364 10.833,1365 5.434,1366 7.636,1367 0.123,1368 0.061,1369 8.974,1370 3.812,1371 5.786,1372 0.077,1373 0.035,1374 7.032,1375 2.612,1376 0.346,1377 91.324,1378 0.231,1379 25.943,1380 0.612,1381 140,1382 471.893,1383 205.03,1384 509.496,1385 667.96,1386 466,1387 161,1388 431.102,1389 229.992,1390 482.779,1391 698.6,1392 449,1393 5.259}
{0 CHEMBL1301723,1 1.514,2 7.962,3 2.973,4 8.839,5 102.271,6 8.702,7 0.393,8 3.762,9 3.845,10 3.463,11 3.416,12 5.105,13 3.413,14 4.185,15 4.292,16 3.762,17 3.742,18 5.425,19 3.728,20 4.428,21 4.593,22 3.836,23 3.84,24 5.698,25 3.809,26 4.45,27 4.602,28 3.918,29 3.869,30 5.879,31 3.851,32 4.512,33 4.646,34 4.027,35 3.936,36 5.974,37 3.939,38 4.597,39 4.736,40 4.032,41 4.002,42 6.042,43 3.992,44 4.621,45 4.781,46 3.913,47 3.997,48 6.055,49 3.945,50 4.531,51 4.74,52 3.608,53 3.838,54 5.799,55 3.725,56 0.027,57 0.479,58 4.922,59 2.975,60 7.048,61 3.27,62 0.075,63 0.741,64 8.492,65 4.7,66 11.12,67 5.106,68 0.23,69 0.983,70 14.402,71 6.419,72 25.726,73 7.434,74 0.274,75 1.015,76 14.188,77 6.513,78 50.604,79 7.441,80 0.303,81 1.054,82 14.504,83 6.513,84 50.137,85 6.834,86 0.271,87 1.141,88 15.946,89 7.168,90 58.398,91 7.238,92 0.375,93 1.151,94 17.618,95 7.95,96 95.258,97 8.722,98 0.265,99 1.071,100 17.92,101 8.148,102 35.627,103 10.478,104 15,105 37,106 0.261,107 0.55,108 0.742,109 0.847,110 0.859,111 0.859,112 3.305,113 0.833,114 -2.41,115 -2.44,116 -2.39,119 53.8,134 4,135 1,136 1,137 2,141 7,142 1,149 1,150 1,155 1,156 2,171 9,174 10,182 9,185 1,186 5,194 6,198 4,199 7,207 6,212 1,213 11,221 7,226 12,234 14,238 2,239 5,247 16,250 2,251 7,259 9,264 6,271 2,274 1118,275 18.052,276 18.052,277 18.052,278 18.052,279 18.052,280 15.662,281 12.732,282 10.918,283 18.144,284 13.698,285 13.698,286 13.698,287 13.698,288 13.698,289 9.918,290 14.32,291 4.988,292 13.859,293 3.772,294 2.096,295 0.985,296 0.378,297 0.308,298 0.308,299 3.985,304 1,305 1,306 1,307 433,308 3.742,311 77.623,312 185.123,319 1.05,320 28.935,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 55.5,332 207,333 4.527,334 4.256,335 6.828,336 4.168,337 3.196,338 3.99,339 2.689,340 11.287,341 3.118,342 4.262,343 3.869,344 6.264,345 3.806,346 2.806,347 3.753,348 1.539,349 9.252,350 2.794,351 3.955,352 3.657,353 5.604,354 3.532,355 2.531,356 3.526,357 0.8,358 7.384,359 2.533,360 3.726,361 3.105,362 5.308,363 3.223,364 2.246,365 3.036,367 6.646,368 2.192,369 3.433,370 2.559,371 4.733,372 2.846,373 1.849,374 2.564,376 4.744,377 1.838,378 3.303,379 2.309,380 4.03,381 2.515,382 1.514,383 2.155,385 3.363,386 1.513,387 3.016,388 2.163,389 3.721,390 2.247,391 1.259,392 1.688,394 2.838,395 1.243,396 3,397 1.699,398 3.579,399 2.154,400 1.174,401 1.645,403 2.735,404 1.149,405 2.696,406 1.323,407 3.435,408 2.048,409 1.044,410 1.5,412 2.459,413 1.044,414 2.55,415 1.295,416 3.247,417 2,418 1,419 1.472,421 2.136,422 1,423 2.5,424 1.223,425 3.134,426 1.618,427 0.618,428 1.303,430 1.372,431 0.618,432 2.28,433 1,434 3,435 1.547,436 0.618,437 0.927,439 1.209,440 0.572,441 2.118,442 0.923,443 2.618,444 1.524,445 0.488,446 0.795,448 0.791,449 0.501,450 1.936,451 0.618,452 2.586,453 0.834,454 -0.117,455 -0.238,457 -0.178,458 -0.111,459 0.966,460 -0.119,461 2.354,462 0.443,463 -0.531,464 -0.711,466 -1.225,467 -0.515,468 12.367,469 0.476,470 0.431,471 0.017,472 39.5,473 1.519,474 23.5,475 0.904,476 16,477 0.615,478 15.89,479 0.611,480 24.833,481 0.637,482 30.989,483 1.192,484 8.2,485 0.315,486 4.541,487 0.175,488 0.092,490 0.275,493 0.69,494 1.047,495 0.639,496 0.924,497 0.466,498 0.807,499 0.903,500 1.132,501 0.863,502 1.073,503 0.542,504 0.988,505 0.968,506 1.011,507 0.897,508 0.927,509 0.674,510 0.906,511 0.97,512 0.895,513 0.847,514 0.936,515 1.064,516 0.894,517 1.254,518 1.034,519 0.875,520 0.916,521 1.321,522 0.843,523 1.51,524 0.974,525 1.069,526 0.978,527 1.418,528 0.949,529 1.231,530 0.898,531 1.18,532 1.022,533 0.934,534 1.087,535 0.57,536 1.09,537 1.121,538 1.215,539 0.511,540 1.269,541 3.5,542 0.025,543 2.667,544 1.91,545 1.248,546 1.076,547 0.673,548 0.284,549 0.187,550 0.107,551 6693,552 21782,553 2.059,554 33.3,556 11,557 2,564 1.703,565 1.95,566 2.971,567 -0.798,568 1,569 1,573 59.031,574 1.514,575 3.189,576 4.301,577 4.907,578 4.978,579 4.978,580 2.377,581 3.825,582 4.673,583 3.136,584 1019.15,585 8.166,586 12738.4,587 1,588 1,590 1,591 206.131,592 1.3,593 4.642,594 0.125,595 0.012,596 0.072,597 0.049,598 0.03,599 0.023,600 0.014,601 0.007,602 0.006,603 0.008,604 0.347,605 0.33,606 1,607 1.006,608 123.955,609 -0.017,610 -0.116,611 0.039,612 -0.058,613 0.024,614 -0.013,615 -0.073,616 -0.195,617 -0.099,618 -0.179,619 -0.043,620 -0.152,621 -0.017,622 -0.032,623 0.049,624 0.034,625 0.063,626 0.047,627 0.104,628 0.085,629 0.081,630 0.011,631 0.057,632 0.026,633 -0.01,634 -0.042,635 0.028,636 0.007,637 -0.08,638 0.027,639 -0.237,640 0.005,641 -0.154,642 -0.044,643 -0.17,644 -0.069,645 -0.086,646 0.038,647 -0.213,648 -0.041,649 0.051,650 -0.13,651 0.142,652 -0.184,653 -0.069,654 -0.172,655 0.114,656 -0.171,657 1.922,658 6.117,659 0.654,660 19.615,661 1.01,662 1.102,663 1.177,664 1.385,665 0.737,666 3.367,667 3.638,668 3.932,669 4.174,670 4.331,671 4.369,672 4.477,673 4.489,674 4.431,675 4.344,676 5.316,677 0.721,678 339.37,679 3.367,680 4.875,681 5.72,682 6.583,683 7.451,684 8.325,685 9.201,686 10.081,687 10.962,688 11.845,689 7.7,692 1,698 2,707 8,710 1,712 2,714 11,719 1,733 39,735 18,736 1,737 28,739 41,740 21,741 10,742 1,743 5,744 9,747 3,748 3,761 2,762 19,766 5,771 1,773 5,775 4,778 1,779 1,781 1,782 13,783 5,785 5,791 3,796 1,797 2,815 1,816 2,826 2,835 6,836 1,841 1,845 3,854 26,868 1,870 2,874 2,876 2,878 5.1,881 1,883 1,885 13.333,886 7.267,887 6.056,888 2.218,890 2.815,891 1.417,892 0.979,893 5.177,894 9.573,895 3.773,896 4.259,897 4.876,898 5.401,899 5.784,900 6.064,901 6.448,902 6.754,903 6.975,904 7.281,905 1,906 39,907 9.531,909 4.009,910 8.019,911 17.541,913 13.763,915 2.519,916 65.5,920 153.024,921 180.696,922 65.243,924 34.652,927 180.696,928 187.677,929 65.243,931 9.047,932 115.978,933 68.995,934 81.122,935 28.991,936 129.482,938 153.024,939 245.939,940 34.652,943 153.024,944 34.652,947 65.243,948 137.278,949 43.418,951 153.024,952 99.895,953 180.696,956 153.024,957 22.467,958 128.15,959 33.203,960 96.771,961 153.024,962 99.895,963 180.696,965 0.559,966 0.346,967 0.196,968 0.1,969 16,970 7,971 0.098,972 4,974 1,975 3.647,976 219.73,978 17,979 114.211,985 17.082,986 7.88,987 3.689,989 99.895,990 13.74,993 5.346,995 0.977,998 433.616,999 42.5,1004 13.117,1006 8.281,1008 0.26,1011 39.378,1012 42.99,1013 0.286,1014 0.603,1015 0.814,1016 0.928,1017 0.942,1018 0.942,1019 4.996,1020 1.174,1021 5.673,1022 2.838,1023 4.317,1024 4.945,1025 3.052,1026 6.475,1027 4.294,1028 6.207,1029 1.044,1030 7.223,1031 2.735,1032 3.761,1033 4.407,1034 0.325,1035 7.409,1036 3.723,1037 7.5,1038 1,1039 8.884,1040 2.459,1041 5.883,1042 7.067,1043 4.765,1044 10.549,1045 5.829,1046 8.83,1047 0.618,1048 10.615,1049 2.136,1050 6.256,1051 7.472,1052 0.268,1053 12.363,1054 6.181,1055 10.193,1056 0.618,1057 12.392,1058 1.372,1059 7.764,1060 9.445,1061 6.665,1062 15.014,1063 7.673,1064 11.58,1065 0.488,1066 14.199,1067 1.209,1068 8.553,1069 10.298,1070 0.188,1071 17.168,1072 8.437,1073 12.986,1074 -0.117,1075 16.028,1076 0.791,1077 9.825,1078 11.961,1079 8.619,1080 19.663,1081 9.69,1082 3.196,1083 -0.531,1084 17.872,1085 -0.178,1086 10.805,1087 13.045,1088 0.125,1089 21.961,1090 10.643,1091 2.806,1092 11.287,1093 19.728,1094 -1.225,1095 11.988,1096 14.559,1097 10.59,1098 24.402,1099 11.804,1100 2.531,1101 9.252,1102 21.593,1103 3.99,1104 13.055,1105 15.766,1106 0.082,1107 26.764,1108 12.844,1109 2.246,1110 7.384,1111 23.466,1112 3.753,1113 14.208,1114 17.205,1115 12.566,1116 29.188,1117 13.972,1118 1.849,1119 6.646,1120 25.345,1121 3.526,1122 15.317,1123 18.48,1124 0.054,1125 31.579,1126 15.053,1127 1.514,1128 4.744,1129 27.229,1130 3.036,1131 16.461,1132 19.881,1133 14.544,1134 33.998,1135 16.172,1136 1.259,1137 3.363,1138 29.118,1139 2.564,1140 17.591,1141 21.194,1142 0.035,1143 36.404,1144 17.273,1145 6626,1146 12073,1147 18.781,1148 28.733,1149 44.103,1150 46.9,1151 42.338,1152 40.735,1153 40.686,1154 56.706,1155 10.058,1156 112.429,1157 40.231,1158 5.406,1159 6.256,1160 6.63,1161 5.207,1162 5.196,1163 6.99,1164 5.379,1165 18.802,1166 5.118,1167 10.964,1168 1.575,1169 1.675,1170 1.512,1171 1.455,1172 1.453,1173 2.025,1174 0.359,1175 4.015,1176 1.437,1177 4.009,1178 4.03,1179 3.97,1180 3.913,1181 7.427,1182 3.921,1183 3.864,1184 3.89,1185 3.803,1186 3.785,1187 6.856,1188 3.787,1189 3.838,1190 3.856,1191 3.792,1192 3.713,1193 6.782,1194 3.728,1195 3.473,1196 3.511,1197 3.442,1198 3.353,1199 5.089,1200 3.369,1201 3.39,1202 3.413,1203 3.324,1204 3.276,1205 4.733,1206 3.284,1207 2.931,1208 2.981,1209 2.915,1210 2.795,1211 4.665,1212 2.795,1213 2.912,1214 2.977,1215 2.834,1216 2.735,1217 4.048,1218 2.715,1219 2.854,1220 2.925,1221 2.712,1222 2.723,1223 3.816,1224 2.713,1225 0.162,1226 0.152,1227 0.244,1228 0.149,1229 0.114,1230 4.527,1231 0.143,1232 4.256,1233 0.096,1234 6.828,1235 0.403,1236 4.168,1237 0.111,1238 3.196,1239 3.99,1240 2.689,1241 11.287,1242 3.118,1243 1.932,1244 1.91,1245 2.031,1246 2.032,1247 1.108,1248 2.029,1249 1.843,1250 1.812,1251 1.944,1252 1.942,1253 1.015,1254 1.948,1255 1.587,1256 1.566,1257 1.711,1258 1.702,1259 0.791,1260 1.696,1261 1.417,1262 1.384,1263 1.563,1264 1.586,1265 0.574,1266 1.582,1267 1.394,1268 1.364,1269 1.479,1270 1.547,1271 0.401,1272 1.53,1273 1.117,1274 1.114,1275 1.245,1276 1.356,1277 0.25,1278 1.314,1279 0.895,1280 0.835,1281 1.181,1282 1.087,1283 0.218,1284 1.112,1285 0.886,1286 0.821,1287 1.15,1288 1.062,1289 0.157,1290 1.107,1291 4.043,1293 5.323,1294 2.398,1295 6.812,1296 4.443,1297 8.396,1298 6.26,1299 10.031,1313 1.527,1316 18.504,1317 3.747,1318 28.128,1319 59.031,1320 124.373,1321 167.724,1322 191.376,1323 194.131,1324 194.131,1325 51.939,1326 6.758,1327 82.72,1328 82.72,1329 17,1330 12.379,1331 4.248,1332 3.954,1333 43.648,1334 77,1335 84,1336 0.263,1337 177.421,1338 326.6,1339 424.668,1340 6241,1342 18.355,1343 0.706,1344 0.526,1345 18.355,1346 13.664,1347 12.741,1348 0.455,1349 0.278,1350 7.696,1351 12.361,1352 7.54,1353 6.294,1354 12.741,1355 7.779,1356 10.496,1357 0.284,1358 0.143,1359 10.496,1360 5.295,1361 9.228,1362 0.185,1363 0.074,1364 9.228,1365 3.69,1366 7.619,1367 0.119,1368 0.039,1369 7.619,1370 2.487,1371 5.618,1372 0.075,1373 0.021,1374 5.618,1375 1.549,1376 0.393,1377 79.174,1378 0.231,1379 24.429,1380 0.789,1381 130,1382 426.406,1383 139.782,1384 422.728,1385 568.33,1386 392,1387 152,1388 410.69,1389 162.532,1390 419.444,1391 603.03,1392 394,1393 4.551}
{0 CHEMBL1301731,1 1.937,2 5.688,3 2.056,4 4.226,5 51.539,6 10.417,7 0.353,8 3.276,9 3.35,10 3.065,11 2.769,12 4.688,13 2.85,14 3.793,15 3.876,16 3.598,17 3.113,18 5.901,19 3.21,20 3.907,21 4.018,22 3.5,23 3.2,24 5.433,25 3.274,26 3.998,27 4.153,28 3.51,29 3.039,30 5.63,31 3.162,32 3.92,33 4.055,34 3.489,35 2.639,36 6.126,37 2.863,38 3.312,39 3.521,40 2.517,41 2.004,42 5.094,43 2.157,44 2.686,45 2.877,46 1.989,47 1.355,48 4.856,49 1.456,50 2.397,51 2.717,52 0.595,53 0.701,54 3.932,55 0.77,56 0.298,57 0.539,58 1.569,59 2.066,60 53.315,61 1.444,62 0.887,63 1.125,64 4.24,65 3.528,66 146.458,67 2.652,68 0.68,69 0.889,70 4.693,71 3.921,72 100.689,73 3.042,74 0.92,75 0.985,76 8.263,77 4.327,78 149.694,79 3.69,80 1.285,81 0.751,82 9.342,83 3.412,84 186.602,85 2.451,86 0.604,87 0.394,88 6.137,89 1.882,90 112.609,91 1.445,92 0.247,93 0.187,94 2.384,95 0.634,96 52.006,97 0.545,98 0.355,99 0.105,100 4.585,101 0.786,102 63.245,103 0.588,104 27,105 26,106 0.403,107 0.743,108 0.819,109 0.864,110 0.864,111 0.864,112 2.856,113 0.756,114 -3.93,115 -3.89,116 -3.69,119 45.5,132 1,134 1,135 1,141 3,142 1,143 2,156 1,161 1,162 1,163 1,171 4,173 1,174 4,179 2,182 5,184 2,186 3,191 1,194 4,197 1,199 3,201 1,202 1,204 1,207 2,210 1,213 1,218 1,223 1,226 1,228 1,229 1,231 1,236 1,274 212,275 9.919,276 9.919,277 9.919,278 9.919,279 9.919,280 8.882,281 13.038,282 5.591,283 10.282,284 8.399,285 8.399,286 8.399,287 8.399,288 8.399,289 6.709,290 15.925,291 2.682,292 9.061,293 2.522,294 0.887,295 0.523,296 0.307,297 0.307,298 0.307,299 3.492,305 1,306 1,307 184,308 2.915,312 68.88,316 59.375,319 0.852,320 40.494,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 39,332 91,333 4.624,334 4.473,335 7.291,336 4.316,337 3.417,338 4.14,339 3.825,340 12.473,341 3.129,342 4.077,343 3.621,344 6.194,345 3.717,346 2.815,347 3.436,348 1.674,349 9.127,350 2.504,351 3.64,352 2.946,353 5.076,354 3.25,355 2.276,356 2.849,358 6.168,359 2.173,360 3.362,361 2.286,362 5.01,363 2.98,364 2,365 2.603,367 5.805,368 1.935,369 2.98,370 2.004,371 4.68,372 2.543,373 1.613,374 2.09,376 4.787,377 1.476,378 2.488,379 1.207,380 3.786,381 1.907,382 0.937,383 1.349,385 2.476,386 0.895,387 1.361,388 0.752,389 2.926,390 0.865,391 -0.132,392 -0.183,394 -0.327,395 -0.129,396 0.988,397 0.51,398 2.594,399 0.649,400 -0.283,401 -0.33,403 -0.773,404 -0.261,405 0.544,406 0.51,407 2.386,408 0.21,409 -0.797,410 -0.939,412 -2.24,413 -0.7,414 0.357,415 -0.04,416 2.255,417 -0.012,418 -1,419 -1,421 -2.879,422 -0.7,423 0.004,424 -0.181,425 2,426 -0.3,427 -1,428 -1,430 -3,431 -0.777,433 -0.556,434 2,435 -0.3,436 -1,437 -1.477,439 -3,440 -0.998,442 -1.073,443 1.745,444 -0.309,445 -1.278,446 -1.582,448 -3.4,449 -1.24,450 -0.341,451 -1.305,452 1.222,453 -0.751,454 -1.718,455 -2.12,456 -0.805,457 -5.08,458 -1.604,459 -0.5,460 -1.55,461 1.118,462 -0.88,463 -1.849,464 -2.231,465 -1.51,466 -5.87,467 -1.783,468 6.924,469 0.433,470 0.71,471 0.044,472 20.25,473 1.266,474 10,475 0.625,476 10.25,477 0.641,478 9.582,479 0.599,480 18.276,481 0.831,482 15.68,483 0.98,484 4.345,485 0.272,486 3.031,487 0.189,488 0.23,489 0.072,490 0.361,491 3,493 0.675,494 0.801,495 0.546,496 0.906,497 0.695,498 0.742,499 0.442,500 0.641,501 0.475,502 0.924,503 0.389,504 0.863,505 0.791,506 0.888,507 0.83,508 1.123,509 0.69,510 1.096,511 1.068,512 1.194,513 0.94,514 1.226,515 1.055,516 1.097,517 1.115,518 1.261,519 1.057,520 0.95,521 1.129,522 0.944,523 1.674,524 1.332,525 1.717,526 1.005,527 1.809,528 1.143,529 1.006,530 0.485,531 1.569,532 0.878,533 1.213,534 1.425,535 2.844,536 1.226,537 2.989,538 0.015,539 2.934,540 0.564,541 5.5,543 2.222,544 1.688,545 1.596,546 0.611,547 0.322,551 1551,552 8204,553 1.909,554 27.3,556 4,559 2,564 1.56,565 1.699,566 2.539,567 0.573,571 1,573 42.624,574 1.937,575 3.573,576 3.936,577 4.152,578 4.152,579 4.152,580 1.924,581 2.983,582 3.976,583 2.599,584 311.873,585 6.736,586 2654.11,588 1,591 98.107,592 1.823,593 3.859,594 0.324,596 0.085,597 0.068,598 0.069,599 0.032,600 0.046,604 0.624,605 1,606 1,607 1.024,608 62.079,609 -0.086,610 0.023,611 -0.032,612 0.068,613 -0.143,614 0.102,615 0.42,616 0.37,617 0.217,618 0.084,619 0.434,620 -0.012,621 -0.116,622 -0.141,623 -0.096,624 -0.177,625 -0.067,626 -0.151,627 -0.165,628 -0.292,629 0.063,630 -0.269,631 -0.166,632 -0.07,633 0.168,634 -0.187,635 0.115,636 -0.013,637 0.147,638 -0.028,639 -0.475,640 -0.226,641 -0.432,642 -0.08,643 -0.488,644 -0.106,645 0.05,646 0.349,647 -0.372,648 -0.126,649 0.031,650 -0.532,651 -1.039,652 0.391,653 -0.992,654 1.05,655 -1.045,656 0.788,657 5.843,658 4.587,659 0.625,660 7.906,661 1.083,662 1.164,663 2.702,664 7.299,665 0.671,666 2.89,667 3.296,668 3.466,669 3.761,670 4.025,671 3.951,672 3.97,673 3.738,674 3.526,675 2.944,676 3.638,677 0.714,678 229.17,679 2.89,680 4.466,681 5.303,682 6.225,683 7.094,684 8.011,685 8.894,686 9.806,687 10.696,688 11.604,689 4.5,693 1,707 3,712 3,714 6,724 1,733 22,735 8,736 1,737 17,739 23,740 10,741 6,742 3,743 3,744 3,747 2,748 3,753 1,759 1,762 9,763 1,766 2,771 1,773 1,775 2,779 1,780 3,782 6,783 6,784 2,785 6,791 1,796 0.5,797 2,816 2,820 1,832 1,835 1,836 1,845 1,852 3,854 16,855 1,865 1,869 1,877 3,878 9.1,881 1,883 1,885 9.417,886 3.929,887 3.306,888 1.114,890 1.694,891 1.283,892 0.986,893 2.337,894 7.68,895 3.135,896 3.75,897 4.252,898 4.803,899 5.354,900 5.514,901 5.709,902 5.903,903 5.871,904 5.433,905 0.75,906 25,907 6.417,909 3.351,910 9.005,911 10.069,913 8.136,915 3.505,916 56.083,920 47.084,921 67.227,922 32.897,924 36.145,925 44.88,927 67.227,928 83.229,929 77.778,932 70.802,933 32.336,934 70.252,936 47.084,937 7.76,938 47.084,939 100.124,940 81.025,943 47.084,944 81.025,947 7.76,948 82.889,949 9.476,951 91.965,952 69.042,953 67.227,956 54.844,957 21.563,958 37.905,960 113.922,961 47.084,962 113.922,963 67.227,965 0.611,966 0.326,967 0.177,968 0.114,969 14,970 7,973 1,974 1.2,975 2.62,976 111.453,977 0.2,978 10,979 59.245,985 10.867,986 3.441,987 2.015,989 113.922,990 3.681,995 -0.115,997 32.897,998 228.234,999 22,1004 10.955,1006 0.429,1008 -2.066,1011 23.829,1012 25.597,1013 0.434,1014 0.801,1015 0.883,1016 0.931,1017 0.931,1018 0.931,1019 4.425,1020 -0.283,1021 5.398,1022 -0.327,1023 3.97,1024 4.431,1025 3.275,1026 6.304,1027 3.832,1028 5.698,1029 -0.797,1030 7.033,1031 -0.773,1032 4.007,1033 4.494,1034 3.903,1035 7.627,1036 3.685,1037 7.056,1038 -1,1039 8.78,1040 -2.24,1041 5.733,1042 6.626,1043 5.488,1044 10.644,1045 5.431,1046 8.444,1047 -1,1048 10.592,1049 -2.879,1050 6.463,1051 7.357,1052 6.69,1053 12.713,1054 5.97,1055 9.857,1056 -1,1057 12.447,1058 -3,1059 7.829,1060 9.094,1061 8.072,1062 15.385,1063 7.328,1064 11.289,1065 -1.278,1066 14.331,1067 -3,1068 8.844,1069 10.146,1070 9.388,1071 17.735,1072 8.185,1073 12.738,1074 -1.718,1075 16.238,1076 -3.4,1077 10.098,1078 11.714,1079 10.737,1080 20.301,1081 9.397,1082 3.417,1083 -1.849,1084 18.161,1085 -5.08,1086 11.231,1087 12.936,1088 12.074,1089 22.756,1090 10.404,1091 2.815,1092 12.473,1093 20.097,1094 -5.87,1095 12.452,1096 14.424,1097 13.417,1098 25.29,1099 11.562,1100 2.276,1101 9.127,1102 22.043,1103 4.14,1104 13.635,1105 15.736,1106 14.758,1107 27.785,1108 12.639,1109 2,1110 6.168,1111 23.997,1112 3.436,1113 14.85,1114 17.186,1115 16.1,1116 30.31,1117 13.779,1118 1.613,1119 5.805,1120 25.957,1121 2.849,1122 16.055,1123 18.546,1124 17.441,1125 32.821,1126 14.889,1127 0.937,1128 4.787,1129 27.922,1130 2.603,1131 17.272,1132 19.978,1133 18.783,1134 35.344,1135 16.024,1136 -0.132,1137 2.476,1138 29.891,1139 2.09,1140 18.486,1141 21.365,1142 20.124,1143 37.862,1144 17.149,1145 1672,1146 3929,1147 10.345,1148 14.773,1149 26.944,1150 26.566,1151 27.369,1152 26.274,1153 26.116,1154 32.936,1155 10.999,1156 81.671,1157 24.223,1158 5.469,1159 6.473,1160 6.574,1161 5.402,1162 5.417,1163 7.14,1164 5.5,1165 20.211,1166 5.129,1167 9.798,1168 1.585,1169 1.563,1170 1.61,1171 1.546,1172 1.536,1173 1.937,1174 0.647,1175 4.804,1176 1.425,1177 4.002,1178 4.015,1179 3.975,1180 3.914,1181 8.513,1182 3.924,1183 3.588,1184 3.623,1185 3.561,1186 3.429,1187 7.999,1188 3.45,1189 3.254,1190 3.259,1191 3.272,1192 2.876,1193 7.999,1194 2.957,1195 2.958,1196 3.053,1197 2.841,1198 2.69,1199 7.434,1200 2.725,1201 2.801,1202 2.857,1203 2.694,1204 2.625,1205 5.117,1206 2.637,1207 2.47,1208 2.509,1209 2.37,1210 2.072,1211 4.656,1212 2.148,1213 2.244,1214 2.34,1215 1.983,1216 1.895,1217 4.075,1218 1.902,1219 1.628,1220 1.746,1221 1.581,1222 1.173,1223 3.853,1224 1.161,1225 0.272,1226 0.263,1227 0.429,1228 0.254,1229 0.201,1230 4.624,1231 0.244,1232 4.473,1233 0.225,1234 7.291,1235 0.734,1236 4.316,1237 0.184,1238 3.417,1239 4.14,1240 3.825,1241 12.473,1242 3.129,1243 1.945,1244 1.932,1245 2.017,1246 2.052,1247 1.138,1248 2.038,1249 1.501,1250 1.476,1251 1.602,1252 1.698,1253 0.655,1254 1.663,1255 0.977,1256 0.968,1257 1.198,1258 1.377,1259 0.183,1260 1.245,1261 0.846,1262 0.772,1263 1.069,1264 1.213,1266 1.209,1267 0.752,1268 0.703,1269 0.87,1270 0.99,1272 1.001,1273 0.3,1274 0.214,1275 0.657,1276 0.664,1278 0.625,1279 0.164,1280 0.084,1281 0.408,1282 0.541,1284 0.551,1287 0.162,1288 0.059,1290 0.102,1291 3.555,1293 4.934,1295 6.5,1297 8.158,1299 9.868,1303 37.76,1305 5.39,1310 4.643,1314 -4.593,1318 15.708,1319 42.624,1320 78.598,1321 86.598,1322 91.353,1323 91.353,1324 91.353,1325 38.592,1326 5.986,1327 56.23,1328 56.23,1329 12,1330 12.123,1331 3.17,1332 2.585,1333 25.657,1334 36,1335 32,1336 0.396,1337 95.651,1338 179.53,1339 225.15,1340 2245,1341 13.6,1342 11.922,1343 0.745,1344 0.49,1345 9.422,1346 7.837,1347 7.376,1348 0.434,1349 0.252,1350 4.156,1351 6.851,1352 4.144,1353 3.374,1354 6.165,1355 4.283,1356 7.891,1357 0.304,1358 0.124,1359 5.896,1360 3.232,1361 5.294,1362 0.171,1363 0.067,1364 4.514,1365 2.074,1366 4.54,1367 0.108,1368 0.034,1369 3.965,1370 1.414,1371 4.018,1372 0.073,1373 0.017,1374 2.931,1375 0.933,1376 0.568,1377 48.189,1378 0.311,1379 15.454,1380 1.261,1381 86,1382 499.117,1383 110.576,1384 393.748,1385 495.92,1386 360,1387 100,1388 336.754,1389 116.957,1390 318.129,1391 485.52,1392 297,1393 5.322}
{0 CHEMBL1303426,1 1.916,2 9.5,3 2.838,4 8.056,5 104.978,6 9.776,7 0.516,8 3.89,9 3.988,10 3.675,11 3.39,12 5.215,13 3.425,14 4.363,15 4.494,16 4.081,17 3.774,18 5.737,19 3.813,20 4.55,21 4.693,22 4.218,23 3.899,24 5.86,25 3.929,26 4.72,27 4.874,28 4.305,29 3.931,30 6.162,31 3.966,32 4.75,33 4.92,34 4.127,35 3.886,36 6.202,37 3.898,38 4.595,39 4.76,40 4.098,41 3.84,42 5.959,43 3.829,44 4.612,45 4.801,46 4.098,47 3.744,48 6.138,49 3.734,50 4.476,51 4.674,52 3.775,53 3.59,54 5.811,55 3.555,56 0.306,57 0.67,58 4.345,59 3.032,60 11.881,61 3.148,62 0.509,63 1.034,64 9.964,65 5.043,66 52.526,67 5.469,68 0.638,69 1.191,70 13.752,71 5.937,72 41.578,73 6.173,74 0.934,75 1.276,76 17.551,77 6.826,78 59.622,79 7.006,80 1.239,81 1.185,82 23.799,83 8.04,84 139.886,85 8.278,86 0.808,87 1.098,88 17.72,89 7.321,90 79.529,91 7.93,92 1.008,93 1.042,94 21.2,95 7.238,96 109.586,97 8.953,98 0.899,99 0.866,100 22.248,101 6.623,102 88.955,103 7.579,104 38,105 46,106 0.33,107 0.682,108 0.772,109 0.829,110 0.841,111 0.841,112 3.376,113 0.82,114 -3.94,115 -3.89,116 -3.69,119 41.5,120 1,124 1,137 2,141 6,143 4,145 2,156 1,164 5,171 4,173 3,174 3,179 1,182 5,185 2,186 8,189 4,191 1,194 2,198 4,199 12,202 3,204 1,212 4,213 7,216 2,218 2,221 3,225 3,226 4,231 2,234 2,238 9,239 6,244 1,247 4,250 6,251 4,259 2,264 8,271 3,274 1100,275 18.604,276 18.604,277 18.604,278 18.604,279 18.604,280 15.967,281 24.053,282 10.626,283 18.986,284 15.232,285 15.232,286 15.232,287 15.232,288 15.232,289 11.28,290 36.74,291 4.959,292 15.898,293 3.442,294 1.397,295 0.873,296 0.543,297 0.476,298 0.476,299 4.063,302 1,305 1,306 1,307 577,308 3.082,311 136.868,312 160.407,315 115.255,319 1.464,320 39.806,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 63.333,332 266,333 4.723,334 3.866,335 7.054,336 4.319,337 3.355,338 4.684,339 2.612,340 11.999,341 3.227,342 4.572,343 3.824,344 6.927,345 4.209,346 3.248,347 3.978,348 1.058,349 11.625,350 3.112,351 4.037,352 3.234,353 6.104,354 3.553,355 2.6,356 3.653,357 0.657,358 8.687,359 2.486,360 3.927,361 2.861,362 5.992,363 3.454,364 2.498,365 3.44,366 0.4,367 8.233,368 2.369,369 3.564,370 2.752,371 5.458,372 3.107,373 2.167,374 2.973,376 6.554,377 2.018,378 3.3,379 2.506,380 5.266,381 2.926,382 1.951,383 2.586,385 6.011,386 1.888,387 3.25,388 2.364,389 4.862,390 2.78,391 1.808,392 2.4,394 4.96,395 1.741,396 3.098,397 1.9,398 4.607,399 2.59,400 1.635,401 2.184,403 4.272,404 1.52,405 2.682,406 1.517,407 3.786,408 2.226,409 1.233,410 1.723,412 2.856,413 1.221,414 2.595,415 1.262,416 3.605,417 2.1,418 1.112,419 1.617,421 2.627,422 1.096,423 2.5,424 1.007,425 3.438,426 2,427 1,428 1.5,430 2.136,431 1,432 2.19,433 1,434 3.298,435 1.667,436 0.756,437 1.057,439 1.969,440 0.657,441 1.671,442 1,443 3.247,444 1.343,445 0.373,446 0.441,448 0.957,449 0.356,450 1.365,451 0.943,452 2.921,453 0.93,454 -0.031,455 -0.037,457 -0.077,458 -0.028,459 1.187,460 0.533,461 2.889,462 0.861,463 -0.078,464 -0.104,466 -0.2,467 -0.068,468 12.948,469 0.462,470 0.861,471 0.031,472 40.25,473 1.438,474 21,475 0.75,476 19.25,477 0.688,478 21.222,479 0.758,480 29.652,481 0.723,482 32.964,483 1.177,484 8.17,485 0.292,486 5.227,487 0.187,488 0.21,490 0.44,493 0.446,494 1.147,495 0.507,496 0.85,497 0.491,498 0.802,499 0.624,500 1.339,501 0.529,502 0.894,503 0.438,504 0.764,505 0.763,506 1.119,507 0.826,508 0.993,509 0.672,510 0.914,511 0.859,512 1.085,513 0.837,514 1.096,515 0.835,516 1.048,517 1.162,518 0.835,519 0.919,520 0.845,521 1.508,522 0.921,523 0.801,524 1.083,525 0.86,526 1.157,527 0.921,528 1.13,529 0.511,530 0.948,531 0.742,532 1.054,533 0.66,534 1.031,535 0.997,536 0.775,537 1.227,538 0.974,539 1.106,540 1.042,541 5,542 0.094,543 3.778,544 3.542,545 2.157,546 1.317,547 0.9,548 0.629,549 0.355,550 0.201,551 8757,552 32525,553 2.051,554 31.7,556 9,559 1,561 3,564 1.716,565 1.867,566 3.201,567 -0.182,568 1,569 1,573 78.557,574 1.916,575 3.96,576 4.485,577 4.815,578 4.882,579 4.882,580 2.651,581 4.45,582 4.783,583 3.368,584 1272.96,585 8.346,586 16041.3,588 1,590 1,591 219.66,592 1.531,593 4.711,594 0.161,595 0.006,596 0.082,597 0.071,598 0.043,599 0.03,600 0.022,601 0.017,602 0.012,603 0.009,604 0.453,605 0.33,606 1,607 0.82,608 137.334,609 0.222,610 0.048,611 0.038,612 0.048,614 -0.005,615 0.077,616 -0.222,617 0.156,618 0.031,619 0.168,620 0.123,621 0.002,622 -0.006,623 0.001,624 -0.073,625 -0.009,626 -0.036,627 0.072,628 -0.04,629 0.027,630 -0.18,631 0.074,632 -0.147,633 -0.039,634 0.072,635 -0.002,636 0.136,637 -0.141,638 0.088,639 0.071,640 -0.123,641 0.085,642 -0.152,643 0.014,644 -0.104,645 0.433,646 -0.03,647 0.291,648 -0.054,649 0.357,650 0.04,651 0.032,652 0.099,653 -0.045,654 0.061,655 -0.07,656 0.055,657 2.626,658 6.025,659 0.714,660 21.449,661 1.043,662 1.132,663 2.706,664 7.325,665 0.701,666 3.466,667 3.85,668 4.205,669 4.533,670 4.71,671 4.812,672 4.927,673 5.043,674 5.118,675 5.142,676 5.769,677 0.705,678 400.81,679 3.466,680 5.043,681 5.938,682 6.858,683 7.769,684 8.695,685 9.612,686 10.539,687 11.46,688 12.388,689 14.6,692 1,694 1,696 1,699 2,700 1,706 2,707 6,708 2,710 1,712 4,714 16,725 1,726 1,732 1,733 41,735 20,736 2,737 31,739 44,740 17,741 12,742 6,743 6,744 3,747 4,748 5,749 1,753 1,762 15,763 2,766 4,768 1,771 3,775 3,779 1,782 13,783 9,784 1,785 11,786 1,791 6,795 1,796 0.75,797 4,815 2,816 2,819 1,835 2,845 3,850 2,851 1,854 28,864 1,868 2,877 1,878 9.8,881 1,883 1,884 2,885 15,886 8.31,887 6.056,888 2.278,890 3.493,891 1.457,892 0.99,893 4.607,894 11.132,895 3.784,896 4.451,897 5.073,898 5.706,899 6.185,900 6.535,901 6.913,902 7.273,903 7.475,904 7.705,905 1,906 50,907 10.328,909 4.598,910 8.147,911 18.698,913 15.23,915 2.647,916 74.111,919 1,920 141.253,921 100.356,922 68.878,923 39.149,924 85.853,927 100.356,928 266.255,929 68.878,930 22.892,931 3.002,932 56.857,933 92.567,934 29.022,936 141.253,937 89.896,938 141.253,939 169.234,940 85.853,941 39.149,943 105.94,944 70.419,945 50.747,947 19.117,948 81.729,949 107.536,951 141.253,952 154.73,953 139.505,956 141.253,957 26.277,958 85.753,959 18.011,960 164.195,961 141.253,962 154.73,963 139.505,965 0.596,966 0.372,967 0.214,968 0.11,969 24,970 12,971 0.091,972 4,973 1,974 1.1,975 3.745,976 260.923,977 0.1,978 20,979 128.606,985 18.528,986 6.962,987 2.982,988 -0.026,989 149.06,990 10.371,991 7.16,993 4.584,995 0.412,997 18.011,998 435.489,999 43,1001 -0.626,1004 36.272,1008 0.397,1011 42.778,1012 46.432,1013 0.358,1014 0.739,1015 0.837,1016 0.899,1017 0.911,1018 0.911,1019 5.05,1020 1.635,1021 5.964,1022 4.96,1023 4.533,1024 5.139,1025 2.749,1026 6.872,1027 4.448,1028 6.301,1029 1.233,1030 7.589,1031 4.272,1032 4.29,1033 5.121,1034 2.361,1035 7.966,1036 4.14,1037 7.649,1038 1.112,1039 9.318,1040 2.856,1041 6.217,1042 7.427,1043 4.2,1044 11.14,1045 6.049,1046 9.035,1047 1,1048 11.107,1049 2.627,1050 6.804,1051 8.236,1052 4.506,1053 13.062,1054 6.575,1055 10.454,1056 0.756,1057 12.932,1058 2.136,1059 8.237,1060 10.04,1061 5.956,1062 15.767,1063 7.986,1064 11.897,1065 0.373,1066 14.782,1067 1.969,1068 9.179,1069 11.225,1070 6.556,1071 18.018,1072 8.876,1073 13.359,1074 -0.031,1075 16.651,1076 0.957,1077 10.445,1078 12.845,1079 7.796,1080 20.569,1081 10.114,1082 3.355,1083 -0.078,1084 18.534,1085 -0.077,1086 11.536,1087 14.208,1088 8.548,1089 22.951,1090 11.158,1091 3.248,1092 11.999,1093 20.427,1094 -0.2,1095 12.749,1096 15.761,1097 9.67,1098 25.449,1099 12.337,1100 2.6,1101 11.625,1102 22.33,1103 4.684,1104 13.901,1105 17.21,1106 10.509,1107 27.884,1108 13.446,1109 2.498,1110 8.687,1111 24.239,1112 3.978,1113 15.098,1114 18.742,1115 11.563,1116 30.364,1117 14.607,1118 2.167,1119 8.233,1120 26.154,1121 3.653,1122 16.276,1123 20.233,1124 12.452,1125 32.821,1126 15.743,1127 1.951,1128 6.554,1129 28.074,1130 3.44,1131 17.47,1132 21.761,1133 13.468,1134 35.296,1135 16.899,1136 1.808,1137 6.011,1138 29.998,1139 2.973,1140 18.659,1141 23.274,1142 14.386,1143 37.762,1144 18.047,1145 8406,1146 16480,1147 20.115,1148 28.756,1149 48.151,1150 50.181,1151 50.126,1152 47.635,1153 47.472,1154 64.469,1155 9.456,1156 145.771,1157 45.382,1158 5.647,1159 5.866,1160 6.856,1161 5.377,1162 5.355,1163 7.684,1164 4.612,1165 19.545,1166 5.227,1167 16.002,1168 1.553,1169 1.619,1170 1.617,1171 1.537,1172 1.531,1173 2.08,1174 0.305,1175 4.702,1176 1.464,1177 4.117,1178 4.141,1179 4.17,1180 3.966,1181 7.815,1182 3.991,1183 3.96,1184 3.998,1185 3.926,1186 3.844,1187 7.428,1188 3.851,1189 3.753,1190 3.793,1191 3.697,1192 3.619,1193 6.999,1194 3.635,1195 3.57,1196 3.587,1197 3.657,1198 3.105,1199 5.397,1200 3.205,1201 3.294,1202 3.348,1203 3.436,1204 3.019,1205 4.788,1206 3.063,1207 3.128,1208 3.226,1209 3.106,1210 2.904,1211 4.757,1212 2.899,1213 3.103,1214 3.158,1215 2.964,1216 2.851,1217 4.496,1218 2.858,1219 2.854,1220 2.925,1221 2.864,1222 2.735,1223 4.188,1224 2.715,1225 0.152,1226 0.125,1227 0.228,1228 0.139,1229 0.108,1230 4.723,1231 0.151,1232 3.866,1233 0.084,1234 7.054,1235 0.387,1236 4.319,1237 0.104,1238 3.355,1239 4.684,1240 2.612,1241 11.999,1242 3.227,1243 1.93,1244 1.912,1245 2.006,1246 2.094,1247 1.124,1248 2.043,1249 1.885,1250 1.854,1251 1.948,1252 1.99,1253 1.072,1254 1.995,1255 1.607,1256 1.565,1257 1.785,1258 1.795,1259 0.919,1260 1.789,1261 1.32,1262 1.252,1263 1.58,1264 1.662,1265 0.64,1266 1.588,1267 1.225,1268 1.207,1269 1.312,1270 1.599,1271 0.363,1272 1.544,1273 1.037,1274 0.939,1275 1.225,1276 1.426,1277 0.218,1278 1.349,1279 0.934,1280 0.88,1281 1.181,1282 1.321,1283 0.212,1284 1.253,1285 0.886,1286 0.821,1287 1.118,1288 1.169,1289 0.132,1290 1.152,1291 4.143,1293 5.509,1294 3.045,1295 7.072,1296 5.476,1297 8.73,1298 7.636,1299 10.439,1301 3.452,1302 6.145,1309 2.854,1313 3.116,1318 28.922,1319 78.557,1320 162.375,1321 183.885,1322 197.395,1323 200.15,1324 200.15,1325 61.312,1326 7.639,1327 123.7,1328 123.7,1329 22,1330 12.892,1331 4.392,1332 3.7,1333 42.19,1334 98,1335 98,1336 0.216,1337 180.076,1338 310.49,1339 431.146,1340 20485,1341 2.4,1342 19.999,1343 0.714,1344 0.552,1345 20.499,1346 15.467,1347 13.397,1348 0.432,1349 0.273,1350 7.954,1351 12.289,1352 7.741,1353 6.421,1354 13.685,1355 8.478,1356 12.505,1357 0.272,1358 0.14,1359 12.876,1360 6.442,1361 11.002,1362 0.167,1363 0.072,1364 11.334,1365 4.75,1366 9.793,1367 0.106,1368 0.035,1369 10.151,1370 3.252,1371 7.355,1372 0.067,1373 0.019,1374 7.653,1375 2.044,1376 0.329,1377 89.471,1378 0.223,1379 26.049,1380 0.626,1381 154,1382 579.704,1383 191.835,1384 580.297,1385 776.16,1386 534,1387 189,1388 577.113,1389 226.711,1390 575.64,1391 840.19,1392 538,1393 5.222}
{0 CHEMBL1303810,1 2.109,2 8.75,3 2.957,4 8.745,5 81.307,6 15.647,7 0.286,8 3.445,9 3.499,10 3.639,11 3.111,12 4.753,13 3.101,14 3.912,15 3.991,16 4.119,17 3.475,18 5.31,19 3.443,20 4.101,21 4.188,22 4.791,23 3.606,24 5.585,25 3.543,26 4.042,27 4.122,28 4.186,29 3.267,30 5.688,31 3.268,32 3.755,33 3.864,34 3.661,35 3.02,36 5.178,37 3.001,38 3.641,39 3.743,40 3.662,41 3.004,42 5.235,43 2.972,44 3.552,45 3.677,46 3.805,47 3.039,48 5.022,49 3.006,50 3.498,51 3.587,52 3.94,53 3.092,54 5.103,55 3.018,56 0.189,57 0.345,58 7.417,59 1.738,60 14.836,61 1.614,62 0.458,63 0.535,64 14.197,65 3.367,66 30.549,67 2.604,68 0.54,69 0.592,70 54.654,71 5.707,72 46.349,73 4.142,74 0.784,75 0.496,76 23.331,77 5.346,78 77.487,79 3.55,80 0.511,81 0.4,82 25.58,83 4.385,84 51.311,85 3.151,86 0.439,87 0.366,88 25.595,89 3.757,90 53.451,91 2.764,92 0.312,93 0.363,94 13.234,95 2.935,96 30.506,97 2.439,98 0.319,99 0.311,100 12.484,101 2.825,102 31.746,103 2.171,104 26,105 29,106 0.411,107 0.728,108 0.826,109 0.898,110 0.913,111 0.913,112 3.057,113 1.042,114 -4.85,115 -4.76,116 -4.47,117 2,119 44.4,126 1,137 2,141 4,142 1,143 1,152 1,156 2,164 1,171 4,173 3,174 2,182 6,185 2,186 5,194 5,198 2,199 10,207 1,212 1,213 5,225 1,226 6,239 6,247 1,251 5,259 2,264 1,271 4,274 446,275 13.035,276 13.035,277 13.035,278 13.035,279 13.035,280 11.528,281 10.228,282 7.552,283 13.578,284 10.253,285 10.253,286 10.253,287 10.253,288 10.253,289 7.96,290 8.203,291 3.504,292 11.319,293 2.645,294 1.023,295 0.519,296 0.148,297 0.074,298 0.074,299 3.709,302 1,305 1,306 1,307 360,308 2.828,312 141.667,319 1.2,320 29.074,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 43.833,332 175,333 4.388,334 3.807,335 6.509,336 3.976,337 3.055,338 3.917,339 1.707,340 9.914,341 2.824,342 4.308,343 3.692,344 6.384,345 3.902,346 2.945,347 3.817,348 1.073,349 9.614,350 2.761,351 3.536,352 2.959,353 5.521,354 3.131,355 2.274,356 2.7,357 0.451,358 6.869,359 1.877,360 3.383,361 2.92,362 4.899,363 2.922,364 1.991,365 2.566,367 5.311,368 1.739,369 3.087,370 2.436,371 4.528,372 2.585,373 1.656,374 2.123,376 4.341,377 1.488,378 2.861,379 1.923,380 3.855,381 2.352,382 1.414,383 2.016,385 3.112,386 1.257,387 2.592,388 1.675,389 3.584,390 2.111,391 1.157,392 1.588,394 2.782,395 1.088,396 2.128,397 1.565,398 3.22,399 1.58,400 0.645,401 0.844,403 1.478,404 0.567,405 1.562,406 1.315,407 2.789,408 1.045,409 0.286,410 0.333,412 0.619,413 0.135,414 1.293,415 0.993,416 2.62,417 0.754,418 -0.063,419 -0.079,421 -0.143,422 -0.047,423 1.092,424 0.409,425 2.142,426 0.569,427 -0.299,428 -0.385,430 -0.638,431 -0.206,432 0.631,433 -0.034,434 2,435 0.14,436 -0.848,437 -1.056,439 -2.015,440 -0.601,441 0.202,442 -0.279,443 1.681,444 -0.12,445 -1,446 -1.244,448 -2.579,449 -0.82,451 -0.694,452 1.535,453 -0.312,454 -1.228,455 -1.552,457 -2.995,458 -0.923,460 -0.858,461 1.396,462 -0.579,463 -1.405,464 -1.617,466 -3.459,467 -1.141,468 11.181,469 0.559,470 0.583,471 0.029,472 24.5,473 1.225,474 12,475 0.6,476 12.5,477 0.625,478 17.88,479 0.894,480 20.019,481 0.741,482 14.752,483 0.738,484 4.732,485 0.237,486 4.771,487 0.239,488 0.362,490 0.304,493 0.692,494 1.115,495 0.481,496 0.621,497 0.576,498 0.675,499 0.825,500 0.965,501 0.62,502 0.55,503 0.666,504 0.664,505 0.906,506 1.154,507 0.794,508 0.986,509 0.889,510 0.955,511 1.326,512 1.108,513 0.799,514 1.135,515 1.559,516 1.162,517 1.506,518 1.033,519 0.861,520 1.01,521 1.413,522 1.069,523 1.045,524 1.1,525 0.974,526 1.154,527 0.998,528 1.143,529 0.827,530 0.922,531 0.639,532 0.678,533 1.011,534 0.639,535 0.821,536 0.758,537 0.908,538 0.795,539 0.963,540 0.751,541 4,542 0.037,543 3.333,544 1.75,545 1.027,546 0.465,547 0.345,548 0.278,549 0.189,550 0.132,551 3581,552 17988,553 1.938,554 25.9,556 4,557 2,558 1,564 1.615,565 1.765,566 3.115,567 -0.59,573 56.956,574 2.109,575 3.732,576 4.236,577 4.607,578 4.681,579 4.681,580 2.461,581 3.784,582 4.3,583 3.233,584 614.348,585 7.33,586 6398.94,588 1,590 1,591 128.382,592 1.559,593 4.219,594 0.19,595 0.007,596 0.115,597 0.056,598 0.045,599 0.027,600 0.02,601 0.015,602 0.011,603 0.012,604 0.5,605 0.17,606 1,607 0.716,608 89.077,609 -0.035,610 -0.063,611 -0.002,612 -0.032,613 -0.053,614 -0.035,615 0.023,616 0.116,617 -0.008,618 0.176,619 -0.009,620 0.087,621 0.025,622 -0.158,623 0.178,624 -0.044,625 -0.002,626 -0.041,627 0.025,628 -0.201,629 -0.043,630 -0.206,631 -0.093,632 -0.22,633 -0.301,634 -0.102,635 -0.095,636 -0.073,637 -0.23,638 -0.064,639 -0.013,640 -0.112,641 -0.142,642 -0.243,643 0.133,644 -0.192,645 0.009,646 0.139,647 0.063,648 0.149,649 -0.008,650 0.313,651 0.061,652 0.201,653 0.009,654 0.127,655 0.095,656 0.193,657 2.289,658 4.831,659 0.6,660 12.73,661 1.056,662 1.108,663 3.624,664 13.134,665 0.814,666 3.091,667 3.401,668 3.638,669 3.738,670 3.829,671 3.714,672 3.638,673 3.638,674 3.638,675 3.638,676 5.283,677 0.784,678 422.46,679 3.091,680 4.615,681 5.451,682 6.304,683 7.152,684 8.007,685 8.858,686 9.713,687 10.565,688 11.421,689 7.4,696 1,698 1,707 4,712 2,714 6,723 1,732 1,733 27,735 10,736 1,737 21,738 2,739 28,740 12,741 6,742 2,743 4,744 5,745 2,747 2,748 2,749 1,750 1,762 11,763 1,765 2,766 4,771 2,773 1,774 1,775 4,779 1,782 7,783 5,785 8,786 3,791 2,796 1,797 3,816 2,835 2,845 2,849 2,851 1,854 20,862 1,865 1,868 1,877 3,878 11.1,881 2,883 1,885 11.333,886 4.995,887 4.472,888 1.405,890 1.827,891 1.296,892 0.955,893 5.238,894 7.997,895 3.367,896 3.902,897 4.404,898 4.77,899 5.1,900 5.04,901 5.031,902 5.06,903 5.203,904 5.494,905 0.833,906 31,907 7.354,909 3.095,910 8.181,911 13.274,913 10.237,915 2.681,916 53.611,920 82.398,921 75.808,922 111.573,923 39.149,924 61.29,927 167.717,928 182.836,929 19.665,931 7.165,932 37.905,933 89.115,934 34.349,935 23.542,936 47.084,937 131.057,938 82.398,939 95.473,940 61.29,941 39.149,942 91.908,943 82.398,944 61.29,947 23.828,948 56.487,949 54.306,950 91.908,951 82.398,952 80.955,953 206.865,956 82.398,957 28.856,958 49.954,959 91.908,960 117.101,961 82.398,962 80.955,963 206.865,965 0.589,966 0.356,967 0.167,968 0.078,969 13,970 7,971 0.143,972 4,974 1,975 3.159,976 140.969,978 12,979 86.439,985 15.543,986 6.741,987 3.637,989 80.955,990 6.497,995 0.521,998 370.217,999 28,1004 23.643,1006 1.425,1007 3.844,1008 -0.202,1011 28.502,1012 29.913,1013 0.444,1014 0.785,1015 0.891,1016 0.969,1017 0.984,1018 0.984,1019 4.6,1020 0.645,1021 5.451,1022 2.782,1023 4.078,1024 4.585,1025 2.255,1026 6.252,1027 3.888,1028 5.812,1029 0.286,1030 7.027,1031 1.478,1032 3.761,1033 4.407,1035 7.186,1036 3.405,1037 7.122,1038 -0.063,1039 8.707,1040 0.619,1041 5.673,1042 6.702,1043 3.03,1044 10.256,1045 5.347,1046 8.467,1047 -0.299,1048 10.444,1049 -0.143,1050 6.155,1051 7.316,1053 11.972,1054 5.675,1055 9.842,1056 -0.848,1057 12.216,1058 -0.638,1059 7.569,1060 9.109,1061 3.98,1062 14.574,1063 7.108,1064 11.24,1065 -1,1066 14.012,1067 -2.015,1068 8.398,1069 10.088,1071 16.599,1072 7.812,1073 12.653,1074 -1.228,1075 15.823,1076 -2.579,1077 9.625,1078 11.668,1079 5.001,1080 19.026,1081 9.027,1082 3.055,1083 -1.405,1084 17.647,1085 -2.995,1086 10.607,1087 12.826,1089 21.187,1090 9.905,1091 2.945,1092 9.914,1093 19.479,1094 -3.459,1095 11.758,1096 14.303,1097 6.051,1098 23.538,1099 11.02,1100 2.274,1101 9.614,1102 21.318,1103 3.917,1104 12.807,1105 15.551,1107 25.76,1108 11.979,1109 1.991,1110 6.869,1111 23.162,1112 3.817,1113 13.93,1114 16.974,1115 7.112,1116 28.076,1117 13.049,1118 1.656,1119 5.311,1120 25.009,1121 2.7,1122 15.008,1123 18.27,1125 30.329,1126 14.044,1127 1.414,1128 4.341,1129 26.86,1130 2.566,1131 16.119,1132 19.664,1133 8.179,1134 32.628,1135 15.093,1136 1.157,1137 3.112,1138 28.714,1139 2.123,1140 17.211,1141 20.986,1143 34.895,1144 16.105,1145 3658,1146 8325,1147 13.235,1148 21.983,1149 31.691,1150 34.437,1151 32.863,1152 31.185,1153 30.845,1154 39.806,1155 6.461,1156 88.08,1157 27.47,1158 5.307,1159 5.807,1160 6.194,1161 5.056,1162 5.055,1163 6.917,1164 3.413,1165 17.043,1166 4.824,1167 11.937,1168 1.509,1169 1.64,1170 1.565,1171 1.485,1172 1.469,1173 1.896,1174 0.308,1175 4.194,1176 1.308,1177 3.93,1178 3.945,1179 6.934,1180 3.865,1181 7.434,1182 3.86,1183 3.821,1184 3.848,1185 6.823,1186 3.738,1187 7.427,1188 3.712,1189 3.374,1190 3.377,1191 4.019,1192 3.133,1193 4.92,1194 3.166,1195 3.043,1196 3.072,1197 3.643,1198 2.885,1199 4.752,1200 2.882,1201 2.939,1202 2.961,1203 3.332,1204 2.793,1205 4.37,1206 2.767,1207 2.878,1208 2.922,1209 3.24,1210 2.751,1211 4.318,1212 2.743,1213 2.609,1214 2.627,1215 2.858,1216 2.417,1217 3.963,1218 2.413,1219 2.448,1220 2.47,1221 2.762,1222 2.197,1223 3.59,1224 2.2,1225 0.209,1226 0.181,1227 0.31,1228 0.189,1229 0.145,1230 4.388,1231 0.187,1232 3.807,1233 0.081,1234 6.509,1235 0.472,1236 3.976,1237 0.134,1238 3.055,1239 3.917,1240 1.707,1241 9.914,1242 2.824,1243 1.891,1244 1.875,1245 1.976,1246 1.979,1247 1.068,1248 1.98,1249 1.708,1250 1.69,1251 1.701,1252 1.891,1253 0.861,1254 1.861,1255 1.238,1256 1.223,1257 1.384,1258 1.5,1259 0.59,1260 1.47,1261 0.971,1262 0.931,1263 1.17,1264 1.175,1265 0.229,1266 1.172,1267 0.867,1268 0.824,1269 1.06,1270 1.068,1271 0.145,1272 1.057,1273 0.8,1274 0.772,1275 0.89,1276 1.015,1278 1.024,1279 0.444,1280 0.433,1281 0.569,1282 0.693,1284 0.682,1285 0.296,1286 0.271,1287 0.3,1288 0.573,1290 0.572,1291 3.761,1293 5.069,1295 6.581,1297 8.182,1299 9.824,1300 6.27,1302 5.879,1307 -0.297,1310 5.012,1313 1.017,1318 21.172,1319 56.956,1320 100.772,1321 114.382,1322 124.382,1323 126.382,1324 126.382,1325 43.708,1326 6.17,1327 61.19,1328 61.19,1329 12,1330 11.975,1331 3.459,1332 3,1333 36.542,1334 65,1335 50,1336 0.285,1337 148.338,1338 264.2,1339 353.704,1340 3258,1341 11.1,1342 14.698,1343 0.735,1344 0.689,1345 17.198,1346 13.775,1347 9.503,1348 0.453,1349 0.347,1350 5.358,1351 7.818,1352 5.139,1353 4.216,1354 10.946,1355 7.296,1356 8.513,1357 0.294,1358 0.197,1359 10.292,1360 5.706,1361 7.365,1362 0.199,1363 0.124,1364 9.966,1365 4.583,1366 5.239,1367 0.128,1368 0.052,1369 6.498,1370 2.142,1371 3.671,1372 0.082,1373 0.028,1374 4.51,1375 1.259,1376 0.445,1377 80.028,1378 0.275,1379 19.964,1380 0.784,1381 100,1382 412.009,1383 259.589,1384 489.986,1385 614.92,1386 450,1387 116,1388 356.871,1389 249.935,1390 392.046,1391 575.1,1392 365,1393 4.303}
{0 CHEMBL1303914,1 1.571,2 9.727,3 2.708,4 7.334,5 84.097,6 8.176,7 0.5,8 3.701,9 3.798,10 3.346,11 3.268,12 4.925,13 3.271,14 4.171,15 4.3,16 3.684,17 3.61,18 5.399,19 3.604,20 4.359,21 4.516,22 3.731,23 3.67,24 5.638,25 3.654,26 4.367,27 4.546,28 3.592,29 3.609,30 5.701,31 3.569,32 4.326,33 4.529,34 3.572,35 3.546,36 5.598,37 3.517,38 4.232,39 4.408,40 3.449,41 3.391,42 5.604,43 3.387,44 3.975,45 4.125,46 3.229,47 3.206,48 5.352,49 3.184,50 3.818,51 3.99,52 2.996,53 3.146,54 5.041,55 3.056,56 0.07,57 0.499,58 5.93,59 3.137,60 5.259,61 3.583,62 0.24,63 0.773,64 11.113,65 4.908,66 13.888,67 5.736,68 0.297,69 0.91,70 14.602,71 5.946,72 30.203,73 7.107,74 0.373,75 0.897,76 15.896,77 6.074,78 59.746,79 7.294,80 0.248,81 0.857,82 16.021,83 6.005,84 30.58,85 7.543,86 0.343,87 0.739,88 14.751,89 5.157,90 53.339,91 5.685,92 0.381,93 0.557,94 10.913,95 4.102,96 47.104,97 4.471,98 0.241,99 0.498,100 8.807,101 3.948,102 25.404,103 4.984,104 11,105 33,106 0.283,107 0.578,108 0.701,109 0.813,110 0.827,111 0.827,112 3.147,113 0.844,114 -4.13,115 -4.08,116 -3.86,119 47.2,124 1,134 1,135 1,141 9,142 1,143 2,156 2,167 1,171 10,173 2,174 6,179 2,182 11,186 8,189 2,191 4,194 8,198 1,199 8,204 2,207 2,213 12,218 2,221 4,226 7,231 2,234 6,238 2,239 2,247 8,250 1,254 1,259 9,271 6,274 616,275 15.008,276 15.008,277 15.008,278 15.008,279 15.008,280 13.191,281 13.941,282 8.869,283 15.246,284 11.766,285 11.766,286 11.766,287 11.766,288 11.766,289 8.912,290 13.093,291 4.142,292 12.022,293 3.598,294 1.958,295 1.279,296 0.653,297 0.577,298 0.577,299 3.826,304 1,305 1,306 1,307 457,308 2.345,311 61.709,312 147.44,319 1.636,320 24.723,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 48,332 214,333 4.511,334 3.883,335 6.776,336 4.207,337 3.215,338 3.995,339 1.2,340 11.038,341 3.183,342 4.013,343 3.246,344 5.972,345 3.646,346 2.669,347 3.516,348 0.86,349 8.385,350 2.605,351 3.865,352 2.864,353 5.342,354 3.437,355 2.464,356 3.398,357 0.8,358 6.92,359 2.397,360 3.561,361 2.631,362 5.269,363 3.207,364 2.24,365 2.82,367 6.619,368 2.153,369 3.184,370 2.459,371 4.864,372 2.752,373 1.702,374 2.282,376 4.862,377 1.766,378 2.941,379 1.705,380 4.38,381 2.506,382 1.517,383 2.101,385 3.94,386 1.497,387 2.715,388 1.395,389 3.618,390 2.216,391 1.236,392 1.683,394 2.999,395 1.208,396 2.5,397 1.342,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 2.5,406 1,407 3.247,408 2,409 1,410 1.5,412 2.136,413 1,414 1.877,415 1,416 3.101,417 1.456,418 0.531,419 0.607,421 0.958,422 0.475,423 1.65,424 0.962,425 2.773,426 1.264,427 0.26,428 0.356,430 0.549,431 0.261,432 0.934,433 0.113,434 2.445,435 0.555,436 -0.424,437 -0.524,439 -0.913,440 -0.409,441 0.905,442 -0.033,443 2.269,444 0.498,445 -0.517,446 -0.732,448 -1.128,449 -0.518,450 0.523,451 -0.275,452 2,453 0.135,454 -0.909,455 -1.169,457 -2.228,458 -0.934,459 0.5,460 -0.934,461 1.868,463 -1,464 -1.5,466 -2.347,467 -1,468 10.3,469 0.468,470 0.486,471 0.022,472 31.25,473 1.42,474 17.5,475 0.795,476 13.75,477 0.625,478 13.09,479 0.595,480 22.7,481 0.631,482 22.736,483 1.033,484 6.621,485 0.301,486 4.065,487 0.185,488 0.113,490 0.33,493 0.665,494 1.059,495 0.686,496 0.974,497 0.551,498 0.858,499 0.852,500 1.12,501 0.819,502 0.945,503 0.632,504 0.89,505 0.956,506 1.191,507 0.937,508 1.085,509 0.923,510 1.02,511 1.059,512 1.106,513 1.07,514 1.044,515 1.034,516 1.049,517 0.989,518 1.02,519 0.833,520 0.953,521 1.08,522 0.867,523 1.673,524 0.92,525 1.115,526 0.899,527 2.018,528 0.884,529 1.447,530 0.835,531 1.182,532 0.912,533 1.795,534 0.983,535 0.516,536 1.034,537 1.061,538 1.175,539 0.766,540 1.238,541 4,542 0.049,543 2.444,544 1.701,545 1.303,546 0.82,547 0.422,548 0.308,549 0.081,550 0.063,551 4921,552 14620,553 2.07,554 38.9,556 13,559 1,564 1.645,565 1.941,566 3.239,567 -0.31,568 1,569 1,571 1,573 56.573,574 1.571,575 3.211,576 3.891,577 4.517,578 4.593,579 4.593,580 2.777,581 3.914,582 4.425,583 3.369,584 778.15,585 7.605,586 8449.32,587 1,588 1,589 1,590 1,591 186.117,592 1.395,593 4.392,594 0.167,595 0.007,596 0.074,597 0.052,598 0.047,599 0.029,600 0.018,601 0.016,602 0.005,603 0.006,604 0.42,605 0.5,606 1,607 0.797,608 101.023,609 0.008,610 0.031,611 0.045,612 -0.02,613 -0.063,614 0.009,615 0.032,616 -0.061,617 0.014,618 0.001,619 -0.006,620 -0.006,621 0.013,622 -0.16,623 -0.03,624 -0.144,625 0.004,626 -0.11,627 -0.037,628 -0.104,629 -0.11,630 -0.094,631 0.074,632 -0.109,633 -0.052,634 -0.035,635 0.164,636 0.011,637 0.05,638 0.117,639 -0.287,640 0.049,641 -0.081,642 0.047,643 -0.226,644 0.038,645 -0.025,646 0.114,647 -0.188,648 0.05,649 -0.189,650 -0.076,651 0.273,652 -0.102,653 -0.146,654 -0.169,655 0.054,656 -0.24,657 2.056,658 5.418,659 0.773,660 18.273,661 1.014,662 1.114,663 2.902,664 8.422,665 0.693,666 3.219,667 3.526,668 3.807,669 4.043,670 4.234,671 4.234,672 4.344,673 4.419,674 4.443,675 4.344,676 5.565,677 0.676,678 294.33,679 3.219,680 4.745,681 5.595,682 6.466,683 7.336,684 8.216,685 9.096,686 9.981,687 10.867,688 11.756,689 5.6,694 1,696 1,707 9,712 3,714 12,730 1,733 36,735 15,736 2,737 24,739 38,740 17,741 12,742 3,743 9,744 4,747 3,748 3,762 16,763 1,766 3,771 2,773 1,775 3,778 1,779 1,782 14,783 5,784 1,785 5,791 2,795 1,796 1,797 3,815 1,816 2,835 1,836 1,845 3,850 1,854 22,864 1,865 1,868 1,878 8.3,881 2,883 1,885 11.333,886 6.783,887 4.944,888 1.963,890 2.404,891 1.355,892 0.987,893 3.94,894 9.17,895 3.526,896 4.078,897 4.635,898 5.127,899 5.622,900 5.675,901 6.011,902 6.305,903 6.529,904 6.595,905 0.857,906 33,907 8.117,909 3.464,910 7.955,911 15.056,913 11.992,915 2.455,916 54,920 153.024,921 129.426,922 20.89,924 61.29,927 129.426,928 214.314,929 20.89,930 10.883,931 3.002,932 94.762,933 77.587,934 25.371,936 153.024,938 153.024,939 150.316,940 61.29,943 153.024,944 61.29,947 3.002,948 119.95,949 27.364,951 153.024,952 82.18,953 129.426,956 153.024,957 23.781,958 108.647,959 17.888,960 61.29,961 153.024,962 82.18,963 129.426,965 0.575,966 0.345,967 0.183,968 0.099,969 16,970 7,971 0.105,972 4,974 1,975 3.444,976 170.359,978 17,979 90.107,985 14.357,986 6.038,987 2.903,989 82.18,990 16.084,995 2.047,997 17.888,998 364.63,999 33,1004 24.456,1006 1.333,1008 -0.408,1011 36.487,1012 40.116,1013 0.304,1014 0.621,1015 0.753,1016 0.874,1017 0.888,1018 0.888,1019 4.745,1020 1,1021 5.572,1022 2.999,1023 4.205,1024 4.762,1025 1.893,1026 6.378,1027 4.172,1028 5.941,1029 1,1030 7.13,1031 2.275,1032 3.761,1033 4.425,1035 7.281,1036 3.714,1037 7.238,1038 0.531,1039 8.79,1040 2.136,1041 5.79,1042 6.877,1043 1.955,1044 10.394,1045 5.722,1046 8.569,1047 0.26,1048 10.512,1049 0.958,1050 6.196,1051 7.334,1053 12.159,1054 6.113,1055 9.933,1056 -0.424,1057 12.273,1058 0.549,1059 7.681,1060 9.25,1061 2.117,1062 14.795,1063 7.586,1064 11.321,1065 -0.517,1066 14.063,1067 -0.913,1068 8.483,1069 10.092,1071 16.922,1072 8.376,1073 12.726,1074 -0.909,1075 15.875,1076 -1.128,1077 9.754,1078 11.76,1079 2.355,1080 19.402,1081 9.639,1082 3.215,1083 -1,1084 17.704,1085 -2.228,1086 10.744,1087 12.814,1089 21.684,1090 10.621,1091 2.669,1092 11.038,1093 19.546,1094 -2.347,1095 11.933,1096 14.35,1097 2.642,1098 24.11,1099 11.803,1100 2.464,1101 8.385,1102 21.399,1103 3.995,1104 13.012,1105 15.528,1107 26.458,1108 12.875,1109 2.24,1110 6.92,1111 23.262,1112 3.516,1113 14.175,1114 16.99,1115 2.96,1116 28.866,1117 14.031,1118 1.702,1119 6.619,1120 25.132,1121 3.398,1122 15.297,1123 18.244,1125 31.243,1126 15.146,1127 1.517,1128 4.862,1129 27.009,1130 2.82,1131 16.453,1132 19.666,1133 3.296,1134 33.645,1135 16.295,1136 1.236,1137 3.94,1138 28.892,1139 2.282,1140 17.595,1141 20.967,1143 36.035,1144 17.43,1145 4818,1146 8420,1147 16.008,1148 24.943,1149 36.379,1150 37.897,1151 37.011,1152 35.657,1153 35.67,1154 47.516,1155 5.72,1156 101.361,1157 35.092,1158 5.407,1159 5.883,1160 6.578,1161 5.207,1162 5.215,1163 6.995,1164 2.4,1165 18.35,1166 5.183,1167 9.897,1168 1.516,1169 1.579,1170 1.542,1171 1.486,1172 1.486,1173 1.98,1174 0.238,1175 4.223,1176 1.462,1177 4.007,1178 4.031,1179 3.97,1180 3.916,1181 7.448,1182 3.923,1183 3.88,1184 3.911,1185 3.813,1186 3.812,1187 7.408,1188 3.807,1189 3.708,1190 3.729,1191 3.664,1192 3.549,1193 4.872,1194 3.575,1195 3.241,1196 3.307,1197 3.087,1198 2.962,1199 4.777,1200 2.98,1201 3.02,1202 3.103,1203 2.896,1204 2.82,1205 4.417,1206 2.826,1207 2.869,1208 2.925,1209 2.845,1210 2.735,1211 4.143,1212 2.715,1213 2.854,1214 2.925,1215 2.687,1216 2.735,1217 3.869,1218 2.715,1219 2.854,1220 2.84,1221 2.687,1222 2.617,1223 3.674,1224 2.642,1225 0.188,1226 0.162,1227 0.282,1228 0.175,1229 0.134,1230 4.511,1231 0.166,1232 3.883,1233 0.05,1234 6.776,1235 0.46,1236 4.207,1237 0.133,1238 3.215,1239 3.995,1240 1.2,1241 11.038,1242 3.183,1243 1.913,1244 1.896,1245 2.01,1246 1.999,1247 1.114,1248 2.002,1249 1.883,1250 1.851,1251 2.006,1252 1.986,1253 1.06,1254 1.993,1255 1.439,1256 1.427,1257 1.599,1258 1.635,1259 0.634,1260 1.599,1261 1.299,1262 1.265,1263 1.494,1264 1.606,1265 0.542,1266 1.561,1267 1.155,1268 1.076,1269 1.363,1270 1.44,1271 0.348,1272 1.454,1273 0.886,1274 0.821,1275 1.181,1276 1.09,1277 0.218,1278 1.107,1279 0.886,1280 0.821,1281 1.181,1282 1.062,1283 0.218,1284 1.107,1285 0.864,1286 0.816,1287 1.06,1288 1.062,1289 0.092,1290 1.081,1291 3.892,1293 5.198,1294 2.398,1295 6.706,1296 4.844,1297 8.295,1298 7.002,1299 9.928,1301 1.573,1309 2.82,1310 5.086,1313 1.009,1318 24.348,1319 56.573,1320 115.614,1321 140.078,1322 162.608,1323 165.362,1324 165.362,1325 38.494,1326 6.766,1327 60.33,1328 60.33,1329 17,1330 12.286,1331 4,1332 3.322,1333 34.484,1334 73,1335 80,1336 0.238,1337 150.891,1338 268.39,1339 359.934,1340 6860,1342 15.527,1343 0.706,1344 0.543,1345 15.527,1346 11.945,1347 10.686,1348 0.445,1349 0.281,1350 6.643,1351 10.248,1352 6.484,1353 5.413,1354 10.686,1355 6.751,1356 9.329,1357 0.283,1358 0.144,1359 9.329,1360 4.743,1361 8.13,1362 0.185,1363 0.076,1364 8.13,1365 3.337,1366 6.556,1367 0.117,1368 0.039,1369 6.556,1370 2.195,1371 5.183,1372 0.076,1373 0.02,1374 5.183,1375 1.392,1376 0.368,1377 67.331,1378 0.25,1379 21.705,1380 0.667,1381 114,1382 377.185,1383 126.109,1384 360.384,1385 487.1,1386 336,1387 134,1388 354.678,1389 146.694,1390 358.734,1391 522.29,1392 336,1393 4.303}
{0 CHEMBL1305960,1 2.114,2 12.028,3 5.707,4 32.569,5 124.792,6 10.499,7 0.474,8 4.089,9 4.161,10 4.022,11 3.658,12 5.416,13 3.669,14 4.625,15 4.726,16 4.43,17 4.033,18 6.488,19 4.043,20 4.858,21 4.987,22 4.513,23 4.194,24 6.335,25 4.174,26 5.014,27 5.163,28 4.56,29 4.154,30 6.572,31 4.166,32 4.947,33 5.099,34 4.576,35 4.119,36 6.577,37 4.137,38 4.959,39 5.079,40 4.591,41 4.128,42 6.704,43 4.166,44 5.01,45 5.17,46 4.477,47 4.115,48 6.807,49 4.149,50 4.919,51 5.07,52 4.495,53 4.111,54 6.696,55 4.123,56 0.436,57 1.046,58 5.579,59 5.015,60 85.157,61 4.149,62 1.356,63 1.963,64 10.116,65 8.337,66 241.13,67 7.123,68 1.306,69 1.893,70 23.178,71 11.806,72 215.293,73 10.14,74 2.032,75 1.963,76 35.491,77 12.9,78 362.181,79 10.116,80 1.785,81 1.813,82 32.323,83 11.742,84 320.135,85 10.318,86 1.928,87 1.936,88 29.289,89 12.167,90 391.685,91 9.602,92 2.404,93 2.027,94 26.572,95 11.821,96 460.507,97 10.229,98 1.876,99 1.905,100 27.448,101 11.474,102 313.548,103 10.842,104 105,105 56,106 0.347,107 0.624,108 0.742,109 0.862,110 0.871,111 0.871,112 3.616,113 0.928,114 -5.49,115 -5.37,116 -5.01,119 42.3,125 2,132 1,141 11,142 2,143 5,156 1,164 2,171 9,173 4,174 3,177 1,179 1,182 10,185 1,186 12,189 1,191 2,194 7,199 14,204 2,212 5,213 11,216 2,218 2,221 4,225 6,226 13,231 4,234 6,239 8,244 2,247 6,250 1,251 10,254 1,259 11,263 2,264 10,267 2,269 1,271 16,274 2920,275 22.744,276 22.744,277 22.744,278 22.744,279 22.744,280 19.832,281 26.546,282 12.968,283 23.445,284 18.688,285 18.688,286 18.688,287 18.688,288 18.688,289 14.222,290 32.413,291 6.122,292 19.983,293 3.586,294 1.901,295 1.184,296 0.452,297 0.399,298 0.399,299 4.286,302 1,307 895,308 5.244,312 430.437,319 1.642,320 98.649,323 0.5,324 0.83,325 0.83,326 0.3,328 0.83,329 1,330 0.61,331 84.833,332 433,333 4.962,334 4.733,335 7.727,336 4.484,337 3.558,338 4.788,339 3.825,340 13.937,341 3.274,342 4.452,343 4.46,344 7.116,345 4.172,346 3.313,347 4.061,348 2.612,349 11.69,350 2.88,351 4.353,352 3.814,353 6.368,354 3.863,355 2.925,356 3.858,357 1.957,358 9.531,359 2.722,360 4.017,361 3.602,362 6.025,363 3.614,364 2.635,365 3.615,366 0.589,367 8.284,368 2.578,369 3.854,370 2.95,371 5.425,372 3.468,373 2.526,374 3.155,375 0.42,376 7.189,377 2.363,378 3.619,379 2.934,380 5.09,381 3.269,382 2.288,383 2.945,385 6.145,386 2.212,387 3.528,388 2.843,389 4.962,390 3.004,391 2.046,392 2.833,394 5.649,395 1.931,396 3.388,397 2.58,398 4.849,399 2.871,400 1.92,401 2.655,403 5.23,404 1.816,405 3.114,406 2.11,407 4.698,408 2.647,409 1.73,410 2.316,412 4.746,413 1.525,414 2.925,415 1.684,416 4.531,417 2.416,418 1.469,419 2.054,421 4.334,422 1.343,423 2.607,424 1.412,425 3.896,426 2.097,427 1.122,428 1.603,430 2.693,431 1.081,432 2.573,433 1.276,434 3.605,435 2,436 1,437 1.595,439 2.423,440 1,441 2.5,442 1.248,443 3.475,444 2,445 1,446 1.5,448 2.312,449 1,450 2.129,451 1.105,452 3.414,453 1.822,454 0.878,455 1.032,457 2.275,458 0.823,459 1.831,460 1,461 3.167,462 1.509,463 0.533,464 0.647,466 1.277,467 0.512,468 16.557,469 0.46,470 1.387,471 0.039,472 48.75,473 1.354,474 26,475 0.722,476 22.75,477 0.632,478 29.819,479 0.828,480 40.443,481 0.778,482 50.019,483 1.389,484 10.005,485 0.278,486 6.779,487 0.188,488 0.213,489 0.081,490 0.29,491 3,492 1,493 0.497,494 0.963,495 0.621,496 1.085,497 0.609,498 0.863,499 0.483,500 0.806,501 0.662,502 0.884,503 0.462,504 0.929,505 0.8,506 0.983,507 1.125,508 1.247,509 0.74,510 1.146,511 1.155,512 0.963,513 1.234,514 1.158,515 1.143,516 1.069,517 0.808,518 0.696,519 0.761,520 0.905,521 0.919,522 0.85,523 0.871,524 0.909,525 0.942,526 1.173,527 0.998,528 1.089,529 1.003,530 0.953,531 0.801,532 0.772,533 0.98,534 0.937,535 0.747,536 0.846,537 0.941,538 0.961,539 0.72,540 0.993,541 11,542 0.487,543 5.778,544 3.188,545 2.756,546 1.979,547 1.12,548 1.063,549 0.69,550 0.429,551 16784,552 81304,553 1.919,554 30.8,556 15,559 1,564 1.783,565 1.728,566 3.489,567 -0.217,573 109.951,574 2.114,575 3.799,576 4.517,577 5.248,578 5.301,579 5.301,580 2.905,581 4.628,582 5.137,583 3.703,584 2332.68,585 9.082,586 36801,591 296.423,592 1.788,593 5.043,594 0.289,595 0.011,596 0.103,597 0.054,598 0.048,599 0.033,600 0.019,601 0.018,602 0.012,603 0.008,604 0.596,605 0.17,606 0.75,607 0.889,608 194.171,609 0.064,610 -0.037,611 0.097,612 -0.037,613 -0.065,614 0.013,615 0.292,616 0.192,617 0.074,618 0.074,619 0.297,620 -0.051,621 -0.084,622 -0.135,623 -0.112,624 -0.159,625 -0.029,626 -0.143,627 -0.234,628 -0.109,629 -0.126,630 -0.094,631 -0.189,632 -0.053,633 0.029,634 0.076,635 0.175,636 0.097,637 -0.03,638 0.151,639 0.029,640 -0.089,641 -0.007,642 -0.17,643 -0.033,644 -0.129,645 -0.008,646 -0.005,647 0.011,648 0.103,649 0.032,650 0.04,651 0.123,652 0.016,653 0.031,654 -0.011,655 0.142,656 0.016,657 6.06,658 6.384,659 0.5,660 40.84,661 1.064,662 1.144,663 4.262,664 18.164,665 0.7,666 3.664,667 4.043,668 4.234,669 4.419,670 4.663,671 4.7,672 4.771,673 4.82,674 4.82,675 4.828,676 7.279,677 0.71,678 545.93,679 3.664,680 5.242,681 6.08,682 6.974,683 7.84,684 8.735,685 9.611,686 10.509,687 11.393,688 12.292,689 5.8,695 1,696 1,700 1,707 11,712 7,714 18,726 1,732 2,733 52,735 23,736 3,737 38,739 54,740 22,741 18,742 7,743 11,747 3,748 3,749 1,753 1,759 1,762 19,763 3,766 5,768 1,769 1,771 5,775 1,780 4,782 16,783 11,784 1,785 14,786 2,791 3,796 1,797 5,816 3,829 1,845 3,848 1,851 1,852 4,854 36,858 1,862 2,864 1,868 1,869 1,877 5,878 9.6,881 3,884 2,885 20.833,886 9.281,887 7.667,888 2.736,890 2.339,891 1.317,892 0.972,893 8.247,894 9.711,895 3.97,896 4.61,897 5.067,898 5.558,899 6.094,900 6.268,901 6.473,902 6.639,903 6.757,904 6.957,905 0.875,906 59,907 14.853,909 7.947,910 8.781,911 23.391,913 19.078,915 3.281,916 118.111,920 176.567,921 152.779,922 25.199,923 39.149,924 120.205,925 59.84,926 5.807,927 146.971,928 335.92,929 85.04,930 5.67,931 22.222,932 110.046,933 74.163,934 72.456,935 14.96,936 176.567,937 97.655,938 176.567,939 172.171,940 180.045,941 44.956,943 191.527,944 114.338,945 50.747,947 29.982,948 136.519,949 50.626,951 236.407,952 145.404,953 191.927,955 5.807,956 184.326,957 34.973,958 111.427,959 18.011,960 219.194,961 176.567,962 205.245,963 191.927,965 0.604,966 0.335,967 0.16,968 0.093,969 25,970 14,971 0.148,972 8,974 1,975 4.292,976 343.102,978 18,979 173.362,984 1,985 27.406,986 10.832,987 6.741,989 199.575,990 10.842,995 -3.477,997 18.011,998 573.739,999 52,1001 -0.925,1002 -4.78,1004 61.811,1008 -0.899,1011 55.345,1012 59.502,1013 0.371,1014 0.666,1015 0.792,1016 0.921,1017 0.93,1018 0.93,1019 5.239,1020 1.92,1021 6.151,1022 5.649,1023 4.727,1024 5.298,1025 3.676,1026 7.04,1027 4.597,1028 6.51,1029 1.73,1030 7.783,1031 5.23,1032 4.691,1033 5.453,1034 4.144,1035 8.397,1036 4.392,1037 7.877,1038 1.469,1039 9.535,1040 4.746,1041 6.475,1042 7.595,1043 5.732,1044 11.427,1045 6.186,1046 9.282,1047 1.122,1048 11.36,1049 4.334,1050 7.194,1051 8.503,1052 6.819,1053 13.593,1054 6.723,1055 10.719,1056 1,1057 13.235,1058 2.693,1059 8.579,1060 10.236,1061 8.191,1062 16.295,1063 8.091,1064 12.181,1065 1,1066 15.145,1067 2.423,1068 9.601,1069 11.475,1070 9.453,1071 18.745,1072 8.953,1073 13.663,1074 0.878,1075 17.08,1076 2.312,1077 10.869,1078 13.072,1079 10.791,1080 21.371,1081 10.168,1082 3.558,1083 0.533,1084 19.035,1085 2.275,1086 12.016,1087 14.466,1088 12.105,1089 23.923,1090 11.182,1091 3.313,1092 13.937,1093 21.005,1094 1.277,1095 13.252,1096 16.019,1097 13.441,1098 26.536,1099 12.346,1100 2.925,1101 11.69,1102 22.987,1103 4.788,1104 14.453,1105 17.491,1106 14.773,1107 29.128,1108 13.434,1109 2.635,1110 9.531,1111 24.979,1112 4.061,1113 15.686,1114 19.033,1115 16.111,1116 31.742,1117 14.585,1118 2.526,1119 8.284,1120 26.978,1121 3.858,1122 16.911,1123 20.544,1124 17.448,1125 34.352,1126 15.71,1127 2.288,1128 7.189,1129 28.983,1130 3.615,1131 18.148,1132 22.088,1133 18.788,1134 36.971,1135 16.863,1136 2.046,1137 6.145,1138 30.993,1139 3.155,1140 19.385,1141 23.62,1142 20.128,1143 39.59,1144 18.009,1145 16732,1146 37067,1147 23.463,1148 36.398,1149 58.651,1150 60.109,1151 60.282,1152 58.366,1153 57.884,1154 77.314,1155 18.806,1156 175.425,1157 54.118,1158 5.9,1159 6.733,1160 7.269,1161 5.555,1162 5.558,1163 7.788,1164 5.825,1165 22.275,1166 5.274,1167 25.318,1168 1.543,1169 1.582,1170 1.586,1171 1.536,1172 1.523,1173 2.035,1174 0.495,1175 4.616,1176 1.424,1177 4.131,1178 4.119,1179 4.745,1180 4.096,1181 8.513,1182 4.024,1183 3.935,1184 3.962,1185 4.014,1186 3.853,1187 8.201,1188 3.851,1189 3.912,1190 3.94,1191 3.888,1192 3.832,1193 7.999,1194 3.833,1195 3.752,1196 3.743,1197 3.853,1198 3.603,1199 7.999,1200 3.558,1201 3.548,1202 3.575,1203 3.514,1204 3.305,1205 7.815,1206 3.323,1207 3.383,1208 3.407,1209 3.503,1210 3.027,1211 7.715,1212 3.093,1213 3.295,1214 3.325,1215 3.323,1216 2.987,1217 7.428,1218 3.046,1219 3.131,1220 3.178,1221 3.131,1222 2.949,1223 6.999,1224 2.955,1225 0.131,1226 0.125,1227 0.203,1228 0.118,1229 0.094,1230 4.962,1231 0.126,1232 4.733,1233 0.101,1234 7.727,1235 0.367,1236 4.484,1237 0.086,1238 3.558,1239 4.788,1240 3.825,1241 13.937,1242 3.274,1243 1.994,1244 2.001,1245 2.02,1246 2.103,1247 1.231,1248 2.107,1249 1.903,1250 1.876,1251 2.002,1252 2.018,1253 1.144,1254 2.011,1255 1.884,1256 1.862,1257 1.943,1258 1.995,1259 1.086,1260 1.986,1261 1.563,1262 1.561,1263 1.671,1264 1.799,1265 0.852,1266 1.775,1267 1.368,1268 1.36,1269 1.427,1270 1.681,1271 0.636,1272 1.63,1273 1.163,1274 1.124,1275 1.275,1276 1.497,1277 0.431,1278 1.462,1279 1.08,1280 1.053,1281 1.205,1282 1.396,1283 0.264,1284 1.321,1285 1.064,1286 1.022,1287 1.181,1288 1.28,1289 0.218,1290 1.3,1291 4.344,1293 5.707,1295 7.251,1297 8.875,1299 10.543,1302 5.74,1303 52.885,1307 -1.08,1309 2.407,1313 0.398,1314 -4.81,1318 36.927,1319 109.951,1320 197.56,1321 234.859,1322 272.913,1323 275.668,1324 275.668,1325 170.064,1326 7.372,1327 112.3,1328 120.68,1329 18,1330 12.818,1331 4.585,1332 3.907,1333 73.113,1334 144,1335 204,1336 0.228,1337 232.041,1338 425.29,1339 557.94,1340 14009,1341 9.6,1342 26.673,1343 0.741,1344 0.544,1345 24.053,1346 19.571,1347 16.785,1348 0.442,1349 0.309,1350 9.864,1351 14.729,1352 9.61,1353 7.866,1354 16.257,1355 11.757,1356 16.857,1357 0.301,1358 0.171,1359 15.948,1360 9.603,1361 12.49,1362 0.184,1363 0.102,1364 12.787,1365 6.943,1366 9.437,1367 0.115,1368 0.057,1369 10.337,1370 4.682,1371 7.847,1372 0.075,1373 0.033,1374 8.511,1375 3.444,1376 0.352,1377 119.332,1378 0.206,1379 32.562,1380 0.644,1381 188,1382 959.809,1383 281.422,1384 857.143,1385 1077.43,1386 778,1387 218,1388 688.625,1389 309.494,1390 709.622,1391 1048.58,1392 661,1393 4.303}
{0 CHEMBL1306565,1 1.679,2 10.447,3 1.8,4 3.238,5 149.766,6 8.112,7 0.293,8 4.333,9 4.414,10 4.175,11 3.909,12 5.383,13 3.86,14 4.892,15 5.036,16 4.425,17 4.281,18 6.401,19 4.239,20 5.12,21 5.297,22 4.533,23 4.499,24 6.243,25 4.437,26 5.24,27 5.383,28 4.646,29 4.646,30 6.423,31 4.557,32 5.424,33 5.62,34 4.752,35 4.712,36 6.476,37 4.605,38 5.455,39 5.647,40 4.741,41 4.629,42 6.928,43 4.549,44 5.276,45 5.437,46 4.568,47 4.494,48 6.56,49 4.427,50 5.139,51 5.295,52 4.521,53 4.444,54 6.35,55 4.371,56 0.219,57 0.983,58 19.514,59 7.711,60 41.664,61 8.218,62 0.874,63 1.583,64 29.736,65 11.709,66 168.691,67 14.066,68 0.592,69 1.989,70 39.68,71 15.173,72 65.498,73 18.106,74 0.61,75 2.188,76 43.308,77 18.739,78 82.897,79 21.454,80 0.736,81 2.538,82 58.601,83 22.529,84 120.101,85 27.189,86 1.676,87 2.46,88 61.638,89 21.77,90 306.49,91 25.917,92 1.223,93 2.102,94 49.51,95 17.557,96 141.207,97 19.442,98 0.645,99 1.978,100 40.569,101 15.326,102 95.19,103 17.809,104 141,105 62,106 0.261,107 0.564,108 0.691,109 0.768,110 0.813,111 0.817,112 3.669,113 1.122,114 -3.75,115 -3.71,116 -3.53,119 39.1,120 4,125 4,134 3,135 2,137 1,141 6,142 2,143 4,154 1,165 4,169 2,171 9,173 2,174 8,177 4,182 15,183 4,184 4,186 12,191 4,194 15,195 3,197 1,198 1,199 10,201 1,204 3,207 26,208 4,209 1,210 1,213 10,214 4,218 4,219 2,221 16,222 3,223 1,225 4,226 15,227 1,229 4,230 1,231 3,234 15,235 6,236 3,238 2,239 14,242 1,244 6,247 4,248 2,249 2,251 7,252 2,253 1,256 2,259 12,260 4,261 3,262 1,263 4,264 8,266 2,267 2,269 4,270 1,271 8,274 2912,275 24.872,276 24.872,277 24.872,278 24.872,279 24.872,280 22.103,281 30.613,282 13.85,283 25.643,284 19.958,285 19.958,286 19.958,287 19.958,288 19.958,289 15.306,290 38.618,291 6.17,292 21.083,293 4.429,294 2.482,295 1.671,296 1.174,297 0.884,298 0.855,299 4.354,306 1,307 823,308 5.196,312 354.882,316 281.738,319 1.524,320 62.76,323 0.75,324 0.67,325 0.83,326 0.7,327 0.5,328 0.67,329 1,330 0.73,331 84,332 397,333 4.918,334 5.199,335 7.349,336 4.426,337 3.483,338 4.791,339 2.925,340 12.85,341 3.313,342 4.759,343 5.139,344 7.096,345 4.223,346 3.287,347 4.591,348 2.925,349 11.703,350 3.045,351 4.629,352 3.469,353 6.921,354 4.132,355 3.199,356 4.273,357 1.072,358 11.392,359 2.926,360 4.261,361 3.235,362 6.215,363 3.833,364 2.878,365 3.772,366 0.86,367 9.275,368 2.751,369 4.096,370 3.063,371 6.151,372 3.718,373 2.771,374 3.582,375 0.8,376 9.045,377 2.623,378 3.788,379 2.868,380 5.878,381 3.347,382 2.388,383 3.206,385 7.996,386 2.288,387 3.666,388 2.545,389 5.796,390 3.331,391 2.37,392 2.915,394 7.828,395 2.268,396 3.365,397 2.54,398 5.11,399 2.866,400 1.899,401 2.587,403 5.868,404 1.824,405 3.009,406 2.329,407 4.609,408 2.529,409 1.567,410 2.142,412 4.571,413 1.499,414 2.827,415 1.758,416 4.377,417 2.455,418 1.469,419 1.856,421 3.969,422 1.444,423 2.786,424 1.621,425 4.325,426 2.435,427 1.467,428 1.822,430 3.935,431 1.417,432 2.664,433 1.603,434 4.149,435 2.243,436 1.257,437 1.707,439 3.371,440 1.236,441 2.636,442 1.333,443 4.091,444 2.145,445 1.153,446 1.631,448 3.176,449 1.141,450 2.12,451 0.952,452 3.605,453 1.688,454 0.703,455 0.939,457 1.855,458 0.69,459 1.618,460 0.744,461 3.05,462 1.591,463 0.618,464 0.618,466 0.791,467 0.6,468 18.3,469 0.482,470 1.337,471 0.035,472 49,473 1.289,474 25,475 0.658,476 24,477 0.632,478 39.423,479 1.037,480 42.6,481 0.617,482 48.089,483 1.266,484 9.16,485 0.241,486 8.761,487 0.231,488 0.219,489 0.091,490 0.317,493 0.602,494 1.358,495 0.829,496 1.333,497 0.796,498 0.996,499 0.551,500 0.986,501 0.72,502 0.834,503 0.325,504 0.81,505 0.88,506 0.807,507 0.808,508 0.769,509 0.61,510 0.751,511 0.844,512 1.076,513 0.855,514 1.018,515 0.81,516 1.111,517 0.663,518 1.075,519 0.755,520 1.062,521 0.72,522 1.01,523 0.771,524 0.949,525 0.783,526 0.907,527 0.539,528 0.875,529 1.331,530 1.018,531 1.028,532 0.936,533 1.07,534 0.961,535 1.054,536 1.221,537 0.954,538 1.1,539 1.096,540 1.091,541 10.5,542 0.57,543 5.778,544 3.5,545 3.173,546 2.583,547 1.678,548 1.314,549 0.995,550 0.689,551 17675,552 53495,553 1.965,554 44.9,556 17,559 2,561 12,564 1.799,565 1.767,566 3.338,567 0.201,573 115.875,574 1.679,575 3.627,576 4.438,577 4.934,578 5.224,579 5.253,580 2.677,581 4.136,582 5.214,583 3.575,584 2513.51,585 9.255,586 39499.4,591 421.488,592 1.786,593 5.125,594 0.256,595 0.012,596 0.093,597 0.049,598 0.043,599 0.034,600 0.022,601 0.02,602 0.016,603 0.011,604 0.557,605 0.33,606 0.75,607 1.289,608 204.853,609 0.089,610 -0.149,611 0.26,612 -0.109,613 -0.2,614 0.027,615 0.339,616 0.116,617 0.126,618 0.113,619 0.485,620 0.142,621 -0.102,622 0.279,623 0.062,624 0.188,625 0.021,626 0.225,627 -0.05,628 -0.042,629 -0.045,630 -0.045,631 -0.057,632 -0.118,633 0.062,634 -0.095,635 0.165,636 -0.059,637 -0.053,638 0.02,639 0.298,640 -0.002,641 0.167,642 0.052,643 0.408,644 0.106,645 -0.099,646 -0.024,647 -0.07,648 0.03,649 -0.042,650 -0.018,651 -0.109,652 -0.166,653 -0.045,654 -0.12,655 -0.102,656 -0.126,657 5.8,658 5.463,659 0.526,660 42.803,661 1.014,662 1.121,663 2.518,664 6.338,665 0.674,666 3.738,667 4.143,668 4.431,669 4.727,670 5.056,671 5.313,672 5.561,673 5.793,674 5.979,675 6.075,676 6.823,677 0.639,678 559.74,679 3.738,680 5.333,681 6.209,682 7.135,683 8.038,684 8.97,685 9.885,686 10.821,687 11.743,688 12.683,689 2.9,695 1,703 1,707 6,712 6,714 12,727 1,730 1,733 69,735 20,736 2,737 41,739 72,740 27,741 12,742 6,743 6,744 7,747 4,748 7,753 4,762 19,763 8,766 8,769 2,771 4,773 3,775 4,782 31,783 8,784 2,785 11,786 2,791 2,792 1,796 0.5,797 7,816 4,820 2,835 4,836 2,843 2,845 2,848 2,850 4,854 38,859 2,861 2,862 4,865 1,868 1,878 10.1,879 2,881 4,883 1,885 21.5,886 13.517,887 8.306,888 4.615,890 3.811,891 1.445,892 0.968,893 8.029,894 12.373,895 4.025,896 4.71,897 5.25,898 5.856,899 6.497,900 7.002,901 7.523,902 8.001,903 8.463,904 8.811,905 0.857,906 71,907 15.475,909 7.863,910 8.079,911 26.57,913 22.265,915 2.579,916 98,920 341.362,921 163.532,922 5.023,924 177.818,926 2.678,927 160.854,928 519.18,929 5.023,930 35.301,931 10.322,932 166.156,933 96.626,934 37.968,936 341.362,938 341.362,939 165.877,940 177.818,941 2.678,943 202.008,944 240.879,945 78.192,947 43.724,948 86.582,949 36.35,951 341.362,952 182.841,953 163.532,955 2.678,956 341.362,957 40.267,958 125.61,960 177.818,961 341.362,962 182.841,963 163.532,965 0.597,966 0.354,967 0.184,968 0.101,969 30,970 16,971 0.111,972 8,973 2,974 1.2,975 4.269,976 402.908,977 0.2,978 20,979 165.421,984 2,985 28.272,986 10.792,987 5.54,989 180.942,990 8.756,995 0.796,997 78.192,998 687.735,999 55,1002 -9.6,1004 48.438,1006 5.614,1008 2.448,1011 69.96,1012 77.323,1013 0.275,1014 0.594,1015 0.726,1016 0.808,1017 0.855,1018 0.86,1019 5.323,1020 1.899,1021 6.282,1022 7.828,1023 4.828,1024 5.398,1025 3.674,1026 7.216,1027 4.726,1028 6.617,1029 1.567,1030 7.933,1031 5.868,1032 4.796,1033 5.677,1034 0.81,1035 8.541,1036 4.603,1037 8.018,1038 1.469,1039 9.693,1040 4.571,1041 6.613,1042 7.805,1043 5.693,1044 11.581,1045 6.387,1046 9.458,1047 1.467,1048 11.515,1049 3.969,1050 7.327,1051 8.831,1052 0.946,1053 13.632,1054 7.003,1055 10.928,1056 1.257,1057 13.374,1058 3.935,1059 8.718,1060 10.55,1061 7.827,1062 16.292,1063 8.36,1064 12.418,1065 1.153,1066 15.258,1067 3.371,1068 9.723,1069 11.868,1070 1.018,1071 18.615,1072 9.276,1073 13.925,1074 0.703,1075 17.159,1076 3.176,1077 10.979,1078 13.458,1079 9.973,1080 21.166,1081 10.489,1082 3.483,1083 0.618,1084 19.073,1085 1.855,1086 12.101,1087 14.897,1088 1.089,1089 23.599,1090 11.534,1091 3.287,1092 12.85,1093 20.998,1094 0.791,1095 13.317,1096 16.445,1097 12.119,1098 26.119,1099 12.7,1100 3.199,1101 11.703,1102 22.93,1103 4.791,1104 14.488,1105 17.938,1106 1.168,1107 28.6,1108 13.803,1109 2.878,1110 11.392,1111 24.869,1112 4.591,1113 15.695,1114 19.475,1115 14.265,1116 31.115,1117 14.958,1118 2.771,1119 9.275,1120 26.813,1121 4.273,1122 16.888,1123 20.993,1124 1.256,1125 33.619,1126 16.091,1127 2.388,1128 9.045,1129 28.762,1130 3.772,1131 18.096,1132 22.53,1133 16.412,1134 36.137,1135 17.247,1136 2.37,1137 7.996,1138 30.715,1139 3.582,1140 19.302,1141 24.06,1142 1.351,1143 38.653,1144 18.397,1145 17670,1146 31327,1147 25.66,1148 46.529,1149 62.721,1150 66.646,1151 66.713,1152 62.356,1153 62.256,1154 82.101,1155 17.163,1156 196.831,1157 59.331,1158 5.796,1159 7.199,1160 6.967,1161 5.525,1162 5.483,1163 7.791,1164 5.85,1165 20.794,1166 5.313,1167 26.448,1168 1.53,1169 1.626,1170 1.627,1171 1.521,1172 1.518,1173 2.002,1174 0.419,1175 4.801,1176 1.447,1177 4.166,1178 4.153,1179 4.767,1180 4.152,1181 7.767,1182 4.097,1183 4.006,1184 3.996,1185 4.673,1186 3.946,1187 7.757,1188 3.913,1189 3.862,1190 3.913,1191 4.035,1192 3.8,1193 6.999,1194 3.75,1195 3.832,1196 3.743,1197 3.795,1198 3.744,1199 6.999,1200 3.644,1201 3.666,1202 3.7,1203 3.624,1204 3.507,1205 6.313,1206 3.497,1207 3.502,1208 3.561,1209 3.469,1210 3.362,1211 6.311,1212 3.348,1213 3.43,1214 3.407,1215 3.349,1216 3.317,1217 4.963,1218 3.262,1219 3.306,1220 3.407,1221 3.04,1222 3.123,1223 4.616,1224 3.089,1225 0.12,1226 0.127,1227 0.179,1228 0.108,1229 0.085,1230 4.918,1231 0.117,1232 5.199,1233 0.071,1234 7.349,1235 0.313,1236 4.426,1237 0.081,1238 3.483,1239 4.791,1240 2.925,1241 12.85,1242 3.313,1243 2.068,1244 2.073,1245 2.104,1246 2.134,1247 1.318,1248 2.141,1249 1.921,1250 1.927,1251 1.989,1252 2.014,1253 1.204,1254 2.038,1255 1.832,1256 1.789,1257 1.943,1258 1.986,1259 1.174,1260 1.992,1261 1.629,1262 1.631,1263 1.841,1264 1.821,1265 1.039,1266 1.841,1267 1.521,1268 1.554,1269 1.743,1270 1.672,1271 0.874,1272 1.723,1273 1.506,1274 1.45,1275 1.725,1276 1.659,1277 0.869,1278 1.694,1279 1.351,1280 1.298,1281 1.725,1282 1.584,1283 0.869,1284 1.638,1285 1.351,1286 1.256,1287 1.263,1288 1.584,1289 0.59,1290 1.638,1291 4.419,1293 5.802,1295 7.386,1297 9.06,1299 10.784,1301 8.175,1306 19.6,1307 3.105,1310 6.37,1313 2.148,1318 44.059,1319 115.875,1320 250.256,1321 306.204,1322 340.469,1323 360.469,1324 362.469,1325 108.196,1326 8.561,1327 128.13,1328 144.89,1329 24,1330 13.182,1331 4.392,1332 3.907,1333 66.802,1334 148,1335 160,1336 0.216,1337 276.204,1338 499.89,1339 665.698,1340 60029,1342 27.828,1343 0.732,1344 0.615,1345 28.328,1346 23.357,1347 17.921,1348 0.437,1349 0.374,1350 12.536,1351 15.737,1352 11.927,1353 9.953,1354 19.71,1355 15.334,1356 17.473,1357 0.282,1358 0.19,1359 20.228,1360 11.771,1361 13.924,1362 0.168,1363 0.104,1364 15.39,1365 8.637,1366 11.748,1367 0.105,1368 0.056,1369 12.928,1370 6.221,1371 9.637,1372 0.062,1373 0.028,1374 10.939,1375 4.384,1376 0.327,1377 130.379,1378 0.197,1379 33.293,1380 0.637,1381 206,1382 650.676,1383 295.375,1384 665.289,1385 895.73,1386 604,1387 248,1388 612.115,1389 351.406,1390 691.787,1391 1015.17,1392 647,1393 4.224}
{0 CHEMBL1306900,1 1.699,2 11.065,3 3.257,4 10.606,5 123.919,6 7.96,7 0.485,8 4.141,9 4.241,10 3.92,11 3.731,12 5.188,13 3.658,14 4.7,15 4.871,16 4.231,17 4.096,18 5.865,19 4.011,20 4.903,21 5.082,22 4.276,23 4.23,24 6.022,25 4.115,26 5.03,27 5.237,28 4.315,29 4.223,30 6.17,31 4.11,32 4.962,33 5.168,34 4.18,35 4.178,36 6.203,37 4.049,38 4.948,39 5.169,40 4.207,41 4.19,42 5.964,43 4.049,44 4.939,45 5.117,46 4.332,47 4.199,48 6.187,49 4.104,50 5.001,51 5.183,52 4.161,53 4.238,54 6.134,55 4.109,56 0.073,57 0.856,58 14.521,59 6.289,60 16.062,61 7.215,62 0.461,63 1.394,64 28.549,65 9.851,66 55.852,67 11.841,68 0.406,69 1.619,70 36.718,71 13.201,72 60.744,73 15.114,74 0.713,75 1.744,76 46.059,77 14.096,78 98.866,79 16.248,80 0.764,81 1.659,82 40.349,83 13.268,84 119.382,85 15.878,86 0.514,87 1.688,88 46.449,89 14.04,90 56.848,91 16.311,92 0.643,93 1.609,94 37.311,95 12.751,96 85.094,97 14.708,98 0.627,99 1.701,100 43.037,101 14.05,102 92.79,103 15.753,104 44,105 46,106 0.276,107 0.575,108 0.75,109 0.817,110 0.834,111 0.834,112 3.472,113 1.132,114 -4.2,115 -4.14,116 -3.91,119 37.9,121 2,124 3,125 3,141 8,143 2,145 1,150 1,156 1,160 1,171 6,173 3,174 7,182 6,185 1,186 9,194 3,198 2,199 12,207 6,212 5,213 4,221 2,225 2,226 7,234 3,238 3,239 12,247 4,251 5,259 4,263 3,264 6,271 4,274 1903,275 20.515,276 20.515,277 20.515,278 20.515,279 20.515,280 18.267,281 21.973,282 12.117,283 21.401,284 16.209,285 16.209,286 16.209,287 16.209,288 16.209,289 12.636,290 27.328,291 5.638,292 17.585,293 4.159,294 2.323,295 1.246,296 0.832,297 0.729,298 0.729,299 4.149,305 1,306 1,307 717,308 4.848,311 75.134,312 222.416,315 147.332,319 1.555,320 41.842,323 1,324 0.67,325 0.83,326 0.8,327 0.5,328 1,329 1,330 0.83,331 67.5,332 343,333 4.843,334 5.247,335 7.293,336 4.237,337 3.375,338 4.694,339 2.95,340 12.406,341 2.906,342 4.584,343 3.754,344 6.633,345 4.077,346 3.164,347 4.525,348 1.94,349 10.675,350 2.868,351 4.058,352 3.197,353 6.333,354 3.768,355 2.818,356 3.353,357 0.86,358 9.516,359 2.668,360 3.563,361 2.814,362 5.265,363 3.138,364 2.222,365 3.054,366 0.8,367 6.386,368 2.042,369 3.512,370 2.67,371 4.974,372 3.071,373 2.149,374 2.85,375 0.555,376 5.475,377 1.995,378 3.231,379 2.567,380 4.847,381 2.996,382 2.033,383 2.484,385 5.179,386 1.899,387 3.213,388 2.227,389 4.658,390 2.751,391 1.794,392 2.227,394 5.125,395 1.693,396 2.889,397 1.731,398 4.145,399 2.451,400 1.472,401 2.037,403 3.616,404 1.438,405 2.703,406 1.586,407 3.924,408 2.226,409 1.276,410 1.776,412 3.088,413 1.201,414 2.5,415 1.354,416 3.641,417 2.187,418 1.208,419 1.5,421 2.762,422 1.174,423 2.429,424 1.21,425 3.333,426 2,427 1,428 1.411,430 2.136,431 1,432 2.174,433 1.009,434 3.247,435 1.695,436 0.838,437 1.07,439 1.878,440 0.707,441 1.825,442 1,443 3.226,444 1.622,445 0.685,446 0.75,448 1.637,449 0.635,450 1.612,451 0.818,452 2.977,453 1.276,454 0.28,455 0.337,457 0.647,458 0.273,459 1.514,460 0.557,461 2.67,462 1.109,463 0.237,464 0.297,466 0.405,467 0.204,468 15.2,469 0.49,470 0.858,471 0.028,472 39.25,473 1.266,474 19.5,475 0.629,476 19.75,477 0.637,478 28.856,479 0.931,480 34.6,481 0.597,482 31.729,483 1.024,484 7.533,485 0.243,486 7.281,487 0.235,488 0.164,489 0.055,490 0.25,493 0.601,494 1.422,495 0.813,496 1.188,497 0.607,498 1.032,499 0.9,500 0.965,501 0.911,502 0.897,503 0.613,504 0.83,505 1.104,506 1.145,507 1.106,508 1.102,509 1.105,510 1.026,511 1.284,512 0.993,513 1.07,514 1.036,515 1.44,516 0.933,517 0.93,518 1.07,519 1.096,520 1.046,521 1.012,522 1.028,523 0.915,524 1.033,525 1.143,526 1.119,527 0.905,528 0.973,529 1.19,530 1.085,531 0.952,532 1.015,533 1.278,534 0.986,535 1.556,536 1.098,537 1.365,538 1.173,539 1.604,540 1.15,541 7,542 0.294,543 4.222,544 2.444,545 1.512,546 1.184,547 0.988,548 0.563,549 0.441,550 0.39,551 11962,552 34334,553 1.986,554 46.6,556 23,560 2,562 2,564 1.743,565 1.833,566 3.392,567 -0.703,569 1,573 98.519,574 1.699,575 3.535,576 4.612,577 5.026,578 5.129,579 5.129,580 2.816,581 4.567,582 4.925,583 3.608,584 1677.51,585 8.639,586 24423.1,591 339.763,592 1.615,593 4.862,594 0.212,595 0.008,596 0.092,597 0.052,598 0.034,599 0.028,600 0.024,601 0.012,602 0.011,603 0.011,604 0.482,605 0.33,606 0.88,607 1.353,608 160.743,609 0.065,610 -0.226,611 0.174,612 -0.063,613 -0.089,614 -0.015,615 0.07,616 0.161,617 0.101,618 0.129,619 0.149,620 0.133,621 -0.086,622 -0.083,623 -0.044,624 -0.037,625 -0.053,626 -0.041,627 -0.08,628 0.025,629 0.024,630 -0.006,631 -0.11,632 0.029,633 0.135,634 -0.037,635 -0.064,636 -0.045,637 0.166,638 -0.065,639 -0.015,640 0.02,641 -0.003,642 -0.035,643 -0.008,644 0.024,645 0.036,646 -0.055,647 0.049,648 -0.023,649 0.044,650 -0.036,651 -0.3,652 -0.068,653 -0.281,654 -0.122,655 -0.237,656 -0.189,657 4.45,658 6.112,659 0.484,660 31.471,661 1.006,662 1.123,663 2.966,664 8.799,665 0.677,666 3.526,667 3.85,668 4.078,669 4.29,670 4.466,671 4.554,672 4.691,673 4.673,674 4.691,675 4.796,676 6.892,677 0.631,678 461.66,679 3.526,680 5.069,681 5.905,682 6.783,683 7.644,684 8.529,685 9.402,686 10.291,687 11.171,688 12.062,689 5.2,692 1,696 1,699 1,706 2,707 8,708 1,711 1,712 3,714 16,730 1,733 58,735 19,736 2,737 33,739 60,740 22,741 13,742 4,743 8,747 3,748 4,760 2,762 14,763 8,766 3,769 1,771 3,775 1,779 1,782 27,783 7,785 9,786 2,791 3,796 0.667,797 4,815 1,816 2,819 1,830 1,841 1,845 2,848 2,850 3,854 31,857 1,862 5,865 1,868 2,872 1,878 6.9,881 3,883 1,885 16.917,886 11.267,887 6.903,888 3.314,890 2.703,891 1.373,892 0.962,893 8.035,894 9.953,895 3.807,896 4.416,897 4.937,898 5.492,899 5.975,900 6.235,901 6.608,902 6.808,903 6.815,904 7.056,905 1,906 47,907 11.769,909 5.178,910 7.879,911 21.951,913 17.848,915 2.379,916 73.75,919 1,920 317.82,921 165.879,922 23.034,924 80.458,926 37.324,927 128.555,928 398.278,929 23.034,930 27.676,931 13.304,932 81.856,933 90.948,934 23.563,935 0.746,936 349.097,938 317.82,939 151.59,940 80.458,941 37.324,943 294.278,944 104,947 19.074,948 115.73,949 22.831,950 31.278,951 317.82,952 103.492,953 165.879,955 6.046,956 317.82,957 56.347,958 109.734,960 97.243,961 317.82,962 103.492,963 165.879,965 0.58,966 0.33,967 0.169,968 0.09,969 20,970 10,971 0.167,972 10,973 1,974 1.133,975 4.101,976 270.847,977 0.133,978 15,979 145.58,981 1,984 1,985 23.646,986 10.535,987 6.03,988 1.615,989 103.492,990 13.861,991 4.641,994 1.403,995 1.43,998 587.191,999 44,1002 -3.533,1004 38.345,1008 -0.253,1011 58.371,1012 65.155,1013 0.29,1014 0.604,1015 0.787,1016 0.858,1017 0.876,1018 0.876,1019 5.043,1020 1.472,1021 5.922,1022 5.125,1023 4.533,1024 5.103,1025 3.315,1026 6.767,1027 4.37,1028 6.275,1029 1.276,1030 7.514,1031 3.616,1032 4.29,1033 5.182,1034 1.738,1035 7.978,1036 3.961,1037 7.62,1038 1.208,1039 9.224,1040 3.088,1041 6.201,1042 7.423,1043 5.15,1044 11.008,1045 5.833,1046 9.013,1047 1,1048 11.007,1049 2.762,1050 6.792,1051 8.357,1052 3.144,1053 13.05,1054 6.223,1055 10.446,1056 0.838,1057 12.838,1058 2.136,1059 8.221,1060 10.137,1061 7.231,1062 15.679,1063 7.606,1064 11.908,1065 0.685,1066 14.703,1067 1.878,1068 9.163,1069 11.423,1070 4.541,1071 18.005,1072 8.352,1073 13.392,1074 0.28,1075 16.592,1076 1.637,1077 10.427,1078 13.045,1079 9.366,1080 20.526,1081 9.544,1082 3.375,1083 0.237,1084 18.497,1085 0.647,1086 11.514,1087 14.476,1088 5.912,1089 22.953,1090 10.452,1091 3.164,1092 12.406,1093 20.416,1094 0.405,1095 12.724,1096 16.042,1097 11.519,1098 25.448,1099 11.563,1100 2.818,1101 10.675,1102 22.344,1103 4.694,1104 13.872,1105 17.532,1106 7.263,1107 27.915,1108 12.548,1109 2.222,1110 9.516,1111 24.28,1112 4.525,1113 15.065,1114 19.076,1115 13.678,1116 30.408,1117 13.624,1118 2.149,1119 6.386,1120 26.223,1121 3.353,1122 16.239,1123 20.591,1124 8.602,1125 32.895,1126 14.644,1127 2.033,1128 5.475,1129 28.171,1130 3.054,1131 17.43,1132 22.128,1133 15.84,1134 35.392,1135 15.706,1136 1.794,1137 5.179,1138 30.123,1139 2.85,1140 18.616,1141 23.653,1142 9.936,1143 37.888,1144 16.743,1145 11832,1146 20271,1147 21.266,1148 39.267,1149 49.298,1150 51.738,1151 50.931,1152 49.208,1153 49.102,1154 64.729,1155 14.212,1156 141.863,1157 45.404,1158 5.795,1159 7.247,1160 7.095,1161 5.381,1162 5.375,1163 7.694,1164 5.9,1165 19.587,1166 4.906,1167 17.934,1168 1.494,1169 1.568,1170 1.543,1171 1.491,1172 1.488,1173 1.961,1174 0.431,1175 4.299,1176 1.376,1177 4.105,1178 4.099,1179 4.742,1180 4.111,1181 7.714,1182 4.022,1183 4.044,1184 4.034,1185 4.325,1186 4.035,1187 7.427,1188 3.975,1189 3.754,1190 3.818,1191 3.683,1192 3.628,1193 6.999,1194 3.606,1195 3.68,1196 3.717,1197 3.637,1198 3.545,1199 5.007,1200 3.523,1201 3.53,1202 3.567,1203 3.509,1204 3.353,1205 4.715,1206 3.338,1207 3.295,1208 3.343,1209 3.395,1210 3.177,1211 4.53,1212 3.131,1213 3.265,1214 3.315,1215 3.091,1216 3.071,1217 4.337,1218 3.051,1219 3.198,1220 3.248,1221 3.044,1222 2.97,1223 4.243,1224 2.979,1225 0.147,1226 0.159,1227 0.221,1228 0.128,1229 0.102,1230 4.843,1231 0.142,1232 5.247,1233 0.089,1234 7.293,1235 0.376,1236 4.237,1237 0.088,1238 3.375,1239 4.694,1240 2.95,1241 12.406,1242 2.906,1243 1.981,1244 1.997,1245 2.003,1246 2.037,1247 1.32,1248 2.087,1249 1.893,1250 1.881,1251 1.958,1252 1.975,1253 1.239,1254 1.976,1255 1.733,1256 1.682,1257 1.947,1258 1.938,1259 1.102,1260 1.948,1261 1.634,1262 1.594,1263 1.796,1264 1.816,1265 1.007,1266 1.831,1267 1.451,1268 1.41,1269 1.679,1270 1.658,1271 0.839,1272 1.691,1273 1.246,1274 1.187,1275 1.57,1276 1.511,1277 0.589,1278 1.534,1279 1.199,1280 1.167,1281 1.417,1282 1.436,1283 0.56,1284 1.463,1285 1.091,1286 1.041,1287 1.315,1288 1.271,1289 0.469,1290 1.308,1291 4.205,1293 5.525,1294 2.398,1295 7.034,1296 4.727,1297 8.63,1298 6.862,1299 10.272,1301 5.532,1307 1.669,1310 5.39,1313 3.651,1318 36.619,1319 98.519,1320 205.052,1321 267.498,1322 291.498,1323 297.498,1324 297.498,1325 83.207,1326 7.251,1327 79.81,1328 116.43,1329 17,1330 12.592,1331 4.322,1332 3.585,1333 57.834,1334 121,1335 132,1336 0.219,1337 234.832,1338 403.44,1339 564.751,1340 12769,1342 22.433,1343 0.724,1344 0.632,1345 23.036,1346 19.578,1347 14.814,1348 0.449,1349 0.377,1350 10.034,1351 12.979,1352 9.473,1353 7.911,1354 16.043,1355 12.449,1356 13.583,1357 0.295,1358 0.228,1359 15.548,1360 10.506,1361 10.675,1362 0.184,1363 0.131,1364 12.557,1365 7.572,1366 8.473,1367 0.118,1368 0.076,1369 10.331,1370 5.443,1371 6.554,1372 0.076,1373 0.043,1374 8.236,1375 3.697,1376 0.341,1377 105.596,1378 0.217,1379 29.028,1380 0.609,1381 158,1382 505.598,1383 236.401,1384 521.762,1385 695.57,1386 482,1387 183,1388 454.739,1389 264.864,1390 510.565,1391 740.95,1392 474,1393 4.765}
{0 CHEMBL1307050,1 1.806,2 12,3 4.502,4 20.266,5 108.365,6 9.042,7 0.6,8 3.925,9 4.012,10 3.79,11 3.582,12 5.075,13 3.529,14 4.433,15 4.558,16 4.099,17 3.926,18 5.783,19 3.871,20 4.691,21 4.858,22 4.214,23 4.028,24 6.053,25 3.95,26 4.661,27 4.842,28 4.154,29 3.959,30 5.986,31 3.875,32 4.648,33 4.827,34 4.156,35 3.871,36 6.004,37 3.811,38 4.508,39 4.664,40 4.116,41 3.762,42 6.159,43 3.746,44 4.372,45 4.524,46 3.869,47 3.753,48 5.655,49 3.681,50 4.343,51 4.505,52 3.85,53 3.72,54 5.64,55 3.631,56 0.099,57 0.655,58 8.655,59 4.485,60 17.755,61 4.727,62 0.319,63 1.051,64 16.663,65 7.28,66 55.725,67 8.323,68 0.637,69 1.265,70 24.015,71 9.27,72 84.62,73 10.689,74 0.434,75 1.241,76 26.85,77 9.828,78 50.802,79 10.759,80 0.576,81 1.161,82 31.756,83 9.763,84 92.727,85 10.085,86 0.822,87 1.015,88 23.154,89 7.099,90 138.445,91 7.186,92 0.419,93 0.898,94 20.025,95 6.311,96 58.792,97 6.478,98 0.28,99 0.864,100 20.264,101 7.24,102 36.221,103 7.892,104 27,105 42,106 0.306,107 0.613,108 0.736,109 0.812,110 0.837,111 0.837,112 3.374,113 1.061,114 -4.47,115 -4.4,116 -4.14,119 43.5,120 1,121 1,125 1,141 9,142 2,143 2,144 1,145 1,148 1,156 1,171 12,173 2,177 1,179 2,182 13,185 5,186 4,189 1,191 2,194 9,199 9,204 2,207 2,212 1,213 12,216 1,218 1,225 2,226 11,229 2,231 1,234 2,239 7,244 1,247 3,251 10,256 2,259 3,264 8,269 2,271 5,274 1304,275 18.549,276 18.549,277 18.549,278 18.549,279 18.549,280 15.943,281 18.862,282 10.879,283 19.07,284 14.727,285 14.727,286 14.727,287 14.727,288 14.727,289 10.75,290 18.874,291 5.103,292 15.677,293 3.718,294 1.9,295 1.175,296 0.728,297 0.582,298 0.582,299 4.052,302 1,305 1,306 1,307 708,308 3.873,312 307.447,319 1.857,320 41.283,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 60.833,332 336,333 4.865,334 5.263,335 7.314,336 4.26,337 3.406,338 4.718,339 3.272,340 12.542,341 2.913,342 4.306,343 3.624,344 6.398,345 3.896,346 2.945,347 3.898,348 1.058,349 9.705,350 2.764,351 4.026,352 3.044,353 5.508,354 3.612,355 2.63,356 3.629,358 7.406,359 2.579,360 3.848,361 2.869,362 5.384,363 3.419,364 2.43,365 3.406,367 6.932,368 2.39,369 3.551,370 2.754,371 5.175,372 3.185,373 2.223,374 2.85,376 6.412,377 2.122,378 3.279,379 2.328,380 4.789,381 2.805,382 1.841,383 2.532,385 5.069,386 1.728,387 3.065,388 2.299,389 4.693,390 2.517,391 1.616,392 2.26,394 4.673,395 1.455,396 2.867,397 1.509,398 3.806,399 2.357,400 1.39,401 2.017,403 3.026,404 1.288,405 2.546,406 1.402,407 3.61,408 2,409 1.042,410 1.509,412 2.715,413 1,414 2.5,415 1.045,416 3.414,417 2,418 1,419 1.5,421 2.275,422 1,423 2.5,424 1,425 3.247,426 1.992,427 1,428 1.5,430 2.136,431 0.981,432 1.735,433 1,434 3.145,435 1.559,436 0.563,437 0.633,439 0.917,440 0.558,441 1.253,442 0.836,443 2.914,444 0.872,450 1.193,451 0.425,452 2.687,453 0.833,454 -0.134,455 -0.166,457 -0.325,458 -0.126,459 1.137,460 0.311,461 2.57,462 0.646,463 -0.242,464 -0.317,466 -0.526,467 -0.213,468 13.748,469 0.491,470 0.786,471 0.028,472 40.5,473 1.446,474 23,475 0.821,476 17.5,477 0.625,478 20.41,479 0.729,480 29.452,481 0.64,482 31.654,483 1.131,484 7.773,485 0.278,486 5.613,487 0.2,488 0.161,489 0.061,490 0.255,493 0.514,494 1.212,495 0.696,496 1.073,497 0.618,498 0.87,499 0.572,500 1.23,501 0.807,502 1.11,503 0.604,504 0.971,505 0.811,506 0.994,507 0.838,508 0.917,509 0.942,510 0.972,511 0.906,512 1.157,513 0.936,514 1.157,515 0.87,516 1.003,517 1.351,518 1.065,519 0.85,520 0.986,521 1.575,522 0.85,523 1.233,524 0.926,525 0.951,526 0.781,527 1.204,528 0.733,529 1.593,530 0.892,531 1.416,532 0.859,533 1.341,534 0.973,535 1.129,536 1.091,537 1.208,538 1.104,539 0.969,540 1.011,541 7,542 0.161,543 3.556,544 2,545 1.867,546 1.292,547 0.487,548 0.55,549 0.34,550 0.199,551 9612,552 29834,553 2.005,554 39.1,555 5,556 11,558 1,559 1,564 1.711,565 1.856,566 3.526,567 -0.288,573 83.077,574 1.806,575 3.624,576 4.349,577 4.795,578 4.942,579 4.942,580 3.058,581 4.209,582 4.775,583 3.675,584 1389.31,585 8.308,586 18443.6,588 1,591 254.084,592 1.598,593 4.719,594 0.233,595 0.008,596 0.085,597 0.047,598 0.048,599 0.034,600 0.013,601 0.018,602 0.011,603 0.008,604 0.505,605 0.17,606 1,607 0.787,608 141.231,609 0.049,610 -0.088,611 0.123,612 -0.036,613 -0.113,614 0.024,615 0.199,616 -0.163,617 0.032,618 -0.124,619 0.152,620 -0.058,621 0.201,622 0.027,623 0.066,624 0.014,625 0.056,626 -0.044,627 0.056,628 -0.129,629 0.075,630 -0.112,631 0.093,632 -0.026,633 -0.057,634 -0.092,635 0.176,636 0.048,637 -0.131,638 0.118,639 0.239,640 0.123,641 0.09,642 0.133,643 0.302,644 0.136,645 -0.411,646 0.151,647 -0.286,648 0.048,649 -0.297,650 -0.089,651 -0.137,652 -0.106,653 -0.08,654 -0.073,655 -0.016,656 -0.036,657 4.746,658 5.617,659 0.643,660 27.878,661 1.016,662 1.115,663 3.239,664 10.491,665 0.717,666 3.434,667 3.761,668 3.97,669 4.159,670 4.369,671 4.382,672 4.382,673 4.454,674 4.443,675 4.5,676 6.81,677 0.683,678 415.93,679 3.434,680 4.977,681 5.808,682 6.681,683 7.531,684 8.408,685 9.265,686 10.146,687 11.007,688 11.891,689 6.5,696 1,699 2,707 10,708 2,712 6,714 18,720 1,732 1,733 46,735 21,736 2,737 30,739 48,740 20,741 16,742 3,743 9,744 1,747 3,748 3,749 1,753 1,760 1,762 17,763 3,766 3,769 1,771 3,775 1,779 1,782 18,783 6,784 1,785 8,786 2,791 3,796 1,797 3,810 1,816 3,845 3,848 1,850 1,851 1,854 28,857 1,862 2,864 1,877 1,878 6.5,881 3,885 15.083,886 8.543,887 6.181,888 2.725,890 3.053,891 1.43,892 0.987,893 6.203,894 10.16,895 3.761,896 4.388,897 4.877,898 5.389,899 5.91,900 6.04,901 6.236,902 6.48,903 6.642,904 7.021,905 1,906 43,907 10.656,909 4.874,910 8.043,911 19.292,913 15.732,915 2.543,916 71.194,919 1,920 200.109,921 133.422,922 51.582,923 39.149,924 69.458,926 6.046,927 127.376,928 308.715,929 51.582,930 8.825,931 21.445,932 91.332,933 119.505,934 24.433,935 0.693,936 188.338,937 39.149,938 200.109,939 178.958,940 69.458,941 45.195,943 200.109,944 69.458,947 42.767,948 102.619,949 78.766,951 200.109,952 121.04,953 172.571,955 6.046,956 200.109,957 24.217,958 103.159,959 18.011,960 142.178,961 200.109,962 121.04,963 172.571,965 0.584,966 0.336,967 0.168,968 0.092,969 19,970 9,971 0.125,972 6,974 1,975 3.913,976 234.291,978 18,979 124.606,984 1,985 20.158,986 8.617,987 5.033,989 121.04,990 17.123,991 7.735,995 1.637,997 18.011,998 493.719,999 42,1002 -3.829,1004 37.78,1008 -0.604,1011 46.756,1012 51.309,1013 0.327,1014 0.656,1015 0.787,1016 0.868,1017 0.895,1018 0.895,1019 4.987,1020 1.39,1021 5.826,1022 4.673,1023 4.443,1024 5.075,1025 3.205,1026 6.655,1027 4.317,1028 6.232,1029 1.042,1030 7.409,1031 3.026,1032 4.205,1033 5.112,1035 7.84,1036 3.919,1037 7.578,1038 1,1039 9.107,1040 2.715,1041 6.107,1042 7.374,1043 5.45,1044 10.851,1045 5.812,1046 8.967,1047 1,1048 10.877,1049 2.275,1050 6.673,1051 8.214,1053 12.879,1054 6.176,1055 10.391,1056 0.563,1057 12.696,1058 2.136,1059 8.104,1060 10.011,1061 7.808,1062 15.517,1063 7.579,1064 11.841,1066 14.551,1067 0.917,1068 9.023,1069 11.212,1071 17.859,1072 8.284,1073 13.313,1074 -0.134,1075 16.433,1077 10.289,1078 12.84,1079 10.177,1080 20.402,1081 9.482,1082 3.406,1083 -0.242,1084 18.336,1085 -0.325,1086 11.366,1087 14.215,1089 22.858,1090 10.352,1091 2.945,1092 12.542,1093 20.255,1094 -0.526,1095 12.58,1096 15.779,1097 12.548,1098 25.381,1099 11.46,1100 2.63,1101 9.705,1102 22.188,1103 4.718,1104 13.728,1105 17.239,1107 27.878,1108 12.413,1109 2.43,1110 7.406,1111 24.13,1112 3.898,1113 14.93,1114 18.783,1115 14.919,1116 30.399,1117 13.481,1118 2.223,1119 6.932,1120 26.081,1121 3.629,1122 16.111,1123 20.286,1125 32.913,1126 14.477,1127 1.841,1128 6.412,1129 28.039,1130 3.406,1131 17.315,1132 21.826,1133 17.29,1134 35.436,1135 15.53,1136 1.616,1137 5.069,1138 30.002,1139 2.85,1140 18.513,1141 23.35,1143 37.958,1144 16.549,1145 9414,1146 16861,1147 19.474,1148 32.977,1149 44.575,1150 47.577,1151 45.996,1152 44.482,1153 44.171,1154 60.905,1155 8.661,1156 127.616,1157 41.559,1158 5.714,1159 7.263,1160 7.116,1161 5.384,1162 5.406,1163 7.718,1164 6.545,1165 19.968,1166 4.913,1167 15.017,1168 1.486,1169 1.586,1170 1.533,1171 1.483,1172 1.472,1173 2.03,1174 0.289,1175 4.254,1176 1.385,1177 4.093,1178 4.08,1179 4.741,1180 4.075,1181 7.714,1182 3.984,1183 3.937,1184 3.964,1185 3.97,1186 3.871,1187 7.429,1188 3.863,1189 3.848,1190 3.876,1191 3.852,1192 3.775,1193 6.999,1194 3.761,1195 3.646,1196 3.626,1197 3.781,1198 3.567,1199 5.023,1200 3.522,1201 3.419,1202 3.489,1203 3.355,1204 3.263,1205 4.753,1206 3.248,1207 3.182,1208 3.231,1209 3.145,1210 2.931,1211 4.734,1212 2.963,1213 2.913,1214 2.954,1215 3.022,1216 2.802,1217 4.438,1218 2.781,1219 2.854,1220 2.925,1221 2.788,1222 2.735,1223 4.077,1224 2.715,1225 0.162,1226 0.175,1227 0.244,1228 0.142,1229 0.114,1230 4.865,1231 0.157,1232 5.263,1233 0.109,1234 7.314,1235 0.418,1236 4.26,1237 0.097,1238 3.406,1239 4.718,1240 3.272,1241 12.542,1242 2.913,1243 1.967,1244 1.97,1245 2.053,1246 2.054,1247 1.257,1248 2.08,1249 1.926,1250 1.897,1251 2.033,1252 2.015,1253 1.205,1254 2.031,1255 1.797,1256 1.783,1257 1.779,1258 1.92,1259 0.931,1260 1.922,1261 1.516,1262 1.532,1263 1.714,1264 1.673,1265 0.855,1266 1.703,1267 1.421,1268 1.353,1269 1.462,1270 1.583,1271 0.715,1272 1.626,1273 1.071,1274 1.023,1275 1.246,1276 1.357,1277 0.274,1278 1.33,1279 0.886,1280 0.85,1281 1.181,1282 1.062,1283 0.218,1284 1.107,1285 0.886,1286 0.821,1287 1.181,1288 1.062,1289 0.218,1290 1.107,1291 4.111,1293 5.434,1295 6.952,1297 8.551,1299 10.192,1301 2.033,1302 6.035,1307 0.615,1309 2.67,1318 31.438,1319 83.077,1320 166.684,1321 200.045,1322 220.574,1323 227.329,1324 227.329,1325 68.332,1326 7.107,1327 89.02,1328 97.4,1329 18,1330 12.429,1331 4.459,1332 3.7,1333 49.7,1334 112,1335 132,1336 0.213,1337 202.999,1338 351.47,1339 487.076,1340 11389,1341 2.2,1342 20.148,1343 0.72,1344 0.595,1345 20.898,1346 16.666,1347 13.386,1348 0.446,1349 0.354,1350 8.67,1351 11.988,1352 8.264,1353 6.89,1354 14.496,1355 10.613,1356 12.356,1357 0.294,1358 0.2,1359 14.027,1360 8.389,1361 9.882,1362 0.19,1363 0.111,1364 11.332,1365 5.778,1366 7.738,1367 0.123,1368 0.062,1369 9.075,1370 3.913,1371 6.042,1372 0.077,1373 0.035,1374 7.288,1375 2.726,1376 0.336,1377 94.552,1378 0.227,1379 26.902,1380 0.581,1381 144,1382 475.893,1383 209.03,1384 513.145,1385 674.62,1386 470,1387 166,1388 437.102,1389 234.992,1390 487.732,1391 707.53,1392 455,1393 4.917}
{0 CHEMBL1307636,1 2.063,2 7.65,3 3.69,4 13.614,5 83.547,6 12.456,7 0.545,8 3.546,9 3.605,10 3.714,11 3.275,12 4.634,13 3.212,14 4.093,15 4.194,16 4.122,17 3.688,18 5.5,19 3.612,20 4.317,21 4.441,22 4.452,23 3.844,24 5.576,25 3.719,26 4.363,27 4.498,28 4.22,29 3.713,30 5.767,31 3.604,32 4.218,33 4.371,34 4.128,35 3.528,36 5.594,37 3.436,38 4.033,39 4.214,40 3.786,41 3.349,42 5.421,43 3.26,44 3.758,45 3.948,46 3.665,47 3.239,48 4.82,49 3.06,50 3.44,51 3.618,52 3.417,53 2.955,54 4.522,55 2.724,56 0.099,57 0.426,58 1.905,59 2.747,60 15.238,61 2.47,62 0.367,63 0.711,64 3.999,65 4.516,66 41.097,67 4.454,68 0.357,69 0.888,70 31.457,71 8.044,72 30.609,73 7.172,74 0.616,75 0.891,76 26.235,77 8.181,78 81.386,79 6.181,80 0.502,81 0.72,82 26.479,83 7.509,84 60.675,85 6.329,86 0.471,87 0.596,88 14.421,89 5.53,90 59.436,91 5.544,92 0.237,93 0.447,94 18.367,95 4.623,96 25.328,97 4.773,98 0.194,99 0.282,100 24.541,101 3.954,102 16.006,103 3.934,104 17,105 33,106 0.388,107 0.69,108 0.799,109 0.872,110 0.884,111 0.884,112 3.06,113 1.163,114 -3.82,115 -3.78,116 -3.59,117 1,119 43.3,121 1,125 1,141 5,142 1,143 3,144 1,146 1,171 5,173 3,174 4,182 6,186 7,194 6,198 3,199 7,207 1,213 7,221 3,226 8,234 2,239 2,247 4,251 1,259 5,271 3,274 464,275 13.118,276 13.118,277 13.118,278 13.118,279 13.118,280 11.322,281 12.922,282 7.441,283 13.65,284 10.808,285 10.808,286 10.808,287 10.808,288 10.808,289 8.083,290 15.053,291 3.478,292 11.857,293 2.844,294 1.237,295 0.654,296 0.267,297 0.2,298 0.2,299 3.729,303 1,304 1,305 1,306 1,307 329,308 3,311 39.675,312 110.007,315 75.071,319 1.185,320 28.792,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 43.083,332 153,333 4.967,334 4.732,335 7.736,336 4.497,337 3.57,338 4.787,339 0.4,340 13.988,341 3.297,342 4.245,343 3.277,344 6.41,345 3.837,346 2.887,347 3.854,349 9.676,350 2.746,351 4.08,352 3.172,353 5.905,354 3.531,355 2.671,356 3.687,358 8.058,359 2.209,360 3.182,361 2.185,362 5.34,363 2.774,364 1.837,365 2.415,367 5.812,368 1.66,369 2.95,370 2.1,371 4.492,372 2.543,373 1.546,374 2.126,376 4.167,377 1.54,378 2.887,379 1.682,380 4.072,381 2.385,382 1.414,383 2.015,385 3.54,386 1.343,387 2.819,388 1.501,389 4,390 2.245,391 1.414,392 1.945,394 3.432,395 1.104,396 2.302,397 1.163,398 3.576,399 2.006,400 1.036,401 1.244,403 2.565,404 0.999,405 1.727,406 0.761,407 3.174,408 1.46,409 0.479,410 0.58,412 1.153,413 0.468,414 1.368,415 0.583,416 2.87,417 0.774,418 0.088,419 0.107,421 0.194,422 0.047,423 1,424 0.137,425 2.503,426 0.208,427 -0.645,428 -0.832,430 -1.707,431 -0.386,432 0.743,433 -0.297,434 2.375,435 0.195,436 -0.794,437 -1.019,439 -1.935,440 -0.791,441 0.61,442 -0.688,443 2,444 0.118,445 -0.872,446 -1.167,448 -2.172,449 -0.856,450 0.535,451 -0.821,452 2,454 -1,455 -1.531,457 -3,458 -0.869,459 0.073,460 -1,461 2,462 -0.419,463 -1.221,464 -1.719,466 -3.255,467 -1,468 10.848,469 0.542,470 0.674,471 0.034,472 28.25,473 1.413,474 15.5,475 0.775,476 12.75,477 0.638,478 15.828,479 0.791,480 20.352,481 0.678,482 17.528,483 0.876,484 5.036,485 0.252,486 4.462,487 0.223,488 0.25,489 0.077,490 0.267,493 0.45,494 1.323,495 0.508,496 0.968,497 0.622,498 0.77,499 0.55,500 0.998,501 0.56,502 0.689,503 0.542,504 0.761,505 0.841,506 1.277,507 0.829,508 1.162,509 0.784,510 1.003,511 1.539,512 0.918,513 0.57,514 0.868,515 1.797,516 0.977,517 1.162,518 1.061,519 0.85,520 1.062,521 1.496,522 1.019,523 0.819,524 0.836,525 0.588,526 0.728,527 0.972,528 0.85,529 0.817,530 0.837,531 1.561,532 0.912,533 0.618,534 1.051,535 1.044,536 0.847,537 2.45,538 1.368,539 0.458,540 1.343,541 5,542 0.012,543 3.778,544 2.035,545 1.481,546 0.702,547 0.318,548 0.233,549 0.134,550 0.046,551 3391,552 13351,553 2.036,554 33.3,556 7,558 1,561 2,564 1.622,565 1.86,566 2.944,567 -0.64,569 1,573 61.882,574 2.063,575 3.67,576 4.253,577 4.64,578 4.707,579 4.707,580 2.441,581 4.122,582 4.296,583 3.019,584 573.535,585 7.36,586 5608.17,587 1,588 1,589 1,590 1,591 147.207,592 1.72,593 4.22,594 0.227,595 0.012,596 0.114,597 0.06,598 0.051,599 0.029,600 0.016,601 0.017,602 0.015,603 0.011,604 0.553,605 0.67,606 1,607 0.68,608 86.306,609 0.106,610 -0.251,611 0.024,612 -0.147,613 -0.125,614 -0.014,615 0.249,616 0.081,617 0.02,618 0.091,619 0.232,620 0.021,621 -0.001,622 -0.24,623 0.056,624 -0.12,625 0.059,626 -0.049,627 -0.243,628 0.117,629 0.025,630 0.076,631 -0.223,632 -0.077,633 -0.014,634 -0.136,635 0.057,636 -0.081,637 -0.099,638 -0.02,639 0.195,640 0.078,641 0.092,642 0.107,643 0.102,644 0.157,645 -0.109,646 0.047,647 -0.1,648 0.088,649 -0.092,650 0.037,651 -0.213,652 -0.041,653 -0.365,654 -0.169,655 -0.069,656 -0.159,657 4.526,658 5.683,659 0.75,660 11.62,661 1.03,662 1.107,663 2.586,664 6.689,665 0.786,666 3.135,667 3.526,668 3.829,669 4.06,670 4.263,671 4.304,672 4.317,673 4.317,674 4.234,675 4.22,676 4.548,677 0.738,678 373.67,679 3.135,680 4.71,681 5.587,682 6.497,683 7.397,684 8.311,685 9.218,686 10.134,687 11.046,688 11.963,689 6.7,695 1,699 1,707 6,708 1,712 5,714 12,732 2,733 30,735 14,736 1,737 22,738 1,739 32,740 13,741 11,742 2,743 4,747 3,748 4,749 1,757 1,760 1,762 11,763 2,766 2,769 1,771 2,778 1,779 1,782 10,783 4,785 7,786 3,791 2,796 0.667,797 2,809 1,815 1,816 2,819 1,845 2,848 1,849 1,851 1,854 20,858 1,862 2,868 1,877 2,878 6.7,881 2,885 10.75,886 5.436,887 4.25,888 1.719,890 2.221,891 1.335,892 1.025,893 3.587,894 8.861,895 3.434,896 4.111,897 4.644,898 5.149,899 5.66,900 5.813,901 6.02,902 6.142,903 6.3,904 6.593,905 1,906 34,907 7.625,909 3.58,910 8.006,911 13.93,913 11.905,915 2.506,916 50.111,920 117.711,921 80.496,922 64.258,923 39.149,924 44.313,926 5.807,927 120.643,928 201.173,929 18.304,931 4.64,932 53.189,933 72.87,934 21.114,935 42.22,936 105.94,937 45.954,938 117.711,939 92.993,940 44.313,941 44.956,942 45.954,943 94.169,944 67.855,947 13.688,948 62.52,949 22.593,950 85.103,951 117.711,952 62.617,953 165.599,955 5.807,956 117.711,957 18.26,958 57.947,959 45.954,960 100.247,961 117.711,962 62.617,963 165.599,965 0.604,966 0.366,967 0.184,968 0.1,969 18,970 8,971 0.063,972 2,973 1,974 1.133,975 3.1,976 158.324,977 0.133,978 15,979 84.439,984 1,985 14.021,986 5.117,987 2.409,989 62.617,990 10.27,991 3.885,995 2.611,998 345.927,999 30,1002 -3.609,1004 25.365,1011 30.905,1012 33.197,1013 0.42,1014 0.748,1015 0.867,1016 0.946,1017 0.959,1018 0.959,1019 4.7,1020 1.036,1021 5.645,1022 3.432,1023 4.205,1024 4.796,1025 0.278,1026 6.575,1027 4.035,1028 5.973,1029 0.479,1030 7.298,1031 2.565,1032 4.111,1033 4.987,1035 7.96,1036 3.785,1037 7.356,1038 0.088,1039 9.073,1040 1.153,1041 5.969,1042 7.17,1043 0.05,1044 11.067,1045 5.647,1046 8.787,1047 -0.645,1048 10.923,1049 0.194,1050 6.698,1051 8.163,1053 13.282,1054 6.237,1055 10.256,1056 -0.794,1057 12.823,1058 -1.707,1059 8.12,1060 9.914,1061 0.008,1062 16.034,1063 7.643,1064 11.752,1065 -0.872,1066 14.757,1067 -1.935,1068 9.171,1069 11.225,1071 18.525,1072 8.582,1073 13.269,1074 -1,1075 16.716,1076 -2.172,1077 10.463,1078 12.838,1079 0.001,1080 21.19,1081 9.831,1082 3.57,1083 -1.221,1084 18.693,1085 -3,1086 11.639,1087 14.282,1089 23.775,1090 10.913,1091 2.887,1092 13.988,1093 20.684,1094 -3.255,1095 12.897,1096 15.85,1098 26.418,1099 12.11,1100 2.671,1101 9.676,1102 22.687,1103 4.787,1104 14.122,1105 17.354,1107 29.036,1108 13.25,1109 1.837,1110 8.058,1111 24.698,1112 3.854,1113 15.377,1114 18.91,1116 31.674,1117 14.434,1118 1.546,1119 5.812,1120 26.716,1121 3.687,1122 16.624,1123 20.442,1125 34.304,1126 15.599,1127 1.414,1128 4.167,1129 28.739,1130 2.415,1131 17.883,1132 21.997,1134 36.942,1135 16.781,1136 1.414,1137 3.54,1138 30.767,1139 2.126,1140 19.14,1141 23.545,1143 39.577,1144 17.957,1145 3356,1146 6824,1147 14.216,1148 23.585,1149 33.783,1150 35.518,1151 35.411,1152 34.196,1153 33.885,1154 45.522,1155 0.8,1156 105.167,1157 30.823,1158 5.872,1159 6.732,1160 7.418,1161 5.58,1162 5.57,1163 7.787,1164 0.8,1165 22.405,1166 5.297,1167 10.237,1168 1.536,1169 1.614,1170 1.61,1171 1.554,1172 1.54,1173 2.069,1174 0.036,1175 4.78,1176 1.401,1177 4.126,1178 4.12,1179 6.881,1180 4.095,1181 7.715,1182 4.021,1183 3.891,1184 3.906,1185 4.744,1186 3.846,1187 6.999,1188 3.823,1189 3.579,1190 3.568,1191 3.877,1192 3.528,1193 5.023,1194 3.447,1195 3.314,1196 3.348,1197 3.824,1198 3.198,1199 4.748,1200 3.166,1201 2.862,1202 2.921,1203 3.212,1204 2.762,1205 4.292,1206 2.738,1207 2.783,1208 2.84,1209 3.109,1210 2.685,1211 4.005,1212 2.639,1213 2.627,1214 2.642,1215 2.723,1216 2.508,1217 3.885,1218 2.481,1219 2.549,1220 2.626,1221 2.483,1222 2.421,1223 3.669,1224 2.399,1225 0.226,1226 0.215,1227 0.352,1228 0.204,1229 0.162,1230 4.967,1231 0.218,1232 4.732,1233 0.018,1234 7.736,1235 0.636,1236 4.497,1237 0.15,1238 3.57,1239 4.787,1240 0.4,1241 13.988,1242 3.297,1243 1.932,1244 1.944,1245 1.998,1246 2.008,1247 1.174,1248 2.039,1249 1.854,1250 1.836,1251 1.813,1252 1.929,1253 1.153,1254 1.951,1255 1.519,1256 1.497,1257 1.703,1258 1.697,1259 0.921,1260 1.715,1261 1.246,1262 1.241,1263 1.17,1264 1.392,1265 0.473,1266 1.435,1267 0.848,1268 0.807,1269 1.107,1270 1.004,1271 0.202,1272 1.035,1273 0.791,1274 0.723,1275 0.948,1276 0.979,1277 0.164,1278 1.019,1279 0.715,1280 0.659,1281 0.745,1282 0.922,1284 0.952,1285 0.483,1286 0.476,1287 0.686,1288 0.662,1290 0.688,1291 3.807,1293 5.176,1294 2.398,1295 6.751,1296 4.727,1297 8.415,1298 6.862,1299 10.123,1300 3.201,1302 5.805,1307 1.166,1313 1.416,1318 22.146,1319 61.882,1320 110.087,1321 127.597,1322 139.207,1323 141.207,1324 141.207,1325 38.647,1326 6.64,1327 50.27,1328 58.65,1329 17,1330 12.475,1331 3.907,1332 3.17,1333 29.81,1334 53,1335 54,1336 0.282,1337 148.685,1338 251.32,1339 354.551,1340 5610,1341 6.7,1342 14.328,1343 0.716,1344 0.671,1345 16.078,1346 13.412,1347 9.498,1348 0.432,1349 0.388,1350 6.053,1351 7.678,1352 5.734,1353 4.686,1354 11.153,1355 8.528,1356 9.178,1357 0.278,1358 0.226,1359 11.591,1360 7.474,1361 7.939,1362 0.176,1363 0.136,1364 10.654,1365 6.116,1366 6.182,1367 0.108,1368 0.076,1369 8.081,1370 4.309,1371 4.92,1372 0.07,1373 0.046,1374 7.046,1375 3.249,1376 0.421,1377 78.391,1378 0.265,1379 19.37,1380 0.844,1381 110,1382 360.48,1383 240.704,1384 435.663,1385 568.79,1386 398,1387 133,1388 339.799,1389 249.389,1390 403.676,1391 596.8,1392 378,1393 4.303}
{0 CHEMBL1308255,1 1.471,2 11.586,3 5.156,4 26.586,5 122.493,6 7.169,7 0.469,8 4.118,9 4.235,10 3.699,11 3.723,12 5.11,13 3.655,14 4.684,15 4.862,16 4.035,17 4.133,18 5.611,19 4.033,20 4.999,21 5.231,22 4.064,23 4.259,24 5.891,25 4.128,26 5.064,27 5.326,28 3.935,29 4.239,30 5.91,31 4.088,32 4.989,33 5.243,34 3.863,35 4.146,36 5.89,37 3.997,38 4.943,39 5.199,40 3.931,41 4.098,42 5.887,43 3.969,44 4.869,45 5.103,46 3.951,47 4.1,48 5.831,49 3.97,50 4.837,51 5.075,52 3.902,53 4.119,54 5.736,55 3.973,56 0.051,57 0.791,58 13.175,59 5.846,60 9.199,61 7.621,62 0.166,63 1.365,64 25.488,65 9.894,66 17.807,67 13.064,68 0.415,69 1.733,70 37.09,71 13.497,72 41.925,73 18.168,74 0.332,75 1.804,76 38.177,77 14.164,78 39.565,79 19.555,80 0.295,81 1.608,82 35.724,83 13.567,84 48.215,85 18.21,86 0.356,87 1.555,88 34.265,89 12.437,90 49.706,91 16.756,92 0.316,93 1.494,94 33.064,95 11.719,96 48.592,97 15.475,98 0.279,99 1.466,100 31.543,101 11.774,102 40.875,103 15.552,104 5,105 43,106 0.24,107 0.563,108 0.742,109 0.85,110 0.856,111 0.856,112 3.408,113 1.062,114 -4.13,115 -4.08,116 -3.86,119 42.1,121 4,125 4,127 1,134 2,141 6,142 2,149 2,150 2,155 1,171 11,174 6,182 11,186 8,189 2,194 9,198 1,199 4,207 7,213 1,218 5,221 6,225 1,226 6,231 5,234 4,239 9,244 2,247 3,251 4,259 11,267 1,271 16,274 1471,275 19.982,276 19.982,277 19.982,278 19.982,279 19.982,280 18.014,281 12.751,282 12.183,283 20.392,284 15.853,285 15.853,286 15.853,287 15.853,288 15.853,289 12.811,290 11.992,291 5.843,292 16.536,293 4.362,294 2.39,295 1.29,296 0.632,297 0.596,298 0.596,299 4.107,305 1,306 1,307 729,308 3.606,311 147.055,312 80.485,313 108.135,315 123.181,319 2.055,320 21.57,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 61,332 336,333 4.645,334 3.49,335 6.753,336 4.17,337 3.199,338 4.611,339 0.8,340 11.087,341 3.111,342 4.174,343 3.232,344 6.023,345 3.763,346 2.794,347 3.724,349 8.555,350 2.707,351 3.671,352 2.916,353 5.625,354 3.553,355 2.62,356 2.973,358 7.563,359 2.441,360 3.543,361 2.476,362 5.438,363 3.212,364 2.264,365 2.774,367 6.994,368 2.143,369 3.389,370 2.2,371 4.988,372 3.017,373 2.041,374 2.56,376 5.741,377 1.987,378 3.236,379 2.09,380 4.638,381 2.772,382 1.81,383 2.496,385 4.838,386 1.736,387 3.012,388 1.891,389 4.308,390 2.72,391 1.742,392 2.055,394 4.201,395 1.678,396 2.732,397 1.635,398 3.733,399 2.519,400 1.55,401 1.807,403 3.304,404 1.495,405 2.593,406 1.298,407 3.657,408 2.237,409 1.247,410 1.588,412 2.819,413 1.233,414 2.518,415 1.262,416 3.588,417 2.224,418 1.233,419 1.479,421 2.606,422 1.221,423 2.288,424 1.105,425 3.414,426 2.017,427 1.043,428 1.247,430 2.567,431 1.011,432 2.247,433 1.033,434 3.288,435 1.795,436 0.829,437 1.172,439 1.983,440 0.789,441 2.118,442 0.711,443 3,444 1.464,445 0.618,446 0.927,448 1.372,449 0.507,450 2.045,451 0.618,452 2.931,453 1.331,454 0.313,455 0.509,457 0.733,458 0.314,459 1.186,460 0.32,461 2.791,462 1.106,463 0.137,464 0.143,466 0.321,467 0.132,468 14.3,469 0.493,470 0.554,471 0.019,472 33,473 1.138,474 15,475 0.517,476 18,477 0.621,478 27.814,479 0.959,480 31.3,481 0.549,482 23.363,483 0.806,484 6.109,485 0.211,486 8.094,487 0.279,488 0.047,490 0.266,493 0.803,494 1.225,495 0.814,496 0.982,497 0.702,498 0.973,499 0.997,500 1.114,501 0.992,502 0.995,503 0.66,504 1.008,505 0.958,506 1.01,507 0.93,508 0.955,509 0.874,510 0.974,511 0.947,512 0.891,513 0.837,514 0.871,515 0.778,516 0.95,517 1.174,518 0.988,519 0.831,520 0.911,521 1.198,522 0.961,523 1.238,524 0.903,525 0.741,526 0.783,527 1.197,528 0.834,529 1.384,530 0.978,531 0.92,532 0.881,533 1.28,534 0.895,535 1.157,536 0.867,537 0.939,538 0.839,539 1.138,540 0.897,541 4.5,542 0.086,543 2.667,544 2.042,545 0.882,546 0.809,547 0.569,548 0.447,549 0.246,550 0.141,551 11603,552 26006,553 2.132,554 49.1,555 4,556 17,557 2,559 1,561 4,564 1.72,565 2.047,566 3.517,567 -0.405,573 83.83,574 1.471,575 3.443,576 4.543,577 5.201,578 5.236,579 5.236,580 2.97,581 4.168,582 4.827,583 3.712,584 1507.18,585 8.413,586 20947.8,591 332.475,592 1.178,593 4.812,594 0.141,595 0.004,596 0.062,597 0.047,598 0.023,599 0.023,600 0.015,601 0.012,602 0.007,603 0.005,604 0.339,605 0.33,606 1,607 0.434,608 148.598,609 -0.021,610 -0.095,611 0.069,612 0.032,613 -0.044,614 0.03,615 -0.098,616 0.005,617 -0.039,618 -0.008,620 -0.035,621 0.066,622 0.005,623 -0.005,624 -0.016,625 0.03,626 -0.01,627 -0.017,628 0.085,629 0.002,630 0.005,631 0.059,632 0.006,633 -0.036,634 -0.065,635 0.024,636 -0.014,637 -0.034,638 0.003,639 0.033,640 0.049,641 0.134,642 0.1,643 0.026,644 0.112,645 -0.098,646 0.015,647 0.054,648 0.07,649 -0.048,650 0.062,651 -0.125,652 0.139,653 0.02,654 0.123,655 -0.096,656 0.075,657 1.742,658 5.32,659 0.724,660 31.025,661 0.99,662 1.118,663 2.903,664 8.425,665 0.675,666 3.497,667 3.784,668 4.043,669 4.304,670 4.431,671 4.543,672 4.615,673 4.736,674 4.804,675 4.86,676 7.087,677 0.623,678 408.61,679 3.497,680 5.017,681 5.855,682 6.718,683 7.574,684 8.446,685 9.312,686 10.189,687 11.062,688 11.944,689 3.5,692 1,697 1,706 2,707 8,711 1,712 2,713 1,714 15,719 1,733 57,735 17,736 1,737 32,739 60,740 24,741 12,742 2,743 4,744 3,747 4,748 5,757 4,760 5,762 15,763 9,766 2,771 1,773 2,775 1,782 28,783 3,784 1,785 5,786 1,791 2,796 0.75,797 2,799 1,811 1,815 2,816 1,817 1,819 1,835 2,841 1,843 1,845 3,848 1,854 29,861 1,862 8,867 1,868 1,873 1,878 3.5,879 1,881 1,885 14.167,886 9.85,887 6.444,888 3.66,890 3.17,891 1.422,892 0.969,893 6.832,894 10.69,895 3.75,896 4.297,897 4.9,898 5.49,899 5.899,900 6.268,901 6.661,902 7.062,903 7.241,904 7.564,905 0.875,906 43,907 10.813,909 4.601,910 7.586,911 21.281,913 17.932,915 2.086,916 60.5,919 1,920 317.82,921 156.74,922 5.023,924 67.828,926 31.278,927 125.462,928 385.648,929 5.023,931 18.561,932 135.19,933 30.278,934 10.782,935 27.045,936 325.555,938 317.82,939 130.485,940 67.828,941 31.278,943 270.735,944 72.229,945 42.683,947 23.584,948 87.949,949 18.952,950 31.278,951 317.82,952 72.852,953 156.74,956 317.82,957 64.233,958 97.53,960 67.828,961 317.82,962 72.852,963 156.74,965 0.569,966 0.329,967 0.183,968 0.092,969 20,970 8,971 0.117,972 7,973 1,974 1.095,975 4.187,976 248.995,977 0.095,978 21,979 134.881,981 1,985 20.367,986 9.728,987 5.175,988 2.19,989 70.953,990 15.883,994 1.458,995 1.755,996 2.118,997 42.683,998 547.411,999 41.5,1004 12.32,1006 3.535,1008 0.026,1011 56.421,1012 63.733,1013 0.252,1014 0.59,1015 0.779,1016 0.892,1017 0.898,1018 0.898,1019 4.968,1020 1.55,1021 5.808,1022 4.201,1023 4.466,1024 4.984,1025 0.673,1026 6.581,1027 4.388,1028 6.139,1029 1.247,1030 7.335,1031 3.304,1032 3.892,1033 4.663,1034 0.325,1035 7.402,1036 3.769,1037 7.421,1038 1.233,1039 8.967,1040 2.819,1041 6.009,1042 7.157,1043 0.379,1044 10.529,1045 5.859,1046 8.744,1047 1.043,1048 10.664,1049 2.606,1050 6.33,1051 7.833,1052 0.268,1053 12.27,1054 6.134,1055 10.11,1056 0.829,1057 12.406,1058 2.567,1059 7.85,1060 9.719,1061 0.239,1062 14.89,1063 7.636,1064 11.506,1065 0.618,1066 14.18,1067 1.983,1068 8.603,1069 10.865,1070 0.188,1071 17.015,1072 8.349,1073 12.928,1074 0.313,1075 15.977,1076 1.372,1077 9.881,1078 12.518,1079 0.156,1080 19.476,1081 9.61,1082 3.199,1083 0.137,1084 17.793,1085 0.733,1086 10.842,1087 13.879,1088 0.125,1089 21.762,1090 10.538,1091 2.794,1092 11.087,1093 19.622,1094 0.321,1095 12.026,1096 15.445,1097 0.102,1098 24.177,1099 11.703,1100 2.62,1101 8.555,1102 21.464,1103 4.611,1104 13.085,1105 16.898,1106 0.082,1107 26.53,1108 12.733,1109 2.264,1110 7.563,1111 23.314,1112 3.724,1113 14.236,1114 18.434,1115 0.066,1116 28.933,1117 13.863,1118 2.041,1119 6.994,1120 25.173,1121 2.973,1122 15.341,1123 19.927,1124 0.054,1125 31.314,1126 14.941,1127 1.81,1128 5.741,1129 27.039,1130 2.774,1131 16.484,1132 21.454,1133 0.043,1134 33.715,1135 16.062,1136 1.742,1137 4.838,1138 28.911,1139 2.56,1140 17.611,1141 22.964,1142 0.035,1143 36.109,1144 17.163,1145 10932,1146 16594,1147 21.959,1148 38.466,1149 48.109,1150 47.999,1151 47.728,1152 46.923,1153 46.878,1154 60.13,1155 1.6,1156 129.366,1157 45.005,1158 5.615,1159 5.49,1160 6.551,1161 5.228,1162 5.199,1163 7.611,1164 1.2,1165 18.145,1166 5.111,1167 9.743,1168 1.503,1169 1.5,1170 1.491,1171 1.466,1172 1.465,1173 1.879,1174 0.05,1175 4.043,1176 1.406,1177 4.152,1178 4.185,1179 4.231,1180 4.071,1181 7.428,1182 4.076,1183 3.879,1184 3.927,1185 4.103,1186 3.912,1187 6.449,1188 3.835,1189 3.857,1190 3.878,1191 3.724,1192 3.706,1193 4.929,1194 3.699,1195 3.592,1196 3.647,1197 3.466,1198 3.451,1199 4.638,1200 3.444,1201 3.505,1202 3.539,1203 3.45,1204 3.41,1205 4.336,1206 3.404,1207 3.314,1208 3.38,1209 3.211,1210 3.14,1211 4.307,1212 3.147,1213 3.278,1214 3.364,1215 3.057,1216 3.125,1217 4.079,1218 3.097,1219 3.128,1220 3.191,1221 2.983,1222 2.934,1223 3.806,1224 2.933,1225 0.145,1226 0.109,1227 0.211,1228 0.13,1229 0.1,1230 4.645,1231 0.144,1232 3.49,1233 0.025,1234 6.753,1235 0.346,1236 4.17,1237 0.097,1238 3.199,1239 4.611,1240 0.8,1241 11.087,1242 3.111,1243 1.948,1244 1.925,1245 2.041,1246 2.041,1247 1.336,1248 2.041,1249 1.759,1250 1.718,1251 1.975,1252 1.94,1253 1.285,1254 1.945,1255 1.712,1256 1.647,1257 1.939,1258 1.873,1259 1.177,1260 1.912,1261 1.673,1262 1.63,1263 1.825,1264 1.835,1265 1.069,1266 1.837,1267 1.539,1268 1.494,1269 1.719,1270 1.702,1271 0.852,1272 1.709,1273 1.433,1274 1.398,1275 1.621,1276 1.557,1277 0.711,1278 1.585,1279 1.325,1280 1.305,1281 1.429,1282 1.448,1283 0.62,1284 1.472,1285 1.109,1286 1.056,1287 1.256,1288 1.254,1289 0.528,1290 1.301,1291 4.174,1293 5.468,1294 3.045,1295 6.932,1296 5.416,1297 8.482,1298 7.506,1299 10.085,1306 10.725,1307 8.505,1312 -0.409,1313 2.393,1318 35.508,1319 83.83,1320 196.259,1321 258.965,1322 296.475,1323 298.475,1324 298.475,1325 50.799,1326 7.52,1327 45.47,1328 73.71,1329 23,1330 12.481,1331 4.17,1332 3.392,1333 44.667,1334 121,1335 110,1336 0.175,1337 220.706,1338 378.59,1339 530.282,1340 19999,1342 20.054,1343 0.692,1344 0.603,1345 20.407,1346 17.482,1347 14.204,1348 0.444,1349 0.354,1350 10.435,1351 13.384,1352 10.144,1353 8.385,1354 14.658,1355 11.327,1356 12.401,1357 0.288,1358 0.203,1359 12.985,1360 8.745,1361 10.304,1362 0.184,1363 0.115,1364 11.02,1365 6.457,1366 8.721,1367 0.119,1368 0.065,1369 9.342,1370 4.772,1371 6.465,1372 0.078,1373 0.036,1374 6.725,1375 2.993,1376 0.277,1377 92.104,1378 0.213,1379 27.838,1380 0.475,1381 150,1382 368.036,1383 180.986,1384 380.647,1385 520.6,1386 358,1387 174,1388 361.591,1389 202.688,1390 383.163,1391 560.53,1392 362,1393 5.079}
{0 CHEMBL1308404,1 1.998,2 8.048,3 3.241,4 10.506,5 74.445,6 10.953,7 0.696,8 3.544,9 3.614,10 3.4,11 3.057,12 4.985,13 3.112,14 3.941,15 4.013,16 3.779,17 3.434,18 5.496,19 3.483,20 4.155,21 4.276,22 3.861,23 3.491,24 5.54,25 3.528,26 4.232,27 4.378,28 3.942,29 3.38,30 5.788,31 3.449,32 4.075,33 4.205,34 3.672,35 3.239,36 5.7,37 3.287,38 3.844,39 3.95,40 3.639,41 3.172,42 5.468,43 3.21,44 3.826,45 3.957,46 3.382,47 3.011,48 5.354,49 3.051,50 3.57,51 3.687,52 2.996,53 2.546,54 5.107,55 2.635,56 0.295,57 0.439,58 1.772,59 1.982,60 21.936,61 1.54,62 0.425,63 0.657,64 2.095,65 3.321,66 52.75,67 2.713,68 0.584,69 0.747,70 7.159,71 4.203,72 55.651,73 3.581,74 0.776,75 0.723,76 10.762,77 4.324,78 65.65,79 4.111,80 0.795,81 0.576,82 10.601,83 4.044,84 87.281,85 3.783,86 0.518,87 0.486,88 6.108,89 3.26,90 51.993,91 2.533,92 0.543,93 0.439,94 9.049,95 3.286,96 62.918,97 2.612,98 0.516,99 0.297,100 7.53,101 2.279,102 62.11,103 1.161,104 18,105 33,106 0.375,107 0.675,108 0.772,109 0.836,110 0.836,111 0.836,112 3.104,113 0.794,114 -3.48,115 -3.46,116 -3.31,119 42.9,141 5,143 5,145 2,164 4,171 2,173 2,179 5,182 3,185 1,186 3,189 1,191 4,194 2,198 4,199 6,202 3,204 1,207 2,212 4,213 3,216 2,217 1,221 2,226 10,234 2,239 10,244 1,247 2,251 4,254 1,267 3,269 1,274 553,275 13.93,276 13.93,277 13.93,278 13.93,279 13.93,280 11.648,281 16.154,282 8.078,283 14.251,284 11.339,285 11.339,286 11.339,287 11.339,288 11.339,289 7.981,290 23.285,291 3.815,292 11.928,293 2.81,294 1.213,295 0.7,296 0.357,297 0.357,298 0.357,299 3.779,302 1,305 1,306 1,307 362,308 2.739,311 45.3,312 112.118,315 80.854,319 1.102,320 32.166,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 48.333,332 169,333 4.717,334 3.84,335 6.933,336 4.231,337 3.271,338 4.684,339 2.612,340 11.661,341 3.131,342 4.068,343 3.238,344 6.081,345 3.624,346 2.664,347 3.684,348 0.4,349 8.582,350 2.558,351 3.986,352 2.821,353 5.511,354 3.461,355 2.514,356 3.593,358 7.312,359 2.368,360 3.6,361 2.549,362 5.208,363 3.145,364 2.206,365 3.006,367 6.308,368 2.054,369 3.374,370 2.41,371 4.878,372 2.907,373 1.968,374 2.693,376 5.563,377 1.822,378 3.232,379 2.091,380 4.566,381 2.58,382 1.63,383 2.504,385 4.244,386 1.511,387 2.612,388 1.265,389 3.753,390 2.102,391 1.114,392 1.657,394 2.621,395 1.098,396 2.5,397 1,398 3.438,399 2,400 1,401 1.5,403 2.275,404 1,405 2.188,406 1,407 3.414,408 1.652,409 0.748,410 1.054,412 1.951,413 0.643,414 1.564,415 0.95,416 3.102,417 1.17,418 0.225,419 0.287,421 0.573,422 0.211,423 1.273,424 0.542,425 2.742,426 0.814,427 -0.084,428 -0.11,430 -0.211,431 -0.067,432 1,433 0.382,434 2.396,435 0.4,436 -0.485,437 -0.587,439 -1.212,440 -0.391,441 0.808,442 -0.061,443 2,445 -1,446 -1.277,448 -2,449 -0.875,450 0.5,451 -0.651,452 1.862,454 -1,455 -1.498,457 -2.668,458 -0.969,459 0.398,460 -0.907,461 1.704,462 -0.032,463 -1,464 -1.5,466 -2.871,467 -1,468 9.648,469 0.459,470 0.613,471 0.029,472 32.25,473 1.536,474 18,475 0.857,476 14.25,477 0.679,478 11.976,479 0.57,480 22.152,481 0.791,482 22.87,483 1.089,484 6.547,485 0.312,486 3.511,487 0.167,488 0.178,490 0.404,493 0.558,494 0.888,495 0.498,496 0.609,497 0.648,498 0.632,499 0.626,500 1.346,501 0.57,502 1.043,503 0.461,504 0.945,505 0.868,506 1.251,507 0.951,508 1.151,509 0.766,510 1.112,511 0.762,512 0.933,513 0.777,514 0.981,515 0.84,516 0.937,517 0.874,518 0.7,519 0.931,520 0.824,521 1.252,522 0.92,523 0.933,524 1.054,525 0.981,526 1.117,527 0.832,528 1.028,529 1.425,530 1.081,531 1.439,532 1.157,533 1.415,534 1.13,535 2.08,536 0.937,537 1.858,538 1.112,539 2.037,540 1.219,541 4.5,542 0.02,543 2.444,544 1.618,545 1.533,546 0.934,547 0.451,548 0.252,549 0.206,550 0.062,551 3950,552 17620,553 2.045,554 25,556 5,559 2,564 1.637,565 1.881,566 2.958,567 0.519,569 1,571 1,573 55.935,574 1.998,575 3.594,576 4.107,577 4.45,578 4.45,579 4.45,580 2.398,581 3.916,582 4.365,583 3.102,584 651.385,585 7.503,586 6722.38,587 1,588 1,589 1,590 1,591 134.606,592 1.51,593 4.305,594 0.196,595 0.01,596 0.074,597 0.049,598 0.048,599 0.036,600 0.02,601 0.013,602 0.017,603 0.009,604 0.472,605 0.5,606 1,607 0.874,608 92.974,609 0.156,610 0.255,611 -0.007,612 0.246,613 -0.063,614 0.102,615 0.055,616 -0.261,617 0.012,618 -0.151,619 0.178,620 -0.139,621 -0.108,622 -0.227,623 -0.059,624 -0.214,625 -0.091,626 -0.165,627 0.177,628 0.046,629 0.243,630 -0.035,631 0.058,632 0.086,633 0.191,634 0.204,635 0.071,636 0.176,637 -0.044,638 0.142,639 -0.029,640 -0.112,641 0.107,642 -0.103,643 0.099,644 -0.03,645 -0.403,646 -0.205,647 -0.233,648 -0.119,649 -0.264,650 -0.055,651 -0.749,652 -0.102,653 -0.613,654 -0.099,655 -0.664,656 -0.243,657 2.592,658 4.262,659 0.714,660 13.81,661 1.065,662 1.129,663 2.254,664 5.078,665 0.722,666 3.178,667 3.526,668 3.807,669 4.111,670 4.304,671 4.382,672 4.382,673 4.466,674 4.466,675 4.344,676 4.834,677 0.744,678 306.68,679 3.178,680 4.727,681 5.587,682 6.485,683 7.367,684 8.27,685 9.161,686 10.067,687 10.962,688 11.87,689 14.3,697 1,699 2,700 1,706 2,707 5,708 2,710 1,712 5,714 16,725 1,726 1,729 1,732 1,733 28,735 18,736 2,737 23,739 30,740 12,741 12,742 7,743 5,747 3,748 4,749 1,762 12,766 2,768 1,771 2,779 1,782 7,783 7,784 2,785 9,786 1,791 4,796 0.667,797 4,815 1,816 2,819 1,845 2,851 1,854 21,861 1,864 1,877 1,878 14.3,880 1,883 1,884 2,885 11.167,886 5.11,887 4.556,888 1.466,890 3.301,891 1.487,892 0.956,893 3.467,894 10.081,895 3.526,896 4.216,897 4.829,898 5.493,899 6.013,900 6.365,901 6.7,902 7.094,903 7.323,904 7.568,905 1,906 33,907 7.673,909 3.393,910 8.347,911 13.644,913 10.958,915 2.847,916 59.778,920 58.856,921 63.44,922 62.874,923 39.149,924 103.391,927 63.44,928 201.395,929 62.874,930 5.67,932 47.381,933 81.877,934 44.031,936 58.856,937 89.896,938 58.856,939 126.314,940 103.391,941 39.149,943 58.856,944 52.644,945 50.747,947 22.299,948 59.152,949 84.012,951 58.856,952 166.265,953 102.589,956 58.856,957 16.059,958 53.051,959 18.011,960 181.733,961 58.856,962 166.265,963 102.589,965 0.59,966 0.345,967 0.194,968 0.106,969 17,970 8,971 0.1,972 3,973 1,974 1.133,975 3.235,976 165.988,977 0.133,978 15,979 86.239,985 13.761,986 5.291,987 2.541,988 0.091,989 160.595,990 7.41,991 7.063,993 4.508,995 0.674,997 60.694,998 327.71,999 33,1001 -0.592,1004 22.525,1011 29.807,1012 31.605,1013 0.416,1014 0.748,1015 0.854,1016 0.926,1017 0.926,1018 0.926,1019 4.754,1020 1,1021 5.595,1022 2.621,1023 4.205,1024 4.902,1025 2.527,1026 6.441,1027 4.105,1028 6.006,1029 0.748,1030 7.177,1031 2.275,1032 3.892,1033 4.89,1034 2.361,1035 7.431,1036 3.704,1037 7.345,1038 0.225,1039 8.861,1040 1.951,1041 5.826,1042 7.229,1043 4.155,1044 10.56,1045 5.639,1046 8.721,1047 -0.084,1048 10.604,1049 0.573,1050 6.312,1051 8.033,1052 4.506,1053 12.405,1054 6.043,1055 10.128,1056 -0.485,1057 12.388,1058 -0.211,1059 7.751,1060 9.865,1061 5.948,1062 15.078,1063 7.478,1064 11.557,1065 -1,1066 14.2,1067 -1.212,1068 8.603,1069 11.05,1070 6.556,1071 17.281,1072 8.262,1073 13.005,1074 -1,1075 16.035,1076 -2,1077 9.86,1078 12.692,1079 7.794,1080 19.807,1081 9.502,1082 3.271,1083 -1,1084 17.887,1085 -2.668,1086 10.886,1087 14.064,1088 8.548,1089 22.159,1090 10.47,1091 2.664,1092 11.661,1093 19.753,1094 -2.871,1095 12.079,1096 15.634,1097 9.67,1098 24.636,1099 11.636,1100 2.514,1101 8.582,1102 21.631,1103 4.684,1104 13.186,1105 17.094,1106 10.509,1107 27.049,1108 12.691,1109 2.206,1110 7.312,1111 23.518,1112 3.684,1113 14.361,1114 18.64,1115 11.563,1116 29.511,1117 13.832,1118 1.968,1119 6.308,1120 25.413,1121 3.593,1122 15.506,1123 20.143,1124 12.452,1125 31.948,1126 14.929,1127 1.63,1128 5.563,1129 27.315,1130 3.006,1131 16.679,1132 21.682,1133 13.468,1134 34.405,1135 16.063,1136 1.114,1137 4.244,1138 29.221,1139 2.693,1140 17.842,1141 23.205,1142 14.386,1143 36.853,1144 17.181,1145 3904,1146 8402,1147 15.027,1148 20.222,1149 34.984,1150 36.225,1151 36.38,1152 34.873,1153 34.681,1154 49.324,1155 6.025,1156 102.179,1157 32.794,1158 5.486,1159 5.84,1160 6.405,1161 5.256,1162 5.271,1163 7.684,1164 4.612,1165 19.195,1166 5.131,1167 11.004,1168 1.521,1169 1.575,1170 1.582,1171 1.516,1172 1.508,1173 2.145,1174 0.262,1175 4.443,1176 1.426,1177 4.113,1178 4.135,1179 4.167,1180 3.967,1181 7.815,1182 3.99,1183 3.882,1184 3.907,1185 3.832,1186 3.795,1187 6.999,1188 3.798,1189 3.57,1190 3.587,1191 3.662,1192 3.116,1193 6.471,1194 3.211,1195 3.305,1196 3.343,1197 3.438,1198 3.031,1199 5.397,1200 3.08,1201 3.006,1202 3.036,1203 3.146,1204 2.764,1205 4.787,1206 2.803,1207 2.854,1208 2.925,1209 2.777,1210 2.735,1211 4.651,1212 2.715,1213 2.667,1214 2.688,1215 2.687,1216 2.41,1217 4.186,1218 2.467,1219 2.299,1220 2.359,1221 2.265,1222 1.824,1223 3.674,1224 1.93,1225 0.205,1226 0.167,1227 0.301,1228 0.184,1229 0.142,1230 4.717,1231 0.204,1232 3.84,1233 0.114,1234 6.933,1235 0.507,1236 4.231,1237 0.136,1238 3.271,1239 4.684,1240 2.612,1241 11.661,1242 3.131,1243 1.951,1244 1.93,1245 2.01,1246 2.104,1247 1.137,1248 2.062,1249 1.835,1250 1.815,1251 1.896,1252 1.953,1253 1.018,1254 1.94,1255 1.226,1256 1.209,1257 1.225,1258 1.659,1259 0.231,1260 1.549,1261 1.043,1262 0.996,1263 1.181,1264 1.432,1265 0.218,1266 1.287,1267 0.886,1268 0.821,1269 1.178,1270 1.294,1271 0.131,1272 1.233,1273 0.828,1274 0.806,1275 0.944,1276 1.062,1278 1.107,1279 0.756,1280 0.724,1281 0.81,1282 0.998,1284 0.981,1285 0.355,1286 0.319,1287 0.678,1288 0.763,1290 0.75,1291 3.85,1293 5.187,1294 2.398,1295 6.718,1296 4.595,1297 8.347,1298 6.629,1299 10.034,1302 6.007,1306 9.235,1309 2.857,1318 20.826,1319 55.935,1320 100.632,1321 114.996,1322 124.606,1323 124.606,1324 124.606,1325 41.82,1326 6.78,1327 117,1328 117,1329 17,1330 12.389,1331 4.248,1332 3.459,1333 32.007,1334 59,1335 70,1336 0.268,1337 131.774,1338 219.63,1339 313.289,1340 6836,1341 3.6,1342 14.983,1343 0.713,1344 0.525,1345 15.483,1346 11.034,1347 10.059,1348 0.437,1349 0.265,1350 5.615,1351 9.131,1352 5.537,1353 4.563,1354 10.347,1355 6.09,1356 9.415,1357 0.285,1358 0.138,1359 9.785,1360 4.552,1361 7.61,1362 0.173,1363 0.07,1364 7.942,1365 3.082,1366 6.646,1367 0.111,1368 0.035,1369 7.004,1370 2.105,1371 5.164,1372 0.071,1373 0.018,1374 5.462,1375 1.341,1376 0.403,1377 68.319,1378 0.258,1379 20.364,1380 0.787,1381 112,1382 464.828,1383 144.229,1384 470.743,1385 615.67,1386 430,1387 133,1388 444.285,1389 162.747,1390 443.875,1391 638.21,1392 414,1393 5.196}
{0 CHEMBL1308497,1 1.862,2 11.1,3 3.293,4 10.845,5 102.884,6 9.009,7 0.364,8 3.973,9 4.071,10 3.68,11 3.498,12 5.268,13 3.527,14 4.51,15 4.645,16 4.086,17 3.907,18 5.907,19 3.924,20 4.845,21 5.029,22 4.284,23 4.077,24 6.173,25 4.105,26 4.925,27 5.108,28 4.284,29 3.992,30 6.672,31 4.024,32 4.72,33 4.904,34 3.998,35 3.849,36 6.128,37 3.86,38 4.565,39 4.714,40 3.935,41 3.75,42 6.314,43 3.757,44 4.495,45 4.687,46 3.761,47 3.679,48 5.92,49 3.658,50 4.393,51 4.607,52 3.692,53 3.505,54 5.712,55 3.521,56 0.274,57 0.846,58 5.984,59 3.984,60 33.677,61 4.181,62 0.578,63 1.363,64 12.882,65 6.976,66 89.788,67 7.814,68 0.903,69 1.817,70 23.279,71 9.217,72 126.318,73 10.726,74 1.725,75 1.871,76 27.624,77 9.319,78 291.302,79 10.436,80 1.101,81 1.347,82 22.981,83 8.284,84 168.641,85 9.002,86 1.101,87 1.237,88 17.138,89 7.13,90 199.131,91 7.522,92 0.806,93 1.226,94 17.633,95 7.225,96 128.326,97 8.312,98 0.628,99 1.069,100 16.983,101 6.011,102 89.14,103 7.285,104 38,105 48,106 0.315,107 0.658,108 0.791,109 0.884,110 0.891,111 0.891,112 3.441,113 0.849,114 -4.87,115 -4.78,116 -4.48,119 43.5,121 4,125 1,141 5,142 2,143 5,156 3,164 2,171 6,173 3,174 9,177 1,179 3,182 5,186 11,191 2,194 4,198 1,199 13,204 1,207 5,212 1,213 7,216 4,218 1,221 8,225 2,229 2,234 7,238 3,239 5,244 2,247 6,251 6,256 2,259 2,264 9,271 2,274 1348,275 19.913,276 19.913,277 19.913,278 19.913,279 19.913,280 17.686,281 27.27,282 11.441,283 20.228,284 16.225,285 16.225,286 16.225,287 16.225,288 16.225,289 12.706,290 33.11,291 5.372,292 16.768,293 3.662,294 1.635,295 0.85,296 0.304,297 0.261,298 0.261,299 4.134,305 1,306 1,307 718,308 3.464,312 210.504,313 87.956,316 99.792,317 125.019,319 1.64,320 65.645,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 69,332 333,333 4.584,334 3.852,335 6.843,336 4.194,337 3.224,338 4.322,339 2.612,340 11.184,341 3.128,342 4.52,343 3.815,344 6.776,345 4.16,346 3.192,347 4.12,348 1.506,349 11.072,350 3.083,351 4.063,352 3.633,353 6.065,354 3.641,355 2.677,356 3.576,357 1.058,358 8.586,359 2.573,360 3.91,361 3.029,362 6.007,363 3.519,364 2.552,365 3.276,366 1.041,367 8.376,368 2.459,369 3.549,370 3.013,371 5.338,372 3.181,373 2.218,374 2.795,375 0.227,376 6.792,377 2.134,378 3.481,379 2.751,380 5.28,381 3.071,382 2.094,383 2.706,385 6.341,386 2.03,387 3.246,388 2.62,389 4.808,390 2.813,391 1.848,392 2.479,394 5.026,395 1.767,396 3.17,397 2.283,398 4.616,399 2.594,400 1.622,401 2.365,403 4.22,404 1.578,405 2.705,406 1.776,407 4.159,408 2.55,409 1.579,410 1.719,412 3.513,413 1.499,414 2.667,415 1.631,416 3.82,417 2.338,418 1.355,419 1.661,421 3.346,422 1.329,423 2.618,424 1.612,425 3.763,426 2.132,427 1.136,428 1.634,430 2.772,431 1.124,432 2.244,433 1.331,434 3.532,435 1.904,436 0.888,437 1.134,439 2.129,440 0.896,441 1.678,442 1,443 3.098,444 1.275,445 0.292,446 0.366,448 0.749,449 0.283,450 1.313,451 0.902,452 2.905,453 0.988,454 0.037,455 0.043,457 0.095,458 0.035,459 1.269,460 0.822,461 2.651,462 0.814,463 -0.098,464 -0.128,466 -0.226,467 -0.086,468 13.505,469 0.45,470 0.895,471 0.03,472 40.5,473 1.35,474 20.5,475 0.683,476 20,477 0.667,478 23.851,479 0.795,480 32.695,481 0.711,482 34.772,483 1.159,484 7.859,485 0.262,486 6.504,487 0.217,488 0.141,490 0.429,492 2,493 0.494,494 1.027,495 0.582,496 0.989,497 0.494,498 0.876,499 0.516,500 1.057,501 0.667,502 1.089,503 0.475,504 0.994,505 0.8,506 1.079,507 0.742,508 1.01,509 0.707,510 0.884,511 0.843,512 0.922,513 0.96,514 0.996,515 0.787,516 1.01,517 1.033,518 0.704,519 1.034,520 0.877,521 1.139,522 0.939,523 0.817,524 0.972,525 1.036,526 1.056,527 0.815,528 1.133,529 0.85,530 1.107,531 1.001,532 1.114,533 0.821,534 1.13,535 0.895,536 1.125,537 0.815,538 1.06,539 0.794,540 0.934,541 6,542 0.268,543 4,544 3.25,545 2.293,546 1.333,547 0.536,548 0.435,549 0.401,550 0.277,551 11430,552 40919,553 2.048,554 34.8,555 4,556 7,559 1,560 2,561 2,564 1.728,565 1.875,566 3.441,567 -0.25,568 1,569 1,573 85.645,574 1.862,575 3.889,576 4.673,577 5.219,578 5.263,579 5.263,580 2.886,581 4.64,582 4.883,583 3.617,584 1573.27,585 8.513,586 21444.4,588 1,590 1,591 254.084,592 1.522,593 4.816,594 0.182,595 0.01,596 0.083,597 0.057,598 0.045,599 0.033,600 0.014,601 0.014,602 0.013,603 0.009,604 0.461,605 0.33,606 1,607 0.792,608 153.209,609 0.055,610 -0.045,611 0.035,612 0.025,613 0.006,614 0.016,615 0.111,616 -0.122,617 0.082,618 -0.085,619 0.111,620 -0.043,621 -0.039,622 -0.137,623 0.171,624 -0.035,625 -0.002,626 0.112,627 0.203,628 0.091,629 0.053,630 -0.046,631 0.248,632 -0.053,633 -0.091,634 0.142,635 -0.041,636 0.087,637 -0.166,638 0.054,639 0.153,640 -0.056,641 -0.112,642 -0.068,643 0.2,644 -0.177,645 0.027,646 -0.101,647 -0.021,648 -0.089,649 0.016,650 -0.084,651 -0.058,652 -0.198,653 0.211,654 -0.081,655 -0.016,656 0.12,657 3.231,658 6.276,659 0.7,660 26.133,661 1.042,662 1.139,663 3.641,664 13.258,665 0.675,666 3.526,667 3.892,668 4.205,669 4.489,670 4.71,671 4.852,672 4.905,673 5.05,674 5.187,675 5.278,676 6.701,677 0.683,678 414.4,679 3.526,680 5.094,681 5.969,682 6.87,683 7.759,684 8.665,685 9.559,686 10.466,687 11.362,688 12.27,689 8.7,696 2,698 1,700 1,707 5,712 7,714 12,720 1,721 1,726 1,732 2,733 46,735 17,736 2,737 33,739 49,740 20,741 12,742 7,743 5,744 3,747 4,748 7,757 4,760 4,762 15,763 5,766 5,768 1,771 4,774 1,775 3,779 1,780 2,782 16,783 9,784 1,785 10,791 4,793 1,796 0.5,797 4,816 3,817 1,820 1,821 1,845 2,852 2,854 30,862 5,864 1,868 1,877 2,878 8.7,881 2,884 2,885 16,886 8.469,887 6.5,888 2.919,890 2.937,891 1.366,892 0.996,893 5.314,894 10.956,895 3.807,896 4.419,897 4.984,898 5.552,899 6.047,900 6.368,901 6.642,902 6.942,903 7.234,904 7.512,905 1,906 57,907 11.375,909 5.347,910 8.422,911 20.207,913 16.948,915 2.922,916 87.667,919 1,920 176.567,921 104.246,922 43.591,924 101.037,925 29.92,927 104.246,928 277.603,929 73.511,930 5.67,931 33.379,932 47.381,933 62.027,934 49.669,935 29.92,936 176.567,937 50.747,938 176.567,939 147.836,940 130.957,943 182.945,944 73.832,945 50.747,947 50.164,948 92.002,949 5.67,951 206.487,952 144.627,953 104.246,956 176.567,957 56.864,958 56.176,959 18.011,960 147.743,961 176.567,962 174.548,963 104.246,965 0.594,966 0.361,967 0.2,968 0.103,969 24,970 12,971 0.061,972 3,973 2,974 1.19,975 3.965,976 278.043,977 0.19,978 21,979 145.207,985 20.118,986 7.925,987 3.722,989 168.878,990 5.678,995 -4.039,997 18.011,998 455.36,999 44,1001 -1.042,1004 47.013,1007 4.53,1008 -0.737,1011 47.927,1012 52.417,1013 0.337,1014 0.704,1015 0.846,1016 0.945,1017 0.953,1018 0.953,1019 5.075,1020 1.622,1021 5.984,1022 5.026,1023 4.575,1024 5.106,1025 3.022,1026 6.851,1027 4.509,1028 6.305,1029 1.579,1030 7.585,1031 4.22,1032 4.29,1033 5.085,1034 2.522,1035 7.867,1036 4.177,1037 7.64,1038 1.355,1039 9.288,1040 3.513,1041 6.225,1042 7.317,1043 4.322,1044 11.002,1045 6.092,1046 9.008,1047 1.136,1048 11.048,1049 3.346,1050 6.735,1051 8.077,1052 4.571,1053 12.821,1054 6.556,1055 10.407,1056 0.888,1057 12.845,1058 2.772,1059 8.172,1060 9.831,1061 5.996,1062 15.489,1063 7.973,1064 11.826,1065 0.292,1066 14.667,1067 2.129,1068 9.043,1069 10.942,1070 6.578,1071 17.639,1072 8.802,1073 13.263,1074 0.037,1075 16.507,1076 0.749,1077 10.297,1078 12.516,1079 7.808,1080 20.144,1081 10.032,1082 3.224,1083 -0.098,1084 18.361,1085 0.095,1086 11.329,1087 13.794,1088 8.555,1089 22.437,1090 11.027,1091 3.192,1092 11.184,1093 20.225,1094 -0.226,1095 12.516,1096 15.292,1097 9.674,1098 24.881,1099 12.187,1100 2.677,1101 11.072,1102 22.098,1103 4.322,1104 13.62,1105 16.652,1106 10.511,1107 27.237,1108 13.256,1109 2.552,1110 8.586,1111 23.977,1112 4.12,1113 14.785,1114 18.119,1115 11.565,1116 29.658,1117 14.393,1118 2.218,1119 8.376,1120 25.863,1121 3.576,1122 15.92,1123 19.52,1124 12.453,1125 32.042,1126 15.495,1127 2.094,1128 6.792,1129 27.752,1130 3.276,1131 17.08,1132 20.974,1133 13.468,1134 34.455,1135 16.624,1136 1.848,1137 6.341,1138 29.646,1139 2.795,1140 18.229,1141 22.396,1142 14.386,1143 36.853,1144 17.742,1145 10945,1146 21019,1147 21.501,1148 31.046,1149 50.206,1150 53.495,1151 52.574,1152 49.567,1153 49.432,1154 64.39,1155 12.888,1156 148.402,1157 47.839,1158 5.532,1159 5.852,1160 6.595,1161 5.267,1162 5.224,1163 7.322,1164 4.612,1165 18.719,1166 5.128,1167 17.284,1168 1.521,1169 1.621,1170 1.593,1171 1.502,1172 1.498,1173 1.951,1174 0.391,1175 4.497,1176 1.45,1177 4.056,1178 4.085,1179 4.032,1180 3.937,1181 8.211,1182 3.952,1183 3.98,1184 4.005,1185 3.956,1186 3.851,1187 8.191,1188 3.869,1189 3.757,1190 3.811,1191 3.653,1192 3.637,1193 7.814,1194 3.628,1195 3.552,1196 3.57,1197 3.537,1198 3.219,1199 7.43,1200 3.271,1201 3.373,1202 3.42,1203 3.299,1204 3.131,1205 7.426,1206 3.151,1207 3.301,1208 3.376,1209 3.168,1210 3.089,1211 6.999,1212 3.121,1213 3.182,1214 3.219,1215 3.094,1216 2.93,1217 4.829,1218 2.98,1219 2.966,1220 3.011,1221 2.846,1222 2.799,1223 4.445,1224 2.801,1225 0.139,1226 0.117,1227 0.207,1228 0.127,1229 0.098,1230 4.584,1231 0.131,1232 3.852,1233 0.079,1234 6.843,1235 0.339,1236 4.194,1237 0.095,1238 3.224,1239 4.322,1240 2.612,1241 11.184,1242 3.128,1243 1.957,1244 1.934,1245 2.024,1246 2.101,1247 1.323,1248 2.067,1249 1.896,1250 1.878,1251 1.966,1252 2.056,1253 1.174,1254 2.018,1255 1.707,1256 1.644,1257 1.948,1258 1.871,1259 1.065,1260 1.907,1261 1.564,1262 1.507,1263 1.753,1264 1.78,1265 1.003,1266 1.761,1267 1.269,1268 1.248,1269 1.347,1270 1.669,1271 0.44,1272 1.569,1273 1.101,1274 1.066,1275 1.232,1276 1.409,1277 0.366,1278 1.372,1279 1.032,1280 1.001,1281 1.195,1282 1.259,1283 0.263,1284 1.242,1285 0.89,1286 0.834,1287 1.168,1288 1.109,1289 0.162,1290 1.124,1291 4.205,1293 5.557,1295 7.106,1296 2.708,1297 8.754,1298 5.094,1299 10.458,1303 28.28,1307 4.071,1309 2.3,1313 1.612,1318 31.399,1319 85.645,1320 178.89,1321 214.964,1322 240.084,1323 242.084,1324 242.084,1325 91.946,1326 8.019,1327 109.81,1328 109.81,1329 25,1330 12.789,1331 4.17,1332 3.585,1333 47.099,1334 123,1335 100,1336 0.19,1337 189.328,1338 348.22,1339 453.721,1340 35747,1341 4.3,1342 21.413,1343 0.714,1344 0.522,1345 19.673,1346 15.653,1347 14.363,1348 0.435,1349 0.283,1350 9.158,1351 13.552,1352 9.08,1353 7.438,1354 13.525,1355 9.338,1356 13.372,1357 0.279,1358 0.146,1359 12.404,1360 6.994,1361 11.444,1362 0.173,1363 0.077,1364 10.539,1365 5.068,1366 10.031,1367 0.114,1368 0.041,1369 8.721,1370 3.58,1371 7.551,1372 0.069,1373 0.023,1374 7.394,1375 2.502,1376 0.298,1377 92.318,1378 0.216,1379 28.069,1380 0.524,1381 162,1382 694.433,1383 187.178,1384 607.698,1385 790.7,1386 558,1387 195,1388 565.896,1389 220.461,1390 549.064,1391 809.59,1392 516,1393 4.303}
{0 CHEMBL1309228,1 1.894,2 12,3 2.395,4 5.737,5 98.294,6 9.839,7 0.567,8 3.867,9 3.921,10 3.788,11 3.429,12 5.181,13 3.434,14 4.358,15 4.433,16 4.058,17 3.759,18 5.98,19 3.778,20 4.531,21 4.643,22 4.083,23 3.814,24 5.959,25 3.827,26 4.596,27 4.711,28 4.121,29 3.722,30 6.087,31 3.778,32 4.533,33 4.653,34 3.987,35 3.564,36 6.369,37 3.647,38 4.342,39 4.485,40 3.78,41 3.384,42 6.003,43 3.428,44 4.125,45 4.251,46 3.629,47 3.234,48 5.81,49 3.298,50 4.09,51 4.218,52 3.483,53 3.231,54 5.492,55 3.262,56 0.287,57 0.614,58 5.915,59 4.117,60 35.733,61 3.364,62 0.746,63 0.907,64 13.223,65 6.643,66 106.96,67 5.844,68 0.877,69 1.046,70 15.211,71 7.303,72 106.284,73 6.398,74 1.025,75 1.066,76 19.322,77 7.408,78 134.989,79 5.642,80 1.285,81 0.935,82 15.612,83 6.006,84 202.529,85 5.013,86 1.026,87 0.768,88 16.343,89 5.67,90 165.832,91 5.3,92 0.804,93 0.643,94 10.519,95 4.214,96 103.845,97 3.858,98 0.716,99 0.629,100 13.339,101 4.541,102 93.958,103 3.248,104 41,105 43,106 0.325,107 0.637,108 0.735,109 0.819,110 0.842,111 0.842,112 3.374,113 0.968,114 -4.77,115 -4.68,116 -4.4,119 41.5,124 1,125 1,141 8,142 2,143 2,156 1,159 2,164 3,171 9,173 5,174 5,182 8,185 2,186 15,194 4,198 3,199 17,212 8,213 11,225 5,226 8,238 4,239 7,247 1,250 2,251 4,259 4,263 5,264 2,271 7,274 1230,275 18.179,276 18.179,277 18.179,278 18.179,279 18.179,280 15.475,281 12.984,282 10.581,283 18.637,284 14.795,285 14.795,286 14.795,287 14.795,288 14.795,289 10.629,290 12.335,291 5.013,292 15.522,293 3.463,294 1.649,295 1.08,296 0.592,297 0.457,298 0.457,299 4.048,305 1,306 1,307 706,308 4.123,311 88.669,312 209.486,319 1.857,320 55.299,323 1,324 0.83,325 1,326 0.4,328 0.83,329 1,330 0.72,331 64.5,332 336,333 4.866,334 5.192,335 7.279,336 4.289,337 3.402,338 4.737,339 2.95,340 12.388,341 3.036,342 4.295,343 3.784,344 6.182,345 3.901,346 2.923,347 3.954,348 2.612,349 9.224,350 2.86,351 4.25,352 3.656,353 6.136,354 3.782,355 2.812,356 3.914,357 1.727,358 8.907,359 2.678,360 3.968,361 2.979,362 5.848,363 3.461,364 2.506,365 3.425,366 0.636,367 7.824,368 2.363,369 3.744,370 2.699,371 5.307,372 3.323,373 2.345,374 3.254,376 6.816,377 2.286,378 3.279,379 2.569,380 4.528,381 2.727,382 1.756,383 2.543,385 4.368,386 1.7,387 3.126,388 2.032,389 4.359,390 2.615,391 1.631,392 2.362,394 4.177,395 1.594,396 2.754,397 1.84,398 4.153,399 2.246,400 1.289,401 1.787,403 3.528,404 1.22,405 2.599,406 1.436,407 3.608,408 2.062,409 1.077,410 1.592,412 2.621,413 1.055,414 2.557,415 1.432,416 3.491,417 2,418 1,419 1.562,421 2.42,422 1,423 2.5,424 1.039,425 3.267,426 2,427 1,428 1.5,430 2.136,431 1,432 2.173,433 1,434 3.247,435 1.668,436 0.682,437 1.012,439 1.669,440 0.671,441 1.686,442 1,443 3.039,444 1.305,445 0.369,446 0.458,448 0.87,449 0.339,450 1.063,451 0.886,452 2.788,453 0.573,454 -0.395,455 -0.529,457 -1.056,458 -0.369,459 1,460 0.676,461 2.392,462 0.343,463 -0.654,464 -0.866,466 -1.512,467 -0.65,468 12.867,469 0.46,470 0.919,471 0.033,472 41.5,473 1.482,474 23.5,475 0.839,476 18,477 0.643,478 17.844,479 0.637,480 30.333,481 0.74,482 34.192,483 1.221,484 8.385,485 0.299,486 4.868,487 0.174,488 0.168,489 0.065,490 0.303,493 0.514,494 1.081,495 0.731,496 1.181,497 0.601,498 0.891,499 0.672,500 1.104,501 0.98,502 1.141,503 0.513,504 0.943,505 1.002,506 1.129,507 0.961,508 1.059,509 0.949,510 1.041,511 1.306,512 1.203,513 1.13,514 1.182,515 1.262,516 1.061,517 1.15,518 0.896,519 0.858,520 0.769,521 1.094,522 0.922,523 0.983,524 0.947,525 0.827,526 0.898,527 1.035,528 0.943,529 0.95,530 0.995,531 0.755,532 0.805,533 0.528,534 0.883,535 1.55,536 0.805,537 1.362,538 0.862,539 1.317,540 0.881,541 7,542 0.165,543 3.778,544 2.097,545 1.739,546 1.195,547 0.463,548 0.278,549 0.302,550 0.221,551 10051,552 40479,553 1.984,554 31.7,556 13,564 1.706,565 1.816,566 3.533,567 -0.601,568 1,569 1,573 77.661,574 1.894,575 3.709,576 4.278,577 4.766,578 4.9,579 4.9,580 2.937,581 4.28,582 4.781,583 3.731,584 1410.27,585 8.289,586 19255.5,588 1,590 1,591 219.66,592 1.678,593 4.706,594 0.233,595 0.007,596 0.088,597 0.05,598 0.042,599 0.032,600 0.017,601 0.011,602 0.013,603 0.009,604 0.502,605 0.17,606 0.88,607 0.92,608 142.616,609 0.134,610 0.072,611 0.178,612 -0.039,613 -0.073,614 -0.005,615 0.173,616 -0.063,617 -0.055,618 -0.07,619 0.221,620 -0.02,621 -0.113,622 -0.138,623 -0.064,624 -0.082,625 -0.115,626 -0.087,627 -0.245,628 -0.204,629 -0.127,630 -0.202,631 -0.233,632 -0.143,633 0.044,634 0.052,635 -0.041,636 0.028,637 0.161,638 -0.049,639 0.124,640 -0.041,641 0.148,642 0.006,643 0.079,644 0.055,645 0.13,646 -0.04,647 0.086,648 0.032,649 0.292,650 0.035,651 -0.422,652 0.177,653 -0.316,654 0.128,655 -0.309,656 0.058,657 4.744,658 5.146,659 0.607,660 27.776,661 1.051,662 1.121,663 3.54,664 12.534,665 0.699,666 3.434,667 3.784,668 3.989,669 4.205,670 4.369,671 4.369,672 4.431,673 4.317,674 4.382,675 4.407,676 7.187,677 0.705,678 403.4,679 3.434,680 4.99,681 5.826,682 6.711,683 7.568,684 8.452,685 9.317,686 10.201,687 11.07,688 11.953,689 7.3,699 2,700 1,707 8,708 2,710 1,712 6,714 17,723 1,726 1,733 41,735 22,736 2,737 30,739 43,740 17,741 14,742 4,743 8,744 1,747 3,748 3,762 15,763 2,766 5,768 1,769 1,771 5,775 1,779 1,782 13,783 9,785 11,786 1,791 3,796 1,797 7,815 1,816 2,845 3,848 1,850 1,854 28,857 1,862 1,865 1,878 17.1,881 3,883 2,884 2,885 15.417,886 7.85,887 6.028,888 2.139,890 3.24,891 1.451,892 0.959,893 5.542,894 10.428,895 3.795,896 4.446,897 4.934,898 5.481,899 5.959,900 6.166,901 6.507,902 6.471,903 6.753,904 6.849,905 0.875,906 42,907 10.631,909 4.952,910 8.432,911 18.468,913 14.837,915 2.932,916 82.083,919 1,920 153.024,921 121.549,922 38.996,924 140.712,926 6.046,927 115.503,928 293.736,929 38.996,930 12.86,931 4.592,932 81.856,933 120.015,934 31.186,936 153.024,937 50.747,938 153.024,939 154.499,940 140.712,941 6.046,943 153.024,944 89.965,945 50.747,947 14.632,948 100.87,949 45.042,951 153.024,952 179.708,953 121.549,955 6.046,956 153.024,957 32.502,958 88.67,960 174.038,961 153.024,962 179.708,963 121.549,965 0.594,966 0.332,967 0.171,968 0.095,969 20,970 10,971 0.163,972 7,974 1,975 3.918,976 232.637,978 17,979 126.606,984 1,985 19.677,986 7.886,987 4.622,989 174.038,990 11.939,991 7.618,993 5.395,995 -0.393,998 454.281,999 43.5,1001 -0.878,1002 -3.827,1004 57.62,1008 -0.9,1011 43.091,1012 45.957,1013 0.354,1014 0.692,1015 0.798,1016 0.89,1017 0.915,1018 0.915,1019 5.032,1020 1.289,1021 5.861,1022 4.177,1023 4.466,1024 5.133,1025 3.594,1026 6.708,1027 4.372,1028 6.294,1029 1.077,1030 7.456,1031 3.528,1032 4.29,1033 5.247,1034 2.361,1035 7.89,1036 4.075,1037 7.652,1038 1,1039 9.165,1040 2.621,1041 6.146,1042 7.458,1043 5.452,1044 10.904,1045 5.921,1046 9.051,1047 1,1048 10.942,1049 2.42,1050 6.758,1051 8.368,1052 4.506,1053 12.892,1054 6.388,1055 10.482,1056 0.682,1057 12.763,1058 2.136,1059 8.159,1060 10.117,1061 7.47,1062 15.52,1063 7.765,1064 11.938,1065 0.369,1066 14.615,1067 1.669,1068 9.096,1069 11.362,1070 6.556,1071 17.816,1072 8.556,1073 13.413,1074 -0.395,1075 16.49,1076 0.87,1077 10.345,1078 12.956,1079 9.551,1080 20.345,1081 9.753,1082 3.402,1083 -0.654,1084 18.383,1085 -1.056,1086 11.423,1087 14.351,1088 8.548,1089 22.766,1090 10.693,1091 2.923,1092 12.388,1093 20.289,1094 -1.512,1095 12.625,1096 15.896,1097 11.662,1098 25.275,1099 11.816,1100 2.812,1101 9.224,1102 22.208,1103 4.737,1104 13.769,1105 17.363,1106 10.509,1107 27.749,1108 12.828,1109 2.506,1110 8.907,1111 24.136,1112 3.954,1113 14.961,1114 18.895,1115 13.791,1116 30.256,1117 13.923,1118 2.345,1119 7.824,1120 26.073,1121 3.914,1122 16.137,1123 20.399,1124 12.452,1125 32.753,1126 14.971,1127 1.756,1128 6.816,1129 28.016,1130 3.425,1131 17.333,1132 21.932,1133 15.928,1134 35.263,1135 16.057,1136 1.631,1137 4.368,1138 29.966,1139 3.254,1140 18.525,1141 23.456,1142 14.386,1143 37.77,1144 17.123,1145 9849,1146 19991,1147 19.186,1148 28.653,1149 45.895,1150 49.337,1151 46.358,1152 45.709,1153 45.583,1154 64.205,1155 15.852,1156 133.895,1157 43.603,1158 5.742,1159 7.192,1160 7.081,1161 5.368,1162 5.402,1163 7.737,1164 5.9,1165 20.045,1166 5.036,1167 16.811,1168 1.53,1169 1.645,1170 1.545,1171 1.524,1172 1.519,1173 2.14,1174 0.528,1175 4.463,1176 1.453,1177 4.121,1178 4.104,1179 4.738,1180 4.104,1181 7.816,1182 4.02,1183 3.97,1184 3.991,1185 3.945,1186 3.863,1187 7.715,1188 3.867,1189 3.754,1190 3.748,1191 3.87,1192 3.65,1193 7.433,1194 3.592,1195 3.695,1196 3.699,1197 3.652,1198 3.45,1199 6.999,1200 3.496,1201 3.531,1202 3.539,1203 3.516,1204 3.097,1205 6.999,1206 3.198,1207 3.204,1208 3.223,1209 3.144,1210 2.932,1211 5.261,1212 2.969,1213 2.912,1214 2.96,1215 2.803,1216 2.769,1217 4.703,1218 2.769,1219 2.854,1220 2.925,1221 2.687,1222 2.735,1223 4.615,1224 2.715,1225 0.162,1226 0.173,1227 0.243,1228 0.143,1229 0.113,1230 4.866,1231 0.158,1232 5.192,1233 0.098,1234 7.279,1235 0.413,1236 4.289,1237 0.101,1238 3.402,1239 4.737,1240 2.95,1241 12.388,1242 3.036,1243 1.997,1244 2.011,1245 2.013,1246 2.112,1247 1.234,1248 2.109,1249 1.897,1250 1.872,1251 1.989,1252 1.983,1253 1.078,1254 1.993,1255 1.587,1256 1.613,1257 1.611,1258 1.761,1259 0.847,1260 1.784,1261 1.416,1262 1.395,1263 1.572,1264 1.747,1265 0.754,1266 1.677,1267 1.213,1268 1.194,1269 1.281,1270 1.602,1271 0.289,1272 1.541,1273 1.136,1274 1.096,1275 1.241,1276 1.399,1277 0.218,1278 1.341,1279 0.946,1280 0.916,1281 1.181,1282 1.233,1283 0.215,1284 1.183,1285 0.886,1286 0.821,1287 1.118,1288 1.062,1289 0.21,1290 1.107,1291 4.111,1293 5.451,1294 2.398,1295 6.969,1296 4.595,1297 8.566,1298 6.581,1299 10.208,1301 0.841,1307 -0.347,1310 5.016,1318 28.889,1319 77.661,1320 152.05,1321 175.395,1322 195.395,1323 200.905,1324 200.905,1325 79.165,1326 7.188,1327 145.18,1328 153.56,1329 17,1330 12.489,1331 4.524,1332 3.858,1333 49.987,1334 122,1335 116,1336 0.199,1337 181.874,1338 319.52,1339 435.532,1340 12861,1342 20.311,1343 0.725,1344 0.545,1345 20.561,1346 15.25,1347 13.253,1348 0.442,1349 0.323,1350 7.781,1351 11.702,1352 7.46,1353 6.181,1354 14.147,1355 9.681,1356 12.845,1357 0.299,1358 0.178,1359 14.214,1360 7.639,1361 9.642,1362 0.182,1363 0.09,1364 10.378,1365 4.749,1366 7.712,1367 0.117,1368 0.048,1369 8.422,1370 3.149,1371 6.083,1372 0.078,1373 0.025,1374 6.696,1375 1.933,1376 0.32,1377 94.571,1378 0.228,1379 27.088,1380 0.527,1381 146,1382 627.944,1383 202.874,1384 605.625,1385 789.32,1386 552,1387 169,1388 545.915,1389 232.922,1390 569.719,1391 818.54,1392 528,1393 4.303}
{0 CHEMBL1310325,1 1.647,2 17,3 4.527,4 20.496,5 145.934,6 8.169,7 0.425,8 4.235,9 4.333,10 3.909,11 3.824,12 5.417,13 3.796,14 4.743,15 4.893,16 4.252,17 4.174,18 5.91,19 4.129,20 4.956,21 5.146,22 4.312,23 4.282,24 6.08,25 4.225,26 5.027,27 5.212,28 4.308,29 4.285,30 6.246,31 4.207,32 5.038,33 5.265,34 4.213,35 4.204,36 6.148,37 4.112,38 4.817,39 5.028,40 4.134,41 4.116,42 5.962,43 4.031,44 4.738,45 4.903,46 4.153,47 4.103,48 6.046,49 4.031,50 4.724,51 4.897,52 3.995,53 4.048,54 6.043,55 3.962,56 0.052,57 0.878,58 11.279,59 5.825,60 12.338,61 6.78,62 0.429,63 1.42,64 23.788,65 9.502,66 40.232,67 11.376,68 0.391,69 1.699,70 30.205,71 11.822,72 42.345,73 14.582,74 0.607,75 1.786,76 35.097,77 13.111,78 84.662,79 15.64,80 0.662,81 1.717,82 41.568,83 14.186,84 84.481,85 17.012,86 0.472,87 1.448,88 29.29,89 11.001,90 60.282,91 13.563,92 0.345,93 1.414,94 27.155,95 9.998,96 64.488,97 11.053,98 0.6,99 1.368,100 27.531,101 9.585,102 98.369,103 10.781,104 40,105 54,106 0.26,107 0.623,108 0.764,109 0.833,110 0.845,111 0.845,112 3.641,113 0.957,114 -3.94,115 -3.9,116 -3.69,119 44.4,120 2,125 4,134 1,135 2,136 1,141 8,142 2,143 2,145 1,149 1,156 3,159 1,171 10,173 2,174 12,179 3,182 11,185 1,186 9,191 2,194 8,198 3,199 9,202 2,204 2,207 8,212 1,213 8,221 5,226 12,229 2,231 1,234 5,239 10,244 1,247 7,250 2,251 5,254 2,256 1,259 10,264 1,267 1,269 1,271 9,274 2940,275 25.403,276 25.403,277 25.403,278 25.403,279 25.403,280 22.692,281 25.612,282 14.965,283 26.099,284 19.523,285 19.523,286 19.523,287 19.523,288 19.523,289 15.219,290 30.353,291 6.83,292 20.539,293 4.33,294 2.034,295 1.139,296 0.703,297 0.627,298 0.627,299 4.336,306 1,307 1343,308 4.583,311 117.05,312 380.739,316 201.614,319 2.757,320 41.045,323 0.75,324 0.67,325 0.67,326 0.7,327 0.5,328 0.67,329 0.5,330 0.64,331 80,332 629,333 4.495,334 4.069,335 6.551,336 4.097,337 3.13,338 4.107,339 2.035,340 10.37,341 3.029,342 4.275,343 3.726,344 6.167,345 3.826,346 2.871,347 3.852,348 1.674,349 9.153,350 2.791,351 4.184,352 3.659,353 6.029,354 3.79,355 2.817,356 3.766,357 1.674,358 8.59,359 2.682,360 3.985,361 2.902,362 6.003,363 3.563,364 2.58,365 3.401,366 0.8,367 8.501,368 2.527,369 3.721,370 2.868,371 5.315,372 3.374,373 2.449,374 3.068,375 0.4,376 6.858,377 2.292,378 3.552,379 2.789,380 5.269,381 3.322,382 2.366,383 2.787,385 6.64,386 2.225,387 3.44,388 2.663,389 5.064,390 2.975,391 2.011,392 2.444,394 5.784,395 1.912,396 3.193,397 2.425,398 4.583,399 2.629,400 1.686,401 2.255,403 4.764,404 1.583,405 3.023,406 1.981,407 4.242,408 2.503,409 1.567,410 2.052,412 3.949,413 1.451,414 2.902,415 1.828,416 4.18,417 2.404,418 1.419,419 1.961,421 3.53,422 1.391,423 2.865,424 1.791,425 3.618,426 2.21,427 1.274,428 1.823,430 2.991,431 1.169,432 2.677,433 1.571,434 3.554,435 2,436 1.006,437 1.5,439 2.275,440 1,441 2.5,442 1.41,443 3.414,444 1.98,445 1,446 1.216,448 2.151,449 0.967,450 2.361,451 1,452 3.314,453 1.752,454 0.798,455 1.161,457 2.023,458 0.75,459 2.174,460 0.984,461 3.266,462 1.657,463 0.713,464 1.037,466 1.616,467 0.67,468 17.767,469 0.48,470 0.742,471 0.02,472 49.5,473 1.338,474 26,475 0.703,476 23.5,477 0.635,478 31.271,479 0.845,480 38.633,481 0.613,482 40.691,483 1.1,484 9.77,485 0.264,486 8.246,487 0.223,488 0.116,490 0.304,493 0.75,494 1.21,495 0.718,496 0.994,497 0.539,498 0.911,499 0.815,500 1.064,501 0.86,502 0.944,503 0.492,504 0.881,505 0.981,506 0.97,507 0.784,508 0.858,509 0.651,510 0.863,511 1.152,512 1.01,513 1.015,514 1.064,515 1.136,516 1.054,517 1.204,518 0.898,519 0.93,520 0.901,521 1.187,522 0.823,523 0.958,524 0.853,525 0.786,526 0.74,527 0.951,528 0.753,529 1.275,530 1.152,531 1.248,532 1.101,533 1.512,534 0.982,535 1.257,536 0.935,537 1.404,538 1.05,539 1.564,540 1.05,541 7,542 0.19,543 4.444,544 1.875,545 1.864,546 1.355,547 0.691,548 0.486,549 0.395,550 0.313,551 24381,552 68476,553 2.054,554 41.3,556 17,557 2,559 1,561 6,564 1.775,565 1.93,566 4.009,567 -0.365,573 103.751,574 1.647,575 3.944,576 4.838,577 5.275,578 5.35,579 5.35,580 3.519,581 4.993,582 5.177,583 4.23,584 2817.2,585 9.077,586 49948.3,591 376.569,592 1.374,593 5.143,594 0.175,595 0.005,596 0.082,597 0.033,598 0.036,599 0.029,600 0.015,601 0.011,602 0.01,603 0.009,604 0.404,605 0.33,606 0.75,607 1.529,608 209.91,609 -0.033,610 -0.13,611 0.06,612 -0.029,613 -0.015,614 -0.002,615 0.121,616 -0.004,617 0.064,618 0.037,619 0.109,620 0.05,621 -0.035,622 0.045,623 0.106,624 0.072,625 0.063,626 0.092,627 0.001,628 -0.023,629 -0.019,630 -0.078,631 -0.006,632 -0.095,633 -0.039,634 0.031,635 0.179,636 0.133,637 -0.054,638 0.198,639 0.015,640 0.126,641 0.222,642 0.257,643 0.007,644 0.245,645 -0.201,646 -0.071,647 -0.105,648 -0.019,649 -0.117,650 -0.037,651 -0.103,652 0.145,653 -0.298,654 -0.007,655 -0.092,656 -0.117,657 2.15,658 5.455,659 0.568,660 53.848,661 1.008,662 1.116,663 2.712,664 7.353,665 0.696,666 3.714,667 4.007,668 4.277,669 4.477,670 4.673,671 4.787,672 4.89,673 4.97,674 5.106,675 5.136,676 9.806,677 0.666,678 514.65,679 3.714,680 5.242,681 6.084,682 6.944,683 7.803,684 8.669,685 9.535,686 10.407,687 11.277,688 12.153,689 6.3,692 1,694 1,698 1,699 1,707 9,708 1,711 1,712 6,714 17,723 1,725 1,733 63,735 22,736 2,737 40,739 66,740 28,741 15,742 4,743 8,744 6,747 4,748 5,753 2,761 1,762 21,763 6,766 4,771 2,773 2,775 4,782 26,783 8,784 1,785 9,786 1,791 4,796 0.75,797 4,815 1,816 3,820 1,826 1,832 1,835 1,836 2,841 1,845 3,848 1,850 2,854 37,862 4,864 1,865 2,868 1,870 1,872 1,874 1,876 1,878 6.3,881 2,883 2,885 19.167,886 12.1,887 8.472,888 3.999,890 4.373,891 1.531,892 0.971,893 8.975,894 12.602,895 4.016,896 4.546,897 5.123,898 5.638,899 6.113,900 6.456,901 6.821,902 7.168,903 7.597,904 7.913,905 1,906 57,907 13.679,909 5.751,910 7.865,911 25.725,913 20.469,915 2.365,916 87.5,920 294.278,921 217.234,922 68.98,924 72.29,926 31.278,927 185.956,928 366.567,929 68.98,930 17.65,931 19.957,932 92.935,933 117,934 79.683,935 23.542,936 302.013,938 294.278,939 254.936,940 72.29,941 31.278,943 223.651,944 142.916,947 66.43,948 144.233,949 44.273,950 31.278,951 294.278,952 141.27,953 217.234,956 294.278,957 80.999,958 122.757,959 34.612,960 120.135,961 294.278,962 141.27,963 217.234,965 0.57,966 0.344,967 0.175,968 0.088,969 23,970 11,971 0.167,972 11,973 1,974 1.095,975 4.855,976 335.175,977 0.095,978 21,979 182.75,981 1,985 26.44,986 12.56,987 6.581,989 141.27,990 15.794,991 4.485,994 1.258,995 3.358,997 18.011,998 652.781,999 54.5,1004 24.73,1006 3.285,1008 -0.212,1011 63.512,1012 70.318,1013 0.276,1014 0.66,1015 0.809,1016 0.882,1017 0.895,1018 0.895,1019 5.248,1020 1.686,1021 6.052,1022 5.784,1023 4.691,1024 5.234,1025 3.081,1026 6.834,1027 4.599,1028 6.446,1029 1.567,1030 7.597,1031 4.764,1032 4.205,1033 4.913,1034 0.325,1035 7.695,1036 4.099,1037 7.743,1038 1.419,1039 9.241,1040 3.949,1041 6.263,1042 7.365,1043 4.208,1044 10.753,1045 6.094,1046 9.074,1047 1.274,1048 10.942,1049 3.53,1050 6.621,1051 7.898,1052 0.268,1053 12.428,1054 6.434,1055 10.436,1056 1.006,1057 12.68,1058 2.991,1059 8.104,1060 9.772,1061 5.444,1062 14.991,1063 7.87,1064 11.819,1065 1,1066 14.442,1067 2.275,1068 8.844,1069 10.705,1070 0.188,1071 17.001,1072 8.586,1073 13.219,1074 0.798,1075 16.222,1076 2.151,1077 10.096,1078 12.328,1079 6.728,1080 19.394,1081 9.8,1082 3.13,1083 0.713,1084 18.015,1085 2.023,1086 11.02,1087 13.466,1088 0.125,1089 21.557,1090 10.696,1091 2.871,1092 10.37,1093 19.817,1094 1.616,1095 12.177,1096 14.969,1097 8.048,1098 23.888,1099 11.82,1100 2.817,1101 9.153,1102 21.627,1103 4.107,1104 13.191,1105 16.216,1106 0.082,1107 26.125,1108 12.804,1109 2.58,1110 8.59,1111 23.444,1112 3.852,1113 14.312,1114 17.66,1115 9.394,1116 28.438,1117 13.894,1118 2.449,1119 8.501,1120 25.266,1121 3.766,1122 15.372,1123 18.968,1124 0.054,1125 30.712,1126 14.923,1127 2.366,1128 6.858,1129 27.093,1130 3.401,1131 16.481,1132 20.382,1133 10.761,1134 33.022,1135 16.001,1136 2.011,1137 6.64,1138 28.923,1139 3.068,1140 17.566,1141 21.724,1142 0.035,1143 35.318,1144 17.054,1145 23428,1146 39649,1147 26.641,1148 43.864,1149 60.257,1150 63.405,1151 60.955,1152 57.988,1153 58.107,1154 76.257,1155 13.167,1156 163.102,1157 55.311,1158 5.414,1159 6.069,1160 6.235,1161 5.206,1162 5.13,1163 7.107,1164 4.069,1165 17.256,1166 5.029,1167 19.399,1168 1.506,1169 1.585,1170 1.524,1171 1.45,1172 1.453,1173 1.906,1174 0.329,1175 4.078,1176 1.383,1177 4.029,1178 4.043,1179 4.244,1180 3.974,1181 7.435,1182 3.957,1183 3.937,1184 3.959,1185 3.91,1186 3.858,1187 7.431,1188 3.861,1189 3.821,1190 3.841,1191 3.886,1192 3.801,1193 6.82,1194 3.759,1195 3.744,1196 3.818,1197 3.61,1198 3.54,1199 4.901,1200 3.545,1201 3.54,1202 3.569,1203 3.5,1204 3.429,1205 4.781,1206 3.439,1207 3.414,1208 3.451,1209 3.401,1210 3.221,1211 4.729,1212 3.216,1213 3.306,1214 3.407,1215 3.295,1216 3.162,1217 4.454,1218 3.155,1219 3.301,1220 3.32,1221 3.04,1222 3.123,1223 4.251,1224 3.089,1225 0.112,1226 0.102,1227 0.164,1228 0.102,1229 0.078,1230 4.495,1231 0.103,1232 4.069,1233 0.051,1234 6.551,1235 0.259,1236 4.097,1237 0.076,1238 3.13,1239 4.107,1240 2.035,1241 10.37,1242 3.029,1243 1.944,1244 1.93,1245 2.03,1246 2.036,1247 1.205,1248 2.032,1249 1.91,1250 1.887,1251 2.009,1252 2.015,1253 1.131,1254 2.013,1255 1.702,1256 1.629,1257 1.952,1258 1.934,1259 1.093,1260 1.945,1261 1.629,1262 1.605,1263 1.725,1264 1.749,1265 0.891,1266 1.737,1267 1.561,1268 1.545,1269 1.687,1270 1.66,1271 0.869,1272 1.661,1273 1.356,1274 1.302,1275 1.66,1276 1.605,1277 0.77,1278 1.638,1279 1.351,1280 1.256,1281 1.62,1282 1.584,1283 0.739,1284 1.621,1285 1.127,1286 1.119,1287 1.202,1288 1.319,1289 0.367,1290 1.293,1291 4.394,1293 5.694,1294 2.398,1295 7.188,1296 4.595,1297 8.768,1298 6.605,1299 10.395,1301 4.139,1307 2.859,1309 3.061,1310 10.754,1313 2.182,1316 9.671,1317 2.136,1318 41.927,1319 103.751,1320 248.457,1321 304.794,1322 332.304,1323 337.059,1324 337.059,1325 81.007,1326 8.23,1327 108.46,1328 136.7,1329 23,1330 12.693,1331 4.524,1332 3.954,1333 65.403,1334 218,1335 223,1336 0.142,1337 263.092,1338 471.53,1339 633.704,1340 52826,1342 26.2,1343 0.708,1344 0.578,1345 26.554,1346 21.379,1347 18.016,1348 0.45,1349 0.319,1350 11.791,1351 16.889,1352 11.419,1353 9.502,1354 18.47,1355 12.755,1356 15.368,1357 0.285,1358 0.165,1359 15.918,1360 8.936,1361 13.426,1362 0.189,1363 0.094,1364 14.13,1365 6.687,1366 10.596,1367 0.122,1368 0.051,1369 11.402,1370 4.438,1371 7.992,1372 0.075,1373 0.025,1374 8.598,1375 2.633,1376 0.234,1377 117.344,1378 0.194,1379 34.746,1380 0.361,1381 188,1382 607.071,1383 229.788,1384 603.952,1385 816.46,1386 564,1387 219,1388 577.71,1389 257.999,1390 597.245,1391 873.08,1392 561,1393 4.224}
{0 CHEMBL131037,1 1.738,2 5.778,3 2.462,4 6.063,5 68.692,6 11.042,7 0.316,8 3.402,9 3.441,10 3.28,11 3.008,12 4.724,13 3.024,14 3.897,15 3.982,16 3.702,17 3.368,18 5.209,19 3.391,20 4.021,21 4.038,22 4.134,23 3.537,24 5.653,25 3.577,26 4.1,27 4.135,28 3.988,29 3.47,30 5.782,31 3.516,32 4.141,33 4.251,34 3.83,35 3.367,36 5.791,37 3.345,38 3.975,39 4.137,40 3.438,41 3.078,42 5.37,43 2.973,44 3.547,45 3.694,46 2.463,47 2.534,48 4.847,49 2.334,50 2.625,51 2.809,52 1.097,53 1.81,54 3.629,55 1.46,56 0.187,57 0.289,58 1.137,59 2.164,60 15.453,61 1.982,62 0.486,63 0.456,64 7.55,65 3.943,66 42.755,67 3.433,68 0.558,69 0.485,70 9.026,71 4.249,72 61.469,73 3.185,74 0.687,75 0.533,76 5.052,77 4.522,78 66.726,79 3.556,80 0.848,81 0.566,82 9.757,83 5.332,84 86.685,85 5.336,86 0.708,87 0.46,88 14.165,89 5.073,90 86.117,91 4.804,92 0.615,93 0.242,94 18.456,95 3.576,96 69.066,97 2.469,98 0.177,99 0.091,100 10.589,101 1.636,102 15.86,103 1.754,104 41,105 28,106 0.345,107 0.661,108 0.661,109 0.661,110 0.661,111 0.661,112 2.964,113 0.896,114 -3.17,115 -3.16,116 -3.04,119 46.2,124 2,137 2,141 2,142 2,143 2,155 2,171 2,174 6,182 2,186 8,194 5,198 2,199 4,207 2,212 4,213 4,221 2,226 2,234 2,274 304,275 11.845,276 11.845,277 11.845,278 11.845,279 11.845,280 10.621,281 11.489,282 6.536,283 12.316,284 9.121,285 9.121,286 9.121,287 9.121,288 9.121,289 7.047,290 11.912,291 2.816,292 9.794,293 2.962,294 1.366,295 1.366,296 1.366,297 1.366,298 1.366,299 3.605,302 2,305 1,306 1,307 208,308 2.449,312 78.334,316 67.716,319 0.741,320 33.017,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 40.667,332 104,333 4.736,334 3.919,335 7.143,336 4.364,337 3.383,338 4.413,339 0.86,340 12.379,341 3.312,342 4.09,343 3.43,344 6.188,345 3.57,346 2.667,347 3.579,348 0.86,349 8.747,350 2.482,351 3.842,352 3.112,353 6.104,354 3.509,355 2.523,356 3.176,358 8.537,359 2.359,360 3.282,361 2.659,362 5.24,363 2.907,364 1.956,365 2.432,367 5.858,368 1.824,369 3.156,370 2.582,371 4.884,372 2.678,373 1.745,374 2.351,376 5.044,377 1.563,378 2.322,379 1.848,380 3.646,381 1.71,382 0.791,383 1.023,385 1.6,386 0.699,387 1.898,388 1.708,389 3.531,390 1.522,391 0.537,392 0.743,394 1.099,395 0.492,396 1.554,397 1.216,398 3.06,399 1.274,400 0.485,401 0.507,403 0.988,404 0.348,405 1.44,406 1.017,407 2.541,408 0.958,409 0.209,410 0.237,412 0.329,413 0.131,414 0.931,415 0.127,416 2.237,417 0.469,418 -0.509,419 -0.61,421 -0.88,422 -0.454,423 0.773,424 0.044,425 2.216,426 0.409,427 -0.567,428 -0.788,430 -1.533,431 -0.559,433 -0.282,434 2,435 -0.402,436 -1.264,437 -1.51,439 -3.075,440 -0.744,442 -0.797,443 1.63,444 -0.428,445 -1.338,446 -1.58,448 -3.443,449 -1.198,450 -0.059,451 -0.892,452 1.352,453 -0.614,454 -1.441,455 -1.729,457 -3.975,458 -1.265,459 -0.357,460 -1.16,461 1.244,462 -0.739,463 -1.575,464 -2.052,466 -4.616,467 -1.559,468 8.762,469 0.487,470 0.563,471 0.031,472 23,473 1.278,474 11.5,475 0.639,476 11.5,477 0.639,478 13.351,479 0.742,480 19.438,481 0.748,482 17.099,483 0.95,484 4.849,485 0.269,486 3.674,487 0.204,488 0.353,490 0.457,493 0.717,494 1.145,495 0.475,496 0.862,497 0.579,498 0.78,499 1.108,500 0.661,501 0.561,502 0.445,503 0.764,504 0.403,505 0.948,506 1.04,507 0.594,508 0.867,509 0.91,510 0.645,511 0.887,512 1.274,513 0.659,514 1.076,515 0.935,516 0.958,517 0.559,518 1.179,519 0.679,520 1.043,521 0.761,522 1.104,523 1.086,524 1.126,525 1.188,526 1.156,527 1.436,528 1.312,529 2.29,530 0.538,531 2.867,532 1.353,533 2.09,534 1.677,535 1.29,536 1.093,537 3.879,538 2.624,539 0.945,540 2.666,541 3.5,543 2.889,544 2.125,545 2.151,546 0.986,547 0.282,551 1977,552 9545,553 1.901,554 30.8,556 8,564 1.601,565 1.688,566 2.56,567 -0.654,571 1,573 45.192,574 1.738,575 3.335,576 3.335,577 3.335,578 3.335,579 3.335,580 1.837,581 2.948,582 4.143,583 2.6,584 397.725,585 7.102,586 3699.97,587 1,588 1,590 1,591 122.211,592 1.53,593 4.036,594 0.184,596 0.103,597 0.061,598 0.067,599 0.041,600 0.024,604 0.48,605 0.83,606 1,607 1.112,608 72.717,609 -0.058,610 -0.122,611 0.004,612 -0.077,613 -0.057,614 -0.027,615 -0.227,616 0.351,617 0.116,618 0.446,619 -0.093,620 0.482,621 -0.002,622 -0.064,623 0.234,624 0.008,625 0.046,626 0.099,627 0.121,628 -0.293,629 0.043,630 -0.221,631 0.113,632 -0.191,633 0.41,634 -0.21,635 0.164,636 -0.104,637 0.29,638 -0.121,639 -0.083,640 -0.197,641 -0.031,642 -0.108,643 -0.216,644 -0.175,645 -0.923,646 0.32,647 -1.092,648 -0.14,649 -0.763,650 -0.533,651 -0.44,652 -0.314,653 -1.571,654 -1.329,655 -0.37,656 -1.321,657 2.216,658 5.058,659 0.556,660 9.432,661 1.053,662 1.108,663 1.942,664 3.771,665 0.744,666 2.996,667 3.367,668 3.738,669 4.007,670 4.263,671 4.29,672 4.19,673 4.007,674 3.892,675 3.555,676 3.737,677 0.736,678 287.1,679 2.996,680 4.554,681 5.451,682 6.368,683 7.288,684 8.212,685 9.136,686 10.061,687 10.986,688 11.912,707 2,712 4,714 6,719 2,730 2,733 26,735 9,736 1,737 19,739 27,740 12,741 6,742 4,743 2,744 4,745 2,747 2,748 3,749 2,762 10,763 2,765 2,766 3,771 2,775 4,779 1,782 8,783 4,785 6,786 2,796 0.5,797 4,816 2,820 1,835 2,845 1,850 2,851 2,854 18,865 2,877 2,878 15.4,881 2,883 2,885 10.667,886 5.619,887 4.139,888 1.349,890 1.844,891 1.295,892 0.938,893 3.547,894 8.101,895 3.258,896 3.882,897 4.541,898 5.087,899 5.618,900 5.852,901 6.068,902 6.182,903 6.354,904 6.233,905 0.75,906 35,907 6.661,909 2.923,910 8.309,911 11.837,913 9.329,915 2.809,916 50.556,920 94.169,921 74.845,923 78.297,924 72.29,927 74.845,928 244.756,930 21.766,932 18.952,933 67.558,934 38.858,936 94.169,937 78.297,938 94.169,939 74.845,940 72.29,941 78.297,943 94.169,944 72.29,948 67.844,949 85.299,951 94.169,952 72.29,953 153.142,956 94.169,957 34.126,958 40.719,960 150.587,961 94.169,962 72.29,963 153.142,965 0.59,966 0.397,967 0.217,968 0.122,969 14,970 8,971 0.074,972 2,973 1,974 1.2,975 2.716,976 135.201,977 0.2,978 10,979 57.059,985 13.242,986 4.822,987 1.91,989 72.29,990 3.068,995 0.672,998 319.601,999 25,1004 24.117,1008 -1.708,1011 27.375,1012 28.802,1013 0.37,1014 0.709,1015 0.709,1016 0.709,1017 0.709,1018 0.709,1019 4.527,1020 0.485,1021 5.493,1022 1.099,1023 4.043,1024 4.564,1025 1.376,1026 6.425,1027 3.927,1028 5.785,1029 0.209,1030 7.146,1031 0.988,1032 3.892,1033 4.635,1035 7.585,1036 3.733,1037 7.148,1038 -0.509,1039 8.899,1040 0.329,1041 5.759,1042 6.84,1043 1.159,1044 10.756,1045 5.591,1046 8.55,1047 -0.567,1048 10.705,1049 -0.88,1050 6.399,1051 7.688,1053 12.69,1054 6.189,1055 9.983,1056 -1.264,1057 12.545,1058 -1.533,1059 7.797,1060 9.422,1061 0.963,1062 15.428,1063 7.591,1064 11.437,1065 -1.338,1066 14.406,1067 -3.075,1068 8.766,1069 10.605,1071 17.692,1072 8.532,1073 12.908,1074 -1.441,1075 16.284,1076 -3.443,1077 10.02,1078 12.175,1079 0.787,1080 20.284,1081 9.784,1082 3.383,1083 -1.575,1084 18.175,1085 -3.975,1086 11.128,1087 13.513,1089 22.692,1090 10.873,1091 2.667,1092 12.379,1093 20.077,1094 -4.616,1095 12.342,1096 15.023,1097 0.634,1098 25.233,1099 12.079,1100 2.523,1101 8.747,1102 21.987,1103 4.413,1104 13.509,1105 16.433,1107 27.703,1108 13.229,1109 1.956,1110 8.537,1111 23.905,1112 3.579,1113 14.715,1114 17.922,1115 0.504,1116 30.226,1117 14.424,1118 1.745,1119 5.858,1120 25.829,1121 3.176,1122 15.908,1123 19.368,1125 32.722,1126 15.601,1127 0.791,1128 5.044,1129 27.759,1130 2.432,1131 17.116,1132 20.849,1133 0.395,1134 35.24,1135 16.794,1136 0.537,1137 1.6,1138 29.693,1139 2.351,1140 18.321,1141 22.313,1143 37.747,1144 17.982,1145 2158,1146 4823,1147 11.561,1148 19.341,1149 28.958,1150 32.225,1151 32.432,1152 28.501,1153 28.591,1154 36.92,1155 3.44,1156 89.162,1157 26.419,1158 5.574,1159 5.919,1160 6.709,1161 5.364,1162 5.383,1163 7.413,1164 1.72,1165 20.379,1166 5.312,1167 11.626,1168 1.524,1169 1.696,1170 1.707,1171 1.5,1172 1.505,1173 1.943,1174 0.181,1175 4.693,1176 1.39,1177 4.028,1178 4.023,1179 4.154,1180 3.957,1181 7.437,1182 3.967,1183 3.557,1184 3.553,1185 3.777,1186 3.468,1187 7.419,1188 3.465,1189 3.339,1190 3.377,1191 3.402,1192 3.064,1193 4.934,1194 3.097,1195 3.136,1196 3.224,1197 3.183,1198 2.866,1199 4.829,1200 2.854,1201 3.056,1202 3.04,1203 3.048,1204 2.802,1205 4.598,1206 2.831,1207 2.761,1208 2.766,1209 2.877,1210 2.687,1211 4.422,1212 2.673,1213 2.529,1214 2.564,1215 2.871,1216 2.343,1217 4.108,1218 2.346,1219 2.14,1220 2.107,1221 2.353,1222 1.766,1223 3.515,1224 1.837,1225 0.249,1226 0.206,1227 0.376,1228 0.23,1229 0.178,1230 4.736,1231 0.232,1232 3.919,1233 0.045,1234 7.143,1235 0.652,1236 4.364,1237 0.174,1238 3.383,1239 4.413,1240 0.86,1241 12.379,1242 3.312,1243 1.961,1244 1.962,1245 1.992,1246 2.049,1247 1.157,1248 2.032,1249 1.476,1250 1.476,1251 1.592,1252 1.616,1253 0.613,1254 1.605,1255 1.246,1256 1.197,1257 1.564,1258 1.571,1259 0.587,1260 1.573,1261 1.124,1262 1.031,1263 1.453,1264 1.403,1265 0.537,1266 1.44,1267 0.906,1268 0.904,1269 0.97,1270 1.165,1271 0.042,1272 1.092,1273 0.703,1274 0.691,1275 0.741,1276 0.787,1278 0.811,1279 0.453,1280 0.431,1281 0.621,1282 0.712,1284 0.693,1287 0.027,1288 0.281,1290 0.186,1291 3.664,1293 5.017,1295 6.608,1297 8.312,1299 10.077,1301 2.793,1302 11.491,1310 10.123,1318 19.148,1319 45.192,1320 86.702,1321 86.702,1322 86.702,1323 86.702,1324 86.702,1325 46.499,1326 6.258,1327 52.6,1328 52.6,1329 12,1330 12.417,1331 3.322,1332 2.807,1333 30.464,1334 41,1335 38,1336 0.41,1337 126.178,1338 230.28,1339 299.635,1340 3055,1341 7.7,1342 13.447,1343 0.747,1344 0.614,1345 14.447,1346 11.055,1347 8.523,1348 0.449,1349 0.299,1350 4.87,1351 7.562,1352 4.64,1353 3.836,1354 9.101,1355 5.678,1356 7.505,1357 0.268,1358 0.152,1359 8.172,1360 4.262,1361 7.192,1362 0.175,1363 0.084,1364 8.327,1365 3.432,1366 5.613,1367 0.104,1368 0.04,1369 6.138,1370 2.135,1371 4.578,1372 0.065,1373 0.021,1374 4.992,1375 1.459,1376 0.582,1377 60.876,1378 0.294,1379 17.043,1380 1.342,1381 94,1382 393.349,1383 135.003,1384 422.558,1385 537.52,1386 390,1387 116,1388 327.089,1389 159.061,1390 350.447,1391 521.1,1392 325,1393 5.17}
{0 CHEMBL1310644,1 1.592,2 8.389,3 2.146,4 4.606,5 70.593,6 7.303,7 0.316,8 3.623,9 3.738,10 3.169,11 3.094,12 4.755,13 3.08,14 4.165,15 4.341,16 3.453,17 3.455,18 5.387,19 3.423,20 4.357,21 4.566,22 3.421,23 3.618,24 5.331,25 3.529,26 4.384,27 4.611,28 3.291,29 3.623,30 5.284,31 3.481,32 4.419,33 4.69,34 3.265,35 3.505,36 5.333,37 3.372,38 4.287,39 4.541,40 3.147,41 3.274,42 5.385,43 3.185,44 4.086,45 4.339,46 2.696,47 2.959,48 5.189,49 2.838,50 3.663,51 3.954,52 2.419,53 2.54,54 4.57,55 2.411,56 0.121,57 0.482,58 7.227,59 3.087,60 6.994,61 4.134,62 0.311,63 0.736,64 14.067,65 4.821,66 44.949,67 6.64,68 0.334,69 0.873,70 17.419,71 6.179,72 28.666,73 8.661,74 0.168,75 0.886,76 17.585,77 7.073,78 25.908,79 10.085,80 0.22,81 0.842,82 19.457,83 6.597,84 27.186,85 9.931,86 0.295,87 0.681,88 17.528,89 5.194,90 35.776,91 7.602,92 0.379,93 0.497,94 15.028,95 4.24,96 57.437,97 5.885,98 0.252,99 0.336,100 9.833,101 2.665,102 18.919,103 4.174,104 13,105 25,106 0.297,107 0.618,108 0.777,109 0.803,110 0.803,111 0.803,112 2.959,113 0.934,114 -3.19,115 -3.18,116 -3.06,119 38.2,120 1,125 4,134 1,136 1,141 3,142 2,143 1,164 2,171 6,173 1,174 3,182 8,185 1,186 5,194 6,199 6,207 1,213 10,226 8,238 1,239 2,250 2,251 1,274 324,275 11.983,276 11.983,277 11.983,278 11.983,279 11.983,280 10.75,281 16.252,282 7.298,283 12.307,284 9.382,285 9.382,286 9.382,287 9.382,288 9.382,289 7.518,290 20.102,291 3.49,292 9.859,293 3.496,294 1.777,295 0.927,296 0.787,297 0.787,298 0.787,299 3.616,304 1,305 1,306 1,307 311,308 2.646,312 121.566,319 1.611,320 17.448,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 40,332 151,333 4.304,334 3.673,335 6.234,336 3.936,337 2.963,338 3.952,339 2.612,340 9.348,341 2.896,342 3.923,343 3.164,344 5.919,345 3.575,346 2.618,347 3.449,348 0.86,349 8.242,350 2.493,351 3.758,352 2.805,353 4.672,354 3.148,355 2.184,356 3.05,357 0.8,358 5.186,359 2.101,360 2.996,361 2.282,362 4.473,363 2.736,364 1.805,365 2.053,367 4.543,368 1.675,369 2.879,370 1.661,371 4.136,372 2.462,373 1.465,374 1.998,376 3.705,377 1.461,378 2.469,379 1.526,380 3.511,381 2.065,382 1.173,383 1.326,385 2.71,386 1.037,387 2.201,388 1.256,389 3.247,390 1.952,391 1,392 1.003,394 2.136,395 0.946,396 2,397 1,398 3.063,399 1.634,400 0.648,401 1,403 1.464,404 0.638,405 1.229,406 0.925,407 2.515,408 0.856,409 -0.13,410 -0.172,412 -0.298,413 -0.128,414 1,415 0.187,416 2.304,417 0.423,418 -0.547,419 -0.62,421 -1.338,422 -0.529,423 0.747,424 -0.303,425 1.931,426 0.119,427 -0.85,428 -1,430 -2,431 -0.824,432 0.304,433 -0.36,434 1.641,436 -1,437 -1.011,439 -2.11,440 -0.846,441 0.064,442 -0.622,443 1.555,444 -0.149,445 -1,446 -1.472,448 -2.347,449 -1,451 -0.954,452 1.15,453 -0.247,454 -1.21,455 -1.816,457 -3.249,458 -1.162,459 -0.103,460 -1.212,461 1,462 -0.386,463 -1.379,464 -2,465 -0.4,466 -3.918,467 -1.367,468 8.3,469 0.461,470 0.421,471 0.023,472 22.5,473 1.25,474 11,475 0.611,476 11.5,477 0.639,478 12.175,479 0.676,480 20.5,481 0.603,482 14.662,483 0.815,484 4.663,485 0.259,486 4.002,487 0.222,488 0.141,490 0.277,493 0.476,494 1.377,495 0.758,496 1.21,497 0.481,498 1.077,499 0.932,500 1.047,501 0.928,502 0.933,503 0.394,504 0.919,505 0.843,506 0.925,507 1.067,508 0.957,509 0.555,510 1.038,511 0.444,512 1.274,513 1.008,514 1.336,515 0.498,516 1.309,517 0.49,518 1.087,519 0.797,520 1.098,521 0.417,522 1.022,523 1.03,524 0.986,525 0.952,526 1.025,527 0.894,528 0.971,529 1.492,530 0.783,531 1.198,532 0.908,533 1.886,534 0.995,535 0.72,536 0.836,537 0.757,538 0.797,539 0.518,540 0.8,541 3.5,542 0.037,543 2,544 0.75,545 0.724,546 0.674,547 0.263,548 0.13,549 0.082,550 0.066,551 2727,552 8909,553 1.994,554 47.1,555 3,556 12,557 1,564 1.584,565 1.862,566 3.065,567 -0.709,569 1,570 1,571 1,573 54.113,574 1.592,575 3.31,576 4.161,577 4.301,578 4.301,579 4.301,580 2.558,581 3.308,582 4.136,583 3.209,584 490.943,585 7.008,586 4667.04,587 1,588 1,590 1,591 172.974,592 1.415,593 4.096,594 0.184,595 0.007,596 0.08,597 0.031,598 0.036,599 0.035,600 0.016,601 0.014,602 0.012,603 0.009,604 0.427,605 0.83,606 1,607 1.357,608 77.049,609 0.217,610 -0.109,611 0.074,612 -0.068,613 0.025,614 -0.048,615 -0.014,616 0.07,617 -0.007,618 0.1,619 0.235,620 0.062,621 -0.102,622 0.153,623 -0.164,624 0.075,625 -0.028,626 -0.036,627 0.026,628 -0.255,629 -0.147,630 -0.257,631 -0.016,632 -0.247,633 0.08,634 -0.148,635 0.129,636 -0.108,637 0.087,638 0.005,639 -0.074,640 -0.075,641 0.04,642 -0.092,643 0.059,644 -0.006,645 -0.212,646 0.03,647 -0.147,648 -0.004,649 -0.289,650 -0.061,651 0.228,652 -0.014,653 0.274,654 0.086,655 0.1,656 0.161,657 2.449,658 3.295,659 0.667,660 13.778,661 1.011,662 1.133,663 1.961,664 3.846,665 0.638,666 2.996,667 3.258,668 3.434,669 3.611,670 3.829,671 3.784,672 3.784,673 3.784,674 3.738,675 3.497,676 5.051,677 0.614,678 248.31,679 2.996,680 4.489,681 5.293,682 6.133,683 6.963,684 7.81,685 8.65,686 9.501,687 10.346,688 11.199,689 5.9,695 1,701 1,707 3,712 3,714 6,727 1,733 34,735 9,736 1,737 19,739 35,740 13,741 6,742 3,743 3,744 2,747 2,748 2,753 1,762 8,763 5,766 3,768 1,771 2,773 2,779 1,782 16,783 4,785 5,791 2,796 1,797 3,816 2,835 1,840 1,844 1,845 2,850 1,854 18,862 4,865 1,868 1,878 8.8,882 1,884 2,885 9.667,886 6.317,887 4.056,888 2.001,890 1.735,891 1.288,892 0.928,893 4.206,894 7.771,895 3.258,896 3.773,897 4.193,898 4.634,899 5.16,900 5.374,901 5.564,902 5.82,903 5.971,904 5.697,905 0.833,906 24,907 6.61,909 2.682,910 7.972,911 12.537,913 9.829,915 2.472,916 44.5,917 0.001,920 188.338,921 78.302,922 8.794,924 61.747,927 78.302,928 250.084,929 8.794,930 14.495,931 22.444,932 37.905,933 11,934 12.252,935 11.771,936 176.567,937 50.747,938 188.338,939 87.096,940 61.747,943 188.338,945 61.747,947 22.221,948 55.398,949 9.476,951 188.338,952 70.541,953 78.302,956 188.338,957 22.524,958 64.572,960 61.747,961 188.338,962 70.541,963 78.302,965 0.568,966 0.308,967 0.157,968 0.093,969 11,970 5,971 0.086,972 3,974 1,975 3.068,976 119.527,978 12,979 69.059,985 12.9,986 5.87,987 3.472,989 64.871,990 5.975,995 3.065,998 337.18,999 25,1001 -0.449,1004 20.59,1006 2.495,1011 34.371,1012 38.531,1013 0.313,1014 0.651,1015 0.818,1016 0.845,1017 0.845,1018 0.845,1019 4.46,1020 0.648,1021 5.252,1022 2.136,1023 3.932,1024 4.454,1025 2.684,1026 5.984,1027 3.849,1028 5.636,1029 -0.13,1030 6.765,1031 1.464,1032 3.434,1033 4.27,1034 2.396,1035 6.763,1036 3.338,1037 6.919,1038 -0.547,1039 8.38,1040 -0.298,1041 5.442,1042 6.563,1043 4.179,1044 9.805,1045 5.293,1046 8.236,1047 -0.85,1048 10.056,1049 -1.338,1050 5.74,1051 7.168,1052 4.51,1053 11.418,1054 5.584,1055 9.583,1056 -1,1057 11.771,1058 -2,1059 7.232,1060 8.954,1061 5.951,1062 13.961,1063 7.028,1064 10.951,1065 -1,1066 13.514,1067 -2.11,1068 7.912,1069 9.91,1070 6.556,1071 15.91,1072 7.702,1073 12.333,1074 -1.21,1075 15.276,1076 -2.347,1077 9.174,1078 11.485,1079 7.795,1080 18.263,1081 8.924,1082 2.963,1083 -1.379,1084 17.051,1085 -3.249,1086 10.048,1087 12.617,1088 8.548,1089 20.358,1090 9.788,1091 2.618,1092 9.348,1093 18.836,1094 -3.918,1095 11.202,1096 14.09,1097 9.67,1098 22.633,1099 10.912,1100 2.184,1101 8.242,1102 20.629,1103 3.952,1104 12.175,1105 15.319,1106 10.509,1107 24.793,1108 11.87,1109 1.805,1110 5.186,1111 22.427,1112 3.449,1113 13.281,1114 16.741,1115 11.563,1116 27.035,1117 12.951,1118 1.465,1119 4.543,1120 24.23,1121 3.05,1122 14.304,1123 18.025,1124 12.452,1125 29.227,1126 13.957,1127 1.173,1128 3.705,1129 26.035,1130 2.053,1131 15.391,1132 19.422,1133 13.468,1134 31.457,1135 15.021,1136 1,1137 2.71,1138 27.843,1139 1.998,1140 16.439,1141 20.739,1142 14.386,1143 33.665,1144 16.051,1145 2803,1146 5165,1147 12.425,1148 21.705,1149 28.007,1150 29.004,1151 28.407,1152 27.692,1153 27.71,1154 35.662,1155 8.545,1156 74.667,1157 26.493,1158 5.304,1159 5.673,1160 6.036,1161 5.039,1162 4.963,1163 6.952,1164 4.612,1165 15.753,1166 4.896,1167 8.863,1168 1.474,1169 1.527,1170 1.495,1171 1.457,1172 1.458,1173 1.877,1174 0.45,1175 3.93,1176 1.394,1177 4.001,1178 4.034,1179 3.947,1180 3.919,1181 7.816,1182 3.919,1183 3.774,1184 3.817,1185 3.725,1186 3.523,1187 6.999,1188 3.544,1189 3.653,1190 3.692,1191 3.555,1192 3.349,1193 4.771,1194 3.398,1195 3.169,1196 3.251,1197 3.008,1198 3.014,1199 4.587,1200 2.994,1201 3.111,1202 3.206,1203 2.921,1204 2.941,1205 4.132,1206 2.91,1207 3.045,1208 3.083,1209 2.866,1210 2.76,1211 3.901,1212 2.816,1213 2.76,1214 2.831,1215 2.601,1216 2.448,1217 3.705,1218 2.483,1219 2.584,1220 2.681,1221 2.338,1222 2.314,1223 3.474,1224 2.312,1225 0.227,1226 0.193,1227 0.328,1228 0.207,1229 0.156,1230 4.304,1231 0.208,1232 3.673,1233 0.137,1234 6.234,1235 0.492,1236 3.936,1237 0.152,1238 2.963,1239 3.952,1240 2.612,1241 9.348,1242 2.896,1243 1.961,1244 1.934,1245 2.068,1246 2.078,1247 1.259,1248 2.072,1249 1.67,1250 1.616,1251 1.882,1252 1.953,1253 1.106,1254 1.906,1255 1.489,1256 1.448,1257 1.64,1258 1.821,1259 0.825,1260 1.771,1261 1.195,1262 1.117,1263 1.522,1264 1.409,1265 0.623,1266 1.455,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.579,1272 1.429,1273 0.907,1274 0.87,1275 1.118,1276 1.221,1277 0.239,1278 1.191,1279 0.666,1280 0.599,1281 0.991,1282 1.019,1283 0.088,1284 1.018,1285 0.583,1286 0.483,1287 0.911,1288 0.866,1290 0.914,1291 3.664,1293 4.934,1295 6.402,1297 7.958,1299 9.562,1301 1.962,1307 3.289,1310 5.312,1313 2.261,1318 20.875,1319 54.113,1320 112.555,1321 141.464,1322 146.219,1323 146.219,1324 146.219,1325 26.839,1326 6.035,1327 58.29,1328 58.29,1329 12,1330 11.757,1331 3.322,1332 2.807,1333 31.108,1334 56,1335 48,1336 0.293,1337 131.624,1338 233.01,1339 312.924,1340 2610,1342 12.958,1343 0.72,1344 0.574,1345 12.958,1346 10.334,1347 8.665,1348 0.456,1349 0.311,1350 5.804,1351 8.158,1352 5.657,1353 4.681,1354 8.665,1355 5.917,1356 7.68,1357 0.307,1358 0.17,1359 7.68,1360 4.241,1361 5.819,1362 0.194,1363 0.1,1364 5.819,1365 3.005,1366 4.511,1367 0.125,1368 0.056,1369 4.511,1370 2.006,1371 3.69,1372 0.082,1373 0.03,1374 3.69,1375 1.337,1376 0.454,1377 55.499,1378 0.284,1379 18.283,1380 0.814,1381 88,1382 310.497,1383 99.137,1384 289.861,1385 377.57,1386 268,1387 99,1388 266.466,1389 109.421,1390 263.002,1391 373.02,1392 245,1393 4.304}
{0 CHEMBL1311185,1 1.779,2 8.52,3 1.362,4 1.854,5 94.995,6 9.437,7 0.444,8 3.805,9 3.858,10 3.847,11 3.522,12 4.919,13 3.442,14 4.347,15 4.425,16 4.09,17 3.897,18 5.883,19 3.821,20 4.651,21 4.786,22 4.252,23 4.019,24 5.957,25 3.932,26 4.647,27 4.754,28 4.376,29 3.947,30 6.232,31 3.906,32 4.658,33 4.741,34 4.286,35 3.916,36 6.588,37 3.902,38 4.623,39 4.753,40 4.028,41 3.886,42 6.103,43 3.82,44 4.539,45 4.702,46 3.783,47 3.772,48 5.924,49 3.677,50 4.368,51 4.561,52 3.374,53 3.56,54 5.644,55 3.439,56 0.135,57 0.56,58 9.121,59 4.74,60 35.664,61 4.107,62 0.417,63 0.912,64 15.581,65 7.887,66 95.95,67 7.505,68 0.589,69 1.226,70 29.166,71 11.038,72 128.357,73 9.803,74 0.84,75 1.207,76 27.742,77 10.339,78 176.275,79 8.513,80 1.176,81 1.154,82 24.782,83 9.684,84 246.412,85 7.678,86 0.729,87 1.136,88 25.6,89 9.901,90 133.032,91 8.166,92 0.631,93 1.037,94 25.32,95 9.496,96 115.598,97 8.904,98 0.518,99 0.856,100 20.422,101 7.847,102 95.577,103 8.238,104 26,105 40,106 0.309,107 0.541,108 0.609,109 0.718,110 0.794,111 0.821,112 3.268,113 1.192,114 -3.01,115 -3.01,116 -2.91,119 42.5,125 2,137 2,141 10,142 1,143 1,156 1,171 10,173 2,177 1,179 2,182 10,186 2,191 2,194 5,198 2,199 9,202 2,204 2,212 6,213 12,216 2,218 2,226 13,231 2,234 2,239 11,244 1,247 6,251 6,259 9,264 2,271 8,274 936,275 16.239,276 16.239,277 16.239,278 16.239,279 16.239,280 13.873,281 12.72,282 9.503,283 16.831,284 13.33,285 13.33,286 13.33,287 13.33,288 13.33,289 9.599,290 15.185,291 4.525,292 14.286,293 3.542,294 2.211,295 1.818,296 1.188,297 0.75,298 0.6,299 3.94,304 1,305 1,306 1,307 450,308 3.464,312 239.221,319 1.139,320 55.431,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 55.5,332 213,333 5.093,334 5.442,335 7.754,336 4.532,337 3.656,338 4.944,339 2.95,340 14.371,341 3.187,342 4.641,343 5.055,344 7.125,345 4,346 3.135,347 4.438,348 2.95,349 11.805,350 2.7,351 3.995,352 3.559,353 5.898,354 3.569,355 2.603,356 3.524,357 1.058,358 8.081,359 2.489,360 3.906,361 3.028,362 5.56,363 3.44,364 2.466,365 3.459,367 7.379,368 2.369,369 3.601,370 2.535,371 5.221,372 3.126,373 2.125,374 2.945,376 6.203,377 2.104,378 3.065,379 2.347,380 4.464,381 2.569,382 1.584,383 2.24,385 3.84,386 1.554,387 2.856,388 2.002,389 3.79,390 2.397,391 1.402,392 1.998,394 3.036,395 1.392,396 2.545,397 1.519,398 3.572,399 2,400 1,401 1.5,403 2.57,404 1,405 2.5,406 1.361,407 3.447,408 2,409 1,410 1.5,412 2.136,413 1,414 2.5,415 1,416 3.359,417 1.969,418 1,419 1.418,421 2.136,422 0.951,423 1.82,424 1,425 3.247,426 1.476,427 0.492,428 0.619,430 1.236,431 0.481,432 1.187,433 0.72,434 3.247,435 0.873,436 -0.072,437 -0.084,439 -0.207,440 -0.067,441 1.108,442 0.448,443 2.679,444 0.651,445 -0.357,446 -0.486,448 -0.899,449 -0.347,450 1,451 0.068,452 2.523,453 0.055,454 -0.917,455 -1.157,457 -2.237,458 -0.775,459 1,460 -0.339,461 2.442,462 0.008,463 -1,464 -1.329,466 -2.335,467 -0.868,468 12.233,469 0.489,470 0.861,471 0.034,472 36.75,473 1.47,474 21.5,475 0.86,476 15.25,477 0.61,478 17.181,479 0.687,480 26.767,481 0.669,482 30.239,483 1.21,484 6.951,485 0.278,486 4.861,487 0.194,488 0.136,489 0.136,490 0.204,493 0.413,494 1.094,495 0.862,496 1.208,497 0.628,498 0.866,499 0.576,500 1.156,501 1.064,502 1.161,503 0.584,504 1.038,505 1.095,506 1.072,507 0.992,508 1.023,509 1.117,510 0.954,511 1.116,512 1.159,513 1.033,514 1.196,515 1.262,516 0.936,517 1.272,518 0.989,519 1.122,520 0.996,521 1.211,522 0.897,523 1.562,524 0.992,525 1.236,526 1.011,527 1.455,528 1.016,529 1.278,530 0.96,531 1.157,532 1.002,533 1.196,534 1.053,535 1.071,536 0.906,537 1.004,538 0.911,539 1.029,540 1.123,541 6.5,542 0.016,543 3.556,544 3,545 2.609,546 1.146,547 0.774,548 0.392,549 0.14,550 0.054,551 5909,552 20677,553 1.996,554 37.5,556 14,559 1,564 1.69,565 1.829,566 3.001,567 -0.238,568 1,569 1,573 71.177,574 1.779,575 3.111,576 3.504,577 4.134,578 4.572,579 4.722,580 2.437,581 4.004,582 4.615,583 3.157,584 947.119,585 8.036,586 10992.9,587 1,588 1,591 212.877,592 1.711,593 4.537,594 0.241,595 0.004,596 0.089,597 0.071,598 0.059,599 0.025,600 0.021,601 0.014,602 0.007,603 0.005,604 0.536,605 0.5,606 1,607 0.65,608 116.877,609 0.114,610 0.01,611 0.247,612 -0.029,613 -0.12,614 0.069,615 0.187,616 -0.126,617 -0.092,618 -0.116,619 0.184,620 -0.121,621 -0.143,622 -0.066,623 0.046,624 0.007,625 -0.164,626 0.013,627 0.094,628 -0.108,629 0.113,630 -0.107,631 -0.039,632 -0.015,633 0.201,634 0.04,635 -0.111,636 -0.004,637 0.306,638 -0.056,639 -0.356,640 0.002,641 -0.243,642 -0.029,643 -0.226,644 -0.098,645 -0.24,646 -0.011,647 -0.19,648 -0.042,649 -0.145,650 -0.068,651 -0.17,652 -0.013,653 -0.162,654 -0.045,655 -0.131,656 -0.105,657 4.939,658 5.642,659 0.72,660 17.258,661 1.027,662 1.107,663 1.783,664 3.177,665 0.723,666 3.332,667 3.714,668 3.951,669 4.263,670 4.522,671 4.394,672 4.477,673 4.511,674 4.454,675 4.369,676 5.108,677 0.691,678 377.47,679 3.332,680 4.905,681 5.759,682 6.681,683 7.567,684 8.494,685 9.396,686 10.325,687 11.238,688 12.167,689 2.5,696 1,707 10,712 2,714 12,733 40,735 18,736 2,737 27,739 42,740 17,741 12,742 2,743 10,744 3,747 3,748 3,762 15,763 2,766 6,769 2,771 5,775 3,778 1,779 1,782 15,783 6,784 1,785 8,786 2,791 1,796 1,797 5,816 3,829 1,835 2,845 3,848 2,854 25,857 2,862 2,864 1,878 12.5,881 5,885 13.667,886 7,887 5.333,888 2.188,890 2.261,891 1.328,892 1.013,893 4.612,894 9.158,895 3.689,896 4.357,897 4.816,898 5.372,899 5.952,900 5.86,901 6.203,902 6.53,903 6.662,904 6.678,905 0.833,906 42,907 9.997,909 5.191,910 8.327,911 17.188,913 14.833,915 2.827,916 70.667,920 164.795,921 122.402,922 18.011,924 113.771,926 12.092,927 110.31,928 278.566,929 18.011,931 19.81,932 106.854,933 121.577,934 5.942,936 164.795,938 164.795,939 128.321,940 113.771,941 12.092,943 164.795,944 113.771,947 19.81,948 105.409,949 15.193,951 164.795,952 131.782,953 122.402,955 12.092,956 164.795,957 15.548,958 94.762,959 18.011,960 113.771,961 164.795,962 131.782,963 122.402,965 0.596,966 0.34,967 0.19,968 0.116,969 20,970 9,971 0.071,972 3,974 1,975 3.45,976 216.038,978 18,979 104.096,984 2,985 17.56,986 6.566,987 3.566,989 131.782,990 16.076,995 0.564,997 18.011,998 418.979,999 39,1002 -7.917,1004 62.716,1008 -2.088,1011 41.076,1012 44.292,1013 0.334,1014 0.585,1015 0.658,1016 0.777,1017 0.859,1018 0.887,1019 4.949,1020 1,1021 5.832,1022 3.036,1023 4.394,1024 5.043,1025 3.639,1026 6.774,1027 4.25,1028 6.239,1029 1,1030 7.484,1031 2.57,1032 4.369,1033 5.338,1035 8.267,1036 4.022,1037 7.643,1038 1,1039 9.266,1040 2.136,1041 6.192,1042 7.474,1043 5.725,1044 11.347,1045 5.815,1046 9.094,1047 0.492,1048 11.127,1049 2.136,1050 6.957,1051 8.547,1053 13.607,1054 6.341,1055 10.582,1056 -0.072,1057 13.038,1058 1.236,1059 8.373,1060 10.28,1061 7.879,1062 16.36,1063 7.699,1064 12.097,1065 -0.357,1066 14.982,1067 -0.207,1068 9.446,1069 11.649,1071 18.871,1072 8.548,1073 13.632,1074 -0.917,1075 16.948,1076 -0.899,1077 10.746,1078 13.265,1079 10.041,1080 21.542,1081 9.754,1082 3.656,1083 -1,1084 18.93,1085 -2.237,1086 11.94,1087 14.753,1089 24.141,1090 10.754,1091 3.135,1092 14.371,1093 20.924,1094 -2.335,1095 13.213,1096 16.336,1097 12.204,1098 26.793,1099 11.907,1100 2.603,1101 11.805,1102 22.926,1103 4.944,1104 14.457,1105 17.874,1107 29.425,1108 12.98,1109 2.466,1110 8.081,1111 24.935,1112 4.438,1113 15.728,1114 19.45,1115 14.368,1116 32.076,1117 14.119,1118 2.125,1119 7.379,1120 26.95,1121 3.524,1122 16.994,1123 21.011,1125 34.722,1126 15.229,1127 1.584,1128 6.203,1129 28.969,1130 3.459,1131 18.271,1132 22.589,1133 16.532,1134 37.376,1135 16.368,1136 1.402,1137 3.84,1138 30.991,1139 2.945,1140 19.547,1141 24.162,1143 40.029,1144 17.498,1145 5853,1146 11127,1147 17.277,1148 28.903,1149 41.269,1150 45.801,1151 42.257,1152 41.133,1153 40.928,1154 57.171,1155 13.917,1156 125.58,1157 38.455,1158 6.051,1159 7.442,1160 7.556,1161 5.744,1162 5.656,1163 7.944,1164 5.9,1165 22.79,1166 5.187,1167 13.034,1168 1.528,1169 1.696,1170 1.565,1171 1.523,1172 1.516,1173 2.117,1174 0.515,1175 4.651,1176 1.424,1177 4.21,1178 4.163,1179 4.875,1180 4.25,1181 7.725,1182 4.125,1183 3.892,1184 3.924,1185 4.556,1186 3.821,1187 7.703,1188 3.815,1189 3.839,1190 3.854,1191 3.836,1192 3.799,1193 7.427,1194 3.761,1195 3.663,1196 3.563,1197 3.781,1198 3.662,1199 6.999,1200 3.491,1201 3.356,1202 3.38,1203 3.331,1204 3.154,1205 6.999,1206 3.171,1207 2.989,1208 3.05,1209 2.861,1210 2.845,1211 4.777,1212 2.843,1213 2.854,1214 2.925,1215 2.687,1216 2.735,1217 4.742,1218 2.715,1219 2.854,1220 2.925,1221 2.687,1222 2.735,1223 4.007,1224 2.715,1225 0.189,1226 0.202,1227 0.287,1228 0.168,1229 0.135,1230 5.093,1231 0.183,1232 5.442,1233 0.109,1234 7.754,1235 0.532,1236 4.532,1237 0.118,1238 3.656,1239 4.944,1240 2.95,1241 14.371,1242 3.187,1243 2.066,1244 2.103,1245 2.033,1246 2.099,1247 1.46,1248 2.163,1249 1.883,1250 1.853,1251 2.006,1252 1.978,1253 1.062,1254 1.991,1255 1.814,1256 1.801,1257 1.784,1258 1.893,1259 1.058,1260 1.931,1261 1.382,1262 1.476,1263 1.427,1264 1.542,1265 0.627,1266 1.579,1267 1.248,1268 1.222,1269 1.181,1270 1.443,1271 0.579,1272 1.461,1273 0.969,1274 0.915,1275 1.181,1276 1.162,1277 0.249,1278 1.187,1279 0.886,1280 0.821,1281 1.181,1282 1.062,1283 0.218,1284 1.107,1285 0.886,1286 0.821,1287 1.016,1288 1.062,1289 0.218,1290 1.107,1291 4.007,1293 5.371,1295 6.94,1297 8.61,1299 10.34,1307 -1.148,1309 2.464,1318 27.657,1319 71.177,1320 124.439,1321 140.148,1322 165.367,1323 182.877,1324 188.877,1325 75.258,1326 6.897,1327 97.38,1328 114.14,1329 18,1330 12.673,1331 4.248,1332 3.7,1333 41.283,1334 72,1335 88,1336 0.274,1337 177.278,1338 314.63,1339 424.319,1340 7827,1342 18.079,1343 0.723,1344 0.587,1345 18.579,1346 14.678,1347 11.811,1348 0.437,1349 0.397,1350 7.634,1351 9.968,1352 7.194,1353 5.921,1354 13.454,1355 10.732,1356 11.644,1357 0.291,1358 0.239,1359 14.216,1360 9.574,1361 8.806,1362 0.173,1363 0.15,1364 10.969,1365 7.667,1366 7.594,1367 0.108,1368 0.101,1369 10.362,1370 7.089,1371 6.651,1372 0.073,1373 0.064,1374 9.842,1375 5.847,1376 0.409,1377 90.276,1378 0.241,1379 23.528,1380 0.828,1381 134,1382 472.731,1383 218.869,1384 493.324,1385 645.6,1386 446,1387 158,1388 406.025,1389 266.758,1390 475.859,1391 690.6,1392 444,1393 4.303}
{0 CHEMBL1313590,1 2.052,2 14.906,3 3.655,4 13.355,5 125.373,6 10.683,7 0.353,8 4.055,9 4.146,10 4.03,11 3.628,12 5.245,13 3.598,14 4.594,15 4.733,16 4.396,17 4.026,18 6.022,19 3.978,20 4.865,21 5.024,22 4.498,23 4.21,24 6.123,25 4.115,26 4.985,27 5.173,28 4.356,29 4.101,30 6.334,31 4.028,32 4.843,33 5.049,34 4.257,35 3.904,36 6.152,37 3.854,38 4.692,39 4.896,40 4.258,41 3.835,42 5.986,43 3.76,44 4.605,45 4.832,46 4.032,47 3.763,48 5.74,49 3.665,50 4.497,51 4.685,52 4.053,53 3.728,54 5.918,55 3.628,56 0.271,57 0.798,58 5.766,59 4.689,60 26.547,61 4.755,62 0.713,63 1.235,64 12.341,65 7.718,66 88.902,67 8.097,68 0.861,69 1.509,70 38.161,71 12.528,72 88.529,73 12.39,74 1.296,75 1.492,76 51.421,77 13.724,78 187.746,79 13.618,80 1.208,81 1.299,82 37.06,83 10.12,84 159.804,85 9.94,86 0.967,87 1.168,88 31.365,89 9.092,90 111.448,91 9.847,92 0.777,93 1.068,94 24.337,95 8.51,96 92.913,97 10.118,98 0.817,99 0.925,100 39.496,101 8.717,102 116.131,103 9.546,104 51,105 48,106 0.341,107 0.653,108 0.754,109 0.831,110 0.831,111 0.831,112 3.501,113 1.06,114 -3.84,115 -3.8,116 -3.61,117 1,119 37.3,125 5,141 7,142 1,143 4,153 1,156 1,164 2,167 1,171 5,173 4,174 2,177 1,182 7,185 3,186 13,189 1,191 1,194 7,198 1,199 14,204 2,207 1,212 3,213 3,218 1,225 3,226 9,229 2,238 1,239 5,242 2,244 1,250 3,251 1,254 2,263 5,264 5,269 2,274 1838,275 20.772,276 20.772,277 20.772,278 20.772,279 20.772,280 18.338,281 21.855,282 12.065,283 21.456,284 16.716,285 16.716,286 16.716,287 16.716,288 16.716,289 13.009,290 21.487,291 5.687,292 17.922,293 3.62,294 1.743,295 1.13,296 0.667,297 0.667,298 0.667,299 4.177,302 1,306 1,307 999,308 4.416,312 385.823,319 2.424,320 54.847,323 0.75,324 0.67,325 0.83,326 0.7,328 0.83,329 1,330 0.68,331 71.583,332 477,333 4.931,334 4.725,335 7.666,336 4.433,337 3.511,338 4.758,339 2.612,340 13.611,341 3.211,342 4.409,343 3.82,344 6.366,345 3.923,346 2.975,347 4.14,348 1.94,349 9.559,350 2.808,351 3.861,352 3.604,353 5.642,354 3.584,355 2.635,356 3.411,357 0.809,358 7.49,359 2.507,360 3.813,361 2.952,362 5.435,363 3.361,364 2.437,365 3.251,366 0.4,367 6.737,368 2.266,369 3.728,370 2.883,371 5.264,372 3.293,373 2.324,374 2.918,376 6.658,377 2.214,378 3.413,379 2.813,380 5.009,381 3.109,382 2.147,383 2.686,385 5.841,386 2.018,387 3.347,388 2.487,389 4.796,390 2.766,391 1.862,392 2.458,394 5.312,395 1.615,396 3.109,397 2.354,398 4.694,399 2.733,400 1.827,401 2.256,403 4.745,404 1.575,405 2.722,406 1.677,407 4.21,408 2.269,409 1.325,410 1.671,412 3.719,413 1.208,414 2.62,415 1.519,416 3.612,417 2.052,418 1.087,419 1.596,421 2.457,422 1.031,423 2.607,424 1.385,425 3.414,426 2,427 1,428 1.524,430 2.374,431 1,432 2.5,433 1.146,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 2,442 1,443 3.411,444 1.967,445 1,446 1,448 2.275,449 0.965,450 1.402,451 1,452 3.003,453 1.104,454 0.186,455 0.211,457 0.445,458 0.155,459 1.124,460 0.818,461 2.777,462 0.887,463 -0.067,464 -0.076,466 -0.162,467 -0.057,468 16.048,469 0.501,470 1.009,471 0.032,472 41.5,473 1.297,474 21,475 0.656,476 20.5,477 0.641,478 27.803,479 0.869,480 34.952,481 0.685,482 33.636,483 1.051,484 8.094,485 0.253,486 7.069,487 0.221,488 0.231,489 0.052,490 0.262,493 0.44,494 1.35,495 0.528,496 1.012,497 0.55,498 0.879,499 0.648,500 1.075,501 0.602,502 0.742,503 0.48,504 0.836,505 0.872,506 1.116,507 1.026,508 1.213,509 0.744,510 1.118,511 1.202,512 1.114,513 0.85,514 1.134,515 1.219,516 1.071,517 1.372,518 0.885,519 0.361,520 0.562,521 1.456,522 0.833,523 0.846,524 0.93,525 0.746,526 0.956,527 0.9,528 1.033,529 0.724,530 0.922,531 0.56,532 0.78,533 0.777,534 0.937,535 0.72,536 0.993,537 1.574,538 1.138,539 0.672,540 1.075,541 8.5,542 0.194,543 4.667,544 2.688,545 1.658,546 1.153,547 0.566,548 0.495,549 0.358,550 0.192,551 15864,552 66592,553 1.968,554 37.3,556 17,558 1,559 1,564 1.737,565 1.803,566 3.816,567 -0.186,573 104.653,574 2.052,575 3.93,576 4.542,577 5.006,578 5.006,579 5.006,580 3.265,581 4.563,582 4.973,583 4.05,584 2008.71,585 8.652,586 31899.7,591 289.294,592 1.663,593 4.899,594 0.25,595 0.008,596 0.097,597 0.054,598 0.038,599 0.031,600 0.017,601 0.017,602 0.012,603 0.007,604 0.53,605 0.33,606 0.75,607 0.792,608 173.493,609 0.158,610 -0.094,611 0.037,612 -0.064,613 -0.039,614 -0.014,615 0.114,616 0.079,617 0.024,618 0.128,619 0.205,620 0.042,621 -0.062,622 -0.026,623 -0.115,624 -0.137,625 0.014,626 -0.131,627 -0.14,628 -0.177,629 -0.075,630 -0.143,631 -0.089,632 -0.064,633 -0.254,634 0.053,635 0.102,636 0.203,637 -0.25,638 0.088,639 0.062,640 0.052,641 0.059,642 -0.065,643 -0.027,644 -0.054,645 0.077,646 0.021,647 0.105,648 0.071,649 -0.025,650 0.085,651 0.184,652 -0.068,653 -0.136,654 -0.075,655 0.2,656 -0.022,657 4.501,658 5.734,659 0.563,660 38.063,661 1.036,662 1.129,663 2.613,664 6.829,665 0.711,666 3.555,667 3.892,668 4.094,669 4.248,670 4.419,671 4.431,672 4.431,673 4.407,674 4.369,675 4.394,676 8.812,677 0.685,678 544.85,679 3.555,680 5.106,681 5.938,682 6.808,683 7.658,684 8.53,685 9.387,686 10.261,687 11.122,688 11.998,689 9.8,692 2,696 1,698 1,700 1,707 7,712 5,714 12,726 1,732 2,733 51,735 18,736 2,737 34,738 1,739 53,740 19,741 12,742 5,743 7,744 1,747 3,748 3,749 1,750 1,762 14,763 5,766 6,768 1,769 1,771 5,773 1,774 1,775 1,782 19,783 9,784 1,785 13,786 3,791 5,796 1,797 5,816 3,841 1,845 3,848 1,849 1,851 1,854 32,858 1,862 5,864 1,868 2,877 2,878 9.8,881 3,884 2,885 17.75,886 9.002,887 6.972,888 2.81,890 2.655,891 1.36,892 0.965,893 8.251,894 10.039,895 3.85,896 4.443,897 4.871,898 5.31,899 5.749,900 5.925,901 6.043,902 5.978,903 6.079,904 6.154,905 0.9,906 50,907 12.084,909 5.436,910 8.243,911 21.749,913 17.707,915 2.743,916 87.778,920 211.88,921 110.471,922 90.818,923 39.149,924 120.205,926 5.807,927 150.617,928 371.233,929 44.864,930 5.67,931 28.417,932 72.141,933 94.981,934 35.355,936 200.109,937 135.85,938 211.88,939 149.527,940 120.205,941 44.956,942 45.954,943 211.88,944 69.458,945 50.747,947 49.723,948 85.087,949 59.674,950 45.954,951 211.88,952 165.069,953 195.573,955 5.807,956 211.88,957 29.282,958 85.694,959 63.842,960 176.016,961 211.88,962 165.069,963 195.573,965 0.592,966 0.336,967 0.163,968 0.086,969 21,970 11,971 0.132,972 7,974 1,975 4.328,976 269.818,978 18,979 148,984 1,985 24.613,986 10.727,987 6.503,989 159.399,990 10.62,995 1.191,997 17.888,998 572.522,999 46,1001 -0.602,1002 -3.584,1004 59.428,1006 1.282,1007 3.811,1008 -0.381,1011 52.844,1012 57.566,1013 0.362,1014 0.693,1015 0.801,1016 0.882,1017 0.882,1018 0.882,1019 5.1,1020 1.827,1021 5.964,1022 5.312,1023 4.575,1024 5.13,1025 2.983,1026 6.799,1027 4.441,1028 6.336,1029 1.325,1030 7.557,1031 4.745,1032 4.369,1033 5.239,1034 2.701,1035 8.023,1036 4.103,1037 7.681,1038 1.087,1039 9.27,1040 3.719,1041 6.24,1042 7.397,1043 4.421,1044 11.068,1045 5.969,1046 9.068,1047 1,1048 11.059,1049 2.457,1050 6.836,1051 8.322,1052 4.715,1053 13.198,1054 6.428,1055 10.493,1056 1,1057 12.904,1058 2.374,1059 8.258,1060 10.051,1061 6.101,1062 15.9,1063 7.827,1064 11.946,1065 1,1066 14.792,1067 2.275,1068 9.211,1069 11.323,1070 6.675,1071 18.353,1072 8.65,1073 13.424,1074 0.186,1075 16.712,1076 2.275,1077 10.488,1078 12.918,1079 7.882,1080 20.979,1081 9.876,1082 3.511,1083 -0.067,1084 18.658,1085 0.445,1086 11.601,1087 14.34,1088 8.615,1089 23.537,1090 10.871,1091 2.975,1092 13.611,1093 20.625,1094 -0.162,1095 12.837,1096 15.894,1097 9.719,1098 26.147,1099 12.035,1100 2.635,1101 9.559,1102 22.607,1103 4.758,1104 14.022,1105 17.382,1106 10.546,1107 28.739,1108 13.111,1109 2.437,1110 7.49,1111 24.601,1112 4.14,1113 15.253,1114 18.926,1115 11.591,1116 31.348,1117 14.258,1118 2.324,1119 6.737,1120 26.605,1121 3.411,1122 16.47,1123 20.445,1124 12.473,1125 33.951,1126 15.373,1127 2.147,1128 6.658,1129 28.616,1130 3.251,1131 17.705,1132 21.988,1133 13.483,1134 36.56,1135 16.518,1136 1.862,1137 5.841,1138 30.633,1139 2.918,1140 18.938,1141 23.523,1142 14.397,1143 39.168,1144 17.653,1145 15497,1146 31962,1147 21.671,1148 36.25,1149 51.042,1150 53.963,1151 52.814,1152 50.999,1153 50.63,1154 66.761,1155 11.523,1156 146.995,1157 47.147,1158 5.931,1159 6.725,1160 7.216,1161 5.501,1162 5.511,1163 7.758,1164 4.612,1165 21.571,1166 5.211,1167 20.524,1168 1.501,1169 1.587,1170 1.553,1171 1.5,1172 1.489,1173 1.964,1174 0.339,1175 4.323,1176 1.387,1177 4.099,1178 4.089,1179 6.88,1180 4.081,1181 7.815,1182 3.992,1183 3.995,1184 4.013,1185 4.741,1186 3.889,1187 7.715,1188 3.893,1189 3.805,1190 3.859,1191 4.074,1192 3.674,1193 7.429,1194 3.655,1195 3.63,1196 3.66,1197 3.699,1198 3.486,1199 6.999,1200 3.443,1201 3.527,1202 3.539,1203 3.572,1204 3.243,1205 6.999,1206 3.268,1207 3.406,1208 3.422,1209 3.52,1210 3.097,1211 4.928,1212 3.148,1213 3.149,1214 3.206,1215 3.477,1216 2.941,1217 4.71,1218 2.968,1219 3.111,1220 3.196,1221 3.301,1222 2.939,1223 4.68,1224 2.91,1225 0.145,1226 0.139,1227 0.225,1228 0.13,1229 0.103,1230 4.931,1231 0.14,1232 4.725,1233 0.077,1234 7.666,1235 0.4,1236 4.433,1237 0.094,1238 3.511,1239 4.758,1240 2.612,1241 13.611,1242 3.211,1243 1.968,1244 1.977,1245 1.988,1246 2.077,1247 1.338,1248 2.098,1249 1.921,1250 1.902,1251 1.978,1252 2.065,1253 1.127,1254 2.036,1255 1.762,1256 1.705,1257 1.923,1258 1.932,1259 1.096,1260 1.944,1261 1.471,1262 1.458,1263 1.598,1264 1.763,1265 0.825,1266 1.713,1267 1.31,1268 1.296,1269 1.513,1270 1.643,1271 0.798,1272 1.58,1273 1.211,1274 1.191,1275 1.353,1276 1.469,1277 0.513,1278 1.479,1279 1.153,1280 1.064,1281 1.253,1282 1.376,1283 0.324,1284 1.429,1285 1.063,1286 1.016,1287 1.181,1288 1.294,1289 0.218,1290 1.304,1291 4.234,1293 5.565,1295 7.083,1297 8.684,1299 10.33,1300 3.287,1302 5.759,1307 1.379,1309 2.364,1313 3.224,1318 34.935,1319 104.653,1320 200.423,1321 231.642,1322 255.294,1323 255.294,1324 255.294,1325 101.765,1326 7.383,1327 127.9,1328 136.28,1329 18,1330 12.54,1331 4.248,1332 3.7,1333 61.845,1334 173,1335 150,1336 0.172,1337 229.828,1338 406.57,1339 552.542,1340 17879,1341 3.9,1342 23.303,1343 0.728,1344 0.619,1345 25.053,1346 19.807,1347 15.163,1348 0.446,1349 0.353,1350 9.434,1351 12.753,1352 9.082,1353 7.447,1354 16.817,1355 12.016,1356 14.332,1357 0.299,1358 0.212,1359 16.838,1360 10.156,1361 11.235,1362 0.19,1363 0.127,1364 13.512,1365 7.481,1366 8.561,1367 0.124,1368 0.071,1369 10.315,1370 4.924,1371 6.488,1372 0.079,1373 0.046,1374 8.113,1375 3.758,1376 0.283,1377 116.005,1378 0.215,1379 30.831,1380 0.436,1381 164,1382 625.309,1383 305.581,1384 679.426,1385 866.87,1386 618,1387 189,1388 538.843,1389 297.559,1390 595.173,1391 856.85,1392 554,1393 4.312}
{0 CHEMBL1314602,1 1.805,2 8.368,3 3.347,4 11.202,5 72.402,6 9.494,7 0.571,8 3.512,9 3.582,10 3.351,11 3.153,12 4.757,13 3.137,14 3.988,15 4.091,16 3.752,17 3.546,18 5.261,19 3.503,20 4.143,21 4.264,22 3.832,23 3.604,24 5.465,25 3.552,26 4.118,27 4.26,28 3.601,29 3.5,30 5.399,31 3.416,32 4.019,33 4.193,34 3.459,35 3.294,36 5.513,37 3.222,38 3.734,39 3.908,40 3.077,41 3.048,42 4.904,43 2.99,44 3.595,45 3.768,46 2.984,47 2.892,48 4.904,49 2.832,50 3.507,51 3.709,52 2.644,53 2.652,54 4.795,55 2.567,56 0.081,57 0.448,58 3.815,59 2.588,60 4.773,61 2.574,62 0.246,63 0.72,64 8.185,65 4.674,66 12.987,67 4.38,68 0.318,69 0.887,70 12.326,71 5.88,72 29.828,73 5.045,74 0.32,75 0.846,76 15.042,77 6.14,78 26.154,79 5.298,80 0.479,81 0.772,82 14.755,83 5.591,84 59.472,85 5.626,86 0.207,87 0.489,88 8.439,89 3.8,90 28.97,91 4.141,92 0.229,93 0.476,94 6.418,95 3.116,96 13.576,97 3.431,98 0.202,99 0.491,100 10.571,101 3.775,102 21.642,103 3.699,104 11,105 30,106 0.344,107 0.636,108 0.739,109 0.842,110 0.842,111 0.842,112 3.011,113 0.917,114 -4.43,115 -4.36,116 -4.11,119 48.3,124 1,141 7,142 1,143 4,156 1,171 4,173 1,174 6,182 4,186 7,194 4,199 4,207 2,212 1,213 3,221 6,234 6,238 1,239 1,247 2,251 2,264 1,274 405,275 12.886,276 12.886,277 12.886,278 12.886,279 12.886,280 11.344,281 15.142,282 7.409,283 13.266,284 10.277,285 10.277,286 10.277,287 10.277,288 10.277,289 7.857,290 17.817,291 3.439,292 10.816,293 3.052,294 1.519,295 0.98,296 0.44,297 0.44,298 0.44,299 3.688,305 1,306 1,307 342,308 2.121,311 36.12,312 101.454,315 70.531,319 1.269,320 23.909,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 42,332 159,333 4.514,334 4.173,335 6.802,336 4.202,337 3.237,338 4.09,339 1.058,340 11.173,341 3.117,342 4.068,343 3.445,344 6.013,345 3.65,346 2.684,347 3.667,348 0.86,349 8.535,350 2.589,351 3.721,352 2.909,353 5.323,354 3.327,355 2.385,356 3.079,358 6.8,359 2.237,360 3.438,361 2.846,362 5.031,363 3.027,364 2.092,365 2.74,367 5.84,368 1.947,369 3.211,370 2.545,371 4.954,372 2.778,373 1.819,374 2.406,376 5.445,377 1.7,378 2.664,379 1.65,380 4.42,381 2.293,382 1.323,383 1.702,385 3.918,386 1.275,387 2.5,388 1.326,389 3.484,390 2,391 1,392 1.5,394 2.275,395 1,396 2.186,397 1.071,398 3.414,399 1.777,400 0.776,401 1.034,403 1.91,404 0.764,405 1.645,406 1,407 2.865,408 1.361,409 0.494,410 0.55,412 0.781,413 0.424,414 1.279,415 0.856,416 2.513,417 0.836,418 -0.095,419 -0.121,421 -0.211,422 -0.085,423 0.759,424 0.08,425 2.355,426 0.392,427 -0.538,428 -0.65,430 -1.113,431 -0.486,432 0.69,433 -0.198,434 2.268,435 0.227,436 -0.786,437 -1.111,439 -2.08,440 -0.777,441 0.5,442 -0.619,443 2,445 -0.934,446 -1.154,448 -2.666,449 -0.838,450 0.366,451 -1,452 1.933,453 -0.016,454 -1,455 -1.5,457 -3,458 -1,459 -0.116,460 -1.009,461 1.447,462 -0.462,463 -1.37,464 -1.65,466 -3.645,467 -1.254,468 9.186,469 0.483,470 0.486,471 0.026,472 27,473 1.421,474 15,475 0.789,476 12,477 0.632,478 11.729,479 0.617,480 19.614,481 0.676,482 17.624,483 0.928,484 5.467,485 0.288,486 3.719,487 0.196,488 0.122,490 0.37,492 1,493 0.606,494 0.975,495 0.61,496 0.918,497 0.521,498 0.813,499 0.83,500 0.877,501 0.766,502 0.777,503 0.605,504 0.746,505 1.106,506 1.051,507 1.059,508 1.041,509 1.026,510 0.926,511 1.094,512 1.056,513 1.478,514 1.272,515 1.024,516 1.143,517 0.687,518 0.803,519 0.976,520 1.027,521 1.003,522 0.978,523 0.758,524 0.801,525 0.683,526 0.9,527 0.921,528 1.013,529 0.728,530 0.997,531 0.744,532 0.904,533 0.598,534 1.061,535 1.31,536 1.397,537 1.497,538 1.437,539 1.277,540 1.235,541 4,542 0.037,543 2.444,544 1.576,545 1.241,546 0.629,547 0.257,548 0.241,549 0.103,550 0.06,551 3150,552 11059,553 2.081,554 34.5,556 10,564 1.603,565 1.932,566 3.042,567 -0.724,569 1,570 1,571 1,573 52.359,574 1.805,575 3.339,576 3.878,577 4.418,578 4.418,579 4.418,580 2.505,581 3.616,582 4.216,583 3.121,584 533.72,585 7.181,586 5069.94,587 1,588 1,589 1,590 1,591 140.881,592 1.462,593 4.171,594 0.19,595 0.012,596 0.081,597 0.053,598 0.052,599 0.031,600 0.017,601 0.019,602 0.011,603 0.012,604 0.479,605 0.83,606 1,607 0.868,608 81.444,609 -0.011,610 -0.134,611 0.076,612 -0.075,613 -0.049,614 -0.013,615 -0.047,617 0.096,618 0.157,620 0.116,621 -0.156,622 -0.034,623 -0.023,624 -0.011,625 -0.092,626 -0.028,627 -0.199,628 -0.103,629 -0.313,630 -0.177,631 -0.104,632 -0.195,633 0.284,634 0.104,635 0.084,636 -0.017,637 0.2,638 0.043,639 -0.01,640 -0.096,641 0.097,642 -0.062,643 -0.102,644 -0.008,645 0.149,646 -0.098,647 0.055,648 -0.063,649 0.13,650 -0.096,651 -0.123,652 -0.198,653 -0.257,654 -0.306,655 -0.039,656 -0.136,657 2.065,658 5.211,659 0.789,660 12.432,661 1.026,662 1.112,663 3.205,664 10.272,665 0.735,666 3.091,667 3.434,668 3.738,669 4.007,670 4.248,671 4.304,672 4.419,673 4.489,674 4.407,675 4.331,676 4.76,677 0.712,678 275.32,679 3.091,680 4.635,681 5.501,682 6.392,683 7.28,684 8.178,685 9.075,686 9.977,687 10.878,688 11.783,689 3.4,696 1,707 7,712 5,714 12,730 1,732 1,733 29,735 13,736 2,737 21,739 31,740 14,741 12,742 5,743 7,744 1,747 3,748 4,762 13,763 1,766 1,771 1,775 1,779 1,780 1,782 10,783 4,785 5,786 1,791 1,796 0.667,797 2,815 1,816 2,819 1,845 2,848 1,850 1,852 1,854 19,858 1,865 1,866 1,868 1,877 1,878 6.9,881 1,883 1,885 9.833,886 5.676,887 4.194,888 1.586,890 2.357,891 1.353,892 1.005,893 3.109,894 9.034,895 3.367,896 3.97,897 4.549,898 5.089,899 5.632,900 5.769,901 6.098,902 6.403,903 6.634,904 6.891,905 0.833,906 30,907 7.024,909 3.058,910 8.044,911 13.016,913 10.63,915 2.544,916 48.333,917 0.001,920 117.711,921 135.76,922 1.519,924 36.145,925 14.96,926 31.981,927 103.779,928 153.856,929 16.479,930 10.883,931 1.519,932 66.334,933 29.85,934 32.857,935 14.96,936 149.692,938 117.711,939 105.298,940 51.105,941 31.981,943 132.671,944 36.145,947 1.519,948 103.779,950 31.981,951 132.671,952 37.663,953 135.76,956 117.711,957 58.543,958 78.735,960 51.105,961 117.711,962 52.623,963 135.76,965 0.586,966 0.353,967 0.188,968 0.107,969 16,970 7,971 0.065,972 2,973 1,974 1.133,975 3.122,976 143.445,977 0.133,978 15,979 76.711,981 1,985 12.363,986 4.779,987 2.166,989 52.623,990 11.416,995 2.24,998 306.094,999 28,1004 12.211,1008 -0.204,1011 29.764,1012 32.253,1013 0.372,1014 0.687,1015 0.798,1016 0.909,1017 0.909,1018 0.909,1019 4.605,1020 0.776,1021 5.501,1022 2.275,1023 4.111,1024 4.654,1025 1.552,1026 6.34,1027 4.019,1028 5.819,1029 0.494,1030 7.081,1031 1.91,1032 3.761,1033 4.46,1035 7.294,1036 3.609,1037 7.132,1038 -0.095,1039 8.759,1040 0.781,1041 5.733,1042 6.827,1043 1.527,1044 10.407,1045 5.561,1046 8.481,1047 -0.538,1048 10.493,1049 -0.211,1050 6.196,1051 7.401,1053 12.199,1054 5.969,1055 9.859,1056 -0.786,1057 12.265,1058 -1.113,1059 7.656,1060 9.263,1061 1.53,1062 14.848,1063 7.412,1064 11.258,1065 -0.934,1066 14.064,1067 -2.08,1068 8.494,1069 10.202,1071 16.997,1072 8.202,1073 12.675,1074 -1,1075 15.883,1076 -2.666,1077 9.759,1078 11.841,1079 1.557,1080 19.49,1081 9.445,1082 3.237,1083 -1.37,1084 17.719,1085 -3,1086 10.774,1087 12.976,1089 21.79,1090 10.416,1091 2.684,1092 11.173,1093 19.568,1094 -3.645,1095 11.966,1096 14.501,1097 1.603,1098 24.228,1099 11.582,1100 2.385,1101 8.535,1102 21.428,1103 4.09,1104 13.064,1105 15.747,1107 26.592,1108 12.638,1109 2.092,1110 6.8,1111 23.297,1112 3.667,1113 14.233,1114 17.212,1115 1.663,1116 29.012,1117 13.777,1118 1.819,1119 5.84,1120 25.173,1121 3.079,1122 15.368,1123 18.522,1125 31.402,1126 14.873,1127 1.323,1128 5.445,1129 27.056,1130 2.74,1131 16.533,1132 19.955,1133 1.734,1134 33.816,1135 16.003,1136 1,1137 3.918,1138 28.944,1139 2.406,1140 17.686,1141 21.302,1143 36.219,1144 17.118,1145 3113,1146 5942,1147 13.929,1148 21.307,1149 31.894,1150 34.71,1151 33.186,1152 31.687,1153 31.623,1154 41.536,1155 3.837,1156 93.353,1157 30.105,1158 5.352,1159 6.173,1160 6.353,1161 5.252,1162 5.237,1163 7.09,1164 2.117,1165 18.523,1166 5.117,1167 9.061,1168 1.519,1169 1.653,1170 1.58,1171 1.509,1172 1.506,1173 1.978,1174 0.183,1175 4.445,1176 1.434,1177 4.006,1178 4.021,1179 4.142,1180 3.949,1181 8.201,1182 3.935,1183 3.85,1184 3.87,1185 3.802,1186 3.782,1187 7.428,1188 3.781,1189 3.361,1190 3.389,1191 3.462,1192 3.176,1193 4.869,1194 3.182,1195 3.192,1196 3.248,1197 3.056,1198 2.934,1199 4.586,1200 2.94,1201 2.895,1202 2.937,1203 3.011,1204 2.811,1205 4.363,1206 2.775,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.724,1212 2.715,1213 2.707,1214 2.759,1215 2.597,1216 2.576,1217 3.674,1218 2.566,1219 2.446,1220 2.46,1221 2.498,1222 2.207,1223 3.564,1224 2.23,1225 0.215,1226 0.199,1227 0.324,1228 0.2,1229 0.154,1230 4.514,1231 0.195,1232 4.173,1233 0.05,1234 6.802,1235 0.532,1236 4.202,1237 0.148,1238 3.237,1239 4.09,1240 1.058,1241 11.173,1242 3.117,1243 1.882,1244 1.861,1245 1.98,1246 1.987,1247 1.072,1248 1.985,1249 1.857,1250 1.841,1251 1.926,1252 1.932,1253 1.059,1254 1.936,1255 1.247,1256 1.216,1257 1.57,1258 1.539,1259 0.577,1260 1.544,1261 1.12,1262 1.064,1263 1.247,1264 1.371,1265 0.326,1266 1.344,1267 0.886,1268 0.838,1269 1.181,1270 1.062,1271 0.218,1272 1.107,1273 0.845,1274 0.821,1275 1.004,1276 0.997,1277 0.126,1278 0.997,1279 0.774,1280 0.714,1281 0.899,1282 0.94,1283 0.056,1284 0.966,1285 0.472,1286 0.442,1287 0.626,1288 0.686,1290 0.705,1291 3.761,1293 5.094,1294 2.398,1295 6.629,1296 4.844,1297 8.252,1298 7.034,1299 9.92,1301 1.587,1303 13.167,1310 5.076,1311 1.296,1313 1.545,1318 20.655,1319 52.359,1320 96.824,1321 112.475,1322 128.127,1323 128.127,1324 128.127,1325 31.373,1326 6.677,1327 31.23,1328 59.47,1329 17,1330 12.302,1331 3.807,1332 3,1333 27.833,1334 53,1335 62,1336 0.267,1337 129.507,1338 226.56,1339 307.757,1340 5882,1341 3.4,1342 13.405,1343 0.706,1344 0.574,1345 12.889,1346 10.908,1347 9.186,1348 0.437,1349 0.306,1350 5.614,1351 8.327,1352 5.414,1353 4.48,1354 9.2,1355 6.422,1356 8.29,1357 0.276,1358 0.167,1359 8.272,1360 5.017,1361 7.31,1362 0.178,1363 0.097,1364 7.861,1365 3.965,1366 5.952,1367 0.11,1368 0.053,1369 6.718,1370 2.864,1371 4.946,1372 0.072,1373 0.029,1374 5.404,1375 1.975,1376 0.404,1377 62.294,1378 0.268,1379 18.768,1380 0.768,1381 102,1382 390.088,1383 139.294,1384 366.81,1385 491.17,1386 342,1387 122,1388 337.947,1389 159.946,1390 352.949,1391 518.3,1392 331,1393 4.701}
{0 CHEMBL1315870,1 1.479,2 10.455,3 4.434,4 19.658,5 120.897,6 7.15,7 0.167,8 4.252,9 4.352,10 3.772,11 3.738,12 5.32,13 3.726,14 4.856,15 5.021,16 4.196,17 4.158,18 5.97,19 4.13,20 5.163,21 5.353,22 4.285,23 4.344,24 6.209,25 4.29,26 5.224,27 5.427,28 4.334,29 4.366,30 6.294,31 4.309,32 5.223,33 5.412,34 4.27,35 4.313,36 6.422,37 4.264,38 5.141,39 5.317,40 4.238,41 4.238,42 6.329,43 4.201,44 5.099,45 5.272,46 4.175,47 4.25,48 6.209,49 4.196,50 5.131,51 5.326,52 4.152,53 4.306,54 6.175,55 4.226,56 0.081,57 0.856,58 14.026,59 6.569,60 13.413,61 8.213,62 0.497,63 1.429,64 28.246,65 10.919,66 66.218,67 14.511,68 0.901,69 1.79,70 40.566,71 14.153,72 85.104,73 18.757,74 0.869,75 1.848,76 43.349,77 15.434,78 87.721,79 20.694,80 1.012,81 1.78,82 44.038,83 14.612,84 154.947,85 19.089,86 1.153,87 1.647,88 40.637,89 13.14,90 121.743,91 17.087,92 1.054,93 1.631,94 38.528,95 12.967,96 97.398,97 16.805,98 0.597,99 1.761,100 38.712,101 13.984,102 80.777,103 18.81,104 56,105 53,106 0.238,107 0.547,108 0.776,109 0.865,110 0.865,111 0.865,112 3.533,113 0.972,114 -3.92,115 -3.87,116 -3.67,119 39.1,120 3,121 7,125 2,127 1,130 1,134 1,135 1,141 1,142 2,143 3,156 3,165 1,169 1,171 9,173 2,174 13,175 1,177 1,182 13,183 1,185 3,186 6,189 1,191 1,194 10,195 1,198 3,199 13,200 1,204 1,207 14,212 1,213 12,214 1,216 1,221 7,225 3,226 14,229 1,234 7,238 4,239 10,247 10,248 2,251 9,256 2,259 8,260 1,263 2,264 14,265 2,269 1,271 9,272 3,274 2030,275 21.731,276 21.731,277 21.731,278 21.731,279 21.731,280 20.367,281 29.69,282 12.607,283 22.129,284 17.736,285 17.736,286 17.736,287 17.736,288 17.736,289 15.331,290 37.688,291 5.914,292 18.397,293 4.521,294 2.601,295 1.184,296 0.629,297 0.629,298 0.629,299 4.221,305 1,306 1,307 732,308 4.301,311 84.979,312 214.114,316 239.836,319 1.41,320 52.861,323 1,324 0.83,325 1,326 1,327 1,328 1,329 1,330 0.98,331 73.5,332 345,333 4.671,334 3.9,335 7.006,336 4.326,337 3.366,338 4.375,339 2.378,340 12.001,341 3.234,342 4.249,343 3.729,344 6.738,345 4.111,346 3.154,347 3.484,348 2.053,349 11.031,350 3.003,351 4.185,352 3.599,353 6.608,354 4.03,355 3.071,356 3.329,357 1.674,358 10.417,359 2.936,360 3.888,361 3.565,362 6.127,363 3.553,364 2.565,365 3.091,366 0.936,367 8.853,368 2.529,369 3.692,370 3.242,371 5.493,372 3.354,373 2.397,374 2.964,375 0.86,376 7.119,377 2.294,378 3.572,379 2.803,380 5.417,381 3.237,382 2.242,383 2.747,384 0.545,385 6.538,386 2.196,387 3.277,388 2.576,389 5.141,390 2.906,391 1.927,392 2.496,394 5.919,395 1.867,396 3.18,397 2.471,398 4.858,399 2.839,400 1.882,401 2.265,403 5.398,404 1.79,405 2.861,406 2.242,407 4.27,408 2.614,409 1.616,410 1.838,412 3.849,413 1.595,414 2.452,415 1.731,416 4.141,417 2.347,418 1.364,419 1.43,421 3.213,422 1.335,423 2.274,424 1.474,425 3.608,426 2.143,427 1.194,428 1.253,430 2.635,431 1.122,432 1.951,433 1.317,434 3.496,435 1.855,436 0.901,437 0.93,439 2.22,440 0.853,441 1.871,442 1.277,443 3.289,444 1.715,445 0.73,446 0.784,448 1.743,449 0.709,450 1.713,451 1.115,452 3.28,453 1.407,454 0.442,455 0.504,457 1.027,458 0.419,459 1.409,460 0.823,461 3.112,462 1.257,463 0.283,464 0.308,466 0.545,467 0.273,468 15.233,469 0.462,470 1.06,471 0.032,472 34.75,473 1.053,474 13.5,475 0.409,476 21.25,477 0.644,478 38.472,479 1.166,480 38.167,481 0.596,482 29.453,483 0.893,484 6.144,485 0.186,486 9.554,487 0.29,488 0.186,489 0.033,490 0.354,493 0.752,494 1.375,495 0.804,496 1.26,497 0.621,498 1.077,499 0.68,500 1.157,501 0.758,502 1.08,503 0.418,504 0.954,505 1.033,506 0.937,507 0.994,508 0.967,509 0.832,510 0.967,511 0.856,512 1.033,513 0.838,514 1.041,515 0.913,516 0.953,517 1.271,518 1.043,519 1.063,520 1.035,521 1.162,522 1.01,523 1.28,524 1.035,525 1.089,526 1.009,527 1.074,528 1.007,529 1.285,530 0.998,531 1.167,532 0.983,533 0.952,534 1.043,535 1.003,536 1.207,537 1.09,538 1.179,539 1.021,540 1.157,541 8,542 0.347,543 4.222,544 2.993,545 2.904,546 1.455,547 1.078,548 0.832,549 0.592,550 0.468,551 13451,552 35998,553 2.018,554 48.4,555 11,556 7,559 1,561 12,564 1.761,565 1.842,566 3.343,567 -0.352,569 1,573 94.672,574 1.479,575 3.399,576 4.816,577 5.371,578 5.371,579 5.371,580 2.66,581 4.718,582 5.015,583 3.535,584 1866.32,585 8.831,586 27322.4,591 384,592 1.681,593 4.943,594 0.222,595 0.009,596 0.08,597 0.053,598 0.05,599 0.027,600 0.021,601 0.017,602 0.012,603 0.01,604 0.503,605 0.33,606 1,607 1.178,608 172.032,609 -0.038,610 -0.125,611 0.05,612 -0.057,613 -0.037,614 0.004,615 0.142,616 -0.022,617 0.162,618 0.001,619 0.182,620 0.073,621 -0.027,622 0.12,623 -0.023,624 0.05,625 -0.044,626 0.02,627 0.092,628 -0.031,629 0.128,630 -0.017,631 -0.019,632 0.053,633 -0.088,634 -0.057,635 -0.056,636 -0.039,637 -0.019,638 -0.04,639 -0.012,640 -0.032,641 -0.07,642 -0.018,643 -0.021,644 -0.052,645 -0.092,646 0.033,647 -0.168,648 0.027,649 -0.053,650 -0.075,651 -0.121,652 -0.153,653 -0.146,654 -0.144,655 -0.086,656 -0.15,657 2.667,658 5.805,659 0.576,660 32.531,661 1.01,662 1.128,663 2.687,664 7.218,665 0.635,666 3.611,667 3.989,668 4.263,669 4.595,670 4.86,671 5.03,672 5.165,673 5.403,674 5.509,675 5.576,676 6.62,677 0.608,678 457.57,679 3.611,680 5.187,681 6.052,682 6.969,683 7.86,684 8.782,685 9.684,686 10.61,687 11.518,688 12.446,689 1.6,696 1,707 1,712 5,714 6,730 2,733 64,735 10,736 1,737 36,739 67,740 25,741 6,742 5,743 1,744 3,747 4,748 7,753 3,757 5,758 1,760 8,762 11,763 14,764 1,766 4,771 3,773 1,775 4,782 31,783 8,784 1,785 8,791 1,796 0.5,797 7,812 1,815 1,816 3,820 2,830 1,831 1,832 1,835 1,836 1,843 1,845 2,850 3,854 33,861 1,862 9,865 3,867 1,868 1,869 1,878 10.9,880 1,881 3,883 3,885 17.917,886 12.4,887 7.139,888 4.329,890 1.794,891 1.22,892 0.92,893 6.943,894 9.943,895 3.784,896 4.324,897 4.802,898 5.36,899 5.894,900 6.267,901 6.586,902 6.987,903 7.225,904 7.328,905 0.857,906 56,907 12.423,909 5.505,910 7.942,911 23.469,913 19.875,915 2.442,916 80.583,920 353.133,921 107.961,922 3.124,924 151.118,927 107.961,928 504.251,929 3.124,930 26.476,931 27.564,932 18.952,933 130.924,934 58.287,936 353.133,938 353.133,939 111.085,940 151.118,943 211.88,944 292.371,947 54.04,948 47.569,949 9.476,951 353.133,952 154.242,953 107.961,956 353.133,957 62.533,958 48.552,960 151.118,961 353.133,962 154.242,963 107.961,965 0.591,966 0.339,967 0.19,968 0.111,969 26,970 13,971 0.104,972 7,973 2,974 1.211,975 4.126,976 320.392,977 0.211,978 19,979 164.465,985 23.934,986 9.573,987 5.007,989 154.242,990 1.778,995 2.976,997 42.683,998 615.336,999 43,1004 36.643,1006 1.494,1008 -0.975,1011 64.647,1012 72.192,1013 0.247,1014 0.566,1015 0.803,1016 0.895,1017 0.895,1018 0.895,1019 5.091,1020 1.882,1021 6.094,1022 5.919,1023 4.673,1024 5.011,1025 3.278,1026 6.986,1027 4.598,1028 6.305,1029 1.616,1030 7.708,1031 5.398,1032 4.511,1033 5.027,1034 2.619,1035 8.172,1036 4.402,1037 7.642,1038 1.364,1039 9.427,1040 3.849,1041 6.382,1042 7.119,1043 4.428,1044 11.235,1045 6.225,1046 9.008,1047 1.194,1048 11.206,1049 3.213,1050 6.995,1051 7.899,1052 4.508,1053 13.188,1054 6.795,1055 10.405,1056 0.901,1057 13.023,1058 2.635,1059 8.404,1060 9.567,1061 5.826,1062 15.828,1063 8.161,1064 11.822,1065 0.73,1066 14.865,1067 2.22,1068 9.342,1069 10.691,1070 6.268,1071 18.074,1072 9.053,1073 13.255,1074 0.442,1075 16.725,1076 1.743,1077 10.594,1078 12.219,1079 7.35,1080 20.582,1081 10.262,1082 3.366,1083 0.283,1084 18.597,1085 1.027,1086 11.671,1087 13.514,1088 7.984,1089 22.946,1090 11.293,1091 3.154,1092 12.001,1093 20.478,1094 0.545,1095 12.87,1096 14.997,1097 8.949,1098 25.412,1099 12.449,1100 3.071,1101 11.031,1102 22.368,1103 4.375,1104 14.007,1105 16.379,1106 9.687,1107 27.825,1108 13.541,1109 2.565,1110 10.417,1111 24.263,1112 3.484,1113 15.19,1114 17.848,1115 10.594,1116 30.28,1117 14.682,1118 2.397,1119 8.853,1120 26.163,1121 3.329,1122 16.353,1123 19.275,1124 11.389,1125 32.716,1126 15.801,1127 2.242,1128 7.119,1129 28.068,1130 3.091,1131 17.535,1132 20.743,1133 12.269,1134 35.171,1135 16.941,1136 1.927,1137 6.538,1138 29.976,1139 2.964,1140 18.71,1141 22.193,1142 13.094,1143 37.62,1144 18.073,1145 13141,1146 21699,1147 23.175,1148 40.608,1149 55.022,1150 57.445,1151 56.835,1152 54.302,1153 54.305,1154 63.632,1155 16.894,1156 165.116,1157 52.343,1158 5.638,1159 5.9,1160 6.867,1161 5.428,1162 5.366,1163 7.375,1164 4.052,1165 19.599,1166 5.234,1167 20.297,1168 1.528,1169 1.596,1170 1.579,1171 1.508,1172 1.508,1173 1.768,1174 0.469,1175 4.587,1176 1.454,1177 4.067,1178 4.077,1179 4.031,1180 3.976,1181 7.474,1182 3.986,1183 3.893,1184 3.94,1185 3.81,1186 3.72,1187 7.434,1188 3.732,1189 3.768,1190 3.809,1191 3.669,1192 3.649,1193 7.426,1194 3.645,1195 3.622,1196 3.679,1197 3.473,1198 3.49,1199 6.351,1200 3.476,1201 3.483,1202 3.502,1203 3.387,1204 3.299,1205 4.931,1206 3.305,1207 3.385,1208 3.425,1209 3.291,1210 3.203,1211 4.569,1212 3.22,1213 3.271,1214 3.28,1215 3.163,1216 3.013,1217 4.44,1218 3.027,1219 3.188,1220 3.242,1221 3.046,1222 2.986,1223 4.222,1224 3.007,1225 0.13,1226 0.108,1227 0.195,1228 0.12,1229 0.094,1230 4.671,1231 0.122,1232 3.9,1233 0.066,1234 7.006,1235 0.333,1236 4.326,1237 0.09,1238 3.366,1239 4.375,1240 2.378,1241 12.001,1242 3.234,1243 1.996,1244 1.988,1245 2.09,1246 2.105,1247 1.373,1248 2.097,1249 1.764,1250 1.721,1251 1.988,1252 1.918,1253 1.288,1254 1.941,1255 1.636,1256 1.594,1257 1.856,1258 1.864,1259 1.213,1260 1.841,1261 1.614,1262 1.563,1263 1.851,1264 1.792,1265 1.064,1266 1.809,1267 1.564,1268 1.506,1269 1.74,1270 1.767,1271 1.004,1272 1.786,1273 1.41,1274 1.369,1275 1.646,1276 1.59,1277 0.836,1278 1.598,1279 1.26,1280 1.216,1281 1.529,1282 1.514,1283 0.72,1284 1.517,1285 1.146,1286 1.092,1287 1.438,1288 1.376,1289 0.643,1290 1.4,1291 4.29,1293 5.652,1294 2.398,1295 7.204,1296 4.595,1297 8.857,1298 6.605,1299 10.569,1301 6.075,1306 9.392,1307 5.217,1310 17.815,1312 -0.816,1313 1.362,1314 -0.377,1318 38.927,1319 94.672,1320 217.52,1321 308.251,1322 343.735,1323 343.735,1324 343.735,1325 92.284,1326 8.148,1327 106.28,1328 106.28,1329 23,1330 12.953,1331 3.459,1332 3,1333 53.912,1334 126,1335 134,1336 0.203,1337 235.282,1338 434.77,1339 565.847,1340 39655,1342 23.75,1343 0.72,1344 0.589,1345 23.75,1346 19.44,1347 15.698,1348 0.436,1349 0.324,1350 11.493,1351 14.958,1352 11.172,1353 9.229,1354 15.698,1355 11.666,1356 15.104,1357 0.285,1358 0.179,1359 15.104,1360 9.484,1361 11.826,1362 0.169,1363 0.093,1364 11.826,1365 6.495,1366 10.39,1367 0.106,1368 0.048,1369 10.39,1370 4.739,1371 8.587,1372 0.067,1373 0.025,1374 8.587,1375 3.235,1376 0.311,1377 99.518,1378 0.208,1379 30.032,1380 0.581,1381 178,1382 574.208,1383 202.337,1384 528.767,1385 707.46,1386 492,1387 212,1388 514.108,1389 235.042,1390 506.99,1391 752.38,1392 477,1393 4.586}
{0 CHEMBL1315948,1 1.612,2 10.429,3 7.729,4 59.741,5 120.726,6 9.291,7 0.742,8 3.931,9 4.032,10 3.737,11 3.638,12 5.042,13 3.572,14 4.408,15 4.541,16 4.164,17 4.011,18 5.489,19 3.929,20 4.637,21 4.819,22 4.246,23 4.134,24 5.663,25 4.012,26 4.643,27 4.82,28 4.507,29 4.151,30 5.729,31 4.002,32 4.6,33 4.781,34 4.273,35 4.093,36 5.669,37 3.962,38 4.497,39 4.662,40 4.14,41 4.008,42 5.589,43 3.905,44 4.523,45 4.685,46 4.05,47 4.039,48 5.606,49 3.917,50 4.55,51 4.732,52 3.987,53 4.041,54 5.597,55 3.889,56 0.037,57 0.615,58 6.444,59 3.679,60 5.632,61 4.679,62 0.079,63 1.017,64 13.888,65 6.421,66 11.159,67 8.168,68 0.162,69 1.247,70 24.721,71 9.36,72 21.22,73 11.321,74 0.341,75 1.261,76 36.851,77 9.916,78 30.628,79 10.945,80 0.268,81 1.259,82 31.748,83 10.215,84 27.249,85 10.847,86 0.244,87 1.139,88 22.754,89 7.897,90 21.25,91 8.459,92 0.21,93 1.028,94 24.844,95 7.894,96 25.128,97 9.465,98 0.151,99 1.033,100 25.871,101 9.17,102 26.797,103 11.477,104 11,105 43,106 0.272,107 0.553,108 0.662,109 0.784,110 0.82,111 0.82,112 3.375,113 1.025,114 -7.15,115 -6.94,116 -6.42,119 47.8,120 1,121 1,141 12,142 2,143 4,159 1,160 1,166 1,171 12,174 1,177 1,179 3,182 19,184 4,186 3,191 2,193 1,194 11,197 2,199 4,204 2,207 15,210 5,213 7,218 3,221 7,223 3,226 2,231 7,234 13,236 2,239 1,244 2,247 17,249 1,251 1,259 24,261 1,271 20,273 1,274 1264,275 19.231,276 19.231,277 19.231,278 19.231,279 19.231,280 16.432,281 22.652,282 11.398,283 19.789,284 15.26,285 15.26,286 15.26,287 15.26,288 15.26,289 11.128,290 28.394,291 5.361,292 16.34,293 3.911,294 2.253,295 1.604,296 0.886,297 0.669,298 0.669,299 4.072,302 2,306 1,307 633,308 2.55,311 75.979,312 277.3,319 1.541,320 15.912,323 0.75,324 0.83,325 0.83,326 0.5,327 0.5,328 0.83,329 1,330 0.75,331 58.167,332 292,333 4.618,334 3.448,335 6.926,336 4.177,337 3.262,338 4.354,339 0.4,340 11.654,341 2.97,342 4.183,343 3.064,344 6.238,345 3.732,346 2.804,347 3.817,349 9.199,350 2.627,351 4.044,352 2.825,353 5.599,354 3.641,355 2.665,356 3.639,358 7.703,359 2.57,360 3.761,361 2.623,362 5.336,363 3.316,364 2.382,365 3.279,367 6.863,368 2.218,369 3.471,370 2.576,371 5.12,372 3.063,373 2.107,374 2.781,376 6.101,377 1.989,378 3.232,379 2.238,380 4.841,381 2.707,382 1.879,383 2.481,385 5.104,386 1.603,387 3.145,388 1.865,389 4.801,390 2.678,391 1.753,392 2.386,394 5.085,395 1.489,396 2.969,397 1.58,398 4.183,399 2.51,400 1.535,401 2.165,403 3.645,404 1.441,405 2.602,406 1.289,407 3.73,408 2.088,409 1.141,410 1.647,412 2.715,413 1.058,414 2.5,415 1,416 3.46,417 2,418 1,419 1.5,421 2.275,422 1,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.222,431 1,432 2.295,433 0.922,434 3.247,435 1.73,436 0.825,437 1.2,439 2.136,440 0.717,441 1.738,442 0.724,443 3.007,444 1.565,445 0.581,446 0.65,448 0.981,449 0.57,450 1.232,451 0.492,452 2.755,453 0.88,459 1.121,460 0.173,461 2.591,462 0.701,463 -0.136,464 -0.165,466 -0.322,467 -0.11,468 14.462,469 0.516,470 0.606,471 0.022,472 38.75,473 1.384,474 21.5,475 0.768,476 17.25,477 0.616,478 24.068,479 0.86,480 27.838,481 0.605,482 26.573,483 0.949,484 7.43,485 0.265,486 6.222,487 0.222,488 0.133,490 0.304,493 0.623,494 0.977,495 0.569,496 0.733,497 0.675,498 0.758,499 0.618,500 1.278,501 0.638,502 0.958,503 0.621,504 0.896,505 1.027,506 1.057,507 0.889,508 0.88,509 0.914,510 0.869,511 0.999,512 1.134,513 0.826,514 0.91,515 0.949,516 0.879,517 1.147,518 1.127,519 1.202,520 1.13,521 0.906,522 0.838,523 1.183,524 1.09,525 1.061,526 1.048,527 0.822,528 0.901,529 1.563,530 0.876,531 1.3,532 0.972,533 1.43,534 1.041,535 1.058,536 0.917,537 1.127,538 1.039,539 1.104,540 1.075,541 5,542 0.157,543 2.667,544 2.097,545 1.522,546 1.182,547 0.601,548 0.414,549 0.252,550 0.17,551 9328,552 25820,553 2.115,554 39.1,555 5,556 12,559 1,564 1.716,565 2,566 3.292,567 -0.358,573 74.163,574 1.612,575 3.27,576 3.92,577 4.638,578 4.855,579 4.855,580 2.708,581 4.164,582 4.774,583 3.479,584 1315.03,585 8.338,586 17059.4,591 254.084,592 1.333,593 4.748,594 0.161,595 0.01,596 0.062,597 0.048,598 0.035,599 0.027,600 0.015,601 0.011,602 0.007,603 0.007,604 0.384,605 0.5,606 0.88,607 0.689,608 138.925,609 0.051,610 0.055,611 0.024,612 0.046,613 -0.09,614 0.031,615 0.151,616 -0.252,617 0.089,618 -0.093,619 0.066,620 -0.042,621 -0.016,622 -0.026,623 0.048,624 0.076,625 0.006,626 0.065,627 0.229,628 -0.044,629 0.319,630 0.152,631 0.136,632 0.062,633 0.024,634 0.009,635 -0.013,636 0.033,637 0.14,638 0.124,639 -0.058,640 0.059,641 -0.092,642 -0.051,643 0.098,644 -0.022,645 -0.325,646 0.096,647 -0.242,648 -0.088,649 -0.246,650 -0.136,651 -0.121,652 -0.017,653 -0.12,654 -0.083,655 -0.05,656 -0.09,657 1.07,658 2.376,659 0.821,660 25.51,661 1.001,662 1.105,663 5.916,664 35.003,665 0.758,666 3.466,667 3.784,668 4.078,669 4.369,670 4.595,671 4.691,672 4.828,673 4.949,674 5.069,675 5.165,676 6.163,677 0.704,678 427.4,679 3.466,680 5.004,681 5.861,682 6.744,683 7.621,684 8.515,685 9.402,686 10.302,687 11.195,688 12.099,689 6.5,697 1,699 2,707 12,708 1,711 1,712 8,713 1,714 23,725 1,732 2,733 46,735 23,736 3,737 31,739 49,740 22,741 20,742 6,743 12,747 4,748 4,749 2,753 1,760 1,762 20,763 2,782 18,783 2,784 1,785 6,786 3,791 3,792 1,796 1,815 1,816 3,845 4,848 1,850 1,851 2,854 28,862 1,864 1,877 2,885 14,886 8.652,887 6.222,888 2.873,890 3.377,891 1.453,892 1.024,893 5.95,894 10.839,895 3.773,896 4.404,897 5.015,898 5.633,899 6.161,900 6.438,901 6.868,902 7.299,903 7.735,904 8.126,905 0.857,906 44,907 10.285,909 4.324,910 7.585,911 19.848,913 16.231,915 2.085,916 58.389,920 200.109,921 176.669,922 36.45,923 78.297,926 31.278,927 145.391,928 278.406,929 36.45,930 8.825,931 2.535,932 113.715,933 19.369,934 37.397,936 231.386,937 78.297,938 200.109,939 181.841,941 109.575,943 200.109,947 30.801,948 132.601,949 96.737,950 31.278,951 200.109,952 36.45,953 254.966,956 200.109,957 54.128,958 124.317,959 18.011,960 94.96,961 200.109,962 36.45,963 254.966,965 0.576,966 0.343,967 0.191,968 0.104,969 21,970 9,971 0.102,972 5,974 1,975 3.931,976 249.552,978 23,979 120.606,981 1,985 19.372,986 8.6,987 4.245,989 34.674,990 23.852,991 4.784,994 1.512,995 6.837,996 1.876,997 18.011,998 491.525,999 42.5,1011 46.04,1012 50.832,1013 0.292,1014 0.592,1015 0.71,1016 0.84,1017 0.879,1018 0.879,1019 4.989,1020 1.535,1021 5.838,1022 5.085,1023 4.466,1024 5.091,1025 0.278,1026 6.655,1027 4.326,1028 6.204,1029 1.141,1030 7.396,1031 3.645,1032 4.007,1033 4.808,1035 7.576,1036 3.705,1037 7.51,1038 1,1039 9.056,1040 2.715,1041 6.057,1042 7.304,1043 0.05,1044 10.713,1045 5.786,1046 8.855,1047 1,1048 10.78,1049 2.275,1050 6.447,1051 7.86,1053 12.521,1054 6.008,1055 10.232,1056 0.825,1057 12.546,1058 2.222,1059 7.946,1060 9.79,1061 0.008,1062 15.185,1063 7.524,1064 11.633,1065 0.581,1066 14.343,1067 2.136,1068 8.737,1069 10.761,1071 17.367,1072 8.154,1073 13.054,1075 16.163,1076 0.981,1077 10.017,1078 12.436,1079 0.001,1080 19.88,1081 9.42,1082 3.262,1083 -0.136,1084 18.003,1086 11.004,1087 13.628,1089 22.218,1090 10.258,1091 2.804,1092 11.654,1093 19.858,1094 -0.322,1095 12.2,1096 15.182,1098 24.684,1099 11.409,1100 2.665,1101 9.199,1102 21.726,1103 4.354,1104 13.279,1105 16.495,1107 27.087,1108 12.357,1109 2.382,1110 7.703,1111 23.604,1112 3.817,1113 14.447,1114 17.991,1116 29.54,1117 13.456,1118 2.107,1119 6.863,1120 25.49,1121 3.639,1122 15.572,1123 19.369,1125 31.971,1126 14.461,1127 1.879,1128 6.101,1129 27.384,1130 3.279,1131 16.734,1132 20.841,1134 34.421,1135 15.539,1136 1.753,1137 5.104,1138 29.284,1139 2.781,1140 17.882,1141 22.255,1143 36.865,1144 16.575,1145 8925,1146 15079,1147 20.978,1148 34.853,1149 46.47,1150 46.8,1151 47.675,1152 46.345,1153 45.867,1154 62.798,1155 0.8,1156 131.369,1157 42.504,1158 5.393,1159 5.448,1160 6.728,1161 5.33,1162 5.262,1163 7.354,1164 0.8,1165 19.074,1166 4.97,1167 11.915,1168 1.499,1169 1.51,1170 1.538,1171 1.495,1172 1.48,1173 2.026,1174 0.026,1175 4.238,1176 1.371,1177 4.064,1178 4.094,1179 4.319,1180 4.004,1181 5.06,1182 3.981,1183 3.916,1184 3.947,1185 4.001,1186 3.857,1187 4.892,1188 3.851,1189 3.851,1190 3.873,1191 3.845,1192 3.801,1193 4.741,1194 3.792,1195 3.627,1196 3.667,1197 3.766,1198 3.575,1199 4.632,1200 3.516,1201 3.388,1202 3.466,1203 3.582,1204 3.244,1205 4.602,1206 3.222,1207 2.961,1208 3.042,1209 3.219,1210 2.849,1211 4.115,1212 2.815,1213 2.901,1214 2.925,1215 3.065,1216 2.798,1217 4.054,1218 2.792,1219 2.854,1220 2.925,1221 2.888,1222 2.735,1223 3.762,1224 2.719,1225 0.149,1226 0.111,1227 0.223,1228 0.135,1229 0.105,1230 4.618,1231 0.14,1232 3.448,1233 0.013,1234 6.926,1235 0.376,1236 4.177,1237 0.096,1238 3.262,1239 4.354,1240 0.4,1241 11.654,1242 2.97,1243 1.93,1244 1.91,1245 2.051,1246 2.029,1247 1.205,1248 2.032,1249 1.925,1250 1.895,1251 2.018,1252 2.01,1253 1.131,1254 2.022,1255 1.852,1256 1.831,1257 1.921,1258 1.911,1259 1.043,1260 1.931,1261 1.454,1262 1.389,1263 1.734,1264 1.658,1265 0.856,1266 1.687,1267 1.256,1268 1.243,1269 1.326,1270 1.495,1271 0.526,1272 1.457,1273 1.206,1274 1.139,1275 1.224,1276 1.32,1277 0.353,1278 1.365,1279 0.886,1280 0.827,1281 1.181,1282 1.062,1283 0.218,1284 1.107,1285 0.886,1286 0.821,1287 1.181,1288 1.062,1289 0.218,1290 1.107,1291 4.143,1293 5.46,1294 2.398,1295 6.976,1296 4.727,1297 8.583,1298 6.843,1299 10.236,1301 2.145,1302 12.974,1307 1.015,1309 3.395,1318 32.384,1319 74.163,1320 150.435,1321 180.309,1322 213.329,1323 223.329,1324 223.329,1325 38.225,1326 7.462,1327 28.8,1328 57.04,1329 23,1330 12.621,1331 4.585,1332 3.644,1333 42.15,1334 101,1335 130,1336 0.203,1337 209.67,1338 350.33,1339 503.355,1340 15887,1341 4.3,1342 19.51,1343 0.697,1344 0.628,1345 20.863,1346 17.575,1347 13.652,1348 0.44,1349 0.342,1350 9.096,1351 12.445,1352 8.726,1353 7.259,1354 14.638,1355 10.593,1356 12.057,1357 0.28,1358 0.189,1359 13.441,1360 8.148,1361 10.354,1362 0.179,1363 0.105,1364 11.785,1365 6.096,1366 8.853,1367 0.114,1368 0.061,1369 10.795,1370 4.776,1371 6.987,1372 0.071,1373 0.032,1374 8.38,1375 3.093,1376 0.311,1377 93.7,1378 0.218,1379 26.428,1380 0.578,1381 148,1382 379.578,1383 213.241,1384 462.061,1385 627.39,1386 432,1387 175,1388 415.3,1389 230.326,1390 459.013,1391 677.5,1392 434,1393 5.505}
{0 CHEMBL1315955,1 1.798,2 9.2,3 2.302,4 5.301,5 75.412,6 9.544,7 0.524,8 3.512,9 3.583,10 3.333,11 3.163,12 4.859,13 3.139,14 3.948,15 4.046,16 3.655,17 3.491,18 5.304,19 3.444,20 4.075,21 4.194,22 3.724,23 3.48,24 5.473,25 3.462,26 4.14,27 4.278,28 3.6,29 3.4,30 5.656,31 3.381,32 4.029,33 4.172,34 3.442,35 3.299,36 5.421,37 3.259,38 3.854,39 3.988,40 3.341,41 3.248,42 5.398,43 3.178,44 3.861,45 4.055,46 3.25,47 3.186,48 5.27,49 3.076,50 3.673,51 3.828,52 2.911,53 2.9,54 5.03,55 2.825,56 0.085,57 0.395,58 3.524,59 2.59,60 10.544,61 2.448,62 0.315,63 0.604,64 8.845,65 4.513,66 31.22,67 4.241,68 0.225,69 0.709,70 10.939,71 4.955,72 31.66,73 4.689,74 0.418,75 0.734,76 11.442,77 4.971,78 60.044,79 4.283,80 0.418,81 0.65,82 14.968,83 5.226,84 72.267,85 3.961,86 0.338,87 0.538,88 7.209,89 3.873,90 52.394,91 4.008,92 0.23,93 0.56,94 12.551,95 4.991,96 44.07,97 5.653,98 0.29,99 0.429,100 10.238,101 3.814,102 49.538,103 3.185,104 22,105 28,106 0.337,107 0.707,108 0.792,109 0.839,110 0.839,111 0.839,112 3.057,113 0.93,114 -3.05,115 -3.05,116 -2.94,119 46.7,124 1,141 5,142 2,143 1,149 1,150 1,156 3,171 6,173 1,174 2,177 1,179 2,182 7,186 6,191 3,194 3,199 7,202 2,204 2,207 1,213 3,218 1,221 3,225 2,226 2,234 4,238 1,239 4,242 1,247 3,251 4,259 1,264 3,274 482,275 13.516,276 13.516,277 13.516,278 13.516,279 13.516,280 11.896,281 14.109,282 7.918,283 13.903,284 10.187,285 10.187,286 10.187,287 10.187,288 10.187,289 7.54,290 16.01,291 3.544,292 10.663,293 3.109,294 1.129,295 0.679,296 0.425,297 0.425,298 0.425,299 3.711,304 1,305 1,306 1,307 376,308 3.317,311 62.005,312 68.509,319 1.42,320 27.028,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 44,332 184,333 4.377,334 4.057,335 6.469,336 3.98,337 3.029,338 3.989,339 2.035,340 10.013,341 2.895,342 4.186,343 3.689,344 6.024,345 3.777,346 2.782,347 3.782,348 1.674,349 8.567,350 2.73,351 3.865,352 3.555,353 5.291,354 3.371,355 2.374,356 3.166,357 1.058,358 6.733,359 2.361,360 3.412,361 2.654,362 5.042,363 2.99,364 2.022,365 2.613,367 5.677,368 1.937,369 3.133,370 2.485,371 4.151,372 2.398,373 1.443,374 2.013,376 3.632,377 1.369,378 2.753,379 1.87,380 3.708,381 2,382 1.043,383 1.522,385 2.527,386 1,387 2.505,388 1.461,389 3.414,390 1.928,391 1,392 1.5,394 2.275,395 0.892,396 2.5,397 1.388,398 3.388,399 1.786,400 0.891,401 1.195,403 2.023,404 0.777,405 2.305,406 1.03,407 2.801,408 1.425,409 0.475,410 0.924,412 0.727,413 0.448,414 1.467,415 1,416 2.499,417 1.078,418 0.151,419 0.186,421 0.208,422 0.135,423 1.031,424 0.38,425 2.347,426 0.616,427 -0.34,428 -0.446,430 -0.8,431 -0.319,432 1.018,433 0.126,434 2,435 0.42,436 -0.595,437 -0.962,439 -1.185,440 -0.596,441 0.5,442 -0.208,443 1.728,445 -1,446 -1.5,448 -2.698,449 -1,450 0.283,451 -0.708,452 1.523,453 -0.136,454 -1.156,455 -1.542,457 -3,458 -1.143,459 -0.04,460 -1,461 1.408,462 -0.434,463 -1.397,464 -1.74,466 -3.102,467 -1.262,468 9.633,469 0.482,470 0.435,471 0.022,472 28.75,473 1.438,474 16.5,475 0.825,476 12.25,477 0.613,478 11.997,479 0.6,480 20.367,481 0.679,482 19.725,483 0.986,484 5.816,485 0.291,486 3.836,487 0.192,488 0.163,490 0.311,493 0.712,494 0.99,495 0.673,496 0.837,497 0.526,498 0.783,499 0.755,500 0.87,501 0.912,502 0.848,503 0.55,504 0.808,505 0.819,506 1.38,507 0.863,508 1.286,509 0.851,510 1.097,511 1.357,512 1.034,513 1.039,514 0.968,515 1.504,516 1.033,517 1.667,518 0.882,519 1.422,520 1.05,521 1.651,522 0.927,523 0.623,524 0.961,525 0.863,526 0.938,527 0.594,528 1.131,529 0.536,530 0.872,531 1.009,532 1.107,533 0.435,534 1.007,535 1.666,536 0.886,537 1.451,538 1.075,539 1.533,540 1.091,541 4,542 0.065,543 2.667,544 1.125,545 0.947,546 0.74,547 0.314,548 0.184,549 0.129,550 0.106,551 3542,552 14124,553 1.966,554 33.3,556 8,557 1,559 1,564 1.617,565 1.818,566 3.187,567 -0.222,569 1,571 1,573 53.93,574 1.798,575 3.778,576 4.228,577 4.482,578 4.482,579 4.482,580 2.709,581 3.884,582 4.292,583 3.297,584 626.476,585 7.328,586 6455.86,587 1,588 1,590 1,591 147.207,592 1.485,593 4.237,594 0.19,595 0.011,596 0.095,597 0.04,598 0.038,599 0.035,600 0.017,601 0.011,602 0.011,603 0.012,604 0.46,605 0.5,606 1,607 1.229,608 89.161,609 -0.069,610 -0.01,611 0.035,612 0.038,613 -0.028,614 0.027,615 0.112,616 0.1,617 0.006,618 0.14,619 0.053,620 0.086,621 0.006,622 -0.405,623 0.045,624 -0.344,625 -0.027,626 -0.189,627 -0.162,628 -0.032,629 -0.15,630 -0.075,631 -0.217,632 -0.149,633 -0.391,634 0.115,635 -0.265,636 0.029,637 -0.352,638 0.037,639 0.265,640 -0.026,641 -0.045,642 -0.052,643 0.253,644 -0.199,645 0.213,646 0.051,647 0.162,648 -0.01,649 0.314,650 0.131,651 -0.382,652 0.023,653 -0.314,654 -0.003,655 -0.304,656 -0.068,657 2.157,658 5.033,659 0.55,660 14.23,661 1.027,662 1.107,663 1.823,664 3.323,665 0.736,666 3.091,667 3.367,668 3.611,669 3.761,670 3.829,671 3.85,672 3.784,673 3.638,674 3.738,675 3.761,676 5.346,677 0.716,678 286.33,679 3.091,680 4.595,681 5.425,682 6.275,683 7.122,684 7.978,685 8.83,686 9.687,687 10.541,688 11.4,689 6.7,696 1,698 1,707 6,711 1,712 4,714 11,716 1,720 1,723 1,733 30,735 14,736 1,737 21,739 31,740 14,741 10,742 2,743 4,744 2,747 2,748 2,761 1,762 12,763 1,766 2,771 2,775 2,778 1,779 1,782 10,783 5,784 1,785 6,786 1,791 2,796 1,797 3,815 1,816 1,845 2,848 1,850 1,854 20,864 1,865 1,870 1,873 1,874 1,876 1,878 10,881 2,883 1,885 11,886 5.867,887 4.667,888 1.564,890 2.311,891 1.373,892 0.95,893 4.492,894 8.505,895 3.45,896 3.966,897 4.539,898 5.009,899 5.315,900 5.555,901 5.756,902 5.515,903 5.998,904 6.338,905 1,906 28,907 7.333,909 3.054,910 8.217,911 13.299,913 10.238,915 2.717,916 54.333,920 105.94,921 136.175,922 49.07,924 61.29,926 31.278,927 104.897,928 167.23,929 49.07,930 10.883,931 18.011,932 55.03,933 78.788,934 51.187,935 13.13,936 125.447,938 105.94,939 153.968,940 61.29,941 31.278,943 105.94,944 61.29,947 49.07,948 104.897,950 31.278,951 105.94,952 110.36,953 136.175,956 105.94,957 53.66,958 65.913,959 34.612,960 92.349,961 105.94,962 110.36,963 136.175,965 0.568,966 0.347,967 0.172,968 0.083,969 12,970 6,971 0.129,972 4,974 1,975 3.201,976 139.958,978 11,979 82.439,981 1,985 14.232,986 6.313,987 3.242,989 110.36,990 9.558,994 1.193,995 1.643,997 18.011,998 352.475,999 30.5,1004 23.531,1008 -0.84,1011 30.796,1012 33.206,1013 0.366,1014 0.77,1015 0.862,1016 0.913,1017 0.913,1018 0.913,1019 4.661,1020 0.891,1021 5.398,1022 2.275,1023 4.043,1024 4.649,1025 2.841,1026 6.176,1027 3.966,1028 5.872,1029 0.475,1030 6.948,1031 2.023,1032 3.611,1033 4.369,1035 7.066,1036 3.551,1037 7.171,1038 0.151,1039 8.598,1040 0.727,1041 5.609,1042 6.8,1043 3.98,1044 10.106,1045 5.476,1046 8.506,1047 -0.34,1048 10.306,1049 0.208,1050 6.019,1051 7.382,1053 11.81,1054 5.874,1055 9.871,1056 -0.595,1057 12.051,1058 -0.8,1059 7.46,1060 9.223,1061 5.246,1062 14.361,1063 7.267,1064 11.255,1065 -1,1066 13.82,1067 -1.185,1068 8.234,1069 10.19,1071 16.39,1072 8.009,1073 12.655,1074 -1.156,1075 15.607,1076 -2.698,1077 9.46,1078 11.785,1079 6.573,1080 18.776,1081 9.196,1082 3.029,1083 -1.397,1084 17.407,1085 -3,1086 10.401,1087 12.941,1089 20.946,1090 10.094,1091 2.782,1092 10.013,1093 19.216,1094 -3.102,1095 11.541,1096 14.422,1097 7.931,1098 23.27,1099 11.196,1100 2.374,1101 8.567,1102 21.033,1103 3.989,1104 12.559,1105 15.675,1107 25.505,1108 12.168,1109 2.022,1110 6.733,1111 22.857,1112 3.782,1113 13.666,1114 17.1,1115 9.31,1116 27.808,1117 13.235,1118 1.443,1119 5.677,1120 24.685,1121 3.166,1122 14.721,1123 18.405,1125 30.073,1126 14.243,1127 1.043,1128 3.632,1129 26.518,1130 2.613,1131 15.816,1132 19.802,1133 10.701,1134 32.369,1135 15.296,1136 1,1137 2.527,1138 28.355,1139 2.013,1140 16.89,1141 21.135,1143 34.649,1144 16.323,1145 3655,1146 7389,1147 13.523,1148 22.068,1149 31.957,1150 34.884,1151 32.576,1152 30.321,1153 30.421,1154 41.782,1155 9.535,1156 84.762,1157 29.09,1158 5.221,1159 6.057,1160 6.02,1161 5.077,1162 5.029,1163 6.989,1164 4.069,1165 16.737,1166 4.895,1167 10.975,1168 1.522,1169 1.661,1170 1.551,1171 1.444,1172 1.449,1173 1.99,1174 0.454,1175 4.036,1176 1.385,1177 3.972,1178 3.99,1179 4.239,1180 3.939,1181 7.434,1182 3.905,1183 3.86,1184 3.865,1185 3.886,1186 3.851,1187 7.428,1188 3.811,1189 3.4,1190 3.422,1191 3.379,1192 3.188,1193 6.82,1194 3.219,1195 3.322,1196 3.35,1197 3.296,1198 3.052,1199 4.692,1200 3.09,1201 2.993,1202 3.05,1203 3.002,1204 2.751,1205 4.627,1206 2.783,1207 2.899,1208 2.941,1209 2.7,1210 2.735,1211 4.453,1212 2.715,1213 2.854,1214 2.925,1215 2.687,1216 2.654,1217 3.746,1218 2.654,1219 2.466,1220 2.535,1221 2.645,1222 2.339,1223 3.674,1224 2.287,1225 0.208,1226 0.193,1227 0.308,1228 0.19,1229 0.144,1230 4.377,1231 0.19,1232 4.057,1233 0.097,1234 6.469,1235 0.477,1236 3.98,1237 0.138,1238 3.029,1239 3.989,1240 2.035,1241 10.013,1242 2.895,1243 1.92,1244 1.899,1245 2.01,1246 2.004,1247 1.085,1248 2.006,1249 1.577,1250 1.566,1251 1.673,1252 1.757,1253 0.759,1254 1.728,1255 1.397,1256 1.397,1257 1.584,1258 1.602,1259 0.61,1260 1.595,1261 1.23,1262 1.205,1263 1.314,1264 1.387,1265 0.537,1266 1.416,1267 1.128,1268 1.068,1269 1.199,1270 1.298,1271 0.226,1272 1.314,1273 0.886,1274 0.821,1275 1.181,1276 1.116,1277 0.218,1278 1.107,1279 0.811,1280 0.766,1281 0.941,1282 1.062,1284 1.07,1285 0.473,1286 0.472,1287 0.635,1288 0.764,1290 0.735,1291 3.761,1293 5.043,1294 2.398,1295 6.521,1296 4.595,1297 8.079,1298 6.581,1299 9.68,1301 1.286,1309 2.647,1310 4.637,1316 8.699,1317 1.979,1318 21.482,1319 53.93,1320 113.332,1321 126.842,1322 134.452,1323 134.452,1324 134.452,1325 41.621,1326 6.194,1327 79.19,1328 107.43,1329 11,1330 11.952,1331 3.907,1332 3.392,1333 36.486,1334 64,1335 68,1336 0.287,1337 140.638,1338 247.36,1339 334.917,1340 3310,1342 14.535,1343 0.727,1344 0.568,1345 14.889,1346 11.361,1347 9.651,1348 0.46,1349 0.31,1350 5.611,1351 8.792,1352 5.378,1353 4.499,1354 10.106,1355 6.507,1356 8.142,1357 0.291,1358 0.168,1359 8.699,1360 4.714,1361 7.041,1362 0.196,1363 0.096,1364 7.779,1365 3.455,1366 5.246,1367 0.125,1368 0.055,1369 6.004,1370 2.315,1371 3.612,1372 0.08,1373 0.028,1374 4.074,1375 1.242,1376 0.447,1377 65.481,1378 0.272,1379 20,1380 0.794,1381 98,1382 376.045,1383 130.447,1384 380.998,1385 497.18,1386 352,1387 113,1388 326.88,1389 143.907,1390 347.944,1391 500.33,1392 323,1393 4.224}
{0 CHEMBL1316002,1 1.355,2 10.8,3 4.522,4 20.452,5 102.358,6 7.912,7 0.643,8 3.814,9 3.92,10 3.446,11 3.489,12 5.004,13 3.461,14 4.277,15 4.415,16 3.807,17 3.873,18 5.414,19 3.832,20 4.521,21 4.68,22 3.915,23 4.016,24 5.693,25 3.959,26 4.573,27 4.758,28 3.785,29 3.955,30 5.747,31 3.872,32 4.485,33 4.688,34 3.593,35 3.843,36 5.595,37 3.739,38 4.333,39 4.539,40 3.381,41 3.7,42 5.431,43 3.577,44 4.165,45 4.397,46 3.237,47 3.524,48 5.155,49 3.399,50 3.967,51 4.181,52 3.179,53 3.363,54 4.979,55 3.272,56 0.03,57 0.51,58 6.929,59 3.297,60 8.002,61 4.142,62 0.058,63 0.824,64 12.127,65 5.559,66 9.417,67 7.118,68 0.082,69 1.059,70 16.457,71 7.334,72 20.084,73 9.394,74 0.187,75 1.115,76 18.93,77 8.055,78 34.054,79 10.26,80 0.147,81 0.991,82 18.349,83 7.957,84 35.81,85 10.227,86 0.117,87 0.843,88 15.653,89 6.985,90 36.845,91 9.097,92 0.057,93 0.735,94 13.565,95 6.06,96 20.965,97 8.392,98 0.059,99 0.62,100 10.673,101 4.559,102 11.938,103 6.167,104 10,105 40,106 0.233,107 0.529,108 0.644,109 0.804,110 0.861,111 0.861,112 3.267,113 0.86,114 -4.95,115 -4.86,116 -4.55,119 53.7,124 1,140 2,141 11,142 4,143 3,155 1,161 1,162 1,163 1,171 15,174 6,179 2,182 19,184 2,186 6,191 2,194 16,197 2,198 1,199 7,204 1,207 14,210 1,213 3,218 1,221 16,223 1,226 2,231 1,234 15,236 1,239 3,244 1,247 10,249 1,251 3,256 2,259 7,261 2,264 2,269 1,271 7,273 1,274 839,275 16.999,276 16.999,277 16.999,278 16.999,279 16.999,280 14.585,281 18.521,282 9.894,283 17.092,284 13.789,285 13.789,286 13.789,287 13.789,288 13.789,289 10.039,290 23.993,291 4.701,292 13.933,293 4.003,294 2.283,295 1.618,296 0.689,297 0.36,298 0.36,299 3.967,305 1,306 1,307 596,308 2.55,312 231.184,316 174.514,319 1.6,320 17.456,322 1,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 52,332 270,333 4.629,334 3.708,335 6.983,336 4.304,337 3.319,338 4.261,339 0.8,340 11.792,341 3.275,342 4.236,343 3.102,344 6.099,345 3.672,346 2.675,347 3.794,349 8.747,350 2.666,351 4.012,352 2.996,353 5.898,354 3.579,355 2.586,356 3.635,358 7.812,359 2.568,360 3.787,361 2.777,362 5.441,363 3.359,364 2.371,365 3.148,367 7.218,368 2.333,369 3.609,370 2.446,371 5.238,372 3.211,373 2.227,374 2.82,376 6.576,377 2.184,378 3.393,379 2.314,380 4.877,381 3.019,382 2.034,383 2.665,385 5.656,386 2.001,387 2.999,388 1.757,389 4.256,390 2.471,391 1.47,392 2.131,394 3.454,395 1.469,396 2.869,397 1.346,398 3.92,399 2.251,400 1.258,401 1.814,403 3.187,404 1.248,405 2.711,406 1.278,407 3.499,408 2,409 1,410 1.5,412 2.275,413 1,414 2.5,415 1,416 3.456,417 1.934,418 0.914,419 1.482,421 2.162,422 0.929,423 2.41,424 0.913,425 3.414,426 1.722,427 0.734,428 1.184,430 1.78,431 0.724,432 1.976,433 0.847,434 3.227,435 1.56,436 0.549,437 0.759,439 1.367,440 0.551,441 1.23,442 0.378,443 2.689,444 0.904,445 -0.084,446 -0.104,448 -0.193,449 -0.082,450 1.06,451 -0.181,452 2.481,453 0.585,454 -0.397,455 -0.529,457 -0.98,458 -0.389,459 0.844,460 -0.311,461 2.148,462 0.399,463 -0.619,464 -0.842,466 -1.432,467 -0.623,468 12.133,469 0.485,470 0.627,471 0.025,472 37.75,473 1.51,474 22.5,475 0.9,476 15.25,477 0.61,478 15.696,479 0.628,480 23.867,481 0.582,482 27.182,483 1.087,484 7.614,485 0.305,486 4.517,487 0.181,488 0.102,490 0.363,493 0.76,494 0.927,495 0.738,496 0.79,497 0.715,498 0.758,499 0.792,500 0.949,501 0.768,502 0.834,503 0.579,504 0.798,505 0.967,506 1.091,507 0.928,508 1.022,509 0.861,510 0.975,511 1.23,512 1.042,513 1.098,514 1.082,515 1.296,516 1.078,517 1.275,518 0.915,519 1.062,520 1.001,521 1.352,522 1.019,523 1.087,524 0.981,525 1.128,526 1.079,527 1.251,528 1.116,529 0.411,530 0.984,531 0.872,532 1.014,533 0.44,534 0.995,535 0.674,536 1.002,537 0.864,538 0.933,539 0.503,540 0.914,541 4.5,542 0.111,543 3.111,544 1.813,545 2.004,546 0.736,547 0.341,548 0.295,549 0.246,550 0.172,551 7510,552 19036,553 2.13,554 39,556 14,559 2,564 1.677,565 2,566 3.367,567 0.154,573 55.552,574 1.355,575 3.074,576 3.74,577 4.668,578 4.998,579 4.998,580 2.874,581 3.993,582 4.613,583 3.512,584 1053.66,585 7.963,586 12598.1,588 1,591 219.66,592 1.388,593 4.579,594 0.161,595 0.007,596 0.078,597 0.042,598 0.056,599 0.025,600 0.014,601 0.014,602 0.012,603 0.009,604 0.417,605 0.67,606 1,607 0.553,608 120.499,609 -0.062,610 0.065,611 0.029,612 0.071,613 -0.125,614 0.063,615 -0.029,616 0.041,617 0.063,618 0.062,619 0.016,620 0.072,621 -0.028,622 -0.105,623 -0.04,624 -0.103,625 0.005,626 -0.075,627 0.004,628 -0.063,629 -0.135,630 -0.127,631 -0.06,632 -0.14,633 -0.114,634 0.009,635 -0.063,636 0.003,637 -0.075,638 -0.022,639 -0.12,640 -0.08,641 -0.142,642 -0.067,643 -0.128,644 -0.105,645 0.104,646 -0.06,647 0.127,648 0.012,649 0.082,650 0.06,651 0.034,652 -0.01,653 0.111,654 0.046,655 0.078,656 0.08,657 1.609,658 5.702,659 0.8,660 22.147,661 0.993,662 1.1,663 3.722,664 13.856,665 0.727,666 3.367,667 3.714,668 4.025,669 4.304,670 4.605,671 4.654,672 4.762,673 4.905,674 5.056,675 5.03,676 6.158,677 0.694,678 324.4,679 3.367,680 4.92,681 5.79,682 6.681,683 7.57,684 8.467,685 9.365,686 10.267,687 11.17,688 12.077,689 4.9,693 1,697 1,707 11,712 7,714 18,719 1,724 1,727 1,733 41,735 20,736 3,737 28,739 44,740 22,741 18,742 7,743 11,744 1,747 4,748 7,761 2,762 19,763 1,766 1,771 1,775 1,779 1,782 16,783 3,784 2,785 3,791 2,796 0.5,797 1,816 4,820 2,823 2,845 2,850 1,854 25,855 1,868 1,870 1,876 2,878 2.4,881 1,885 12.5,886 7.867,887 5.417,888 2.363,890 4.44,891 1.581,892 1.048,893 3.704,894 12.076,895 3.714,896 4.337,897 4.992,898 5.578,899 6.185,900 6.504,901 6.967,902 7.409,903 7.917,904 8.285,905 1,906 43,907 9.198,909 3.956,910 7.713,911 17.532,913 14.533,915 2.213,916 55.333,919 1,920 164.795,921 172.842,922 36.022,924 25.145,927 172.842,928 189.94,929 36.022,930 8.396,932 137.136,933 30.278,934 24.137,935 34.061,936 164.795,938 164.795,939 208.864,940 25.145,943 164.795,944 25.145,947 3.124,948 171.678,949 34.061,951 164.795,952 61.166,953 172.842,956 164.795,957 26.146,958 115.759,959 34.061,960 58.042,961 164.795,962 61.166,963 172.842,965 0.588,966 0.353,967 0.191,968 0.111,969 21,970 9,973 2,974 1.2,975 3.726,976 213.649,977 0.2,978 20,979 112.096,985 15.352,986 6.032,987 2.746,989 61.166,990 20.836,995 5.739,997 32.897,998 398.804,999 40,1004 12.702,1008 0.057,1011 40.716,1012 45.112,1013 0.253,1014 0.574,1015 0.698,1016 0.871,1017 0.933,1018 0.933,1019 4.959,1020 1.258,1021 5.784,1022 3.454,1023 4.394,1024 5.024,1025 0.673,1026 6.624,1027 4.375,1028 6.198,1029 1,1030 7.362,1031 3.187,1032 4.007,1033 4.732,1034 0.325,1035 7.585,1036 3.966,1037 7.52,1038 0.914,1039 9.042,1040 2.275,1041 6.014,1042 7.245,1043 0.379,1044 10.728,1045 5.972,1046 8.877,1047 0.734,1048 10.784,1049 2.162,1050 6.447,1051 7.759,1052 0.268,1053 12.532,1054 6.384,1055 10.263,1056 0.549,1057 12.565,1058 1.78,1059 7.928,1060 9.717,1061 0.239,1062 15.225,1063 7.863,1064 11.671,1065 -0.084,1066 14.375,1067 1.367,1068 8.751,1069 10.632,1070 0.188,1071 17.394,1072 8.665,1073 13.096,1074 -0.397,1075 16.207,1076 -0.193,1077 10.031,1078 12.33,1079 0.156,1080 19.942,1081 9.939,1082 3.319,1083 -0.619,1084 18.056,1085 -0.98,1086 11.046,1087 13.468,1088 0.125,1089 22.275,1090 10.936,1091 2.675,1092 11.792,1093 19.919,1094 -1.432,1095 12.254,1096 15.032,1097 0.102,1098 24.772,1099 12.134,1100 2.586,1101 8.747,1102 21.794,1103 4.261,1104 13.362,1105 16.298,1106 0.082,1107 27.179,1108 13.226,1109 2.371,1110 7.812,1111 23.679,1112 3.794,1113 14.551,1114 17.794,1115 0.066,1116 29.657,1117 14.402,1118 2.227,1119 7.218,1120 25.572,1121 3.635,1122 15.704,1123 19.132,1124 0.054,1125 32.096,1126 15.539,1127 2.034,1128 6.576,1129 27.472,1130 3.148,1131 16.889,1132 20.594,1133 0.043,1134 34.568,1135 16.712,1136 1.47,1137 5.656,1138 29.378,1139 2.82,1140 18.064,1141 21.975,1142 0.035,1143 37.022,1144 17.872,1145 7065,1146 11355,1147 18.898,1148 29.796,1149 43.977,1150 43.873,1151 44.045,1152 42.334,1153 42.277,1154 58.386,1155 1.6,1156 124.048,1157 41.895,1158 5.5,1159 5.708,1160 6.662,1161 5.346,1162 5.319,1163 7.261,1164 1.2,1165 19.792,1166 5.275,1167 10.921,1168 1.571,1169 1.567,1170 1.573,1171 1.512,1172 1.51,1173 2.085,1174 0.057,1175 4.43,1176 1.496,1177 4.075,1178 4.096,1179 4.041,1180 4.009,1181 7.427,1182 4.014,1183 3.913,1184 3.941,1185 3.86,1186 3.858,1187 5.124,1188 3.856,1189 3.766,1190 3.793,1191 3.705,1192 3.72,1193 4.888,1194 3.713,1195 3.344,1196 3.404,1197 3.29,1198 3.253,1199 4.726,1200 3.258,1201 3.27,1202 3.317,1203 3.144,1204 3.061,1205 4.525,1206 3.066,1207 3.106,1208 3.152,1209 3.026,1210 2.959,1211 4.218,1212 2.971,1213 2.854,1214 2.925,1215 2.689,1216 2.735,1217 4.018,1218 2.715,1219 2.829,1220 2.904,1221 2.687,1222 2.683,1223 3.674,1224 2.672,1225 0.165,1226 0.132,1227 0.249,1228 0.154,1229 0.119,1230 4.629,1231 0.152,1232 3.708,1233 0.029,1234 6.983,1235 0.421,1236 4.304,1237 0.117,1238 3.319,1239 4.261,1240 0.8,1241 11.792,1242 3.275,1243 2.028,1244 2.01,1245 2.096,1246 2.112,1247 1.234,1248 2.108,1249 1.909,1250 1.886,1251 2.008,1252 1.988,1253 1.063,1254 1.997,1255 1.776,1256 1.751,1257 1.89,1258 1.846,1259 0.982,1260 1.862,1261 1.322,1262 1.288,1263 1.604,1264 1.537,1265 0.661,1266 1.563,1267 1.234,1268 1.164,1269 1.37,1270 1.407,1271 0.345,1272 1.397,1273 1.049,1274 1.018,1275 1.229,1276 1.276,1277 0.218,1278 1.262,1279 0.886,1280 0.821,1281 1.181,1282 1.062,1283 0.205,1284 1.107,1285 0.828,1286 0.761,1287 1.122,1288 1.031,1289 0.19,1290 1.063,1291 4.043,1293 5.38,1295 6.93,1297 8.582,1299 10.292,1301 1.973,1305 5.692,1313 2.042,1317 6.292,1318 28.445,1319 55.552,1320 126.042,1321 153.341,1322 191.395,1323 204.905,1324 204.905,1325 34.994,1326 7.637,1327 48.02,1328 48.02,1329 24,1330 12.595,1331 4.392,1332 3.7,1333 36.092,1334 93,1335 103,1336 0.194,1337 174.684,1338 306.13,1339 417.99,1340 21925,1342 17.389,1343 0.696,1344 0.551,1345 17.389,1346 13.784,1347 12.131,1348 0.433,1349 0.287,1350 7.97,1351 11.93,1352 7.728,1353 6.445,1354 12.131,1355 8.024,1356 11.04,1357 0.276,1358 0.15,1359 11.04,1360 6.009,1361 9.759,1362 0.177,1363 0.08,1364 9.759,1365 4.376,1366 8.057,1367 0.11,1368 0.041,1369 8.057,1370 3.023,1371 7.058,1372 0.071,1373 0.022,1374 7.058,1375 2.171,1376 0.304,1377 74.274,1378 0.23,1379 24.277,1380 0.53,1381 136,1382 346.693,1383 141.545,1384 352.811,1385 494.81,1386 330,1387 163,1388 374.65,1389 169.322,1390 389.525,1391 568.76,1392 367,1393 5.279}
{0 CHEMBL131770,1 1.37,2 12.261,3 3.39,4 11.493,5 92.49,6 7.906,7 0.5,8 3.745,9 3.827,10 3.324,11 3.342,12 5.058,13 3.327,14 4.126,15 4.23,16 3.614,17 3.655,18 5.464,19 3.621,20 4.416,21 4.575,22 3.578,23 3.722,24 5.699,25 3.655,26 4.398,27 4.608,28 3.387,29 3.583,30 5.663,31 3.482,32 4.232,33 4.451,34 3.337,35 3.435,36 5.461,37 3.365,38 4.121,39 4.275,40 3.315,41 3.355,42 5.502,43 3.321,44 4.105,45 4.288,46 3.265,47 3.306,48 5.421,49 3.264,50 4.03,51 4.197,52 3.251,53 3.224,54 5.593,55 3.187,56 0.087,57 0.442,58 6.967,59 3.679,60 17.468,61 4.06,62 0.046,63 0.661,64 10.217,65 5.575,66 6.469,67 6.544,68 0.252,69 0.868,70 16.707,71 7.306,72 47.104,73 8.557,74 0.348,75 0.86,76 18.247,77 7.354,78 67.23,79 9.315,80 0.194,81 0.73,82 15.611,83 6.267,84 37.069,85 8.059,86 0.241,87 0.627,88 12.946,89 5.195,90 45.917,91 5.774,92 0.22,93 0.625,94 13.312,95 5.24,96 44.166,97 6.179,98 0.363,99 0.571,100 12.21,101 4.772,102 67.127,103 5.677,104 17,105 31,106 0.243,107 0.495,108 0.644,109 0.746,110 0.764,111 0.782,112 3.186,113 0.865,114 -3.55,115 -3.52,116 -3.36,119 48.7,134 5,137 1,141 8,142 2,143 2,154 1,171 12,174 2,179 6,182 16,186 1,191 5,194 14,199 2,202 1,204 4,207 7,213 3,218 5,221 6,226 3,231 5,234 7,239 2,244 2,247 6,251 2,254 1,255 1,256 4,259 9,271 8,274 794,275 15.154,276 15.154,277 15.154,278 15.154,279 15.154,280 12.976,281 7.761,282 9.179,283 15.239,284 11.832,285 11.832,286 11.832,287 11.832,288 11.832,289 8.564,290 4.601,291 4.434,292 12.002,293 3.916,294 2.493,295 1.65,296 1.077,297 0.974,298 0.872,299 3.849,304 1,305 1,306 1,307 584,308 3.606,312 183.385,319 1.989,320 29.506,321 1,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 50,332 282,333 4.088,334 3.396,335 5.45,336 3.657,337 2.661,338 3.671,340 7.256,341 2.653,342 4.043,343 2.732,344 5.42,345 3.612,346 2.624,347 3.655,349 7.176,350 2.594,351 3.926,352 2.718,353 5.271,354 3.49,355 2.495,356 3.336,358 6.752,359 2.482,360 3.568,361 2.524,362 4.906,363 3.134,364 2.162,365 2.876,367 5.745,368 2.089,369 3.439,370 2.256,371 4.878,372 3.036,373 2.068,374 2.737,376 5.662,377 1.99,378 3.259,379 2.213,380 4.593,381 2.861,382 1.872,383 2.423,385 4.915,386 1.831,387 2.5,388 1,389 3.414,390 2,391 1,392 1.5,394 2.275,395 1,396 2.5,397 1,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 2.468,406 0.968,407 3.242,408 1.746,409 0.753,410 1.179,412 1.744,413 0.746,414 2.293,415 0.808,416 2.961,417 1.568,418 0.576,419 0.881,421 1.278,422 0.566,423 1.191,424 0.312,425 2.433,426 0.825,427 -0.133,428 -0.163,430 -0.298,431 -0.126,432 1.165,433 0.111,434 2,435 0.741,436 -0.217,437 -0.28,439 -0.458,440 -0.203,441 0.884,442 0.065,443 2,444 0.448,445 -0.546,446 -0.728,448 -1.27,449 -0.528,450 0.5,451 -0.608,452 2,454 -1,455 -1.08,457 -2.504,458 -0.914,459 0.5,460 -0.749,461 1.726,463 -1,464 -1.258,466 -2.551,467 -0.983,468 10.833,469 0.471,470 0.561,471 0.024,472 32,473 1.391,474 19,475 0.826,476 13,477 0.565,478 13.247,479 0.576,480 23.967,481 0.615,482 23.678,483 1.029,484 6.915,485 0.301,486 4.109,487 0.179,488 0.123,490 0.277,493 0.911,494 0.829,495 0.817,496 0.822,497 0.924,498 0.804,499 0.631,500 1.203,501 0.857,502 1.195,503 0.59,504 1.099,505 1.078,506 1.121,507 1.154,508 1.128,509 1.075,510 1.152,511 0.821,512 1.023,513 1.026,514 1.037,515 0.856,516 1.068,517 0.807,518 0.918,519 0.771,520 0.906,521 0.84,522 0.845,523 1.452,524 1.043,525 1.148,526 1.029,527 1.515,528 1.024,529 1.244,530 0.976,531 0.98,532 0.958,533 1.304,534 0.92,535 0.979,536 0.994,537 0.944,538 0.988,539 1.007,540 0.964,541 5.5,542 0.074,543 2.222,544 0.75,545 1.084,546 0.458,547 0.366,548 0.361,549 0.09,550 0.162,551 6404,552 20758,553 1.971,554 41,556 13,559 3,564 1.649,565 1.84,566 3.579,567 0.946,568 1,569 1,571 1,573 53.42,574 1.37,575 2.792,576 3.635,577 4.208,578 4.311,579 4.414,580 3.045,581 3.045,582 4.496,583 3.737,584 945.415,585 7.696,586 11729.1,587 1,588 1,589 1,590 1,591 206.131,592 1.41,593 4.449,594 0.229,595 0.005,596 0.072,597 0.027,598 0.049,599 0.021,600 0.017,601 0.018,602 0.005,603 0.012,604 0.455,605 0.33,606 1,607 0.636,608 111.96,609 -0.135,610 0.173,611 -0.048,612 0.164,613 -0.19,614 0.094,615 -0.005,616 -0.213,617 -0.081,618 -0.21,619 0.041,620 -0.171,621 -0.145,622 -0.145,623 -0.23,624 -0.157,625 -0.144,626 -0.201,627 0.053,628 -0.054,629 -0.027,630 -0.058,631 0.032,632 -0.06,633 0.018,634 0.052,635 0.238,636 0.08,637 0.058,638 0.182,639 -0.215,640 -0.069,641 -0.164,642 -0.072,643 -0.219,644 -0.1,645 -0.124,646 -0.005,647 0.031,648 0.008,649 -0.136,650 0.045,651 0.236,652 -0.022,653 0.069,654 -0.027,655 0.257,656 -0.018,657 2.022,658 4.71,659 0.522,660 21.89,661 1.01,662 1.107,663 2.318,664 5.372,665 0.69,666 3.219,667 3.466,668 3.555,669 3.664,670 3.85,671 3.638,672 3.555,673 3.638,674 3.497,675 3.497,676 7.09,677 0.669,678 308.35,679 3.219,680 4.71,681 5.485,682 6.301,683 7.091,684 7.904,685 8.7,686 9.51,687 10.309,688 11.118,707 8,712 4,714 12,729 2,733 39,735 16,736 2,737 24,739 40,740 19,741 12,742 4,743 8,744 7,747 2,748 2,762 19,766 4,771 1,773 5,775 2,778 1,779 1,782 16,783 4,784 3,785 4,796 1,797 4,816 2,828 1,835 6,843 1,845 2,854 23,861 3,878 10.3,880 3,881 1,885 12.5,886 6.6,887 5.167,888 2.025,890 3.674,891 1.583,892 0.894,893 5.779,894 9.974,895 3.555,896 4.094,897 4.58,898 5.016,899 5.542,900 5.569,901 5.775,902 6.14,903 6.351,904 6.568,905 1,906 28,907 8.436,909 3.489,910 8.152,911 15.443,913 11.91,915 2.652,916 61,920 153.024,921 134.696,924 153.195,927 134.696,928 306.219,932 123.191,933 158.328,934 6.371,936 153.024,938 153.024,939 134.696,940 153.195,943 153.024,944 153.195,948 87.315,949 47.381,951 153.024,952 153.195,953 134.696,956 153.024,957 11.505,958 123.191,960 153.195,961 153.024,962 153.195,963 134.696,965 0.571,966 0.301,967 0.142,968 0.084,969 12,970 6,971 0.125,972 5,974 1,975 3.683,976 157.597,978 12,979 96.042,985 16.589,986 8.012,987 5.848,989 153.195,990 12.839,995 1.875,997 128.05,998 440.915,999 34,1004 11.71,1006 7.057,1008 -0.524,1011 39.378,1012 43.159,1013 0.259,1014 0.528,1015 0.688,1016 0.796,1017 0.816,1018 0.835,1019 4.736,1020 1,1021 5.434,1022 2.275,1023 4.143,1024 4.779,1026 6.084,1027 4.117,1028 5.936,1029 0.753,1030 6.901,1031 2.275,1032 3.611,1033 4.369,1035 6.629,1036 3.544,1037 7.206,1038 0.576,1039 8.45,1040 1.744,1041 5.602,1042 6.885,1044 9.559,1045 5.559,1046 8.505,1047 -0.133,1048 10.04,1049 1.278,1050 5.771,1051 7.192,1053 10.802,1054 5.691,1055 9.824,1056 -0.217,1057 11.655,1058 -0.298,1059 7.258,1060 9.187,1062 13.229,1063 7.2,1064 11.159,1065 -0.546,1066 13.285,1067 -0.458,1068 7.763,1069 9.855,1071 14.791,1072 7.678,1073 12.505,1074 -1,1075 14.924,1076 -1.27,1077 9.013,1078 11.588,1080 17,1081 8.944,1082 2.661,1083 -1,1084 16.571,1085 -2.504,1086 9.706,1087 12.471,1089 18.733,1090 9.616,1091 2.624,1092 7.256,1093 18.223,1094 -2.551,1095 10.829,1096 14.049,1098 20.831,1099 10.75,1100 2.495,1101 7.176,1102 19.879,1103 3.671,1104 11.632,1105 15.07,1107 22.663,1108 11.538,1109 2.162,1110 6.752,1111 21.539,1112 3.655,1113 12.685,1114 16.55,1116 24.701,1117 12.596,1118 2.068,1119 5.745,1120 23.202,1121 3.336,1122 13.554,1123 17.663,1125 26.591,1126 13.454,1127 1.872,1128 5.662,1129 24.867,1130 2.876,1131 14.567,1132 19.079,1134 28.596,1135 14.469,1136 1,1137 4.915,1138 26.534,1139 2.737,1140 15.475,1141 20.252,1143 30.52,1144 15.369,1145 6372,1146 11562,1147 15.603,1148 26.909,1149 35.836,1150 35.288,1151 35.433,1152 34.542,1153 34.418,1154 47.516,1156 90.154,1157 33.903,1158 4.735,1159 5.396,1160 4.865,1161 4.657,1162 4.661,1163 6.671,1165 12.728,1166 4.653,1167 12.375,1168 1.493,1169 1.47,1170 1.476,1171 1.439,1172 1.434,1173 1.98,1175 3.756,1176 1.413,1177 3.959,1178 3.98,1179 3.901,1180 3.895,1181 7.429,1182 3.893,1183 3.907,1184 3.929,1185 3.848,1186 3.849,1187 6.476,1188 3.845,1189 3.696,1190 3.708,1191 3.641,1192 3.583,1193 6.468,1194 3.593,1195 3.407,1196 3.434,1197 3.326,1198 3.294,1199 6.467,1200 3.295,1201 3.102,1202 3.128,1203 3.015,1204 2.958,1205 4.685,1206 2.965,1207 2.869,1208 2.925,1209 2.79,1210 2.735,1211 4.658,1212 2.715,1213 2.854,1214 2.925,1215 2.687,1216 2.735,1217 4.189,1218 2.715,1219 2.854,1220 2.878,1221 2.687,1222 2.638,1223 4.056,1224 2.665,1225 0.17,1226 0.142,1227 0.227,1228 0.152,1229 0.111,1230 4.088,1231 0.153,1232 3.396,1234 5.45,1235 0.302,1236 3.657,1237 0.111,1238 2.661,1239 3.671,1241 7.256,1242 2.653,1243 1.924,1244 1.904,1245 2.028,1246 2.008,1247 1.104,1248 2.015,1249 1.906,1250 1.885,1251 2.013,1252 1.988,1253 1.091,1254 1.997,1255 1.652,1256 1.636,1257 1.766,1258 1.792,1259 0.788,1260 1.781,1261 1.384,1262 1.355,1263 1.552,1264 1.534,1265 0.577,1266 1.537,1267 1.057,1268 1.028,1269 1.249,1270 1.255,1271 0.28,1272 1.248,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 0.886,1280 0.821,1281 1.181,1282 1.062,1283 0.218,1284 1.107,1285 0.751,1286 0.732,1287 0.966,1288 1.062,1290 1.019,1291 3.892,1293 5.153,1295 6.581,1297 8.077,1299 9.608,1306 28.043,1318 26.074,1319 53.42,1320 108.906,1321 141.766,1322 164.131,1323 168.131,1324 172.131,1325 53.101,1326 6.301,1327 77.76,1328 77.76,1329 12,1330 11.71,1331 4.087,1332 3.459,1333 45.744,1334 98,1335 88,1336 0.221,1337 164.949,1338 299.5,1339 394.236,1340 4374,1342 16.656,1343 0.724,1344 0.533,1345 16.656,1346 12.255,1347 11.025,1348 0.459,1349 0.288,1350 6.857,1351 10.74,1352 6.702,1353 5.607,1354 11.025,1355 6.916,1356 9.853,1357 0.318,1358 0.156,1359 9.853,1360 4.821,1361 7.211,1362 0.212,1363 0.087,1364 7.211,1365 2.963,1366 5.199,1367 0.137,1368 0.047,1369 5.199,1370 1.773,1371 4.286,1372 0.093,1373 0.026,1374 4.286,1375 1.177,1376 0.363,1377 68.459,1378 0.253,1379 23.525,1380 0.561,1381 110,1382 360.185,1383 118.415,1384 353.193,1385 460.25,1386 324,1387 120,1388 318.727,1389 126.644,1390 326.61,1391 459.55,1392 306,1393 5.29}
{0 CHEMBL1317758,1 1.708,2 11.212,3 3.24,4 10.5,5 130.382,6 7.93,7 0.457,8 4.211,9 4.308,10 3.975,11 3.77,12 5.272,13 3.707,14 4.772,15 4.943,16 4.286,17 4.13,18 5.931,19 4.059,20 4.949,21 5.116,22 4.384,23 4.279,24 6.083,25 4.183,26 5.101,27 5.296,28 4.433,29 4.315,30 6.252,31 4.21,32 5.071,33 5.273,34 4.29,35 4.29,36 6.292,37 4.155,38 5.051,39 5.27,40 4.307,41 4.26,42 6.064,43 4.136,44 5.029,45 5.187,46 4.435,47 4.265,48 6.307,49 4.198,50 5.12,51 5.29,52 4.271,53 4.348,54 6.258,55 4.229,56 0.091,57 0.907,58 15.471,59 6.707,60 17.037,61 7.653,62 0.566,63 1.451,64 30.975,65 10.361,66 61.694,67 12.37,68 0.486,69 1.679,70 37.927,71 13.535,72 62.038,73 15.429,74 0.817,75 1.86,76 48.555,77 15.071,78 102.076,79 17.397,80 0.946,81 1.843,82 46.747,83 15.133,84 124.726,85 18.146,86 0.609,87 1.83,88 50,89 14.765,90 61.287,91 17.465,92 0.942,93 1.712,94 40.193,95 13.074,96 98.854,97 14.722,98 0.757,99 1.879,100 46.58,101 15.443,102 99.711,103 17.459,104 62,105 49,106 0.274,107 0.569,108 0.745,109 0.801,110 0.819,111 0.834,112 3.532,113 1.112,114 -3.93,115 -3.89,116 -3.69,119 37.1,121 2,124 4,125 3,141 7,143 3,145 1,150 1,156 1,160 1,171 5,173 3,174 8,182 4,185 1,186 10,194 3,198 3,199 10,207 6,212 7,213 4,221 2,225 2,226 6,234 1,238 4,239 14,247 4,251 4,259 4,263 4,264 4,271 4,274 2234,275 21.886,276 21.886,277 21.886,278 21.886,279 21.886,280 19.644,281 26.286,282 12.815,283 22.933,284 17.114,285 17.114,286 17.114,287 17.114,288 17.114,289 13.456,290 31.979,291 5.867,292 18.657,293 4.247,294 2.41,295 1.313,296 0.964,297 0.855,298 0.758,299 4.208,306 1,307 769,308 5,311 79.547,312 236.598,315 156.283,319 1.612,320 46.399,323 1,324 0.67,325 0.83,326 1,327 0.5,328 0.83,329 0.5,330 0.76,331 72.5,332 370,333 4.843,334 5.247,335 7.293,336 4.237,337 3.375,338 4.694,339 2.95,340 12.406,341 2.968,342 4.657,343 3.754,344 6.771,345 4.147,346 3.23,347 4.618,348 1.94,349 11.148,350 2.876,351 4.08,352 3.31,353 6.383,354 3.8,355 2.858,356 3.376,357 0.86,358 9.687,359 2.686,360 3.668,361 2.816,362 5.685,363 3.238,364 2.324,365 3.073,366 0.86,367 7.46,368 2.113,369 3.56,370 2.723,371 5.116,372 3.138,373 2.221,374 3.054,375 0.8,376 5.966,377 2.042,378 3.456,379 2.662,380 4.912,381 3.052,382 2.1,383 2.751,384 0.555,385 5.361,386 1.994,387 3.226,388 2.563,389 4.66,390 2.958,391 2.003,392 2.228,394 5.176,395 1.873,396 2.967,397 2.015,398 4.631,399 2.567,400 1.602,401 2.11,403 4.463,404 1.532,405 2.703,406 1.731,407 3.93,408 2.235,409 1.291,410 1.777,412 3.132,413 1.208,414 2.5,415 1.437,416 3.781,417 2.187,418 1.208,419 1.5,421 2.763,422 1.174,423 2.429,424 1.218,425 3.641,426 2,427 1,428 1.411,430 2.317,431 1,432 2.25,433 1.199,434 3.247,435 1.697,436 0.872,437 1.16,439 2.136,440 0.709,441 1.949,442 1.009,443 3.226,444 1.665,445 0.778,446 0.881,448 1.651,449 0.679,450 1.817,451 1,452 3.083,453 1.605,454 0.678,455 0.739,457 1.319,458 0.623,459 1.598,460 0.818,461 2.968,462 1.275,463 0.278,464 0.332,466 0.64,467 0.272,468 16.033,469 0.486,470 0.91,471 0.028,472 41.25,473 1.25,474 20,475 0.606,476 21.25,477 0.644,478 32.171,479 0.975,480 37.367,481 0.603,482 34.928,483 1.058,484 8.033,485 0.243,486 7.73,487 0.234,488 0.187,489 0.052,490 0.268,493 0.657,494 1.468,495 0.812,496 1.229,497 0.618,498 1.057,499 1.011,500 0.922,501 0.903,502 0.853,503 0.647,504 0.778,505 1.092,506 1.163,507 1.058,508 1.109,509 1.124,510 1.009,511 1.187,512 1.026,513 1.079,514 1.07,515 1.414,516 0.957,517 0.736,518 1.142,519 1.193,520 1.17,521 0.939,522 1.086,523 0.922,524 1.064,525 1.108,526 1.113,527 0.892,528 0.966,529 1.425,530 1.041,531 1.023,532 0.972,533 1.299,534 0.97,535 1.513,536 1.163,537 1.372,538 1.219,539 1.589,540 1.228,541 7.5,542 0.393,543 4.667,544 2.535,545 1.868,546 1.438,547 1.151,548 0.657,549 0.441,550 0.47,551 13744,552 40452,553 1.969,554 46.8,556 25,560 2,562 2,564 1.76,565 1.808,566 3.404,567 -0.691,573 105.872,574 1.708,575 3.544,576 4.641,577 4.99,578 5.099,579 5.196,580 2.821,581 4.378,582 5.015,583 3.634,584 1918.98,585 8.826,586 29082.9,591 369.16,592 1.645,593 4.947,594 0.214,595 0.009,596 0.095,597 0.049,598 0.037,599 0.031,600 0.024,601 0.012,602 0.01,603 0.011,604 0.492,605 0.33,606 0.75,607 1.4,608 174.102,609 0.046,610 -0.251,611 0.171,612 -0.084,613 -0.087,614 -0.027,615 0.01,616 0.2,617 0.116,618 0.179,619 0.135,620 0.187,621 -0.082,622 -0.077,623 0.003,624 -0.027,625 -0.058,626 -0.018,627 -0.056,628 0.015,629 0.029,630 -0.01,631 -0.107,632 0.016,633 0.21,634 -0.083,635 -0.092,636 -0.101,637 0.176,638 -0.096,639 -0.028,640 0.001,641 0.008,642 -0.048,643 -0.01,644 0.024,645 -0.042,646 0.013,647 -0.02,648 0.012,649 0.039,650 -0.046,651 -0.305,652 -0.123,653 -0.325,654 -0.175,655 -0.243,656 -0.264,657 4.48,658 6.235,659 0.455,660 34.676,661 1.009,662 1.125,663 2.701,664 7.294,665 0.669,666 3.584,667 3.912,668 4.159,669 4.382,670 4.585,671 4.718,672 4.844,673 4.828,674 4.868,675 4.97,676 7.059,677 0.627,678 491.69,679 3.584,680 5.13,681 5.974,682 6.858,683 7.728,684 8.62,685 9.503,686 10.4,687 11.29,688 12.19,689 4.8,692 1,696 1,699 1,706 2,707 7,708 1,711 1,712 4,714 16,730 2,733 62,735 19,736 2,737 35,739 64,740 23,741 13,742 5,743 7,747 3,748 4,760 2,762 14,763 9,766 3,769 1,771 3,775 1,782 29,783 8,785 10,786 2,791 3,796 0.667,797 5,815 1,816 2,819 1,830 1,841 1,845 2,848 2,850 4,854 33,857 1,862 5,865 2,868 2,872 1,878 8.1,881 3,883 2,885 18.25,886 12.35,887 7.431,888 3.474,890 2.733,891 1.368,892 0.952,893 8.822,894 10.159,895 3.85,896 4.463,897 5.005,898 5.572,899 6.08,900 6.393,901 6.751,902 6.97,903 7.054,904 7.257,905 1,906 52,907 12.514,909 5.474,910 7.891,911 23.26,913 18.74,915 2.391,916 78.917,920 341.362,921 172.529,922 23.034,924 91.458,926 37.324,927 135.206,928 432.82,929 23.034,930 38.559,931 13.304,932 72.38,933 90.948,934 39.807,935 0.746,936 372.64,938 341.362,939 158.24,940 91.458,941 37.324,943 317.82,944 115,947 19.074,948 122.381,949 22.831,950 31.278,951 341.362,952 114.492,953 172.529,955 6.046,956 341.362,957 61.591,958 111.141,960 108.243,961 341.362,962 114.492,963 172.529,965 0.579,966 0.336,967 0.174,968 0.094,969 21,970 11,971 0.172,972 11,973 1,974 1.133,975 4.194,976 298.422,977 0.133,978 15,979 158.465,981 1,984 1,985 25.569,986 11.386,987 6.297,988 1.383,989 114.492,990 11.755,991 4.669,994 1.329,995 1.933,998 628.383,999 46,1002 -3.564,1004 38.602,1008 -0.287,1011 62.582,1012 69.78,1013 0.287,1014 0.595,1015 0.779,1016 0.838,1017 0.856,1018 0.873,1019 5.094,1020 1.602,1021 5.994,1022 5.176,1023 4.595,1024 5.15,1025 3.368,1026 6.853,1027 4.426,1028 6.328,1029 1.291,1030 7.595,1031 4.463,1032 4.369,1033 5.255,1034 1.738,1035 8.072,1036 4.048,1037 7.678,1038 1.208,1039 9.312,1040 3.132,1041 6.275,1042 7.481,1043 5.157,1044 11.112,1045 5.904,1046 9.076,1047 1,1048 11.1,1049 2.763,1050 6.878,1051 8.434,1052 3.144,1053 13.149,1054 6.324,1055 10.513,1056 0.872,1057 12.934,1058 2.317,1059 8.301,1060 10.205,1061 7.232,1062 15.786,1063 7.693,1064 11.978,1065 0.778,1066 14.8,1067 2.136,1068 9.25,1069 11.504,1070 4.541,1071 18.106,1072 8.461,1073 13.465,1074 0.678,1075 16.688,1076 1.651,1077 10.512,1078 13.125,1079 9.366,1080 20.632,1081 9.648,1082 3.375,1083 0.278,1084 18.593,1085 1.319,1086 11.604,1087 14.565,1088 5.912,1089 23.055,1090 10.575,1091 3.23,1092 12.406,1093 20.51,1094 0.64,1095 12.814,1096 16.133,1097 11.519,1098 25.551,1099 11.689,1100 2.858,1101 11.148,1102 22.436,1103 4.694,1104 13.965,1105 17.631,1106 7.263,1107 28.016,1108 12.69,1109 2.324,1110 9.687,1111 24.371,1112 4.618,1113 15.161,1114 19.181,1115 13.678,1116 30.507,1117 13.775,1118 2.221,1119 7.46,1120 26.312,1121 3.376,1122 16.337,1123 20.703,1124 8.602,1125 32.989,1126 14.81,1127 2.1,1128 5.966,1129 28.257,1130 3.073,1131 17.531,1132 22.245,1133 15.84,1134 35.483,1135 15.884,1136 2.003,1137 5.361,1138 30.207,1139 3.054,1140 18.718,1141 23.777,1142 9.936,1143 37.976,1144 16.936,1145 13677,1146 23700,1147 22.364,1148 41.483,1149 52.089,1150 54.805,1151 54.653,1152 52.048,1153 51.987,1154 67.823,1155 15.932,1156 151.765,1157 47.8,1158 5.795,1159 7.247,1160 7.095,1161 5.389,1162 5.375,1163 7.694,1164 5.9,1165 19.613,1166 4.968,1167 20.235,1168 1.488,1169 1.566,1170 1.562,1171 1.487,1172 1.485,1173 1.938,1174 0.455,1175 4.336,1176 1.366,1177 4.108,1178 4.101,1179 4.742,1180 4.111,1181 7.714,1182 4.025,1183 4.049,1184 4.034,1185 4.331,1186 4.035,1187 7.427,1188 3.977,1189 3.756,1190 3.818,1191 3.684,1192 3.628,1193 6.999,1194 3.606,1195 3.68,1196 3.718,1197 3.644,1198 3.545,1199 5.033,1200 3.523,1201 3.533,1202 3.569,1203 3.518,1204 3.355,1205 4.715,1206 3.34,1207 3.325,1208 3.371,1209 3.396,1210 3.178,1211 4.607,1212 3.133,1213 3.284,1214 3.338,1215 3.192,1216 3.071,1217 4.517,1218 3.06,1219 3.264,1220 3.301,1221 3.083,1222 3.033,1223 4.332,1224 3.05,1225 0.138,1226 0.15,1227 0.208,1228 0.121,1229 0.096,1230 4.843,1231 0.134,1232 5.247,1233 0.084,1234 7.293,1235 0.354,1236 4.237,1237 0.085,1238 3.375,1239 4.694,1240 2.95,1241 12.406,1242 2.968,1243 1.981,1244 1.997,1245 2.003,1246 2.037,1247 1.32,1248 2.087,1249 1.887,1250 1.882,1251 1.95,1252 1.982,1253 1.239,1254 1.972,1255 1.733,1256 1.682,1257 1.931,1258 1.939,1259 1.104,1260 1.948,1261 1.634,1262 1.594,1263 1.796,1264 1.816,1265 1.007,1266 1.831,1267 1.451,1268 1.411,1269 1.679,1270 1.66,1271 0.839,1272 1.691,1273 1.267,1274 1.215,1275 1.593,1276 1.572,1277 0.597,1278 1.576,1279 1.212,1280 1.169,1281 1.535,1282 1.444,1283 0.566,1284 1.476,1285 1.134,1286 1.056,1287 1.417,1288 1.429,1289 0.556,1290 1.461,1291 4.263,1293 5.587,1294 2.398,1295 7.104,1296 4.727,1297 8.711,1298 6.88,1299 10.367,1301 7.071,1307 1.52,1310 10.893,1313 3.612,1318 38.861,1319 105.872,1320 219.75,1321 287.734,1322 309.386,1323 316.141,1324 322.141,1325 94.091,1326 7.427,1327 89.04,1328 125.66,1329 17,1330 12.715,1331 4.322,1332 3.585,1333 63.758,1334 132,1335 148,1336 0.222,1337 248.421,1338 429.53,1339 597.907,1340 15702,1342 24.01,1343 0.728,1344 0.634,1345 24.613,1346 20.909,1347 15.762,1348 0.45,1349 0.371,1350 10.521,1351 13.793,1352 9.916,1353 8.298,1354 16.992,1355 12.978,1356 14.301,1357 0.292,1358 0.221,1359 16.24,1360 10.815,1361 11.477,1362 0.182,1363 0.126,1364 13.409,1365 7.93,1366 9.097,1367 0.115,1368 0.073,1369 11.044,1370 5.733,1371 7.078,1372 0.073,1373 0.04,1374 8.817,1375 3.87,1376 0.344,1377 112.403,1378 0.211,1379 30.452,1380 0.62,1381 168,1382 561.334,1383 249.279,1384 568.033,1385 756.58,1386 526,1387 196,1388 496.284,1389 283.079,1390 552.201,1391 802.68,1392 511,1393 4.494}
{0 CHEMBL1319018,1 1.79,2 12.703,3 4.32,4 18.658,5 146.73,6 8.181,7 0.3,8 4.304,9 4.414,10 4.055,11 3.841,12 5.378,13 3.803,14 4.886,15 5.058,16 4.393,17 4.258,18 6.151,19 4.2,20 5.176,21 5.376,22 4.507,23 4.466,24 6.257,25 4.365,26 5.296,27 5.512,28 4.478,29 4.44,30 6.492,31 4.343,32 5.192,33 5.412,34 4.346,35 4.341,36 6.38,37 4.263,38 5.123,39 5.332,40 4.328,41 4.315,42 6.27,43 4.225,44 5.099,45 5.298,46 4.349,47 4.296,48 6.373,49 4.21,50 5.117,51 5.311,52 4.359,53 4.275,54 6.459,55 4.207,56 0.22,57 1.027,58 15.4,59 6.321,60 21.829,61 7.844,62 0.675,63 1.649,64 28.349,65 10.515,66 86.62,67 13.592,68 0.66,69 2.059,70 47.609,71 15.952,72 70.06,73 19.734,74 1.083,75 2.074,76 57.477,77 17.143,78 161.2,79 21.359,80 0.954,81 1.921,82 45.931,83 14.576,84 121.934,85 18.909,86 0.864,87 1.831,88 41.079,89 13.835,90 111.061,91 17.607,92 0.929,93 1.807,94 43.699,95 14.069,96 145.724,97 17.374,98 1.218,99 1.808,100 44.821,101 12.857,102 181.801,103 16.048,104 51,105 57,106 0.281,107 0.572,108 0.736,109 0.835,110 0.835,111 0.835,112 3.642,113 1.048,114 -3.98,115 -3.93,116 -3.73,119 37.3,121 3,124 1,125 6,134 2,141 6,142 1,143 5,156 1,164 2,171 8,173 4,174 5,177 1,179 2,182 8,185 1,186 15,189 1,191 2,194 7,199 17,204 2,207 3,212 1,213 12,216 3,218 2,221 7,225 3,226 7,229 1,231 1,234 8,238 4,239 4,242 1,244 2,247 5,250 3,251 9,254 2,256 2,259 4,263 3,264 9,271 5,274 3089,275 24.341,276 24.341,277 24.341,278 24.341,279 24.341,280 22.06,281 31.639,282 14.18,283 24.963,284 19.698,285 19.698,286 19.698,287 19.698,288 19.698,289 16.032,290 41.757,291 6.708,292 20.745,293 4.276,294 2.429,295 1.385,296 0.758,297 0.758,298 0.758,299 4.33,302 1,306 1,307 998,308 4.416,312 544.538,319 1.797,320 58.424,323 0.75,324 0.67,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.75,331 81.833,332 470,333 4.937,334 4.726,335 7.668,336 4.441,337 3.518,338 4.767,339 2.612,340 13.626,341 3.223,342 4.41,343 3.819,344 6.516,345 3.974,346 3.021,347 4.141,348 1.058,349 10.251,350 2.878,351 4.301,352 3.492,353 6.366,354 3.923,355 2.975,356 3.855,357 0.8,358 9.56,359 2.812,360 3.844,361 3.196,362 5.607,363 3.468,364 2.506,365 3.282,366 0.8,367 7.132,368 2.42,369 3.63,370 2.947,371 5.362,372 3.34,373 2.371,374 2.916,375 0.4,376 6.735,377 2.271,378 3.513,379 2.713,380 5.262,381 3.169,382 2.185,383 2.663,385 6.362,386 2.145,387 3.35,388 2.58,389 5.014,390 3.115,391 2.175,392 2.611,394 5.992,395 2.034,396 3.286,397 2.361,398 4.779,399 2.814,400 1.869,401 2.367,403 5.158,404 1.768,405 3.046,406 2.206,407 4.693,408 2.748,409 1.829,410 2.087,412 4.742,413 1.603,414 2.911,415 1.631,416 4.316,417 2.518,418 1.532,419 2.004,421 4.009,422 1.501,423 2.607,424 1.419,425 4.011,426 2.216,427 1.244,428 1.596,430 3.264,431 1.205,432 2.542,433 1.394,434 3.61,435 2.021,436 1.053,437 1.547,439 2.611,440 1.017,441 2.376,442 1.169,443 3.554,444 2,445 1,446 1.192,448 2.426,449 1,450 2.238,451 1.146,452 3.414,453 1.984,454 1,455 1.04,457 2.275,458 0.983,459 2,460 1.077,461 3.247,462 1.967,463 1,464 1,466 2.136,467 0.965,468 17.714,469 0.479,470 1.112,471 0.03,472 46.25,473 1.25,474 22,475 0.595,476 24.25,477 0.655,478 35.597,479 0.962,480 41.686,481 0.622,482 42.107,483 1.138,484 8.767,485 0.237,486 8.879,487 0.24,488 0.163,489 0.047,490 0.288,493 0.457,494 1.504,495 0.706,496 1.218,497 0.529,498 1.012,499 0.634,500 1.104,501 0.742,502 0.866,503 0.419,504 0.901,505 0.791,506 1.116,507 1.074,508 1.185,509 0.625,510 1.046,511 1.082,512 1.06,513 1.039,514 1.096,515 1.112,516 0.998,517 1.004,518 0.958,519 0.8,520 0.907,521 1.074,522 0.9,523 1.016,524 0.996,525 0.84,526 0.94,527 1.103,528 1.005,529 0.922,530 1.122,531 1.007,532 1.12,533 0.942,534 1.019,535 1.111,536 1.024,537 1.038,538 1.042,539 1.136,540 1,541 9,542 0.297,543 5.333,544 3.063,545 2.138,546 1.486,547 1.174,548 0.776,549 0.481,550 0.374,551 20424,552 63840,553 2.016,554 44.8,555 2,556 23,559 1,561 4,564 1.786,565 1.858,566 3.62,567 -0.284,573 119.906,574 1.79,575 3.637,576 4.681,577 5.309,578 5.309,579 5.309,580 3.034,581 4.885,582 5.18,583 3.84,584 2557.3,585 9.144,586 42371.2,591 406.428,592 1.621,593 5.118,594 0.225,595 0.006,596 0.094,597 0.05,598 0.038,599 0.027,600 0.023,601 0.015,602 0.009,603 0.008,604 0.494,605 0.33,606 0.75,607 0.736,608 203.594,609 0.151,610 -0.205,611 0.141,612 -0.082,613 -0.036,614 -0.014,615 0.143,616 0.071,617 0.076,618 0.111,619 0.231,620 0.054,621 -0.031,622 -0.016,623 -0.04,624 -0.075,625 0.043,626 -0.031,627 -0.061,628 -0.091,629 -0.012,630 -0.06,631 -0.036,633 -0.032,634 0.032,635 0.032,636 0.043,637 -0.048,638 0.073,639 -0.061,640 0.015,641 -0.006,642 0.007,643 -0.115,644 -0.035,645 0.06,646 -0.078,647 -0.042,648 -0.068,649 0.078,650 -0.036,651 0.023,652 0.029,653 -0.095,654 -0.044,655 0.051,656 -0.06,657 4.605,658 6.294,659 0.649,660 43.04,661 1.015,662 1.131,663 2.748,664 7.552,665 0.667,666 3.714,667 4.06,668 4.304,669 4.511,670 4.745,671 4.787,672 4.942,673 4.977,674 5.056,675 5.182,676 7.946,677 0.635,678 548.12,679 3.714,680 5.273,681 6.12,682 7.002,683 7.87,684 8.755,685 9.631,686 10.518,687 11.4,688 12.289,689 7.5,692 2,695 1,696 1,700 1,707 6,712 6,714 12,726 1,727 1,732 1,733 67,735 18,736 2,737 40,739 70,740 25,741 12,742 6,743 6,744 3,747 4,748 4,749 1,757 3,760 3,762 15,763 10,766 6,768 1,769 1,771 5,773 2,775 1,782 30,783 9,784 1,785 12,786 2,791 5,796 1,797 5,816 4,829 1,835 2,841 1,845 4,848 1,850 1,851 1,854 37,858 1,862 9,864 1,868 3,877 1,878 7.5,881 3,884 2,885 19.917,886 12.11,887 8.028,888 4.091,890 3.01,891 1.383,892 0.973,893 8.88,894 10.867,895 3.97,896 4.554,897 5.027,898 5.494,899 6.009,900 6.27,901 6.634,902 6.766,903 6.919,904 7.222,905 1,906 61,907 14.066,909 6.367,910 8.032,911 26.023,913 21.763,915 2.532,916 93.694,920 341.362,921 131.463,922 31.448,923 39.149,924 120.205,926 5.807,927 125.656,928 500.715,929 31.448,930 14.066,931 38.249,932 81.617,933 74.163,934 24.274,936 341.362,937 89.896,938 341.362,939 157.104,940 120.205,941 44.956,943 294.278,944 116.542,945 50.747,947 42.891,948 89.59,949 69.579,951 341.362,952 151.653,953 170.612,955 5.807,956 341.362,957 41.45,958 97.644,959 18.011,960 159.353,961 341.362,962 151.653,963 170.612,965 0.591,966 0.341,967 0.173,968 0.097,969 26,970 13,971 0.1,972 7,974 1,975 4.577,976 355.612,978 24,979 180.75,984 1,985 27.551,986 11.926,987 6.696,989 145.983,990 9.141,995 1.48,997 18.011,998 663.627,999 52,1001 -0.587,1002 -3.688,1004 61.757,1006 2.703,1008 -0.486,1011 68.032,1012 75.8,1013 0.295,1014 0.6,1015 0.772,1016 0.875,1017 0.875,1018 0.875,1019 5.236,1020 1.869,1021 6.142,1022 5.992,1023 4.745,1024 5.242,1025 2.814,1026 6.993,1027 4.642,1028 6.461,1029 1.829,1030 7.74,1031 5.158,1032 4.511,1033 5.338,1034 2.431,1035 8.191,1036 4.303,1037 7.804,1038 1.532,1039 9.455,1040 4.742,1041 6.415,1042 7.496,1043 4.208,1044 11.262,1045 6.189,1046 9.188,1047 1.244,1048 11.244,1049 4.009,1050 6.995,1051 8.424,1052 4.513,1053 13.349,1054 6.648,1055 10.613,1056 1.053,1057 13.085,1058 3.264,1059 8.432,1060 10.147,1061 5.957,1062 16.048,1063 8.056,1064 12.067,1065 1,1066 14.966,1067 2.611,1068 9.373,1069 11.42,1070 6.557,1071 18.465,1072 8.876,1073 13.544,1074 1,1075 16.877,1076 2.426,1077 10.652,1078 13.007,1079 7.796,1080 21.078,1081 10.104,1082 3.518,1083 1,1084 18.812,1085 2.275,1086 11.754,1087 14.426,1088 8.548,1089 23.614,1090 11.093,1091 3.021,1092 13.626,1093 20.765,1094 2.136,1095 12.986,1096 15.973,1097 9.67,1098 26.213,1099 12.255,1100 2.975,1101 10.251,1102 22.734,1103 4.767,1104 14.16,1105 17.456,1106 10.509,1107 28.792,1108 13.324,1109 2.506,1110 9.56,1111 24.716,1112 4.141,1113 15.383,1114 18.994,1115 11.563,1116 31.393,1117 14.466,1118 2.371,1119 7.132,1120 26.707,1121 3.855,1122 16.591,1123 20.508,1124 12.452,1125 33.989,1126 15.574,1127 2.185,1128 6.735,1129 28.706,1130 3.282,1131 17.818,1132 22.047,1133 13.468,1134 36.594,1135 16.712,1136 2.175,1137 6.362,1138 30.712,1139 2.916,1140 19.043,1141 23.579,1142 14.386,1143 39.198,1144 17.84,1145 19703,1146 35214,1147 25.948,1148 44.705,1149 60.507,1150 63.351,1151 62.284,1152 60.39,1153 60.14,1154 76.399,1155 11.342,1156 176.281,1157 57.147,1158 5.937,1159 6.726,1160 7.47,1161 5.508,1162 5.518,1163 7.767,1164 4.612,1165 21.632,1166 5.223,1167 22.021,1168 1.513,1169 1.584,1170 1.557,1171 1.51,1172 1.503,1173 1.91,1174 0.284,1175 4.407,1176 1.429,1177 4.12,1178 4.12,1179 4.743,1180 4.087,1181 7.815,1182 4.012,1183 3.998,1184 4.014,1185 4.077,1186 3.904,1187 7.715,1188 3.902,1189 3.869,1190 3.924,1191 3.854,1192 3.719,1193 7.43,1194 3.705,1195 3.746,1196 3.808,1197 3.63,1198 3.588,1199 6.999,1200 3.579,1201 3.637,1202 3.655,1203 3.593,1204 3.463,1205 6.999,1206 3.461,1207 3.518,1208 3.523,1209 3.522,1210 3.371,1211 4.908,1212 3.337,1213 3.402,1214 3.423,1215 3.5,1216 3.023,1217 4.709,1218 3.113,1219 3.157,1220 3.256,1221 3.24,1222 2.941,1223 4.427,1224 2.91,1225 0.123,1226 0.118,1227 0.192,1228 0.111,1229 0.088,1230 4.937,1231 0.119,1232 4.726,1233 0.065,1234 7.668,1235 0.341,1236 4.441,1237 0.081,1238 3.518,1239 4.767,1240 2.612,1241 13.626,1242 3.223,1243 1.992,1244 1.992,1245 2.049,1246 2.102,1247 1.418,1248 2.121,1249 1.934,1250 1.916,1251 2.023,1252 2.073,1253 1.31,1254 2.043,1255 1.819,1256 1.764,1257 2.002,1258 2.011,1259 1.137,1260 2.023,1261 1.713,1262 1.648,1263 1.89,1264 1.899,1265 1.116,1266 1.912,1267 1.516,1268 1.498,1269 1.615,1270 1.755,1271 0.825,1272 1.71,1273 1.365,1274 1.373,1275 1.537,1276 1.596,1277 0.825,1278 1.587,1279 1.176,1280 1.144,1281 1.513,1282 1.524,1283 0.73,1284 1.5,1285 1.153,1286 1.064,1287 1.513,1288 1.405,1289 0.638,1290 1.441,1291 4.394,1293 5.733,1295 7.266,1297 8.885,1299 10.549,1301 2.042,1302 5.864,1307 6.807,1309 2.83,1313 5.831,1318 42.544,1319 119.906,1320 243.66,1321 313.634,1322 355.673,1323 355.673,1324 355.673,1325 109.519,1326 7.857,1327 118.78,1328 127.16,1329 24,1330 12.82,1331 4.248,1332 3.7,1333 64.54,1334 167,1335 173,1336 0.175,1337 268.075,1338 478.73,1339 645.864,1340 28490,1341 1.5,1342 26.579,1343 0.718,1344 0.599,1345 27.329,1346 22.171,1347 17.646,1348 0.441,1349 0.349,1350 12.119,1351 15.774,1352 11.722,1353 9.666,1354 18.723,1355 13.975,1356 16.593,1357 0.291,1358 0.203,1359 18.282,1360 11.57,1361 13.413,1362 0.184,1363 0.121,1364 15.099,1365 8.831,1366 10.543,1367 0.117,1368 0.069,1369 11.983,1370 6.203,1371 8.626,1372 0.076,1373 0.041,1374 9.818,1375 4.627,1376 0.276,1377 122.646,1378 0.196,1379 33.662,1380 0.479,1381 194,1382 638.655,1383 270.737,1384 658.254,1385 862.12,1386 602,1387 227,1388 572.729,1389 308.434,1390 619.124,1391 899.97,1392 578,1393 4.303}
{0 CHEMBL1319026,1 1.696,2 10.179,3 4.271,4 18.243,5 115.78,6 8.925,7 0.677,8 3.945,9 4.026,10 3.747,11 3.619,12 5.128,13 3.561,14 4.429,15 4.55,16 4.15,17 4.003,18 5.546,19 3.931,20 4.532,21 4.638,22 4.243,23 4.081,24 5.751,25 4.014,26 4.661,27 4.779,28 4.286,29 4.18,30 5.906,31 4.083,32 4.764,33 4.908,34 4.311,35 4.215,36 5.956,37 4.078,38 4.72,39 4.897,40 4.086,41 4.095,42 5.873,43 3.961,44 4.65,45 4.87,46 3.86,47 3.858,48 5.779,49 3.743,50 4.446,51 4.64,52 3.712,53 3.715,54 5.606,55 3.608,56 0.052,57 0.606,58 7.583,59 4.357,60 8.876,61 4.702,62 0.228,63 0.99,64 18.009,65 7.915,66 19.726,67 8.163,68 0.289,69 1.128,70 18.911,71 8.351,72 20.839,73 8.512,74 0.276,75 1.26,76 22.469,77 10.322,78 39.848,79 10.55,80 0.53,81 1.458,82 33.91,83 12.396,84 54.694,85 11.836,86 0.314,87 1.399,88 30.146,89 11.74,90 36.589,91 12.765,92 0.426,93 1.271,94 27.729,95 10.028,96 56.165,97 11.183,98 0.427,99 0.979,100 23.308,101 8.655,102 54.412,103 9.157,104 30,105 45,106 0.287,107 0.648,108 0.772,109 0.837,110 0.844,111 0.851,112 3.375,113 0.99,114 -3.87,115 -3.82,116 -3.63,119 45.7,120 1,124 2,141 6,142 3,143 3,145 1,149 1,150 2,155 1,159 1,161 1,162 1,163 1,171 6,174 7,179 1,182 9,184 1,185 1,186 8,191 2,194 9,197 2,199 4,201 2,202 2,204 2,207 8,210 2,212 2,213 4,218 4,221 8,223 4,225 1,226 5,231 3,234 6,236 3,239 6,241 1,242 1,247 6,250 1,251 3,253 1,254 1,259 8,263 1,264 2,271 5,274 1160,275 19.033,276 19.033,277 19.033,278 19.033,279 19.033,280 16.494,281 14.111,282 10.89,283 19.789,284 15.143,285 15.143,286 15.143,287 15.143,288 15.143,289 11.109,290 13.348,291 4.966,292 16.206,293 3.827,294 1.689,295 0.952,296 0.571,297 0.527,298 0.484,299 4.066,305 1,306 1,307 617,308 3.162,311 125.733,312 165.339,315 113.114,319 1.548,320 27.848,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 60,332 285,333 4.767,334 3.642,335 7.029,336 4.303,337 3.346,338 4.732,339 0.86,340 12.01,341 3.206,342 4.355,343 3.252,344 6.47,345 3.968,346 2.987,347 3.998,348 0.86,349 9.975,350 2.935,351 4.122,352 3.147,353 6.146,354 3.706,355 2.766,356 3.691,358 9.009,359 2.591,360 3.883,361 2.627,362 5.858,363 3.418,364 2.485,365 3.384,367 7.984,368 2.302,369 3.646,370 2.463,371 5.399,372 3.227,373 2.265,374 3.05,376 6.664,377 2.163,378 3.273,379 2.196,380 5.052,381 2.771,382 1.82,383 2.632,385 5.658,386 1.722,387 3.195,388 1.943,389 4.793,390 2.674,391 1.77,392 2.462,394 5.105,395 1.579,396 2.919,397 1.826,398 4.397,399 2.521,400 1.609,401 2.057,403 4.14,404 1.461,405 2.748,406 1.782,407 4.28,408 2.298,409 1.341,410 1.805,412 3.514,413 1.267,414 2.423,415 1.234,416 3.735,417 1.853,418 0.899,419 1.303,421 2.216,422 0.835,423 2.138,424 1.051,425 3.284,426 1.606,427 0.7,428 0.955,430 1.698,431 0.623,432 2.118,433 0.934,434 3.022,435 1.476,436 0.618,437 0.927,439 1.372,440 0.507,441 1.863,442 0.762,443 3,444 1.457,445 0.549,446 0.717,448 1.081,449 0.492,450 1.451,451 0.618,452 2.722,453 1.177,454 0.32,455 0.354,457 0.429,458 0.272,459 1.067,460 0.06,461 2.673,462 0.703,463 -0.245,464 -0.301,466 -0.621,467 -0.23,468 13.967,469 0.499,470 0.73,471 0.026,472 38.5,473 1.375,474 21,475 0.75,476 17.5,477 0.625,478 23.959,479 0.856,480 28.633,481 0.622,482 28.717,483 1.026,484 7.504,485 0.268,486 6.024,487 0.215,488 0.16,490 0.394,493 0.816,494 0.934,495 0.702,496 0.799,497 0.751,498 0.783,499 1.136,500 0.818,501 0.795,502 0.725,503 0.744,504 0.631,505 0.941,506 1.086,507 0.914,508 0.997,509 0.952,510 0.896,511 1.057,512 1.057,513 1.038,514 1.046,515 1.179,516 1.001,517 1.149,518 1.1,519 1.247,520 1.116,521 1.26,522 1.068,523 0.665,524 1.303,525 1.189,526 1.288,527 0.893,528 1.193,529 1.054,530 0.913,531 0.864,532 0.903,533 1.57,534 0.956,535 1.353,536 0.774,537 0.968,538 0.816,539 1.88,540 0.84,541 5.5,542 0.16,543 3.556,544 2.632,545 2.143,546 1.431,547 0.77,548 0.437,549 0.295,550 0.191,551 8991,552 26930,553 2.072,554 39.1,556 12,557 1,559 2,560 3,564 1.714,565 1.909,566 3.318,567 0.247,569 1,573 78.032,574 1.696,575 3.835,576 4.572,577 4.953,578 4.996,579 5.04,580 2.751,581 4.253,582 4.778,583 3.462,584 1308.68,585 8.331,586 16611.9,588 1,590 1,591 254.084,592 1.497,593 4.723,594 0.177,595 0.009,596 0.079,597 0.055,598 0.044,599 0.032,600 0.02,601 0.015,602 0.011,603 0.008,604 0.449,605 0.33,606 1,607 0.887,608 138.283,609 -0.063,610 0.056,611 0.055,612 0.072,613 -0.123,614 0.058,615 -0.12,616 0.165,617 0.15,618 0.254,619 -0.031,620 0.283,621 0.051,622 -0.059,623 0.007,624 -0.045,625 0.01,626 -0.025,627 -0.04,628 -0.067,629 -0.057,630 -0.046,631 0.051,632 -0.089,633 -0.053,634 -0.063,635 -0.098,636 -0.024,637 -0.05,638 -0.117,639 0.101,640 -0.283,641 -0.134,642 -0.261,643 0.105,644 -0.206,645 -0.011,646 0.088,647 0.053,648 0.006,649 -0.105,650 0.033,651 -0.054,652 0.173,653 0.011,654 0.152,655 -0.131,656 0.151,657 1.823,658 6.196,659 0.714,660 24.061,661 1.009,662 1.104,663 2.636,664 6.946,665 0.734,666 3.466,667 3.829,668 4.174,669 4.489,670 4.7,671 4.868,672 5.011,673 5.106,674 5.159,675 5.242,676 6.042,677 0.691,678 410.55,679 3.466,680 5.03,681 5.916,682 6.825,683 7.731,684 8.647,685 9.56,686 10.481,687 11.398,688 12.321,689 4.3,693 1,699 1,706 2,707 7,708 1,711 2,712 8,714 21,719 1,724 1,730 2,733 46,735 22,736 1,737 31,739 49,740 21,741 17,742 3,743 3,744 1,747 4,748 5,753 1,762 18,763 3,766 1,771 1,775 1,779 1,782 18,783 5,784 2,785 7,786 2,791 2,796 0.75,797 3,809 1,815 2,816 2,819 1,845 3,848 2,850 3,854 28,855 1,865 2,873 2,878 6.5,881 1,883 2,885 14.667,886 9.45,887 6.222,888 2.489,890 3.821,891 1.497,892 1.014,893 5.278,894 11.508,895 3.773,896 4.454,897 5.147,898 5.81,899 6.348,900 6.808,901 7.265,902 7.679,903 8,904 8.386,905 0.857,906 48,907 10.344,909 4.44,910 7.75,911 19.593,913 16.079,915 2.25,916 63,919 1,920 188.338,921 190.765,922 49.683,924 47.145,926 62.555,927 128.21,928 235.482,929 49.683,930 30.591,932 97.404,933 47.381,934 46.944,935 14.488,936 239.122,938 188.338,939 177.892,940 47.145,941 62.555,943 188.338,944 47.145,947 11.899,948 149.208,949 16.786,950 62.555,951 188.338,952 96.827,953 190.765,956 188.338,957 95.667,958 95.098,960 96.827,961 188.338,962 96.827,963 190.765,965 0.585,966 0.367,967 0.208,968 0.109,969 23,970 11,971 0.102,972 5,973 1,974 1.1,975 3.808,976 257.162,977 0.1,978 20,979 134.606,981 2,985 19.186,986 7.703,987 3.4,988 1.603,989 96.827,990 13.189,991 4.611,994 2.96,995 5.519,997 32.897,998 475.93,999 42.5,1004 13.196,1008 -0.156,1011 46.407,1012 50.786,1013 0.307,1014 0.694,1015 0.828,1016 0.897,1017 0.905,1018 0.912,1019 5.019,1020 1.609,1021 5.927,1022 5.105,1023 4.511,1024 5.142,1025 1.376,1026 6.808,1027 4.394,1028 6.267,1029 1.341,1030 7.532,1031 4.14,1032 4.205,1033 5.085,1035 7.837,1036 4.074,1037 7.608,1038 0.899,1039 9.237,1040 3.514,1041 6.172,1042 7.461,1043 1.159,1044 10.986,1045 5.978,1046 8.99,1047 0.7,1048 11,1049 2.216,1050 6.698,1051 8.254,1053 12.84,1054 6.479,1055 10.405,1056 0.618,1057 12.8,1058 1.698,1059 8.139,1060 10.091,1061 0.963,1062 15.523,1063 7.88,1064 11.843,1065 0.549,1066 14.625,1067 1.372,1068 9.029,1069 11.275,1071 17.72,1072 8.736,1073 13.3,1074 0.32,1075 16.469,1076 1.081,1077 10.287,1078 12.912,1079 0.787,1080 20.252,1081 9.96,1082 3.346,1083 -0.245,1084 18.327,1085 0.429,1086 11.337,1087 14.283,1089 22.601,1090 10.973,1091 2.987,1092 12.01,1093 20.198,1094 -0.621,1095 12.533,1096 15.848,1097 0.634,1098 25.085,1099 12.135,1100 2.766,1101 9.975,1102 22.078,1103 4.732,1104 13.655,1105 17.308,1107 27.502,1108 13.218,1109 2.485,1110 9.009,1111 23.966,1112 3.998,1113 14.835,1114 18.851,1115 0.504,1116 29.974,1117 14.362,1118 2.265,1119 7.984,1120 25.86,1121 3.691,1122 15.99,1123 20.354,1125 32.423,1126 15.476,1127 1.82,1128 6.664,1129 27.761,1130 3.384,1131 17.169,1132 21.893,1133 0.395,1134 34.895,1135 16.617,1136 1.77,1137 5.658,1138 29.668,1139 3.05,1140 18.341,1141 23.418,1143 37.359,1144 17.748,1145 8672,1146 15150,1147 20.403,1148 33.762,1149 47.417,1150 48.706,1151 49.444,1152 46.807,1153 46.95,1154 64.134,1155 3.44,1156 141.712,1157 43.907,1158 5.547,1159 5.642,1160 6.624,1161 5.446,1162 5.346,1163 7.732,1164 1.72,1165 19.663,1166 5.206,1167 15.028,1168 1.53,1169 1.571,1170 1.595,1171 1.51,1172 1.515,1173 2.069,1174 0.111,1175 4.571,1176 1.416,1177 4.123,1178 4.129,1179 4.375,1180 4.131,1181 7.427,1182 4.086,1183 3.919,1184 3.929,1185 4.177,1186 3.871,1187 5.13,1188 3.85,1189 3.768,1190 3.774,1191 3.874,1192 3.794,1193 4.918,1194 3.727,1195 3.507,1196 3.545,1197 3.519,1198 3.41,1199 4.803,1200 3.393,1201 3.282,1202 3.333,1203 3.203,1204 3.057,1205 4.612,1206 3.077,1207 3.247,1208 3.314,1209 3.051,1210 2.952,1211 4.496,1212 2.96,1213 3.046,1214 3.098,1215 3.047,1216 2.881,1217 4.27,1218 2.855,1219 2.897,1220 3.018,1221 2.865,1222 2.759,1223 4.009,1224 2.729,1225 0.154,1226 0.117,1227 0.227,1228 0.139,1229 0.108,1230 4.767,1231 0.153,1232 3.642,1233 0.028,1234 7.029,1235 0.387,1236 4.303,1237 0.103,1238 3.346,1239 4.732,1240 0.86,1241 12.01,1242 3.206,1243 1.922,1244 1.907,1245 1.984,1246 2.009,1247 1.152,1248 2.002,1249 1.894,1250 1.884,1251 1.955,1252 1.983,1253 1.088,1254 1.983,1255 1.498,1256 1.495,1257 1.652,1258 1.649,1259 0.733,1260 1.648,1261 1.455,1262 1.418,1263 1.598,1264 1.57,1265 0.666,1266 1.596,1267 1.292,1268 1.28,1269 1.576,1270 1.524,1271 0.61,1272 1.539,1273 1.201,1274 1.172,1275 1.553,1276 1.498,1277 0.574,1278 1.52,1279 1.191,1280 1.116,1281 1.356,1282 1.359,1283 0.545,1284 1.419,1285 1.157,1286 1.104,1287 1.147,1288 1.227,1289 0.453,1290 1.285,1291 4.143,1293 5.493,1294 3.045,1295 7.041,1296 5.352,1297 8.684,1298 7.434,1299 10.379,1301 5.047,1305 6.459,1310 10.571,1318 31.776,1319 78.032,1320 176.393,1321 210.309,1322 227.819,1323 229.819,1324 231.819,1325 49.143,1326 7.687,1327 74.44,1328 130.92,1329 22,1330 12.829,1331 4.524,1332 3.644,1333 42.284,1334 101,1335 108,1336 0.208,1337 201.201,1338 337.81,1339 482.691,1340 21427,1342 19.836,1343 0.708,1344 0.616,1345 20.543,1346 17.24,1347 13.528,1348 0.436,1349 0.33,1350 8.56,1351 12.146,1352 8.083,1353 6.741,1354 14.391,1355 10.23,1356 12.15,1357 0.27,1358 0.181,1359 13.349,1360 8.159,1361 10.929,1362 0.171,1363 0.101,1364 12.474,1365 6.467,1366 9.477,1367 0.108,1368 0.057,1369 11.158,1370 5.024,1371 7.201,1372 0.066,1373 0.03,1374 8.57,1375 3.279,1376 0.32,1377 93.299,1378 0.221,1379 26.233,1380 0.595,1381 152,1382 461.885,1383 211.403,1384 485.394,1385 667.9,1386 456,1387 185,1388 460.532,1389 240.84,1390 501.989,1391 740.91,1392 469,1393 5.053}
{0 CHEMBL1319461,1 1.527,2 10.087,3 3.824,4 14.621,5 100.897,6 7.163,7 0.24,8 3.902,9 4.036,10 3.443,11 3.457,12 4.879,13 3.4,14 4.48,15 4.683,16 3.836,17 3.856,18 5.406,19 3.777,20 4.714,21 4.949,22 3.867,23 4.011,24 5.647,25 3.874,26 4.719,27 4.959,28 3.823,29 3.984,30 5.705,31 3.845,32 4.658,33 4.866,34 3.703,35 3.975,36 5.645,37 3.812,38 4.727,39 5.009,40 3.485,41 3.836,42 5.599,43 3.63,44 4.366,45 4.639,46 3.345,47 3.563,48 5.236,49 3.382,50 4.197,51 4.439,52 3.261,53 3.442,54 5.115,55 3.278,56 0.038,57 0.679,58 10.258,59 4.274,60 5.312,61 5.971,62 0.228,63 1.145,64 20.761,65 7.013,66 15.988,67 10.344,68 0.237,69 1.34,70 27.721,71 10.086,72 26.685,73 13.738,74 0.288,75 1.31,76 29.792,77 10.131,78 45.08,79 13.45,80 0.155,81 1.266,82 26.703,83 10.28,84 33.849,85 13.505,86 0.274,87 1.231,88 30.83,89 10.499,90 43.64,91 13.961,92 0.175,93 0.894,94 21.359,95 7.541,96 24.267,97 9.97,98 0.225,99 0.777,100 17.356,101 6.053,102 23.202,103 8.019,104 19,105 35,106 0.265,107 0.592,108 0.774,109 0.833,110 0.833,111 0.833,112 3.188,113 1.045,114 -4.31,115 -4.25,116 -4.01,119 39.1,120 2,121 3,125 3,134 1,137 1,141 3,142 2,143 1,156 1,157 1,171 8,173 1,174 5,177 1,179 1,182 7,186 6,189 1,191 1,194 6,199 4,204 3,207 6,213 6,218 3,221 7,226 4,231 1,234 4,239 2,242 1,247 5,250 2,259 4,269 2,271 3,274 684,275 15.508,276 15.508,277 15.508,278 15.508,279 15.508,280 14.351,281 20.978,282 9.158,283 15.827,284 12.282,285 12.282,286 12.282,287 12.282,288 12.282,289 10.358,290 24.642,291 4.239,292 12.827,293 3.997,294 2.116,295 1.071,296 0.728,297 0.728,298 0.728,299 3.864,304 1,305 1,306 1,307 494,308 2.646,311 139.433,312 77.03,319 1.497,320 16.931,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 48.5,332 232,333 4.418,334 4.039,335 6.648,336 4.098,337 3.15,338 3.978,339 1.821,340 10.558,341 2.999,342 4.297,343 3.409,344 6.461,345 3.975,346 3.014,347 3.687,348 1.068,349 9.988,350 2.895,351 3.753,352 3.238,353 5.584,354 3.438,355 2.472,356 3.033,357 0.8,358 7.469,359 2.382,360 3.394,361 2.596,362 5.271,363 3.063,364 2.105,365 2.537,366 0.214,367 6.269,368 2.012,369 3.163,370 2.263,371 4.91,372 2.821,373 1.847,374 2.258,376 5.304,377 1.782,378 2.939,379 2.012,380 4.627,381 2.561,382 1.644,383 1.963,385 4.545,386 1.486,387 2.751,388 1.82,389 4.032,390 2.408,391 1.414,392 1.823,394 3.463,395 1.405,396 2.367,397 1.529,398 3.471,399 2.119,400 1.123,401 1.267,403 2.227,404 1.113,405 2.023,406 1.005,407 3.309,408 1.882,409 0.908,410 0.991,412 2.05,413 0.882,414 1.618,415 0.963,416 3,417 1.591,418 0.618,419 0.618,421 1.372,422 0.6,423 1.591,424 0.744,425 2.971,426 1.244,427 0.249,428 0.311,430 0.521,431 0.245,432 1.28,433 0.466,434 2.46,435 0.908,436 -0.056,437 -0.067,439 -0.128,440 -0.053,441 1.02,442 0.118,443 2.361,444 0.637,445 -0.325,446 -0.396,448 -0.804,449 -0.308,450 0.724,451 -0.197,452 2.33,453 0.265,454 -0.711,455 -0.909,457 -1.422,458 -0.666,459 0.357,460 -0.382,461 2.074,462 0.136,463 -0.818,464 -0.989,466 -1.886,467 -0.773,468 11.367,469 0.494,470 0.575,471 0.025,472 25.25,473 1.098,474 10.5,475 0.457,476 14.75,477 0.641,478 21.338,479 0.928,480 25.233,481 0.549,482 17.154,483 0.746,484 4.678,485 0.203,486 6.419,487 0.279,488 0.191,490 0.334,493 0.784,494 1.383,495 0.721,496 0.99,497 0.548,498 1.013,499 0.742,500 1.139,501 0.707,502 0.895,503 0.475,504 0.912,505 0.874,506 0.999,507 0.868,508 0.926,509 0.741,510 0.96,511 1.298,512 0.877,513 0.98,514 0.904,515 1.27,516 0.903,517 0.988,518 1.277,519 1.186,520 1.296,521 1.098,522 1.296,523 1.212,524 0.918,525 1.033,526 0.955,527 1.344,528 0.965,529 0.826,530 0.866,531 0.932,532 0.922,533 0.894,534 0.88,535 1.117,536 0.926,537 1.023,538 0.941,539 1.326,540 1,541 4.5,542 0.098,543 2.889,544 2.354,545 1.103,546 0.834,547 0.399,548 0.28,549 0.177,550 0.175,551 5649,552 12751,553 2.041,554 50,555 6,556 10,559 1,561 6,564 1.655,565 1.89,566 3.299,567 -0.326,569 1,573 70.228,574 1.527,575 3.408,576 4.452,577 4.795,578 4.795,579 4.795,580 2.757,581 4.263,582 4.494,583 3.448,584 872.303,585 7.726,586 9928.1,588 1,590 1,591 254.084,592 1.478,593 4.443,594 0.18,595 0.008,596 0.083,597 0.069,598 0.034,599 0.03,600 0.019,601 0.015,602 0.01,603 0.011,604 0.459,605 0.17,606 1,607 1.029,608 108.009,609 0.001,610 -0.214,611 0.037,612 -0.058,613 -0.019,614 -0.014,615 0.195,616 -0.041,617 0.114,618 -0.001,619 0.113,620 0.048,621 0.059,622 0.019,623 0.048,624 0.026,625 0.091,626 0.017,627 -0.118,628 0.127,629 0.011,630 0.076,631 -0.001,632 0.067,633 -0.093,634 -0.261,635 -0.22,636 -0.272,637 -0.055,638 -0.29,639 -0.106,640 -0.004,641 -0.032,642 0.015,643 -0.083,644 0.004,645 0.073,646 0.084,647 0.095,648 0.083,649 0.025,650 0.108,651 0.074,652 0.076,653 -0.025,654 0.036,655 -0.093,656 -0.036,657 1.696,658 5.371,659 0.696,660 19.293,661 0.99,662 1.126,663 3.08,664 9.488,665 0.668,666 3.258,667 3.584,668 3.871,669 4.127,670 4.19,671 4.22,672 4.304,673 4.382,674 4.466,675 4.5,676 5.903,677 0.614,678 329.51,679 3.258,680 4.796,681 5.652,682 6.535,683 7.408,684 8.294,685 9.172,686 10.059,687 10.939,688 11.827,689 6.5,695 1,696 2,707 3,712 3,714 6,727 1,733 46,735 9,736 1,737 25,739 48,740 18,741 6,742 3,743 3,744 3,747 3,748 3,752 1,753 2,757 2,760 3,762 10,763 8,766 3,771 1,772 1,773 1,775 3,779 1,782 23,783 4,784 1,785 5,786 1,791 3,794 1,796 1,797 1,812 1,815 2,816 1,835 2,845 3,848 1,850 2,854 23,862 6,864 1,868 2,878 2.2,881 1,885 12.167,886 8.817,887 5.139,888 3.144,890 1.858,891 1.272,892 0.975,893 5.024,894 8.686,895 3.466,896 3.98,897 4.491,898 4.976,899 5.399,900 5.637,901 5.997,902 6.336,903 6.62,904 6.753,905 0.857,906 34,907 8.538,909 3.575,910 7.594,911 16.736,913 13.83,915 2.094,916 48.167,919 1,920 258.964,921 131.542,922 24.259,924 25.145,926 45.192,927 86.35,928 284.109,929 24.259,930 17.65,931 35.056,932 37.905,933 32.606,934 12.252,935 0.285,936 258.964,937 45.192,938 258.964,939 110.609,940 25.145,941 45.192,943 188.338,944 95.772,947 52.706,948 45.67,949 12.233,950 45.192,951 258.964,952 49.404,953 131.542,956 258.964,957 30.795,958 61.804,959 18.011,960 70.337,961 258.964,962 49.404,963 131.542,965 0.578,966 0.351,967 0.197,968 0.094,969 17,970 8,971 0.083,972 4,974 1,975 3.514,976 180.691,978 16,979 100.042,982 1,985 16.468,986 7.016,987 3.431,989 49.404,990 6.379,995 3.584,997 18.011,998 439.911,999 31,1004 12.371,1005 5.242,1006 1.894,1008 1.045,1011 45.545,1012 51.776,1013 0.276,1014 0.617,1015 0.806,1016 0.868,1017 0.868,1018 0.868,1019 4.723,1020 1.123,1021 5.645,1022 3.463,1023 4.263,1024 4.663,1025 2.299,1026 6.475,1027 4.181,1028 5.906,1029 0.908,1030 7.22,1031 2.227,1032 3.892,1033 4.494,1034 1.494,1035 7.409,1036 3.748,1037 7.21,1038 0.618,1039 8.897,1040 2.05,1041 5.872,1042 6.738,1043 2.946,1044 10.524,1045 5.704,1046 8.551,1047 0.249,1048 10.633,1049 1.372,1050 6.347,1051 7.376,1052 2.769,1053 12.288,1054 6.116,1055 9.924,1056 -0.056,1057 12.406,1058 0.521,1059 7.79,1060 9.125,1061 3.875,1062 14.906,1063 7.531,1064 11.32,1065 -0.325,1066 14.204,1067 -0.128,1068 8.638,1069 10.117,1070 4.049,1071 17.005,1072 8.319,1073 12.732,1074 -0.711,1075 16.02,1076 -0.804,1077 9.882,1078 11.671,1079 4.941,1080 19.45,1081 9.529,1082 3.15,1083 -0.818,1084 17.849,1085 -1.422,1086 10.891,1087 12.835,1088 5.306,1089 21.687,1090 10.482,1091 3.014,1092 10.558,1093 19.69,1094 -1.886,1095 12.061,1096 14.298,1097 6.074,1098 24.067,1099 11.613,1100 2.472,1101 9.988,1102 21.538,1103 3.978,1104 13.139,1105 15.55,1106 6.541,1107 26.362,1108 12.638,1109 2.105,1110 7.469,1111 23.393,1112 3.687,1113 14.282,1114 16.968,1115 7.238,1116 28.717,1117 13.739,1118 1.847,1119 6.269,1120 25.254,1121 3.033,1122 15.39,1123 18.269,1124 7.762,1125 31.038,1126 14.796,1127 1.644,1128 5.304,1129 27.118,1130 2.537,1131 16.524,1132 19.663,1133 8.418,1134 33.384,1135 15.886,1136 1.414,1137 4.545,1138 28.986,1139 2.258,1140 17.645,1141 20.991,1142 8.974,1143 35.716,1144 16.957,1145 5541,1146 8476,1147 16.414,1148 30.733,1149 37.428,1150 39.451,1151 38.97,1152 37.196,1153 37.089,1154 44.93,1155 7.807,1156 107.534,1157 35.605,1158 5.319,1159 6.039,1160 6.406,1161 5.139,1162 5.15,1163 6.978,1164 3.216,1165 17.526,1166 4.999,1167 11.923,1168 1.497,1169 1.578,1170 1.559,1171 1.488,1172 1.484,1173 1.797,1174 0.312,1175 4.301,1176 1.424,1177 4.018,1178 4.055,1179 4.042,1180 3.937,1181 7.428,1182 3.937,1183 3.842,1184 3.892,1185 3.899,1186 3.69,1187 4.86,1188 3.69,1189 3.714,1190 3.77,1191 3.609,1192 3.589,1193 4.727,1194 3.577,1195 3.507,1196 3.578,1197 3.401,1198 3.365,1199 4.28,1200 3.344,1201 3.198,1202 3.273,1203 3.321,1204 3.119,1205 4.107,1206 3.058,1207 3.039,1208 3.105,1209 2.981,1210 2.957,1211 4.067,1212 2.909,1213 2.869,1214 2.979,1215 2.845,1216 2.721,1217 3.86,1218 2.687,1219 2.859,1220 2.934,1221 2.596,1222 2.671,1223 3.539,1224 2.635,1225 0.177,1226 0.162,1227 0.266,1228 0.164,1229 0.126,1230 4.418,1231 0.159,1232 4.039,1233 0.073,1234 6.648,1235 0.422,1236 4.098,1237 0.12,1238 3.15,1239 3.978,1240 1.821,1241 10.558,1242 2.999,1243 1.95,1244 1.925,1245 2.049,1246 2.033,1247 1.213,1248 2.04,1249 1.66,1250 1.597,1251 1.918,1252 1.862,1253 1.211,1254 1.883,1255 1.577,1256 1.507,1257 1.86,1258 1.751,1259 1.172,1260 1.793,1261 1.518,1262 1.477,1263 1.673,1264 1.7,1265 0.931,1266 1.695,1267 1.333,1268 1.257,1269 1.607,1270 1.562,1271 0.717,1272 1.578,1273 1.254,1274 1.212,1275 1.455,1276 1.476,1277 0.568,1278 1.485,1279 1.173,1280 1.1,1281 1.407,1282 1.382,1283 0.504,1284 1.418,1285 0.816,1286 0.756,1287 1.058,1288 1.038,1289 0.142,1290 1.088,1291 3.932,1293 5.252,1294 3.045,1295 6.758,1296 5.352,1297 8.352,1298 7.391,1299 9.993,1301 4.172,1307 6.38,1309 3.035,1313 4.065,1318 28.234,1319 70.228,1320 156.761,1321 204.8,1322 220.574,1323 220.574,1324 220.574,1325 36.498,1326 6.828,1327 41.03,1328 73.12,1329 16,1330 12.359,1331 3.322,1332 2.807,1333 36.982,1334 82,1335 80,1336 0.226,1337 179.198,1338 316.44,1339 429.003,1340 7381,1342 16.397,1343 0.713,1344 0.634,1345 16.897,1346 14.579,1347 11.097,1348 0.444,1349 0.348,1350 8.251,1351 10.541,1352 7.963,1353 6.656,1354 11.385,1355 8.708,1356 9.885,1357 0.282,1358 0.188,1359 10.256,1360 6.572,1361 8.432,1362 0.179,1363 0.1,1364 8.764,1365 4.711,1366 7.186,1367 0.118,1368 0.058,1369 7.572,1370 3.53,1371 4.975,1372 0.077,1373 0.031,1374 5.293,1375 2.022,1376 0.354,1377 71.564,1378 0.247,1379 22.638,1380 0.618,1381 120,1382 300.219,1383 143.41,1384 317.312,1385 433.54,1386 296,1387 142,1388 310.599,1389 162.59,1390 324.043,1391 478.3,1392 305,1393 5.177}
{0 CHEMBL1319618,1 2.108,2 9.409,3 2.676,4 7.162,5 87.692,6 13.863,7 0.458,8 3.549,9 3.617,10 3.63,11 3.184,12 4.856,13 3.194,14 4.01,15 4.1,16 4.089,17 3.553,18 5.344,19 3.551,20 4.195,21 4.305,22 4.356,23 3.641,24 5.66,25 3.607,26 4.114,27 4.229,28 4.192,29 3.424,30 5.581,31 3.417,32 3.907,33 4.03,34 3.863,35 3.238,36 5.347,37 3.235,38 3.707,39 3.817,40 3.639,41 3.081,42 5.131,43 3.085,44 3.588,45 3.721,46 3.632,47 3.015,48 4.912,49 2.972,50 3.472,51 3.612,52 3.655,53 2.998,54 4.822,55 2.953,56 0.202,57 0.435,58 2.913,59 1.81,60 11.984,61 1.606,62 0.4,63 0.652,64 6.201,65 3.238,66 22.153,67 2.689,68 0.66,69 0.703,70 20.756,71 5.101,72 51.412,73 3.929,74 0.635,75 0.646,76 21.758,77 5.174,78 51.652,79 3.65,80 0.535,81 0.544,82 16.679,83 4,84 43.218,85 2.966,86 0.414,87 0.444,88 7.117,89 2.721,90 30.15,91 1.787,92 0.324,93 0.386,94 16.308,95 3.068,96 20.956,97 2.448,98 0.25,99 0.345,100 7.166,101 2.467,102 17.643,103 2.324,104 17,105 34,106 0.397,107 0.736,108 0.825,109 0.89,110 0.903,111 0.903,112 3.147,113 0.949,114 -5.34,115 -5.23,116 -4.89,117 1,119 44.8,125 1,137 2,141 4,142 1,143 1,152 1,156 1,159 2,164 2,171 4,173 3,174 2,182 6,185 3,186 6,194 5,198 3,199 10,207 1,212 3,213 6,225 1,226 5,239 8,251 6,259 1,264 4,271 2,274 594,275 14.637,276 14.637,277 14.637,278 14.637,279 14.637,280 12.691,281 11.241,282 8.462,283 15.122,284 11.78,285 11.78,286 11.78,287 11.78,288 11.78,289 8.876,290 11.894,291 3.985,292 12.759,293 2.75,294 0.952,295 0.483,296 0.138,297 0.069,298 0.069,299 3.822,302 2,305 1,306 1,307 441,308 2.236,311 58.811,312 147.347,319 1.463,320 27.356,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 48.417,332 207,333 4.413,334 3.811,335 6.518,336 4.021,337 3.078,338 4.073,339 1.081,340 10.048,341 2.909,342 4.369,343 3.2,344 6.461,345 3.949,346 3.004,347 3.819,348 0.473,349 9.917,350 2.799,351 3.901,352 2.998,353 5.635,354 3.454,355 2.523,356 3.449,358 7.535,359 2.327,360 3.489,361 2.789,362 5.349,363 3.071,364 2.18,365 2.637,367 6.537,368 1.851,369 3.168,370 2.356,371 4.839,372 2.737,373 1.795,374 2.35,376 5.141,377 1.648,378 3.043,379 2.077,380 4.479,381 2.541,382 1.607,383 2.094,385 4.241,386 1.472,387 2.86,388 1.823,389 3.861,390 2.34,391 1.414,392 2.012,394 3.089,395 1.204,396 2.548,397 1.578,398 3.58,399 2.055,400 1.076,401 1.559,403 2.704,404 1.047,405 2.181,406 1.243,407 3.279,408 1.676,409 0.691,410 1.023,412 1.68,413 0.677,414 1.898,415 1.023,416 3.116,417 1.3,418 0.351,419 0.475,421 0.852,422 0.302,423 1.522,424 0.697,425 2.78,426 0.98,427 0.259,428 0.307,430 0.571,431 0.149,432 1.099,433 0.301,434 2.518,435 0.616,436 -0.208,437 -0.258,439 -0.466,440 -0.119,441 0.685,442 -0.069,443 2.313,444 0.336,445 -0.57,446 -0.661,448 -1.545,449 -0.473,450 0.595,451 -0.261,452 2,453 0.132,454 -0.83,455 -1.128,457 -2.043,458 -0.738,459 0.025,460 -0.745,461 1.613,462 -0.275,463 -1.162,464 -1.336,466 -2.859,467 -0.81,468 11.529,469 0.524,470 0.613,471 0.028,472 29,473 1.318,474 14.5,475 0.659,476 14.5,477 0.659,478 17.682,479 0.804,480 22.071,481 0.761,482 18.65,483 0.848,484 5.763,485 0.262,486 4.796,487 0.218,488 0.268,490 0.338,493 0.686,494 1.074,495 0.46,496 0.662,497 0.577,498 0.677,499 0.797,500 1.193,501 0.587,502 0.686,503 0.693,504 0.747,505 0.941,506 0.924,507 0.983,508 0.918,509 0.88,510 0.917,511 1.069,512 1.085,513 1.279,514 1.345,515 1.157,516 1.21,517 1.229,518 1.092,519 1.039,520 0.977,521 1.012,522 0.953,523 1.187,524 1.125,525 0.64,526 0.903,527 0.996,528 1.01,529 0.627,530 1.157,531 1.355,532 1.372,533 0.59,534 1.213,535 0.721,536 0.893,537 0.866,538 0.77,539 0.816,540 0.698,541 4.5,542 0.107,543 3.111,544 1.847,545 1.152,546 0.619,547 0.375,548 0.271,549 0.204,550 0.151,551 4977,552 22608,553 2.043,554 24.1,556 6,558 1,564 1.642,565 1.886,566 3.211,567 -0.583,569 1,573 61.124,574 2.108,575 3.906,576 4.375,577 4.72,578 4.789,579 4.789,580 2.665,581 4.187,582 4.435,583 3.351,584 774.047,585 7.601,586 8528.21,588 1,590 1,591 140.881,592 1.495,593 4.376,594 0.188,595 0.01,596 0.092,597 0.054,598 0.041,599 0.026,600 0.019,601 0.016,602 0.012,603 0.009,604 0.466,605 0.33,606 1,607 0.65,608 101.373,609 -0.01,610 0.005,611 -0.002,612 -0.033,613 -0.041,614 -0.035,615 0.008,616 -0.132,617 0.004,618 0.052,619 -0.035,620 0.003,621 0.071,622 0.065,623 -0.024,624 0.044,625 0.096,626 0.02,627 0.032,628 -0.103,629 -0.114,630 -0.292,631 -0.019,632 -0.232,633 -0.133,634 -0.083,635 -0.105,636 0.002,637 -0.019,638 0.005,639 -0.147,640 -0.089,641 -0.07,642 -0.099,643 -0.084,644 -0.174,645 0.192,646 -0.153,647 -0.16,648 -0.341,649 0.106,650 -0.18,651 0.059,652 0.09,653 0.092,654 0.197,655 0.094,656 0.36,657 2.185,658 4.912,659 0.773,660 16.364,661 1.055,662 1.117,663 4.115,664 16.932,665 0.803,666 3.219,667 3.555,668 3.829,669 4.025,670 4.159,671 4.174,672 4.234,673 4.29,674 4.369,675 4.419,676 5.622,677 0.785,678 402.04,679 3.219,680 4.762,681 5.617,682 6.491,683 7.358,684 8.235,685 9.106,686 9.983,687 10.856,688 11.733,689 13.8,696 1,698 1,699 2,707 4,708 2,710 1,712 4,714 11,732 1,733 29,735 14,736 1,737 24,738 1,739 31,740 13,741 8,742 2,743 4,744 4,745 2,747 3,748 3,749 2,750 1,762 12,763 1,765 2,766 3,771 1,773 1,774 1,775 3,779 1,782 7,783 6,785 9,786 3,791 4,796 1,797 2,815 1,816 2,835 2,845 3,849 1,851 2,854 22,862 1,868 1,877 3,878 6.9,881 1,883 1,885 11.667,886 5.479,887 4.806,888 1.587,890 2.804,891 1.411,892 0.987,893 4.52,894 9.625,895 3.512,896 4.107,897 4.669,898 5.164,899 5.54,900 5.757,901 6.071,902 6.384,903 6.7,904 6.981,905 1,906 34,907 8.052,909 3.454,910 8.029,911 14.715,913 11.697,915 2.529,916 55.639,920 82.398,921 77.045,922 98.945,923 78.297,924 34.652,927 122.999,928 195.347,929 52.991,931 5.107,932 37.905,933 101.035,934 32.411,936 70.627,937 124.251,938 82.398,939 130.035,940 34.652,941 78.297,942 45.954,943 82.398,944 34.652,947 31.81,948 48.85,949 127.672,950 45.954,951 82.398,952 87.643,953 201.296,956 82.398,957 30.092,958 49.954,959 45.954,960 162.939,961 82.398,962 87.643,963 201.296,965 0.591,966 0.356,967 0.179,968 0.087,969 17,970 8,971 0.097,972 3,974 1,975 3.409,976 170.697,978 17,979 98.107,985 15.529,986 6.403,987 3.217,989 87.643,990 7.439,991 7.873,993 5.552,995 2.167,998 371.337,999 32.5,1004 11.912,1006 1.288,1007 3.884,1008 -0.514,1011 30.589,1012 32.387,1013 0.434,1014 0.804,1015 0.901,1016 0.972,1017 0.986,1018 0.986,1019 4.751,1020 1.076,1021 5.617,1022 3.089,1023 4.234,1024 4.792,1025 1.331,1026 6.435,1027 4.081,1028 5.974,1029 0.691,1030 7.192,1031 2.704,1032 3.892,1033 4.575,1035 7.349,1036 3.576,1037 7.289,1038 0.351,1039 8.867,1040 1.68,1041 5.844,1042 6.96,1043 1.343,1044 10.444,1045 5.574,1046 8.639,1047 0.259,1048 10.598,1049 0.852,1050 6.312,1051 7.565,1053 12.153,1054 5.894,1055 10.02,1056 -0.208,1057 12.365,1058 0.571,1059 7.744,1060 9.398,1061 1.438,1062 14.765,1063 7.355,1064 11.421,1065 -0.57,1066 14.155,1067 -0.466,1068 8.566,1069 10.385,1071 16.797,1072 8.057,1073 12.839,1074 -0.83,1075 15.961,1076 -1.545,1077 9.802,1078 11.983,1079 1.555,1080 19.233,1081 9.291,1082 3.078,1083 -1.162,1084 17.781,1085 -2.043,1086 10.783,1087 13.159,1089 21.408,1090 10.175,1091 3.004,1092 10.048,1093 19.61,1094 -2.859,1095 11.941,1096 14.646,1097 1.679,1098 23.77,1099 11.307,1100 2.523,1101 9.917,1102 21.446,1103 4.073,1104 12.993,1105 15.92,1107 26.011,1108 12.279,1109 2.18,1110 7.535,1111 23.288,1112 3.819,1113 14.121,1114 17.353,1115 1.807,1116 28.34,1117 13.366,1118 1.795,1119 6.537,1120 25.135,1121 3.449,1122 15.204,1123 18.677,1125 30.612,1126 14.38,1127 1.607,1128 5.141,1129 26.986,1130 2.637,1131 16.322,1132 20.086,1133 1.939,1134 32.927,1135 15.447,1136 1.414,1137 4.241,1138 28.84,1139 2.35,1140 17.42,1141 21.438,1143 35.213,1144 16.481,1145 4871,1146 10537,1147 15.72,1148 23.284,1149 36.991,1150 38.588,1151 37.569,1152 36.265,1153 35.954,1154 47.594,1155 3.107,1156 104.632,1157 32.77,1158 5.281,1159 5.811,1160 6.203,1161 5.059,1162 5.078,1163 7.073,1164 2.162,1165 17.206,1166 4.909,1167 11.58,1168 1.541,1169 1.608,1170 1.565,1171 1.511,1172 1.498,1173 1.983,1174 0.129,1175 4.36,1176 1.365,1177 3.988,1178 4.011,1179 6.88,1180 3.899,1181 7.428,1182 3.891,1183 3.834,1184 3.862,1185 4.099,1186 3.696,1187 5.257,1188 3.71,1189 3.657,1190 3.682,1191 3.886,1192 3.434,1193 4.999,1194 3.478,1195 3.102,1196 3.155,1197 3.607,1198 2.94,1199 4.697,1200 2.938,1201 2.945,1202 2.966,1203 3.372,1204 2.865,1205 4.495,1206 2.792,1207 2.871,1208 2.915,1209 3.277,1210 2.708,1211 4.373,1212 2.739,1213 2.76,1214 2.804,1215 2.772,1216 2.591,1217 3.937,1218 2.603,1219 2.508,1220 2.552,1221 2.755,1222 2.267,1223 3.783,1224 2.273,1225 0.184,1226 0.159,1227 0.272,1228 0.168,1229 0.128,1230 4.413,1231 0.17,1232 3.811,1233 0.045,1234 6.518,1235 0.419,1236 4.021,1237 0.121,1238 3.078,1239 4.073,1240 1.081,1241 10.048,1242 2.909,1243 1.892,1244 1.875,1245 1.965,1246 1.964,1247 1.087,1248 1.973,1249 1.719,1250 1.696,1251 1.758,1252 1.922,1253 0.915,1254 1.887,1255 1.364,1256 1.338,1257 1.477,1258 1.579,1259 0.636,1260 1.552,1261 1.136,1262 1.095,1263 1.235,1264 1.397,1265 0.285,1266 1.339,1267 0.873,1268 0.83,1269 1.07,1270 1.092,1271 0.178,1272 1.056,1273 0.805,1274 0.783,1275 0.92,1276 1.009,1278 1.041,1279 0.644,1280 0.584,1281 0.711,1282 0.966,1284 0.921,1285 0.515,1286 0.479,1287 0.64,1288 0.736,1290 0.745,1291 3.892,1293 5.22,1294 2.398,1295 6.742,1296 4.595,1297 8.349,1298 6.581,1299 9.998,1300 3.411,1302 11.519,1307 0.007,1313 1.103,1318 22.776,1319 61.124,1320 113.272,1321 126.881,1322 136.881,1323 138.881,1324 138.881,1325 38.185,1326 6.821,1327 73.81,1328 73.81,1329 17,1330 12.272,1331 3.907,1332 3.248,1333 34.595,1334 75,1335 62,1336 0.231,1337 153.621,1338 264.74,1339 366.595,1340 7695,1341 10.3,1342 15.69,1343 0.713,1344 0.633,1345 17.69,1346 13.931,1347 10.559,1348 0.44,1349 0.316,1350 6.043,1351 9.007,1352 5.845,1353 4.782,1354 11.713,1355 7.593,1356 9.633,1357 0.283,1358 0.173,1359 11.079,1360 5.89,1361 8.464,1362 0.188,1363 0.094,1364 10.219,1365 4.239,1366 6.473,1367 0.118,1368 0.045,1369 7.57,1370 2.472,1371 4.75,1372 0.075,1373 0.023,1374 5.508,1375 1.479,1376 0.361,1377 81.405,1378 0.252,1379 21.684,1380 0.636,1381 116,1382 445.113,1383 227.129,1384 519.92,1385 672.04,1386 480,1387 137,1388 425.644,1389 217.31,1390 454.641,1391 667.45,1392 426,1393 4.303}
{0 CHEMBL1319867,1 1.998,2 7.333,3 3.241,4 10.506,5 74.445,6 10.953,7 0.696,8 3.544,9 3.614,10 3.4,11 3.057,12 4.985,13 3.112,14 3.941,15 4.013,16 3.779,17 3.434,18 5.487,19 3.483,20 4.156,21 4.276,22 3.889,23 3.492,24 5.564,25 3.535,26 4.246,27 4.379,28 3.97,29 3.386,30 5.835,31 3.471,32 4.117,33 4.244,34 3.703,35 3.265,36 5.741,37 3.324,38 3.896,39 3.994,40 3.71,41 3.204,42 5.526,43 3.256,44 3.902,45 4.009,46 3.606,47 3.047,48 5.739,49 3.119,50 3.657,51 3.797,52 2.973,53 2.587,54 5.261,55 2.628,56 0.295,57 0.439,58 1.772,59 1.982,60 22.047,61 1.54,62 0.425,63 0.657,64 2.095,65 3.321,66 53.07,67 2.713,68 0.58,69 0.747,70 7.392,71 4.221,72 53.87,73 3.792,74 0.799,75 0.729,76 9.914,77 4.195,78 68.629,79 3.554,80 0.839,81 0.593,82 11.053,83 4.196,84 95.392,85 3.695,86 0.56,87 0.501,88 6.588,89 3.505,90 61.468,91 2.881,92 0.669,93 0.463,94 8.091,95 3.349,96 88.901,97 2.668,98 0.611,99 0.314,100 10.291,101 2.623,102 70.215,103 1.675,104 18,105 33,106 0.375,107 0.675,108 0.785,109 0.876,110 0.89,111 0.89,112 3.105,113 0.795,114 -3.48,115 -3.46,116 -3.31,119 42.9,141 5,143 5,145 2,164 4,171 3,173 2,179 3,182 3,185 1,186 3,189 1,190 1,191 4,194 1,198 4,199 6,202 3,204 3,207 1,212 4,213 2,216 2,218 1,221 2,226 7,229 1,234 2,239 9,242 3,244 1,247 2,251 7,254 2,259 1,264 2,274 539,275 13.983,276 13.983,277 13.983,278 13.983,279 13.983,280 11.672,281 14.385,282 8.134,283 14.293,284 11.334,285 11.334,286 11.334,287 11.334,288 11.334,289 7.96,290 20.9,291 3.81,292 11.91,293 2.81,294 1.213,295 0.629,296 0.143,297 0.071,298 0.071,299 3.778,302 1,305 1,306 1,307 329,308 2.739,311 44.087,312 110.562,315 78.551,319 0.984,320 32.916,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 48.333,332 154,333 4.717,334 3.84,335 6.934,336 4.233,337 3.273,338 4.684,339 2.612,340 11.665,341 3.133,342 4.177,343 3.241,344 6.124,345 3.764,346 2.806,347 3.795,348 0.4,349 8.852,350 2.685,351 4.019,352 3.009,353 5.986,354 3.474,355 2.533,356 3.639,358 8.276,359 2.373,360 3.556,361 2.494,362 5.284,363 3.069,364 2.132,365 2.974,367 6.384,368 1.972,369 3.292,370 2.34,371 4.636,372 2.65,373 1.718,374 2.584,376 4.446,377 1.558,378 2.887,379 1.664,380 4.152,381 2.399,382 1.414,383 2.059,385 3.632,386 1.391,387 2.831,388 1.481,389 3.741,390 2.372,391 1.4,392 1.958,394 2.974,395 1.353,396 2.602,397 1.215,398 3.594,399 2.094,400 1.104,401 1.644,403 2.588,404 1.091,405 2.186,406 1,407 3.438,408 1.648,409 0.744,410 1.051,412 1.939,413 0.639,414 1.563,415 0.949,416 3.086,417 1.166,418 0.218,419 0.28,421 0.547,422 0.206,423 1.268,424 0.505,425 2.736,426 0.812,427 -0.084,428 -0.111,430 -0.212,431 -0.067,432 1,433 0.365,434 2.396,435 0.418,436 -0.477,437 -0.582,439 -1.165,440 -0.39,441 0.831,442 -0.061,443 2,444 0.15,445 -0.821,446 -1.108,448 -2,449 -0.755,450 0.618,451 -0.594,452 1.862,454 -1,455 -1.498,457 -2.046,458 -0.935,459 0.318,460 -0.875,461 1.704,462 -0.144,463 -1.087,464 -1.718,466 -2.762,467 -1,468 9.648,469 0.459,470 0.597,471 0.028,472 32.25,473 1.536,474 18,475 0.857,476 14.25,477 0.679,478 12.096,479 0.576,480 22.152,481 0.791,482 23.099,483 1.1,484 6.562,485 0.312,486 3.513,487 0.167,488 0.178,490 0.404,493 0.558,494 0.888,495 0.498,496 0.609,497 0.647,498 0.632,499 0.626,500 1.346,501 0.57,502 1.043,503 0.477,504 0.945,505 0.79,506 1.251,507 0.888,508 1.147,509 0.718,510 1.07,511 0.895,512 0.937,513 0.822,514 0.979,515 0.958,516 0.936,517 1.031,518 0.704,519 0.948,520 0.82,521 1.365,522 0.892,523 0.916,524 1.072,525 0.893,526 1.145,527 0.959,528 0.997,529 1.06,530 1.072,531 1.142,532 1.152,533 1.012,534 1.083,535 1.837,536 0.81,537 2.105,538 1.114,539 1.867,540 1.323,541 4,543 2.667,544 1.743,545 1.533,546 0.879,547 0.555,548 0.25,549 0.126,550 0.007,551 3822,552 16804,553 2.045,554 25,556 5,559 2,564 1.639,565 1.881,566 2.865,567 0.519,569 1,571 1,573 55.935,574 1.998,575 3.594,576 4.178,577 4.664,578 4.736,579 4.736,580 2.149,581 4.107,582 4.368,583 2.988,584 627.406,585 7.519,586 6526.76,587 1,588 1,589 1,590 1,591 134.606,592 1.51,593 4.305,594 0.174,596 0.081,597 0.051,598 0.046,599 0.033,600 0.022,601 0.011,602 0.011,603 0.003,604 0.433,605 0.5,606 1,607 0.874,608 92.349,609 0.156,610 0.255,611 -0.007,612 0.246,613 -0.061,614 0.102,615 0.055,616 -0.261,617 0.012,618 -0.151,619 0.161,620 -0.139,621 -0.027,622 -0.227,623 0.007,624 -0.21,625 -0.038,626 -0.122,627 0.086,628 0.054,629 0.159,630 -0.052,631 -0.002,632 0.024,633 0.069,634 0.19,635 0.041,636 0.179,637 -0.111,638 0.16,639 0.042,640 -0.154,641 0.179,642 -0.125,643 0.045,645 0.06,646 -0.189,647 0.012,648 -0.14,649 0.255,650 -0.081,651 -0.524,652 -0.004,653 -0.659,654 -0.053,655 -0.471,656 -0.237,657 2.62,658 4.271,659 0.714,660 13.016,661 1.065,662 1.129,663 2.254,664 5.078,665 0.722,666 3.178,667 3.526,668 3.829,669 4.127,670 4.304,671 4.394,672 4.419,673 4.466,674 4.431,675 4.317,676 4.633,677 0.744,678 306.68,679 3.178,680 4.727,681 5.595,682 6.494,683 7.382,684 8.287,685 9.183,686 10.091,687 10.989,688 11.899,689 14.3,697 1,699 2,700 1,706 2,707 5,708 2,710 1,712 5,714 16,725 1,726 1,729 1,732 1,733 28,735 18,736 2,737 23,739 30,740 12,741 12,742 7,743 5,747 3,748 4,749 1,762 12,766 2,768 1,771 2,779 1,782 7,783 7,784 2,785 9,786 1,791 4,796 0.667,797 4,815 1,816 2,819 1,845 2,851 1,854 21,861 1,864 1,877 1,878 14.3,880 1,883 1,884 2,885 11.167,886 5.11,887 4.583,888 1.473,890 3.343,891 1.493,892 0.956,893 3.467,894 10.123,895 3.526,896 4.216,897 4.841,898 5.499,899 6.007,900 6.369,901 6.718,902 7.098,903 7.306,904 7.544,905 0.8,906 34,907 7.688,909 3.416,910 8.347,911 13.644,913 10.963,915 2.847,916 59.778,920 58.856,921 63.44,922 62.874,923 39.149,924 103.391,927 63.44,928 201.395,929 62.874,930 5.67,932 47.381,933 81.877,934 44.031,936 58.856,937 89.896,938 58.856,939 126.314,940 103.391,941 39.149,943 58.856,944 52.644,945 50.747,947 22.299,948 59.152,949 84.012,951 58.856,952 166.265,953 102.589,956 58.856,957 16.059,958 53.051,959 18.011,960 181.733,961 58.856,962 166.265,963 102.589,965 0.589,966 0.354,967 0.2,968 0.104,969 17,970 8,971 0.1,972 3,973 1,974 1.133,975 3.203,976 167.662,977 0.133,978 15,979 90.239,985 13.761,986 5.291,987 2.423,988 0.039,989 160.595,990 7.654,991 7.038,993 4.499,995 0.136,997 60.694,998 327.71,999 33,1001 -0.62,1004 22.541,1011 29.807,1012 31.605,1013 0.416,1014 0.748,1015 0.869,1016 0.97,1017 0.985,1018 0.985,1019 4.754,1020 1.104,1021 5.602,1022 2.974,1023 4.205,1024 4.902,1025 2.527,1026 6.463,1027 4.105,1028 6.006,1029 0.744,1030 7.195,1031 2.588,1032 3.892,1033 4.89,1034 2.361,1035 7.483,1036 3.704,1037 7.347,1038 0.218,1039 8.893,1040 1.939,1041 5.838,1042 7.235,1043 4.155,1044 10.622,1045 5.649,1046 8.729,1047 -0.084,1048 10.651,1049 0.547,1050 6.347,1051 8.055,1052 4.506,1053 12.48,1054 6.077,1055 10.142,1056 -0.477,1057 12.449,1058 -0.212,1059 7.789,1060 9.885,1061 5.948,1062 15.148,1063 7.512,1064 11.578,1065 -0.821,1066 14.273,1067 -1.165,1068 8.663,1069 11.083,1070 6.556,1071 17.346,1072 8.318,1073 13.032,1074 -1,1075 16.116,1076 -2,1077 9.919,1078 12.722,1079 7.794,1080 19.864,1081 9.556,1082 3.273,1083 -1.087,1084 17.974,1085 -2.046,1086 10.956,1087 14.097,1088 8.548,1089 22.207,1090 10.535,1091 2.806,1092 11.665,1093 19.843,1094 -2.762,1095 12.147,1096 15.664,1097 9.67,1098 24.676,1099 11.698,1100 2.533,1101 8.852,1102 21.721,1103 4.684,1104 13.257,1105 17.124,1106 10.509,1107 27.081,1108 12.757,1109 2.132,1110 8.276,1111 23.607,1112 3.795,1113 14.429,1114 18.667,1115 11.563,1116 29.537,1117 13.894,1118 1.718,1119 6.384,1120 25.498,1121 3.639,1122 15.572,1123 20.167,1124 12.452,1125 31.97,1126 14.99,1127 1.414,1128 4.446,1129 27.396,1130 2.974,1131 16.741,1132 21.703,1133 13.468,1134 34.423,1135 16.12,1136 1.4,1137 3.632,1138 29.298,1139 2.584,1140 17.901,1141 23.224,1142 14.386,1143 36.868,1144 17.235,1145 3785,1146 8099,1147 15.027,1148 20.222,1149 34.965,1150 36.258,1151 36.561,1152 34.87,1153 34.686,1154 49.334,1155 6.025,1156 102.608,1157 32.8,1158 5.493,1159 5.84,1160 6.622,1161 5.258,1162 5.273,1163 7.684,1164 4.612,1165 19.2,1166 5.133,1167 10.779,1168 1.52,1169 1.576,1170 1.59,1171 1.516,1172 1.508,1173 2.145,1174 0.262,1175 4.461,1176 1.426,1177 4.113,1178 4.135,1179 4.168,1180 3.967,1181 7.815,1182 3.99,1183 3.882,1184 3.907,1185 3.833,1186 3.795,1187 6.999,1188 3.798,1189 3.57,1190 3.587,1191 3.662,1192 3.115,1193 6.469,1194 3.21,1195 3.299,1196 3.34,1197 3.437,1198 3.031,1199 5.397,1200 3.078,1201 2.977,1202 3.018,1203 3.12,1204 2.759,1205 4.782,1206 2.786,1207 2.923,1208 2.967,1209 2.824,1210 2.744,1211 4.651,1212 2.745,1213 2.636,1214 2.667,1215 2.682,1216 2.408,1217 4.235,1218 2.459,1219 2.294,1220 2.356,1221 2.265,1222 1.823,1223 3.727,1224 1.929,1225 0.205,1226 0.167,1227 0.301,1228 0.184,1229 0.142,1230 4.717,1231 0.204,1232 3.84,1233 0.114,1234 6.934,1235 0.507,1236 4.233,1237 0.136,1238 3.273,1239 4.684,1240 2.612,1241 11.665,1242 3.133,1243 1.95,1244 1.93,1245 2.009,1246 2.103,1247 1.137,1248 2.062,1249 1.836,1250 1.815,1251 1.9,1252 1.953,1253 1.018,1254 1.941,1255 1.226,1256 1.209,1257 1.225,1258 1.659,1259 0.275,1260 1.549,1261 1.047,1262 0.99,1263 1.21,1264 1.431,1265 0.156,1266 1.285,1267 0.883,1268 0.84,1269 1.136,1270 1.271,1271 0.131,1272 1.231,1273 0.828,1274 0.805,1275 0.949,1276 1.143,1278 1.131,1279 0.755,1280 0.714,1281 0.81,1282 0.954,1284 0.965,1285 0.353,1286 0.317,1287 0.678,1288 0.744,1290 0.742,1291 3.85,1293 5.187,1294 2.398,1295 6.725,1296 4.595,1297 8.364,1298 6.629,1299 10.059,1302 5.999,1306 9.732,1309 2.759,1318 20.826,1319 55.935,1320 100.632,1321 116.996,1322 130.606,1323 132.606,1324 132.606,1325 43.462,1326 6.78,1327 117,1328 117,1329 17,1330 12.417,1331 4.248,1332 3.459,1333 31.901,1334 57,1335 55,1336 0.278,1337 131.774,1338 219.63,1339 313.289,1340 6836,1341 3.6,1342 14.983,1343 0.713,1344 0.525,1345 15.483,1346 11.034,1347 10.075,1348 0.438,1349 0.265,1350 5.621,1351 9.154,1352 5.545,1353 4.572,1354 10.364,1355 6.096,1356 9.311,1357 0.282,1358 0.137,1359 9.681,1360 4.522,1361 7.733,1362 0.172,1363 0.069,1364 8.065,1365 3.109,1366 6.785,1367 0.111,1368 0.035,1369 7.143,1370 2.129,1371 5.103,1372 0.07,1373 0.018,1374 5.401,1375 1.331,1376 0.415,1377 68.42,1378 0.258,1379 20.202,1380 0.834,1381 112,1382 464.828,1383 144.229,1384 470.589,1385 616.25,1386 430,1387 134,1388 445.285,1389 164.301,1390 444.673,1391 641.34,1392 415,1393 4.735}
{0 CHEMBL1320566,1 1.254,2 8.737,3 3.548,4 12.585,5 81.18,6 6.927,7 0.762,8 3.663,9 3.792,10 3.189,11 3.275,12 4.715,13 3.227,14 4.149,15 4.332,16 3.506,17 3.658,18 5.112,19 3.589,20 4.329,21 4.522,22 3.454,23 3.768,24 5.264,25 3.646,26 4.407,27 4.667,28 3.204,29 3.666,30 5.206,31 3.49,32 4.211,33 4.492,34 3.055,35 3.445,36 4.961,37 3.283,38 3.98,39 4.2,40 3.01,41 3.345,42 4.875,43 3.213,44 4.035,45 4.301,46 2.949,47 3.289,48 4.844,49 3.141,50 3.897,51 4.163,52 2.824,53 3.146,54 4.697,55 3.002,56 0.041,57 0.497,58 7.741,59 3.22,60 7.882,61 4.518,62 0.093,63 0.8,64 13.334,65 5.237,66 11.576,67 7.445,68 0.082,69 0.919,70 15.991,71 6.884,72 16.355,73 9.713,74 0.099,75 0.954,76 18.273,77 7.683,78 19.1,79 10.995,80 0.086,81 0.775,82 15.258,83 6.308,84 13.849,85 9.083,86 0.073,87 0.647,88 11.535,89 4.656,90 12.404,91 6.647,92 0.075,93 0.663,94 12.646,95 5.09,96 13.324,97 7.341,98 0.099,99 0.589,100 11.044,101 4.311,102 10.759,103 6.219,104 5,105 29,106 0.226,107 0.585,108 0.761,109 0.833,110 0.843,111 0.843,112 3.01,113 0.935,114 -3.94,115 -3.9,116 -3.7,119 47.2,120 1,124 1,134 2,141 5,142 4,144 2,149 1,150 1,171 11,179 3,182 13,184 2,191 3,194 11,197 1,204 2,207 8,210 1,218 2,221 7,223 1,231 2,234 6,236 1,247 6,249 1,258 1,259 4,261 1,273 2,274 411,275 12.878,276 12.878,277 12.878,278 12.878,279 12.878,280 10.814,281 5.588,282 7.595,283 13.048,284 10.364,285 10.364,286 10.364,287 10.364,288 10.364,289 7.299,290 3.971,291 3.642,292 10.623,293 3.916,294 1.919,295 0.941,296 0.542,297 0.486,298 0.486,299 3.691,304 1,305 1,306 1,307 361,308 2.236,311 38.853,312 105.934,315 72.472,319 1.252,320 4.3,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 39,332 166,333 4.556,334 3.1,335 6.544,336 4.076,337 3.088,338 4.513,340 10.345,341 3.051,342 4.037,343 2.653,344 5.423,345 3.591,346 2.617,347 3.652,349 7.177,350 2.557,351 3.665,352 2.426,353 5.153,354 3.26,355 2.268,356 3.098,358 6.208,359 2.252,360 3.492,361 2.186,362 4.951,363 3.049,364 2.102,365 2.836,367 5.751,368 1.983,369 3.302,370 1.911,371 4.878,372 2.86,373 1.884,374 2.623,376 5.593,377 1.833,378 2.765,379 1.277,380 4.131,381 2.249,382 1.267,383 1.863,385 3.442,386 1.243,387 2.5,388 1,389 3.414,390 1.984,391 1,392 1.5,394 2.275,395 0.983,396 2.469,397 0.904,398 3.329,399 1.846,400 0.88,401 1.33,403 2.02,404 0.848,405 2.047,406 0.551,407 3.099,408 1.493,409 0.512,410 0.76,412 1.214,413 0.502,414 1.19,415 0.013,416 2.378,417 0.85,418 -0.127,419 -0.158,421 -0.282,422 -0.123,423 0.99,424 -0.196,425 2.36,426 0.587,427 -0.395,428 -0.518,430 -0.907,431 -0.387,432 0.633,433 -0.793,434 2,435 0.158,436 -0.835,437 -1.074,439 -2.445,440 -0.827,441 0.5,442 -0.909,443 2,444 -0.027,445 -1,446 -1.35,448 -2.767,449 -0.946,450 0.238,451 -1,452 1.869,453 -0.049,454 -1,455 -1.5,457 -3,458 -0.969,460 -1.152,461 1.627,462 -0.328,463 -1.289,464 -1.715,466 -3.048,467 -1.229,468 9.3,469 0.489,470 0.452,471 0.024,472 26.25,473 1.382,474 14.5,475 0.763,476 11.75,477 0.618,478 11.848,479 0.624,480 19.2,481 0.533,482 16.277,483 0.857,484 5.402,485 0.284,486 3.819,487 0.201,488 0.108,490 0.312,493 1.099,494 1.192,495 0.862,496 0.972,497 1.083,498 0.915,499 1.408,500 0.907,501 0.905,502 0.807,503 0.804,504 0.82,505 0.922,506 1.163,507 1.147,508 1.198,509 1.076,510 1.19,511 0.788,512 1.034,513 1.06,514 1.101,515 1.166,516 1.099,517 0.693,518 0.852,519 0.824,520 0.863,521 0.678,522 0.854,523 1.218,524 1.115,525 1.164,526 1.13,527 1.239,528 1.141,529 0.884,530 0.998,531 0.898,532 0.948,533 0.982,534 0.929,535 0.963,536 0.886,537 0.943,538 0.912,539 0.854,540 0.923,541 4,542 0.054,543 2.222,544 0.854,545 0.876,546 0.427,547 0.212,548 0.188,549 0.145,550 0.097,551 3528,552 7120,553 2.113,554 47.2,555 3,556 10,557 1,558 2,559 1,564 1.598,565 2,566 3.126,567 -0.404,569 1,571 1,573 45.144,574 1.254,575 3.251,576 4.229,577 4.628,578 4.684,579 4.684,580 2.505,581 3.932,582 4.222,583 3.238,584 553.685,585 7.164,586 5487.53,587 1,588 1,590 1,591 186.117,592 1.324,593 4.189,594 0.19,595 0.013,596 0.077,597 0.033,598 0.046,599 0.025,600 0.013,601 0.013,602 0.011,603 0.011,604 0.432,605 1,606 1,607 0.565,608 83.068,609 0.032,610 -0.102,611 0.059,612 -0.012,613 -0.122,614 0.018,615 -0.144,616 0.17,617 0.049,618 0.144,619 0.091,620 0.116,621 -0.117,622 -0.172,623 -0.219,624 -0.217,625 -0.136,626 -0.223,627 -0.037,628 -0.104,629 -0.098,630 -0.113,631 -0.175,632 -0.11,633 0.086,634 0.068,635 0.158,636 0.13,637 0.236,638 0.145,639 -0.173,640 -0.11,641 -0.209,642 -0.169,643 -0.214,644 -0.187,645 0.062,646 -0.045,647 0.083,648 0.027,649 0.035,650 0.051,651 0.192,652 0.1,653 0.05,654 0.046,655 0.117,656 0.04,657 0.482,658 0.805,659 0.789,660 12.626,661 0.981,662 1.114,663 2.713,664 7.36,665 0.687,666 3.091,667 3.401,668 3.638,669 3.871,670 4.078,671 4.025,672 4.043,673 4.174,674 4.094,675 4.111,676 5.194,677 0.639,678 249.36,679 3.091,680 4.615,681 5.451,682 6.315,683 7.171,684 8.038,685 8.902,686 9.771,687 10.639,688 11.511,689 5.6,697 1,699 1,706 2,707 8,709 1,712 3,713 1,714 16,733 36,735 17,736 1,737 21,739 38,740 17,741 13,742 3,743 3,744 2,747 3,748 4,753 1,762 15,763 2,766 1,773 2,779 1,782 17,784 1,785 2,791 2,792 1,796 0.667,809 1,811 1,815 1,816 2,819 1,835 2,845 2,850 2,854 19,885 9.5,886 7.083,887 4.139,888 2.132,890 3.703,891 1.562,892 1.028,893 3.117,894 10.297,895 3.434,896 4.09,897 4.726,898 5.344,899 5.887,900 6.168,901 6.531,902 6.995,903 7.189,904 7.572,905 0.833,906 26,907 6.978,909 2.867,910 7.439,911 13.698,913 11.114,915 1.939,916 36.833,917 0.002,920 188.338,921 124.971,922 18.685,927 124.971,928 188.338,929 18.685,930 17.222,932 75.381,933 25.441,934 47.01,935 13.915,936 153.024,938 188.338,939 143.656,943 188.338,947 43.706,948 79.099,949 20.852,951 188.338,952 18.685,953 124.971,956 188.338,957 14.274,958 112.597,959 16.786,961 188.338,962 18.685,963 124.971,965 0.583,966 0.33,967 0.171,968 0.099,969 15,970 6,971 0.053,972 2,973 1,974 1.133,975 3.251,976 136.997,977 0.133,978 15,979 76.711,985 12.031,986 4.923,987 2.55,988 2.461,990 16.86,992 3.305,995 3.723,996 2.034,997 16.786,998 331.994,999 30,1006 4.304,1011 35.331,1012 40.111,1013 0.243,1014 0.629,1015 0.818,1016 0.895,1017 0.906,1018 0.906,1019 4.635,1020 0.88,1021 5.425,1022 2.275,1023 4.078,1024 4.775,1026 6.192,1027 4.034,1028 5.864,1029 0.512,1030 6.956,1031 2.02,1032 3.611,1033 4.559,1035 7.002,1036 3.549,1037 7.171,1038 -0.127,1039 8.581,1040 1.214,1041 5.631,1042 7.058,1044 10.067,1045 5.554,1046 8.517,1047 -0.395,1048 10.264,1049 -0.282,1050 5.969,1051 7.7,1053 11.749,1054 5.879,1055 9.893,1056 -0.835,1057 11.984,1058 -0.907,1059 7.458,1060 9.632,1062 14.333,1063 7.355,1064 11.293,1065 -1,1066 13.733,1067 -2.445,1068 8.185,1069 10.704,1071 16.4,1072 8.073,1073 12.711,1074 -1,1075 15.505,1076 -2.767,1077 9.451,1078 12.389,1080 18.823,1081 9.327,1082 3.088,1083 -1.289,1084 17.295,1085 -3,1086 10.376,1087 13.682,1089 21.052,1090 10.243,1091 2.617,1092 10.345,1093 19.101,1094 -3.048,1095 11.548,1096 15.26,1098 23.419,1099 11.404,1100 2.268,1101 7.177,1102 20.92,1103 4.513,1104 12.573,1105 16.663,1107 25.714,1108 12.419,1109 2.102,1110 6.208,1111 22.75,1112 3.652,1113 13.708,1114 18.194,1116 28.061,1117 13.544,1118 1.884,1119 5.751,1120 24.589,1121 3.098,1122 14.781,1123 19.65,1125 30.38,1126 14.607,1127 1.267,1128 5.593,1129 26.435,1130 2.836,1131 15.904,1132 21.164,1134 32.72,1135 15.719,1136 1,1137 3.442,1138 28.287,1139 2.623,1140 17.002,1141 22.645,1143 35.05,1144 16.806,1145 3409,1146 4919,1147 14.216,1148 24.722,1149 31.95,1150 31.092,1151 32.127,1152 31.249,1153 31.237,1154 44.352,1156 88.047,1157 30.503,1158 5.171,1159 5.1,1160 5.958,1161 5.111,1162 5.088,1163 7.513,1165 17.011,1166 5.051,1167 7.658,1168 1.521,1169 1.481,1170 1.53,1171 1.488,1172 1.487,1173 2.112,1175 4.193,1176 1.453,1177 4.138,1178 4.17,1179 4.096,1180 4.063,1181 4.984,1182 4.068,1183 3.944,1184 3.993,1185 3.88,1186 3.828,1187 4.801,1188 3.834,1189 3.544,1190 3.597,1191 3.444,1192 3.441,1193 4.368,1194 3.436,1195 3.344,1196 3.417,1197 3.221,1198 3.171,1199 4.179,1200 3.174,1201 3.065,1202 3.145,1203 2.896,1204 2.915,1205 3.813,1206 2.9,1207 2.899,1208 3.001,1209 2.687,1210 2.735,1211 3.674,1212 2.715,1213 2.854,1214 2.925,1215 2.673,1216 2.725,1217 3.654,1218 2.7,1219 2.777,1220 2.862,1221 2.564,1222 2.583,1223 3.51,1224 2.566,1225 0.217,1226 0.148,1227 0.312,1228 0.194,1229 0.147,1230 4.556,1231 0.215,1232 3.1,1234 6.544,1235 0.493,1236 4.076,1237 0.145,1238 3.088,1239 4.513,1241 10.345,1242 3.051,1243 1.972,1244 1.949,1245 2.069,1246 2.072,1247 1.211,1248 2.071,1249 1.906,1250 1.867,1251 2.025,1252 2.025,1253 1.111,1254 2.03,1255 1.589,1256 1.54,1257 1.742,1258 1.76,1259 0.814,1260 1.758,1261 1.324,1262 1.25,1263 1.586,1264 1.547,1265 0.649,1266 1.567,1267 1.205,1268 1.131,1269 1.513,1270 1.402,1271 0.597,1272 1.444,1273 0.936,1274 0.844,1275 1.275,1276 1.178,1277 0.304,1278 1.222,1279 0.886,1280 0.821,1281 1.181,1282 1.062,1283 0.218,1284 1.107,1285 0.827,1286 0.756,1287 1.103,1288 1.013,1289 0.167,1290 1.049,1291 3.761,1293 5.069,1294 2.398,1295 6.564,1296 4.727,1297 8.143,1298 6.823,1299 9.767,1301 4.146,1318 22.994,1319 45.144,1320 117.024,1321 152.243,1322 166.608,1323 168.608,1324 168.608,1325 17.918,1326 6.594,1327 19.67,1328 19.67,1329 17,1330 12.054,1331 4.17,1332 3.322,1333 27.981,1334 59,1335 59,1336 0.235,1337 143.293,1338 235.08,1339 341.395,1340 5876,1342 13.242,1343 0.697,1344 0.593,1345 13.242,1346 11.274,1347 9.22,1348 0.439,1349 0.312,1350 6.493,1351 9.04,1352 6.241,1353 5.276,1354 9.22,1355 6.547,1356 8.383,1357 0.289,1358 0.174,1359 8.383,1360 5.037,1361 6.905,1362 0.187,1363 0.092,1364 6.905,1365 3.402,1366 5.492,1367 0.117,1368 0.048,1369 5.492,1370 2.258,1371 4.617,1372 0.08,1373 0.028,1374 4.617,1375 1.605,1376 0.367,1377 56.473,1378 0.265,1379 19.154,1380 0.642,1381 100,1382 208.666,1383 103.469,1384 216.164,1385 309.62,1386 204,1387 116,1388 239.944,1389 120.163,1390 251.237,1391 361.43,1392 236,1393 4.588}
{0 CHEMBL1322893,1 1.782,2 8.619,3 2.241,4 5.022,5 81.965,6 9.293,7 0.696,8 3.609,9 3.712,10 3.417,11 3.214,12 4.903,13 3.197,14 4.044,15 4.175,16 3.772,17 3.543,18 5.231,19 3.524,20 4.131,21 4.281,22 3.789,23 3.566,24 5.414,25 3.544,26 4.216,27 4.376,28 3.837,29 3.626,30 5.568,31 3.555,32 4.188,33 4.375,34 3.634,35 3.567,36 5.308,37 3.447,38 4.018,39 4.236,40 3.367,41 3.353,42 5.11,43 3.212,44 3.803,45 4.019,46 3.102,47 3.084,48 4.93,49 3.007,50 3.615,51 3.784,52 3.029,53 2.946,54 4.93,55 2.944,56 0.088,57 0.527,58 4.396,59 2.566,60 9.294,61 2.567,62 0.221,63 0.801,64 10.608,65 4.296,66 14.586,67 4.317,68 0.209,69 0.872,70 9.675,71 4.354,72 18.086,73 4.569,74 0.323,75 0.947,76 11.671,77 5.129,78 36.88,79 5.197,80 0.268,81 0.876,82 18.091,83 6.381,84 28.079,85 6.191,86 0.236,87 0.739,88 13.997,89 5.086,90 21.307,91 5.813,92 0.191,93 0.576,94 13.62,95 4.315,96 16.493,97 4.781,98 0.17,99 0.479,100 5.053,101 2.139,102 15.34,103 2.26,104 14,105 32,106 0.326,107 0.743,108 0.82,109 0.866,110 0.877,111 0.877,112 3.104,113 0.907,114 -3.09,115 -3.09,116 -2.97,119 43.8,124 1,141 4,142 2,143 1,144 1,145 1,149 1,151 1,156 1,160 1,161 1,162 1,163 1,164 1,171 4,173 1,174 8,176 1,177 1,179 1,182 4,184 1,185 1,186 4,188 1,189 1,194 3,198 3,199 5,201 2,202 2,204 1,207 2,210 1,213 4,221 2,225 2,226 4,231 1,234 2,236 1,238 1,239 3,244 1,247 1,249 1,251 3,253 1,254 1,256 2,259 2,261 2,264 1,269 1,271 1,273 1,274 491,275 14.516,276 14.516,277 14.516,278 14.516,279 14.516,280 12.53,281 13.37,282 8.423,283 15.047,284 11.192,285 11.192,286 11.192,287 11.192,288 11.192,289 8.118,290 11.972,291 3.764,292 12.001,293 3.218,294 0.946,295 0.524,296 0.274,297 0.211,298 0.211,299 3.78,304 1,305 1,306 1,307 385,308 2.345,311 110.175,312 68.903,319 1.388,320 18.454,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 45.5,332 181,333 4.534,334 4.073,335 6.655,336 4.088,337 3.157,338 4.259,339 2.035,340 10.635,341 2.958,342 4.35,343 3.233,344 6.486,345 3.945,346 2.977,347 4.004,348 0.86,349 10.091,350 2.872,351 3.903,352 3.092,353 5.715,354 3.372,355 2.462,356 3.422,358 7.621,359 2.227,360 3.493,361 2.567,362 5.186,363 2.944,364 1.994,365 2.658,367 6.061,368 1.887,369 3.108,370 2.171,371 4.484,372 2.464,373 1.507,374 2.089,376 4.031,377 1.437,378 2.917,379 1.681,380 3.97,381 2.345,382 1.414,383 2.031,385 3.182,386 1.3,387 2.678,388 1.444,389 3.765,390 2.098,391 1.161,392 1.595,394 2.825,395 1.084,396 2.564,397 1.245,398 3.58,399 1.909,400 0.96,401 1.452,403 2.453,404 0.902,405 2.335,406 0.961,407 3.269,408 1.502,409 0.687,410 1.027,412 1.649,413 0.548,414 2.156,415 0.928,416 2.824,417 1.339,418 0.463,419 0.715,421 0.722,422 0.4,423 1.638,424 0.675,425 2.714,426 1.291,427 0.372,428 0.519,430 0.594,431 0.341,432 0.887,433 0.114,434 2.343,435 0.463,436 -0.456,437 -0.6,439 -0.899,440 -0.417,441 0.771,442 -0.242,443 2.116,444 0.353,445 -0.573,446 -0.736,448 -1.158,449 -0.521,450 0.569,451 -0.759,452 2,453 0.102,454 -0.875,455 -1.213,457 -2.063,458 -0.843,459 0.168,460 -0.819,461 2,462 -0.292,463 -1.235,464 -1.61,466 -3.495,467 -1.129,468 10.167,469 0.484,470 0.431,471 0.021,472 31.75,473 1.512,474 18,475 0.857,476 13.75,477 0.655,478 13.001,479 0.619,480 21.033,481 0.657,482 20.598,483 0.981,484 6.257,485 0.298,486 3.984,487 0.19,488 0.128,490 0.334,493 0.902,494 1.039,495 0.681,496 0.819,497 0.728,498 0.76,499 1.108,500 1.059,501 0.836,502 0.934,503 0.64,504 0.754,505 1.043,506 1.17,507 0.751,508 0.93,509 0.655,510 0.899,511 1.02,512 0.965,513 1.002,514 0.997,515 0.873,516 1.04,517 1.127,518 1.061,519 1.501,520 1.332,521 0.983,522 1.123,523 0.604,524 0.986,525 1.22,526 1.192,527 0.659,528 1.159,529 0.787,530 1.102,531 1.295,532 1.243,533 0.659,534 0.957,535 1.334,536 0.953,537 0.778,538 0.771,539 1.127,540 0.99,541 3.5,542 0.037,543 2.889,544 1.694,545 0.967,546 0.619,547 0.336,548 0.241,549 0.18,550 0.09,551 4159,552 13820,553 2.074,554 34.4,556 7,557 1,558 1,559 2,564 1.632,565 1.938,566 3.095,567 0.425,569 1,571 1,573 57.034,574 1.782,575 4.054,576 4.476,577 4.726,578 4.789,579 4.789,580 2.553,581 3.975,582 4.364,583 3.231,584 678.495,585 7.479,586 7097.79,587 1,588 1,590 1,591 160,592 1.418,593 4.322,594 0.152,595 0.007,596 0.09,597 0.053,598 0.032,599 0.026,600 0.019,601 0.014,602 0.011,603 0.008,604 0.413,605 0.67,606 1,607 0.933,608 94.18,609 -0.058,610 0.016,611 0.045,612 0.049,613 -0.084,614 0.034,615 -0.043,616 -0.043,617 0.079,618 0.034,619 -0.063,620 0.117,621 -0.044,622 -0.15,623 0.058,624 -0.06,625 0.088,626 -0.047,627 0.066,628 0.071,629 -0.014,630 -0.015,631 0.114,632 -0.152,633 -0.183,634 -0.071,635 -0.185,636 -0.115,637 -0.159,638 -0.082,639 0.132,640 -0.029,641 -0.04,642 -0.08,643 0.072,644 -0.085,645 0.111,646 -0.159,647 -0.089,648 -0.125,649 0.186,650 0.123,651 -0.175,652 0.041,653 -0.213,654 -0.093,655 -0.114,656 -0.186,657 1.376,658 2.913,659 0.762,660 15.351,661 1.018,662 1.121,663 1.863,664 3.471,665 0.732,666 3.178,667 3.497,668 3.829,669 4.078,670 4.159,671 4.248,672 4.344,673 4.394,674 4.454,675 4.419,676 5.19,677 0.706,678 297.37,679 3.178,680 4.71,681 5.58,682 6.463,683 7.348,684 8.238,685 9.127,686 10.019,687 10.911,688 11.804,689 15.6,693 1,697 1,698 1,699 2,707 6,708 2,711 1,712 6,713 1,714 16,716 1,724 1,730 1,733 32,735 17,736 1,737 23,739 34,740 14,741 12,742 2,743 4,747 3,748 3,761 1,762 12,763 1,778 1,779 1,782 11,783 5,784 2,785 7,786 1,791 5,796 1,797 1,807 1,815 2,816 1,845 3,848 1,850 1,854 21,855 1,865 1,870 1,872 1,874 1,876 1,878 3.1,883 1,885 10.833,886 6.217,887 4.806,888 1.662,890 3.204,891 1.474,892 1.001,893 3.695,894 9.969,895 3.526,896 4.127,897 4.796,898 5.397,899 5.761,900 6.153,901 6.544,902 6.901,903 7.297,904 7.577,905 0.833,906 32,907 7.648,909 3.199,910 7.873,911 14.273,913 11.319,915 2.373,916 49.833,920 105.94,921 130.564,922 99.182,924 11,926 31.278,927 99.286,928 116.94,929 99.182,930 10.883,932 78.451,933 61.821,934 70.083,935 11.771,936 113.675,938 105.94,939 198.468,940 11,941 31.278,943 105.94,944 11,947 47.469,948 117.551,949 33.449,950 31.278,951 105.94,952 110.182,953 130.564,956 105.94,957 48.478,958 67.261,959 16.602,960 108.405,961 105.94,962 110.182,963 130.564,965 0.573,966 0.366,967 0.202,968 0.093,969 16,970 7,971 0.088,972 3,974 1,975 3.307,976 162.504,978 16,979 90.239,981 1,985 13.748,986 5.645,987 2.419,989 108.405,990 10.975,991 8.61,994 1.399,995 3.66,996 1.46,997 32.897,998 346.685,999 33,1011 32.564,1012 35.867,1013 0.356,1014 0.811,1015 0.895,1016 0.945,1017 0.958,1018 0.958,1019 4.754,1020 0.96,1021 5.565,1022 2.825,1023 4.174,1024 4.812,1025 2.376,1026 6.409,1027 4.044,1028 5.984,1029 0.687,1030 7.148,1031 2.453,1032 3.761,1033 4.559,1035 7.398,1036 3.592,1037 7.302,1038 0.463,1039 8.834,1040 1.649,1041 5.796,1042 7.054,1043 3.594,1044 10.509,1045 5.557,1046 8.662,1047 0.372,1048 10.582,1049 0.722,1050 6.275,1051 7.719,1053 12.325,1054 5.983,1055 10.055,1056 -0.456,1057 12.368,1058 0.594,1059 7.734,1060 9.586,1061 4.968,1062 14.94,1063 7.392,1064 11.471,1065 -0.573,1066 14.179,1067 -0.899,1068 8.587,1069 10.656,1071 17.064,1072 8.188,1073 12.906,1074 -0.875,1075 16.008,1076 -1.158,1077 9.837,1078 12.272,1079 6.379,1080 19.514,1081 9.39,1082 3.157,1083 -1.235,1084 17.849,1085 -2.063,1086 10.848,1087 13.529,1089 21.763,1090 10.343,1091 2.977,1092 10.635,1093 19.698,1094 -3.495,1095 12.02,1096 15.038,1097 7.797,1098 24.152,1099 11.466,1100 2.462,1101 10.091,1102 21.555,1103 4.259,1104 13.099,1105 16.384,1107 26.455,1108 12.486,1109 1.994,1110 7.621,1111 23.417,1112 4.004,1113 14.243,1114 17.848,1115 9.217,1116 28.819,1117 13.578,1118 1.507,1119 6.061,1120 25.282,1121 3.422,1122 15.35,1123 19.236,1125 31.146,1126 14.628,1127 1.414,1128 4.031,1129 27.152,1130 2.658,1131 16.485,1132 20.681,1133 10.638,1134 33.501,1135 15.708,1136 1.161,1137 3.182,1138 29.023,1139 2.089,1140 17.606,1141 22.091,1143 35.839,1144 16.77,1145 4115,1146 7630,1147 15.315,1148 23.415,1149 35.785,1150 37.19,1151 36.215,1152 34.218,1153 34.308,1154 47.543,1155 5.789,1156 99.729,1157 31.912,1158 5.229,1159 6.073,1160 6.347,1161 5.218,1162 5.157,1163 7.259,1164 4.069,1165 17.81,1166 4.958,1167 9.831,1168 1.556,1169 1.617,1170 1.575,1171 1.488,1172 1.492,1173 2.067,1174 0.252,1175 4.336,1176 1.387,1177 4.036,1178 4.074,1179 4.263,1180 3.961,1181 6.82,1182 3.94,1183 3.888,1184 3.923,1185 3.851,1186 3.762,1187 5.172,1188 3.776,1189 3.595,1190 3.617,1191 3.764,1192 3.57,1193 4.919,1194 3.518,1195 3.249,1196 3.315,1197 3.064,1198 2.97,1199 4.725,1200 2.979,1201 3.065,1202 3.14,1203 3.053,1204 2.824,1205 4.522,1206 2.866,1207 2.845,1208 2.987,1209 2.828,1210 2.706,1211 4.371,1212 2.682,1213 2.803,1214 2.872,1215 2.645,1216 2.607,1217 3.607,1218 2.574,1219 2.709,1220 2.759,1221 2.571,1222 2.455,1223 3.441,1224 2.483,1225 0.197,1226 0.177,1227 0.289,1228 0.178,1229 0.137,1230 4.534,1231 0.185,1232 4.073,1233 0.088,1234 6.655,1235 0.462,1236 4.088,1237 0.129,1238 3.157,1239 4.259,1240 2.035,1241 10.635,1242 2.958,1243 1.9,1244 1.881,1245 1.998,1246 1.989,1247 1.097,1248 1.992,1249 1.597,1250 1.563,1251 1.649,1252 1.791,1253 0.696,1254 1.752,1255 1.408,1256 1.374,1257 1.573,1258 1.634,1259 0.574,1260 1.6,1261 1.31,1262 1.276,1263 1.439,1264 1.514,1265 0.558,1266 1.533,1267 1.196,1268 1.123,1269 1.369,1270 1.402,1271 0.416,1272 1.427,1273 0.888,1274 0.832,1275 1.108,1276 1.163,1277 0.168,1278 1.172,1279 0.81,1280 0.739,1281 1.024,1282 1.001,1283 0.035,1284 1.043,1285 0.735,1286 0.651,1287 0.872,1288 0.986,1290 0.982,1291 3.85,1293 5.165,1294 3.045,1295 6.681,1296 5.352,1297 8.284,1298 7.402,1299 9.931,1301 1.622,1305 5.87,1310 5.334,1316 8.913,1317 1.991,1318 22.589,1319 57.034,1320 129.735,1321 143.245,1322 151.245,1323 153.245,1324 153.245,1325 28.237,1326 6.765,1327 89.75,1328 117.99,1329 16,1330 12.331,1331 4.17,1332 3.459,1333 32.178,1334 67,1335 63,1336 0.25,1337 145.635,1338 239.52,1339 347.11,1340 6845,1342 14.82,1343 0.706,1344 0.57,1345 15.173,1346 11.963,1347 10.241,1348 0.445,1349 0.302,1350 6.038,1351 9.359,1352 5.805,1353 4.851,1354 10.695,1355 6.951,1356 8.719,1357 0.272,1358 0.157,1359 9.269,1360 5.019,1361 8.031,1362 0.178,1363 0.084,1364 8.72,1365 3.799,1366 6.717,1367 0.116,1368 0.047,1369 7.536,1370 2.731,1371 4.602,1372 0.073,1373 0.026,1374 5.268,1375 1.639,1376 0.383,1377 69.143,1378 0.256,1379 20.603,1380 0.708,1381 110,1382 358.489,1383 144.627,1384 372.657,1385 511.46,1386 348,1387 132,1388 368.534,1389 165.248,1390 389.309,1391 566.98,1392 363,1393 4.224}
{0 CHEMBL1323536,1 1.723,2 12.212,3 4.699,4 22.082,5 130.781,6 10.066,7 0.639,8 4.058,9 4.13,10 3.996,11 3.749,12 5.227,13 3.701,14 4.541,15 4.641,16 4.347,17 4.114,18 5.899,19 4.055,20 4.778,21 4.917,22 4.421,23 4.209,24 6.009,25 4.121,26 4.846,27 4.996,28 4.335,29 4.121,30 6.313,31 4.061,32 4.764,33 4.896,34 4.31,35 4.095,36 6.189,37 4.052,38 4.8,39 4.941,40 4.378,41 4.107,42 6.189,43 4.07,44 4.744,45 4.885,46 4.336,47 4.148,48 6.007,49 4.069,50 4.804,51 4.964,52 4.26,53 4.164,54 6.104,55 4.084,56 0.1,57 0.658,58 6.871,59 4.875,60 16.555,61 4.908,62 0.292,63 1.054,64 10.876,65 7.709,66 47.018,67 8.124,68 0.355,69 1.341,70 32.393,71 11.943,72 45.899,73 11.945,74 0.861,75 1.442,76 35.985,77 12.077,78 140.345,79 11.111,80 0.745,81 1.302,82 24.958,83 10.855,84 87.841,85 10.364,86 0.642,87 1.333,88 24.872,89 10.618,90 97.82,91 9.653,92 0.457,93 1.278,94 26.869,95 10.859,96 61.049,97 10.479,98 0.517,99 1.373,100 29.817,101 11.734,102 72.479,103 12.149,104 17,105 50,106 0.281,107 0.552,108 0.719,109 0.851,110 0.866,111 0.866,112 3.532,113 1.021,114 -4.34,115 -4.27,116 -4.03,117 1,119 48.1,125 1,134 1,137 1,141 13,142 2,143 2,144 2,150 2,156 1,171 11,173 1,174 6,177 1,179 1,182 13,186 10,191 2,194 10,198 2,199 7,202 3,204 1,207 8,212 3,213 8,216 1,218 3,221 7,225 1,226 11,231 3,234 7,239 10,244 2,247 9,250 2,251 10,256 2,259 12,263 1,264 10,269 2,271 15,274 2322,275 22.186,276 22.186,277 22.186,278 22.186,279 22.186,280 18.891,281 12.943,282 13.235,283 22.724,284 17.774,285 17.774,286 17.774,287 17.774,288 17.774,289 12.809,290 13.24,291 6.318,292 18.718,293 3.977,294 2.31,295 1.286,296 0.476,297 0.385,298 0.385,299 4.224,306 1,307 867,308 4.243,311 106.123,312 387.185,319 1.747,320 45.627,323 0.75,324 0.83,325 0.83,326 0.3,328 0.83,329 1,330 0.65,331 70.75,332 403,333 4.996,334 5.364,335 7.72,336 4.415,337 3.544,338 4.862,339 2.95,340 13.884,341 3.07,342 4.312,343 3.577,344 6.19,345 3.924,346 2.929,347 3.987,348 1.081,349 9.248,350 2.906,351 3.973,352 2.988,353 5.974,354 3.567,355 2.588,356 3.497,357 0.473,358 7.994,359 2.52,360 3.894,361 2.874,362 5.35,363 3.466,364 2.49,365 3.445,367 6.986,368 2.429,369 3.784,370 2.767,371 5.291,372 3.325,373 2.366,374 3.251,376 6.686,377 2.272,378 3.494,379 2.701,380 5.003,381 3.038,382 2.11,383 2.892,385 5.944,386 1.919,387 3.45,388 2.259,389 4.85,390 2.941,391 1.952,392 2.733,394 5.079,395 1.846,396 2.938,397 1.764,398 4.222,399 2.47,400 1.512,401 2.102,403 3.78,404 1.443,405 2.835,406 1.646,407 3.931,408 2.325,409 1.352,410 1.921,412 3.187,413 1.273,414 2.692,415 1.401,416 3.615,417 2.18,418 1.203,419 1.759,421 2.845,422 1.16,423 2.5,424 1.065,425 3.479,426 2,427 1,428 1.5,430 2.275,431 1,432 2.5,433 1,434 3.414,435 2,436 1,437 1.5,439 2.235,440 1,441 2.5,442 1,443 3.273,444 1.956,445 1,446 1.5,448 2.136,449 0.954,450 2.412,451 1,452 3.247,453 1.807,454 0.836,455 1.212,457 2.136,458 0.803,459 2.17,460 0.933,461 3.247,462 1.675,463 0.684,464 0.997,466 1.667,467 0.675,468 16.8,469 0.509,470 0.827,471 0.025,472 48.25,473 1.462,474 28,475 0.848,476 20.25,477 0.614,478 25.274,479 0.766,480 33,481 0.635,482 39.485,483 1.197,484 9.534,485 0.289,486 6.397,487 0.194,488 0.139,489 0.05,490 0.238,493 0.571,494 1.064,495 0.538,496 0.93,497 0.627,498 0.796,499 0.748,500 1.037,501 0.629,502 0.877,503 0.634,504 0.918,505 1.03,506 1.215,507 1.023,508 1.221,509 0.93,510 1.076,511 1.417,512 0.934,513 0.879,514 1.001,515 1.497,516 0.95,517 1.261,518 1.027,519 0.518,520 0.937,521 1.394,522 0.885,523 1.642,524 0.962,525 0.598,526 0.834,527 1.88,528 0.876,529 1.354,530 1.012,531 0.854,532 0.982,533 1.255,534 0.966,535 1.116,536 0.984,537 0.667,538 0.949,539 1.117,540 0.952,541 7,542 0.205,543 4.222,544 2.347,545 1.832,546 1.261,547 0.778,548 0.719,549 0.453,550 0.214,551 15191,552 49281,553 2.072,554 36.5,556 16,558 2,559 1,564 1.759,565 1.951,566 3.533,567 -0.352,573 89.616,574 1.723,575 3.391,576 4.415,577 5.224,578 5.316,579 5.316,580 2.995,581 4.415,582 5.011,583 3.712,584 1960.06,585 8.816,586 29436.1,591 296.423,592 1.455,593 4.975,594 0.194,595 0.006,596 0.084,597 0.047,598 0.038,599 0.025,600 0.016,601 0.015,602 0.009,603 0.005,604 0.44,605 0.17,606 0.88,607 0.522,608 174.472,609 0.043,610 -0.042,611 0.038,612 -0.031,613 -0.124,614 0.029,615 0.093,616 -0.028,617 0.007,618 -0.018,619 0.131,620 -0.079,621 -0.062,622 -0.225,623 -0.068,624 -0.176,625 -0.018,626 -0.112,627 0.019,628 0.109,629 -0.082,630 -0.01,631 0.075,632 -0.023,633 0.126,634 -0.015,635 -0.008,636 0.003,637 0.042,638 0.017,639 -0.204,640 0.037,641 0.013,642 0.05,643 -0.222,644 0.011,645 -0.204,646 -0.025,647 -0.049,648 -0.004,649 -0.13,650 -0.031,651 -0.054,652 0.008,653 -0.033,654 -0.006,655 0.006,656 0.007,657 5.013,658 6.315,659 0.697,660 37.207,661 1.015,662 1.103,663 3.11,664 9.671,665 0.744,666 3.611,667 3.932,668 4.174,669 4.382,670 4.554,671 4.543,672 4.663,673 4.779,674 4.844,675 4.852,676 7.204,677 0.709,678 523.43,679 3.611,680 5.153,681 5.994,682 6.866,683 7.726,684 8.604,685 9.474,686 10.355,687 11.231,688 12.116,689 3.8,696 1,699 1,707 15,708 1,710 1,712 6,714 23,732 1,733 52,735 27,736 2,737 36,738 1,739 55,740 25,741 21,742 3,743 9,744 3,747 4,748 4,762 24,763 1,766 4,769 1,771 3,773 1,775 2,781 1,782 19,783 6,784 1,785 8,786 2,791 2,796 1,797 4,809 1,815 1,816 3,829 1,835 2,845 4,848 1,849 1,854 33,857 1,862 1,864 1,877 1,878 7.7,881 3,883 1,885 16.917,886 9.26,887 7.222,888 2.87,890 3.531,891 1.474,892 1.014,893 7.118,894 10.976,895 3.961,896 4.582,897 5.139,898 5.65,899 6.115,900 6.29,901 6.692,902 7.066,903 7.385,904 7.67,905 1,906 50,907 12.584,909 5.783,910 7.939,911 22.853,913 18.723,915 2.439,916 80.5,920 211.88,921 187.044,922 80.75,924 78.965,926 6.046,927 226.952,928 290.845,929 34.796,931 20.116,932 138.713,933 116.041,934 38.579,935 10.898,936 188.338,937 45.954,938 211.88,939 215.794,940 78.965,941 6.046,942 45.954,943 211.88,944 78.965,947 38.211,948 149.77,949 33.858,950 45.954,951 211.88,952 113.762,953 232.998,955 6.046,956 211.88,957 30.236,958 150.762,959 63.965,960 95.751,961 211.88,962 113.762,963 232.998,965 0.582,966 0.336,967 0.174,968 0.093,969 23,970 10,971 0.127,972 7,974 1,975 4.367,976 303.067,978 23,979 156.465,984 1,985 23.03,986 10.199,987 5.62,989 113.762,990 25.455,991 4.006,993 5.838,995 3.33,997 18.011,998 558.639,999 51.5,1002 -4.097,1004 39.66,1006 1.253,1008 -1.14,1011 52.771,1012 57.333,1013 0.302,1014 0.595,1015 0.774,1016 0.916,1017 0.933,1018 0.933,1019 5.18,1020 1.512,1021 5.994,1022 5.079,1023 4.615,1024 5.27,1025 3.053,1026 6.828,1027 4.515,1028 6.416,1029 1.352,1030 7.575,1031 3.78,1032 4.29,1033 5.182,1035 8.032,1036 4.025,1037 7.751,1038 1.203,1039 9.28,1040 3.187,1041 6.263,1042 7.553,1043 5.045,1044 11.122,1045 6.023,1046 9.133,1047 1,1048 11.069,1049 2.845,1050 6.815,1051 8.35,1053 13.268,1054 6.374,1055 10.557,1056 1,1057 12.919,1058 2.275,1059 8.281,1060 10.194,1061 7.187,1062 15.998,1063 7.835,1064 12.013,1065 1,1066 14.813,1067 2.235,1068 9.223,1069 11.4,1071 18.471,1072 8.568,1073 13.494,1074 0.836,1075 16.742,1076 2.136,1077 10.521,1078 13.056,1079 9.348,1080 21.123,1081 9.811,1082 3.544,1083 0.684,1084 18.697,1085 2.136,1086 11.638,1087 14.458,1089 23.701,1090 10.73,1091 2.929,1092 13.884,1093 20.672,1094 1.667,1095 12.889,1096 16.049,1097 11.511,1098 26.336,1099 11.883,1100 2.588,1101 9.248,1102 22.663,1103 4.862,1104 14.084,1105 17.544,1107 28.949,1108 12.893,1109 2.49,1110 7.994,1111 24.666,1112 3.987,1113 15.328,1114 19.116,1115 13.675,1116 31.58,1117 14.01,1118 2.366,1119 6.986,1120 26.679,1121 3.497,1122 16.557,1123 20.654,1125 34.204,1126 15.065,1127 2.11,1128 6.686,1129 28.698,1130 3.445,1131 17.804,1132 22.224,1133 15.838,1134 36.835,1135 16.17,1136 1.952,1137 5.944,1138 30.723,1139 3.251,1140 19.049,1141 23.783,1143 39.463,1144 17.249,1145 14453,1146 26229,1147 24.038,1148 38.682,1149 54.624,1150 56.103,1151 54.698,1152 54.229,1153 53.837,1154 75.266,1155 9.007,1156 153.829,1157 51.242,1158 5.913,1159 7.364,1160 7.522,1161 5.54,1162 5.544,1163 7.862,1164 5.9,1165 22.138,1166 5.07,1167 14.786,1168 1.517,1169 1.558,1170 1.519,1171 1.506,1172 1.495,1173 2.091,1174 0.25,1175 4.273,1176 1.423,1177 4.126,1178 4.101,1179 6.88,1180 4.134,1181 7.715,1182 4.044,1183 3.977,1184 3.978,1185 4.752,1186 3.921,1187 7.428,1188 3.906,1189 3.881,1190 3.923,1191 3.937,1192 3.777,1193 6.999,1194 3.78,1195 3.767,1196 3.786,1197 3.817,1198 3.697,1199 5.076,1200 3.689,1201 3.638,1202 3.638,1203 3.691,1204 3.558,1205 4.897,1206 3.524,1207 3.388,1208 3.419,1209 3.586,1210 3.17,1211 4.715,1212 3.17,1213 3.056,1214 3.079,1215 3.39,1216 2.967,1217 4.678,1218 2.934,1219 2.868,1220 2.925,1221 2.956,1222 2.825,1223 4.121,1224 2.784,1225 0.139,1226 0.149,1227 0.214,1228 0.123,1229 0.098,1230 4.996,1231 0.135,1232 5.364,1233 0.082,1234 7.72,1235 0.386,1236 4.415,1237 0.085,1238 3.544,1239 4.862,1240 2.95,1241 13.884,1242 3.07,1243 1.988,1244 2.011,1245 2,1246 2.04,1247 1.214,1248 2.079,1249 1.902,1250 1.885,1251 1.977,1252 1.981,1253 1.103,1254 1.985,1255 1.852,1256 1.814,1257 1.975,1258 1.964,1259 1.08,1260 1.978,1261 1.694,1262 1.683,1263 1.741,1264 1.807,1265 0.882,1266 1.813,1267 1.42,1268 1.401,1269 1.553,1270 1.563,1271 0.65,1272 1.564,1273 1.267,1274 1.252,1275 1.437,1276 1.486,1277 0.594,1278 1.509,1279 1.226,1280 1.214,1281 1.181,1282 1.424,1283 0.367,1284 1.405,1285 0.918,1286 0.898,1287 1.181,1288 1.132,1289 0.218,1290 1.123,1291 4.29,1293 5.609,1294 2.398,1295 7.12,1296 4.595,1297 8.714,1298 6.581,1299 10.353,1300 3.392,1307 0.136,1309 2.667,1318 36.855,1319 89.616,1320 176.317,1321 229.562,1322 271.668,1323 276.423,1324 276.423,1325 75.382,1326 7.445,1327 89.27,1328 97.65,1329 23,1330 12.651,1331 4.807,1332 4.044,1333 53.993,1334 132,1335 169,1336 0.183,1337 235.568,1338 408.65,1339 566.545,1340 16577,1341 1.9,1342 23.261,1343 0.705,1344 0.597,1345 24.511,1346 19.714,1347 15.931,1348 0.443,1349 0.34,1350 10.053,1351 14.141,1352 9.671,1353 8.014,1354 17.297,1355 12.257,1356 14.516,1357 0.29,1358 0.198,1359 16.633,1360 9.912,1361 11.951,1362 0.187,1363 0.111,1364 13.878,1365 7.075,1366 9.467,1367 0.12,1368 0.06,1369 11.069,1370 4.714,1371 7.382,1372 0.079,1373 0.034,1374 8.816,1375 3.221,1376 0.286,1377 115.19,1378 0.204,1379 30.648,1380 0.509,1381 172,1382 552.435,1383 291.042,1384 592.401,1385 788.13,1386 546,1387 200,1388 518.198,1389 290.251,1390 574.375,1391 834.74,1392 539,1393 4.303}
{0 CHEMBL1324305,1 1.945,2 7.762,3 3.897,4 15.186,5 84.172,6 10.119,7 0.696,8 3.616,9 3.725,10 3.444,11 3.195,12 4.868,13 3.182,14 4.088,15 4.246,16 3.882,17 3.533,18 5.338,19 3.54,20 4.227,21 4.388,22 4.009,23 3.654,24 5.552,25 3.625,26 4.3,27 4.474,28 3.91,29 3.673,30 5.54,31 3.594,32 4.241,33 4.43,34 3.927,35 3.634,36 5.466,37 3.538,38 4.105,39 4.291,40 3.864,41 3.503,42 5.383,43 3.418,44 4.041,45 4.233,46 3.572,47 3.334,48 5.439,49 3.225,50 3.748,51 3.923,52 2.857,53 3.059,54 4.985,55 2.849,56 0.125,57 0.602,58 4.183,59 2.708,60 6.756,61 2.771,62 0.26,63 0.926,64 8.898,65 4.001,66 13.698,67 4.437,68 0.433,69 1.025,70 10.848,71 4.703,72 29.033,73 4.447,74 0.471,75 1,76 15.282,77 5.773,78 35.908,79 5.956,80 0.426,81 0.918,82 20.682,83 6.274,84 33.305,85 6.722,86 0.358,87 0.866,88 15.978,89 4.692,90 27.178,91 3.809,92 0.429,93 0.838,94 14.315,95 4.817,96 43.914,97 4.702,98 0.262,99 0.576,100 15.821,101 5.07,102 27.263,103 4.87,104 26,105 34,106 0.361,107 0.733,108 0.803,109 0.826,110 0.826,111 0.826,112 3.105,113 0.901,114 -5.29,115 -5.18,116 -4.84,119 40.6,120 1,124 1,141 4,143 3,145 1,150 1,159 1,160 1,164 2,171 2,173 2,174 3,182 2,185 2,186 5,194 3,198 3,199 6,212 1,213 9,226 5,234 2,239 2,247 4,259 2,274 534,275 13.776,276 13.776,277 13.776,278 13.776,279 13.776,280 11.671,281 11.512,282 7.761,283 14.257,284 11.263,285 11.263,286 11.263,287 11.263,288 11.263,289 8.227,290 7.044,291 3.637,292 12.179,293 3.055,294 1.047,295 0.672,296 0.547,297 0.547,298 0.547,299 3.773,302 1,304 1,305 1,306 1,307 345,308 2.121,311 109.587,312 61.124,319 1.202,320 23.415,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 46.333,332 163,333 4.664,334 3.893,335 6.974,336 4.23,337 3.304,338 4.423,340 11.796,341 3.05,342 4.353,343 3.419,344 6.514,345 3.899,346 2.977,347 4.035,349 9.986,350 2.736,351 3.885,352 2.959,353 5.698,354 3.416,355 2.466,356 3.464,358 7.28,359 2.331,360 3.445,361 2.751,362 5.212,363 3.057,364 2.128,365 2.729,367 6.297,368 1.964,369 3.283,370 2.332,371 4.871,372 2.825,373 1.912,374 2.559,376 5.378,377 1.725,378 2.977,379 2.148,380 4.82,381 2.526,382 1.649,383 2.125,385 4.709,386 1.392,387 2.564,388 1.486,389 4.315,390 2.066,391 1.152,392 1.59,394 3.375,395 1.039,396 2.5,397 1,398 3.748,399 2,400 1,401 1.5,403 2.338,404 1,405 2.36,406 0.994,407 3.414,408 1.844,409 0.894,410 1.296,412 2.275,413 0.844,414 1.271,415 0.972,416 2.828,417 0.97,418 0.15,419 0.161,421 0.33,422 0.105,423 1.131,424 0.427,425 2.452,426 0.757,427 -0.132,428 -0.16,430 -0.294,431 -0.112,432 0.681,433 0.218,434 2.373,435 0.322,436 -0.558,437 -0.662,439 -1.363,440 -0.47,441 0.5,442 -0.469,443 2,444 0.006,445 -0.851,446 -1.027,448 -2.166,449 -0.679,450 0.409,451 -0.744,452 2,454 -1,455 -1.462,457 -3,458 -1,459 0.042,460 -0.87,461 1.912,462 -0.375,463 -1.241,464 -1.5,466 -3.058,467 -1.004,468 10.333,469 0.492,470 0.686,471 0.033,472 28.5,473 1.357,474 14.5,475 0.69,476 14,477 0.667,478 16.069,479 0.765,480 22.067,481 0.69,482 19.474,483 0.927,484 5.754,485 0.274,486 4.232,487 0.202,488 0.274,490 0.416,492 1,493 0.586,494 1.094,495 0.654,496 0.947,497 0.569,498 0.858,499 0.728,500 1.139,501 0.486,502 0.76,503 0.55,504 0.663,505 1.117,506 0.987,507 0.817,508 0.755,509 1.021,510 0.789,511 0.969,512 0.931,513 1.122,514 1.015,515 0.927,516 1.143,517 0.675,518 0.843,519 1.188,520 1.064,521 0.542,522 0.913,523 1.194,524 0.946,525 1.053,526 0.877,527 0.879,528 0.855,529 1.173,530 0.942,531 1.303,532 1.119,533 1.046,534 1.234,535 1.047,536 1.205,537 2.056,538 2.107,539 1.299,540 1.917,541 4.5,543 3.333,544 2.264,545 1.327,546 0.834,547 0.75,548 0.287,549 0.129,550 0.096,551 3787,552 14510,553 2.018,554 34.4,556 7,559 1,560 3,564 1.638,565 1.826,566 2.954,567 -0.151,569 1,571 1,573 62.231,574 1.945,575 3.953,576 4.328,577 4.453,578 4.453,579 4.453,580 2.439,581 3.975,582 4.364,583 3.059,584 642.295,585 7.509,586 6578.2,588 1,589 1,590 1,591 160,592 1.545,593 4.289,594 0.196,596 0.098,597 0.067,598 0.044,599 0.028,600 0.03,601 0.016,602 0.014,603 0.019,604 0.512,605 0.33,606 1,607 0.702,608 92.495,609 0.029,610 -0.114,611 -0.059,612 -0.131,613 -0.067,614 -0.074,615 0.016,616 -0.203,617 0.171,618 0.024,619 0.07,620 0.176,621 -0.124,622 0.061,623 0.012,624 0.098,625 -0.077,626 0.039,627 -0.074,628 -0.017,629 -0.166,630 -0.132,631 -0.13,632 -0.24,633 0.065,634 -0.045,636 0.003,637 0.033,638 0.102,639 -0.333,640 0.023,641 -0.022,642 0.157,643 -0.147,644 0.032,645 -0.044,646 0.062,647 -0.198,648 -0.134,649 0.119,650 -0.269,651 -0.072,652 -0.198,653 -0.727,654 -0.788,655 -0.19,656 -0.806,657 1.985,658 5.076,659 0.762,660 13.592,661 1.03,662 1.136,663 4.059,664 16.479,665 0.735,666 3.178,667 3.555,668 3.871,669 4.143,670 4.304,671 4.369,672 4.477,673 4.489,674 4.382,675 4.248,676 4.71,677 0.707,678 323.81,679 3.178,680 4.745,681 5.624,682 6.529,683 7.43,684 8.341,685 9.248,686 10.162,687 11.073,688 11.988,689 15.6,697 2,699 3,707 4,708 3,712 7,713 2,714 16,732 2,733 32,735 16,736 1,737 23,739 34,740 13,741 11,742 2,743 4,747 3,748 3,749 1,753 1,762 11,763 2,779 1,780 1,782 11,783 4,785 8,786 2,791 5,796 1,807 1,815 2,816 1,845 3,848 1,850 2,851 1,852 1,854 21,863 1,875 1,877 2,885 11.5,886 6.569,887 4.528,888 1.744,890 2.985,891 1.443,892 0.993,893 3.675,894 9.722,895 3.466,896 4.159,897 4.796,898 5.411,899 5.836,900 6.171,901 6.593,902 6.948,903 7.173,904 7.324,905 1,906 34,907 7.687,909 3.284,910 7.976,911 14.215,913 11.4,915 2.476,916 52,920 128.529,921 117.603,922 53.665,923 39.149,925 14.96,926 38.564,927 79.039,928 167.678,929 68.625,930 17.222,932 37.905,933 63.135,934 22.504,935 17.717,936 156.275,937 39.149,938 128.529,939 132.704,940 14.96,941 77.712,943 143.49,947 18.279,948 64.436,949 89.138,950 38.564,951 143.49,952 53.665,953 156.752,956 128.529,957 23.913,958 58.802,960 142.661,961 128.529,962 68.625,963 156.752,965 0.601,966 0.366,967 0.192,968 0.102,969 18,970 9,971 0.059,972 2,974 1,975 3.179,976 168.789,978 16,979 88.239,980 1,985 14.419,986 5.353,987 2.427,989 64.949,990 5.951,991 12.38,995 3.022,996 3.329,998 353.906,999 31,1011 32.956,1012 36.356,1013 0.389,1014 0.791,1015 0.866,1016 0.891,1017 0.891,1018 0.891,1019 4.718,1020 1,1021 5.652,1022 3.375,1023 4.234,1024 4.844,1026 6.532,1027 4.078,1028 5.979,1029 0.894,1030 7.266,1031 2.338,1032 4.007,1033 4.808,1035 7.579,1036 3.721,1037 7.323,1038 0.15,1039 8.979,1040 2.275,1041 5.9,1042 7.132,1044 10.723,1045 5.599,1046 8.707,1047 -0.132,1048 10.749,1049 0.33,1050 6.479,1051 7.914,1053 12.609,1054 6.044,1055 10.121,1056 -0.558,1057 12.555,1058 -0.294,1059 7.891,1060 9.719,1062 15.292,1063 7.433,1064 11.559,1065 -0.851,1066 14.387,1067 -1.363,1068 8.813,1069 10.867,1071 17.512,1072 8.233,1073 13.014,1074 -1,1075 16.239,1076 -2.166,1077 10.061,1078 12.468,1080 20.042,1081 9.436,1082 3.304,1083 -1.241,1084 18.106,1085 -3,1086 11.128,1087 13.786,1089 22.398,1090 10.396,1091 2.977,1092 11.796,1093 19.985,1094 -3.058,1095 12.321,1096 15.303,1098 24.876,1099 11.528,1100 2.466,1101 9.986,1102 21.873,1103 4.423,1104 13.45,1105 16.699,1107 27.288,1108 12.561,1109 2.128,1110 7.28,1111 23.769,1112 4.035,1113 14.627,1114 18.185,1116 29.75,1117 13.668,1118 1.912,1119 6.297,1120 25.672,1121 3.464,1122 15.783,1123 19.618,1125 32.187,1126 14.736,1127 1.649,1128 5.378,1129 27.579,1130 2.729,1131 16.958,1132 21.092,1134 34.645,1135 15.835,1136 1.152,1137 4.709,1138 29.49,1139 2.559,1140 18.127,1141 22.544,1143 37.094,1144 16.92,1145 3791,1146 7539,1147 14.74,1148 23.517,1149 35.8,1150 37.587,1151 37.914,1152 35.407,1153 35.265,1154 47.762,1156 107.529,1157 32.37,1158 5.378,1159 5.893,1160 6.388,1161 5.277,1162 5.304,1163 7.423,1165 19.469,1166 5.05,1167 12.276,1168 1.557,1169 1.634,1170 1.648,1171 1.539,1172 1.533,1173 2.077,1175 4.675,1176 1.407,1177 4.068,1178 4.117,1179 4.146,1180 3.92,1181 8.201,1182 3.938,1183 3.888,1184 3.933,1185 3.949,1186 3.763,1187 5.161,1188 3.775,1189 3.644,1190 3.702,1191 3.733,1192 3.459,1193 4.939,1194 3.468,1195 3.105,1196 3.215,1197 3.296,1198 2.89,1199 4.587,1200 2.858,1201 2.985,1202 3.061,1203 3.203,1204 2.847,1205 4.415,1206 2.8,1207 2.854,1208 2.925,1209 2.819,1210 2.735,1211 4.017,1212 2.715,1213 2.835,1214 2.886,1215 2.769,1216 2.681,1217 3.791,1218 2.671,1219 2.468,1220 2.498,1221 2.687,1222 2.448,1223 3.674,1224 2.326,1225 0.203,1226 0.169,1227 0.303,1228 0.184,1229 0.144,1230 4.664,1231 0.192,1232 3.893,1234 6.974,1235 0.513,1236 4.23,1237 0.133,1238 3.304,1239 4.423,1241 11.796,1242 3.05,1243 1.901,1244 1.873,1245 1.989,1246 2.012,1247 1.088,1248 2.006,1249 1.631,1250 1.59,1251 1.812,1252 1.852,1253 0.941,1254 1.841,1255 1.494,1256 1.434,1257 1.599,1258 1.679,1259 0.685,1260 1.658,1261 1.227,1262 1.183,1263 1.423,1264 1.445,1265 0.546,1266 1.448,1267 1.077,1268 0.977,1269 1.181,1270 1.368,1271 0.23,1272 1.361,1273 0.886,1274 0.821,1275 1.137,1276 1.062,1277 0.218,1278 1.107,1279 0.793,1280 0.74,1281 0.864,1282 1.031,1284 1.002,1285 0.569,1286 0.517,1287 0.732,1288 0.795,1290 0.814,1291 3.85,1293 5.209,1294 3.045,1295 6.753,1296 5.476,1297 8.378,1298 7.6,1299 10.048,1301 3.657,1302 6.293,1303 13.076,1308 4.291,1318 22.612,1319 62.231,1320 126.49,1321 138.49,1322 142.49,1323 142.49,1324 142.49,1325 33.004,1326 6.737,1327 48.53,1328 87.33,1329 16,1330 12.501,1331 4.087,1332 3.17,1333 31.944,1334 58,1335 65,1336 0.279,1337 147.432,1338 239.99,1339 351.495,1340 6268,1341 6.3,1342 15.146,1343 0.721,1344 0.614,1345 15.276,1346 12.899,1347 9.986,1348 0.434,1349 0.3,1350 6.036,1351 8.978,1352 5.781,1353 4.8,1354 10.17,1355 6.911,1356 9.411,1357 0.277,1358 0.155,1359 9.493,1360 5.285,1361 8.308,1362 0.177,1363 0.084,1364 8.711,1365 3.946,1366 6.578,1367 0.106,1368 0.04,1369 7.125,1370 2.482,1371 5.069,1372 0.069,1373 0.021,1374 5.405,1375 1.526,1376 0.415,1377 69.321,1378 0.26,1379 20.214,1380 0.833,1381 114,1382 420.638,1383 158.043,1384 430.203,1385 573.37,1386 398,1387 138,1388 403.174,1389 178.316,1390 415.472,1391 610.22,1392 389,1393 4.83}
{0 CHEMBL1327783,1 2.069,2 9.091,3 1.701,4 2.892,5 88.997,6 10.526,7 0.458,8 3.675,9 3.741,10 3.681,11 3.324,12 4.836,13 3.27,14 4.198,15 4.316,16 4.068,17 3.715,18 5.362,19 3.63,20 4.395,21 4.541,22 4.101,23 3.792,24 5.621,25 3.687,26 4.381,27 4.524,28 4.035,29 3.67,30 5.783,31 3.597,32 4.24,33 4.39,34 3.991,35 3.608,36 5.681,37 3.507,38 4.136,39 4.256,40 3.869,41 3.577,42 5.459,43 3.454,44 4.046,45 4.166,46 3.725,47 3.336,48 5.373,49 3.247,50 3.773,51 3.902,52 3.283,53 3.051,54 5.173,55 3.005,56 0.144,57 0.534,58 3.984,59 3.308,60 13.863,61 3.048,62 0.403,63 0.849,64 12.428,65 6.109,66 23.863,67 5.157,68 0.576,69 0.974,70 21.153,71 8.053,72 44.8,73 7.494,74 0.633,75 0.933,76 21.427,77 7.854,78 81.281,79 7.053,80 0.647,81 0.847,82 19.581,83 6.894,84 88.094,85 5.834,86 0.415,87 0.875,88 20.843,89 6.953,90 38.902,91 4.817,92 0.475,93 0.697,94 22.646,95 6.268,96 52.511,97 3.702,98 0.424,99 0.427,100 6.132,101 3.236,102 47.444,103 3.001,104 10,105 33,106 0.38,107 0.697,108 0.762,109 0.783,110 0.783,111 0.783,112 3.147,113 1.104,114 -2.36,115 -2.39,116 -2.35,119 38.2,125 4,141 4,143 2,145 1,151 1,156 1,164 1,171 2,173 1,182 4,185 3,186 2,194 4,198 4,199 2,212 3,213 4,225 1,226 9,238 1,239 4,250 1,251 2,264 4,274 642,275 14.897,276 14.897,277 14.897,278 14.897,279 14.897,280 13.403,281 14.419,282 8.842,283 15.711,284 11.806,285 11.806,286 11.806,287 11.806,288 11.806,289 9.469,290 13.58,291 4.171,292 13.119,293 3.019,294 1.294,295 0.941,296 0.824,297 0.824,298 0.824,299 3.824,302 1,304 1,305 1,306 1,307 427,308 2.915,311 63.134,312 141.211,319 1.38,320 32.469,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 48.833,332 200,333 4.517,334 4.914,335 6.789,336 4.096,337 3.185,338 4.143,339 2.95,340 11.066,341 2.938,342 4.11,343 3.706,344 6.206,345 3.705,346 2.795,347 3.663,348 1.2,349 9.01,350 2.489,351 3.773,352 3.141,353 5.588,354 3.37,355 2.461,356 3.075,357 0.86,358 7.231,359 2.211,360 3.49,361 2.856,362 5.034,363 3.045,364 2.168,365 2.757,366 0.293,367 5.965,368 1.826,369 2.963,370 2.555,371 4.677,372 2.634,373 1.722,374 2.02,376 4.572,377 1.54,378 2.791,379 1.961,380 3.927,381 2.264,382 1.356,383 1.851,385 3.238,386 1.201,387 2.5,388 1.843,389 3.564,390 2.075,391 1.158,392 1.5,394 2.632,395 1.045,396 2.383,397 1.256,398 3.414,399 2,400 1,401 1.359,403 2.275,404 1,405 2.191,406 1.097,407 3.318,408 1.952,409 1,410 1,412 2.136,413 0.946,414 2.035,415 1.033,416 3.247,417 1.535,418 0.594,419 0.909,421 1.472,422 0.524,423 2,424 1,425 3.188,426 1.479,427 0.52,428 0.738,430 1.265,431 0.5,432 1.114,433 0.342,434 2.326,435 0.557,436 -0.267,437 -0.346,439 -0.571,440 -0.177,441 0.5,442 -0.022,443 2.146,444 0.227,445 -0.746,446 -0.795,448 -1.606,449 -0.716,450 0.5,451 -0.203,452 2,454 -1,455 -1,457 -2.347,458 -0.846,459 0.347,460 -0.36,461 1.656,462 -0.011,463 -1,464 -1.36,466 -2.387,467 -0.887,468 11.081,469 0.504,470 0.507,471 0.023,472 27.25,473 1.239,474 13,475 0.591,476 14.25,477 0.648,478 17.418,479 0.792,480 23.719,481 0.698,482 18.851,483 0.857,484 5.346,485 0.243,486 5.319,487 0.242,488 0.125,490 0.337,493 0.594,494 1.215,495 0.633,496 0.979,497 0.544,498 0.841,499 0.988,500 1,501 0.645,502 0.689,503 0.651,504 0.769,505 0.961,506 0.907,507 0.98,508 0.977,509 0.876,510 0.92,511 1.069,512 1.067,513 0.92,514 1.071,515 1.591,516 0.988,517 0.988,518 0.945,519 0.743,520 0.736,521 1.289,522 0.73,523 1.014,524 1.384,525 1.657,526 1.615,527 0.783,528 1.224,529 1.598,530 1.228,531 1.495,532 1.477,533 1.767,534 1.191,535 1.211,536 0.841,537 0.777,538 0.719,539 1.645,540 1.121,541 3.5,542 0.049,543 2.889,544 1.493,545 1.213,546 0.681,547 0.425,548 0.248,549 0.121,550 0.063,551 4761,552 18491,553 2.07,554 35.3,556 12,564 1.648,565 1.941,566 3.182,567 -0.583,569 1,571 1,573 70.339,574 2.069,575 3.793,576 4.146,577 4.264,578 4.264,579 4.264,580 2.681,581 3.88,582 4.43,583 3.271,584 755.586,585 7.625,586 8150.66,587 1,588 1,590 1,591 172.974,592 1.395,593 4.392,594 0.146,595 0.008,596 0.088,597 0.045,598 0.039,599 0.023,600 0.016,601 0.012,602 0.008,603 0.006,604 0.393,605 0.5,606 1,607 0.595,608 100.244,609 0.047,610 -0.122,611 0.08,612 -0.072,613 -0.028,614 -0.016,615 -0.133,616 0.039,617 0.132,618 0.212,619 -0.027,620 0.108,621 -0.021,622 0.076,623 0.006,624 0.033,625 0.021,626 0.062,627 0.023,628 -0.113,629 0.013,630 -0.09,631 -0.082,632 -0.027,633 0.062,634 0.089,635 0.15,636 0.276,637 0.054,638 0.216,639 -0.181,640 -0.119,641 -0.46,642 -0.347,643 0.01,644 -0.306,645 -0.394,646 -0.085,647 -0.358,648 -0.295,649 -0.351,650 -0.292,651 -0.026,652 -0.007,653 -0.102,654 -0.062,655 -0.206,656 -0.274,657 2.727,658 5.63,659 0.773,660 15.851,661 1.035,662 1.117,663 1.129,664 1.274,665 0.745,666 3.219,667 3.526,668 3.807,669 4.025,670 4.174,671 4.159,672 4.174,673 4.205,674 4.234,675 4.174,676 5.291,677 0.707,678 357.87,679 3.219,680 4.745,681 5.595,682 6.463,683 7.331,684 8.206,685 9.081,686 9.96,687 10.839,688 11.72,689 8.8,696 1,699 2,707 4,708 2,711 1,712 4,714 11,721 1,732 1,733 34,735 13,736 1,737 24,739 36,740 13,741 8,742 2,743 4,744 1,747 3,748 3,749 1,762 9,763 4,766 2,771 2,775 1,776 1,778 1,779 1,782 12,783 6,785 9,786 3,791 3,796 1,797 3,815 1,816 2,844 1,845 3,848 2,851 1,854 22,856 1,862 4,865 1,868 1,877 1,878 8.8,881 2,882 1,885 11.333,886 6.16,887 4.889,888 1.951,890 2.119,891 1.317,892 0.978,893 5.059,894 8.811,895 3.481,896 4.021,897 4.591,898 5.089,899 5.445,900 5.625,901 5.783,902 6.048,903 6.322,904 6.48,905 1,906 33,907 8.205,909 3.582,910 8,911 15.256,913 12.497,915 2.5,916 55,920 141.253,921 113.999,922 34.641,923 39.149,924 58.301,926 50.185,927 63.814,928 238.703,929 34.641,931 16.52,932 57.038,933 94.522,934 7.808,936 172.305,937 39.149,938 141.253,939 98.455,940 58.301,941 89.333,943 141.253,944 47.301,945 11,947 19.277,948 47.661,949 70.665,950 50.185,951 141.253,952 92.942,953 153.147,956 160.386,957 56.961,958 41.029,960 128.966,961 141.253,962 92.942,963 153.147,965 0.579,966 0.347,967 0.184,968 0.096,969 16,970 7,971 0.083,972 3,974 1,975 3.405,976 171.925,978 17,979 90.107,981 1,983 1,985 15.841,986 7.025,987 3.499,989 92.942,990 6.655,991 7.669,994 0.976,995 1.637,998 387.343,999 31.5,1004 25.12,1008 -0.255,1009 -1.504,1011 35.182,1012 37.983,1013 0.407,1014 0.746,1015 0.815,1016 0.838,1017 0.838,1018 0.838,1019 4.707,1020 1,1021 5.572,1022 2.632,1023 4.205,1024 4.705,1025 3.125,1026 6.382,1027 4.008,1028 5.892,1029 1,1030 7.135,1031 2.275,1032 3.761,1033 4.443,1034 0.325,1035 7.314,1036 3.392,1037 7.187,1038 0.594,1039 8.805,1040 2.136,1041 5.79,1042 6.829,1043 5.057,1044 10.441,1045 5.405,1046 8.523,1047 0.52,1048 10.54,1049 1.472,1050 6.217,1051 7.453,1052 0.653,1053 12.23,1054 5.683,1055 9.895,1056 -0.267,1057 12.317,1058 1.265,1059 7.689,1060 9.268,1061 7.189,1062 14.88,1063 7.129,1064 11.293,1065 -0.746,1066 14.122,1067 -0.571,1068 8.5,1069 10.285,1070 1.001,1071 17.005,1072 7.818,1073 12.71,1074 -1,1075 15.949,1076 -1.606,1077 9.76,1078 11.873,1079 9.348,1080 19.495,1081 9.035,1082 3.185,1083 -1,1084 17.79,1085 -2.347,1086 10.748,1087 13.079,1088 1.37,1089 21.766,1090 9.92,1091 2.795,1092 11.066,1093 19.643,1094 -2.387,1095 11.927,1096 14.568,1097 11.511,1098 24.197,1099 11.042,1100 2.461,1101 9.01,1102 21.505,1103 4.143,1104 12.996,1105 15.869,1106 1.754,1107 26.535,1108 12.021,1109 2.168,1110 7.231,1111 23.374,1112 3.663,1113 14.147,1114 17.314,1115 13.675,1116 28.944,1117 13.107,1118 1.722,1119 5.965,1120 25.249,1121 3.075,1122 15.255,1123 18.666,1124 2.143,1125 31.314,1126 14.132,1127 1.356,1128 4.572,1129 27.129,1130 2.757,1131 16.398,1132 20.091,1133 15.838,1134 33.716,1135 15.205,1136 1.158,1137 3.238,1138 29.013,1139 2.02,1140 17.525,1141 21.47,1142 2.535,1143 36.101,1144 16.253,1145 4652,1146 9326,1147 16.008,1148 25.341,1149 36.632,1150 39.01,1151 37.401,1152 36.234,1153 35.919,1154 46.028,1155 10.606,1156 101.721,1157 32.44,1158 5.517,1159 6.914,1160 6.59,1161 5.26,1162 5.185,1163 7.143,1164 5.9,1165 18.578,1166 4.938,1167 9.734,1168 1.526,1169 1.625,1170 1.558,1171 1.51,1172 1.497,1173 1.918,1174 0.442,1175 4.238,1176 1.352,1177 3.985,1178 3.988,1179 4.494,1180 4.001,1181 7.428,1182 3.923,1183 3.831,1184 3.867,1185 4.002,1186 3.726,1187 7.396,1188 3.703,1189 3.676,1190 3.705,1191 3.788,1192 3.525,1193 4.959,1194 3.512,1195 3.18,1196 3.206,1197 3.665,1198 3.109,1199 4.918,1200 3.035,1201 3.111,1202 3.146,1203 3.163,1204 2.941,1205 4.612,1206 2.91,1207 3.009,1208 3.022,1209 3.096,1210 2.794,1211 4.267,1212 2.781,1213 2.854,1214 2.925,1215 2.866,1216 2.735,1217 3.751,1218 2.715,1219 2.567,1220 2.615,1221 2.687,1222 2.42,1223 3.674,1224 2.359,1225 0.188,1226 0.205,1227 0.283,1228 0.171,1229 0.133,1230 4.517,1231 0.173,1232 4.914,1233 0.123,1234 6.789,1235 0.461,1236 4.096,1237 0.122,1238 3.185,1239 4.143,1240 2.95,1241 11.066,1242 2.938,1243 1.901,1244 1.898,1245 1.944,1246 1.977,1247 1.197,1248 1.98,1249 1.724,1250 1.678,1251 1.919,1252 1.937,1253 1.114,1254 1.95,1255 1.449,1256 1.463,1257 1.513,1258 1.579,1259 0.825,1260 1.559,1261 1.153,1262 1.089,1263 1.395,1264 1.376,1265 0.697,1266 1.429,1267 1.084,1268 1.064,1269 1.181,1270 1.207,1271 0.274,1272 1.266,1273 0.886,1274 0.821,1275 1.038,1276 1.11,1277 0.218,1278 1.107,1279 0.798,1280 0.792,1281 0.919,1282 1.062,1283 0.101,1284 1.072,1285 0.686,1286 0.614,1287 0.785,1288 0.879,1290 0.917,1291 3.892,1293 5.198,1294 2.398,1295 6.706,1296 4.595,1297 8.297,1298 6.605,1299 9.933,1302 5.831,1307 2.005,1310 5.226,1313 1.642,1318 24.044,1319 70.339,1320 128.974,1321 140.974,1322 144.974,1323 144.974,1324 144.974,1325 46.024,1326 6.692,1327 72.39,1328 119.84,1329 17,1330 12.256,1331 3.807,1332 3.087,1333 34.355,1334 68,1335 74,1336 0.248,1337 158.693,1338 270.34,1339 378.97,1340 6506,1341 2.9,1342 15.527,1343 0.706,1344 0.627,1345 16.669,1346 13.788,1347 10.665,1348 0.444,1349 0.368,1350 6.609,1351 8.858,1352 6.309,1353 5.148,1354 12.03,1355 8.834,1356 9.395,1357 0.285,1358 0.224,1359 11.298,1360 7.402,1361 8.173,1362 0.186,1363 0.133,1364 10.387,1365 5.837,1366 6.494,1367 0.118,1368 0.075,1369 8.654,1370 4.113,1371 4.913,1372 0.077,1373 0.045,1374 6.942,1375 2.909,1376 0.379,1377 81.609,1378 0.25,1379 21.514,1380 0.708,1381 114,1382 426.066,1383 202.411,1384 472.136,1385 618.12,1386 436,1387 134,1388 380.369,1389 211.836,1390 434.054,1391 629.26,1392 405,1393 4.511}
{0 CHEMBL1328086,1 2.022,2 6.565,3 3.191,4 10.181,5 85.288,6 11.93,7 0.423,8 3.638,9 3.659,10 3.656,11 3.348,12 4.954,13 3.318,14 4.145,15 4.172,16 4.188,17 3.813,18 5.593,19 3.759,20 4.436,21 4.507,22 4.318,23 3.988,24 5.689,25 3.905,26 4.501,27 4.578,28 4.3,29 3.936,30 5.851,31 3.899,32 4.448,33 4.504,34 4.326,35 3.823,36 6.172,37 3.808,38 4.269,39 4.352,40 4.165,41 3.59,42 5.832,43 3.561,44 3.936,45 4.017,46 3.817,47 3.133,48 5.848,49 3.081,50 3.416,51 3.549,52 2.92,53 2.2,54 5.216,55 2.229,56 0.262,57 0.387,58 0.727,59 2.675,60 36.614,61 1.973,62 0.481,63 0.693,64 3.158,65 5.012,66 70.555,67 3.863,68 0.699,69 0.919,70 16.797,71 8.579,72 101.388,73 6.156,74 0.81,75 0.984,76 14.38,77 8.568,78 110.637,79 6.05,80 1.009,81 0.913,82 13.649,83 7.901,84 146.809,85 5.573,86 0.734,87 0.771,88 15.855,89 7.03,90 100.752,91 4.86,92 0.771,93 0.51,94 15.615,95 5.39,96 114.806,97 3.909,98 0.557,99 0.294,100 8.662,101 3.195,102 75.668,103 2.01,104 27,105 40,106 0.376,107 0.788,108 0.869,109 0.922,110 0.922,111 0.922,112 3.192,113 0.996,114 -3.83,115 -3.79,116 -3.6,119 45.2,122 2,127 1,141 3,142 1,143 2,146 1,150 1,156 2,160 1,165 1,169 1,171 4,173 1,174 6,177 2,179 1,182 8,183 2,186 7,191 2,194 10,195 1,199 7,200 3,204 3,207 5,208 1,212 3,213 7,216 3,218 3,221 4,222 2,225 2,226 3,231 3,232 1,234 3,235 1,239 4,242 3,243 1,244 2,247 2,248 2,251 2,256 4,274 641,275 15.171,276 15.171,277 15.171,278 15.171,279 15.171,280 13.484,281 18.608,282 8.536,283 15.882,284 12.844,285 12.844,286 12.844,287 12.844,288 12.844,289 10.201,290 22.538,291 4.073,292 14.126,293 2.933,294 0.718,295 0.282,299 3.882,302 1,304 1,305 1,306 1,307 327,308 2.828,311 30.078,312 101.697,315 52.657,316 113.533,319 0.926,320 43.874,323 1,324 1,325 1,326 0.4,328 0.83,329 1,330 0.75,331 51.833,332 151,333 4.619,334 4.709,335 7.185,336 4.378,337 3.42,338 4.156,339 3.412,340 12.668,341 3.283,342 4.216,343 3.866,344 6.343,345 3.759,346 2.84,347 3.865,348 2.443,349 9.496,350 2.655,351 4.013,352 3.696,353 6.194,354 3.681,355 2.756,356 3.271,357 2.114,358 9.211,359 2.47,360 3.629,361 3.271,362 5.552,363 3.245,364 2.305,365 2.878,366 0.68,367 6.913,368 2.156,369 3.389,370 2.952,371 5.263,372 3.005,373 2.09,374 2.602,375 0.286,376 6.292,377 1.89,378 3.328,379 2.806,380 4.947,381 2.899,382 1.99,383 2.539,385 5.683,386 1.7,387 3.068,388 2.597,389 4.772,390 2.625,391 1.783,392 2.212,394 5.105,395 1.477,396 2.669,397 2.397,398 4.352,399 2.195,400 1.299,401 1.713,403 3.715,404 1.128,405 2.538,406 1.559,407 3.987,408 2.106,409 1.117,410 1.462,412 2.908,413 1.083,414 1.937,415 1.352,416 3.562,417 1.459,418 0.597,419 0.764,421 1.685,422 0.498,423 1.448,424 0.962,425 3.137,426 0.991,427 0.089,428 0.111,430 0.218,431 0.07,432 0.961,433 0.609,434 2.856,435 0.676,436 -0.221,437 -0.248,439 -0.692,440 -0.192,441 0.709,442 0.378,443 2.543,444 0.263,445 -0.611,446 -0.688,448 -1.637,449 -0.457,450 0.636,451 0.332,452 2.383,453 0.212,454 -0.677,455 -0.837,457 -1.759,458 -0.548,459 0.558,460 0.198,461 2.265,462 0.126,463 -0.784,464 -0.952,466 -2,467 -0.667,468 11.448,469 0.498,470 0.806,471 0.035,472 29.75,473 1.293,474 14.5,475 0.63,476 15.25,477 0.663,478 20.528,479 0.893,480 23.952,481 0.773,482 20.923,483 0.91,484 5.37,485 0.233,486 5.582,487 0.243,488 0.179,490 0.48,493 0.853,494 0.824,495 0.63,496 0.639,497 0.752,498 0.598,499 0.467,500 1.039,501 0.769,502 0.962,503 0.432,504 0.877,505 0.952,506 0.973,507 1.044,508 1.028,509 0.884,510 1.037,511 1.115,512 1.067,513 0.973,514 1.056,515 1.045,516 1.014,517 0.877,518 1.04,519 0.971,520 1.055,521 1,522 0.99,523 1.297,524 1.129,525 1.016,526 1.039,527 1.362,528 0.999,529 0.951,530 1.103,531 1.28,532 1.145,533 0.962,534 1.227,535 1.687,536 0.742,537 1.207,538 0.959,539 1.826,540 1.224,541 5.5,543 2.667,544 2.257,545 2.399,546 1.347,547 0.893,548 0.303,549 0.061,551 4559,552 20606,553 2.088,554 25.8,556 4,559 2,560 2,564 1.671,565 1.89,566 2.748,567 0.45,569 1,573 62.667,574 2.022,575 4.236,576 4.672,577 4.954,578 4.954,579 4.954,580 2.094,581 4.263,582 4.498,583 2.852,584 721.515,585 7.813,586 7805.01,587 1,588 1,589 1,590 1,591 153.58,592 1.51,593 4.425,594 0.212,596 0.067,597 0.052,598 0.055,599 0.031,600 0.028,601 0.016,602 0.01,604 0.471,605 0.5,606 1,607 0.872,608 102.265,609 -0.162,610 0.096,611 -0.032,612 0.142,613 -0.108,614 0.115,615 0.212,616 -0.077,617 -0.003,618 -0.064,619 0.182,620 -0.085,621 -0.158,622 -0.022,623 -0.09,624 -0.035,625 -0.137,626 -0.07,627 -0.213,628 -0.096,629 -0.095,630 -0.098,631 -0.18,632 -0.056,633 0.18,634 -0.046,635 -0.052,636 -0.087,637 0.124,638 -0.081,639 -0.211,640 -0.122,641 0.051,642 -0.032,643 -0.221,644 -0.001,645 0.321,646 -0.134,647 0.026,648 -0.087,649 0.348,650 -0.15,651 -0.131,652 0.192,653 0.022,654 0.04,655 -0.157,656 0.003,657 2.787,658 5.397,659 0.739,660 13.951,661 1.056,662 1.096,663 2.603,664 6.774,665 0.79,666 3.296,667 3.714,668 4.06,669 4.466,670 4.82,671 5.011,672 5.231,673 5.361,674 5.398,675 5.357,676 4.364,677 0.771,678 369.82,679 3.296,680 4.89,681 5.79,682 6.732,683 7.662,684 8.609,685 9.549,686 10.498,687 11.443,688 12.392,689 3.2,699 1,707 3,708 1,711 1,712 6,714 11,729 1,732 1,733 31,735 13,736 1,737 26,739 34,740 14,741 9,742 3,743 3,747 4,748 10,749 1,757 1,758 2,760 1,762 11,763 3,764 2,766 2,771 2,775 2,778 1,779 1,782 8,783 6,784 2,785 9,786 3,791 1,796 0.25,797 5,815 1,816 3,819 1,820 2,831 1,832 1,843 1,845 1,846 1,848 2,851 1,854 23,861 2,865 1,866 1,867 3,872 1,877 1,878 16.1,880 2,881 2,883 1,885 12.167,886 5.576,887 4.806,888 1.708,890 2.313,891 1.3,892 0.938,893 3.644,894 10.014,895 3.541,896 4.171,897 4.711,898 5.323,899 5.839,900 6.16,901 6.593,902 6.956,903 7.2,904 7.387,905 1,906 43,907 8.615,909 4.103,910 8.266,911 15.571,913 13.753,915 2.766,916 63.611,920 70.627,921 114.437,922 16.786,923 39.149,924 146.656,926 63.497,927 50.94,928 256.432,929 16.786,932 28.429,933 160.543,934 22.929,935 2.48,936 134.124,937 39.149,938 70.627,939 67.725,940 146.656,941 102.646,943 70.627,944 146.656,948 50.94,949 55.934,950 63.497,951 70.627,952 163.442,953 153.586,956 70.627,957 86.008,958 28.429,960 202.591,961 70.627,962 163.442,963 153.586,965 0.605,966 0.358,967 0.213,968 0.137,969 23,970 11,971 0.029,972 1,973 3,974 1.353,975 3.263,976 210.371,977 0.353,978 17,979 104.042,981 2,985 15.389,986 5.447,987 2.377,989 163.442,990 4.853,991 3.984,994 1.041,995 2.39,997 85.367,998 387.654,999 33.5,1004 24.006,1008 -1.714,1011 32.749,1012 33.99,1013 0.408,1014 0.855,1015 0.943,1016 1,1017 1,1018 1,1019 4.842,1020 1.299,1021 5.832,1022 5.105,1023 4.394,1024 4.856,1025 3.736,1026 6.751,1027 4.225,1028 6.078,1029 1.117,1030 7.456,1031 3.715,1032 4.205,1033 4.82,1034 2.882,1035 7.832,1036 3.969,1037 7.416,1038 0.597,1039 9.178,1040 2.908,1041 6.089,1042 7.017,1043 5.801,1044 11.015,1045 5.806,1046 8.781,1047 0.089,1048 10.955,1049 1.685,1050 6.661,1051 7.725,1052 5.073,1053 12.93,1054 6.334,1055 10.173,1056 -0.221,1057 12.769,1058 0.218,1059 8.09,1060 9.461,1061 8.095,1062 15.663,1063 7.726,1064 11.586,1065 -0.611,1066 14.61,1067 -0.692,1068 9.011,1069 10.516,1070 7.32,1071 17.941,1072 8.613,1073 13.015,1074 -0.677,1075 16.472,1076 -1.637,1077 10.28,1078 12.068,1079 10.468,1080 20.528,1081 9.849,1082 3.42,1083 -0.784,1084 18.35,1085 -1.759,1086 11.361,1087 13.295,1088 9.709,1089 22.957,1090 10.899,1091 2.84,1092 12.668,1093 20.242,1094 -2,1095 12.58,1096 14.766,1097 12.873,1098 25.501,1099 12.086,1100 2.756,1101 9.496,1102 22.146,1103 4.156,1104 13.734,1105 16.08,1106 12.197,1107 27.993,1108 13.208,1109 2.305,1110 9.211,1111 24.059,1112 3.865,1113 14.942,1114 17.516,1115 15.293,1116 30.527,1117 14.384,1118 2.09,1119 6.913,1120 25.98,1121 3.271,1122 16.129,1123 18.874,1124 14.73,1125 33.044,1126 15.539,1127 1.99,1128 6.292,1129 27.908,1130 2.878,1131 17.339,1132 20.294,1133 17.72,1134 35.578,1135 16.716,1136 1.783,1137 5.683,1138 29.841,1139 2.602,1140 18.544,1141 21.676,1142 17.276,1143 38.107,1144 17.886,1145 4446,1146 9536,1147 16.937,1148 24.477,1149 41.361,1150 44.749,1151 42.893,1152 40.72,1153 40.574,1154 51.145,1155 17.87,1156 127.787,1157 36.822,1158 5.571,1159 6.709,1160 6.489,1161 5.573,1162 5.42,1163 7.156,1164 6.739,1165 20.307,1166 5.283,1167 12.843,1168 1.591,1169 1.721,1170 1.65,1171 1.566,1172 1.561,1173 1.967,1174 0.687,1175 4.915,1176 1.416,1177 4.056,1178 4.059,1179 4.328,1180 4.031,1181 7.474,1182 3.995,1183 3.778,1184 3.783,1185 4,1186 3.764,1187 7.431,1188 3.717,1189 3.563,1190 3.56,1191 3.786,1192 3.456,1193 6.475,1194 3.429,1195 3.303,1196 3.279,1197 3.503,1198 3.085,1199 6.351,1200 3.096,1201 2.996,1202 3.018,1203 3.142,1204 2.819,1205 4.957,1206 2.828,1207 2.795,1208 2.797,1209 3.1,1210 2.656,1211 4.643,1212 2.669,1213 2.735,1214 2.743,1215 2.909,1216 2.593,1217 4.493,1218 2.531,1219 2.471,1220 2.5,1221 2.52,1222 2.338,1223 3.873,1224 2.289,1225 0.178,1226 0.181,1227 0.276,1228 0.168,1229 0.132,1230 4.619,1231 0.16,1232 4.709,1233 0.131,1234 7.185,1235 0.487,1236 4.378,1237 0.126,1238 3.42,1239 4.156,1240 3.412,1241 12.668,1242 3.283,1243 1.972,1244 1.964,1245 2.025,1246 2.053,1247 1.381,1248 2.054,1249 1.666,1250 1.657,1251 1.725,1252 1.758,1253 0.982,1254 1.768,1255 1.248,1256 1.274,1257 1.291,1258 1.44,1259 0.578,1260 1.407,1261 1.171,1262 1.156,1263 1.154,1264 1.435,1265 0.3,1266 1.37,1267 1.07,1268 1.095,1269 1.101,1270 1.297,1271 0.156,1272 1.269,1273 0.869,1274 0.831,1275 0.968,1276 1,1277 0.071,1278 1.044,1279 0.678,1280 0.677,1281 0.81,1282 0.873,1284 0.875,1285 0.384,1286 0.363,1287 0.621,1288 0.741,1290 0.711,1291 3.97,1293 5.361,1294 2.398,1295 6.95,1296 4.727,1297 8.644,1298 6.823,1299 10.403,1302 6.052,1306 19.2,1310 5.306,1311 0.96,1312 -2.467,1318 23.904,1319 62.667,1320 131.315,1321 144.825,1322 153.58,1323 153.58,1324 153.58,1325 52.906,1326 7.7,1327 96.72,1328 150.26,1329 23,1330 12.882,1331 3.807,1332 3.087,1333 31.362,1334 59,1335 58,1336 0.271,1337 152.368,1338 268.22,1339 363.538,1340 20620,1341 3.2,1342 16.301,1343 0.709,1344 0.592,1345 17.508,1346 13.614,1347 10.952,1348 0.421,1349 0.332,1350 6.635,1351 9.335,1352 6.378,1353 5.125,1354 12.058,1355 8.631,1356 10.854,1357 0.271,1358 0.193,1359 12.58,1360 7.725,1361 8.986,1362 0.158,1363 0.113,1364 10.907,1365 6.437,1366 8.272,1367 0.096,1368 0.064,1369 10.382,1370 5.463,1371 7.551,1372 0.061,1373 0.036,1374 9.82,1375 4.485,1376 0.392,1377 80.589,1378 0.243,1379 21.309,1380 0.862,1381 132,1382 485.075,1383 216.216,1384 526.131,1385 689.42,1386 486,1387 163,1388 440.429,1389 236.998,1390 477.004,1391 714.73,1392 449,1393 4.224}
{0 CHEMBL1331822,1 1.642,2 7.364,3 3.457,4 11.951,5 83.556,6 9.742,7 0.5,8 3.588,9 3.657,10 3.377,11 3.269,12 4.882,13 3.264,14 4.05,15 4.136,16 3.777,17 3.637,18 5.406,19 3.622,20 4.298,21 4.428,22 3.84,23 3.708,24 5.684,25 3.691,26 4.26,27 4.375,28 3.824,29 3.644,30 5.821,31 3.642,32 4.244,33 4.34,34 3.899,35 3.655,36 5.796,37 3.665,38 4.273,39 4.395,40 3.82,41 3.626,42 5.897,43 3.592,44 4.124,45 4.282,46 3.735,47 3.479,48 5.593,49 3.4,50 3.866,51 4.046,52 2.968,53 3.083,54 5.191,55 2.965,56 0.073,57 0.367,58 2.881,59 2.412,60 11.311,61 2.533,62 0.196,63 0.6,64 5.372,65 3.946,66 17.102,67 4.222,68 0.326,69 0.766,70 13.408,71 5.795,72 50.696,73 5.979,74 0.47,75 0.724,76 11.982,77 5.429,78 83.423,79 5.221,80 0.402,81 0.684,82 10.476,83 5.265,84 66.618,85 4.891,86 0.525,87 0.724,88 11.656,89 5.672,90 107.559,91 5.483,92 0.427,93 0.611,94 16.236,95 5.553,96 58.027,97 6.027,98 0.311,99 0.473,100 14.298,101 4.496,102 46.716,103 4.809,104 17,105 34,106 0.301,107 0.527,108 0.694,109 0.808,110 0.824,111 0.824,112 3.148,113 0.864,114 -4.27,115 -4.21,116 -3.98,119 53.1,134 2,141 8,142 2,143 2,155 1,156 2,171 9,173 2,174 8,182 11,186 7,194 10,198 2,199 8,207 9,213 10,221 11,225 2,226 6,234 9,239 7,247 11,251 4,259 6,264 2,271 2,274 642,275 14.69,276 14.69,277 14.69,278 14.69,279 14.69,280 12.792,281 12.648,282 8.598,283 14.849,284 11.806,285 11.806,286 11.806,287 11.806,288 11.806,289 8.789,290 14.002,291 4.057,292 12.079,293 3.358,294 2.124,295 1.211,296 0.586,297 0.5,298 0.5,299 3.822,302 1,304 1,305 1,306 1,307 344,308 2.55,311 55.044,312 136.979,319 1.091,320 34.465,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 47.833,332 162,333 4.551,334 3.891,335 6.933,336 4.236,337 3.258,338 4.142,339 1.349,340 11.636,341 3.194,342 4.203,343 3.59,344 6.381,345 3.888,346 2.883,347 3.621,348 0.8,349 9.576,350 2.88,351 3.895,352 3.205,353 5.631,354 3.442,355 2.472,356 3.397,358 7.331,359 2.399,360 3.453,361 2.939,362 4.95,363 2.967,364 2.054,365 2.792,367 5.7,368 1.822,369 3.214,370 2.519,371 4.732,372 2.795,373 1.737,374 2.43,376 4.726,377 1.822,378 3.201,379 2.172,380 4.656,381 2.741,382 1.732,383 2.303,385 4.576,386 1.691,387 2.775,388 1.474,389 3.852,390 2.318,391 1.321,392 1.886,394 3.096,395 1.316,396 2.5,397 1.323,398 3.697,399 2,400 1,401 1.5,403 2.342,404 1,405 2.486,406 1.144,407 3.327,408 1.889,409 0.918,410 1.291,412 2.136,413 0.879,414 2.332,415 1.037,416 3.247,417 1.733,418 0.681,419 1.069,421 1.693,422 0.71,423 1.643,424 1,425 2.713,426 1.044,427 0.034,428 0.05,430 0.077,431 0.03,432 0.962,433 0.312,434 2.376,435 0.458,436 -0.487,437 -0.69,439 -1.159,440 -0.386,441 0.755,442 -0.046,443 2.183,444 0.282,445 -0.724,446 -0.976,448 -1.604,449 -0.711,450 0.677,451 -0.25,452 2,453 0.209,454 -0.804,455 -1.236,457 -2.25,458 -0.824,459 0.5,460 -0.64,461 1.838,462 0.099,463 -1,464 -1.303,466 -2.347,467 -1,468 10.614,469 0.482,470 0.597,471 0.027,472 32.25,473 1.466,474 18.5,475 0.841,476 13.75,477 0.625,478 13.472,479 0.612,480 21.786,481 0.681,482 24.207,483 1.1,484 6.634,485 0.302,486 3.942,487 0.179,488 0.162,490 0.367,493 0.533,494 1.061,495 0.504,496 0.807,497 0.522,498 0.753,499 0.531,500 1.142,501 0.629,502 0.936,503 0.586,504 0.925,505 1.05,506 1.04,507 0.974,508 1.01,509 0.974,510 0.945,511 1.154,512 0.903,513 0.878,514 0.858,515 1.204,516 0.857,517 1.139,518 1.046,519 0.768,520 1.019,521 1.291,522 0.929,523 1.116,524 1.024,525 0.983,526 0.93,527 1.111,528 1.018,529 0.88,530 0.951,531 1.416,532 1.13,533 0.726,534 1.082,535 1.301,536 0.99,537 1.825,538 1.353,539 1.172,540 1.403,541 4,543 2.889,544 2.097,545 1.324,546 0.899,547 0.695,548 0.26,549 0.091,550 0.038,551 4293,552 15679,553 2.043,554 31.3,556 10,564 1.654,565 1.886,566 2.882,567 -0.762,569 1,571 1,573 52.539,574 1.642,575 2.876,576 3.789,577 4.414,578 4.5,579 4.5,580 2.244,581 3.789,582 4.434,583 3.015,584 696.449,585 7.663,586 7517.13,587 1,588 1,589 1,590 1,591 160,592 1.495,593 4.376,594 0.167,596 0.085,597 0.06,598 0.039,599 0.026,600 0.023,601 0.011,602 0.008,603 0.009,604 0.428,605 0.5,606 1,607 0.65,608 98.39,609 -0.015,610 -0.099,611 0.011,612 -0.02,613 -0.049,614 0.003,615 0.112,616 -0.147,617 -0.006,618 -0.118,619 0.005,620 -0.134,621 -0.134,622 -0.049,623 -0.067,624 -0.073,625 -0.071,626 -0.012,627 -0.036,628 0.09,629 -0.039,630 0.074,631 -0.018,632 0.038,633 -0.038,634 -0.1,635 0.04,636 -0.106,637 -0.106,638 -0.066,639 0.022,640 -0.054,641 -0.022,642 0.039,643 0.076,644 -0.081,645 0.105,646 -0.012,647 0.082,648 -0.051,649 0.114,650 0.003,651 -0.247,652 -0.065,653 -0.431,654 -0.252,655 -0.177,656 -0.265,657 2.144,658 5.661,659 0.773,660 13.909,661 1.026,662 1.098,663 3.041,664 9.25,665 0.751,666 3.219,667 3.555,668 3.85,669 4.127,670 4.304,671 4.304,672 4.407,673 4.344,674 4.29,675 4.234,676 4.741,677 0.738,678 311.73,679 3.219,680 4.762,681 5.624,682 6.515,683 7.398,684 8.296,685 9.188,686 10.088,687 10.984,688 11.885,689 3.1,696 1,707 8,712 4,714 12,719 1,732 1,733 32,735 16,736 2,737 24,739 34,740 17,741 12,742 4,743 8,744 5,747 3,748 3,749 1,762 17,766 4,771 3,773 2,775 3,778 1,779 1,782 10,783 4,785 5,786 1,791 1,794 1,796 1,797 3,815 1,816 2,835 2,845 3,851 1,854 22,868 1,877 1,878 9.4,881 3,885 11.667,886 5.926,887 4.833,888 1.832,890 2.799,891 1.416,892 0.998,893 3.718,894 9.524,895 3.555,896 4.127,897 4.71,898 5.25,899 5.758,900 5.875,901 6.257,902 6.466,903 6.698,904 6.966,905 0.8,906 35,907 8.162,909 3.618,910 8.172,911 14.827,913 12.085,915 2.672,916 58.778,920 117.711,921 121.934,922 3.124,923 39.149,924 75.435,927 121.934,928 232.294,929 3.124,931 3.124,932 94.762,933 89.978,934 12.629,936 117.711,937 39.149,938 117.711,939 125.058,940 75.435,941 39.149,943 117.711,944 75.435,947 3.124,948 102.981,949 58.101,951 117.711,952 78.559,953 161.082,956 117.711,957 27.171,958 97.887,960 114.583,961 117.711,962 78.559,963 161.082,965 0.586,966 0.352,967 0.197,968 0.107,969 17,970 8,971 0.088,972 3,974 1,975 3.287,976 178.2,978 17,979 88.107,985 14.394,986 5.683,987 2.655,989 78.559,990 13.116,995 1.26,998 357.353,999 34,1004 36.372,1006 2.349,1008 -1.255,1011 32.825,1012 35.147,1013 0.328,1014 0.575,1015 0.758,1016 0.883,1017 0.9,1018 0.9,1019 4.787,1020 1,1021 5.624,1022 3.096,1023 4.234,1024 4.812,1025 1.758,1026 6.472,1027 4.198,1028 6.005,1029 0.918,1030 7.21,1031 2.342,1032 3.892,1033 4.575,1034 0.325,1035 7.476,1036 3.814,1037 7.314,1038 0.681,1039 8.902,1040 2.136,1041 5.855,1042 6.961,1043 2.029,1044 10.625,1045 5.786,1046 8.66,1047 0.034,1048 10.656,1049 1.693,1050 6.347,1051 7.521,1052 0.931,1053 12.489,1054 6.25,1055 10.038,1056 -0.487,1057 12.452,1058 0.077,1059 7.799,1060 9.384,1061 2.398,1062 15.167,1063 7.701,1064 11.439,1065 -0.724,1066 14.277,1067 -1.159,1068 8.665,1069 10.329,1070 1.621,1071 17.37,1072 8.545,1073 12.859,1074 -0.804,1075 16.123,1076 -1.604,1077 9.925,1078 11.961,1079 2.838,1080 19.892,1081 9.798,1082 3.258,1083 -1,1084 17.985,1085 -2.25,1086 10.957,1087 13.11,1088 2.316,1089 22.233,1090 10.81,1091 2.883,1092 11.636,1093 19.859,1094 -2.347,1095 12.148,1096 14.63,1097 3.326,1098 24.701,1099 11.988,1100 2.472,1101 9.576,1102 21.743,1103 4.142,1104 13.253,1105 15.891,1106 2.996,1107 27.101,1108 13.073,1109 2.054,1110 7.331,1111 23.635,1112 3.621,1113 14.422,1114 17.354,1115 3.846,1116 29.552,1117 14.225,1118 1.737,1119 5.7,1120 25.532,1121 3.397,1122 15.559,1123 18.679,1124 3.659,1125 31.977,1126 15.343,1127 1.732,1128 4.726,1129 27.435,1130 2.792,1131 16.723,1132 20.114,1133 4.387,1134 34.425,1135 16.488,1136 1.321,1137 4.576,1138 29.341,1139 2.43,1140 17.877,1141 21.476,1142 4.307,1143 36.863,1144 17.621,1145 4250,1146 8226,1147 15.72,1148 24.034,1149 37.337,1150 39.461,1151 38.146,1152 36.381,1153 36.18,1154 48.96,1155 4.298,1156 105.775,1157 35.486,1158 5.395,1159 5.891,1160 6.735,1161 5.265,1162 5.258,1163 7.142,1164 2.549,1165 19.208,1166 5.194,1167 11.068,1168 1.556,1169 1.644,1170 1.589,1171 1.516,1172 1.508,1173 2.04,1174 0.179,1175 4.407,1176 1.479,1177 4.026,1178 4.043,1179 4.059,1180 3.951,1181 7.449,1182 3.954,1183 3.863,1184 3.889,1185 3.818,1186 3.784,1187 7.427,1188 3.782,1189 3.72,1190 3.736,1191 3.775,1192 3.602,1193 7.408,1194 3.616,1195 3.213,1196 3.218,1197 3.356,1198 3.076,1199 4.92,1200 3.088,1201 2.891,1202 2.932,1203 3.05,1204 2.795,1205 4.723,1206 2.781,1207 2.864,1208 2.925,1209 2.854,1210 2.735,1211 4.335,1212 2.715,1213 2.854,1214 2.821,1215 2.687,1216 2.604,1217 4.139,1218 2.607,1219 2.713,1220 2.777,1221 2.574,1222 2.525,1223 3.674,1224 2.59,1225 0.19,1226 0.162,1227 0.289,1228 0.177,1229 0.136,1230 4.551,1231 0.173,1232 3.891,1233 0.056,1234 6.933,1235 0.485,1236 4.236,1237 0.133,1238 3.258,1239 4.142,1240 1.349,1241 11.636,1242 3.194,1243 1.961,1244 1.945,1245 2.043,1246 2.039,1247 1.15,1248 2.041,1249 1.827,1250 1.801,1251 1.922,1252 1.91,1253 1.021,1254 1.921,1255 1.5,1256 1.478,1257 1.645,1258 1.649,1259 0.645,1260 1.644,1261 1.241,1262 1.227,1263 1.277,1264 1.516,1265 0.33,1266 1.446,1267 1.14,1268 1.127,1269 1.267,1270 1.315,1271 0.287,1272 1.295,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 0.787,1280 0.739,1281 1.048,1282 0.956,1283 0.117,1284 0.994,1285 0.633,1286 0.607,1287 0.795,1288 0.794,1290 0.812,1291 3.892,1293 5.22,1294 2.398,1295 6.749,1296 4.727,1297 8.368,1298 6.783,1299 10.036,1302 5.972,1313 0.965,1318 23.627,1319 52.539,1320 92.026,1321 121.245,1322 141.245,1323 144,1324 144,1325 49.927,1326 6.725,1327 56.14,1328 56.14,1329 17,1330 12.408,1331 4.087,1332 3.459,1333 34.077,1334 60,1335 64,1336 0.277,1337 149.502,1338 269.96,1339 356.545,1340 6412,1341 3.1,1342 15.69,1343 0.713,1344 0.549,1345 16.19,1346 12.079,1347 10.575,1348 0.441,1349 0.288,1350 6.497,1351 9.979,1352 6.343,1353 5.229,1354 10.864,1355 6.91,1356 9.612,1357 0.283,1358 0.151,1359 10.021,1360 5.138,1361 8.172,1362 0.178,1363 0.077,1364 8.434,1365 3.524,1366 6.856,1367 0.112,1368 0.04,1369 7.075,1370 2.44,1371 5.382,1372 0.074,1373 0.022,1374 5.673,1375 1.598,1376 0.412,1377 68.86,1378 0.252,1379 21.053,1380 0.838,1381 116,1382 401.055,1383 141.133,1384 416.221,1385 545.16,1386 384,1387 138,1388 365.997,1389 157.401,1390 379.69,1391 558.43,1392 358,1393 4.832}
{0 CHEMBL1332454,1 2.006,2 12.613,3 3.29,4 10.821,5 116.958,6 10.021,7 0.545,8 3.993,9 4.06,10 4.033,11 3.637,12 5.17,13 3.587,14 4.512,15 4.619,16 4.319,17 3.976,18 6.065,19 3.941,20 4.743,21 4.864,22 4.421,23 4.104,24 6.253,25 4.055,26 4.794,27 4.937,28 4.333,29 4.066,30 6.271,31 4.021,32 4.766,33 4.917,34 4.279,35 4.032,36 6.16,37 3.973,38 4.703,39 4.87,40 4.203,41 3.964,42 6.283,43 3.889,44 4.575,45 4.764,46 3.915,47 3.85,48 5.781,49 3.735,50 4.389,51 4.567,52 3.864,53 3.678,54 5.861,55 3.58,56 0.195,57 0.753,58 8.701,59 4.975,60 35.939,61 4.249,62 0.644,63 1.174,64 16.95,65 7.717,66 94.274,67 7.436,68 0.872,69 1.384,70 25.456,71 10.18,72 113.994,73 9.074,74 0.944,75 1.396,76 27.645,77 10.554,78 125.986,79 8.88,80 0.906,81 1.294,82 29.831,83 10.627,84 144.023,85 9.973,86 1.042,87 1.192,88 26.557,89 10.066,90 156.88,91 10.771,92 0.753,93 1.045,94 27.293,95 9.028,96 111.465,97 9.418,98 0.628,99 0.931,100 21.18,101 7.576,102 96.509,103 8.253,104 66,105 49,106 0.334,107 0.621,108 0.734,109 0.805,110 0.828,111 0.828,112 3.471,113 1.126,114 -2.67,115 -2.69,116 -2.62,119 39.6,124 2,141 9,143 4,144 1,145 1,148 1,156 1,171 6,173 5,174 2,177 1,179 2,182 6,185 5,186 10,189 1,191 2,194 4,199 14,204 1,212 1,213 8,216 1,221 4,225 2,226 6,229 5,234 10,239 2,247 8,250 3,251 6,256 2,259 2,263 3,264 4,269 2,274 1544,275 19.728,276 19.728,277 19.728,278 19.728,279 19.728,280 16.868,281 21.443,282 11.211,283 20.423,284 16.205,285 16.205,286 16.205,287 16.205,288 16.205,289 11.767,290 27.208,291 5.268,292 17.463,293 3.579,294 1.86,295 1.183,296 0.756,297 0.615,298 0.615,299 4.142,302 1,306 1,307 817,308 4.69,312 358.856,319 2.037,320 58.859,323 1,324 0.67,325 1,326 0.4,328 0.83,329 1,330 0.7,331 69.333,332 391,333 4.945,334 5.18,335 7.692,336 4.454,337 3.53,338 4.771,339 2.95,340 13.677,341 3.24,342 4.813,343 4.727,344 7.122,345 4.189,346 3.334,347 4.674,348 1.058,349 11.722,350 2.881,351 4.295,352 3.622,353 6.389,354 3.872,355 2.927,356 3.885,357 0.4,358 9.655,359 2.692,360 3.971,361 2.938,362 5.968,363 3.557,364 2.596,365 3.527,367 8.04,368 2.486,369 3.839,370 2.86,371 5.415,372 3.383,373 2.425,374 3.377,376 7.113,377 2.317,378 3.399,379 2.569,380 4.969,381 2.905,382 1.946,383 2.676,385 5.327,386 1.82,387 3.125,388 2.498,389 4.765,390 2.679,391 1.708,392 2.351,394 4.814,395 1.639,396 3.045,397 1.888,398 4.588,399 2.44,400 1.567,401 2.23,403 4.572,404 1.403,405 2.917,406 1.479,407 3.929,408 2.404,409 1.42,410 2.07,412 3.26,413 1.308,414 2.54,415 1.431,416 3.785,417 2,418 1.021,419 1.5,421 2.683,422 1,423 2.5,424 1.049,425 3.42,426 2,427 1,428 1.5,430 2.275,431 1,432 2.5,433 1,434 3.414,435 1.974,436 1,437 1.495,439 2.136,440 0.964,441 2.004,442 1,443 3.247,444 1.641,445 0.684,446 0.854,448 1.689,449 0.651,450 1.31,451 0.936,452 2.909,453 0.918,454 0.014,455 0.017,457 0.035,458 0.011,459 1.236,460 0.562,461 2.843,462 0.66,463 -0.188,464 -0.25,466 -0.443,467 -0.153,468 15.148,469 0.489,470 1.175,471 0.038,472 46.5,473 1.5,474 26.5,475 0.855,476 20,477 0.645,478 22.474,479 0.725,480 33.452,481 0.697,482 39.978,483 1.29,484 8.947,485 0.289,486 5.55,487 0.179,488 0.223,489 0.11,490 0.257,493 0.498,494 1.415,495 0.747,496 1.265,497 0.665,498 0.896,499 0.615,500 1.154,501 0.822,502 0.993,503 0.595,504 0.838,505 0.991,506 1.125,507 1.081,508 1.092,509 0.983,510 1.01,511 1.3,512 1.028,513 1.048,514 1.024,515 1.22,516 0.995,517 1.19,518 0.971,519 0.839,520 0.943,521 1.303,522 1.013,523 0.662,524 0.856,525 0.845,526 0.884,527 0.721,528 0.998,529 1.086,530 0.851,531 1.165,532 0.879,533 0.986,534 1.073,535 0.63,536 1.039,537 0.967,538 1.032,539 0.52,540 1.047,541 9,542 0.235,543 5.333,544 3,545 2.147,546 1.674,547 0.527,548 0.519,549 0.394,550 0.274,551 12799,552 50593,553 1.942,554 35.4,556 15,558 1,559 1,564 1.733,565 1.755,566 3.597,567 -0.201,569 1,573 96.271,574 2.006,575 3.725,576 4.402,577 4.829,578 4.97,579 4.97,580 3.084,581 4.325,582 4.928,583 3.808,584 1770.67,585 8.588,586 25797.1,591 268.078,592 1.789,593 4.832,594 0.273,595 0.009,596 0.109,597 0.058,598 0.046,599 0.039,600 0.013,601 0.017,602 0.014,603 0.011,604 0.588,605 0.33,606 0.75,607 0.824,608 162.711,609 0.074,610 -0.228,611 0.176,612 -0.135,613 -0.15,615 0.209,616 -0.04,617 0.037,618 -0.007,619 0.199,620 0.046,621 -0.016,622 -0.054,623 -0.119,624 -0.09,625 -0.014,626 -0.107,627 -0.244,628 -0.005,629 -0.134,630 -0.056,631 -0.128,632 -0.072,633 -0.154,634 -0.046,635 0.019,636 -0.019,637 -0.2,638 -0.041,639 0.291,640 0.056,641 0.073,642 0.013,643 0.217,644 0.007,645 -0.198,646 0.042,647 -0.125,648 0.031,649 -0.186,650 -0.031,651 0.19,652 -0.074,653 0.017,654 -0.053,655 0.246,656 -0.011,657 4.723,658 5.811,659 0.581,660 31.349,661 1.036,662 1.119,663 1.443,664 2.081,665 0.725,666 3.526,667 3.912,668 4.127,669 4.277,670 4.466,671 4.511,672 4.5,673 4.522,674 4.511,675 4.615,676 7.557,677 0.699,678 480.99,679 3.526,680 5.106,681 5.953,682 6.847,683 7.714,684 8.608,685 9.48,686 10.375,687 11.25,688 12.145,689 8.3,695 1,696 1,699 2,707 10,708 2,712 6,714 18,720 1,732 1,733 48,735 23,736 2,737 33,739 50,740 19,741 16,742 3,743 9,744 1,747 3,748 3,749 1,762 17,763 2,766 5,769 2,771 5,775 1,782 17,783 9,784 1,785 12,786 3,791 4,796 1,797 5,810 1,816 3,845 3,848 2,850 2,851 1,854 31,857 1,858 1,864 1,868 1,877 1,878 10.4,881 5,885 17.667,886 9.243,887 6.583,888 2.438,890 3.228,891 1.44,892 0.985,893 6.556,894 10.561,895 3.871,896 4.549,897 5.019,898 5.499,899 6.009,900 6.219,901 6.425,902 6.585,903 6.708,904 7.116,905 1,906 52,907 11.989,909 5.758,910 8.31,911 20.874,913 17.161,915 2.81,916 87.111,920 188.338,921 140.493,922 53.1,923 39.149,924 113.771,926 11.853,927 128.64,928 341.257,929 53.1,930 15.587,931 18.011,932 97.14,933 163.818,934 23.888,935 0.693,936 176.567,937 39.149,938 188.338,939 181.74,940 113.771,941 51.002,943 188.338,944 113.771,947 30.508,948 117.661,949 84.573,951 188.338,952 166.871,953 179.642,955 11.853,956 188.338,957 18.719,958 111.439,959 18.011,960 186.491,961 188.338,962 166.871,963 179.642,965 0.606,966 0.347,967 0.163,968 0.086,969 23,970 12,971 0.12,972 6,974 1,975 4.045,976 272.537,978 18,979 141.58,984 2,985 23.01,986 8.832,987 5.157,989 166.871,990 15.082,991 7.305,995 -0.197,997 18.011,998 534.851,999 47,1002 -7.54,1004 61.315,1008 -0.769,1011 49.705,1012 53.731,1013 0.359,1014 0.667,1015 0.788,1016 0.865,1017 0.89,1018 0.89,1019 5.133,1020 1.567,1021 6.028,1022 4.814,1023 4.595,1024 5.236,1025 3.043,1026 6.932,1027 4.447,1028 6.423,1029 1.42,1030 7.674,1031 4.572,1032 4.575,1033 5.497,1035 8.33,1036 4.269,1037 7.814,1038 1.021,1039 9.442,1040 3.26,1041 6.368,1042 7.638,1043 5.044,1044 11.356,1045 6.036,1046 9.249,1047 1,1048 11.283,1049 2.683,1050 7.116,1051 8.665,1053 13.528,1054 6.613,1055 10.718,1056 1,1057 13.171,1058 2.275,1059 8.505,1060 10.399,1061 7.187,1062 16.219,1063 7.959,1064 12.213,1065 0.684,1066 15.091,1067 2.136,1068 9.546,1069 11.726,1071 18.654,1072 8.847,1073 13.727,1074 0.014,1075 17.034,1076 1.689,1077 10.815,1078 13.333,1079 9.348,1080 21.264,1081 10.05,1082 3.53,1083 -0.188,1084 18.993,1085 0.035,1086 11.97,1087 14.784,1089 23.795,1090 11.074,1091 3.334,1092 13.677,1093 20.966,1094 -0.443,1095 13.206,1096 16.349,1097 11.511,1098 26.388,1099 12.229,1100 2.927,1101 11.722,1102 22.948,1103 4.771,1104 14.407,1105 17.853,1107 28.958,1108 13.318,1109 2.596,1110 9.655,1111 24.938,1112 4.674,1113 15.637,1114 19.405,1115 13.675,1116 31.552,1117 14.461,1118 2.425,1119 8.04,1120 26.935,1121 3.885,1122 16.859,1123 20.934,1125 34.14,1126 15.581,1127 1.946,1128 7.113,1129 28.937,1130 3.527,1131 18.092,1132 22.483,1133 15.838,1134 36.737,1135 16.725,1136 1.708,1137 5.327,1138 30.944,1139 3.377,1140 19.323,1141 24.024,1143 39.335,1144 17.864,1145 12607,1146 25341,1147 20.572,1148 34.778,1149 50.755,1150 54.381,1151 52.192,1152 50.651,1153 50.346,1154 69.857,1155 8.817,1156 153.993,1157 46.828,1158 5.797,1159 7.18,1160 7.494,1161 5.534,1162 5.53,1163 7.771,1164 5.9,1165 21.902,1166 5.24,1167 20.642,1168 1.538,1169 1.648,1170 1.582,1171 1.535,1172 1.526,1173 2.117,1174 0.267,1175 4.666,1176 1.419,1177 4.112,1178 4.099,1179 4.747,1180 4.087,1181 7.719,1182 4.007,1183 4.037,1184 4.012,1185 4.728,1186 4.015,1187 7.712,1188 3.903,1189 3.865,1190 3.895,1191 3.96,1192 3.801,1193 7.429,1194 3.794,1195 3.711,1196 3.694,1197 3.796,1198 3.617,1199 6.999,1200 3.57,1201 3.596,1202 3.595,1203 3.716,1204 3.515,1205 6.999,1206 3.458,1207 3.22,1208 3.278,1209 3.273,1210 2.972,1211 5.022,1212 3.001,1213 3.089,1214 3.129,1215 3.043,1216 2.865,1217 4.761,1218 2.855,1219 2.854,1220 2.925,1221 2.961,1222 2.735,1223 4.701,1224 2.715,1225 0.15,1226 0.157,1227 0.233,1228 0.135,1229 0.107,1230 4.945,1231 0.145,1232 5.18,1233 0.089,1234 7.692,1235 0.414,1236 4.454,1237 0.098,1238 3.53,1239 4.771,1240 2.95,1241 13.677,1242 3.24,1243 1.984,1244 1.989,1245 2.018,1246 2.068,1247 1.207,1248 2.096,1249 1.88,1250 1.889,1251 1.977,1252 2.002,1253 1.061,1254 2.023,1255 1.853,1256 1.835,1257 1.773,1258 1.943,1259 1.047,1260 1.964,1261 1.562,1262 1.578,1263 1.612,1264 1.711,1265 0.761,1266 1.743,1267 1.469,1268 1.475,1269 1.572,1270 1.633,1271 0.709,1272 1.667,1273 1.133,1274 1.067,1275 1.255,1276 1.405,1277 0.437,1278 1.409,1279 0.976,1280 0.947,1281 1.181,1282 1.241,1283 0.218,1284 1.252,1285 0.886,1286 0.821,1287 1.181,1288 1.062,1289 0.218,1290 1.107,1291 4.205,1293 5.572,1295 7.13,1297 8.765,1299 10.439,1301 2.348,1302 5.92,1309 2.5,1313 1.147,1318 33.549,1319 96.271,1320 178.82,1321 211.284,1322 231.814,1323 238.568,1324 238.568,1325 96.92,1326 7.333,1327 126.4,1328 143.16,1329 18,1330 12.674,1331 4.585,1332 3.907,1333 58.517,1334 144,1335 127,1336 0.201,1337 219.324,1338 381.26,1339 526.91,1340 15235,1341 2.1,1342 22.811,1343 0.736,1344 0.605,1345 23.811,1346 18.74,1347 14.497,1348 0.439,1349 0.375,1350 8.857,1351 12.095,1352 8.274,1353 6.888,1354 16.469,1355 12.389,1356 14.456,1357 0.295,1358 0.218,1359 17.556,1360 10.694,1361 11.348,1362 0.186,1363 0.116,1364 13.825,1365 7.095,1366 8.393,1367 0.118,1368 0.062,1369 10.24,1370 4.398,1371 6.391,1372 0.074,1373 0.035,1374 7.995,1375 3.007,1376 0.321,1377 111.436,1378 0.22,1379 29.355,1380 0.534,1381 164,1382 611.87,1383 272.299,1384 656.9,1385 858.1,1386 596,1387 192,1388 542.145,1389 309.825,1390 627.479,1391 909.06,1392 582,1393 5.241}
{0 CHEMBL1333292,1 1.519,2 7.842,3 1.936,4 3.748,5 63.565,6 9.042,7 0.55,8 3.516,9 3.563,10 3.201,11 2.997,12 4.917,13 3.054,14 3.941,15 4.013,16 3.553,17 3.326,18 5.528,19 3.378,20 4.066,21 4.15,22 3.601,23 3.408,24 5.463,25 3.454,26 4.209,27 4.288,28 3.688,29 3.382,30 5.817,31 3.447,32 4.187,33 4.333,34 3.448,35 3.279,36 5.908,37 3.28,38 3.985,39 4.151,40 3.139,41 3,42 5.445,43 3.01,44 3.692,45 3.832,46 2.896,47 2.6,48 5.201,49 2.683,50 3.424,51 3.564,52 2.563,53 2.305,54 4.937,55 2.354,56 0.233,57 0.348,58 3.975,59 2.744,60 28.701,61 2.33,62 0.522,63 0.518,64 7.707,65 4.117,66 71.086,67 3.789,68 0.452,69 0.594,70 8.339,71 4.748,72 56.644,73 4.384,74 0.824,75 0.639,76 10.791,77 5.06,78 80.673,79 4.638,80 0.837,81 0.629,82 13.249,83 5.185,84 129.946,85 5.788,86 0.63,87 0.504,88 11.76,89 4.146,90 83.178,91 4.497,92 0.481,93 0.355,94 8.542,95 2.826,96 71.727,97 2.6,98 0.515,99 0.258,100 7.164,101 2.06,102 55.506,103 1.929,104 35,105 28,106 0.29,107 0.684,108 0.766,109 0.805,110 0.832,111 0.845,112 3.011,113 0.79,114 -2.5,115 -2.53,116 -2.47,119 44.8,124 1,141 4,142 3,143 1,149 1,150 1,156 2,165 2,169 2,171 5,172 2,174 7,177 2,179 2,182 5,183 2,186 6,187 2,191 2,194 5,195 1,196 1,198 2,199 4,200 2,202 2,204 1,205 2,207 4,208 3,212 1,213 3,216 2,217 1,218 3,221 2,222 4,225 1,226 5,231 4,235 2,239 3,240 1,244 2,250 1,252 1,254 1,263 1,267 1,274 427,275 12.491,276 12.491,277 12.491,278 12.491,279 12.491,280 10.92,281 8.869,282 7.203,283 12.681,284 9.756,285 9.756,286 9.756,287 9.756,288 9.756,289 7.291,290 7.953,291 3.252,292 9.958,293 3.339,294 1.28,295 0.854,296 0.647,297 0.509,298 0.44,299 3.659,305 1,306 1,307 301,308 3.082,311 54.814,312 60.564,319 1.235,320 34.314,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 44,332 149,333 4.604,334 3.725,335 6.929,336 4.246,337 3.245,338 4.315,339 1.437,340 11.611,341 3.242,342 4.039,343 3.477,344 5.976,345 3.643,346 2.657,347 3.612,348 1.437,349 8.324,350 2.62,351 3.684,352 2.932,353 5.375,354 3.311,355 2.343,356 3.005,357 0.86,358 6.789,359 2.256,360 3.491,361 2.723,362 5.218,363 3.111,364 2.118,365 2.71,367 5.948,368 2.072,369 3.024,370 2.103,371 4.344,372 2.529,373 1.535,374 2.179,376 3.909,377 1.51,378 2.5,379 1.337,380 3.735,381 2,382 1,383 1.5,385 2.42,386 1,387 2.437,388 1.043,389 3.467,390 1.944,391 0.953,392 1.344,394 2.275,395 0.932,396 2.275,397 1,398 3.414,399 1.753,400 0.747,401 1.095,403 1.832,404 0.742,405 1.646,406 0.962,407 2.791,408 1.348,409 0.471,410 0.536,412 0.731,413 0.408,414 0.87,415 0.456,416 2.317,417 0.513,418 -0.453,419 -0.553,421 -0.918,422 -0.428,423 0.58,424 0.393,425 2,426 0.111,427 -0.918,428 -1.059,430 -2,431 -0.851,432 0.5,433 -0.175,434 2,436 -1,437 -1.337,439 -2,440 -0.965,441 0.448,442 -0.666,443 1.826,444 -0.005,445 -1,446 -1.468,448 -2.397,449 -1,450 0.254,451 -1,452 1.643,453 -0.059,454 -1,455 -1.5,457 -3,458 -1.019,459 -0.004,460 -1.156,461 1.136,462 -0.407,463 -1.388,464 -1.743,466 -4,467 -1.334,468 8.5,469 0.447,470 0.545,471 0.029,472 25.5,473 1.342,474 13.5,475 0.711,476 12,477 0.632,478 11.295,479 0.594,480 20.9,481 0.721,482 19.538,483 1.028,484 5.614,485 0.295,486 3.427,487 0.18,488 0.216,490 0.412,493 0.903,494 1.043,495 0.686,496 1.007,497 0.809,498 0.82,499 0.795,500 0.85,501 0.688,502 0.832,503 0.464,504 0.744,505 0.932,506 1.18,507 0.83,508 1.158,509 0.82,510 1.008,511 0.916,512 1.158,513 0.953,514 1.157,515 0.948,516 1.098,517 0.698,518 1.006,519 0.946,520 1.036,521 0.597,522 1.09,523 1.032,524 0.996,525 1.055,526 1,527 1.274,528 1.027,529 1.502,530 1.118,531 1.206,532 1.083,533 1.653,534 1.024,535 1.349,536 0.675,537 1.318,538 0.689,539 1.252,540 0.899,541 4,543 2.444,544 1.403,545 1.652,546 0.653,547 0.33,548 0.249,549 0.171,550 0.04,551 2727,552 11691,553 1.935,554 34.5,556 7,557 1,559 2,564 1.607,565 1.754,566 2.947,567 0.445,569 1,570 1,571 1,573 44.047,574 1.519,575 3.578,576 4.004,577 4.211,578 4.349,579 4.418,580 2.484,581 3.827,582 4.215,583 3.058,584 522.909,585 7.203,586 5027.7,588 1,590 1,591 140.881,592 1.568,593 4.14,594 0.2,596 0.087,597 0.048,598 0.057,599 0.03,600 0.021,601 0.021,602 0.021,603 0.008,604 0.493,605 0.5,606 1,607 1.151,608 81.213,609 -0.155,610 0.012,611 -0.029,612 0.027,613 -0.166,614 0.051,615 0.047,616 0.179,617 0.084,618 0.181,619 0.209,620 0.16,621 -0.141,622 -0.164,623 -0.053,624 -0.15,625 -0.097,626 -0.086,627 0.099,628 -0.176,629 -0.076,630 -0.195,631 -0.021,632 -0.214,633 0.212,634 -0.053,635 0.066,636 -0.068,637 0.367,638 -0.071,639 -0.081,640 -0.062,641 0.022,642 -0.047,643 -0.161,644 0.013,645 -0.351,646 -0.201,647 -0.109,648 -0.169,649 -0.356,650 -0.065,651 -0.07,652 0.235,653 -0.156,654 0.213,655 -0.15,656 0.054,657 3.017,658 4.157,659 0.579,660 13.075,661 1.048,662 1.115,663 1.271,664 1.615,665 0.674,666 3.045,667 3.367,668 3.638,669 3.892,670 4.025,671 4.007,672 4.007,673 4.043,674 3.932,675 3.611,676 4.644,677 0.687,678 262.23,679 3.045,680 4.575,681 5.425,682 6.312,683 7.189,684 8.081,685 8.969,686 9.863,687 10.755,688 11.651,707 5,710 1,712 5,714 11,722 2,730 1,733 29,735 13,736 1,737 20,739 30,740 13,741 10,742 2,743 4,744 2,747 2,748 2,762 12,763 1,766 2,771 2,775 2,779 1,781 1,782 10,783 6,784 2,785 6,796 1,797 6,815 1,816 1,843 2,845 2,850 1,854 19,861 2,865 1,878 20.7,880 2,881 2,883 2,885 10.833,886 5.483,887 4.306,888 1.44,890 2.249,891 1.364,892 0.885,893 3.69,894 8.435,895 3.35,896 3.946,897 4.539,898 5.131,899 5.57,900 5.834,901 6.124,902 6.487,903 6.697,904 6.69,905 1,906 29,907 7.011,909 3.05,910 8.482,911 12.306,913 9.541,915 2.982,916 56.667,920 94.169,921 82.596,924 156.164,927 82.596,928 250.333,930 10.883,932 49.644,933 137.476,934 35.307,935 17.22,936 82.398,938 94.169,939 82.596,940 156.164,943 94.169,944 156.164,948 82.596,951 94.169,952 156.164,953 82.596,956 94.169,957 22.069,958 60.528,960 156.164,961 94.169,962 156.164,963 82.596,965 0.582,966 0.348,967 0.189,968 0.103,969 13,970 7,971 0.133,972 4,974 1,975 2.98,976 136.645,978 11,979 76.711,985 13.331,986 5.26,987 2.521,989 156.164,990 7.366,993 5.075,995 0.333,997 85.367,998 332.929,999 27.5,1004 22.085,1008 -2.696,1011 30.382,1012 32.332,1013 0.313,1014 0.737,1015 0.824,1016 0.867,1017 0.895,1018 0.909,1019 4.572,1020 0.747,1021 5.434,1022 2.275,1023 4.043,1024 4.63,1025 2.374,1026 6.282,1027 4.013,1028 5.802,1029 0.471,1030 7.026,1031 1.832,1032 3.761,1033 4.527,1035 7.334,1036 3.721,1037 7.125,1038 -0.453,1039 8.721,1040 0.731,1041 5.666,1042 6.841,1043 2.951,1044 10.436,1045 5.624,1046 8.487,1047 -0.918,1048 10.478,1049 -0.918,1050 6.196,1051 7.561,1053 12.334,1054 6.149,1055 9.881,1056 -1,1057 12.274,1058 -2,1059 7.613,1060 9.363,1061 3.61,1062 14.988,1063 7.568,1064 11.299,1065 -1,1066 14.098,1067 -2,1068 8.494,1069 10.456,1071 17.222,1072 8.45,1073 12.735,1074 -1,1075 15.943,1076 -2.397,1077 9.739,1078 12.056,1079 4.307,1080 19.737,1081 9.697,1082 3.245,1083 -1.388,1084 17.804,1085 -3,1086 10.778,1087 13.332,1089 22.104,1090 10.739,1091 2.657,1092 11.611,1093 19.678,1094 -4,1095 11.964,1096 14.845,1097 5.019,1098 24.574,1099 11.928,1100 2.343,1101 8.324,1102 21.563,1103 4.315,1104 13.075,1105 16.211,1107 26.992,1108 13.042,1109 2.118,1110 6.789,1111 23.456,1112 3.612,1113 14.244,1114 17.689,1115 5.738,1116 29.449,1117 14.213,1118 1.535,1119 5.948,1120 25.356,1121 3.005,1122 15.387,1123 19.1,1125 31.887,1126 15.359,1127 1,1128 3.909,1129 27.262,1130 2.71,1131 16.554,1132 20.564,1133 6.461,1134 34.339,1135 16.527,1136 0.953,1137 2.42,1138 29.172,1139 2.179,1140 17.713,1141 21.998,1143 36.786,1144 17.687,1145 2884,1146 6064,1147 12.542,1148 19.534,1149 30.651,1150 31.272,1151 32.118,1152 30.13,1153 30.136,1154 40.593,1155 7.467,1156 87.679,1157 29.567,1158 5.288,1159 5.725,1160 6.48,1161 5.246,1162 5.245,1163 7.315,1164 2.873,1165 18.889,1166 5.242,1167 11.593,1168 1.533,1169 1.564,1170 1.606,1171 1.507,1172 1.507,1173 2.03,1174 0.373,1175 4.384,1176 1.478,1177 4.034,1178 4.033,1179 4.009,1180 3.933,1181 7.481,1182 3.947,1183 3.783,1184 3.789,1185 3.736,1186 3.666,1187 7.469,1188 3.683,1189 3.28,1190 3.314,1191 3.239,1192 2.997,1193 6.353,1194 3.033,1195 3.238,1196 3.221,1197 3.141,1198 2.891,1199 6.349,1200 2.955,1201 3.096,1202 3.08,1203 2.978,1204 2.735,1205 5.035,1206 2.785,1207 2.854,1208 2.925,1209 2.687,1210 2.726,1211 4.811,1212 2.715,1213 2.692,1214 2.742,1215 2.54,1216 2.512,1217 4.317,1218 2.529,1219 2.172,1220 2.237,1221 1.975,1222 1.902,1223 3.674,1224 1.909,1225 0.23,1226 0.186,1227 0.346,1228 0.212,1229 0.162,1230 4.604,1231 0.216,1232 3.725,1233 0.072,1234 6.929,1235 0.581,1236 4.246,1237 0.162,1238 3.245,1239 4.315,1240 1.437,1241 11.611,1242 3.242,1243 1.905,1244 1.889,1245 1.998,1246 1.995,1247 1.104,1248 1.995,1249 1.593,1250 1.598,1251 1.642,1252 1.758,1253 0.755,1254 1.712,1255 1.297,1256 1.299,1257 1.57,1258 1.597,1259 0.574,1260 1.561,1261 1.144,1262 1.082,1263 1.338,1264 1.464,1265 0.317,1266 1.441,1267 0.886,1268 0.867,1269 1.181,1270 1.286,1271 0.218,1272 1.187,1273 0.851,1274 0.821,1275 0.989,1276 1.062,1278 1.107,1279 0.667,1280 0.647,1281 0.899,1282 0.979,1284 0.952,1285 0.356,1286 0.338,1287 0.645,1288 0.689,1290 0.683,1291 3.714,1293 5.03,1294 2.398,1295 6.544,1296 4.727,1297 8.148,1298 6.862,1299 9.802,1301 1.507,1306 18.012,1310 4.985,1318 19.923,1319 44.047,1320 103.762,1321 116.127,1322 122.127,1323 126.127,1324 128.127,1325 44.217,1326 6.186,1327 96.97,1328 96.97,1329 11,1330 12.176,1331 3.807,1332 3.087,1333 33.499,1334 51,1335 62,1336 0.334,1337 124.17,1338 221.2,1339 294.734,1340 2930,1342 13.991,1343 0.736,1344 0.522,1345 13.991,1346 9.914,1347 9.041,1348 0.452,1349 0.263,1350 5.138,1351 8.478,1352 5.032,1353 4.18,1354 9.041,1355 5.268,1356 8.159,1357 0.291,1358 0.132,1359 8.159,1360 3.692,1361 6.522,1362 0.176,1363 0.07,1364 6.522,1365 2.588,1366 5.428,1367 0.113,1368 0.035,1369 5.428,1370 1.682,1371 4.159,1372 0.076,1373 0.018,1374 4.159,1375 1.001,1376 0.501,1377 58.578,1378 0.282,1379 18.655,1380 0.985,1381 96,1382 415.242,1383 111.278,1384 382.524,1385 495.45,1386 352,1387 113,1388 342.242,1389 126.621,1390 342.395,1391 498.49,1392 318,1393 4.446}
{0 CHEMBL1333510,1 2.048,2 9.792,3 3.48,4 12.108,5 94.28,6 11.173,7 0.654,8 3.672,9 3.726,10 3.767,11 3.404,12 4.915,13 3.346,14 4.129,15 4.194,16 4.138,17 3.774,18 5.64,19 3.7,20 4.348,21 4.457,22 4.203,23 3.824,24 5.765,25 3.743,26 4.382,27 4.503,28 4.141,29 3.677,30 5.989,31 3.651,32 4.201,33 4.305,34 4.003,35 3.589,36 5.902,37 3.537,38 4.097,39 4.196,40 3.967,41 3.54,42 5.678,43 3.497,44 4.013,45 4.128,46 3.86,47 3.467,48 5.462,49 3.38,50 3.906,51 4.025,52 3.579,53 3.269,54 5.398,55 3.202,56 0.145,57 0.51,58 3.247,59 3.085,60 22.644,61 2.43,62 0.331,63 0.758,64 5.971,65 5.061,66 51.157,67 4.223,68 0.466,69 0.952,70 16.249,71 7.459,72 57.554,73 6.336,74 0.688,75 0.982,76 18.593,77 7.432,78 92.344,79 5.832,80 0.653,81 0.806,82 17.993,83 6.631,84 116.726,85 4.749,86 0.495,87 0.752,88 9.522,89 5.009,90 67.456,91 3.122,92 0.372,93 0.734,94 13.778,95 5.229,96 42.862,97 2.899,98 0.428,99 0.575,100 12.325,101 4.853,102 59.51,103 3.153,104 17,105 37,106 0.368,107 0.602,108 0.695,109 0.804,110 0.818,111 0.818,112 3.229,113 1.074,114 -3.38,115 -3.36,116 -3.21,119 44.1,141 9,143 3,145 1,151 1,156 1,164 1,171 6,173 1,177 1,179 2,182 8,185 1,186 4,189 1,191 2,194 6,198 5,199 6,202 1,204 1,212 2,213 8,216 2,226 13,231 2,239 9,244 2,251 7,259 4,264 3,269 1,271 8,274 826,275 15.894,276 15.894,277 15.894,278 15.894,279 15.894,280 13.466,281 13.438,282 9.351,283 16.471,284 12.813,285 12.813,286 12.813,287 12.813,288 12.813,289 9.171,290 15.182,291 4.421,292 13.851,293 3.039,294 1.737,295 1.214,296 0.61,297 0.529,298 0.529,299 3.902,302 1,304 1,305 1,306 1,307 499,308 3.536,311 71.586,312 160.81,319 1.542,320 39.549,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 52.833,332 235,333 5.005,334 5.359,335 7.733,336 4.417,337 3.56,338 4.902,339 2.95,340 13.965,341 3.04,342 4.199,343 3.602,344 6.341,345 3.791,346 2.826,347 3.776,348 1.058,349 9.348,350 2.699,351 3.896,352 3.117,353 5.499,354 3.448,355 2.492,356 3.455,358 7.142,359 2.389,360 3.8,361 2.855,362 5.238,363 3.279,364 2.36,365 3.337,367 6.346,368 2.114,369 3.29,370 2.534,371 4.969,372 2.792,373 1.85,374 2.53,376 5.321,377 1.704,378 3.04,379 1.934,380 4.361,381 2.485,382 1.538,383 2.238,385 4.021,386 1.409,387 2.853,388 1.519,389 3.748,390 2.372,391 1.383,392 1.994,394 3.027,395 1.351,396 2.5,397 1.179,398 3.526,399 2,400 1,401 1.5,403 2.275,404 1,405 2.5,406 1.037,407 3.414,408 2,409 1,410 1.5,412 2.136,413 1,414 2.357,415 1,416 3.361,417 1.805,418 0.824,419 1.242,421 2.127,422 0.798,423 2.262,424 1,425 3.247,426 1.647,427 0.75,428 1.094,430 1.907,431 0.657,432 1.177,433 0.493,434 2.823,435 0.783,436 -0.212,437 -0.271,439 -0.485,440 -0.146,441 1.119,442 0.431,443 2.572,444 0.588,445 -0.23,446 -0.298,448 -0.527,449 -0.215,450 1,451 -0.015,452 2.453,453 0.037,454 -1,455 -1.267,457 -2.247,458 -0.882,459 0.518,460 -0.294,461 2,463 -1,464 -1.481,466 -2.347,467 -0.919,468 12.081,469 0.503,470 0.691,471 0.029,472 35.75,473 1.49,474 21,475 0.875,476 14.75,477 0.615,478 15.888,479 0.662,480 24.519,481 0.721,482 26.346,483 1.098,484 6.938,485 0.289,486 4.544,487 0.189,488 0.142,489 0.069,490 0.248,493 0.476,494 0.998,495 0.685,496 0.977,497 0.625,498 0.738,499 0.612,500 1.145,501 0.62,502 0.851,503 0.63,504 0.913,505 0.929,506 1.123,507 1.058,508 1.207,509 0.967,510 1.041,511 1.183,512 1.017,513 0.959,514 1.069,515 1.387,516 0.923,517 1.171,518 1.008,519 0.901,520 0.919,521 1.287,522 0.811,523 1.239,524 1.15,525 1.017,526 0.964,527 1.145,528 0.889,529 1.427,530 1.17,531 1.213,532 1.095,533 1.171,534 1.001,535 1.547,536 0.887,537 1.336,538 1.089,539 1.536,540 1.032,541 5.5,542 0.049,543 3.556,544 1.993,545 1.668,546 0.83,547 0.486,548 0.359,549 0.234,550 0.051,551 5987,552 23701,553 2.03,554 29.4,556 9,559 1,564 1.672,565 1.882,566 3.261,567 -0.177,569 1,573 69.641,574 2.048,575 3.35,576 3.873,577 4.477,578 4.558,579 4.558,580 2.721,581 3.97,582 4.554,583 3.378,584 932.286,585 7.876,586 10718.7,587 1,588 1,589 1,590 1,591 172.974,592 1.601,593 4.498,594 0.212,595 0.005,596 0.096,597 0.054,598 0.046,599 0.026,600 0.016,601 0.014,602 0.012,603 0.004,604 0.485,605 0.33,606 1,607 0.622,608 113.038,609 0.092,610 0.043,611 0.094,612 -0.052,613 -0.119,614 0.038,615 0.141,616 -0.179,617 0.119,618 0.013,619 0.13,620 -0.114,621 -0.002,622 -0.143,623 -0.012,624 -0.155,625 -0.029,626 -0.063,627 0.054,628 0.006,629 0.001,630 -0.063,631 -0.042,632 0.025,633 0.057,634 0.026,635 0.009,636 0.132,637 0.118,638 0.114,639 -0.165,640 -0.065,641 -0.095,642 -0.018,643 -0.069,644 -0.057,645 -0.427,646 -0.001,647 -0.187,648 -0.017,649 -0.19,650 -0.125,651 -0.341,652 0.121,653 -0.273,654 -0.05,655 -0.261,656 -0.076,657 4.823,658 5.691,659 0.708,660 19.604,661 1.038,662 1.105,663 2.146,664 4.607,665 0.782,666 3.296,667 3.638,668 3.892,669 4.111,670 4.248,671 4.234,672 4.22,673 4.277,674 4.277,675 4.234,676 5.656,677 0.751,678 379.87,679 3.296,680 4.844,681 5.694,682 6.581,683 7.453,684 8.346,685 9.229,686 10.127,687 11.016,688 11.917,689 8.8,696 1,699 2,707 9,708 2,711 1,712 5,714 17,720 1,732 1,733 34,735 20,736 2,737 26,739 36,740 15,741 14,742 3,743 9,744 1,747 3,748 3,749 1,762 15,766 3,769 1,771 3,775 1,778 1,779 1,782 10,783 6,784 1,785 9,786 3,791 3,796 1,797 3,815 1,816 2,845 3,848 2,851 1,854 24,857 1,864 1,877 1,878 8.8,881 3,885 12.75,886 6.126,887 5.222,888 1.798,890 3.012,891 1.442,892 1.007,893 4.831,894 9.827,895 3.651,896 4.294,897 4.847,898 5.379,899 5.788,900 5.925,901 6.086,902 6.391,903 6.63,904 6.887,905 0.857,906 37,907 9.159,909 4.316,910 8.182,911 16.209,913 13.328,915 2.682,916 64.361,920 105.94,921 137.654,922 49.527,923 39.149,924 69.458,926 37.098,927 100.556,928 214.546,929 49.527,931 18.011,932 91.332,933 105.679,934 10.565,936 136.992,937 39.149,938 105.94,939 150.083,940 69.458,941 76.247,943 105.94,944 69.458,947 20.767,948 97.799,949 76.711,950 31.052,951 105.94,952 118.985,953 176.802,955 6.046,956 105.94,957 46.321,958 85.286,959 18.011,960 140.123,961 105.94,962 118.985,963 176.802,965 0.588,966 0.344,967 0.179,968 0.093,969 18,970 8,971 0.111,972 4,974 1,975 3.532,976 195.012,978 17,979 100.039,981 1,984 1,985 16.869,986 6.873,987 3.602,989 118.985,990 14.346,991 7.293,994 0.652,995 0.521,997 18.011,998 401.727,999 37.5,1002 -3.906,1004 37.718,1008 -0.637,1011 35.298,1012 37.568,1013 0.403,1014 0.659,1015 0.761,1016 0.88,1017 0.896,1018 0.896,1019 4.877,1020 1,1021 5.72,1022 3.027,1023 4.317,1024 4.98,1025 3.027,1026 6.6,1027 4.161,1028 6.132,1029 1,1030 7.335,1031 2.275,1032 4.111,1033 5.027,1035 7.928,1036 3.74,1037 7.489,1038 0.824,1039 9.079,1040 2.136,1041 6.019,1042 7.316,1043 5.043,1044 11.031,1045 5.645,1046 8.896,1047 0.75,1048 10.906,1049 2.127,1050 6.673,1051 8.237,1053 13.243,1054 6.046,1055 10.345,1056 -0.212,1057 12.792,1058 1.907,1059 8.113,1060 10.037,1061 7.187,1062 15.994,1063 7.454,1064 11.826,1065 -0.23,1066 14.718,1067 -0.485,1068 9.127,1069 11.334,1071 18.492,1072 8.218,1073 13.333,1074 -1,1075 16.673,1076 -0.527,1077 10.425,1078 12.977,1079 9.348,1080 21.159,1081 9.432,1082 3.56,1083 -1,1084 18.651,1085 -2.247,1086 11.585,1087 14.438,1089 23.747,1090 10.366,1091 2.826,1092 13.965,1093 20.644,1094 -2.347,1095 12.846,1096 16.033,1097 11.511,1098 26.392,1099 11.503,1100 2.492,1101 9.348,1102 22.649,1103 4.902,1104 14.067,1105 17.565,1107 29.011,1108 12.518,1109 2.36,1110 7.142,1111 24.663,1112 3.776,1113 15.323,1114 19.149,1115 13.675,1116 31.649,1117 13.625,1118 1.85,1119 6.346,1120 26.685,1121 3.455,1122 16.569,1123 20.712,1125 34.279,1126 14.681,1127 1.538,1128 5.321,1129 28.711,1130 3.337,1131 17.828,1132 22.295,1133 15.838,1134 36.916,1135 15.779,1136 1.383,1137 4.021,1138 30.742,1139 2.53,1140 19.085,1141 23.871,1143 39.55,1144 16.855,1145 5864,1146 11873,1147 16.989,1148 26.58,1149 39.674,1150 41.46,1151 40.262,1152 39.426,1153 39.165,1154 55.134,1155 8.017,1156 115.23,1157 36.323,1158 5.852,1159 7.359,1160 7.535,1161 5.583,1162 5.56,1163 7.902,1164 5.9,1165 22.342,1166 5.04,1167 11.766,1168 1.526,1169 1.595,1170 1.549,1171 1.516,1172 1.506,1173 2.121,1174 0.308,1175 4.432,1176 1.397,1177 4.117,1178 4.082,1179 4.8,1180 4.156,1181 7.715,1182 4.04,1183 3.901,1184 3.932,1185 4.032,1186 3.826,1187 7.429,1188 3.821,1189 3.764,1190 3.781,1191 3.899,1192 3.721,1193 6.999,1194 3.683,1195 3.453,1196 3.423,1197 3.818,1198 3.329,1199 4.954,1200 3.277,1201 3.146,1202 3.188,1203 3.304,1204 2.959,1205 4.919,1206 2.937,1207 2.854,1208 2.925,1209 3.149,1210 2.735,1211 4.764,1212 2.715,1213 2.854,1214 2.925,1215 2.709,1216 2.735,1217 4.256,1218 2.715,1219 2.736,1220 2.762,1221 2.687,1222 2.602,1223 3.92,1224 2.583,1225 0.193,1226 0.206,1227 0.297,1228 0.17,1229 0.137,1230 5.005,1231 0.189,1232 5.359,1233 0.113,1234 7.733,1235 0.537,1236 4.417,1237 0.117,1238 3.56,1239 4.902,1240 2.95,1241 13.965,1242 3.04,1243 1.969,1244 1.994,1245 2.011,1246 2.009,1247 1.2,1248 2.049,1249 1.887,1250 1.856,1251 1.952,1252 1.981,1253 1.062,1254 1.996,1255 1.592,1256 1.614,1257 1.492,1258 1.692,1259 0.788,1260 1.699,1261 1.266,1262 1.265,1263 1.181,1264 1.469,1265 0.326,1266 1.478,1267 0.886,1268 0.829,1269 1.181,1270 1.172,1271 0.218,1272 1.136,1273 0.886,1274 0.821,1275 1.144,1276 1.062,1277 0.218,1278 1.107,1279 0.885,1280 0.821,1281 0.975,1282 1.062,1283 0.129,1284 1.107,1285 0.813,1286 0.813,1287 0.734,1288 0.929,1290 0.961,1291 3.97,1293 5.303,1294 2.398,1295 6.834,1296 4.595,1297 8.453,1298 6.629,1299 10.12,1302 5.778,1309 2.597,1318 25.518,1319 69.641,1320 113.915,1321 131.69,1322 152.219,1323 154.974,1324 154.974,1325 55.781,1326 6.816,1327 89.02,1328 125.64,1329 17,1330 12.441,1331 4.392,1332 3.644,1333 39.152,1334 79,1335 84,1336 0.242,1337 169.095,1338 286.12,1339 404.352,1340 7675,1341 2.9,1342 17.156,1343 0.715,1344 0.6,1345 18.26,1346 14.399,1347 11.481,1348 0.442,1349 0.358,1350 6.82,1351 9.678,1352 6.469,1353 5.358,1354 13.013,1355 9.312,1356 10.696,1357 0.289,1358 0.217,1359 12.997,1360 8.022,1361 8.754,1362 0.182,1363 0.131,1364 11.312,1365 6.303,1366 7.024,1367 0.117,1368 0.072,1369 9.432,1370 4.35,1371 5.242,1372 0.076,1373 0.042,1374 7.366,1375 2.926,1376 0.371,1377 87.43,1378 0.243,1379 23.251,1380 0.686,1381 126,1382 460.754,1383 220.955,1384 517.289,1385 679.27,1386 472,1387 148,1388 426.174,1389 241.584,1390 494.36,1391 716.63,1392 461,1393 4.725}
{0 CHEMBL1334550,1 1.806,2 11.536,3 4.053,4 16.423,5 108.599,6 9.042,7 0.6,8 3.925,9 4.012,10 3.79,11 3.582,12 5.075,13 3.529,14 4.434,15 4.562,16 4.096,17 3.928,18 5.783,19 3.873,20 4.681,21 4.837,22 4.203,23 4.032,24 6.046,25 3.948,26 4.697,27 4.894,28 4.137,29 3.949,30 5.979,31 3.859,32 4.622,33 4.792,34 4.166,35 3.877,36 5.956,37 3.809,38 4.587,39 4.753,40 4.125,41 3.814,42 6.207,43 3.776,44 4.452,45 4.599,46 3.87,47 3.752,48 5.814,49 3.701,50 4.359,51 4.52,52 3.876,53 3.746,54 5.642,55 3.663,56 0.099,57 0.655,58 8.655,59 4.485,60 17.838,61 4.727,62 0.335,63 1.055,64 16.844,65 7.205,66 56.516,67 8.197,68 0.601,69 1.249,70 22.603,71 9.247,72 80.977,73 10.619,74 0.503,75 1.275,76 29.429,77 10.251,78 66.721,79 11.315,80 0.536,81 1.16,82 28.929,83 9.162,84 83.621,85 9.349,86 0.842,87 1.077,88 31.252,89 8.96,90 139.824,91 9.155,92 0.551,93 0.953,94 21.766,95 6.91,96 94.474,97 6.369,98 0.364,99 0.886,100 18.191,101 6.394,102 51.201,103 6.848,104 26,105 42,106 0.306,107 0.603,108 0.732,109 0.822,110 0.866,111 0.866,112 3.374,113 1.051,114 -4.2,115 -4.14,116 -3.92,119 43.5,120 1,125 2,141 9,142 3,143 1,144 1,145 1,148 1,156 1,171 13,173 2,177 1,179 1,182 14,185 5,186 4,189 1,191 2,194 8,199 8,204 3,207 1,212 1,213 11,216 1,218 1,225 2,226 14,229 2,234 1,239 9,244 1,247 3,251 7,256 2,259 4,264 8,269 2,271 4,274 1264,275 18.386,276 18.386,277 18.386,278 18.386,279 18.386,280 15.728,281 17.874,282 10.863,283 18.905,284 14.8,285 14.8,286 14.8,287 14.8,288 14.8,289 10.791,290 19.301,291 5.184,292 15.734,293 3.718,294 1.96,295 1.202,296 0.669,297 0.408,298 0.408,299 4.051,302 1,305 1,306 1,307 682,308 3.873,312 309.776,319 1.931,320 41.287,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 60.833,332 323,333 4.865,334 5.263,335 7.314,336 4.26,337 3.406,338 4.719,339 3.272,340 12.543,341 2.911,342 4.293,343 3.615,344 6.389,345 3.876,346 2.928,347 3.889,348 1.081,349 9.656,350 2.752,351 4.009,352 3.056,353 5.519,354 3.588,355 2.596,356 3.619,357 0.473,358 7.399,359 2.555,360 3.896,361 2.877,362 5.349,363 3.505,364 2.515,365 3.444,367 6.982,368 2.487,369 3.431,370 2.712,371 4.956,372 2.979,373 2.026,374 2.694,376 5.553,377 1.926,378 3.264,379 2.571,380 4.845,381 2.885,382 1.916,383 2.51,385 5.234,386 1.804,387 3.046,388 2.009,389 4.574,390 2.494,391 1.554,392 2.239,394 4.562,395 1.486,396 2.918,397 1.647,398 3.889,399 2.434,400 1.499,401 2.086,403 3.239,404 1.322,405 2.662,406 1.433,407 3.594,408 2.182,409 1.184,410 1.736,412 2.81,413 1.18,414 2.575,415 1.233,416 3.486,417 2.05,418 1.114,419 1.568,421 2.593,422 1.035,423 2.5,424 1.056,425 3.247,426 2,427 1,428 1.5,430 2.136,431 1,432 1.762,433 1.042,434 3.213,435 1.436,436 0.463,437 0.567,439 1.046,440 0.44,441 1.248,442 1,443 2.971,444 0.849,445 -0.052,446 -0.063,448 -0.133,449 -0.038,450 1.2,451 0.398,452 2.707,453 0.667,454 -0.178,455 -0.232,457 -0.46,458 -0.149,459 1,460 -0.022,461 2.381,462 0.564,463 -0.43,464 -0.532,466 -1.013,467 -0.427,468 13.748,469 0.491,470 0.824,471 0.029,472 40,473 1.429,474 22.5,475 0.804,476 17.5,477 0.625,478 20.631,479 0.737,480 29.452,481 0.64,482 31.41,483 1.122,484 7.892,485 0.282,486 5.456,487 0.195,488 0.161,489 0.061,490 0.255,493 0.514,494 1.212,495 0.696,496 1.073,497 0.618,498 0.87,499 0.606,500 1.153,501 0.816,502 1.066,503 0.611,504 0.939,505 0.788,506 1.097,507 0.877,508 1.023,509 0.961,510 1.09,511 0.957,512 1.096,513 0.915,514 1.073,515 0.932,516 0.938,517 1.333,518 1.097,519 0.879,520 1.02,521 1.509,522 0.933,523 1.147,524 0.955,525 1.208,526 1.051,527 1.12,528 0.8,529 1.994,530 0.942,531 1.347,532 0.845,533 1.981,534 0.922,535 1.387,536 0.921,537 1.21,538 0.831,539 1.158,540 0.959,541 7,542 0.124,543 3.556,544 2.125,545 1.667,546 1.312,547 0.549,548 0.427,549 0.341,550 0.247,551 9732,552 30546,553 2.005,554 39.1,555 3,556 13,558 1,559 1,564 1.711,565 1.856,566 3.488,567 -0.288,569 1,573 83.077,574 1.806,575 3.564,576 4.322,577 4.855,578 5.116,579 5.116,580 2.937,581 3.771,582 4.776,583 3.665,584 1385.32,585 8.31,586 18515.6,588 1,590 1,591 254.084,592 1.598,593 4.719,594 0.233,595 0.006,596 0.085,597 0.051,598 0.044,599 0.035,600 0.014,601 0.013,602 0.011,603 0.009,604 0.502,605 0.33,606 1,607 0.616,608 141.351,609 0.049,610 -0.088,611 0.123,612 -0.036,613 -0.114,614 0.024,615 0.176,616 -0.077,617 0.024,618 -0.083,619 0.144,620 -0.029,621 0.208,622 -0.084,623 0.014,624 -0.091,625 0.038,626 -0.168,627 0.038,628 -0.08,629 0.11,630 -0.029,631 0.068,632 0.056,633 -0.078,634 -0.085,635 0.133,636 0.002,637 -0.149,638 0.009,639 0.274,640 0.057,641 0.022,642 0.008,643 0.36,644 0.147,645 -0.527,646 0.086,647 -0.31,648 0.084,649 -0.436,650 -0.058,651 -0.31,652 0.104,653 -0.143,654 0.082,655 -0.192,656 -0.05,657 4.748,658 5.679,659 0.643,660 28.653,661 1.016,662 1.115,663 2.971,664 8.826,665 0.717,666 3.434,667 3.761,668 3.951,669 4.143,670 4.331,671 4.344,672 4.304,673 4.382,674 4.382,675 4.431,676 6.82,677 0.683,678 415.93,679 3.434,680 4.977,681 5.802,682 6.673,683 7.517,684 8.393,685 9.244,686 10.124,687 10.979,688 11.862,689 6.5,696 1,699 2,707 10,708 2,712 6,714 18,720 1,732 1,733 46,735 21,736 2,737 30,739 48,740 20,741 16,742 3,743 9,744 1,747 3,748 3,749 1,753 1,762 17,763 3,766 3,769 1,771 3,775 1,779 1,782 18,783 6,784 1,785 8,786 2,791 3,796 1,797 3,810 1,816 3,845 3,848 1,850 1,851 1,854 28,857 1,862 2,864 1,877 1,878 6.5,881 3,885 15.083,886 8.543,887 6.097,888 2.537,890 3.006,891 1.425,892 0.987,893 6.203,894 10.075,895 3.761,896 4.388,897 4.862,898 5.364,899 5.862,900 5.982,901 6.102,902 6.341,903 6.483,904 6.822,905 0.875,906 42,907 10.658,909 4.871,910 8.043,911 19.292,913 15.729,915 2.543,916 71.194,919 1,920 200.109,921 133.422,922 51.582,923 39.149,924 69.458,926 6.046,927 127.376,928 308.715,929 51.582,930 8.825,931 21.016,932 91.332,933 119.505,934 24.861,935 0.693,936 188.338,937 39.149,938 200.109,939 178.958,940 69.458,941 45.195,943 200.109,944 69.458,947 42.339,948 103.048,949 78.766,951 200.109,952 121.04,953 172.571,955 6.046,956 200.109,957 24.217,958 103.159,959 18.011,960 142.178,961 200.109,962 121.04,963 172.571,965 0.587,966 0.328,967 0.165,968 0.089,969 19,970 9,971 0.125,972 6,974 1,975 3.93,976 233.031,978 18,979 126.606,984 1,985 20.158,986 8.617,987 5.243,989 121.04,990 17.598,991 7.751,995 1.853,997 18.011,998 493.719,999 42,1002 -3.831,1004 37.797,1008 -0.566,1011 46.756,1012 51.309,1013 0.327,1014 0.645,1015 0.782,1016 0.879,1017 0.926,1018 0.926,1019 4.987,1020 1.499,1021 5.82,1022 4.562,1023 4.443,1024 5.075,1025 3.227,1026 6.642,1027 4.319,1028 6.232,1029 1.184,1030 7.398,1031 3.239,1032 4.205,1033 5.112,1035 7.818,1036 3.931,1037 7.576,1038 1.114,1039 9.093,1040 2.81,1041 6.098,1042 7.369,1043 5.452,1044 10.834,1045 5.81,1046 8.963,1047 1,1048 10.861,1049 2.593,1050 6.661,1051 8.208,1053 12.865,1054 6.173,1055 10.385,1056 0.463,1057 12.679,1058 2.136,1059 8.091,1060 10.005,1061 7.808,1062 15.505,1063 7.573,1064 11.834,1065 -0.052,1066 14.535,1067 1.046,1068 9.009,1069 11.208,1071 17.851,1072 8.278,1073 13.304,1074 -0.178,1075 16.418,1076 -0.133,1077 10.277,1078 12.836,1079 10.177,1080 20.396,1081 9.476,1082 3.406,1083 -0.43,1084 18.322,1085 -0.46,1086 11.354,1087 14.212,1089 22.853,1090 10.345,1091 2.928,1092 12.543,1093 20.243,1094 -1.013,1095 12.569,1096 15.777,1097 12.548,1098 25.377,1099 11.452,1100 2.596,1101 9.656,1102 22.177,1103 4.719,1104 13.718,1105 17.237,1107 27.876,1108 12.404,1109 2.515,1110 7.399,1111 24.122,1112 3.889,1113 14.92,1114 18.782,1115 14.919,1116 30.397,1117 13.471,1118 2.026,1119 6.982,1120 26.074,1121 3.619,1122 16.103,1123 20.285,1125 32.912,1126 14.465,1127 1.916,1128 5.553,1129 28.033,1130 3.444,1131 17.307,1132 21.825,1133 17.29,1134 35.435,1135 15.516,1136 1.554,1137 5.234,1138 29.997,1139 2.694,1140 18.506,1141 23.349,1143 37.957,1144 16.532,1145 9485,1146 17043,1147 19.474,1148 32.977,1149 44.842,1150 48.023,1151 45.894,1152 44.661,1153 44.397,1154 61.143,1155 9.652,1156 127.506,1157 41.793,1158 5.742,1159 7.263,1160 7.116,1161 5.386,1162 5.406,1163 7.719,1164 6.545,1165 19.972,1166 4.911,1167 14.88,1168 1.495,1169 1.601,1170 1.53,1171 1.489,1172 1.48,1173 2.038,1174 0.322,1175 4.25,1176 1.393,1177 4.095,1178 4.082,1179 4.742,1180 4.078,1181 7.714,1182 3.99,1183 3.916,1184 3.948,1185 3.962,1186 3.851,1187 7.429,1188 3.843,1189 3.871,1190 3.896,1191 3.838,1192 3.804,1193 6.999,1194 3.785,1195 3.665,1196 3.648,1197 3.81,1198 3.58,1199 5.022,1200 3.538,1201 3.362,1202 3.424,1203 3.372,1204 3.145,1205 4.758,1206 3.16,1207 3.166,1208 3.241,1209 3.087,1210 3.027,1211 4.727,1212 3,1213 2.986,1214 3.025,1215 2.98,1216 2.808,1217 4.438,1218 2.82,1219 2.899,1220 2.945,1221 2.881,1222 2.773,1223 4.067,1224 2.761,1225 0.162,1226 0.175,1227 0.244,1228 0.142,1229 0.114,1230 4.865,1231 0.157,1232 5.263,1233 0.109,1234 7.314,1235 0.418,1236 4.26,1237 0.097,1238 3.406,1239 4.719,1240 3.272,1241 12.543,1242 2.911,1243 1.978,1244 1.979,1245 2.055,1246 2.056,1247 1.276,1248 2.086,1249 1.912,1250 1.881,1251 2.041,1252 2.006,1253 1.152,1254 2.019,1255 1.813,1256 1.803,1257 1.776,1258 1.935,1259 0.99,1260 1.939,1261 1.532,1262 1.547,1263 1.595,1264 1.677,1265 0.77,1266 1.702,1267 1.293,1268 1.228,1269 1.53,1270 1.525,1271 0.654,1272 1.536,1273 1.183,1274 1.116,1275 1.4,1276 1.383,1277 0.557,1278 1.433,1279 0.924,1280 0.886,1281 1.181,1282 1.152,1283 0.218,1284 1.139,1285 0.886,1286 0.834,1287 1.081,1288 1.062,1289 0.18,1290 1.107,1291 4.111,1293 5.434,1295 6.946,1297 8.54,1299 10.176,1301 1.879,1302 6.023,1307 0.007,1309 2.683,1318 31.438,1319 83.077,1320 163.929,1321 198.8,1322 223.329,1323 235.329,1324 235.329,1325 68.415,1326 7.069,1327 89.02,1328 97.4,1329 18,1330 12.402,1331 4.459,1332 3.7,1333 49.678,1334 114,1335 116,1336 0.212,1337 202.999,1338 351.47,1339 487.076,1340 11082,1341 2.2,1342 20.148,1343 0.72,1344 0.595,1345 20.898,1346 16.666,1347 13.348,1348 0.445,1349 0.35,1350 8.563,1351 11.947,1352 8.134,1353 6.781,1354 14.458,1355 10.51,1356 12.54,1357 0.299,1358 0.204,1359 14.212,1360 8.556,1361 9.709,1362 0.19,1363 0.112,1364 11.158,1365 5.693,1366 7.704,1367 0.124,1368 0.064,1369 9.032,1370 3.976,1371 5.885,1372 0.078,1373 0.037,1374 7.15,1375 2.79,1376 0.334,1377 94.369,1378 0.227,1379 26.943,1380 0.576,1381 144,1382 475.893,1383 208.697,1384 513.358,1385 671.96,1386 470,1387 165,1388 430.538,1389 233.826,1390 483.04,1391 698.34,1392 449,1393 4.911}
{0 CHEMBL1337235,1 1.95,2 11.115,3 1.826,4 3.334,5 97.614,6 9.23,7 0.429,8 3.889,9 3.977,10 3.769,11 3.445,12 5.011,13 3.419,14 4.445,15 4.584,16 4.062,17 3.781,18 5.797,19 3.77,20 4.672,21 4.847,22 4.123,23 3.894,24 6.031,25 3.855,26 4.588,27 4.778,28 4.007,29 3.869,30 5.829,31 3.797,32 4.611,33 4.812,34 4.008,35 3.828,36 5.802,37 3.735,38 4.52,39 4.719,40 3.971,41 3.666,42 6.039,43 3.602,44 4.276,45 4.467,46 3.611,47 3.489,48 5.473,49 3.396,50 4.091,51 4.276,52 3.543,53 3.383,54 5.317,55 3.3,56 0.164,57 0.67,58 8.147,59 4.226,60 21.121,61 4.278,62 0.567,63 1.039,64 19.016,65 6.562,66 63.179,67 7.18,68 0.943,69 1.174,70 23.666,71 7.666,72 97.754,73 8.874,74 0.555,75 1.115,76 21.594,77 8.094,78 49.974,79 9.722,80 0.625,81 1.048,82 28.144,83 9.185,84 74.834,85 10.98,86 0.872,87 0.899,88 24.731,89 7.677,90 123.214,91 9.248,92 0.608,93 0.727,94 22.235,95 5.802,96 59.776,97 6.4,98 0.368,99 0.672,100 17.075,101 5.403,102 30.169,103 6.044,104 27,105 40,106 0.339,107 0.669,108 0.77,109 0.786,110 0.802,111 0.802,112 3.304,113 1.08,114 -2.26,115 -2.3,116 -2.26,119 37.2,124 1,125 4,141 4,143 3,144 1,145 1,148 1,156 1,171 2,173 2,174 2,177 1,179 2,182 2,185 6,186 4,189 1,191 2,194 2,199 3,204 1,212 1,213 6,216 2,225 2,226 6,229 2,234 2,238 1,239 2,247 2,250 1,251 6,254 1,264 5,274 980,275 16.971,276 16.971,277 16.971,278 16.971,279 16.971,280 15.103,281 22.728,282 9.884,283 17.742,284 13.807,285 13.807,286 13.807,287 13.807,288 13.807,289 10.885,290 29.157,291 4.694,292 15.134,293 3.476,294 1.574,295 0.994,296 0.901,297 0.808,298 0.808,299 3.98,302 1,305 1,306 1,307 610,308 3.606,312 281.495,319 1.808,320 39.786,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 58.333,332 289,333 4.813,334 5.18,335 7.122,336 4.189,337 3.334,338 4.674,339 2.95,340 11.722,341 2.885,342 4.299,343 3.622,344 6.389,345 3.886,346 2.938,347 3.889,348 1.058,349 9.656,350 2.734,351 4.129,352 3.122,353 6.142,354 3.793,355 2.851,356 3.684,357 0.86,358 9.052,359 2.659,360 3.705,361 2.935,362 5.394,363 3.37,364 2.426,365 2.982,366 0.8,367 7.072,368 2.277,369 3.34,370 2.57,371 4.809,372 2.887,373 1.944,374 2.582,376 5.163,377 1.789,378 3.054,379 2.517,380 4.589,381 2.683,382 1.75,383 2.243,385 4.606,386 1.618,387 2.951,388 2.264,389 4.433,390 2.437,391 1.567,392 2.009,394 4.425,395 1.312,396 2.546,397 1.553,398 3.8,399 2.069,400 1.18,401 1.51,403 2.815,404 1.04,405 2.5,406 1.431,407 3.496,408 2,409 1,410 1.5,412 2.567,413 1,414 2.252,415 1.256,416 3.414,417 1.952,418 1,419 1.229,421 2.275,422 0.946,423 2,424 1.049,425 3.247,426 1.945,427 1,428 1,430 2.136,431 0.935,432 1.296,433 1,434 2.894,435 0.953,436 0.035,437 0.042,439 0.086,440 0.028,441 1.234,442 0.557,443 2.793,444 0.667,445 -0.161,446 -0.205,448 -0.373,449 -0.125,450 1,451 0.328,452 2.379,453 0.326,454 -0.643,455 -0.723,457 -1.527,458 -0.611,459 0.685,460 -0.178,461 2.202,462 0.133,463 -0.826,464 -1,466 -2.265,467 -0.767,468 12.481,469 0.48,470 0.83,471 0.032,472 35.25,473 1.356,474 17.5,475 0.673,476 17.75,477 0.683,478 19.619,479 0.755,480 28.919,481 0.673,482 27.066,483 1.041,484 6.824,485 0.262,486 5.518,487 0.212,488 0.177,489 0.067,490 0.272,493 0.643,494 1.532,495 0.687,496 1.222,497 0.626,498 0.947,499 0.921,500 1.273,501 0.864,502 1.057,503 0.604,504 0.879,505 1.005,506 0.874,507 0.837,508 0.728,509 0.967,510 0.897,511 0.686,512 1.06,513 0.767,514 1.004,515 0.643,516 1.049,517 0.74,518 0.98,519 0.657,520 0.974,521 0.966,522 1.021,523 0.696,524 0.956,525 0.772,526 0.86,527 0.586,528 0.891,529 1.373,530 0.833,531 1.48,532 0.876,533 1.154,534 1.003,535 0.847,536 0.975,537 1.17,538 1.13,539 0.788,540 1,541 6.5,542 0.14,543 3.556,544 1.75,545 1.307,546 1.264,547 0.404,548 0.361,549 0.295,550 0.169,551 8122,552 29203,553 2.005,554 39.5,556 15,558 1,559 1,564 1.687,565 1.846,566 3.428,567 -0.18,568 1,569 1,573 83.843,574 1.95,575 3.853,576 4.432,577 4.525,578 4.618,579 4.618,580 2.907,581 3.95,582 4.673,583 3.622,584 1177.2,585 8.077,586 14982.7,588 1,590 1,591 233.329,592 1.648,593 4.606,594 0.232,595 0.008,596 0.089,597 0.044,598 0.037,599 0.039,600 0.013,601 0.016,602 0.013,603 0.008,604 0.502,605 0.33,606 1,607 0.819,608 128.485,609 -0.005,610 -0.284,611 0.127,612 -0.113,613 -0.107,614 -0.019,615 -0.013,616 -0.151,617 -0.018,618 -0.064,619 0.152,620 0.031,621 0.009,622 0.15,623 -0.024,624 0.11,625 0.007,626 -0.002,627 0.031,628 -0.037,629 0.04,630 -0.09,631 0.077,632 -0.066,633 0.088,634 -0.066,635 0.202,636 -0.026,637 -0.046,638 0.013,639 0.311,640 -0.063,641 0.217,642 0.057,643 0.416,644 0.111,645 -0.323,646 0.12,647 -0.265,648 0.077,649 -0.229,650 -0.037,651 -0.026,652 0.07,653 -0.086,654 -0.056,655 0.019,656 0.007,657 4.56,658 5.393,659 0.692,660 24.284,661 1.03,662 1.13,663 1.029,664 1.058,665 0.69,666 3.367,667 3.714,668 3.912,669 4.094,670 4.317,671 4.344,672 4.331,673 4.357,674 4.369,675 4.466,676 6.661,677 0.666,678 396.89,679 3.367,680 4.92,681 5.753,682 6.629,683 7.48,684 8.357,685 9.214,686 10.091,687 10.95,688 11.827,689 9.3,695 1,696 1,699 2,707 5,708 2,712 5,714 12,720 1,727 1,732 1,733 43,735 15,736 1,737 28,739 45,740 16,741 10,742 2,743 4,744 1,747 3,748 3,749 1,762 11,763 5,766 3,769 1,771 3,775 1,779 1,782 17,783 8,784 1,785 10,786 2,791 4,796 1,797 4,810 1,816 3,844 1,845 3,848 1,850 1,851 1,854 26,857 1,862 4,864 1,865 1,868 1,877 1,878 9.3,881 3,882 1,885 14.083,886 7.993,887 5.583,888 2.363,890 2.385,891 1.338,892 0.973,893 5.656,894 9.446,895 3.638,896 4.248,897 4.696,898 5.18,899 5.704,900 5.92,901 6.083,902 6.218,903 6.347,904 6.707,905 1,906 40,907 9.842,909 4.473,910 8.116,911 17.857,913 14.589,915 2.616,916 68.028,920 188.338,921 90.753,922 54.706,923 39.149,924 80.458,926 6.046,927 84.708,928 307.944,929 54.706,930 7.19,931 31.407,932 43.951,933 130.505,934 23.943,935 0.693,936 176.567,937 39.149,938 188.338,939 139.414,940 80.458,941 45.195,943 188.338,944 69.458,945 11,947 43.904,948 61.938,949 78.766,951 188.338,952 135.164,953 129.902,955 6.046,956 188.338,957 30.565,958 57.267,959 18.011,960 153.177,961 188.338,962 135.164,963 129.902,965 0.594,966 0.332,967 0.164,968 0.091,969 19,970 9,971 0.089,972 4,974 1,975 3.755,976 211.261,978 18,979 112.211,984 1,985 18.895,986 7.783,987 4.653,989 135.164,990 8.404,991 7.402,995 0.905,997 18.011,998 453.404,999 37,1002 -3.643,1004 35.497,1008 -0.61,1011 44.302,1012 48.601,1013 0.359,1014 0.71,1015 0.817,1016 0.834,1017 0.851,1018 0.851,1019 4.89,1020 1.18,1021 5.784,1022 4.425,1023 4.394,1024 4.934,1025 3.139,1026 6.619,1027 4.221,1028 6.13,1029 1,1030 7.373,1031 2.815,1032 4.205,1033 5.066,1034 0.325,1035 7.789,1036 3.874,1037 7.483,1038 1,1039 9.076,1040 2.567,1041 6.071,1042 7.227,1043 5.053,1044 10.77,1045 5.707,1046 8.876,1047 1,1048 10.847,1049 2.275,1050 6.661,1051 8.153,1052 0.268,1053 12.727,1054 6.118,1055 10.304,1056 0.035,1057 12.661,1058 2.136,1059 8.073,1060 9.888,1061 7.188,1062 15.31,1063 7.485,1064 11.758,1065 -0.161,1066 14.505,1067 0.086,1068 8.99,1069 11.141,1070 0.188,1071 17.556,1072 8.225,1073 13.231,1074 -0.643,1075 16.371,1076 -0.373,1077 10.24,1078 12.735,1079 9.348,1080 20.026,1081 9.401,1082 3.334,1083 -0.826,1084 18.252,1085 -1.527,1086 11.299,1087 14.133,1088 0.125,1089 22.386,1090 10.291,1091 2.938,1092 11.722,1093 20.146,1094 -2.265,1095 12.492,1096 15.677,1097 11.511,1098 24.828,1099 11.384,1100 2.851,1101 9.656,1102 22.049,1103 4.674,1104 13.615,1105 17.143,1106 0.082,1107 27.236,1108 12.346,1109 2.426,1110 9.052,1111 23.96,1112 3.889,1113 14.791,1114 18.673,1115 13.675,1116 29.676,1117 13.403,1118 1.944,1119 7.072,1120 25.878,1121 3.684,1122 15.944,1123 20.172,1124 0.054,1125 32.107,1126 14.401,1127 1.75,1128 5.163,1129 27.801,1130 2.982,1131 17.12,1132 21.701,1133 15.838,1134 34.551,1135 15.443,1136 1.567,1137 4.606,1138 29.729,1139 2.582,1140 18.288,1141 23.217,1142 0.035,1143 36.994,1144 16.459,1145 7931,1146 15283,1147 18.087,1148 29.676,1149 42.106,1150 45.502,1151 42.885,1152 42.3,1153 42.052,1154 54.684,1155 11.337,1156 123.149,1157 38.445,1158 5.813,1159 7.18,1160 6.924,1161 5.293,1162 5.334,1163 7.674,1164 5.9,1165 18.752,1166 4.885,1167 14.486,1168 1.504,1169 1.625,1170 1.532,1171 1.511,1172 1.502,1173 1.953,1174 0.405,1175 4.398,1176 1.373,1177 4.057,1178 4.051,1179 4.733,1180 4.023,1181 7.716,1182 3.926,1183 3.947,1184 3.97,1185 3.972,1186 3.856,1187 7.429,1188 3.844,1189 3.717,1190 3.749,1191 3.869,1192 3.586,1193 6.999,1194 3.557,1195 3.641,1196 3.645,1197 3.571,1198 3.476,1199 5.022,1200 3.482,1201 3.24,1202 3.283,1203 3.291,1204 2.985,1205 4.771,1206 3.025,1207 3.111,1208 3.206,1209 3.051,1210 2.941,1211 4.585,1212 2.91,1213 2.89,1214 2.939,1215 2.866,1216 2.735,1217 4.439,1218 2.715,1219 2.854,1220 2.925,1221 2.802,1222 2.657,1223 4,1224 2.683,1225 0.172,1226 0.185,1227 0.254,1228 0.15,1229 0.119,1230 4.813,1231 0.167,1232 5.18,1233 0.105,1234 7.122,1235 0.419,1236 4.189,1237 0.103,1238 3.334,1239 4.674,1240 2.95,1241 11.722,1242 2.885,1243 1.923,1244 1.903,1245 2.031,1246 2.057,1247 1.236,1248 2.054,1249 1.861,1250 1.867,1251 1.856,1252 1.99,1253 1.053,1254 2.013,1255 1.637,1256 1.594,1257 1.768,1258 1.852,1259 1.018,1260 1.857,1261 1.538,1262 1.539,1263 1.573,1264 1.676,1265 0.825,1266 1.707,1267 1.153,1268 1.064,1269 1.513,1270 1.398,1271 0.723,1272 1.429,1273 1.107,1274 1.063,1275 1.256,1276 1.376,1277 0.311,1278 1.361,1279 0.886,1280 0.821,1281 1.181,1282 1.099,1283 0.218,1284 1.107,1285 0.792,1286 0.745,1287 1.062,1288 1.062,1289 0.147,1290 1.085,1291 4.043,1293 5.38,1295 6.907,1297 8.511,1299 10.153,1301 0.961,1302 5.935,1307 3.008,1309 2.656,1310 5.325,1313 2.189,1318 28.647,1319 83.843,1320 165.666,1321 190.574,1322 194.574,1323 198.574,1324 198.574,1325 57.887,1326 7.06,1327 101.49,1328 109.87,1329 18,1330 12.369,1331 4,1332 3.322,1333 44.556,1334 105,1335 100,1336 0.209,1337 184.202,1338 320.88,1339 441.213,1340 10738,1341 2.3,1342 18.734,1343 0.721,1344 0.598,1345 19.484,1346 15.548,1347 12.342,1348 0.441,1349 0.36,1350 7.851,1351 10.699,1352 7.48,1353 6.138,1354 13.525,1355 10.081,1356 11.909,1357 0.298,1358 0.201,1359 13.667,1360 8.038,1361 9.127,1362 0.186,1363 0.1,1364 10.229,1365 4.907,1366 7.138,1367 0.121,1368 0.053,1369 7.957,1370 3.134,1371 5.698,1372 0.077,1373 0.029,1374 6.469,1375 2.178,1376 0.332,1377 90.596,1378 0.235,1379 25.346,1380 0.559,1381 136,1382 499.274,1383 202.983,1384 520.323,1385 677.47,1386 478,1387 157,1388 433.212,1389 225.916,1390 476.545,1391 691.17,1392 443,1393 4.99}
{0 CHEMBL1338304,1 1.933,2 13.161,3 3.135,4 9.829,5 117.898,6 9.019,7 0.364,8 4.092,9 4.178,10 4.042,11 3.696,12 5.148,13 3.63,14 4.681,15 4.826,16 4.354,17 4.081,18 6.068,19 4.013,20 4.973,21 5.149,22 4.46,23 4.245,24 6.3,25 4.15,26 5.043,27 5.238,28 4.328,29 4.162,30 6.381,31 4.084,32 4.887,33 5.085,34 4.25,35 4.041,36 6.161,37 3.97,38 4.71,39 4.864,40 4.213,41 4.01,42 6.236,43 3.919,44 4.737,45 4.941,46 3.997,47 3.94,48 5.908,49 3.813,50 4.554,51 4.744,52 3.898,53 3.769,54 5.967,55 3.656,56 0.18,57 0.848,58 13.074,59 5.859,60 33.735,61 6.085,62 0.663,63 1.355,64 24.197,65 9.548,66 100.569,67 10.966,68 0.929,69 1.656,70 43.681,71 13.932,72 121.455,73 15.156,74 1.154,75 1.602,76 46.059,77 13.686,78 172.008,79 14.593,80 1.019,81 1.366,82 39.358,83 10.936,84 155.68,85 12.211,86 0.903,87 1.211,88 29.563,89 10.453,90 135.892,91 11.837,92 0.757,93 1.152,94 33.053,95 10.363,96 112.263,97 12.076,98 0.748,99 1.011,100 29.967,101 8.484,102 108.698,103 9.801,104 67,105 49,106 0.319,107 0.628,108 0.785,109 0.816,110 0.816,111 0.816,112 3.471,113 1.198,114 -2.88,115 -2.89,116 -2.79,119 35.2,120 2,121 2,122 1,125 3,141 4,143 3,144 1,145 1,148 1,156 1,171 5,173 5,174 2,177 1,179 2,182 5,185 5,186 11,189 1,191 2,194 2,199 16,204 1,212 1,213 6,216 1,221 4,225 2,226 6,229 5,234 8,239 3,244 1,247 7,250 3,251 6,256 2,259 2,263 3,264 4,269 1,271 2,274 1564,275 19.891,276 19.891,277 19.891,278 19.891,279 19.891,280 17.796,281 22.025,282 11.106,283 20.782,284 16.093,285 16.093,286 16.093,287 16.093,288 16.093,289 12.648,290 25.047,291 5.107,292 17.448,293 3.822,294 1.946,295 0.991,296 0.806,297 0.806,298 0.806,299 4.142,302 1,306 1,307 851,308 4.528,312 354.083,319 1.973,320 61.105,323 1,324 0.67,325 1,326 0.8,327 0.5,328 0.83,329 1,330 0.83,331 69.333,332 408,333 4.931,334 5.244,335 7.666,336 4.434,337 3.512,338 4.758,339 2.95,340 13.611,341 3.215,342 4.851,343 4.725,344 7.292,345 4.235,346 3.384,347 4.707,348 1.058,349 12.375,350 2.895,351 4.3,352 3.623,353 6.397,354 3.883,355 2.936,356 3.89,357 0.4,358 9.691,359 2.722,360 3.906,361 2.957,362 5.632,363 3.503,364 2.536,365 3.452,367 7.289,368 2.448,369 3.483,370 2.709,371 5.365,372 3.378,373 2.402,374 2.695,376 6.646,377 2.342,378 3.381,379 2.692,380 5.005,381 2.951,382 1.997,383 2.483,385 5.745,386 1.865,387 3.12,388 2.487,389 4.859,390 2.748,391 1.795,392 2.306,394 5.122,395 1.683,396 3.051,397 2.121,398 4.739,399 2.48,400 1.615,401 2.223,403 4.718,404 1.347,405 2.652,406 1.448,407 4.22,408 2.29,409 1.326,410 1.625,412 3.738,413 1.269,414 2.536,415 1.444,416 3.798,417 2,418 1.012,419 1.5,421 2.671,422 1,423 2.5,424 1.117,425 3.414,426 1.984,427 1,428 1.485,430 2.275,431 0.983,432 2,433 1.077,434 3.414,435 1.968,436 1,437 1,439 2.275,440 0.959,441 1.541,442 1,443 3.191,444 1.353,445 0.398,446 0.433,448 0.539,449 0.37,450 1.311,451 0.621,452 3.002,453 0.928,454 0.01,455 0.013,457 0.025,458 0.008,459 1.235,460 0.447,461 2.74,462 0.764,463 -0.179,464 -0.209,466 -0.408,467 -0.146,468 15.148,469 0.489,470 1.131,471 0.036,472 40,473 1.29,474 20,475 0.645,476 20,477 0.645,478 28.337,479 0.914,480 35.252,481 0.653,482 33.84,483 1.092,484 6.963,485 0.225,486 7.578,487 0.244,488 0.223,489 0.11,490 0.257,493 0.484,494 1.517,495 0.757,496 1.318,497 0.625,498 0.998,499 0.562,500 1.193,501 0.756,502 0.987,503 0.538,504 0.915,505 0.826,506 1.134,507 1.084,508 1.177,509 0.792,510 1.004,511 1.321,512 1.012,513 0.984,514 0.971,515 1.327,516 0.93,517 1.309,518 0.787,519 0.766,520 0.711,521 1.389,522 0.801,523 0.614,524 1.056,525 0.985,526 1.108,527 0.663,528 1.119,529 1.138,530 0.949,531 1.044,532 0.874,533 1.078,534 1.038,535 0.943,536 0.993,537 1.233,538 1.046,539 0.746,540 1.067,541 9.5,542 0.219,543 5.778,544 2.813,545 1.898,546 1.639,547 0.689,548 0.55,549 0.361,550 0.306,551 12763,552 43964,553 1.942,554 42.6,555 4,556 10,558 1,559 1,561 7,564 1.733,565 1.755,566 3.639,567 -0.201,569 1,573 104.402,574 1.933,575 3.809,576 4.764,577 4.949,578 4.949,579 4.949,580 3.1,581 4.414,582 4.927,583 3.825,584 1778.67,585 8.586,586 25878.4,591 310.764,592 1.789,593 4.832,594 0.288,595 0.008,596 0.118,597 0.053,598 0.041,599 0.04,600 0.017,601 0.018,602 0.012,603 0.011,604 0.607,605 0.33,606 0.75,607 0.984,608 162.799,609 0.087,610 -0.226,611 0.193,612 -0.107,613 -0.108,614 0.007,615 0.23,616 -0.052,617 0.103,618 0.021,619 0.216,620 0.042,621 0.077,622 -0.059,623 -0.037,624 -0.088,625 0.087,626 -0.014,627 -0.191,628 -0.05,629 -0.051,630 -0.01,631 -0.124,632 0.023,633 -0.195,634 0.159,635 0.079,636 0.161,637 -0.223,638 0.134,639 0.314,640 -0.039,641 -0.032,642 -0.128,643 0.255,644 -0.14,645 -0.186,646 -0.047,647 -0.064,648 0.022,649 -0.171,650 -0.044,651 0.026,652 -0.007,653 -0.143,654 -0.069,655 0.135,656 -0.086,657 4.629,658 5.801,659 0.581,660 31.886,661 1.025,662 1.129,663 1.653,664 2.731,665 0.686,666 3.526,667 3.912,668 4.143,669 4.277,670 4.489,671 4.585,672 4.564,673 4.543,674 4.554,675 4.682,676 7.59,677 0.651,678 487.05,679 3.526,680 5.106,681 5.958,682 6.851,683 7.723,684 8.616,685 9.493,686 10.387,687 11.265,688 12.161,689 7.4,692 1,696 1,699 2,707 5,708 2,712 5,714 12,720 1,732 1,733 54,735 17,736 1,737 33,739 56,740 19,741 10,742 2,743 4,744 1,747 3,748 3,749 1,753 2,757 2,758 1,760 2,762 11,763 8,764 1,766 5,769 2,771 5,775 1,782 23,783 9,784 1,785 12,786 3,791 4,796 1,797 5,810 1,816 3,845 3,848 2,850 2,851 1,854 31,857 1,858 1,862 5,864 1,867 1,868 1,877 1,878 9.3,881 5,885 17.667,886 10.16,887 6.681,888 3.361,890 2.453,891 1.332,892 0.966,893 7.142,894 9.847,895 3.807,896 4.454,897 4.909,898 5.329,899 5.825,900 6.118,901 6.298,902 6.397,903 6.516,904 6.909,905 0.889,906 53,907 12.058,909 5.8,910 8.219,911 21.512,913 18.224,915 2.719,916 84.278,920 258.964,921 102.599,922 53.1,923 39.149,924 113.771,926 11.853,927 90.746,928 411.884,929 53.1,930 17.65,931 28.191,932 49.758,933 163.818,934 21.131,935 0.693,936 247.193,937 39.149,938 258.964,939 143.846,940 113.771,941 51.002,943 176.567,944 196.169,947 59.857,948 50.418,949 84.573,951 258.964,952 166.871,953 141.748,955 11.853,956 258.964,957 26.143,958 66.121,959 18.011,960 186.491,961 258.964,962 166.871,963 141.748,965 0.605,966 0.355,967 0.16,968 0.085,969 23,970 12,971 0.107,972 6,974 1,975 4.041,976 272.742,978 18,979 141.58,984 2,985 23.773,986 9.313,987 5.307,989 166.871,990 6.794,991 7.466,995 -0.432,997 18.011,998 567.583,999 44,1002 -7.315,1004 62.086,1008 -0.736,1011 55.356,1012 60.976,1013 0.336,1014 0.662,1015 0.828,1016 0.86,1017 0.86,1018 0.86,1019 5.088,1020 1.615,1021 6.033,1022 5.122,1023 4.595,1024 5.142,1025 3.043,1026 6.94,1027 4.44,1028 6.364,1029 1.326,1030 7.682,1031 4.718,1032 4.575,1033 5.466,1035 8.367,1036 4.277,1037 7.759,1038 1.012,1039 9.452,1040 3.738,1041 6.375,1042 7.541,1043 5.044,1044 11.383,1045 6.031,1046 9.198,1047 1,1048 11.295,1049 2.671,1050 7.124,1051 8.639,1053 13.591,1054 6.617,1055 10.674,1056 1,1057 13.186,1058 2.275,1059 8.515,1060 10.336,1061 7.187,1062 16.275,1063 7.949,1064 12.176,1065 0.398,1066 15.11,1067 2.275,1068 9.559,1069 11.712,1071 18.733,1072 8.839,1073 13.697,1074 0.01,1075 17.058,1076 0.539,1077 10.829,1078 13.303,1079 9.348,1080 21.339,1081 10.03,1082 3.512,1083 -0.179,1084 19.022,1085 0.025,1086 11.987,1087 14.781,1089 23.878,1090 11.052,1091 3.384,1092 13.611,1093 21,1094 -0.408,1095 13.224,1096 16.341,1097 11.511,1098 26.466,1099 12.197,1100 2.936,1101 12.375,1102 22.987,1103 4.758,1104 14.427,1105 17.86,1107 29.036,1108 13.279,1109 2.536,1110 9.691,1111 24.981,1112 4.707,1113 15.658,1114 19.412,1115 13.675,1116 31.622,1117 14.412,1118 2.402,1119 7.289,1120 26.982,1121 3.89,1122 16.88,1123 20.948,1125 34.204,1126 15.525,1127 1.997,1128 6.646,1129 28.986,1130 3.452,1131 18.112,1132 22.499,1133 15.838,1134 36.794,1135 16.659,1136 1.795,1137 5.745,1138 30.995,1139 2.695,1140 19.343,1141 24.044,1143 39.382,1144 17.788,1145 12614,1146 23754,1147 20.572,1148 37.063,1149 49.836,1150 54.324,1151 52.84,1152 50.068,1153 49.846,1154 65.141,1155 8.817,1156 153.44,1157 46.21,1158 5.931,1159 7.244,1160 7.08,1161 5.522,1162 5.512,1163 7.758,1164 5.9,1165 21.571,1166 5.215,1167 20.875,1168 1.51,1169 1.646,1170 1.601,1171 1.517,1172 1.51,1173 1.974,1174 0.267,1175 4.65,1176 1.4,1177 4.115,1178 4.106,1179 4.749,1180 4.087,1181 7.718,1182 4.003,1183 4.047,1184 4.022,1185 4.732,1186 4.031,1187 7.711,1188 3.917,1189 3.829,1190 3.877,1191 3.961,1192 3.714,1193 7.429,1194 3.703,1195 3.71,1196 3.71,1197 3.736,1198 3.611,1199 6.999,1200 3.58,1201 3.573,1202 3.573,1203 3.634,1204 3.488,1205 6.999,1206 3.423,1207 3.232,1208 3.289,1209 3.272,1210 2.997,1211 5.022,1212 3.01,1213 3.13,1214 3.206,1215 3.074,1216 2.941,1217 4.709,1218 2.91,1219 3.111,1220 3.188,1221 2.918,1222 2.933,1223 4.439,1224 2.903,1225 0.149,1226 0.159,1227 0.232,1228 0.134,1229 0.106,1230 4.931,1231 0.144,1232 5.244,1233 0.089,1234 7.666,1235 0.412,1236 4.434,1237 0.097,1238 3.512,1239 4.758,1240 2.95,1241 13.611,1242 3.215,1243 1.983,1244 1.986,1245 2.065,1246 2.083,1247 1.445,1248 2.115,1249 1.887,1250 1.906,1251 1.98,1252 2.015,1253 1.203,1254 2.04,1255 1.823,1256 1.773,1257 1.83,1258 1.949,1259 1.16,1260 1.977,1261 1.606,1262 1.599,1263 1.721,1264 1.755,1265 0.825,1266 1.778,1267 1.436,1268 1.447,1269 1.574,1270 1.612,1271 0.815,1272 1.647,1273 1.155,1274 1.094,1275 1.513,1276 1.424,1277 0.772,1278 1.432,1279 1.153,1280 1.064,1281 1.265,1282 1.376,1283 0.502,1284 1.429,1285 1.082,1286 1.027,1287 1.181,1288 1.299,1289 0.409,1290 1.352,1291 4.205,1293 5.572,1295 7.135,1297 8.775,1299 10.454,1301 3.541,1302 5.966,1307 2.39,1309 2.543,1312 0.505,1313 1.469,1318 35.129,1319 104.402,1320 205.667,1321 257.254,1322 267.254,1323 267.254,1324 267.254,1325 105.515,1326 7.394,1327 126.4,1328 143.16,1329 18,1330 12.689,1331 4.17,1332 3.585,1333 58.53,1334 144,1335 141,1336 0.2,1337 228.106,1338 400.08,1339 548.339,1340 16368,1341 1.9,1342 22.811,1343 0.736,1344 0.628,1345 23.811,1346 19.466,1347 14.541,1348 0.441,1349 0.399,1350 9.869,1351 12.076,1352 9.317,1353 7.713,1354 16.439,1355 13.182,1356 14.202,1357 0.29,1358 0.242,1359 17.267,1360 11.835,1361 11.677,1362 0.188,1363 0.142,1364 14.516,1365 8.79,1366 8.329,1367 0.117,1368 0.076,1369 10.331,1370 5.412,1371 6.415,1372 0.073,1373 0.047,1374 8.172,1375 4.123,1376 0.321,1377 110.919,1378 0.22,1379 29.356,1380 0.533,1381 164,1382 579.87,1383 275.64,1384 621.494,1385 811.11,1386 564,1387 193,1388 506.136,1389 313.16,1390 587.555,1391 859.5,1392 548,1393 5.065}
{0 CHEMBL1338958,1 1.633,2 11.1,3 4.613,4 21.278,5 115.744,6 7.174,7 0.355,8 4.174,9 4.287,10 3.824,11 3.679,12 5.217,13 3.62,14 4.754,15 4.936,16 4.169,17 4.039,18 5.952,19 3.981,20 5.004,21 5.182,22 4.2,23 4.204,24 6.162,25 4.111,26 5.182,27 5.435,28 4.258,29 4.23,30 6.263,31 4.129,32 5.117,33 5.335,34 4.249,35 4.138,36 6.34,37 4.071,38 5.003,39 5.183,40 4.192,41 4.083,42 6.288,43 4.031,44 4.984,45 5.176,46 4.129,47 4.085,48 6.148,49 4.02,50 5.038,51 5.24,52 3.932,53 4.091,54 6.337,55 3.984,56 0.107,57 0.865,58 16.684,59 6.518,60 19.96,61 8.058,62 0.59,63 1.314,64 30.44,65 10.083,66 78.52,67 13.535,68 0.848,69 1.597,70 37.14,71 12.223,72 99.465,73 16.286,74 0.647,75 1.781,76 46.248,77 13.508,78 85.885,79 19.1,80 1.118,81 1.629,82 48.151,83 11.531,84 134.003,85 15.526,86 0.947,87 1.474,88 42.944,89 11.134,90 132.36,91 13.875,92 0.756,93 1.484,94 42.051,95 10.943,96 113.443,97 14.223,98 1.164,99 1.523,100 40.369,101 10.918,102 171.108,103 15.138,104 112,105 46,106 0.266,107 0.538,108 0.716,109 0.789,110 0.81,111 0.81,112 3.44,113 1.122,114 -4.48,115 -4.41,116 -4.15,119 34.4,120 7,121 1,122 1,125 1,127 1,130 1,141 3,142 3,157 1,159 1,160 1,164 1,171 11,173 4,174 3,177 2,179 1,182 15,185 4,186 4,189 2,191 2,194 8,198 2,199 16,202 1,204 4,207 2,212 4,213 19,221 1,225 2,226 17,229 2,234 3,239 17,244 1,247 7,250 4,251 7,256 2,259 7,264 2,269 3,271 8,274 1494,275 18.582,276 18.582,277 18.582,278 18.582,279 18.582,280 16.767,281 21.566,282 10.502,283 19.093,284 15.203,285 15.203,286 15.203,287 15.203,288 15.203,289 12.371,290 28.164,291 4.909,292 16.055,293 4.298,294 2.627,295 1.535,296 1.087,297 0.956,298 0.956,299 4.091,305 1,306 1,307 668,308 5.244,311 98.967,312 119.248,319 1.773,320 45.289,323 1,324 1,325 0.83,326 1,327 1,328 1,329 1,330 0.98,331 66.5,332 333,333 4.869,334 5.263,335 7.318,336 4.283,337 3.415,338 4.722,339 3.272,340 12.561,341 3,342 4.226,343 3.775,344 6.484,345 4.077,346 3.139,347 3.865,348 2.187,349 10.203,350 2.928,351 4.179,352 3.282,353 6.421,354 3.935,355 2.965,356 3.576,357 0.599,358 9.944,359 2.871,360 4.096,361 3.161,362 6.055,363 3.779,364 2.793,365 3.202,366 0.232,367 8.67,368 2.693,369 3.545,370 3.056,371 5.213,372 3.161,373 2.195,374 2.756,376 6.303,377 2.118,378 3.431,379 2.661,380 4.92,381 3.072,382 2.081,383 2.706,385 5.659,386 2.054,387 3.326,388 2.312,389 4.885,390 3.045,391 2.059,392 2.419,394 5.571,395 2.001,396 2.859,397 2.038,398 4.673,399 2.494,400 1.523,401 1.987,403 4.352,404 1.475,405 2.748,406 1.562,407 4.152,408 2.331,409 1.352,410 1.797,412 3.654,413 1.316,414 2.196,415 1.294,416 3.697,417 1.742,418 0.794,419 1.055,421 2.058,422 0.746,423 1.934,424 0.85,425 3.283,426 1.62,427 0.639,428 0.821,430 1.582,431 0.625,432 1.541,433 0.697,434 3.153,435 1.261,436 0.268,437 0.326,439 0.616,440 0.265,441 1.174,442 0.596,443 2.97,444 1.133,445 0.152,446 0.153,448 0.216,449 0.148,450 1,451 0.435,452 2.583,453 0.669,454 -0.296,455 -0.358,457 -0.817,458 -0.279,459 1,460 0.254,461 2.371,462 0.546,463 -0.373,464 -0.405,466 -1.093,467 -0.337,468 14.2,469 0.473,470 1.266,471 0.042,472 32.75,473 1.092,474 14.5,475 0.483,476 18.25,477 0.608,478 34.355,479 1.145,480 35.6,481 0.584,482 27.396,483 0.913,484 5.849,485 0.195,486 7.971,487 0.266,488 0.317,489 0.094,490 0.282,493 0.621,494 1.423,495 0.895,496 1.397,497 0.669,498 1.163,499 0.517,500 1.13,501 0.769,502 1.104,503 0.481,504 0.912,505 1.087,506 1.174,507 1.019,508 1.087,509 0.969,510 1.171,511 0.894,512 1.07,513 0.78,514 0.928,515 0.775,516 0.877,517 1.532,518 0.932,519 1.235,520 0.946,521 1.523,522 0.846,523 1.839,524 1.062,525 1.421,526 1.097,527 1.873,528 0.964,529 1.681,530 1.158,531 1.345,532 1.157,533 1.705,534 1.022,535 1.46,536 1.061,537 1.336,538 1.037,539 1.223,540 1.197,541 10.5,542 0.19,543 4.444,544 2.715,545 2.393,546 1.292,547 1.16,548 0.659,549 0.335,550 0.344,551 10140,552 27127,553 1.852,554 50.8,555 14,556 6,559 1,561 10,564 1.731,565 1.651,566 3.413,567 -0.283,573 99.592,574 1.633,575 3.304,576 4.396,577 4.844,578 4.975,579 4.975,580 2.879,581 4.415,582 4.878,583 3.648,584 1586.77,585 8.527,586 22230,588 1,591 361.775,592 1.826,593 4.76,594 0.339,595 0.007,596 0.097,597 0.062,598 0.051,599 0.029,600 0.026,601 0.016,602 0.01,603 0.015,604 0.651,605 0.17,606 1,607 1.703,608 154.133,609 0.077,610 -0.074,611 0.186,612 -0.072,613 -0.115,614 -0.014,615 0.385,616 0.001,617 0.253,618 0.018,619 0.293,620 0.141,621 0.061,622 -0.093,623 -0.074,624 -0.069,625 -0.024,626 -0.171,627 0.046,628 -0.083,629 0.182,630 0.009,631 0.081,632 0.087,633 -0.091,634 0.106,635 -0.031,636 0.067,637 -0.083,638 0.067,639 -0.22,640 0.005,641 -0.165,642 -0.008,643 -0.161,644 -0.03,645 -0.287,646 -0.088,647 -0.163,648 -0.078,649 -0.231,650 -0.064,651 -0.108,652 -0.023,653 -0.354,654 -0.109,655 0.055,656 -0.272,657 4.756,658 5.842,659 0.367,660 30.08,661 1.006,662 1.136,663 3.251,664 10.567,665 0.633,666 3.466,667 3.85,668 3.97,669 4.19,670 4.317,671 4.382,672 4.407,673 4.431,674 4.357,675 4.407,676 6.877,677 0.593,678 437.62,679 3.466,680 5.043,681 5.861,682 6.763,683 7.605,684 8.506,685 9.361,686 10.26,687 11.123,688 12.021,689 4.9,696 1,699 2,707 3,708 2,710 1,712 5,714 11,733 61,735 14,736 1,737 31,739 62,740 21,741 8,742 3,743 3,747 2,748 2,753 7,760 2,762 9,763 12,764 2,766 3,769 1,771 3,775 1,779 1,782 31,783 8,784 1,785 9,786 1,791 3,796 1,797 5,815 1,816 1,842 1,845 2,848 1,850 7,854 30,857 1,862 2,864 1,865 1,867 2,869 1,878 8.2,881 3,883 2,885 18.167,886 13.067,887 6.417,888 3.751,890 2.005,891 1.289,892 0.899,893 7.703,894 8.943,895 3.701,896 4.314,897 4.683,898 5.19,899 5.562,900 5.778,901 5.838,902 6.168,903 6.241,904 6.419,905 1,906 44,907 11.47,909 5.118,910 7.978,911 21.013,913 16.964,915 2.478,916 74.333,919 1,920 353.133,921 124.41,922 51.337,924 89.965,926 6.046,927 118.364,928 443.098,929 51.337,930 61.776,931 21.445,932 34.475,933 107.804,934 33.449,935 6.763,936 353.133,938 353.133,939 169.701,940 89.965,941 6.046,943 235.422,944 207.676,947 91.627,948 44.748,949 39.372,951 353.133,952 141.302,953 124.41,955 6.046,956 353.133,957 28.159,958 90.205,959 18.011,960 123.291,961 353.133,962 141.302,963 124.41,965 0.602,966 0.317,967 0.158,968 0.085,969 20,970 12,971 0.145,972 9,974 1,975 3.832,976 254.705,978 11,979 140.452,984 1,985 24.361,986 9.486,987 6.807,989 141.302,990 5.634,991 7.676,993 5.526,995 2.093,997 18.011,998 618.845,999 39.5,1002 -3.839,1004 37.92,1008 -0.634,1011 61.389,1012 69.275,1013 0.275,1014 0.557,1015 0.741,1016 0.817,1017 0.839,1018 0.839,1019 4.989,1020 1.523,1021 5.953,1022 5.571,1023 4.533,1024 5.001,1025 3.45,1026 6.832,1027 4.424,1028 6.26,1029 1.352,1030 7.577,1031 4.352,1032 4.575,1033 5.239,1034 1.784,1035 8.164,1036 4.375,1037 7.631,1038 0.794,1039 9.31,1040 3.654,1041 6.293,1042 7.281,1043 5.57,1044 11.108,1045 6.036,1046 9.035,1047 0.639,1048 11.106,1049 2.058,1050 7.031,1051 8.259,1052 3.59,1053 13.164,1054 6.661,1055 10.469,1056 0.268,1057 12.941,1058 1.582,1059 8.369,1060 9.929,1061 7.86,1062 15.768,1063 7.931,1064 11.924,1065 0.152,1066 14.803,1067 0.616,1068 9.371,1069 11.216,1070 5.291,1071 18.09,1072 8.815,1073 13.396,1074 -0.296,1075 16.686,1076 0.216,1077 10.596,1078 12.78,1079 10.2,1080 20.607,1081 9.957,1082 3.415,1083 -0.373,1084 18.584,1085 -0.817,1086 11.705,1087 14.204,1088 6.934,1089 23.035,1090 10.947,1091 3.139,1092 12.561,1093 20.494,1094 -1.093,1095 12.898,1096 15.741,1097 12.558,1098 25.536,1099 12.044,1100 2.965,1101 10.203,1102 22.415,1103 4.722,1104 14.053,1105 17.228,1106 8.544,1107 28.011,1108 13.08,1109 2.793,1110 9.944,1111 24.344,1112 3.865,1113 15.24,1114 18.761,1115 14.924,1116 30.514,1117 14.161,1118 2.195,1119 8.67,1120 26.281,1121 3.576,1122 16.416,1123 20.278,1124 10.136,1125 33.012,1126 15.217,1127 2.081,1128 6.303,1129 28.224,1130 3.202,1131 17.606,1132 21.815,1133 17.292,1134 35.523,1135 16.294,1136 2.059,1137 5.659,1138 30.173,1139 2.756,1140 18.795,1141 23.347,1142 11.717,1143 38.034,1144 17.36,1145 10483,1146 17431,1147 18.493,1148 38.597,1149 47.319,1150 49.743,1151 49.285,1152 46.872,1153 46.75,1154 58.767,1155 12.581,1156 142.779,1157 44.477,1158 5.798,1159 7.263,1160 6.861,1161 5.419,1162 5.415,1163 7.722,1164 6.545,1165 20.056,1166 5,1167 22.66,1168 1.526,1169 1.605,1170 1.59,1171 1.512,1172 1.508,1173 1.896,1174 0.406,1175 4.606,1176 1.435,1177 4.111,1178 4.093,1179 4.746,1180 4.075,1181 7.715,1182 3.994,1183 3.902,1184 3.932,1185 3.856,1186 3.813,1187 7.435,1188 3.787,1189 3.797,1190 3.814,1191 3.796,1192 3.672,1193 6.999,1194 3.645,1195 3.702,1196 3.748,1197 3.599,1198 3.549,1199 5.213,1200 3.543,1201 3.481,1202 3.519,1203 3.425,1204 3.254,1205 4.721,1206 3.267,1207 3.316,1208 3.382,1209 3.224,1210 3.161,1211 4.568,1212 3.139,1213 3.284,1214 3.333,1215 3.116,1216 2.976,1217 4.244,1218 3.028,1219 3.129,1220 3.228,1221 2.863,1222 2.89,1223 3.995,1224 2.88,1225 0.157,1226 0.17,1227 0.236,1228 0.138,1229 0.11,1230 4.869,1231 0.152,1232 5.263,1233 0.106,1234 7.318,1235 0.405,1236 4.283,1237 0.097,1238 3.415,1239 4.722,1240 3.272,1241 12.561,1242 3,1243 1.983,1244 1.979,1245 2.073,1246 2.049,1247 1.322,1248 2.08,1249 1.789,1250 1.752,1251 2.005,1252 1.973,1253 1.302,1254 1.979,1255 1.691,1256 1.71,1257 1.945,1258 1.884,1259 1.118,1260 1.905,1261 1.68,1262 1.639,1263 1.665,1264 1.792,1265 0.976,1266 1.843,1267 1.357,1268 1.292,1269 1.642,1270 1.626,1271 0.788,1272 1.624,1273 1.329,1274 1.258,1275 1.52,1276 1.527,1277 0.735,1278 1.575,1279 1.131,1280 1.039,1281 1.456,1282 1.42,1283 0.543,1284 1.455,1285 0.981,1286 0.962,1287 1.417,1288 1.343,1289 0.469,1290 1.308,1291 4.143,1293 5.509,1294 2.398,1295 7.031,1296 4.595,1297 8.625,1298 6.629,1299 10.258,1301 12.882,1307 0.461,1309 2.719,1310 5.304,1312 -0.741,1314 -0.668,1318 36.2,1319 99.592,1320 201.519,1321 268.152,1322 295.471,1323 303.471,1324 303.471,1325 107.232,1326 6.938,1327 111.39,1328 119.77,1329 11,1330 12.551,1331 3.907,1332 3.248,1333 69.037,1334 124,1335 106,1336 0.275,1337 231.353,1338 404.96,1339 556.262,1340 8456,1342 22.69,1343 0.756,1344 0.649,1345 22.94,1346 19.461,1347 13.82,1348 0.446,1349 0.374,1350 9.942,1351 12.477,1352 9.232,1353 7.874,1354 14.641,1355 11.591,1356 14.273,1357 0.31,1358 0.228,1359 15.574,1360 10.472,1361 9.607,1362 0.185,1363 0.117,1364 10.685,1365 6.078,1366 7.678,1367 0.118,1368 0.062,1369 8.713,1370 4.033,1371 5.579,1372 0.075,1373 0.038,1374 6.651,1375 2.832,1376 0.43,1377 95.6,1378 0.233,1379 28.22,1380 0.761,1381 154,1382 505.161,1383 213.308,1384 496.96,1385 658.55,1386 454,1387 175,1388 458.683,1389 239.688,1390 493.004,1391 709.95,1392 454,1393 4.818}
{0 CHEMBL1340014,1 1.655,2 9.4,3 3.123,4 9.75,5 99.953,6 8.034,7 0.379,8 3.919,9 4.037,10 3.578,11 3.507,12 4.963,13 3.471,14 4.507,15 4.673,16 4.013,17 3.96,18 5.48,19 3.911,20 4.814,21 5.045,22 4.01,23 4.074,24 5.752,25 3.964,26 4.803,27 5.058,28 3.962,29 3.975,30 5.789,31 3.869,32 4.651,33 4.864,34 3.99,35 3.909,36 5.751,37 3.808,38 4.581,39 4.814,40 3.789,41 3.793,42 5.619,43 3.675,44 4.447,45 4.694,46 3.689,47 3.665,48 5.473,49 3.564,50 4.302,51 4.509,52 3.549,53 3.608,54 5.379,55 3.516,56 0.06,57 0.727,58 9.214,59 4.175,60 7.736,61 5.223,62 0.191,63 1.249,64 17.598,65 6.863,66 16.353,67 9.418,68 0.314,69 1.535,70 27.907,71 10.007,72 36.253,73 13.64,74 0.379,75 1.471,76 30.684,77 10.016,78 46.924,79 13.179,80 0.407,81 1.377,82 29.319,83 8.572,84 49.857,85 10.303,86 0.347,87 1.258,88 27.919,89 7.844,90 43.746,91 9.645,92 0.282,93 1.057,94 23.423,95 6.88,96 39.241,97 8.673,98 0.237,99 0.897,100 17.616,101 5.968,102 34.247,103 7.3,104 5,105 43,106 0.286,107 0.622,108 0.777,109 0.864,110 0.895,111 0.903,112 3.268,113 0.955,114 -5.24,115 -5.13,116 -4.8,119 40.9,121 4,122 2,125 1,127 1,141 4,142 2,153 1,156 1,159 1,160 1,164 2,171 12,173 3,174 5,182 14,185 3,186 9,194 4,198 3,199 11,212 3,213 13,225 1,226 12,239 12,247 2,251 8,259 7,264 2,271 11,274 824,275 17.24,276 17.24,277 17.24,278 17.24,279 17.24,280 15.641,281 13.607,282 9.881,283 17.549,284 14.321,285 14.321,286 14.321,287 14.321,288 14.321,289 11.827,290 13.489,291 4.694,292 14.844,293 3.804,294 1.857,295 0.955,296 0.455,297 0.273,298 0.227,299 3.979,304 1,305 1,306 1,307 539,308 2.449,311 161.997,312 182.865,316 102.298,319 1.296,320 21.893,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 53.5,332 235,333 4.511,334 3.901,335 6.899,336 4.212,337 3.267,338 4.12,339 1.081,340 11.568,341 3.116,342 4.414,343 3.714,344 6.626,345 4.094,346 3.102,347 4.009,348 0.473,349 10.505,350 3.069,351 3.891,352 3.12,353 6.019,354 3.728,355 2.769,356 2.957,358 8.692,359 2.633,360 3.625,361 2.745,362 5.675,363 3.327,364 2.36,365 2.863,367 7.491,368 2.276,369 3.229,370 2.613,371 5.072,372 2.875,373 1.886,374 2.392,376 5.875,377 1.862,378 3.08,379 2.239,380 4.941,381 2.787,382 1.83,383 2.256,385 5.342,386 1.752,387 2.955,388 1.943,389 4.657,390 2.606,391 1.672,392 1.999,394 4.663,395 1.549,396 2.822,397 1.597,398 4.488,399 2.448,400 1.472,401 1.934,403 4.249,404 1.428,405 2.581,406 1.487,407 3.718,408 2.388,409 1.4,410 1.59,412 3.045,413 1.375,414 2.474,415 1.318,416 3.66,417 1.891,418 0.879,419 1.347,421 2.165,422 0.883,423 2.119,424 1.073,425 3.489,426 1.817,427 0.845,428 1.037,430 2.08,431 0.819,432 1.898,433 0.869,434 3.258,435 1.581,436 0.595,437 0.632,439 1.512,440 0.585,441 1.614,442 0.745,443 3.123,444 1.334,445 0.366,446 0.484,448 0.947,449 0.35,450 1.03,451 0.488,452 2.645,453 0.768,454 -0.207,455 -0.238,457 -0.529,458 -0.195,459 0.863,460 -0.077,461 2.427,462 0.496,463 -0.467,464 -0.574,466 -1.147,467 -0.448,468 12.167,469 0.487,470 0.64,471 0.026,472 30.25,473 1.21,474 13.5,475 0.54,476 16.75,477 0.67,478 22.782,479 0.911,480 26.233,481 0.596,482 19.665,483 0.787,484 5.349,485 0.214,486 6.855,487 0.274,488 0.096,490 0.395,493 0.583,494 1.188,495 0.788,496 1.021,497 0.496,498 0.93,499 0.616,500 1.194,501 0.688,502 0.977,503 0.482,504 0.981,505 0.805,506 1.032,507 0.814,508 0.956,509 0.636,510 1.037,511 1.137,512 0.903,513 0.82,514 0.806,515 1.137,516 0.834,517 1.322,518 1.225,519 1.351,520 1.183,521 1.339,522 1.003,523 1.369,524 1.152,525 1.414,526 1.182,527 1.139,528 1.035,529 1.318,530 0.902,531 1.037,532 0.875,533 1.1,534 0.798,535 1.7,536 0.808,537 1.066,538 0.83,539 1.985,540 0.901,541 4.5,542 0.056,543 3.111,544 1.91,545 1.338,546 0.764,547 0.56,548 0.303,549 0.273,550 0.127,551 7526,552 17836,553 2.225,554 43.2,555 7,556 7,558 1,559 1,561 3,564 1.682,565 2.113,566 3.207,567 -0.277,568 1,569 1,573 72.836,574 1.655,575 3.602,576 4.505,577 5.005,578 5.187,579 5.232,580 2.615,581 4.404,582 4.621,583 3.331,584 999.355,585 7.998,586 11693.1,588 1,590 1,591 240.215,592 1.311,593 4.59,594 0.155,595 0.005,596 0.072,597 0.049,598 0.036,599 0.021,600 0.019,601 0.011,602 0.011,603 0.007,604 0.387,605 0.33,606 0.88,607 0.477,608 118.641,609 0.133,610 -0.046,611 -0.006,612 -0.071,613 0.061,614 -0.01,615 0.171,616 -0.123,617 0.047,618 -0.104,619 0.098,620 -0.06,621 0.085,622 -0.062,623 0.03,624 -0.063,625 0.127,626 -0.076,627 0.008,628 0.044,629 0.132,630 0.113,631 0.017,632 0.129,633 -0.026,634 -0.135,635 -0.109,636 -0.091,637 -0.055,638 -0.068,639 -0.172,640 -0.075,641 -0.188,642 -0.111,643 -0.072,644 -0.094,645 -0.157,646 0.113,647 0.063,648 0.126,649 -0.006,650 0.158,651 -0.337,652 0.187,653 -0.112,654 0.122,655 -0.29,656 0.034,657 1.763,658 5.724,659 0.88,660 17.318,661 1.002,662 1.126,663 4.015,664 16.119,665 0.692,666 3.401,667 3.784,668 4.143,669 4.477,670 4.663,671 4.745,672 4.89,673 5.024,674 5.118,675 5.159,676 5.573,677 0.652,678 353.49,679 3.401,680 4.977,681 5.872,682 6.786,683 7.694,684 8.611,685 9.523,686 10.44,687 11.355,688 12.273,689 11.4,696 1,697 1,698 1,699 2,707 4,708 2,712 4,713 1,714 11,733 44,735 13,736 1,737 29,739 48,740 18,741 8,742 2,743 4,744 2,747 5,748 7,750 1,757 5,758 2,760 5,762 10,763 8,764 2,766 2,771 1,773 1,774 1,775 1,778 1,779 1,782 19,783 5,785 7,786 1,791 5,796 0.6,797 1,815 3,816 3,820 1,845 3,848 1,854 25,862 5,863 1,867 3,868 1,875 1,878 2.3,881 1,885 11.833,886 7.783,887 5.278,888 2.849,890 2.73,891 1.348,892 1.01,893 3.631,894 10.58,895 3.624,896 4.201,897 4.789,898 5.336,899 5.711,900 5.918,901 6.273,902 6.578,903 6.909,904 7.13,905 1,906 39,907 9.29,909 4.173,910 7.622,911 18.17,913 16.236,915 2.122,916 53.056,919 1,920 222.698,921 111.857,922 54.89,924 25.145,926 38.564,927 73.293,928 247.843,929 54.89,931 15.246,932 37.905,933 97.14,934 25.626,936 238.672,938 222.698,939 128.183,940 25.145,941 38.564,943 187.385,944 60.458,947 36.829,948 48.981,949 42.373,950 38.564,951 222.698,952 80.035,953 111.857,956 222.698,957 26.341,958 51.853,960 113.698,961 222.698,962 80.035,963 111.857,965 0.596,966 0.366,967 0.209,968 0.106,969 25,970 10,971 0.063,972 3,973 3,974 1.227,975 3.748,976 227.038,977 0.273,978 21,979 116.096,980 1,985 15.45,986 5.875,987 2.498,989 78.136,990 7.516,991 8.464,995 2.941,996 2.135,998 414.59,999 36.5,1004 12.724,1006 1.733,1007 4.325,1008 -0.096,1011 44.098,1012 49.527,1013 0.303,1014 0.66,1015 0.825,1016 0.917,1017 0.95,1018 0.958,1019 4.911,1020 1.472,1021 5.878,1022 4.663,1023 4.466,1024 4.887,1025 1.331,1026 6.753,1027 4.399,1028 6.105,1029 1.4,1030 7.474,1031 4.249,1032 4.111,1033 4.649,1035 7.751,1036 3.996,1037 7.416,1038 0.879,1039 9.169,1040 3.045,1041 6.12,1042 7.001,1043 1.343,1044 10.903,1045 5.986,1046 8.761,1047 0.845,1048 10.924,1049 2.165,1050 6.621,1051 7.643,1053 12.75,1054 6.443,1055 10.143,1056 0.595,1057 12.717,1058 2.08,1059 8.09,1060 9.449,1061 1.438,1062 15.414,1063 7.889,1064 11.55,1065 0.366,1066 14.537,1067 1.512,1068 8.965,1069 10.495,1071 17.598,1072 8.724,1073 12.976,1074 -0.207,1075 16.376,1076 0.947,1077 10.234,1078 12.08,1079 1.555,1080 20.102,1081 9.966,1082 3.267,1083 -0.467,1084 18.23,1085 -0.529,1086 11.272,1087 13.316,1089 22.424,1090 10.965,1091 3.102,1092 11.568,1093 20.096,1094 -1.147,1095 12.467,1096 14.804,1097 1.679,1098 24.874,1099 12.131,1100 2.769,1101 10.505,1102 21.971,1103 4.12,1104 13.573,1105 16.127,1107 27.255,1108 13.2,1109 2.36,1110 8.692,1111 23.853,1112 4.009,1113 14.743,1114 17.572,1115 1.807,1116 29.688,1117 14.338,1118 1.886,1119 7.491,1120 25.741,1121 2.957,1122 15.88,1123 18.937,1125 32.096,1126 15.438,1127 1.83,1128 5.875,1129 27.634,1130 2.863,1131 17.043,1132 20.361,1133 1.939,1134 34.525,1135 16.566,1136 1.672,1137 5.342,1138 29.53,1139 2.392,1140 18.194,1141 21.747,1143 36.946,1144 17.681,1145 6817,1146 10662,1147 19.997,1148 30.461,1149 45.703,1150 47.856,1151 46.151,1152 44.984,1153 44.888,1154 55.237,1155 3.107,1156 136.268,1157 43.392,1158 5.511,1159 5.901,1160 6.583,1161 5.273,1162 5.267,1163 7.12,1164 2.162,1165 18.902,1166 5.116,1167 8.553,1168 1.576,1169 1.65,1170 1.591,1171 1.551,1172 1.548,1173 1.905,1174 0.107,1175 4.699,1176 1.496,1177 4.086,1178 4.137,1179 4.077,1180 3.964,1181 7.428,1182 3.964,1183 3.973,1184 4.003,1185 3.929,1186 3.892,1187 5.083,1188 3.892,1189 3.783,1190 3.843,1191 3.788,1192 3.604,1193 4.818,1194 3.617,1195 3.432,1196 3.493,1197 3.429,1198 3.219,1199 4.452,1200 3.239,1201 3.082,1202 3.16,1203 3.197,1204 2.932,1205 4.358,1206 2.931,1207 3.061,1208 3.117,1209 3.002,1210 2.894,1211 4.027,1212 2.868,1213 2.934,1214 2.987,1215 2.855,1216 2.842,1217 3.713,1218 2.782,1219 2.842,1220 2.931,1221 2.672,1222 2.692,1223 3.606,1224 2.662,1225 0.156,1226 0.135,1227 0.238,1228 0.145,1229 0.113,1230 4.511,1231 0.142,1232 3.901,1233 0.037,1234 6.899,1235 0.399,1236 4.212,1237 0.107,1238 3.267,1239 4.12,1240 1.081,1241 11.568,1242 3.116,1243 1.947,1244 1.924,1245 2.036,1246 2.061,1247 1.42,1248 2.051,1249 1.805,1250 1.753,1251 1.989,1252 1.957,1253 1.216,1254 1.969,1255 1.57,1256 1.513,1257 1.79,1258 1.744,1259 1.135,1260 1.758,1261 1.488,1262 1.427,1263 1.677,1264 1.677,1265 0.943,1266 1.693,1267 1.295,1268 1.239,1269 1.494,1270 1.514,1271 0.778,1272 1.517,1273 1.142,1274 1.084,1275 1.337,1276 1.394,1277 0.377,1278 1.362,1279 1.015,1280 0.973,1281 1.188,1282 1.227,1283 0.257,1284 1.247,1285 0.986,1286 0.927,1287 1.068,1288 1.188,1289 0.215,1290 1.187,1291 4.078,1293 5.442,1294 3.434,1295 7.006,1296 5.778,1297 8.66,1298 7.84,1299 10.362,1307 5.401,1308 4.521,1312 1.916,1313 1.475,1318 28.697,1319 72.836,1320 158.5,1321 198.215,1322 220.215,1323 228.215,1324 230.215,1325 36.522,1326 7.85,1327 65.6,1328 104.4,1329 27,1330 12.783,1331 3.807,1332 3.087,1333 32.04,1334 84,1335 77,1336 0.188,1337 175.072,1338 300.18,1339 418.937,1340 28864,1342 16.966,1343 0.679,1344 0.586,1345 17.466,1346 14.64,1347 12.204,1348 0.421,1349 0.318,1350 8.715,1351 11.529,1352 8.541,1353 6.987,1354 12.492,1355 9.228,1356 11.371,1357 0.264,1358 0.177,1359 11.742,1360 7.623,1361 10.382,1362 0.167,1363 0.099,1364 10.719,1365 6.139,1366 9.187,1367 0.106,1368 0.057,1369 9.53,1370 4.972,1371 7.117,1372 0.068,1373 0.032,1374 7.43,1375 3.316,1376 0.288,1377 79.122,1378 0.224,1379 23.867,1380 0.534,1381 144,1382 376.059,1383 170.907,1384 382.844,1385 531.94,1386 358,1387 177,1388 401.262,1389 202.309,1390 408.909,1391 604.89,1392 386,1393 4.383}
{0 CHEMBL1340895,1 1.55,2 10.25,3 6.238,4 38.908,5 123.387,6 7.917,7 0.75,8 4.105,9 4.206,10 3.737,11 3.69,12 5.269,13 3.68,14 4.615,15 4.764,16 4.101,17 4.074,18 5.719,19 4.061,20 4.789,21 4.935,22 4.212,23 4.223,24 5.924,25 4.188,26 4.943,27 5.142,28 4.196,29 4.258,30 5.972,31 4.201,32 4.955,33 5.151,34 4.179,35 4.264,36 5.953,37 4.2,38 4.964,39 5.178,40 4.193,41 4.256,42 5.995,43 4.199,44 4.917,45 5.104,46 4.179,47 4.27,48 6.004,49 4.206,50 4.969,51 5.186,52 4.065,53 4.241,54 5.976,55 4.148,56 0.047,57 0.81,58 9.57,59 4.968,60 8.351,61 5.908,62 0.226,63 1.303,64 19.058,65 8.094,66 22.03,67 9.661,68 0.273,69 1.609,70 21.931,71 9.842,72 31.276,73 11.91,74 0.387,75 1.808,76 28.601,77 11.255,78 38.437,79 14.455,80 0.408,81 1.734,82 29.093,83 11.447,84 37.188,85 14.776,86 0.522,87 1.807,88 30.488,89 11.223,90 44.856,91 14.73,92 0.359,93 1.757,94 27.195,95 11.392,96 38.85,97 14.514,98 0.371,99 1.788,100 30.62,101 12.343,102 41.944,103 16.113,104 21,105 52,106 0.252,107 0.57,108 0.731,109 0.825,110 0.837,111 0.843,112 3.503,113 0.858,114 -5.18,115 -5.07,116 -4.75,119 48.1,120 1,124 2,125 1,141 10,142 5,143 3,145 2,149 1,150 1,164 1,171 12,174 10,182 15,185 1,186 11,194 11,198 3,199 10,207 8,212 2,213 8,221 10,225 2,226 6,234 14,238 1,239 8,247 16,251 11,259 12,264 12,271 10,274 1704,275 21.997,276 21.997,277 21.997,278 21.997,279 21.997,280 18.86,281 19.667,282 12.686,283 22.557,284 17.666,285 17.666,286 17.666,287 17.666,288 17.666,289 12.797,290 25.101,291 5.886,292 18.409,293 4.205,294 2.247,295 1.25,296 0.672,297 0.597,298 0.56,299 4.212,306 1,307 717,308 3,311 58.206,312 302.845,315 101.405,316 111.933,319 1.516,320 26.52,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 69,332 328,333 4.802,334 3.396,335 6.97,336 4.314,337 3.34,338 4.881,339 0.86,340 11.871,341 3.253,342 4.357,343 3.132,344 6.482,345 3.93,346 2.96,347 4.104,348 0.86,349 10.122,350 2.871,351 4.075,352 2.966,353 6.055,354 3.687,355 2.716,356 3.666,357 0.522,358 8.701,359 2.659,360 4.006,361 2.876,362 5.848,363 3.575,364 2.609,365 3.599,367 8.083,368 2.497,369 3.832,370 2.683,371 5.505,372 3.366,373 2.414,374 3.357,376 7.254,377 2.284,378 3.628,379 2.422,380 5.298,381 3.183,382 2.23,383 3.078,385 6.504,386 2.116,387 3.325,388 2.212,389 4.986,390 2.924,391 1.944,392 2.631,394 5.778,395 1.897,396 3.234,397 2.102,398 4.745,399 2.812,400 1.836,401 2.499,403 5.229,404 1.781,405 2.903,406 1.922,407 4.459,408 2.488,409 1.577,410 2.048,412 4.317,413 1.43,414 2.671,415 1.289,416 4.267,417 2.197,418 1.2,419 1.75,421 3.338,422 1.196,423 2.627,424 1.244,425 3.88,426 2.131,427 1.181,428 1.68,430 2.82,431 1.116,432 2.5,433 1.106,434 3.511,435 2,436 1,437 1.5,439 2.556,440 1,441 2.438,442 1,443 3.462,444 1.954,445 0.996,446 1.412,448 2.275,449 0.95,450 1.914,451 0.958,452 3.414,453 1.578,454 0.677,455 0.813,457 1.46,458 0.604,459 1.499,460 0.938,461 2.957,462 1.212,463 0.36,464 0.394,466 0.493,467 0.304,468 15.152,469 0.474,470 0.777,471 0.024,472 45.5,473 1.422,474 25,475 0.781,476 20.5,477 0.641,478 25.542,479 0.798,480 32.848,481 0.608,482 36.936,483 1.154,484 9.331,485 0.292,486 6.236,487 0.195,488 0.118,490 0.389,492 1,493 0.671,494 1.017,495 0.69,496 1.014,497 0.573,498 0.892,499 1.063,500 0.91,501 0.768,502 0.77,503 0.68,504 0.724,505 0.899,506 1.21,507 0.945,508 1.114,509 0.899,510 1.055,511 0.836,512 0.969,513 0.958,514 0.989,515 0.76,516 0.988,517 0.814,518 0.921,519 0.964,520 0.983,521 0.531,522 0.998,523 0.811,524 0.739,525 0.898,526 0.805,527 0.542,528 0.841,529 0.783,530 0.942,531 0.966,532 1.037,533 0.639,534 1.036,535 0.785,536 0.883,537 1.019,538 1.057,539 0.736,540 1.074,541 6.5,542 0.202,543 3.778,544 2.16,545 2.374,546 1.382,547 1.022,548 0.763,549 0.512,550 0.331,551 12907,552 35409,553 2.135,554 40.7,555 3,556 18,557 1,564 1.754,565 2,566 3.317,567 -0.805,573 83.69,574 1.55,575 3.508,576 4.505,577 5.083,578 5.157,579 5.194,580 2.743,581 4.812,582 4.967,583 3.484,584 1727.84,585 8.744,586 24238,591 310.764,592 1.406,593 4.933,594 0.181,595 0.007,596 0.073,597 0.039,598 0.044,599 0.026,600 0.019,601 0.014,602 0.011,603 0.008,604 0.422,605 0.33,606 0.88,607 0.781,608 164.207,609 0.03,610 -0.053,611 0.069,612 -0.053,613 -0.024,614 -0.002,615 -0.12,616 0.038,617 0.107,618 0.188,620 0.19,621 0.005,622 -0.185,623 -0.084,624 -0.151,625 -0.027,626 -0.14,627 -0.008,628 -0.015,629 -0.028,630 -0.046,631 -0.051,632 -0.043,633 -0.013,634 -0.068,635 -0.036,636 -0.037,637 -0.03,638 -0.044,639 0.031,640 0.169,641 0.059,642 0.133,643 0.067,644 0.113,645 0.026,646 -0.011,647 -0.055,648 -0.069,649 0.071,650 -0.077,651 -0.004,652 0.01,653 -0.063,654 -0.079,655 -0.018,656 -0.078,657 1.95,658 5.478,659 0.781,660 32.5,661 1.006,662 1.119,663 3.951,664 15.608,665 0.694,666 3.611,667 3.97,668 4.304,669 4.635,670 4.949,671 5.165,672 5.398,673 5.631,674 5.823,675 5.945,676 6.307,677 0.669,678 427.51,679 3.611,680 5.176,681 6.057,682 6.963,683 7.866,684 8.783,685 9.697,686 10.621,687 11.543,688 12.471,689 5.6,697 1,699 2,706 4,707 11,708 2,712 7,713 1,714 27,730 2,732 1,733 54,735 27,736 3,737 36,739 58,740 26,741 22,742 8,743 10,747 5,748 8,753 1,762 22,763 4,780 1,782 22,783 5,785 6,791 3,796 0.6,797 2,807 1,809 1,815 1,816 4,819 1,820 1,845 3,850 3,852 1,854 32,862 1,865 2,877 1,878 3.7,883 2,885 16,886 10.993,887 7.028,888 3.087,890 4.838,891 1.574,892 1.027,893 5.279,894 13.263,895 3.922,896 4.627,897 5.327,898 6.029,899 6.7,900 7.218,901 7.795,902 8.377,903 8.891,904 9.334,905 0.857,906 56,907 11.792,909 5.053,910 7.714,911 22.521,913 18.611,915 2.214,916 70.833,920 258.964,921 177.862,922 35.225,924 22,925 14.96,927 177.862,928 280.964,929 50.185,930 30.591,931 2.106,932 103.81,933 33.326,934 63.11,935 28.875,936 247.193,938 258.964,939 213.088,940 36.96,943 273.924,944 22,947 17.731,948 162.031,949 33.326,951 273.924,952 57.225,953 177.862,956 258.964,957 43.461,958 136.3,960 70.286,961 258.964,962 72.185,963 177.862,965 0.584,966 0.352,967 0.197,968 0.113,969 27,970 12,971 0.086,972 5,973 2,974 1.16,975 4.157,976 318.569,977 0.16,978 25,979 154,985 20.473,986 8.251,987 3.73,988 3.528,989 70.286,990 20.715,991 8.933,995 4.911,996 2.171,998 509.012,999 49.5,1011 54.309,1012 60.405,1013 0.269,1014 0.61,1015 0.783,1016 0.883,1017 0.896,1018 0.903,1019 5.163,1020 1.836,1021 6.057,1022 5.778,1023 4.654,1024 5.316,1025 1.505,1026 6.917,1027 4.581,1028 6.41,1029 1.577,1030 7.643,1031 5.229,1032 4.29,1033 5.247,1035 7.895,1036 4.18,1037 7.748,1038 1.2,1039 9.326,1040 4.317,1041 6.293,1042 7.664,1043 1.205,1044 11.033,1045 6.164,1046 9.126,1047 1.181,1048 11.068,1049 3.338,1050 6.746,1051 8.435,1053 12.845,1054 6.578,1055 10.534,1056 1,1057 12.847,1058 2.82,1059 8.221,1060 10.322,1061 0.978,1062 15.516,1063 8.039,1064 11.966,1065 0.996,1066 14.654,1067 2.556,1068 9.053,1069 11.499,1071 17.687,1072 8.835,1073 13.417,1074 0.677,1075 16.48,1076 2.275,1077 10.326,1078 13.178,1079 0.792,1080 20.206,1081 10.093,1082 3.34,1083 0.36,1084 18.323,1085 1.46,1086 11.339,1087 14.56,1089 22.535,1090 11.075,1091 2.96,1092 11.871,1093 20.178,1094 0.493,1095 12.539,1096 16.16,1097 0.636,1098 25.007,1099 12.256,1100 2.716,1101 10.122,1102 22.044,1103 4.881,1104 13.64,1105 17.642,1107 27.407,1108 13.329,1109 2.609,1110 8.701,1111 23.919,1112 4.104,1113 14.819,1114 19.217,1115 0.504,1116 29.867,1117 14.486,1118 2.414,1119 8.083,1120 25.802,1121 3.666,1122 15.962,1123 20.748,1125 32.3,1126 15.603,1127 2.23,1128 7.254,1129 27.691,1130 3.599,1131 17.139,1132 22.319,1133 0.395,1134 34.759,1135 16.756,1136 1.944,1137 6.504,1138 29.586,1139 3.357,1140 18.305,1141 23.874,1143 37.209,1144 17.896,1145 12198,1146 20374,1147 24.274,1148 37.478,1149 54.374,1150 55.281,1151 57.012,1152 54.142,1153 54.182,1154 74.95,1155 4.483,1156 161.854,1157 52.01,1158 5.569,1159 5.396,1160 6.526,1161 5.356,1162 5.34,1163 7.881,1164 1.72,1165 19.564,1166 5.253,1167 15.263,1168 1.51,1169 1.536,1170 1.584,1171 1.504,1172 1.505,1173 2.082,1174 0.125,1175 4.496,1176 1.445,1177 4.214,1178 4.243,1179 4.193,1180 4.12,1181 8.201,1182 4.134,1183 3.924,1184 3.954,1185 3.868,1186 3.867,1187 5.162,1188 3.861,1189 3.891,1190 3.915,1191 3.837,1192 3.826,1193 4.879,1194 3.826,1195 3.662,1196 3.686,1197 3.625,1198 3.525,1199 4.74,1200 3.545,1201 3.415,1202 3.482,1203 3.339,1204 3.218,1205 4.584,1206 3.233,1207 3.243,1208 3.311,1209 3.061,1210 3.002,1211 4.499,1212 2.997,1213 3.193,1214 3.266,1215 3.025,1216 2.964,1217 4.41,1218 2.972,1219 3.116,1220 3.2,1221 2.928,1222 2.914,1223 4.001,1224 2.909,1225 0.133,1226 0.094,1227 0.194,1228 0.12,1229 0.093,1230 4.802,1231 0.136,1232 3.396,1233 0.024,1234 6.97,1235 0.33,1236 4.314,1237 0.09,1238 3.34,1239 4.881,1240 0.86,1241 11.871,1242 3.253,1243 2.093,1244 2.072,1245 2.148,1246 2.195,1247 1.358,1248 2.182,1249 1.918,1250 1.892,1251 2.034,1252 1.992,1253 1.167,1254 2.008,1255 1.885,1256 1.862,1257 1.978,1258 1.974,1259 1.074,1260 1.976,1261 1.53,1262 1.508,1263 1.68,1264 1.719,1265 0.801,1266 1.703,1267 1.302,1268 1.243,1269 1.58,1270 1.531,1271 0.696,1272 1.544,1273 1.204,1274 1.148,1275 1.571,1276 1.487,1277 0.575,1278 1.512,1279 1.189,1280 1.116,1281 1.478,1282 1.436,1283 0.55,1284 1.44,1285 1.123,1286 1.046,1287 1.387,1288 1.325,1289 0.516,1290 1.35,1291 4.29,1293 5.638,1294 2.398,1295 7.191,1296 4.727,1297 8.84,1298 6.862,1299 10.544,1301 5.328,1303 13.478,1307 0.664,1310 11.104,1318 36.145,1319 83.69,1320 189.437,1321 243.28,1322 274.499,1323 278.499,1324 280.499,1325 48.063,1326 8.426,1327 49.17,1328 49.17,1329 29,1330 12.976,1331 4.807,1332 3.858,1333 45.254,1334 120,1335 137,1336 0.187,1337 217.649,1338 367.03,1339 522.824,1340 52148,1341 1.9,1342 22.242,1343 0.695,1344 0.565,1345 21.372,1346 18.094,1347 15.567,1348 0.432,1349 0.286,1350 10.135,1351 14.924,1352 9.794,1353 8.166,1354 15.173,1355 10.299,1356 14.094,1357 0.271,1358 0.15,1359 13.472,1360 7.788,1361 12.426,1362 0.17,1363 0.078,1364 12.015,1365 5.665,1366 10.776,1367 0.106,1368 0.04,1369 10.625,1370 4.121,1371 9.125,1372 0.065,1373 0.021,1374 8.896,1375 2.896,1376 0.283,1377 97.983,1378 0.203,1379 29.181,1380 0.544,1381 176,1382 550.518,1383 191.444,1384 507.84,1385 702.45,1386 478,1387 213,1388 526.055,1389 229.744,1390 533.073,1391 780.57,1392 498,1393 5.406}
{0 CHEMBL1342053,1 1.88,2 5.588,3 1.918,4 3.679,5 64.153,6 9.718,7 0.333,8 3.394,9 3.482,10 3.17,11 2.954,12 4.703,13 2.96,14 3.887,15 4.014,16 3.571,17 3.335,18 5.331,19 3.333,20 4.122,21 4.275,22 3.823,23 3.498,24 5.432,25 3.499,26 4.195,27 4.289,28 3.981,29 3.474,30 6.02,31 3.49,32 4.089,33 4.246,34 3.413,35 3.287,36 5.466,37 3.241,38 3.99,39 4.191,40 2.943,41 2.898,42 5.44,43 2.828,44 3.495,45 3.731,46 1.814,47 2.098,48 4.915,49 1.97,50 1.818,51 2.116,52 0.219,53 0.577,54 2.89,55 0.46,56 0.16,57 0.373,58 2.765,59 2.108,60 12.073,61 2.301,62 0.333,63 0.575,64 6.88,65 3.617,66 50.377,67 4.074,68 0.411,69 0.682,70 11.355,71 4.669,72 48.789,73 5.29,74 0.772,75 0.642,76 13.826,77 4.954,78 118.954,79 4.772,80 0.459,81 0.594,82 12.459,83 4.787,84 66.035,85 4.952,86 0.578,87 0.461,88 16.096,89 4.33,90 81.136,91 4.392,92 0.505,93 0.217,94 14.05,95 2.786,96 87.086,97 2.664,98 0.085,99 0.035,100 2.336,101 0.472,102 16.253,103 0.579,104 30,105 26,106 0.369,107 0.7,108 0.782,109 0.843,110 0.858,111 0.858,112 2.912,113 0.901,114 -4.17,115 -4.11,116 -3.89,119 42.3,120 1,125 1,137 2,141 4,142 1,143 1,156 1,164 2,171 4,173 2,174 3,182 5,185 2,186 4,194 3,198 4,199 11,207 4,213 7,221 3,226 8,234 2,239 2,274 207,275 11.182,276 11.182,277 11.182,278 11.182,279 11.182,280 9.785,281 12.985,282 6.374,283 11.433,284 8.747,285 8.747,286 8.747,287 8.747,288 8.747,289 6.628,290 16.319,291 2.826,292 9.153,293 2.821,294 1.139,295 0.721,296 0.414,297 0.337,298 0.337,299 3.553,302 1,305 1,306 1,307 192,308 2.646,312 75.472,316 64.972,319 0.789,320 28.884,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 38.333,332 95,333 4.682,334 3.988,335 7.049,336 4.293,337 3.337,338 4.301,339 2.612,340 12.003,341 3.175,342 4.072,343 3.533,344 6.232,345 3.591,346 2.619,347 3.65,348 1.2,349 9.001,350 2.555,351 3.654,352 3.059,353 5.94,354 3.338,355 2.402,356 2.849,357 0.293,358 7.971,359 2.214,360 3.354,361 2.658,362 4.655,363 2.666,364 1.707,365 2.604,367 4.285,368 1.608,369 2.899,370 1.844,371 3.974,372 2.418,373 1.411,374 2.044,376 3.134,377 1.414,378 2.566,379 1.296,380 3.809,381 2.041,382 1.061,383 1.537,385 2.589,386 1.033,387 2.19,388 1.165,389 3.522,390 1.833,391 0.889,392 1.061,394 1.905,395 0.784,396 1.343,397 1.025,398 2.828,399 0.907,400 -0.032,401 -0.035,403 -0.057,404 -0.025,405 1.084,406 1,407 2.489,408 0.835,409 -0.132,410 -0.184,412 -0.304,413 -0.131,414 1,415 0.267,416 2,417 0.198,418 -0.727,419 -0.902,421 -1.622,422 -0.6,423 0.653,424 -0.384,425 2,426 0.064,427 -0.922,428 -1.289,430 -2,431 -0.912,432 0.531,433 -0.737,434 1.776,436 -1,437 -1.818,439 -2.194,440 -1,441 -0.083,442 -1.003,443 1.415,444 -0.503,445 -1.467,446 -1.928,448 -4.023,449 -1.255,450 -0.323,451 -1.136,452 1.303,453 -0.742,454 -1.559,455 -2,457 -4.626,458 -1.51,459 -0.5,460 -1.504,461 1.19,462 -0.823,463 -1.757,464 -2,465 -0.4,466 -5.34,467 -1.665,468 8.014,469 0.471,470 0.511,471 0.03,472 23.5,473 1.382,474 12.5,475 0.735,476 11,477 0.647,478 11.08,479 0.652,480 18.386,481 0.707,482 16.406,483 0.965,484 4.677,485 0.275,486 3.398,487 0.2,488 0.276,490 0.412,493 0.393,494 1.203,495 0.499,496 0.858,497 0.49,498 0.842,499 0.504,500 1.133,501 0.55,502 0.812,503 0.427,504 0.791,505 0.679,506 0.939,507 0.632,508 0.775,509 0.649,510 0.687,511 0.712,512 1.089,513 1.012,514 1.205,515 0.786,516 1.066,517 1.13,518 1.227,519 1.163,520 1.281,521 1.062,522 1.307,523 1.561,524 0.944,525 1.442,526 1.171,527 1.492,528 1.266,529 2.221,530 0.384,531 1.858,532 0.804,533 2.354,534 1.034,535 1.721,537 0.721,538 0.011,539 2.048,540 0.356,541 3,543 2.444,544 2.25,545 1.569,546 0.785,547 0.162,548 0.056,551 1756,552 7423,553 1.928,554 34.6,556 6,561 3,564 1.583,565 1.729,566 2.503,567 -0.634,571 1,573 48.873,574 1.88,575 3.562,576 3.979,577 4.287,578 4.364,579 4.364,580 1.865,581 3.175,582 4.062,583 2.573,584 349.908,585 6.93,586 3132.33,588 1,590 1,591 122.211,592 1.566,593 3.968,594 0.167,596 0.094,597 0.073,598 0.052,599 0.041,600 0.016,601 0.028,604 0.471,605 0.67,606 1,607 1.123,608 67.247,609 0.18,610 -0.023,611 0.024,612 0.021,613 0.003,614 -0.021,615 0.164,616 -0.037,617 0.12,618 0.098,619 0.183,620 0.111,621 0.066,622 0.116,623 0.24,624 0.168,625 0.008,626 0.265,627 0.392,628 -0.112,629 0.098,630 -0.228,631 0.324,632 -0.192,633 -0.219,634 -0.289,635 -0.229,636 -0.322,637 -0.146,638 -0.338,639 -0.385,640 -0.114,641 -0.31,642 -0.188,643 -0.258,644 -0.227,645 -0.662,646 0.266,647 -0.435,648 0.259,649 -0.613,650 0.114,651 -0.331,652 0.588,653 0.394,654 1.027,655 -0.426,656 0.995,657 2.733,658 4.913,659 0.588,660 8.54,661 1.04,662 1.124,663 2.937,664 8.629,665 0.703,666 2.944,667 3.296,668 3.638,669 3.932,670 4.094,671 4.111,672 4.025,673 3.871,674 3.611,675 3.135,676 3.652,677 0.697,678 252.67,679 2.944,680 4.489,681 5.371,682 6.282,683 7.185,684 8.103,685 9.01,686 9.929,687 10.839,688 11.758,689 7.7,696 1,701 1,707 4,712 2,714 6,733 26,735 10,736 1,737 18,739 27,740 11,741 6,742 2,743 4,744 3,745 1,747 2,748 3,749 1,753 1,762 9,763 2,765 1,766 4,768 1,771 3,775 3,779 1,782 9,783 4,785 6,786 1,791 2,796 0.5,797 3,816 2,820 1,830 1,835 2,840 1,845 1,850 1,851 1,854 17,862 1,868 1,877 1,878 11.5,881 1,884 2,885 9.833,886 5.126,887 3.861,888 1.644,890 1.931,891 1.316,892 0.945,893 3.07,894 8.035,895 3.258,896 3.861,897 4.428,898 4.996,899 5.427,900 5.684,901 5.954,902 6.154,903 6.236,904 5.894,905 0.75,906 31,907 6.291,909 2.765,910 8.379,911 11.266,913 9.003,915 2.879,916 48.944,917 0.001,920 105.94,921 65.74,922 8.794,923 39.149,924 75.892,927 65.74,928 220.98,929 8.794,930 14.495,931 5.23,932 37.905,933 36.107,934 5.942,936 105.94,937 89.896,938 105.94,939 74.535,940 75.892,941 39.149,943 70.627,944 60.458,945 50.747,947 14.055,948 54.222,949 45.406,951 105.94,952 84.686,953 104.889,956 105.94,957 19.01,958 55.525,960 115.04,961 105.94,962 84.686,963 104.889,965 0.585,966 0.377,967 0.223,968 0.111,969 13,970 7,971 0.074,972 2,973 1,974 1.2,975 2.683,976 122.8,977 0.2,978 10,979 67.487,985 11.926,986 4.375,987 1.784,989 79.016,990 6.866,995 1.123,998 295.515,999 25,1001 -0.733,1004 33.638,1008 -1.325,1011 27.044,1012 29.23,1013 0.4,1014 0.758,1015 0.847,1016 0.912,1017 0.928,1018 0.928,1019 4.505,1020 -0.032,1021 5.398,1022 1.905,1023 3.97,1024 4.543,1025 2.713,1026 6.312,1027 3.88,1028 5.747,1029 -0.132,1030 7.033,1031 -0.057,1032 3.761,1033 4.543,1034 2.396,1035 7.455,1036 3.596,1037 7.095,1038 -0.727,1039 8.774,1040 -0.304,1041 5.652,1042 6.773,1043 4.208,1044 10.618,1045 5.473,1046 8.481,1047 -0.922,1048 10.574,1049 -1.622,1050 6.256,1051 7.56,1052 4.517,1053 12.544,1054 5.997,1055 9.899,1056 -1,1057 12.41,1058 -2,1059 7.675,1060 9.313,1061 5.96,1062 15.257,1063 7.397,1064 11.34,1065 -1.467,1066 14.27,1067 -2.194,1068 8.623,1069 10.446,1070 6.558,1071 17.494,1072 8.274,1073 12.799,1074 -1.559,1075 16.146,1076 -4.023,1077 9.883,1078 12.02,1079 7.797,1080 20.058,1081 9.504,1082 3.337,1083 -1.757,1084 18.034,1085 -4.626,1086 10.976,1087 13.315,1088 8.549,1089 22.431,1090 10.534,1091 2.619,1092 12.003,1093 19.931,1094 -5.34,1095 12.187,1096 14.816,1097 9.67,1098 24.942,1099 11.704,1100 2.402,1101 9.001,1102 21.836,1103 4.301,1104 13.341,1105 16.189,1106 10.509,1107 27.376,1108 12.801,1109 1.707,1110 7.971,1111 23.746,1112 3.65,1113 14.539,1114 17.659,1115 11.563,1116 29.869,1117 13.954,1118 1.411,1119 4.285,1120 25.662,1121 2.849,1122 15.72,1123 19.07,1124 12.452,1125 32.33,1126 15.08,1127 1.061,1128 3.134,1129 27.582,1130 2.604,1131 16.917,1132 20.529,1133 13.468,1134 34.817,1135 16.228,1136 0.889,1137 2.589,1138 29.506,1139 2.044,1140 18.11,1141 21.96,1142 14.386,1143 37.291,1144 17.368,1145 1899,1146 4014,1147 11.156,1148 18.278,1149 27.391,1150 29.578,1151 29.918,1152 26.982,1153 26.852,1154 36.09,1155 8.211,1156 81.779,1157 25.565,1158 5.558,1159 5.988,1160 6.729,1161 5.332,1162 5.337,1163 7.301,1164 4.612,1165 20.003,1166 5.175,1167 10.14,1168 1.522,1169 1.643,1170 1.662,1171 1.499,1172 1.492,1173 2.005,1174 0.456,1175 4.543,1176 1.42,1177 4.045,1178 4.066,1179 4.108,1180 3.941,1181 7.816,1182 3.949,1183 3.707,1184 3.73,1185 3.689,1186 3.474,1187 7.426,1188 3.506,1189 3.5,1190 3.576,1191 3.459,1192 3.283,1193 6.999,1194 3.28,1195 3.158,1196 3.179,1197 3.361,1198 2.792,1199 4.873,1200 2.86,1201 2.943,1202 2.986,1203 2.963,1204 2.768,1205 4.567,1206 2.788,1207 2.718,1208 2.731,1209 2.665,1210 2.509,1211 4.105,1212 2.55,1213 2.513,1214 2.592,1215 2.574,1216 2.312,1217 3.647,1218 2.313,1219 2.257,1220 2.345,1221 2.033,1222 1.973,1223 3.595,1224 1.932,1225 0.26,1226 0.222,1227 0.392,1228 0.238,1229 0.185,1230 4.682,1231 0.239,1232 3.988,1233 0.145,1234 7.049,1235 0.667,1236 4.293,1237 0.176,1238 3.337,1239 4.301,1240 2.612,1241 12.003,1242 3.175,1243 1.971,1244 1.95,1245 2.043,1246 2.106,1247 1.197,1248 2.078,1249 1.563,1250 1.534,1251 1.801,1252 1.851,1253 0.951,1254 1.774,1255 1.456,1256 1.385,1257 1.563,1258 1.714,1259 0.609,1260 1.733,1261 0.938,1262 0.899,1263 1.173,1264 1.324,1265 0.252,1266 1.262,1267 0.901,1268 0.861,1269 1.059,1270 1.086,1271 0.11,1272 1.112,1273 0.618,1274 0.605,1275 0.913,1276 0.848,1278 0.863,1279 0.454,1280 0.38,1281 0.681,1282 0.791,1284 0.799,1285 0.214,1286 0.138,1287 0.358,1288 0.469,1290 0.492,1291 3.611,1293 4.949,1295 6.521,1297 8.208,1299 9.955,1301 1.755,1302 5.916,1307 0.358,1313 1.347,1318 18.122,1319 48.873,1320 92.602,1321 103.457,1322 111.457,1323 113.457,1324 113.457,1325 39.418,1326 6.105,1327 67.82,1328 67.82,1329 12,1330 12.268,1331 3.459,1332 3,1333 27.976,1334 41,1335 28,1336 0.407,1337 117.845,1338 210.98,1339 279.302,1340 2568,1341 3.8,1342 12.577,1343 0.74,1344 0.575,1345 13.077,1346 9.77,1347 8.075,1348 0.449,1349 0.3,1350 4.977,1351 7.392,1352 4.84,1353 4.01,1354 8.363,1355 5.408,1356 7.224,1357 0.278,1358 0.149,1359 7.557,1360 3.864,1361 6.231,1362 0.168,1363 0.08,1364 6.637,1365 2.968,1366 5.701,1367 0.114,1368 0.043,1369 6.252,1370 2.135,1371 3.929,1372 0.067,1373 0.023,1374 4.179,1375 1.344,1376 0.578,1377 54.636,1378 0.299,1379 16.254,1380 1.319,1381 88,1382 348.7,1383 114.658,1384 359.609,1385 462.92,1386 328,1387 107,1388 314.385,1389 132.712,1390 319.387,1391 470.18,1392 299,1393 4.423}
{0 CHEMBL1342574,1 1.507,2 9.095,3 3.211,4 10.309,5 82.675,6 7.952,7 0.522,8 3.659,9 3.766,10 3.285,11 3.272,12 4.854,13 3.254,14 4.131,15 4.27,16 3.64,17 3.629,18 5.33,19 3.599,20 4.353,21 4.523,22 3.67,23 3.687,24 5.602,25 3.641,26 4.373,27 4.584,28 3.52,29 3.584,30 5.66,31 3.521,32 4.243,33 4.447,34 3.526,35 3.469,36 5.538,37 3.45,38 4.132,39 4.289,40 3.371,41 3.328,42 5.566,43 3.326,44 3.966,45 4.172,46 3.029,47 3.167,48 5.188,49 3.109,50 3.698,51 3.88,52 2.867,53 3.114,54 4.823,55 3.014,56 0.043,57 0.482,58 5.989,59 3.023,60 4.826,61 3.679,62 0.137,63 0.76,64 10.7,65 4.863,66 10.06,67 6.188,68 0.196,69 0.922,70 14.848,71 6.112,72 26.73,73 7.736,74 0.289,75 0.912,76 17.163,77 6.382,78 60.507,79 8.176,80 0.16,81 0.798,82 14.981,83 5.494,84 29.861,85 6.89,86 0.257,87 0.7,88 12.845,89 4.317,90 47.991,91 4.473,92 0.241,93 0.584,94 11.892,95 4.075,96 42.636,97 4.745,98 0.055,99 0.449,100 7.744,101 3.655,102 12.497,103 4.695,104 10,105 32,106 0.273,107 0.564,108 0.69,109 0.807,110 0.821,111 0.821,112 3.103,113 0.866,114 -4.65,115 -4.57,116 -4.3,119 48.6,120 1,134 1,135 1,141 9,142 2,143 1,156 2,167 1,171 13,173 2,174 4,179 2,182 15,186 6,189 2,191 4,194 11,198 1,199 7,204 2,207 3,213 11,218 3,221 5,226 9,231 2,234 6,239 3,244 1,247 8,251 2,259 11,271 9,274 557,275 14.137,276 14.137,277 14.137,278 14.137,279 14.137,280 12.269,281 12.053,282 8.371,283 14.197,284 11.339,285 11.339,286 11.339,287 11.339,288 11.339,289 8.489,290 9.913,291 4.001,292 11.403,293 3.623,294 2.014,295 1.315,296 0.672,297 0.593,298 0.593,299 3.781,304 1,305 1,306 1,307 410,308 2.121,311 57.626,312 138.437,319 1.442,320 21.435,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 45,332 191,333 4.507,334 3.883,335 6.776,336 4.205,337 3.213,338 3.974,339 1.2,340 11.036,341 3.182,342 4.025,343 3.245,344 5.965,345 3.64,346 2.654,347 3.618,348 0.8,349 8.355,350 2.614,351 3.843,352 2.743,353 5.381,354 3.471,355 2.476,356 3.274,358 7,359 2.461,360 3.411,361 2.592,362 4.912,363 3.046,364 2.059,365 2.703,367 5.678,368 2.029,369 3.265,370 2.317,371 4.877,372 2.843,373 1.805,374 2.428,376 4.978,377 1.863,378 3.035,379 1.685,380 4.426,381 2.569,382 1.556,383 2.138,385 4.126,386 1.567,387 2.573,388 1.532,389 3.565,390 2.096,391 1.098,392 1.521,394 2.716,395 1.094,396 2.5,397 1.033,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 2.5,406 1,407 3.247,408 2,409 1,410 1.5,412 2.136,413 1,414 1.904,415 1,416 3.12,417 1.404,418 0.365,419 0.497,421 0.91,422 0.374,423 1.221,424 0.354,425 2.531,426 0.866,427 -0.157,428 -0.205,430 -0.346,431 -0.16,432 0.881,433 0.068,434 2.31,435 0.458,436 -0.579,437 -0.778,439 -1.373,440 -0.594,441 0.5,442 -0.398,443 2,444 0.153,445 -0.851,446 -1.076,448 -2.227,449 -0.85,450 0.5,451 -0.703,452 1.933,453 0.054,454 -1,455 -1.383,457 -2.347,458 -1,459 0.478,460 -1,461 1.704,463 -1,464 -1.5,466 -2.387,467 -1,468 9.967,469 0.475,470 0.524,471 0.025,472 29.75,473 1.417,474 17,475 0.81,476 12.75,477 0.607,478 12.76,479 0.608,480 21.233,481 0.607,482 20.922,483 0.996,484 6.177,485 0.294,486 3.971,487 0.189,488 0.117,490 0.341,493 0.563,494 0.984,495 0.709,496 0.902,497 0.533,498 0.839,499 0.525,500 1.158,501 0.769,502 1,503 0.553,504 0.937,505 0.855,506 1.235,507 0.971,508 1.156,509 0.885,510 1.095,511 1.041,512 1.047,513 0.979,514 0.984,515 0.966,516 0.967,517 1.27,518 1.02,519 0.784,520 0.884,521 1.143,522 0.77,523 2.327,524 1.033,525 1.362,526 0.966,527 2.284,528 0.992,529 1.87,530 0.656,531 1.237,532 0.706,533 1.871,534 0.833,535 0.651,536 0.959,537 1.045,538 1.146,539 0.679,540 1.164,541 4,542 0.049,543 2.444,544 1.701,545 1.263,546 0.702,547 0.411,548 0.282,549 0.056,550 0.063,551 4314,552 11591,553 2.074,554 40,555 3,556 10,559 1,564 1.632,565 1.938,566 3.152,567 -0.338,569 1,571 1,573 52.735,574 1.507,575 3.115,576 3.814,577 4.458,578 4.536,579 4.536,580 2.684,581 3.916,582 4.362,583 3.274,584 687.572,585 7.476,586 7184.2,587 1,588 1,589 1,590 1,591 179.525,592 1.418,593 4.322,594 0.174,595 0.008,596 0.076,597 0.055,598 0.049,599 0.026,600 0.019,601 0.018,602 0.004,603 0.007,604 0.435,605 0.67,606 1,607 0.61,608 94.404,609 0.041,610 0.089,611 0.039,612 0.031,613 -0.062,614 0.03,615 0.19,616 -0.106,617 0.054,618 -0.065,619 0.033,620 -0.042,621 0.108,622 -0.215,623 -0.056,624 -0.219,625 0.014,626 -0.178,627 0.068,628 -0.062,629 0.034,630 -0.026,631 0.127,632 -0.002,633 -0.052,634 -0.028,635 0.239,636 0.069,637 0.08,638 0.183,639 -0.453,640 0.002,641 -0.342,642 -0.068,643 -0.291,644 -0.158,645 -0.381,646 0.33,647 -0.184,648 0.249,649 -0.296,650 0.105,651 -0.031,652 -0.048,653 -0.155,654 -0.134,655 0.003,656 -0.158,657 2.028,658 5.362,659 0.81,660 15.596,661 1.005,662 1.112,663 3.422,664 11.708,665 0.7,666 3.178,667 3.497,668 3.761,669 4.007,670 4.205,671 4.143,672 4.234,673 4.344,674 4.29,675 4.234,676 5.269,677 0.675,678 278.33,679 3.178,680 4.71,681 5.557,682 6.431,683 7.3,684 8.181,685 9.06,686 9.945,687 10.829,688 11.717,689 5.7,694 1,696 1,707 9,712 3,714 12,733 35,735 15,736 2,737 23,739 37,740 17,741 12,742 3,743 9,744 4,747 3,748 3,753 1,762 16,763 1,766 3,771 2,773 1,775 3,778 1,779 1,782 14,783 4,784 1,785 4,791 2,795 1,796 1,797 2,815 1,816 2,835 1,836 1,845 3,850 1,854 21,864 1,868 1,878 5.7,881 2,885 10.833,886 6.617,887 4.611,888 2.004,890 2.395,891 1.36,892 1.002,893 3.486,894 9.053,895 3.497,896 4.06,897 4.605,898 5.1,899 5.597,900 5.565,901 5.864,902 6.215,903 6.415,904 6.519,905 1,906 31,907 7.764,909 3.337,910 7.905,911 14.521,913 11.748,915 2.405,916 50.5,920 153.024,921 125.31,922 20.89,924 50.29,927 125.31,928 203.314,929 20.89,930 8.825,931 3.002,932 94.762,933 77.587,934 12.313,936 153.024,938 153.024,939 146.2,940 50.29,943 153.024,944 50.29,947 11.827,948 107.009,949 27.364,951 153.024,952 71.18,953 125.31,956 153.024,957 21.723,958 106.589,959 17.888,960 50.29,961 153.024,962 71.18,963 125.31,965 0.582,966 0.341,967 0.182,968 0.103,969 16,970 7,971 0.081,972 3,974 1,975 3.346,976 160.618,978 17,979 84.239,985 13.438,986 5.447,987 2.678,989 71.18,990 16.658,995 2.553,997 17.888,998 349.515,999 32,1004 24.368,1006 1.36,1008 -0.3,1011 35.16,1012 38.907,1013 0.294,1014 0.607,1015 0.744,1016 0.869,1017 0.884,1018 0.884,1019 4.718,1020 1,1021 5.541,1022 2.716,1023 4.174,1024 4.745,1025 1.641,1026 6.347,1027 4.164,1028 5.923,1029 1,1030 7.099,1031 2.275,1032 3.761,1033 4.425,1035 7.244,1036 3.743,1037 7.221,1038 0.365,1039 8.76,1040 2.136,1041 5.759,1042 6.862,1043 1.786,1044 10.364,1045 5.726,1046 8.553,1047 -0.157,1048 10.481,1049 0.91,1050 6.176,1051 7.319,1053 12.13,1054 6.131,1055 9.916,1056 -0.579,1057 12.243,1058 -0.346,1059 7.652,1060 9.235,1061 2.014,1062 14.775,1063 7.595,1064 11.303,1065 -0.851,1066 14.034,1067 -1.373,1068 8.459,1069 10.074,1071 16.906,1072 8.39,1073 12.708,1074 -1,1075 15.847,1076 -2.227,1077 9.729,1078 11.744,1079 2.296,1080 19.39,1081 9.649,1082 3.213,1083 -1,1084 17.678,1085 -2.347,1086 10.723,1087 12.795,1089 21.675,1090 10.631,1091 2.654,1092 11.036,1093 19.522,1094 -2.387,1095 11.913,1096 14.333,1097 2.61,1098 24.103,1099 11.812,1100 2.476,1101 8.355,1102 21.378,1103 3.974,1104 12.995,1105 15.508,1107 26.453,1108 12.883,1109 2.059,1110 7,1111 23.243,1112 3.618,1113 14.159,1114 16.971,1115 2.943,1116 28.862,1117 14.037,1118 1.805,1119 5.678,1120 25.116,1121 3.274,1122 15.282,1123 18.221,1125 31.239,1126 15.15,1127 1.556,1128 4.978,1129 26.995,1130 2.703,1131 16.439,1132 19.642,1133 3.287,1134 33.642,1135 16.297,1136 1.098,1137 4.126,1138 28.88,1139 2.428,1140 17.582,1141 20.937,1143 36.032,1144 17.431,1145 4207,1146 7022,1147 15.315,1148 24.489,1149 35.302,1150 36.377,1151 35.715,1152 34.461,1153 34.452,1154 46.304,1155 4,1156 98.42,1157 34.367,1158 5.403,1159 5.883,1160 6.578,1161 5.208,1162 5.213,1163 6.974,1164 2.4,1165 18.345,1166 5.182,1167 9.5,1168 1.535,1169 1.582,1170 1.553,1171 1.498,1172 1.498,1173 2.013,1174 0.174,1175 4.279,1176 1.494,1177 4.007,1178 4.034,1179 3.966,1180 3.92,1181 7.448,1182 3.923,1183 3.898,1184 3.928,1185 3.832,1186 3.841,1187 7.408,1188 3.835,1189 3.7,1190 3.729,1191 3.646,1192 3.548,1193 4.786,1194 3.57,1195 3.218,1196 3.298,1197 3.073,1198 3.055,1199 4.744,1200 3.047,1201 2.915,1202 2.971,1203 2.874,1204 2.736,1205 4.213,1206 2.75,1207 2.854,1208 2.925,1209 2.75,1210 2.735,1211 3.98,1212 2.715,1213 2.854,1214 2.925,1215 2.687,1216 2.735,1217 3.674,1218 2.715,1219 2.847,1220 2.847,1221 2.687,1222 2.516,1223 3.674,1224 2.585,1225 0.196,1226 0.169,1227 0.295,1228 0.183,1229 0.14,1230 4.507,1231 0.173,1232 3.883,1233 0.052,1234 6.776,1235 0.48,1236 4.205,1237 0.138,1238 3.213,1239 3.974,1240 1.2,1241 11.036,1242 3.182,1243 1.919,1244 1.896,1245 2.035,1246 2.012,1247 1.13,1248 2.02,1249 1.91,1250 1.88,1251 2.028,1252 1.987,1253 1.112,1254 2.002,1255 1.432,1256 1.415,1257 1.561,1258 1.66,1259 0.623,1260 1.607,1261 1.339,1262 1.291,1263 1.543,1264 1.557,1265 0.618,1266 1.547,1267 1.139,1268 1.082,1269 1.304,1270 1.379,1271 0.27,1272 1.395,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 0.886,1280 0.821,1281 1.181,1282 1.062,1283 0.218,1284 1.107,1285 0.713,1286 0.661,1287 0.989,1288 0.936,1289 0.053,1290 0.95,1291 3.85,1293 5.165,1294 2.398,1295 6.673,1296 4.844,1297 8.263,1298 7.002,1299 9.896,1301 1.977,1309 2.85,1313 1.035,1318 23.633,1319 52.735,1320 109.021,1321 133.486,1322 156.015,1323 158.77,1324 158.77,1325 35.727,1326 6.658,1327 51.1,1328 51.1,1329 17,1330 12.248,1331 4,1332 3.322,1333 32.169,1334 65,1335 70,1336 0.245,1337 146.895,1338 259.6,1339 350.183,1340 5965,1342 14.82,1343 0.706,1344 0.549,1345 14.82,1346 11.537,1347 10.148,1348 0.441,1349 0.289,1350 6.573,1351 9.867,1352 6.386,1353 5.344,1354 10.148,1355 6.638,1356 9.16,1357 0.286,1358 0.153,1359 9.16,1360 4.881,1361 7.722,1362 0.184,1363 0.079,1364 7.722,1365 3.299,1366 6.235,1367 0.115,1368 0.04,1369 6.235,1370 2.158,1371 5.134,1372 0.078,1373 0.022,1374 5.134,1375 1.438,1376 0.377,1377 62.988,1378 0.256,1379 20.751,1380 0.694,1381 110,1382 329.449,1383 119.23,1384 322.94,1385 439.3,1386 300,1387 129,1388 324.132,1389 139.036,1390 329.916,1391 480.97,1392 310,1393 4.542}
{0 CHEMBL1343392,1 1.904,2 9.35,3 2.611,4 6.817,5 75.907,6 10.438,7 0.286,8 3.529,9 3.604,10 3.365,11 3.108,12 4.81,13 3.115,14 4.013,15 4.13,16 3.763,17 3.448,18 5.36,19 3.444,20 4.187,21 4.296,22 4.046,23 3.539,24 5.701,25 3.525,26 4.202,27 4.355,28 3.659,29 3.283,30 5.676,31 3.267,32 3.926,33 4.102,34 3.324,35 3.037,36 5.244,37 3.023,38 3.702,39 3.829,40 3.352,41 2.975,42 5.306,43 2.989,44 3.739,45 3.882,46 3.331,47 2.992,48 5.228,49 3,50 3.566,51 3.678,52 3.307,53 3.006,54 5.058,55 2.955,56 0.156,57 0.404,58 2.208,59 2.414,60 12.25,61 2.426,62 0.454,63 0.607,64 7.321,65 3.991,66 33.217,67 4.037,68 0.556,69 0.663,70 14.081,71 5.021,72 49.496,73 4.905,74 0.767,75 0.602,76 15.166,77 5.502,78 80.623,79 5.289,80 0.553,81 0.469,82 14.641,83 4.39,84 61.123,85 4.433,86 0.394,87 0.408,88 9.242,89 3.136,90 48.914,91 3.123,92 0.455,93 0.418,94 8.402,95 3.086,96 53.059,97 2.438,98 0.273,99 0.36,100 4.63,101 2.76,102 31.755,103 2.62,104 26,105 29,106 0.363,107 0.699,108 0.803,109 0.841,110 0.841,111 0.841,112 3.056,113 0.913,114 -4.6,115 -4.53,116 -4.26,119 43.3,120 1,126 1,137 2,141 4,142 2,152 1,156 2,164 1,171 7,173 3,174 2,182 8,185 2,186 7,194 6,198 2,199 8,207 1,212 1,213 6,225 1,226 8,239 6,247 1,251 5,259 3,264 2,271 4,274 458,275 12.983,276 12.983,277 12.983,278 12.983,279 12.983,280 11.503,281 11.021,282 7.481,283 13.37,284 10.252,285 10.252,286 10.252,287 10.252,288 10.252,289 7.975,290 8.553,291 3.5,292 10.976,293 3.003,294 1.241,295 0.692,296 0.492,297 0.492,298 0.492,299 3.709,302 2,304 1,305 1,306 1,307 385,308 2.828,312 143.35,319 1.35,320 29.542,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 44.667,332 187,333 4.387,334 3.815,335 6.508,336 3.979,337 3.052,338 3.818,339 1.707,340 9.91,341 2.815,342 4.178,343 3.654,344 6.027,345 3.801,346 2.809,347 3.755,348 1.073,349 8.572,350 2.769,351 3.665,352 2.982,353 5.517,354 3.285,355 2.315,356 3.014,357 0.451,358 6.856,359 2.264,360 3.498,361 2.598,362 5.021,363 3.109,364 2.212,365 2.614,367 6.013,368 1.854,369 3.094,370 2.447,371 4.542,372 2.61,373 1.675,374 2.134,376 4.394,377 1.524,378 2.842,379 1.974,380 4.139,381 2.371,382 1.414,383 1.883,385 3.669,386 1.331,387 2.5,388 1.881,389 3.414,390 2,391 1,392 1.5,394 2.275,395 1,396 2.132,397 1.581,398 3.241,399 1.598,400 0.666,401 0.854,403 1.527,404 0.594,405 1.562,406 1.004,407 2.79,408 1.074,409 0.286,410 0.333,412 0.619,413 0.166,414 1.293,415 1,416 2.623,417 0.815,418 -0.063,419 -0.079,421 -0.143,422 -0.053,423 1.113,424 0.193,425 2.142,426 0.703,427 -0.292,428 -0.379,430 -0.621,431 -0.288,432 0.5,433 -0.096,434 2,436 -1,437 -1.074,439 -2.56,440 -0.702,441 0.238,442 -0.254,443 1.683,444 -0.089,445 -1,446 -1.5,448 -2.906,449 -0.957,451 -0.772,452 1.535,453 -0.233,454 -1.211,455 -1.507,457 -3,458 -1,460 -1,461 1.404,462 -0.317,463 -1.254,464 -1.571,466 -3.092,467 -1.195,468 9.729,469 0.486,470 0.6,471 0.03,472 24.75,473 1.238,474 12,475 0.6,476 12.75,477 0.638,478 14.408,479 0.72,480 21.471,481 0.716,482 17.9,483 0.895,484 5.278,485 0.264,486 4.208,487 0.21,488 0.267,490 0.349,493 0.642,494 1.217,495 0.487,496 0.886,497 0.566,498 0.822,499 0.742,500 0.997,501 0.593,502 0.659,503 0.62,504 0.705,505 0.736,506 1.214,507 0.753,508 1.179,509 0.765,510 1.098,511 1.119,512 1.04,513 0.804,514 1.073,515 1.338,516 1.094,517 1.179,518 0.893,519 0.836,520 0.895,521 1.177,522 0.866,523 0.855,524 1.197,525 0.869,526 1.118,527 0.808,528 0.962,529 1.417,530 0.763,531 0.751,532 0.566,533 1.495,534 0.66,535 0.839,536 1.175,537 0.876,538 1.046,539 1.025,540 1.125,541 4.5,542 0.062,543 3.333,544 1.375,545 1.027,546 0.576,547 0.345,548 0.24,549 0.193,550 0.148,551 3693,552 15340,553 1.938,554 33.3,555 3,556 4,557 2,558 1,564 1.613,565 1.765,566 3.204,567 -0.64,569 1,571 1,573 57.127,574 1.904,575 3.666,576 4.215,577 4.415,578 4.415,579 4.415,580 2.666,581 3.484,582 4.297,583 3.319,584 630.611,585 7.317,586 6578.35,587 1,588 1,589 1,590 1,591 147.207,592 1.559,593 4.219,594 0.214,595 0.009,596 0.115,597 0.046,598 0.049,599 0.034,600 0.019,601 0.014,602 0.013,603 0.013,604 0.526,605 0.17,606 1,607 0.716,608 89.633,609 -0.012,610 -0.085,611 0.009,612 -0.078,613 -0.056,614 -0.042,615 0.089,616 0.095,617 0.076,618 0.204,619 0.032,620 0.148,621 0.188,622 -0.191,623 0.15,624 -0.264,625 0.108,626 -0.221,627 0.062,628 -0.144,629 0.049,630 -0.111,631 -0.058,632 -0.105,633 -0.06,635 0.061,636 0.091,637 -0.091,638 0.178,639 0.136,640 -0.194,641 -0.015,642 -0.202,643 0.29,644 -0.051,645 -0.291,646 0.256,647 0.021,648 0.344,649 -0.18,650 0.239,651 -0.023,652 -0.166,653 -0.025,654 -0.122,655 -0.011,656 -0.222,657 2.282,658 4.768,659 0.6,660 13.59,661 1.042,662 1.12,663 3.375,664 11.388,665 0.73,666 3.091,667 3.401,668 3.611,669 3.689,670 3.85,671 3.784,672 3.611,673 3.555,674 3.638,675 3.664,676 5.481,677 0.716,678 313.15,679 3.091,680 4.615,681 5.442,682 6.29,683 7.132,684 7.98,685 8.826,686 9.675,687 10.522,688 11.372,689 6.7,696 1,698 1,707 4,712 2,714 6,723 1,733 30,735 10,736 1,737 21,739 31,740 13,741 6,742 2,743 4,744 5,745 2,747 2,748 2,749 2,750 1,753 1,762 11,763 2,765 2,766 4,771 2,773 1,774 1,775 4,778 1,779 1,782 10,783 5,785 7,786 2,791 2,796 1,797 3,816 2,835 2,845 2,850 1,851 2,854 20,862 1,865 1,868 1,877 2,878 10,881 2,883 1,885 11.333,886 5.852,887 4.444,888 1.613,890 1.788,891 1.29,892 0.937,893 4.678,894 7.958,895 3.367,896 3.902,897 4.385,898 4.731,899 5.132,900 5.155,901 5.005,902 4.898,903 5.194,904 5.539,905 1,906 30,907 7.358,909 3.105,910 8.211,911 13.268,913 10.228,915 2.711,916 54.222,920 117.711,921 85.21,922 19.665,923 78.297,924 61.29,927 85.21,928 257.298,929 19.665,930 8.825,931 7.165,932 37.905,933 90.006,934 34.034,935 23.542,936 82.398,937 78.297,938 117.711,939 104.874,940 61.29,941 78.297,943 117.711,944 61.29,947 32.654,948 56.172,949 94.346,951 117.711,952 80.955,953 163.507,956 117.711,957 29.432,958 58.779,960 156.25,961 117.711,962 80.955,963 163.507,965 0.591,966 0.347,967 0.154,968 0.081,969 13,970 7,971 0.129,972 4,974 1,975 3.19,976 139.492,978 12,979 82.439,985 14.881,986 6.287,987 3.537,989 80.955,990 6.867,995 1.424,998 362.172,999 28,1004 23.444,1006 1.213,1007 3.729,1008 -1.272,1011 31.251,1012 33.589,1013 0.388,1014 0.747,1015 0.859,1016 0.9,1017 0.9,1018 0.9,1019 4.6,1020 0.666,1021 5.442,1022 2.275,1023 4.078,1024 4.585,1025 2.255,1026 6.221,1027 3.952,1028 5.812,1029 0.286,1030 7.006,1031 1.527,1032 3.761,1033 4.407,1035 7.101,1036 3.552,1037 7.118,1038 -0.063,1039 8.668,1040 0.619,1041 5.659,1042 6.691,1043 3.03,1044 10.136,1045 5.436,1046 8.457,1047 -0.292,1048 10.383,1049 -0.143,1050 6.111,1051 7.27,1053 11.783,1054 5.801,1055 9.824,1056 -1,1057 12.132,1058 -0.621,1059 7.518,1060 9.061,1061 3.98,1062 14.363,1063 7.195,1064 11.21,1065 -1,1066 13.904,1067 -2.56,1068 8.309,1069 9.986,1071 16.332,1072 7.904,1073 12.61,1074 -1.211,1075 15.692,1076 -2.906,1077 9.528,1078 11.565,1079 5.001,1080 18.745,1081 9.096,1082 3.052,1083 -1.254,1084 17.492,1085 -3,1086 10.477,1087 12.668,1089 20.866,1090 9.967,1091 2.809,1092 9.91,1093 19.302,1094 -3.092,1095 11.62,1096 14.139,1097 6.051,1098 23.208,1099 11.069,1100 2.315,1101 8.572,1102 21.121,1103 3.818,1104 12.645,1105 15.338,1107 25.405,1108 12.019,1109 2.212,1110 6.856,1111 22.946,1112 3.755,1113 13.758,1114 16.752,1115 7.112,1116 27.715,1117 13.08,1118 1.675,1119 6.013,1120 24.777,1121 3.014,1122 14.821,1123 18.006,1125 29.952,1126 14.068,1127 1.414,1128 4.394,1129 26.612,1130 2.614,1131 15.923,1132 19.386,1133 8.179,1134 32.248,1135 15.11,1136 1,1137 3.669,1138 28.451,1139 2.134,1140 17.004,1141 20.671,1143 34.507,1144 16.117,1145 3765,1146 7862,1147 13.235,1148 21.898,1149 31.717,1150 34.422,1151 32.684,1152 30.941,1153 30.857,1154 39.812,1155 6.461,1156 87.672,1157 28.632,1158 5.304,1159 5.815,1160 5.923,1161 5.055,1162 5.052,1163 6.818,1164 3.413,1165 17.038,1166 4.815,1167 12.133,1168 1.51,1169 1.639,1170 1.556,1171 1.473,1172 1.469,1173 1.896,1174 0.308,1175 4.175,1176 1.363,1177 3.946,1178 3.968,1179 4.096,1180 3.876,1181 7.434,1182 3.874,1183 3.828,1184 3.856,1185 3.878,1186 3.684,1187 7.427,1188 3.697,1189 3.42,1190 3.429,1191 3.447,1192 3.199,1193 5.006,1194 3.227,1195 3.151,1196 3.217,1197 3.362,1198 2.957,1199 4.725,1200 2.961,1201 2.951,1202 2.968,1203 3.217,1204 2.735,1205 4.534,1206 2.739,1207 2.866,1208 2.925,1209 2.815,1210 2.706,1211 4.428,1212 2.715,1213 2.854,1214 2.906,1215 2.76,1216 2.585,1217 4.236,1218 2.609,1219 2.539,1220 2.569,1221 2.687,1222 2.265,1223 3.818,1224 2.279,1225 0.209,1226 0.182,1227 0.31,1228 0.189,1229 0.145,1230 4.387,1231 0.182,1232 3.815,1233 0.081,1234 6.508,1235 0.472,1236 3.979,1237 0.134,1238 3.052,1239 3.818,1240 1.707,1241 9.91,1242 2.815,1243 1.923,1244 1.9,1245 2.04,1246 2.012,1247 1.137,1248 2.019,1249 1.704,1250 1.684,1251 1.727,1252 1.907,1253 0.836,1254 1.869,1255 1.317,1256 1.292,1257 1.555,1258 1.558,1259 0.627,1260 1.542,1261 1.119,1262 1.053,1263 1.377,1264 1.357,1265 0.551,1266 1.387,1267 0.886,1268 0.821,1269 1.181,1270 1.094,1271 0.218,1272 1.107,1273 0.804,1274 0.781,1275 0.977,1276 1.062,1277 0.009,1278 1.05,1279 0.75,1280 0.701,1281 0.907,1282 1.043,1284 1.011,1285 0.372,1286 0.339,1287 0.545,1288 0.651,1290 0.632,1291 3.761,1293 5.069,1295 6.572,1297 8.159,1299 9.786,1301 1.911,1302 11.331,1307 -0.331,1310 4.989,1313 0.917,1318 21.476,1319 57.127,1320 109.987,1321 126.452,1322 132.452,1323 132.452,1324 132.452,1325 43.77,1326 6.17,1327 61.19,1328 61.19,1329 12,1330 11.93,1331 3.459,1332 3,1333 36.626,1334 67,1335 62,1336 0.275,1337 142.435,1338 258.15,1339 339.302,1340 3258,1341 6.7,1342 14.698,1343 0.735,1344 0.599,1345 15.698,1346 11.981,1347 9.486,1348 0.452,1349 0.304,1350 5.596,1351 8.531,1352 5.375,1353 4.464,1354 10.063,1355 6.393,1356 8.608,1357 0.297,1358 0.166,1359 9.312,1360 4.823,1361 7.321,1362 0.203,1363 0.092,1364 8.359,1365 3.296,1366 4.925,1367 0.126,1368 0.044,1369 5.38,1370 1.7,1371 3.716,1372 0.081,1373 0.024,1374 4.046,1375 1.091,1376 0.433,1377 66.359,1378 0.275,1379 20.108,1380 0.746,1381 100,1382 400.904,1383 143.367,1384 436.854,1385 555.5,1386 402,1387 115,1388 345.267,1389 158.504,1390 366.323,1391 534.33,1392 340,1393 4.308}
{0 CHEMBL1343705,1 1.847,2 7.211,3 2.763,4 7.634,5 76.802,6 10.013,7 0.762,8 3.508,9 3.569,10 3.572,11 3.258,12 4.634,13 3.178,14 3.99,15 4.07,16 3.899,17 3.63,18 5.469,19 3.527,20 4.172,21 4.312,22 3.876,23 3.62,24 5.428,25 3.522,26 4.122,27 4.26,28 3.702,29 3.51,30 5.5,31 3.432,32 4.098,33 4.257,34 3.583,35 3.443,36 5.415,37 3.333,38 3.939,39 4.091,40 3.483,41 3.337,42 5.363,43 3.221,44 3.715,45 3.86,46 3.2,47 3.176,48 4.961,49 3.038,50 3.487,51 3.693,52 2.57,53 2.835,54 4.504,55 2.649,56 0.083,57 0.424,58 5.226,59 2.902,60 13.026,61 2.526,62 0.267,63 0.679,64 11.18,65 5.145,66 39.175,67 4.482,68 0.25,69 0.841,70 16.024,71 6.594,72 28.619,73 5.768,74 0.253,75 0.793,76 14.236,77 5.936,78 27.756,79 5.022,80 0.327,81 0.744,82 14.367,83 5.885,84 47.129,85 4.969,86 0.305,87 0.614,88 14.054,89 5.556,90 42.801,91 5.113,92 0.179,93 0.493,94 11.185,95 4.473,96 26.672,97 4.135,98 0.121,99 0.397,100 8.422,101 3.467,102 16.028,103 3.738,104 5,105 30,106 0.345,107 0.584,108 0.767,109 0.894,110 0.894,111 0.894,112 3.012,113 1.133,114 -2.56,115 -2.58,116 -2.52,119 44.8,141 7,142 1,143 1,144 1,145 1,149 1,151 1,171 5,173 1,174 3,177 2,179 2,182 6,186 6,191 4,194 3,199 7,202 1,204 3,207 3,213 4,221 5,225 2,226 4,234 6,239 2,247 6,251 1,259 2,274 393,275 12.8,276 12.8,277 12.8,278 12.8,279 12.8,280 10.629,281 6.038,282 7.583,283 13.239,284 10.387,285 10.387,286 10.387,287 10.387,288 10.387,289 7.164,290 3.814,291 3.578,292 11.128,293 3.011,294 1.73,295 0.747,296 0.069,297 0.069,298 0.069,299 3.686,305 1,306 1,307 297,308 3,311 48.839,312 88.162,316 75.687,319 0.981,320 23.358,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 41,332 137,333 4.864,334 4.686,335 7.313,336 4.309,337 3.404,338 4.72,340 12.538,341 3.097,342 4.47,343 3.056,344 6.495,345 3.961,346 2.989,347 4.407,349 10.135,350 2.872,351 3.591,352 2.222,353 5.261,354 3.062,355 2.134,356 3.083,358 6.319,359 1.977,360 3.429,361 1.945,362 4.836,363 2.859,364 1.921,365 2.836,367 5.217,368 1.783,369 3.118,370 1.618,371 4.147,372 2.614,373 1.618,374 2.427,376 3.77,377 1.612,378 2.768,379 1.281,380 3.611,381 2.255,382 1.271,383 1.901,385 2.831,386 1.249,387 2.397,388 1.159,389 3.529,390 1.896,391 0.954,392 1.348,394 2.231,395 0.89,396 2.331,397 0.89,398 3.284,399 1.764,400 0.825,401 1.226,403 1.947,404 0.761,405 2.118,406 0.618,407 3,408 1.461,409 0.618,410 0.927,412 1.372,413 0.506,414 1.329,415 0.096,416 2.923,417 0.924,418 -0.042,419 -0.056,421 -0.112,422 -0.041,423 1,424 -0.189,425 2.385,426 0.357,427 -0.618,428 -0.927,430 -1.478,431 -0.6,432 0.882,433 -0.618,434 2.335,435 0.265,436 -0.719,437 -1.011,439 -1.913,440 -0.707,441 0.722,442 -0.714,443 2,445 -1,446 -1.543,448 -2.902,449 -1,450 0.376,451 -1,452 2,453 -0.102,454 -1.093,455 -1.667,457 -2.977,458 -1.051,459 0.125,460 -1.093,461 2,462 -0.398,463 -1.263,464 -2,466 -3,467 -1.087,468 9.633,469 0.507,470 0.505,471 0.027,472 29.25,473 1.539,474 17.5,475 0.921,476 11.75,477 0.618,478 11.066,479 0.582,480 19.167,481 0.661,482 18.53,483 0.975,484 5.509,485 0.29,486 3.657,487 0.192,488 0.069,489 0.087,490 0.208,493 0.458,494 1.078,495 0.773,496 1.03,497 0.663,498 0.77,499 0.548,500 1.058,501 0.842,502 0.911,503 0.559,504 0.935,505 1.009,506 1.232,507 1.029,508 1.154,509 0.974,510 1.005,511 1.364,512 1.118,513 1.121,514 1.087,515 1.219,516 1.027,517 1.632,518 0.837,519 1.05,520 0.879,521 1.634,522 0.946,523 1.232,524 0.767,525 1.068,526 0.92,527 1.354,528 0.877,529 1.136,530 0.997,531 1.209,532 1.121,533 1.19,534 1.105,535 0.711,536 1.068,537 1.077,538 1.069,539 0.646,540 1.315,541 4,543 2.667,544 1.34,545 1.171,546 0.531,547 0.306,548 0.124,549 0.039,550 0.007,551 3134,552 10448,553 2.1,554 34.5,556 7,557 1,558 1,559 1,564 1.606,565 1.983,566 2.884,567 -0.198,569 1,571 1,573 53.556,574 1.847,575 3.128,576 4.111,577 4.789,578 4.789,579 4.789,580 2.215,581 3.511,582 4.226,583 2.976,584 508.909,585 7.21,586 4910.27,587 1,588 1,589 1,590 1,591 140.881,592 1.457,593 4.178,594 0.19,596 0.089,597 0.048,598 0.045,599 0.025,600 0.015,601 0.008,602 0.005,603 0.003,604 0.429,605 0.67,606 1,607 0.565,608 80.874,609 0.121,610 -0.073,611 0.173,612 -0.063,613 -0.177,614 0.049,615 0.315,616 -0.054,617 0.04,618 0.005,619 0.266,620 -0.122,621 -0.046,622 -0.218,623 0.001,624 -0.151,625 -0.048,626 -0.065,627 -0.193,628 -0.09,629 -0.18,630 -0.148,631 -0.045,632 -0.138,633 -0.327,634 0.134,635 -0.091,636 0.083,637 -0.235,638 0.011,639 0.011,640 0.169,641 -0.031,642 0.107,643 0.016,644 0.124,645 -0.175,646 -0.098,647 -0.183,648 -0.096,649 -0.154,650 -0.098,651 -0.08,652 -0.178,653 -0.19,654 -0.165,655 -0.09,656 -0.248,657 4.437,658 5.185,659 0.789,660 10.26,661 1.019,662 1.101,663 1.329,664 1.767,665 0.768,666 3.091,667 3.434,668 3.689,669 3.932,670 4.06,671 4.06,672 4.06,673 4.143,674 4.143,675 3.912,676 4.5,677 0.723,678 290.39,679 3.091,680 4.635,681 5.485,682 6.375,683 7.244,684 8.137,685 9.011,686 9.904,687 10.781,688 11.674,689 6.9,694 1,699 1,706 2,707 9,708 1,711 1,712 2,714 16,733 29,735 18,736 1,737 21,739 31,740 13,741 13,742 3,743 3,747 3,748 4,762 13,766 2,769 1,771 2,779 1,782 10,783 4,784 1,785 6,786 2,791 2,796 0.667,797 2,809 1,815 1,816 2,820 1,845 2,848 2,854 19,858 1,864 1,873 1,878 6.9,881 2,885 9.583,886 5.117,887 4.097,888 1.54,890 3.044,891 1.47,892 1.045,893 3.149,894 9.519,895 3.466,896 4.155,897 4.726,898 5.324,899 5.779,900 6.047,901 6.329,902 6.738,903 7.076,904 6.938,905 0.8,906 28,907 7.21,909 3.33,910 7.969,911 13.211,913 11.09,915 2.469,916 46.917,917 0.001,920 105.94,921 127.589,922 33.191,924 44.313,926 37.085,927 90.504,928 150.253,929 33.191,932 79.79,933 89.275,934 16.521,935 11.771,936 113.675,938 105.94,939 123.695,940 44.313,941 37.085,943 105.94,944 44.313,947 11.192,948 79.313,949 38.998,950 31.278,951 105.94,952 77.503,953 127.589,955 5.807,956 105.94,957 38.752,958 83.03,959 16.405,960 61.098,961 105.94,962 77.503,963 127.589,965 0.586,966 0.344,967 0.186,968 0.091,969 16,970 6,971 0.097,972 3,973 1,974 1.133,975 3.122,976 143.151,977 0.133,978 15,979 78.711,981 1,984 1,985 12.425,986 4.816,987 2.428,988 1.541,989 77.503,990 15.689,991 4.202,994 1.188,995 0.84,997 16.405,998 311.033,999 31,1002 -3.521,1004 24.371,1011 29.545,1012 31.916,1013 0.38,1014 0.644,1015 0.846,1016 0.986,1017 0.986,1018 0.986,1019 4.682,1020 0.825,1021 5.509,1022 2.231,1023 4.111,1024 4.84,1026 6.385,1027 3.985,1028 5.948,1029 0.618,1030 7.116,1031 1.947,1032 3.892,1033 4.945,1035 7.695,1036 3.672,1037 7.317,1038 -0.042,1039 8.848,1040 1.372,1041 5.82,1042 7.257,1044 10.733,1045 5.554,1046 8.737,1047 -0.618,1048 10.66,1049 -0.112,1050 6.463,1051 8.215,1053 12.851,1054 6.076,1055 10.196,1056 -0.719,1057 12.522,1058 -1.478,1059 7.901,1060 10.019,1062 15.5,1063 7.472,1064 11.682,1065 -1,1066 14.417,1067 -1.913,1068 8.889,1069 11.32,1071 17.875,1072 8.34,1073 13.188,1074 -1.093,1075 16.333,1076 -2.902,1077 10.166,1078 12.951,1080 20.423,1081 9.559,1082 3.404,1083 -1.263,1084 18.265,1085 -2.977,1086 11.288,1087 14.39,1089 22.886,1090 10.57,1091 2.989,1092 12.538,1093 20.207,1094 -3,1095 12.513,1096 15.958,1098 25.409,1099 11.722,1100 2.134,1101 10.135,1102 22.157,1103 4.72,1104 13.686,1105 17.453,1107 27.905,1108 12.792,1109 1.921,1110 6.319,1111 24.114,1112 4.407,1113 14.897,1114 18.999,1116 30.423,1117 13.918,1118 1.618,1119 5.217,1120 26.075,1121 3.083,1122 16.092,1123 20.516,1125 32.934,1126 15.013,1127 1.271,1128 3.77,1129 28.04,1130 2.836,1131 17.301,1132 22.055,1134 35.454,1135 16.131,1136 0.954,1137 2.831,1138 30.009,1139 2.427,1140 18.506,1141 23.582,1143 37.972,1144 17.236,1145 3046,1146 5708,1147 14.099,1148 22.261,1149 31.602,1150 32.079,1151 31.654,1152 31.391,1153 31.466,1154 45.752,1156 92.724,1157 29.494,1158 5.701,1159 6.686,1160 7.002,1161 5.458,1162 5.404,1163 7.72,1165 19.997,1166 5.097,1167 6.793,1168 1.505,1169 1.528,1170 1.507,1171 1.495,1172 1.498,1173 2.179,1175 4.415,1176 1.404,1177 4.121,1178 4.125,1179 4.785,1180 4.124,1181 7.717,1182 4.039,1183 3.969,1184 3.948,1185 4.037,1186 3.957,1187 6.999,1188 3.903,1189 3.552,1190 3.56,1191 3.97,1192 3.504,1193 4.997,1194 3.412,1195 3.419,1196 3.443,1197 3.34,1198 3.335,1199 4.623,1200 3.308,1201 2.976,1202 3.02,1203 2.919,1204 2.839,1205 4.399,1206 2.84,1207 2.664,1208 2.722,1209 2.682,1210 2.572,1211 4.002,1212 2.558,1213 2.483,1214 2.581,1215 2.539,1216 2.376,1217 3.611,1218 2.252,1219 2.39,1220 2.467,1221 2.327,1222 2.239,1223 3.405,1224 2.227,1225 0.232,1226 0.223,1227 0.348,1228 0.205,1229 0.162,1230 4.864,1231 0.225,1232 4.686,1234 7.313,1235 0.597,1236 4.309,1237 0.147,1238 3.404,1239 4.72,1241 12.538,1242 3.097,1243 2.039,1244 2.019,1245 2.103,1246 2.126,1247 1.227,1248 2.13,1249 1.71,1250 1.765,1251 1.654,1252 1.786,1253 0.923,1254 1.851,1255 1.451,1256 1.408,1257 1.633,1258 1.575,1259 0.656,1260 1.598,1261 1.416,1262 1.392,1263 1.285,1264 1.504,1265 0.637,1266 1.554,1267 1.03,1268 1.005,1269 1.123,1270 1.159,1271 0.268,1272 1.196,1273 0.811,1274 0.814,1275 0.948,1276 0.963,1277 0.059,1278 1.016,1279 0.688,1280 0.636,1281 0.874,1282 0.838,1283 0.012,1284 0.878,1285 0.409,1286 0.326,1287 0.633,1288 0.708,1290 0.725,1291 3.761,1293 5.094,1294 2.398,1295 6.629,1296 4.443,1297 8.258,1298 6.326,1299 9.934,1309 2.606,1318 20.954,1319 53.556,1320 90.701,1321 119.23,1322 138.881,1323 138.881,1324 138.881,1325 31.231,1326 6.475,1327 59.06,1328 95.68,1329 17,1330 12.204,1331 4.248,1332 3.459,1333 27.684,1334 51,1335 41,1336 0.273,1337 136.642,1338 221.8,1339 325.166,1340 4786,1342 13.295,1343 0.7,1344 0.6,1345 13.898,1346 11.409,1347 9.167,1348 0.437,1349 0.378,1350 5.716,1351 7.778,1352 5.394,1353 4.475,1354 10.442,1355 7.931,1356 8.573,1357 0.286,1358 0.226,1359 10.492,1360 6.77,1361 6.972,1362 0.179,1363 0.139,1364 9.017,1365 5.413,1366 5.875,1367 0.117,1368 0.078,1369 7.708,1370 3.876,1371 4.297,1372 0.075,1373 0.043,1374 5.692,1375 2.468,1376 0.41,1377 69.587,1378 0.266,1379 18.648,1380 0.803,1381 102,1382 325.17,1383 174.491,1384 359.21,1385 486.1,1386 330,1387 120,1388 314.968,1389 194.492,1390 370.898,1391 540.24,1392 347,1393 4.303}
{0 CHEMBL1345017,1 1.432,2 6.111,3 3.124,4 9.758,5 71.873,6 7.312,7 0.286,8 3.627,9 3.728,10 3.209,11 3.217,12 4.606,13 3.193,14 4.233,15 4.393,16 3.621,17 3.67,18 5.236,19 3.623,20 4.527,21 4.735,22 3.699,23 3.844,24 5.408,25 3.765,26 4.53,27 4.743,28 3.569,29 3.802,30 5.378,31 3.699,32 4.438,33 4.648,34 3.364,35 3.672,36 5.292,37 3.537,38 4.385,39 4.661,40 2.928,41 3.333,42 5.249,43 3.16,44 3.85,45 4.143,46 2.321,47 2.757,48 4.736,49 2.572,50 3.197,51 3.475,52 1.317,53 1.902,54 4.329,55 1.706,56 0.004,57 0.454,58 6.877,59 3.29,60 2.536,61 4.178,62 0.17,63 0.819,64 14.053,65 5.796,66 18.971,67 7.679,68 0.136,69 1.062,70 20.089,71 8.028,72 18.963,73 10.832,74 0.246,75 1.039,76 20.616,77 8.064,78 19.124,79 10.782,80 0.081,81 0.932,82 18.379,83 7.794,84 14.639,85 10.459,86 0.318,87 0.815,88 19.978,89 6.877,90 32.822,91 9.368,92 0.144,93 0.466,94 11.77,95 4.076,96 19.15,97 5.625,98 0.138,99 0.215,100 6.405,101 1.912,102 23.627,103 2.417,104 2,105 31,106 0.267,107 0.615,108 0.761,109 0.783,110 0.817,111 0.851,112 2.965,113 0.952,114 -4.2,115 -4.14,116 -3.92,119 45.5,121 4,125 2,134 2,141 1,142 3,143 2,156 1,171 8,173 1,174 8,182 8,186 7,194 9,198 1,199 5,207 11,213 4,221 7,225 1,226 4,234 2,239 1,251 1,274 268,275 12.516,276 12.516,277 12.516,278 12.516,279 12.516,280 11.528,281 17.227,282 7.258,283 12.704,284 10.403,285 10.403,286 10.403,287 10.403,288 10.403,289 8.638,290 21.139,291 3.455,292 10.713,293 3.612,294 1.751,295 0.97,296 0.848,297 0.667,298 0.485,299 3.67,304 1,305 1,306 1,307 250,308 1.871,312 95.212,316 158.128,318 48.763,319 0.914,320 14.108,322 1,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 38.5,332 110,333 4.63,334 3.67,335 6.98,336 4.278,337 3.306,338 4.335,339 1.674,340 11.9,341 3.214,342 4,343 3.424,344 6.209,345 3.685,346 2.732,347 3.352,348 0.8,349 9.155,350 2.599,351 3.52,352 2.831,353 5.393,354 3.198,355 2.209,356 2.78,358 6.775,359 2.188,360 3.492,361 2.457,362 5.116,363 3.15,364 2.154,365 2.727,367 6.023,368 2.118,369 3.026,370 2.113,371 4.929,372 2.806,373 1.835,374 2.066,376 5.555,377 1.771,378 2.589,379 1.62,380 4.079,381 2.332,382 1.359,383 1.516,385 3.319,386 1.317,387 2.323,388 1.409,389 3.849,390 2.258,391 1.27,392 1.307,394 2.977,395 1.252,396 2.272,397 1.151,398 3.474,399 1.917,400 0.957,401 1.168,403 2.352,404 0.911,405 1.618,406 0.9,407 2.969,408 1.223,409 0.225,410 0.291,412 0.564,413 0.222,414 1.044,415 0.247,416 2.727,417 0.715,418 -0.286,419 -0.363,421 -0.72,422 -0.283,423 0.801,424 -0.159,425 2.423,426 0.557,427 -0.401,428 -0.449,430 -1.157,431 -0.382,432 0.523,433 -0.356,434 2.346,435 0.314,436 -0.676,437 -0.716,439 -1.686,440 -0.667,441 0.393,442 -0.469,443 2.272,444 0.151,445 -0.837,446 -1.036,448 -2.275,449 -0.812,450 0.124,451 -0.873,452 1.906,453 -0.048,454 -1.039,455 -1.164,457 -2.986,458 -1.027,459 -0.137,460 -0.938,461 1.788,462 -0.402,463 -1.396,464 -1.731,466 -3.626,467 -1.381,468 8.567,469 0.476,470 0.432,471 0.024,472 22,473 1.222,474 10,475 0.556,476 12,477 0.667,478 14.35,479 0.797,480 19.033,481 0.577,482 12.6,483 0.7,484 3.928,485 0.218,486 4.898,487 0.272,488 0.039,490 0.397,493 0.687,494 1.22,495 0.742,496 1.053,497 0.483,498 0.929,499 0.665,500 1.056,501 0.83,502 0.958,503 0.378,504 0.912,505 0.811,506 1.009,507 0.866,508 0.956,509 0.576,510 0.919,511 0.955,512 0.917,513 1.047,514 0.97,515 0.681,516 1.01,517 0.754,518 1.318,519 1.127,520 1.365,521 0.648,522 1.318,523 1.286,524 0.856,525 1.09,526 0.901,527 1.299,528 0.964,529 1.2,530 0.828,531 0.999,532 0.899,533 1.649,534 0.92,535 2.456,536 0.72,537 1.445,538 0.792,539 4.501,540 0.959,541 3,543 2,544 1.375,545 1.396,546 0.347,547 0.262,548 0.075,549 0.02,551 2643,552 5928,553 2.253,554 45.5,555 4,556 7,561 4,564 1.595,565 2.16,566 2.67,567 -0.818,569 1,570 1,571 1,573 47.258,574 1.432,575 3.294,576 4.075,577 4.196,578 4.378,579 4.56,580 2.124,581 3.461,582 4.149,583 2.698,584 412.723,585 7.077,586 3687.36,587 1,588 1,590 1,591 166.465,592 1.233,593 4.124,594 0.143,596 0.065,597 0.042,598 0.05,599 0.017,600 0.022,601 0.012,602 0.02,604 0.37,605 1,606 1,607 0.463,608 72.792,609 0.004,610 -0.125,611 0.085,612 -0.032,613 0.021,614 0.025,615 0.156,616 0.024,617 0.066,618 0.02,619 0.19,620 0.033,621 -0.023,622 0.004,623 0.067,624 0.019,625 0.037,626 0.053,627 -0.048,628 0.079,629 -0.098,631 -0.035,632 -0.045,633 -0.004,634 -0.376,635 -0.203,636 -0.375,637 0.01,638 -0.33,639 -0.059,640 0.032,641 -0.031,642 0.041,643 -0.082,644 0.01,645 -0.063,646 0.034,647 0.068,648 0.048,649 -0.111,650 0.074,651 -0.425,652 0.088,653 -0.264,654 0.115,655 -0.658,656 -0.031,657 1.911,658 4.439,659 0.944,660 8.444,661 0.998,662 1.116,663 2.972,664 8.835,665 0.674,666 3.091,667 3.466,668 3.829,669 4.205,670 4.554,671 4.663,672 4.844,673 4.997,674 5.136,675 4.984,676 3.796,677 0.641,678 241.31,679 3.091,680 4.654,681 5.549,682 6.469,683 7.385,684 8.311,685 9.233,686 10.161,687 11.086,688 12.014,689 3,695 1,707 1,712 5,714 6,727 1,733 33,735 8,736 1,737 21,739 36,740 15,741 6,742 5,743 1,744 3,747 4,748 12,757 4,760 4,762 9,763 6,766 2,771 1,773 2,775 1,779 1,782 15,783 3,785 3,791 1,796 0.25,797 2,816 4,820 4,822 1,832 1,835 2,845 1,854 18,862 6,865 1,868 1,878 6.1,881 1,883 1,885 8.333,886 6.033,887 3.806,888 2.319,890 1.745,891 1.239,892 1.049,893 2.197,894 9.053,895 3.296,896 3.882,897 4.497,898 5.101,899 5.704,900 6.042,901 6.408,902 6.707,903 6.988,904 6.845,905 1,906 33,907 6.704,909 2.992,910 7.583,911 13.287,913 11.846,915 2.083,916 37.5,917 0.003,920 176.567,921 67.527,922 3.124,924 36.145,927 67.527,928 212.711,929 3.124,931 14.35,932 28.429,933 32.336,934 31.681,936 176.567,938 176.567,939 70.651,940 36.145,943 129.482,944 83.229,947 14.35,948 37.349,949 18.952,951 176.567,952 39.269,953 67.527,956 176.567,957 39.098,958 31.553,960 36.145,961 176.567,962 39.269,963 67.527,965 0.591,966 0.358,967 0.215,968 0.131,969 19,970 7,973 4,974 1.412,975 3.017,976 147.809,977 0.471,978 16,979 73.059,985 10.478,986 3.774,987 1.515,989 39.269,990 2.203,995 5.928,998 283.362,999 26,1004 11.439,1006 3.413,1008 -0.244,1011 32.942,1012 36.824,1013 0.284,1014 0.653,1015 0.808,1016 0.832,1017 0.868,1018 0.904,1019 4.58,1020 0.957,1021 5.549,1022 2.977,1023 4.143,1024 4.564,1025 2.024,1026 6.431,1027 4.085,1028 5.778,1029 0.225,1030 7.141,1031 2.352,1032 3.761,1033 4.46,1034 0.325,1035 7.448,1036 3.672,1037 7.102,1038 -0.286,1039 8.837,1040 0.564,1041 5.79,1042 6.74,1043 2.844,1044 10.626,1045 5.67,1046 8.46,1047 -0.401,1048 10.594,1049 -0.72,1050 6.236,1051 7.476,1052 0.268,1053 12.503,1054 6.08,1055 9.855,1056 -0.676,1057 12.393,1058 -1.157,1059 7.744,1060 9.257,1061 3.814,1062 15.207,1063 7.56,1064 11.275,1065 -0.837,1066 14.221,1067 -1.686,1068 8.592,1069 10.382,1070 0.188,1071 17.439,1072 8.374,1073 12.716,1074 -1.039,1075 16.07,1076 -2.275,1077 9.891,1078 11.971,1079 4.826,1080 19.985,1081 9.647,1082 3.306,1083 -1.396,1084 17.936,1085 -2.986,1086 10.929,1087 13.278,1088 0.125,1089 22.361,1090 10.653,1091 2.732,1092 11.9,1093 19.816,1094 -3.626,1095 12.15,1096 14.792,1097 5.851,1098 24.856,1099 11.848,1100 2.209,1101 9.155,1102 21.705,1103 4.335,1104 13.273,1105 16.183,1106 0.082,1107 27.289,1108 12.941,1109 2.154,1110 6.775,1111 23.604,1112 3.352,1113 14.468,1114 17.668,1115 6.88,1116 29.768,1117 14.11,1118 1.835,1119 6.023,1120 25.509,1121 2.78,1122 15.628,1123 19.098,1124 0.054,1125 32.224,1126 15.242,1127 1.359,1128 5.555,1129 27.419,1130 2.727,1131 16.816,1132 20.571,1133 7.91,1134 34.699,1135 16.405,1136 1.27,1137 3.319,1138 29.335,1139 2.066,1140 17.993,1141 22.02,1142 0.035,1143 37.166,1144 17.554,1145 2480,1146 3823,1147 14.622,1148 22.245,1149 32.658,1150 33.423,1151 32.852,1152 32.118,1153 32.097,1154 39.082,1155 4.949,1156 97.239,1157 31.185,1158 5.586,1159 5.67,1160 6.551,1161 5.366,1162 5.306,1163 7.335,1164 3.349,1165 19.465,1166 5.214,1167 4.947,1168 1.555,1169 1.592,1170 1.564,1171 1.529,1172 1.528,1173 1.861,1174 0.236,1175 4.63,1176 1.485,1177 4.083,1178 4.109,1179 4.037,1180 4.003,1181 7.434,1182 4.008,1183 3.703,1184 3.734,1185 3.626,1186 3.556,1187 4.822,1188 3.564,1189 3.526,1190 3.593,1191 3.361,1192 3.407,1193 4.361,1194 3.387,1195 3.309,1196 3.344,1197 3.215,1198 3.172,1199 4.069,1200 3.173,1201 2.938,1202 3.002,1203 2.824,1204 2.752,1205 3.887,1206 2.755,1207 2.867,1208 2.948,1209 2.665,1210 2.648,1211 3.814,1212 2.639,1213 2.756,1214 2.797,1215 2.614,1216 2.543,1217 3.331,1218 2.562,1219 2.499,1220 2.55,1221 2.371,1222 2.294,1223 3.239,1224 2.318,1225 0.22,1226 0.175,1227 0.332,1228 0.204,1229 0.157,1230 4.63,1231 0.206,1232 3.67,1233 0.08,1234 6.98,1235 0.567,1236 4.278,1237 0.153,1238 3.306,1239 4.335,1240 1.674,1241 11.9,1242 3.214,1243 2.038,1244 2.016,1245 2.142,1246 2.143,1247 1.455,1248 2.144,1249 1.661,1250 1.625,1251 1.823,1252 1.832,1253 1.165,1254 1.825,1255 1.555,1256 1.492,1257 1.82,1258 1.719,1259 1.003,1260 1.758,1261 1.281,1262 1.242,1263 1.477,1264 1.446,1265 0.636,1266 1.454,1267 0.912,1268 0.851,1269 1.246,1270 1.166,1271 0.488,1272 1.195,1273 0.863,1274 0.771,1275 1.203,1276 1.1,1277 0.442,1278 1.135,1279 0.672,1280 0.642,1281 0.902,1282 0.972,1283 0.044,1284 0.943,1285 0.445,1286 0.406,1287 0.751,1288 0.707,1290 0.733,1291 3.761,1293 5.118,1295 6.706,1297 8.405,1299 10.164,1307 6.848,1310 5.45,1313 2.462,1318 21.139,1319 47.258,1320 108.691,1321 134.465,1322 138.465,1323 144.465,1324 150.465,1325 20.094,1326 7.308,1327 33.45,1328 33.45,1329 24,1330 12.518,1331 3.17,1332 2.585,1333 22.447,1334 43,1335 38,1336 0.284,1337 125.232,1338 223.1,1339 297.326,1340 13240,1342 12.113,1343 0.673,1344 0.569,1345 12.113,1346 10.238,1347 8.826,1348 0.42,1349 0.317,1350 6.593,1351 8.541,1352 6.486,1353 5.288,1354 8.826,1355 6.664,1356 8.201,1357 0.265,1358 0.169,1359 8.201,1360 5.23,1361 7.311,1362 0.162,1363 0.091,1364 7.311,1365 4.103,1366 6.724,1367 0.102,1368 0.051,1369 6.724,1370 3.393,1371 6.182,1372 0.066,1373 0.029,1374 6.182,1375 2.706,1376 0.411,1377 54.928,1378 0.262,1379 17.194,1380 0.899,1381 104,1382 271.116,1383 112.946,1384 258.354,1385 363.79,1386 244,1387 128,1388 278.726,1389 137.144,1390 278.699,1391 419.19,1392 265,1393 5.148}
{0 CHEMBL1345175,1 1.524,2 7,3 3.254,4 10.585,5 79.649,6 7.417,7 0.524,8 3.703,9 3.834,10 3.29,11 3.278,12 4.712,13 3.213,14 4.265,15 4.458,16 3.67,17 3.673,18 5.162,19 3.591,20 4.565,21 4.814,22 3.727,23 3.843,24 5.353,25 3.705,26 4.651,27 4.926,28 3.711,29 3.854,30 5.45,31 3.701,32 4.578,33 4.83,34 3.79,35 3.863,36 5.49,37 3.692,38 4.467,39 4.706,40 3.484,41 3.738,42 5.405,43 3.523,44 4.245,45 4.523,46 2.919,47 3.403,48 5.046,49 3.167,50 3.992,51 4.324,52 2.206,53 2.962,54 4.65,55 2.689,56 0.053,57 0.591,58 8.874,59 3.608,60 8.275,61 4.833,62 0.155,63 0.966,64 16.217,65 5.643,66 13.774,67 8.3,68 0.156,69 1.186,70 23.442,71 8.18,72 19.524,73 11.671,74 0.286,75 1.262,76 27.083,77 8.676,78 24.92,79 12.15,80 0.23,81 1.231,82 27.733,83 8.932,84 27.829,85 11.59,86 0.251,87 1.107,88 29.529,89 8.5,90 32.859,91 10.39,92 0.146,93 0.787,94 19.441,95 6.549,96 21.285,97 8.806,98 0.125,99 0.539,100 14.405,101 4.761,102 16.056,103 6.834,104 5,105 29,106 0.278,107 0.605,108 0.78,109 0.869,110 0.888,111 0.888,112 3.012,113 1.037,114 -4.76,115 -4.68,116 -4.39,119 37.8,120 1,121 4,122 1,127 1,141 2,142 1,144 2,159 1,160 1,164 1,171 7,173 2,174 6,182 6,186 7,194 4,198 2,199 8,207 3,212 1,213 7,221 5,226 4,234 6,239 3,247 4,251 1,259 1,274 423,275 13.035,276 13.035,277 13.035,278 13.035,279 13.035,280 11.697,281 5.872,282 7.819,283 13.334,284 10.366,285 10.366,286 10.366,287 10.366,288 10.366,289 8.431,290 3.682,291 3.691,292 10.88,293 3.685,294 1.895,295 0.939,296 0.453,297 0.345,298 0.345,299 3.689,304 1,305 1,306 1,307 286,308 1.732,311 47.396,312 108.772,319 0.947,320 10.793,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 40,332 133,333 4.554,334 3.894,335 6.95,336 4.187,337 3.255,338 4.225,340 11.723,341 3.044,342 3.893,343 3.028,344 6.046,345 3.657,346 2.671,347 3.371,349 8.572,350 2.631,351 3.577,352 2.687,353 5.48,354 3.253,355 2.316,356 2.683,358 6.763,359 2.158,360 3.089,361 1.994,362 4.477,363 2.589,364 1.666,365 2.322,367 4.173,368 1.533,369 2.663,370 1.576,371 4.276,372 2.456,373 1.492,374 1.694,376 3.843,377 1.43,378 2.529,379 1.414,380 3.697,381 2.414,382 1.414,383 1.543,385 3,386 1.414,387 2.5,388 1.239,389 3.554,390 2.001,391 1.064,392 1.5,394 2.575,395 0.988,396 2.414,397 1,398 3.487,399 1.954,400 1,401 1.414,403 2.136,404 0.951,405 2.077,406 0.824,407 3.247,408 1.784,409 0.817,410 1.002,412 2.093,413 0.788,414 1.031,415 0.454,416 2.62,417 0.876,418 -0.083,419 -0.089,421 -0.186,422 -0.078,423 0.707,424 -0.225,425 2.235,426 0.439,427 -0.508,428 -0.554,430 -1.177,431 -0.469,432 0.5,433 -0.658,434 2,435 0.15,436 -0.802,437 -0.935,439 -1.819,440 -0.73,441 0.484,442 -0.827,443 2,444 -0.014,445 -0.926,446 -1.104,448 -2.254,449 -0.868,450 0.147,451 -1,452 1.621,453 -0.028,454 -1,455 -1.414,457 -2.347,458 -0.974,459 0.007,460 -1.284,461 1.555,462 -0.414,463 -1.371,464 -1.5,466 -3.459,467 -1.281,468 9.433,469 0.496,470 0.401,471 0.021,472 22.75,473 1.197,474 10.5,475 0.553,476 12.25,477 0.645,478 16.927,479 0.891,480 20.567,481 0.556,482 12.479,483 0.657,484 3.853,485 0.203,486 5.418,487 0.285,488 0.141,490 0.307,493 0.724,494 1.325,495 0.877,496 1.101,497 0.685,498 1.031,499 0.722,500 1.205,501 0.7,502 0.984,503 0.546,504 1.004,505 0.834,506 1.104,507 0.719,508 0.895,509 0.562,510 0.951,511 1.126,512 0.831,513 0.825,514 0.759,515 0.834,516 0.84,517 1.166,518 1.007,519 1.109,520 0.997,521 1.155,522 0.933,523 1.593,524 1.144,525 1.889,526 1.532,527 1.947,528 1.261,529 1.028,530 1.004,531 1.215,532 1.172,533 1.336,534 1.203,535 0.873,536 0.76,537 0.852,538 0.853,539 1.081,540 0.994,541 2.5,543 2.222,544 1.438,545 1.143,546 0.622,547 0.209,548 0.099,549 0.053,551 2972,552 6866,553 2.113,554 48.6,555 9,556 3,558 2,559 1,561 3,564 1.611,565 2,566 2.827,567 -0.249,569 1,571 1,573 56.388,574 1.524,575 3.315,576 4.27,577 4.757,578 4.865,579 4.865,580 2.204,581 3.932,582 4.222,583 2.894,584 494.865,585 7.228,586 4755.82,587 1,588 1,589 1,590 1,591 192.75,592 1.324,593 4.189,594 0.119,596 0.077,597 0.05,598 0.041,599 0.022,600 0.011,601 0.009,602 0.011,604 0.339,605 0.5,606 1,607 0.565,608 80.17,609 0.166,610 -0.149,611 -0.019,612 -0.106,613 0.16,614 -0.036,615 0.247,616 -0.137,617 0.076,618 -0.099,619 0.226,620 -0.045,621 0.048,622 -0.147,623 0.109,624 0.003,625 0.176,626 0.019,627 -0.003,628 0.135,629 0.074,630 0.132,631 0.061,632 0.099,633 -0.054,634 0.022,635 0.033,636 0.069,637 0.019,638 0.043,639 -0.386,640 -0.04,641 -0.429,642 -0.266,643 -0.467,644 -0.263,645 -0.178,646 -0.085,647 -0.226,648 -0.182,649 -0.293,650 -0.218,651 -0.077,652 0.029,653 -0.045,654 -0.009,655 -0.183,656 -0.031,657 0.961,658 1.292,659 0.895,660 10.936,661 0.991,662 1.13,663 3.532,664 12.478,665 0.676,666 3.091,667 3.401,668 3.714,669 4.007,670 4.19,671 4.143,672 4.19,673 4.205,674 4.143,675 3.97,676 4.306,677 0.621,678 274.43,679 3.091,680 4.615,681 5.476,682 6.361,683 7.246,684 8.141,685 9.034,686 9.932,687 10.83,688 11.729,689 10.8,697 1,699 3,707 4,708 3,712 3,713 1,714 11,733 37,735 11,737 21,739 39,740 14,741 7,747 3,748 3,753 1,757 5,758 1,760 5,762 7,763 7,764 1,778 1,779 1,782 18,783 3,785 5,786 1,791 4,796 1,809 1,815 1,816 2,845 3,848 1,850 1,854 19,862 4,863 1,867 2,875 1,885 9.5,886 6.75,887 4.222,888 2.469,890 2.087,891 1.321,892 0.961,893 3.673,894 8.594,895 3.314,896 3.866,897 4.444,898 5.02,899 5.419,900 5.601,901 5.939,902 6.2,903 6.389,904 6.411,905 0.8,906 29,907 7.011,909 2.938,910 7.494,911 13.854,913 11.656,915 1.994,916 37.889,917 0.002,920 210.927,921 100.781,922 52.011,926 38.564,927 62.217,928 210.927,929 52.011,930 8.825,931 10.138,932 18.952,933 86.8,934 23.873,936 215.13,938 210.927,939 114.228,941 38.564,943 175.614,944 35.313,947 41.978,948 22.138,949 50.112,950 38.564,951 210.927,952 52.011,953 100.781,956 210.927,957 16.345,958 47.772,960 88.675,961 210.927,962 52.011,963 100.781,965 0.575,966 0.349,967 0.202,968 0.112,969 15,970 6,971 0.051,972 2,974 1,975 3.1,976 144.67,978 17,979 80.711,980 1,985 12.832,986 5.438,987 2.451,989 50.112,990 7.557,991 12.614,995 2.6,996 2.184,998 363.719,999 26.5,1011 36.669,1012 41.82,1013 0.293,1014 0.636,1015 0.82,1016 0.913,1017 0.934,1018 0.934,1019 4.541,1020 1,1021 5.451,1022 2.575,1023 4.078,1024 4.549,1026 6.29,1027 3.982,1028 5.714,1029 0.817,1030 7.022,1031 2.136,1032 3.611,1033 4.205,1035 7.29,1036 3.435,1037 7.005,1038 -0.083,1039 8.706,1040 2.093,1041 5.673,1042 6.671,1044 10.46,1045 5.476,1046 8.337,1047 -0.508,1048 10.459,1049 -0.186,1050 6.111,1051 7.258,1053 12.364,1054 5.823,1055 9.712,1056 -0.802,1057 12.259,1058 -1.177,1059 7.614,1060 9.144,1062 15.047,1063 7.3,1064 11.116,1065 -0.926,1066 14.091,1067 -1.819,1068 8.462,1069 10.168,1071 17.29,1072 8.056,1073 12.543,1074 -1,1075 15.945,1076 -2.254,1077 9.749,1078 11.806,1080 19.821,1081 9.304,1082 3.255,1083 -1.371,1084 17.816,1085 -2.347,1086 10.779,1087 13.041,1089 22.195,1090 10.246,1091 2.671,1092 11.723,1093 19.699,1094 -3.459,1095 11.985,1096 14.568,1098 24.676,1099 11.401,1100 2.316,1101 8.572,1102 21.591,1103 4.225,1104 13.095,1105 15.906,1107 27.102,1108 12.428,1109 1.666,1110 6.763,1111 23.491,1112 3.371,1113 14.275,1114 17.384,1116 29.568,1117 13.547,1118 1.492,1119 4.173,1120 25.398,1121 2.683,1122 15.42,1123 18.773,1125 32.014,1126 14.614,1127 1.414,1128 3.843,1129 27.309,1130 2.322,1131 16.593,1132 20.229,1134 34.476,1135 15.721,1136 1.064,1137 3,1138 29.224,1139 1.694,1140 17.755,1141 21.643,1143 36.931,1144 16.807,1145 2921,1146 4576,1147 14.216,1148 25,1149 31.879,1150 33.03,1151 32.715,1152 31.447,1153 31.391,1154 39.509,1156 89.752,1157 29.878,1158 5.554,1159 5.894,1160 6.752,1161 5.224,1162 5.255,1163 7.225,1165 19.061,1166 5.044,1167 7.003,1168 1.518,1169 1.573,1170 1.558,1171 1.497,1172 1.495,1173 1.881,1175 4.274,1176 1.423,1177 4.041,1178 4.095,1179 4.067,1180 3.898,1181 5.111,1182 3.907,1183 3.828,1184 3.878,1185 3.738,1186 3.726,1187 4.841,1188 3.719,1189 3.623,1190 3.688,1191 3.658,1192 3.45,1193 4.289,1194 3.45,1195 3.289,1196 3.379,1197 3.185,1198 3.129,1199 4.023,1200 3.1,1201 3.054,1202 3.147,1203 3.059,1204 2.888,1205 3.814,1206 2.858,1207 2.837,1208 2.891,1209 2.844,1210 2.803,1211 3.786,1212 2.736,1213 2.734,1214 2.815,1215 2.635,1216 2.54,1217 3.659,1218 2.533,1219 2.682,1220 2.804,1221 2.558,1222 2.45,1223 3.49,1224 2.401,1225 0.217,1226 0.185,1227 0.331,1228 0.199,1229 0.155,1230 4.554,1231 0.201,1232 3.894,1234 6.95,1235 0.558,1236 4.187,1237 0.145,1238 3.255,1239 4.225,1241 11.723,1242 3.044,1243 1.927,1244 1.879,1245 2.115,1246 2.071,1247 1.512,1248 2.087,1249 1.82,1250 1.779,1251 1.939,1252 1.949,1253 1.008,1254 1.952,1255 1.375,1256 1.318,1257 1.675,1258 1.579,1259 0.921,1260 1.6,1261 1.319,1262 1.238,1263 1.533,1264 1.533,1265 0.837,1266 1.562,1267 1.089,1268 1.033,1269 1.309,1270 1.369,1271 0.479,1272 1.314,1273 1.017,1274 0.939,1275 1.168,1276 1.235,1277 0.296,1278 1.282,1279 0.752,1280 0.664,1281 1.008,1282 0.997,1283 0.119,1284 1.039,1285 0.687,1286 0.584,1287 0.995,1288 0.954,1290 0.99,1291 3.761,1293 5.069,1294 2.398,1295 6.589,1296 4.727,1297 8.204,1298 6.823,1299 9.869,1301 2.31,1307 5.041,1308 4.489,1312 1.095,1318 22.96,1319 56.388,1320 122.644,1321 157.995,1322 175.995,1323 179.995,1324 179.995,1325 23.371,1326 6.507,1327 43.6,1328 82.4,1329 17,1330 12.252,1331 3.585,1332 2.7,1333 27.523,1334 47,1335 48,1336 0.29,1337 146.554,1338 241.19,1339 349.352,1340 4863,1342 13.242,1343 0.697,1344 0.628,1345 13.742,1346 11.923,1347 9.271,1348 0.441,1349 0.346,1350 6.784,1351 8.749,1352 6.582,1353 5.49,1354 9.56,1355 7.261,1356 8.12,1357 0.28,1358 0.195,1359 8.49,1360 5.664,1361 7.034,1362 0.176,1363 0.108,1364 7.371,1365 4.3,1366 6.031,1367 0.112,1368 0.06,1369 6.361,1370 3.248,1371 4.851,1372 0.075,1373 0.037,1374 5.217,1375 2.387,1376 0.428,1377 60.42,1378 0.265,1379 18.483,1380 0.886,1381 100,1382 246.678,1383 121.945,1384 260.908,1385 362.73,1386 244,1387 119,1388 270.924,1389 138.597,1390 280.668,1391 410.67,1392 264,1393 4.86}
{0 CHEMBL1345758,1 1.767,2 7.2,3 3.189,4 10.168,5 79.787,6 8.708,7 0.727,8 3.634,9 3.725,10 3.347,11 3.185,12 4.828,13 3.173,14 4.101,15 4.239,16 3.7,17 3.499,18 5.232,19 3.495,20 4.201,21 4.357,22 3.69,23 3.578,24 5.267,25 3.52,26 4.279,27 4.456,28 3.677,29 3.596,30 5.367,31 3.532,32 4.304,33 4.489,34 3.813,35 3.626,36 5.45,37 3.564,38 4.296,39 4.494,40 3.689,41 3.617,42 5.398,43 3.495,44 4.124,45 4.339,46 3.179,47 3.356,48 5.138,49 3.175,50 3.844,51 4.077,52 2.708,53 2.987,54 4.782,55 2.821,56 0.068,57 0.497,58 6.197,59 3.088,60 6.981,61 3.323,62 0.244,63 0.772,64 11.343,65 4.369,66 15.605,67 4.921,68 0.271,69 0.829,70 13.269,71 5.375,72 18.132,73 6.062,74 0.316,75 0.926,76 15.794,77 5.726,78 21.798,79 6.443,80 0.361,81 0.927,82 16.323,83 6.012,84 26.293,85 6.93,86 0.315,87 0.936,88 19.349,89 6.612,90 28.569,91 6.971,92 0.331,93 0.724,94 18.323,95 6.296,96 27.93,97 6.962,98 0.187,99 0.495,100 15.437,101 5.213,102 19.744,103 5.924,104 6,105 30,106 0.326,107 0.657,108 0.794,109 0.881,110 0.892,111 0.892,112 3.059,113 0.889,114 -4.08,115 -4.03,116 -3.81,119 42.4,124 1,125 1,141 6,142 1,143 1,149 1,150 1,159 1,160 1,164 1,171 5,173 2,174 6,182 4,185 1,186 6,194 2,198 2,199 7,212 3,213 7,221 1,226 4,234 2,238 1,239 3,247 3,251 2,259 3,271 1,274 492,275 13.853,276 13.853,277 13.853,278 13.853,279 13.853,280 11.869,281 12.242,282 8.268,283 14.259,284 10.803,285 10.803,286 10.803,287 10.803,288 10.803,289 7.901,290 15.636,291 3.825,292 11.396,293 3.278,294 1.478,295 0.735,296 0.265,297 0.205,298 0.205,299 3.736,304 1,305 1,306 1,307 308,308 2.236,311 102.453,312 61.097,319 1.12,320 14.169,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 43.5,332 144,333 4.546,334 3.876,335 6.792,336 4.13,337 3.192,338 4.255,339 0.86,340 11.174,341 3.005,342 4.066,343 3.141,344 6.063,345 3.652,346 2.703,347 3.645,348 0.522,349 8.653,350 2.582,351 3.862,352 2.804,353 5.33,354 3.414,355 2.444,356 3.434,358 6.887,359 2.338,360 3.148,361 2.413,362 4.992,363 2.725,364 1.815,365 2.364,367 5.332,368 1.646,369 2.917,370 1.775,371 4.166,372 2.459,373 1.491,374 2.085,376 3.505,377 1.436,378 2.756,379 1.544,380 3.893,381 2.354,382 1.393,383 1.843,385 3.192,386 1.333,387 2.526,388 1.254,389 3.592,390 2.011,391 1.058,392 1.537,394 2.651,395 0.998,396 2.45,397 1.065,398 3.39,399 1.971,400 1,401 1.428,403 2.34,404 0.968,405 2.118,406 0.94,407 3,408 1.618,409 0.618,410 0.927,412 1.372,413 0.618,414 1.666,415 0.618,416 2.8,417 1.366,418 0.489,419 0.559,421 0.774,422 0.424,423 1.209,424 0.526,425 2.657,426 0.908,427 -0.019,428 -0.023,430 -0.044,431 -0.018,432 0.742,433 -0.171,434 2.291,435 0.366,436 -0.583,437 -0.724,439 -1.259,440 -0.545,441 0.568,442 -0.272,443 2,444 0.121,445 -0.805,446 -0.97,448 -1.959,449 -0.689,450 0.422,451 -0.791,452 2,453 0.029,454 -0.9,455 -1.25,457 -2.163,458 -0.864,459 0.054,460 -1.08,461 1.572,462 -0.408,463 -1.331,464 -1.695,466 -3.229,467 -1.25,468 9.7,469 0.485,470 0.38,471 0.019,472 28.25,473 1.413,474 15,475 0.75,476 13.25,477 0.663,478 12.863,479 0.643,480 20.9,481 0.633,482 18.342,483 0.917,484 5.912,485 0.296,486 3.88,487 0.194,488 0.137,490 0.299,493 0.848,494 1.238,495 0.8,496 1.076,497 0.79,498 0.924,499 1.214,500 1.041,501 0.676,502 0.834,503 0.945,504 0.796,505 1.13,506 1.125,507 0.835,508 0.905,509 1.003,510 0.957,511 1.011,512 1.172,513 1.051,514 1.022,515 1.081,516 1.035,517 0.852,518 0.99,519 0.775,520 0.862,521 0.728,522 0.858,523 1.151,524 0.977,525 1.255,526 1.063,527 1.197,528 1.014,529 0.926,530 0.913,531 1.494,532 1.287,533 1.231,534 1.248,535 1.04,536 0.935,537 1.369,538 1.323,539 1.08,540 1.142,541 3,543 2.222,544 1.417,545 0.937,546 0.677,547 0.381,548 0.094,549 0.06,550 0.031,551 3518,552 10833,553 2.107,554 39.4,556 11,557 1,559 1,564 1.624,565 2,566 2.893,567 -0.222,569 1,571 1,573 58.301,574 1.767,575 3.566,576 4.309,577 4.779,578 4.84,579 4.84,580 2.261,581 3.784,582 4.295,583 3.01,584 571.978,585 7.37,586 5793.15,587 1,588 1,589 1,590 1,591 166.465,592 1.295,593 4.266,594 0.136,596 0.074,597 0.051,598 0.033,599 0.023,600 0.016,601 0.007,602 0.006,603 0.008,604 0.354,605 0.5,606 1,607 0.764,608 86.903,609 0.007,610 -0.174,611 -0.043,612 -0.171,613 -0.019,614 -0.073,615 -0.074,616 -0.019,617 0.075,618 0.002,619 -0.044,620 0.057,621 -0.092,622 -0.137,623 0.006,624 -0.002,625 -0.087,626 -0.05,627 -0.044,628 -0.113,629 -0.143,630 -0.112,631 -0.129,632 -0.141,633 0.148,634 0.037,635 0.157,636 0.065,637 0.259,638 0.065,639 -0.208,640 0.081,641 -0.089,642 0.02,643 -0.117,644 -0.047,645 0.012,646 0.04,647 -0.279,648 -0.153,649 -0.138,650 -0.205,651 -0.04,652 -0.115,653 -0.157,654 -0.178,655 -0.025,656 -0.025,657 1.137,658 1.87,659 0.8,660 13.2,661 1.014,662 1.118,663 2.851,664 8.125,665 0.709,666 3.135,667 3.434,668 3.738,669 4.007,670 4.111,671 4.159,672 4.234,673 4.22,674 4.127,675 4.043,676 4.649,677 0.676,678 287.37,679 3.135,680 4.654,681 5.509,682 6.385,683 7.262,684 8.146,685 9.031,686 9.919,687 10.806,688 11.696,689 9.1,697 1,699 2,707 7,708 2,710 1,712 5,713 1,714 16,730 1,733 33,735 16,736 1,737 22,739 35,740 14,741 12,742 2,743 4,747 3,748 3,762 12,763 2,778 1,779 1,781 1,782 13,783 4,785 6,786 1,791 3,796 1,797 2,815 2,816 1,845 3,848 1,850 1,854 20,862 1,863 1,865 1,875 1,878 6.1,883 2,885 10,886 6.217,887 4.528,888 1.751,890 2.929,891 1.446,892 0.98,893 3.804,894 9.49,895 3.434,896 4.043,897 4.649,898 5.235,899 5.558,900 5.838,901 6.238,902 6.538,903 6.772,904 6.972,905 0.8,906 28,907 7.303,909 3.009,910 7.703,911 13.834,913 10.892,915 2.203,916 44.056,917 0.001,920 152.072,921 137.048,922 35.225,924 20.507,926 38.564,927 98.485,928 172.579,929 35.225,930 10.883,931 2.106,932 68.597,933 46.472,934 31.528,935 17.22,936 168.046,938 152.072,939 133.71,940 20.507,941 38.564,943 152.072,944 20.507,947 7.026,948 93.358,949 33.326,950 38.564,951 152.072,952 55.732,953 137.048,956 152.072,957 19.005,958 81.379,960 92.397,961 152.072,962 55.732,963 137.048,965 0.569,966 0.348,967 0.198,968 0.098,969 15,970 6,971 0.114,972 4,974 1,975 3.229,976 152.561,978 16,979 86.439,980 1,985 13.277,986 5.73,987 2.627,989 53.833,990 13.063,991 8.219,993 5.368,995 3.658,996 1.875,998 344.852,999 30,1011 33.454,1012 36.91,1013 0.35,1014 0.707,1015 0.854,1016 0.947,1017 0.959,1018 0.959,1019 4.635,1020 1,1021 5.476,1022 2.651,1023 4.111,1024 4.727,1025 1.106,1026 6.293,1027 4.009,1028 5.838,1029 0.618,1030 7.034,1031 2.34,1032 3.611,1033 4.407,1035 7.235,1036 3.416,1037 7.139,1038 0.489,1039 8.7,1040 1.372,1041 5.694,1042 6.93,1043 0.807,1044 10.37,1045 5.49,1046 8.485,1047 -0.019,1048 10.432,1049 0.774,1050 6.111,1051 7.536,1053 12.2,1054 5.81,1055 9.867,1056 -0.583,1057 12.209,1058 -0.044,1059 7.597,1060 9.42,1061 0.615,1062 14.84,1063 7.281,1064 11.275,1065 -0.805,1066 14.015,1067 -1.259,1068 8.42,1069 10.449,1071 17.009,1072 8.011,1073 12.701,1074 -0.9,1075 15.843,1076 -1.959,1077 9.683,1078 12.071,1079 0.476,1080 19.495,1081 9.245,1082 3.192,1083 -1.331,1084 17.687,1085 -2.163,1086 10.685,1087 13.302,1089 21.802,1090 10.163,1091 2.703,1092 11.174,1093 19.543,1094 -3.229,1095 11.866,1096 14.812,1097 0.369,1098 24.237,1099 11.302,1100 2.444,1101 8.653,1102 21.409,1103 4.255,1104 12.948,1105 16.144,1107 26.602,1108 12.307,1109 1.815,1110 6.887,1111 23.282,1112 3.645,1113 14.103,1114 17.607,1115 0.284,1116 29.019,1117 13.411,1118 1.491,1119 5.332,1120 25.162,1121 3.434,1122 15.221,1123 18.989,1125 31.41,1126 14.459,1127 1.393,1128 3.505,1129 27.046,1130 2.364,1131 16.37,1132 20.435,1133 0.217,1134 33.822,1135 15.55,1136 1.058,1137 3.192,1138 28.935,1139 2.085,1140 17.506,1141 21.844,1143 36.225,1144 16.62,1145 3455,1146 6182,1147 14.909,1148 23.381,1149 32.836,1150 34.16,1151 33.492,1152 32.492,1153 32.406,1154 44.155,1155 2.763,1156 91.762,1157 30.7,1158 5.346,1159 5.876,1160 6.484,1161 5.179,1162 5.192,1163 7.255,1164 1.72,1165 18.518,1166 5.005,1167 7.513,1168 1.493,1169 1.553,1170 1.522,1171 1.477,1172 1.473,1173 2.007,1174 0.126,1175 4.171,1176 1.395,1177 4.038,1178 4.076,1179 4.067,1180 3.905,1181 5.137,1182 3.917,1183 3.869,1184 3.882,1185 3.812,1186 3.738,1187 5.034,1188 3.753,1189 3.682,1190 3.727,1191 3.747,1192 3.506,1193 4.81,1194 3.516,1195 3.249,1196 3.315,1197 3.205,1198 2.97,1199 4.382,1200 2.979,1201 2.94,1202 3.029,1203 3.062,1204 2.811,1205 4.018,1206 2.765,1207 2.834,1208 2.89,1209 2.78,1210 2.773,1211 3.741,1212 2.717,1213 2.744,1214 2.801,1215 2.619,1216 2.629,1217 3.621,1218 2.595,1219 2.42,1220 2.491,1221 2.506,1222 2.318,1223 3.584,1224 2.206,1225 0.207,1226 0.176,1227 0.309,1228 0.188,1229 0.145,1230 4.546,1231 0.193,1232 3.876,1233 0.039,1234 6.792,1235 0.508,1236 4.13,1237 0.137,1238 3.192,1239 4.255,1240 0.86,1241 11.174,1242 3.005,1243 1.904,1244 1.882,1245 2,1246 2.009,1247 1.123,1248 2.005,1249 1.627,1250 1.586,1251 1.767,1252 1.812,1253 0.966,1254 1.8,1255 1.413,1256 1.376,1257 1.587,1258 1.586,1259 0.624,1260 1.591,1261 1.198,1262 1.142,1263 1.573,1264 1.513,1265 0.574,1266 1.533,1267 1.151,1268 1.123,1269 1.248,1270 1.385,1271 0.33,1272 1.35,1273 1.098,1274 1.044,1275 1.12,1276 1.374,1277 0.165,1278 1.319,1279 0.811,1280 0.741,1281 1.062,1282 1.002,1283 0.087,1284 1.041,1285 0.622,1286 0.551,1287 0.886,1288 0.866,1290 0.902,1291 3.807,1293 5.106,1294 3.045,1295 6.6,1296 5.283,1297 8.186,1298 7.261,1299 9.824,1301 1.633,1307 0.52,1308 4.35,1310 5.37,1318 22.315,1319 58.301,1320 117.694,1321 142.2,1322 157.71,1323 159.71,1324 159.71,1325 22.394,1326 6.561,1327 53.08,1328 91.88,1329 16,1330 12.226,1331 4.087,1332 3.17,1333 29.7,1334 54,1335 49,1336 0.272,1337 141.898,1338 231.59,1339 337.99,1340 5319,1342 13.949,1343 0.697,1344 0.587,1345 14.449,1346 11.748,1347 9.792,1348 0.445,1349 0.296,1350 5.987,1351 9.052,1352 5.808,1353 4.838,1354 10.081,1355 6.52,1356 8.385,1357 0.28,1358 0.153,1359 8.756,1360 4.589,1361 7.359,1362 0.179,1363 0.081,1364 7.717,1365 3.304,1366 6.182,1367 0.114,1368 0.041,1369 6.457,1370 2.238,1371 4.452,1372 0.074,1373 0.023,1374 4.764,1375 1.38,1376 0.407,1377 65.108,1378 0.259,1379 19.527,1380 0.808,1381 104,1382 342.504,1383 130.646,1384 340.939,1385 467.57,1386 320,1387 123,1388 343.368,1389 147.133,1390 351.147,1391 510.44,1392 328,1393 4.689}
{0 CHEMBL1346167,1 2.033,2 12.615,3 2.63,4 6.914,5 98.709,6 10.063,7 0.571,8 3.805,9 3.889,10 3.691,11 3.419,12 5.094,13 3.39,14 4.263,15 4.369,16 4.126,17 3.753,18 5.6,19 3.699,20 4.409,21 4.565,22 3.95,23 3.679,24 5.728,25 3.625,26 4.352,27 4.52,28 3.875,29 3.59,30 5.702,31 3.537,32 4.278,33 4.447,34 3.941,35 3.541,36 5.858,37 3.484,38 4.106,39 4.236,40 3.868,41 3.491,42 5.507,43 3.426,44 4.058,45 4.216,46 3.769,47 3.474,48 5.356,49 3.343,50 3.919,51 4.064,52 3.573,53 3.276,54 5.281,55 3.198,56 0.188,57 0.678,58 4.211,59 3.578,60 15.595,61 3.167,62 0.393,63 1.07,64 15.157,65 6.487,66 28.049,67 5.542,68 0.677,69 1.12,70 17.01,71 7.199,72 72.813,73 6.199,74 0.596,75 1.05,76 18.788,77 7.047,78 71.001,79 6.081,80 0.741,81 0.99,82 19.558,83 6.758,84 90.796,85 6.21,86 0.467,87 0.862,88 15.092,89 5.845,90 47.871,91 4.131,92 0.414,93 0.902,94 16.431,95 6.206,96 44.236,97 5.128,98 0.403,99 0.742,100 15.451,101 5.141,102 45.618,103 3.893,104 10,105 37,106 0.358,107 0.71,108 0.844,109 0.914,110 0.914,111 0.914,112 3.303,113 0.988,114 -3.29,115 -3.28,116 -3.14,119 41,125 2,141 6,142 1,143 1,149 1,150 1,156 2,160 2,164 1,171 5,174 6,177 3,179 2,182 5,186 4,189 2,191 4,194 2,198 1,199 3,204 3,207 1,212 3,213 6,216 1,218 2,221 2,225 1,226 6,229 1,234 3,239 2,242 1,243 1,247 4,250 1,251 3,259 2,263 2,264 3,267 1,269 1,271 2,274 1088,275 17.516,276 17.516,277 17.516,278 17.516,279 17.516,280 15.278,281 18.303,282 10.601,283 18.122,284 13.843,285 13.843,286 13.843,287 13.843,288 13.843,289 10.435,290 22.299,291 5.109,292 14.881,293 3.253,294 1.261,295 0.5,296 0.103,297 0.103,298 0.103,299 3.983,305 1,306 1,307 698,308 3.674,311 172.953,312 100.263,319 2.183,320 37.206,323 1,324 1,325 1,326 0.4,328 0.83,329 1,330 0.75,331 58.5,332 328,333 4.242,334 4.461,335 6.085,336 3.86,337 2.889,338 3.825,339 3.359,340 8.85,341 2.835,342 4.081,343 3.587,344 5.633,345 3.576,346 2.691,347 3.699,348 1.74,349 7.815,350 2.549,351 3.931,352 3.557,353 5.374,354 3.525,355 2.569,356 3.482,357 1.058,358 7.054,359 2.291,360 3.642,361 2.888,362 5.078,363 3.289,364 2.314,365 2.925,366 0.558,367 6.209,368 2.23,369 3.58,370 2.762,371 4.978,372 3.152,373 2.204,374 2.81,376 5.895,377 2.043,378 3.169,379 2.678,380 4.803,381 2.716,382 1.862,383 2.353,385 5.373,386 1.562,387 2.795,388 2.298,389 3.955,390 2.303,391 1.327,392 1.884,394 3.208,395 1.283,396 2.66,397 1.9,398 3.516,399 2.271,400 1.284,401 1.712,403 2.778,404 1.256,405 2.537,406 1.541,407 3.465,408 2.028,409 1.034,410 1.496,412 2.455,413 1.017,414 2.223,415 1.192,416 3.286,417 1.683,418 0.776,419 1.089,421 1.829,422 0.686,423 2.118,424 0.963,425 3.12,426 1.618,427 0.618,428 0.927,430 1.47,431 0.618,432 1.811,433 0.911,434 3,435 1.496,436 0.618,437 0.729,439 1.372,440 0.528,441 1.598,442 0.618,443 2.72,444 1.146,445 0.242,446 0.3,448 0.541,449 0.212,450 0.997,451 0.455,452 2.548,453 0.577,454 -0.351,455 -0.439,457 -0.862,458 -0.316,459 0.943,460 0.201,461 2.055,462 0.492,463 -0.42,464 -0.528,466 -1.022,467 -0.364,468 12.552,469 0.483,470 0.575,471 0.022,472 34.75,473 1.337,474 18,475 0.692,476 16.75,477 0.644,478 18.858,479 0.725,480 27.648,481 0.709,482 24.168,483 0.93,484 6.988,485 0.269,486 5.61,487 0.216,488 0.076,490 0.279,492 1,493 0.694,494 0.946,495 0.676,496 0.809,497 0.542,498 0.778,499 0.704,500 1.155,501 0.867,502 1.149,503 0.606,504 1.029,505 1.235,506 1.05,507 0.987,508 0.977,509 1.241,510 1.044,511 1.148,512 1.114,513 1.104,514 1.093,515 1.216,516 1.044,517 0.734,518 0.831,519 1.021,520 0.986,521 0.843,522 0.825,523 1.184,524 0.992,525 1.351,526 1.179,527 1.122,528 0.943,529 0.759,530 0.953,531 1.463,532 1.285,533 0.793,534 1.083,535 1.062,536 0.979,537 1.592,538 1.322,539 1.073,540 1.008,541 5.5,542 0.07,543 2.222,544 1.292,545 1.192,546 0.542,547 0.416,548 0.241,549 0.16,550 0.144,551 9432,552 35433,553 2.059,554 33.3,556 10,557 1,559 2,564 1.683,565 1.95,566 3.623,567 0.403,568 1,569 1,573 79.27,574 2.033,575 4.025,576 4.785,577 5.183,578 5.183,579 5.183,580 3.094,581 4.547,582 4.672,583 3.838,584 1247.44,585 8.053,586 16944,588 1,590 1,591 206.131,592 1.3,593 4.642,594 0.196,595 0.004,596 0.06,597 0.042,598 0.041,599 0.018,600 0.015,601 0.01,602 0.008,603 0.007,604 0.402,605 0.33,606 1,607 0.54,608 131.733,609 -0.067,610 0.016,611 0.031,612 0.067,613 -0.039,614 0.041,615 0.051,616 -0.186,617 0.102,618 -0.122,619 0.024,620 -0.126,621 -0.181,622 -0.088,623 -0.042,624 -0.025,625 -0.18,626 -0.083,627 -0.164,628 -0.177,629 -0.066,630 -0.096,631 -0.131,632 -0.062,633 0.296,634 0.152,635 0.139,636 0.093,637 0.271,638 0.18,639 -0.2,640 0.026,641 -0.121,642 -0.005,643 -0.131,644 -0.011,645 0.029,646 0.076,647 -0.102,648 -0.021,649 -0.017,650 -0.049,651 -0.098,652 0.07,653 -0.269,654 -0.088,655 -0.105,656 -0.024,657 2.16,658 5.147,659 0.615,660 28,661 1.038,662 1.125,663 2.062,664 4.252,665 0.729,666 3.367,667 3.638,668 3.807,669 3.989,670 4.025,671 3.989,672 4.06,673 4.06,674 4.078,675 4.127,676 7.637,677 0.708,678 392.47,679 3.367,680 4.875,681 5.68,682 6.518,683 7.336,684 8.174,685 8.999,686 9.836,687 10.665,688 11.502,689 10.3,696 2,699 2,707 7,708 2,710 1,711 1,712 5,714 16,720 1,732 1,733 39,735 18,736 1,737 28,739 41,740 16,741 12,742 2,743 4,744 1,747 3,748 3,762 14,763 2,766 2,771 2,775 2,779 1,780 1,781 1,782 13,783 8,784 2,785 10,786 2,791 4,796 1,797 3,815 2,816 1,829 1,845 3,846 1,848 2,852 1,854 26,862 2,864 2,866 1,877 1,878 7.7,881 2,883 1,885 13.333,886 6.96,887 5.778,888 2.051,890 2.531,891 1.368,892 0.978,893 6.498,894 9.416,895 3.664,896 4.205,897 4.668,898 5.149,899 5.339,900 5.389,901 5.652,902 5.741,903 5.954,904 6.243,905 1,906 31,907 9.603,909 4.087,910 8.147,911 17.546,913 13.788,915 2.647,916 68.833,920 129.482,921 162.765,922 69.348,924 59.797,925 14.96,926 63.497,927 99.268,928 189.279,929 84.308,931 39.027,932 68.597,933 93.025,934 22.315,935 32.18,936 181.208,938 129.482,939 168.615,940 74.757,941 63.497,943 144.442,944 59.797,947 39.528,948 95.762,949 33.326,950 63.497,951 144.442,952 129.145,953 162.765,956 129.482,957 94.168,958 68.597,959 36.022,960 108.083,961 129.482,962 144.105,963 162.765,965 0.572,966 0.316,967 0.162,968 0.079,969 16,970 7,971 0.171,972 7,974 1,975 4.028,976 196.841,978 16,979 120.211,981 2,985 18.705,986 9.033,987 5.721,989 144.105,990 10.397,991 7.751,993 5.125,994 1.134,995 1.172,997 36.022,998 436.352,999 38,1004 23.811,1008 -0.652,1011 40.473,1012 43.877,1013 0.385,1014 0.762,1015 0.905,1016 0.981,1017 0.981,1018 0.981,1019 4.86,1020 1.284,1021 5.631,1022 3.208,1023 4.317,1024 4.89,1025 3.442,1026 6.333,1027 4.192,1028 6.04,1029 1.034,1030 7.122,1031 2.778,1032 3.761,1033 4.527,1034 1.593,1035 6.969,1036 3.589,1037 7.313,1038 0.776,1039 8.703,1040 2.455,1041 5.814,1042 6.978,1043 5.582,1044 9.991,1045 5.584,1046 8.618,1047 0.618,1048 10.335,1049 1.829,1050 6.066,1051 7.441,1052 3.522,1053 11.433,1054 5.803,1055 9.95,1056 0.618,1057 12,1058 1.47,1059 7.546,1060 9.304,1061 7.947,1062 13.927,1063 7.237,1064 11.3,1065 0.242,1066 13.687,1067 1.372,1068 8.173,1069 10.157,1070 5.911,1071 15.725,1072 7.841,1073 12.664,1074 -0.351,1075 15.39,1076 0.541,1077 9.408,1078 11.759,1079 10.351,1080 18.021,1081 9.039,1082 2.889,1083 -0.42,1084 17.106,1085 -0.862,1086 10.225,1087 12.817,1088 8.482,1089 19.995,1090 9.839,1091 2.691,1092 8.85,1093 18.832,1094 -1.022,1095 11.348,1096 14.289,1097 12.763,1098 22.21,1099 10.934,1100 2.569,1101 7.815,1102 20.567,1103 3.825,1104 12.265,1105 15.459,1106 11.075,1107 24.274,1108 11.837,1109 2.314,1110 7.054,1111 22.308,1112 3.699,1113 13.337,1114 16.864,1115 15.176,1116 26.457,1117 12.886,1118 2.204,1119 6.209,1120 24.056,1121 3.482,1122 14.308,1123 18.096,1124 13.65,1125 28.569,1126 13.845,1127 1.862,1128 5.895,1129 25.809,1130 2.925,1131 15.357,1132 19.465,1133 17.59,1134 30.74,1135 14.877,1136 1.327,1137 5.373,1138 27.567,1139 2.81,1140 16.358,1141 20.734,1142 16.206,1143 32.878,1144 15.866,1145 9060,1146 17749,1147 18.781,1148 28.426,1149 41.489,1150 44.625,1151 41.313,1152 40.906,1153 40.857,1154 54.461,1155 13.431,1156 109.7,1157 38.217,1158 5.162,1159 6.461,1160 5.716,1161 5.053,1162 4.889,1163 6.825,1164 6.685,1165 15.137,1166 4.835,1167 11.484,1168 1.482,1169 1.594,1170 1.475,1171 1.461,1172 1.459,1173 1.945,1174 0.48,1175 3.918,1176 1.365,1177 3.949,1178 3.972,1179 4.301,1180 3.868,1181 8.201,1182 3.861,1183 3.904,1184 3.92,1185 3.876,1186 3.767,1187 7.431,1188 3.766,1189 3.758,1190 3.782,1191 3.851,1192 3.73,1193 7.427,1194 3.651,1195 3.547,1196 3.584,1197 3.651,1198 3.359,1199 5.075,1200 3.354,1201 3.267,1202 3.292,1203 3.284,1204 3.056,1205 5,1206 3.081,1207 3.049,1208 3.124,1209 3.135,1210 2.898,1211 4.606,1212 2.861,1213 2.896,1214 2.955,1215 2.803,1216 2.733,1217 4.035,1218 2.734,1219 2.672,1220 2.739,1221 2.713,1222 2.509,1223 3.858,1224 2.494,1225 0.152,1226 0.159,1227 0.217,1228 0.138,1229 0.103,1230 4.242,1231 0.137,1232 4.461,1233 0.12,1234 6.085,1235 0.316,1236 3.86,1237 0.101,1238 2.889,1239 3.825,1240 3.359,1241 8.85,1242 2.835,1243 1.893,1244 1.872,1245 1.988,1246 1.994,1247 1.061,1248 1.991,1249 1.626,1250 1.59,1251 1.781,1252 1.844,1253 0.965,1254 1.827,1255 1.46,1256 1.443,1257 1.609,1258 1.604,1259 0.815,1260 1.607,1261 1.367,1262 1.349,1263 1.471,1264 1.587,1265 0.586,1266 1.564,1267 1.313,1268 1.286,1269 1.388,1270 1.555,1271 0.469,1272 1.543,1273 1.055,1274 1.054,1275 1.113,1276 1.288,1277 0.229,1278 1.243,1279 0.941,1280 0.896,1281 1.076,1282 1.112,1283 0.125,1284 1.121,1285 0.857,1286 0.803,1287 1.025,1288 1.068,1289 0.063,1290 1.075,1291 4.043,1293 5.323,1294 3.045,1295 6.758,1296 5.209,1297 8.263,1298 7.111,1299 9.807,1303 13.147,1307 0.477,1309 5.269,1311 1.203,1318 27.622,1319 79.27,1320 156.969,1321 186.621,1322 202.131,1323 202.131,1324 202.131,1325 57.383,1326 6.886,1327 97.12,1328 150.66,1329 16,1330 12.071,1331 4.248,1332 3.459,1333 44.746,1334 120,1335 102,1336 0.178,1337 178.347,1338 305.28,1339 426.927,1340 9606,1341 2.6,1342 18.355,1343 0.706,1344 0.573,1345 18.192,1346 14.902,1347 12.597,1348 0.45,1349 0.329,1350 7.433,1351 11.146,1352 7.162,1353 5.913,1354 13.066,1355 9.225,1356 11.2,1357 0.303,1358 0.194,1359 11.911,1360 7.182,1361 8.747,1362 0.199,1363 0.115,1364 9.954,1365 5.052,1366 6.855,1367 0.129,1368 0.066,1369 8.087,1370 3.472,1371 4.771,1372 0.087,1373 0.04,1374 5.904,1375 2.205,1376 0.292,1377 88.907,1378 0.231,1379 26.058,1380 0.454,1381 130,1382 544.995,1383 204.784,1384 531.856,1385 696.71,1386 494,1387 146,1388 461.175,1389 203.464,1390 482.738,1391 697.95,1392 451,1393 4.224}
{0 CHEMBL1346378,1 1.929,2 10.577,3 4.332,4 18.765,5 101.631,6 9.721,7 0.607,8 3.776,9 3.872,10 3.562,11 3.363,12 5.141,13 3.361,14 4.189,15 4.3,16 3.915,17 3.675,18 5.662,19 3.683,20 4.398,21 4.569,22 3.992,23 3.746,24 5.759,25 3.739,26 4.423,27 4.6,28 3.914,29 3.666,30 5.883,31 3.673,32 4.378,33 4.555,34 3.852,35 3.616,36 5.866,37 3.598,38 4.218,39 4.402,40 3.702,41 3.515,42 5.599,43 3.442,44 4.082,45 4.279,46 3.443,47 3.368,48 5.42,49 3.282,50 3.93,51 4.113,52 3.465,53 3.332,54 5.176,55 3.273,56 0.204,57 0.673,58 4.99,59 3.17,60 11.75,61 3.144,62 0.322,63 1.009,64 7.021,65 4.476,66 44.861,67 4.579,68 0.428,69 1.224,70 13.352,71 6.042,72 46.624,73 6.379,74 0.608,75 1.228,76 13.627,77 5.842,78 61.368,79 5.511,80 0.652,81 1.154,82 15.217,83 5.844,84 80.065,85 4.914,86 0.444,87 0.977,88 15.633,89 5.864,90 57.018,91 5.104,92 0.459,93 0.83,94 14.894,95 5.277,96 58.408,97 5.019,98 0.311,99 0.725,100 10.272,101 4.32,102 28.484,103 4.664,104 18,105 38,106 0.338,107 0.596,108 0.743,109 0.854,110 0.9,111 0.909,112 3.304,113 0.842,114 -6.37,115 -6.2,116 -5.76,119 44.7,134 2,141 8,142 2,143 2,152 1,159 1,160 1,164 4,171 10,173 3,174 5,182 10,185 2,186 13,194 7,199 16,207 3,213 14,221 2,225 1,226 7,234 2,238 3,239 5,247 4,250 2,251 3,259 5,263 2,264 5,271 6,274 990,275 17.518,276 17.518,277 17.518,278 17.518,279 17.518,280 14.735,281 9.853,282 10.493,283 17.862,284 13.794,285 13.794,286 13.794,287 13.794,288 13.794,289 9.765,290 6.758,291 4.907,292 14.387,293 3.319,294 1.844,295 1,296 0.368,297 0.105,298 0.053,299 3.984,305 1,306 1,307 582,308 3.24,311 76.002,312 176.699,319 1.533,320 35.397,322 1,323 0.75,324 0.83,325 0.83,326 0.3,328 0.83,329 1,330 0.65,331 58,332 275,333 4.541,334 3.861,335 6.77,336 4.116,337 3.175,338 4.262,339 2.612,340 11.059,341 2.992,342 4.395,343 3.799,344 6.403,345 3.938,346 2.958,347 4.112,349 9.738,350 2.898,351 4.023,352 3.18,353 5.98,354 3.557,355 2.626,356 3.614,358 8.268,359 2.431,360 3.61,361 2.617,362 4.913,363 3,364 2.017,365 3.03,367 5.33,368 1.98,369 3.238,370 2.528,371 4.884,372 2.692,373 1.767,374 2.439,376 5.027,377 1.648,378 3.13,379 2.035,380 4.185,381 2.638,382 1.672,383 2.351,385 3.808,386 1.597,387 2.935,388 1.634,389 3.856,390 2.437,391 1.46,392 2.068,394 3.258,395 1.418,396 2.86,397 1.527,398 3.771,399 2.381,400 1.414,401 2.013,403 3.07,404 1.351,405 2.622,406 1.33,407 3.58,408 2.073,409 1.1,410 1.603,412 2.672,413 1.067,414 2.56,415 1.283,416 3.492,417 2.007,418 1.051,419 1.541,421 2.51,422 1,423 2.525,424 1.087,425 3.465,426 2,427 1,428 1.526,430 2.304,431 0.996,432 2.147,433 1,434 2.937,435 1.386,436 0.425,437 0.685,439 0.964,440 0.407,441 1.194,442 0.671,443 2.544,444 0.884,445 -0.054,446 -0.064,448 -0.121,449 -0.049,450 1.01,451 0.518,452 2.204,453 0.6,454 -0.337,455 -0.423,457 -0.774,458 -0.308,459 1,460 0.21,461 2,462 0.338,463 -0.587,464 -0.8,466 -1.342,467 -0.525,468 12.286,469 0.473,470 0.597,471 0.023,472 39.25,473 1.51,474 23,475 0.885,476 16.25,477 0.625,478 15.813,479 0.608,480 26.714,481 0.703,482 29.438,483 1.132,484 8.144,485 0.313,486 4.431,487 0.17,488 0.145,490 0.309,492 1,493 0.4,494 0.889,495 0.732,496 0.898,497 0.52,498 0.835,499 0.56,500 1.165,501 0.631,502 1.046,503 0.506,504 1.011,505 0.851,506 1.16,507 0.729,508 0.979,509 0.732,510 0.934,511 1.198,512 1.045,513 0.861,514 0.86,515 1.117,516 0.948,517 1.343,518 0.93,519 1.148,520 0.867,521 1.301,522 0.94,523 1.038,524 0.998,525 1.349,526 1.165,527 0.925,528 1.109,529 1.012,530 0.879,531 1.484,532 1.088,533 0.984,534 1.081,535 0.644,536 0.909,537 0.935,538 0.896,539 0.63,540 0.891,541 4,542 0.165,543 3.333,544 2.194,545 1.294,546 0.799,547 0.278,548 0.23,549 0.21,550 0.239,551 8137,552 31192,553 2.037,554 31.6,556 10,558 1,559 1,564 1.689,565 1.902,566 3.354,567 -0.218,569 1,573 73.305,574 1.929,575 3.404,576 4.248,577 4.88,578 5.143,579 5.195,580 2.705,581 4.393,582 4.678,583 3.562,584 1157.68,585 8.091,586 15048.5,588 1,590 1,591 199.421,592 1.42,593 4.628,594 0.143,595 0.007,596 0.088,597 0.056,598 0.036,599 0.025,600 0.011,601 0.011,602 0.009,603 0.009,604 0.395,605 0.17,606 0.88,607 0.777,608 128.638,609 0.195,610 0.077,611 -0.059,612 -0.025,613 -0.027,614 -0.035,615 0.131,616 -0.215,617 0.022,618 -0.215,619 0.124,620 -0.183,621 -0.025,622 -0.17,623 0.135,624 -0.071,625 0.013,626 0.019,627 -0.125,628 -0.011,629 -0.025,630 -0.003,631 -0.073,632 -0.035,633 -0.222,634 0.076,635 -0.142,636 0.094,637 -0.166,638 -0.012,639 -0.181,640 -0.078,641 -0.133,642 -0.052,643 -0.098,644 -0.09,645 -0.084,646 0.124,647 -0.253,648 0.039,649 -0.105,650 -0.028,651 0.089,652 0.03,653 0.085,654 0.124,655 0.014,656 0.145,657 2.46,658 5.959,659 0.654,660 21.462,661 1.034,662 1.127,663 5.139,664 26.404,665 0.725,666 3.367,667 3.664,668 3.932,669 4.159,670 4.263,671 4.19,672 4.19,673 4.19,674 4.263,675 4.317,676 6.611,677 0.716,678 369.41,679 3.367,680 4.89,681 5.733,682 6.6,683 7.461,684 8.333,685 9.199,686 10.073,687 10.942,688 11.817,689 13.2,697 1,698 1,699 2,700 1,707 8,708 2,712 6,713 1,714 17,726 1,732 1,733 38,735 21,736 2,737 28,739 40,740 17,741 14,742 4,743 8,744 3,747 3,748 3,762 17,766 4,768 1,771 2,773 3,774 1,779 1,780 1,782 12,783 6,785 9,786 1,791 5,796 1,797 2,815 1,816 2,835 2,845 3,848 1,852 1,854 26,863 1,875 1,877 1,878 5.3,884 2,885 13.667,886 6.843,887 5.833,888 2.042,890 4.716,891 1.669,892 0.973,893 5.445,894 11.77,895 3.726,896 4.334,897 4.919,898 5.495,899 5.939,900 6.136,901 6.485,902 6.78,903 7.188,904 7.54,905 0.857,906 39,907 9.533,909 4.063,910 8.201,911 17.239,913 13.466,915 2.701,916 70.222,920 140.301,921 163.643,922 57.436,924 50.747,925 14.96,926 38.564,927 125.08,928 191.047,929 72.396,930 5.67,932 94.762,933 67.291,934 37.382,935 14.96,936 156.275,937 50.747,938 140.301,939 182.515,940 65.707,941 38.564,943 155.261,945 50.747,947 21.461,948 94.059,949 66.996,950 38.564,951 155.261,952 108.183,953 163.643,956 140.301,957 21.27,958 111.257,960 154.26,961 140.301,962 123.143,963 163.643,965 0.575,966 0.343,967 0.189,968 0.095,969 17,970 8,971 0.125,972 5,974 1,975 3.805,976 208.653,978 17,979 120.211,980 1,985 17.836,986 7.937,987 4.003,989 115.696,990 12.44,991 7.682,995 0.582,996 1.269,998 427.087,999 40.5,1001 -0.46,1004 21.982,1006 4.47,1007 4.14,1011 39.287,1012 42.831,1013 0.368,1014 0.649,1015 0.809,1016 0.93,1017 0.98,1018 0.99,1019 4.929,1020 1.414,1021 5.707,1022 3.258,1023 4.344,1024 5.021,1025 2.501,1026 6.515,1027 4.26,1028 6.151,1029 1.1,1030 7.268,1031 3.07,1032 3.892,1033 4.783,1034 2.361,1035 7.469,1036 3.717,1037 7.459,1038 1.051,1039 8.938,1040 2.672,1041 5.922,1042 7.242,1043 4.154,1044 10.586,1045 5.75,1046 8.808,1047 1,1048 10.676,1049 2.51,1050 6.347,1051 7.878,1052 4.506,1053 12.414,1054 6.083,1055 10.191,1056 0.425,1057 12.457,1058 2.304,1059 7.827,1060 9.758,1061 5.948,1062 15.036,1063 7.561,1064 11.6,1065 -0.054,1066 14.267,1067 0.964,1068 8.648,1069 10.802,1070 6.556,1071 17.189,1072 8.299,1073 13.027,1074 -0.337,1075 16.098,1076 -0.121,1077 9.911,1078 12.437,1079 7.794,1080 19.651,1081 9.546,1082 3.175,1083 -0.587,1084 17.943,1085 -0.774,1086 10.906,1087 13.677,1088 8.548,1089 21.932,1090 10.471,1091 2.958,1092 11.059,1093 19.798,1094 -1.342,1095 12.084,1096 15.201,1097 9.67,1098 24.34,1099 11.62,1100 2.626,1101 9.738,1102 21.661,1103 4.262,1104 13.156,1105 16.537,1106 10.509,1107 26.677,1108 12.629,1109 2.017,1110 8.268,1111 23.53,1112 4.112,1113 14.302,1114 18.011,1115 11.563,1116 29.068,1117 13.738,1118 1.767,1119 5.33,1120 25.403,1121 3.614,1122 15.407,1123 19.394,1124 12.452,1125 31.431,1126 14.785,1127 1.672,1128 5.027,1129 27.28,1130 3.03,1131 16.544,1132 20.846,1133 13.468,1134 33.819,1135 15.877,1136 1.46,1137 3.808,1138 29.161,1139 2.439,1140 17.665,1141 22.253,1142 14.386,1143 36.196,1144 16.943,1145 7944,1146 15715,1147 18.493,1148 27.568,1149 42.453,1150 44.381,1151 43.331,1152 41.478,1153 41.33,1154 58.488,1155 5.225,1156 116.016,1157 39.567,1158 5.211,1159 5.861,1160 6.471,1161 5.142,1162 5.175,1163 7.262,1164 4.612,1165 18.352,1166 4.992,1167 13.196,1168 1.516,1169 1.585,1170 1.548,1171 1.481,1172 1.476,1173 2.089,1174 0.187,1175 4.143,1176 1.413,1177 4.032,1178 4.071,1179 4.059,1180 3.913,1181 8.201,1182 3.921,1183 3.974,1184 4.005,1185 3.958,1186 3.865,1187 7.815,1188 3.872,1189 3.732,1190 3.785,1191 3.77,1192 3.552,1193 6.999,1194 3.567,1195 3.509,1196 3.541,1197 3.487,1198 3.339,1199 5.142,1200 3.332,1201 3.424,1202 3.468,1203 3.375,1204 3.033,1205 4.751,1206 3.133,1207 2.914,1208 2.983,1209 3.174,1210 2.815,1211 4.614,1212 2.764,1213 2.9,1214 2.959,1215 2.835,1216 2.752,1217 4.548,1218 2.738,1219 2.833,1220 2.879,1221 2.804,1222 2.733,1223 4.025,1224 2.727,1225 0.162,1226 0.138,1227 0.242,1228 0.147,1229 0.113,1230 4.541,1231 0.152,1232 3.861,1233 0.093,1234 6.77,1235 0.395,1236 4.116,1237 0.107,1238 3.175,1239 4.262,1240 2.612,1241 11.059,1242 2.992,1243 1.944,1244 1.92,1245 2.038,1246 2.092,1247 1.124,1248 2.06,1249 1.896,1250 1.871,1251 1.989,1252 1.998,1253 1.077,1254 1.993,1255 1.552,1256 1.5,1257 1.69,1258 1.774,1259 0.684,1260 1.742,1261 1.292,1262 1.25,1263 1.36,1264 1.651,1265 0.477,1266 1.552,1267 1.194,1268 1.164,1269 1.279,1270 1.451,1271 0.213,1272 1.457,1273 1.101,1274 1.048,1275 1.155,1276 1.374,1277 0.185,1278 1.32,1279 0.864,1280 0.806,1281 1.097,1282 1.068,1283 0.137,1284 1.081,1285 0.855,1286 0.8,1287 1.048,1288 1.032,1289 0.058,1290 1.062,1291 4.043,1293 5.342,1294 2.398,1295 6.838,1296 4.727,1297 8.427,1298 6.804,1299 10.064,1303 13.959,1308 4.158,1318 27.214,1319 73.305,1320 129.367,1321 161.421,1322 185.421,1323 195.421,1324 197.421,1325 55.27,1326 7.054,1327 88.89,1328 127.69,1329 17,1330 12.358,1331 4.459,1332 3.755,1333 44.483,1334 105,1335 78,1336 0.206,1337 173.752,1338 301,1339 415.714,1340 11508,1341 2.6,1342 18.518,1343 0.712,1344 0.543,1345 18.148,1346 14.123,1347 12.575,1348 0.449,1349 0.281,1350 7.319,1351 11.698,1352 7.187,1353 5.98,1354 12.453,1355 7.861,1356 11.045,1357 0.291,1358 0.144,1359 10.888,1360 5.455,1361 9.151,1362 0.183,1363 0.074,1364 9.036,1365 3.695,1366 7.576,1367 0.12,1368 0.039,1369 7.501,1370 2.426,1371 5.681,1372 0.081,1373 0.021,1374 5.705,1375 1.495,1376 0.329,1377 83.004,1378 0.233,1379 25.313,1380 0.552,1381 132,1382 533.905,1383 163.952,1384 507.289,1385 669.24,1386 466,1387 154,1388 486.155,1389 183.52,1390 484.003,1391 698.52,1392 453,1393 4.224}
{0 CHEMBL1346587,1 2.133,2 10.833,3 3.951,4 15.609,5 95.788,6 10.7,7 0.531,8 3.916,9 3.982,10 3.872,11 3.406,12 5.322,13 3.458,14 4.424,15 4.522,16 4.247,17 3.744,18 6.021,19 3.827,20 4.616,21 4.699,22 4.553,23 3.861,24 6.573,25 3.968,26 4.74,27 4.841,28 4.537,29 3.849,30 6.856,31 3.96,32 4.723,33 4.87,34 4.3,35 3.786,36 6.645,37 3.845,38 4.576,39 4.736,40 4.156,41 3.723,42 6.35,43 3.756,44 4.575,45 4.773,46 3.988,47 3.591,48 6.164,49 3.635,50 4.375,51 4.536,52 3.86,53 3.418,54 6.029,55 3.488,56 0.499,57 0.999,58 4.494,59 4.259,60 80.563,61 2.943,62 1.156,63 1.576,64 10.627,65 6.613,66 161.46,67 4.982,68 1.663,69 2.429,70 11.758,71 8.175,72 284.065,73 4.858,74 2.071,75 2.243,76 18.39,77 8.952,78 382.038,79 6.187,80 2.065,81 1.734,82 18.938,83 8.034,84 337.232,85 6.858,86 1.383,87 1.521,88 16.157,89 7.653,90 212.264,91 7.653,92 1.609,93 1.404,94 22.364,95 7.659,96 250.982,97 7.479,98 1.371,99 1.246,100 13.474,101 6.052,102 190.969,103 4.771,104 105,105 49,106 0.37,107 0.668,108 0.721,109 0.793,110 0.813,111 0.821,112 3.441,113 0.875,114 -3.52,115 -3.49,116 -3.33,119 40.5,124 2,141 4,142 1,143 8,145 1,151 1,161 1,162 1,163 1,164 1,171 3,173 3,174 5,176 1,177 1,179 1,182 3,184 1,185 3,186 7,188 1,189 1,194 3,199 7,201 2,202 2,204 1,207 1,210 1,212 1,213 4,218 2,223 2,225 2,226 5,231 1,236 1,238 1,239 2,241 1,242 1,250 2,253 1,254 1,263 2,274 1396,275 19.272,276 19.272,277 19.272,278 19.272,279 19.272,280 16.735,281 15.39,282 10.515,283 20.034,284 15.484,285 15.484,286 15.484,287 15.484,288 15.484,289 11.548,290 14.14,291 4.683,292 16.725,293 3.259,294 1.541,295 1.235,296 0.816,297 0.703,298 0.655,299 4.106,305 1,306 1,307 673,308 3.742,311 87.251,312 212.924,319 1.656,320 89.731,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 73,332 325,333 5.069,334 4.784,335 7.844,336 4.564,337 3.641,338 4.982,339 0.86,340 14.512,341 3.341,342 4.499,343 3.587,344 6.762,345 4.057,346 3.113,347 4.239,348 0.86,349 10.659,350 2.935,351 4.335,352 3.215,353 6.313,354 3.906,355 2.952,356 4.007,358 9.578,359 2.794,360 4.056,361 3.006,362 6.105,363 3.61,364 2.672,365 3.632,367 8.713,368 2.492,369 3.637,370 2.956,371 5.884,372 3.201,373 2.303,374 3,376 7.645,377 2.103,378 3.603,379 2.607,380 5.791,381 3.2,382 2.264,383 2.955,385 7.292,386 2.033,387 3.35,388 2.343,389 5.277,390 2.845,391 1.908,392 2.645,394 5.928,395 1.768,396 2.919,397 2.174,398 4.424,399 2.521,400 1.611,401 2.058,403 4.187,404 1.461,405 2.707,406 1.86,407 4.259,408 2.234,409 1.285,410 1.789,412 3.578,413 1.214,414 2.409,415 1.647,416 4.168,417 1.906,418 0.938,419 1.34,421 2.821,422 0.901,423 1.869,424 1.402,425 3.618,426 1.544,427 0.648,428 0.77,430 1.464,431 0.575,432 1.781,433 1.314,434 3.597,435 1.409,436 0.618,437 0.686,439 1.178,440 0.475,441 1.609,442 0.981,443 3.039,444 1.196,445 0.379,446 0.436,448 0.943,449 0.299,450 1.452,451 0.93,452 2.854,453 1.183,454 0.334,455 0.364,457 0.444,458 0.281,459 1,460 0.642,461 2.658,462 0.521,463 -0.23,464 -0.25,466 -0.545,467 -0.171,468 13.295,469 0.443,470 1.134,471 0.038,472 40,473 1.333,474 20.5,475 0.683,476 19.5,477 0.65,478 23.864,479 0.795,480 34.705,481 0.826,482 39.565,483 1.319,484 8.501,485 0.283,486 5.537,487 0.185,488 0.263,489 0.063,490 0.444,492 5,493 0.646,494 0.939,495 0.69,496 1.231,497 0.647,498 0.88,499 0.851,500 0.952,501 0.638,502 0.841,503 0.71,504 0.635,505 0.812,506 1.068,507 0.742,508 1.163,509 0.821,510 0.862,511 0.677,512 0.922,513 0.921,514 1.254,515 0.655,516 1.077,517 0.666,518 0.632,519 0.792,520 0.788,521 0.629,522 0.979,523 0.552,524 0.829,525 0.841,526 1.089,527 0.543,528 1.147,529 0.926,530 0.82,531 0.928,532 0.86,533 0.959,534 0.927,535 1.093,536 0.98,537 1.011,538 0.9,539 1.055,540 1.037,541 8,542 0.231,543 5.778,544 3.91,545 3.06,546 1.542,547 0.904,548 0.706,549 0.465,550 0.282,551 9845,552 47792,553 1.911,554 28.6,556 10,559 2,564 1.732,565 1.69,566 3.373,567 0.408,569 1,573 89.606,574 2.133,575 3.851,576 4.157,577 4.576,578 4.69,579 4.737,580 2.857,581 4.574,582 4.879,583 3.531,584 1535.96,585 8.528,586 20408.1,588 1,591 226.477,592 1.711,593 4.765,594 0.25,595 0.01,596 0.118,597 0.067,598 0.054,599 0.034,600 0.022,601 0.02,602 0.016,603 0.01,604 0.6,605 0.33,606 1,607 0.952,608 151.583,609 -0.04,610 -0.046,611 0.121,612 -0.096,613 -0.093,614 0.018,615 -0.089,616 -0.117,617 0.184,618 0.148,619 -0.014,620 0.285,621 0.118,622 0.019,623 0.178,624 -0.063,625 0.128,626 -0.033,627 0.279,628 0.073,629 0.05,630 -0.208,631 0.35,632 -0.201,633 0.205,634 0.141,635 0.118,636 0.083,637 0.234,638 -0.002,639 0.207,640 -0.023,641 0.115,642 -0.144,643 0.201,644 -0.103,645 -0.049,646 -0.013,647 0.138,648 0.056,649 -0.076,650 0.196,651 -0.142,652 -0.071,653 -0.073,654 0.001,655 -0.128,656 -0.035,657 6.297,658 6.015,659 0.567,660 26.138,661 1.082,662 1.163,663 2.287,664 5.232,665 0.679,666 3.497,667 3.912,668 4.248,669 4.5,670 4.663,671 4.771,672 4.804,673 4.868,674 4.984,675 5.004,676 6.323,677 0.707,678 449.39,679 3.497,680 5.094,681 5.989,682 6.915,683 7.826,684 8.756,685 9.673,686 10.605,687 11.525,688 12.459,689 7.1,693 1,697 1,699 1,707 4,708 1,712 11,713 1,714 17,724 1,730 2,732 5,733 42,735 19,736 2,737 32,739 44,740 17,741 15,742 9,743 3,747 3,748 3,762 15,763 2,766 2,769 1,771 2,779 1,780 5,782 12,783 11,784 2,785 13,786 1,791 3,796 1,797 4,807 1,815 1,816 2,845 3,848 1,850 2,852 5,854 30,855 1,858 1,865 2,877 5,878 9.5,881 2,883 2,885 17.75,886 8.364,887 6.583,888 2.06,890 3.133,891 1.421,892 0.989,893 5.783,894 10.571,895 3.773,896 4.503,897 5.132,898 5.716,899 6.189,900 6.545,901 6.839,902 7.154,903 7.549,904 7.852,905 1,906 58,907 14.018,909 9.338,910 8.875,911 19.185,913 15.667,915 3.375,916 101.25,919 1,920 117.711,921 131.391,922 49.731,924 66.313,925 74.801,926 5.807,927 125.584,928 184.024,929 124.532,930 21.766,932 76.61,933 60.976,934 88.084,935 74.801,936 117.711,938 117.711,939 175.315,940 141.113,941 5.807,943 192.512,944 66.313,947 5.255,948 153.397,949 22.47,951 192.512,952 116.044,953 131.391,955 5.807,956 117.711,957 65.913,958 59.842,960 190.673,961 117.711,962 190.844,963 131.391,965 0.607,966 0.39,967 0.202,968 0.099,969 24,970 14,971 0.114,972 5,974 1,975 3.73,976 279.307,978 17,979 137.207,984 1,985 22.033,986 7.875,987 3.551,989 190.673,990 5.376,991 3.658,995 -14.32,996 -0.03,997 32.897,998 439.947,999 42.5,1002 -5.38,1004 25.24,1011 45.44,1012 48.857,1013 0.396,1014 0.714,1015 0.771,1016 0.849,1017 0.87,1018 0.879,1019 5.064,1020 1.611,1021 6.066,1022 5.928,1023 4.595,1024 5.19,1025 1.376,1026 7.022,1027 4.445,1028 6.367,1029 1.285,1030 7.741,1031 4.187,1032 4.575,1033 5.46,1035 8.354,1036 4.332,1037 7.767,1038 0.938,1039 9.524,1040 3.578,1041 6.382,1042 7.613,1043 1.159,1044 11.494,1045 6.097,1046 9.209,1047 0.648,1048 11.368,1049 2.821,1050 7.132,1051 8.647,1053 13.634,1054 6.737,1055 10.682,1056 0.618,1057 13.254,1058 1.464,1059 8.517,1060 10.38,1061 0.963,1062 16.412,1063 8.082,1064 12.179,1065 0.379,1066 15.169,1067 1.178,1068 9.569,1069 11.722,1071 18.875,1072 9.025,1073 13.695,1074 0.334,1075 17.107,1076 0.943,1077 10.842,1078 13.332,1079 0.787,1080 21.565,1081 10.24,1082 3.641,1083 -0.23,1084 19.065,1085 0.444,1086 12.014,1087 14.806,1089 24.156,1090 11.311,1091 3.113,1092 14.512,1093 21.039,1094 -0.545,1095 13.265,1096 16.384,1097 0.634,1098 26.827,1099 12.489,1100 2.952,1101 10.659,1102 23.026,1103 4.982,1104 14.49,1105 17.917,1107 29.468,1108 13.618,1109 2.672,1110 9.578,1111 25.026,1112 4.239,1113 15.745,1114 19.493,1115 0.504,1116 32.137,1117 14.79,1118 2.303,1119 8.713,1120 27.035,1121 4.007,1122 16.995,1123 21.055,1125 34.797,1126 15.947,1127 2.264,1128 7.645,1129 29.052,1130 3.632,1131 18.258,1132 22.635,1133 0.395,1134 37.468,1135 17.122,1136 1.908,1137 7.292,1138 31.077,1139 3,1140 19.523,1141 24.213,1143 40.137,1144 18.294,1145 9929,1146 22219,1147 19.422,1148 28.5,1149 49.406,1150 53.446,1151 54.584,1152 49.29,1153 49.33,1154 65.803,1155 3.44,1156 157.885,1157 45.34,1158 5.859,1159 6.784,1160 7.398,1161 5.647,1162 5.641,1163 7.982,1164 1.72,1165 23.214,1166 5.341,1167 22.024,1168 1.544,1169 1.67,1170 1.706,1171 1.54,1172 1.542,1173 2.056,1174 0.108,1175 4.934,1176 1.417,1177 4.172,1178 4.167,1179 4.775,1180 4.107,1181 8.281,1182 4.045,1183 3.945,1184 3.955,1185 3.932,1186 3.867,1187 8.225,1188 3.868,1189 3.793,1190 3.816,1191 3.851,1192 3.635,1193 8.194,1194 3.649,1195 3.473,1196 3.441,1197 3.603,1198 3.356,1199 8.156,1200 3.312,1201 3.247,1202 3.314,1203 3.065,1204 2.968,1205 8.141,1206 2.977,1207 3.223,1208 3.29,1209 3.049,1210 2.945,1211 7.715,1212 2.954,1213 3.002,1214 3.034,1215 3.047,1216 2.724,1217 6.999,1218 2.787,1219 2.869,1220 2.987,1221 2.823,1222 2.673,1223 5.155,1224 2.66,1225 0.158,1226 0.149,1227 0.245,1228 0.143,1229 0.114,1230 5.069,1231 0.156,1232 4.784,1233 0.027,1234 7.844,1235 0.454,1236 4.564,1237 0.104,1238 3.641,1239 4.982,1240 0.86,1241 14.512,1242 3.341,1243 1.933,1244 1.957,1245 1.98,1246 2.045,1247 1.128,1248 2.047,1249 1.897,1250 1.883,1251 1.815,1252 1.994,1253 1.101,1254 1.988,1255 1.549,1256 1.543,1257 1.613,1258 1.774,1259 0.676,1260 1.739,1261 1.378,1262 1.36,1263 1.576,1264 1.591,1265 0.583,1266 1.586,1267 1.192,1268 1.116,1269 1.543,1270 1.523,1271 0.574,1272 1.539,1273 1.162,1274 1.098,1275 1.265,1276 1.428,1277 0.46,1278 1.45,1279 0.948,1280 0.891,1281 1.081,1282 1.219,1283 0.162,1284 1.211,1285 0.793,1286 0.751,1287 0.96,1288 1.086,1289 0.028,1290 1.02,1291 4.174,1293 5.565,1294 2.398,1295 7.157,1296 4.727,1297 8.842,1298 6.843,1299 10.576,1301 2.739,1303 68.189,1305 5.594,1310 10.184,1318 29.715,1319 89.606,1320 161.748,1321 174.603,1322 192.213,1323 196.968,1324 198.968,1325 109.536,1326 7.438,1327 96.44,1328 104.82,1329 17,1330 12.961,1331 4.322,1332 3.524,1333 55.189,1334 113,1335 125,1336 0.244,1337 181.731,1338 328.78,1339 435.183,1340 15308,1341 11.9,1342 22.378,1343 0.746,1344 0.534,1345 18.277,1346 16.029,1347 14.038,1348 0.439,1349 0.292,1350 7.736,1351 12.21,1352 7.503,1353 6.175,1354 12.757,1355 9.331,1356 13.368,1357 0.273,1358 0.153,1359 12.182,1360 7.475,1361 12.079,1362 0.175,1363 0.082,1364 10.776,1365 5.661,1366 9.719,1367 0.109,1368 0.044,1369 8.95,1370 3.937,1371 6.807,1372 0.065,1373 0.024,1374 6.713,1375 2.498,1376 0.375,1377 100.889,1378 0.227,1379 27.722,1380 0.694,1381 162,1382 926.961,1383 237.546,1384 763.744,1385 975.67,1386 698,1387 199,1388 649.69,1389 292.803,1390 659.523,1391 980.6,1392 612,1393 4.465}
{0 CHEMBL1348057,1 1.723,2 12.212,3 4.615,4 21.299,5 127.963,6 9.211,7 0.639,8 4.059,9 4.132,10 3.926,11 3.737,12 5.239,13 3.696,14 4.543,15 4.643,16 4.246,17 4.097,18 5.914,19 4.048,20 4.781,21 4.92,22 4.319,23 4.189,24 6.028,25 4.113,26 4.848,27 4.998,28 4.276,29 4.107,30 6.322,31 4.056,32 4.765,33 4.897,34 4.259,35 4.087,36 6.194,37 4.048,38 4.802,39 4.943,40 4.263,41 4.095,42 6.204,43 4.065,44 4.747,45 4.887,46 4.23,47 4.129,48 6.022,49 4.062,50 4.805,51 4.966,52 4.202,53 4.153,54 6.113,55 4.08,56 0.108,57 0.668,58 8.756,59 4.893,60 17.024,61 4.937,62 0.308,63 1.065,64 13.439,65 7.653,66 47.3,67 8.129,68 0.394,69 1.344,70 28.393,71 11.403,72 48.872,73 11.744,74 0.895,75 1.435,76 31.98,77 11.541,78 144.18,79 10.96,80 0.765,81 1.301,82 26.492,83 10.726,84 88.324,85 10.383,86 0.697,87 1.331,88 25.248,89 10.346,90 101.654,91 9.695,92 0.489,93 1.279,94 25.543,95 10.472,96 63.265,97 10.375,98 0.548,99 1.372,100 28.271,101 11.444,102 74.078,103 12.078,104 17,105 50,106 0.281,107 0.552,108 0.719,109 0.851,110 0.866,111 0.866,112 3.532,113 0.987,114 -4.24,115 -4.18,116 -3.95,119 48.1,125 1,134 1,137 1,141 13,142 2,143 2,144 2,150 2,156 1,171 11,173 1,174 6,177 1,179 1,182 13,186 10,191 2,194 10,198 2,199 7,202 3,204 1,207 8,212 3,213 8,216 1,218 3,221 7,225 1,226 11,231 3,234 7,239 10,244 2,247 9,250 2,251 10,256 2,259 12,263 1,264 10,269 2,271 15,274 2322,275 22.186,276 22.186,277 22.186,278 22.186,279 22.186,280 18.891,281 12.9,282 13.235,283 22.696,284 17.774,285 17.774,286 17.774,287 17.774,288 17.774,289 12.809,290 13.205,291 6.318,292 18.66,293 3.977,294 2.31,295 1.286,296 0.476,297 0.385,298 0.385,299 4.224,302 1,305 1,306 1,307 867,308 4.243,311 106.123,312 387.185,319 1.747,320 47.849,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 71.333,332 403,333 4.996,334 5.364,335 7.72,336 4.415,337 3.544,338 4.862,339 2.95,340 13.884,341 3.07,342 4.312,343 3.577,344 6.19,345 3.924,346 2.929,347 3.987,348 1.081,349 9.248,350 2.907,351 3.973,352 3.002,353 5.974,354 3.567,355 2.588,356 3.497,357 0.473,358 7.994,359 2.521,360 3.894,361 2.879,362 5.35,363 3.467,364 2.49,365 3.445,367 6.986,368 2.432,369 3.784,370 2.784,371 5.291,372 3.329,373 2.366,374 3.251,376 6.686,377 2.277,378 3.494,379 2.701,380 5.003,381 3.048,382 2.11,383 2.892,385 5.944,386 1.919,387 3.45,388 2.262,389 4.85,390 2.941,391 1.952,392 2.733,394 5.079,395 1.893,396 2.938,397 1.764,398 4.222,399 2.47,400 1.512,401 2.102,403 3.78,404 1.444,405 2.835,406 1.646,407 3.931,408 2.328,409 1.352,410 1.921,412 3.187,413 1.29,414 2.692,415 1.405,416 3.615,417 2.181,418 1.203,419 1.759,421 2.845,422 1.165,423 2.5,424 1.065,425 3.479,426 2,427 1,428 1.5,430 2.275,431 1,432 2.5,433 1,434 3.414,435 2,436 1,437 1.5,439 2.235,440 1,441 2.5,442 1,443 3.273,444 1.956,445 1,446 1.5,448 2.136,449 0.954,450 2.412,451 1,452 3.247,453 1.808,454 0.836,455 1.212,457 2.136,458 0.806,459 2.17,460 0.934,461 3.247,462 1.675,463 0.684,464 0.997,466 1.667,467 0.676,468 16.181,469 0.49,470 0.827,471 0.025,472 48.5,473 1.47,474 28,475 0.848,476 20.5,477 0.621,478 23.77,479 0.72,480 33.619,481 0.647,482 40.99,483 1.242,484 9.805,485 0.297,486 6.125,487 0.186,488 0.106,489 0.052,490 0.247,493 0.566,494 1.08,495 0.681,496 1.013,497 0.624,498 0.815,499 0.74,500 1.057,501 0.753,502 0.944,503 0.631,504 0.939,505 1.034,506 1.215,507 1.124,508 1.257,509 0.939,510 1.078,511 1.38,512 0.927,513 1.119,514 1.03,515 1.476,516 0.951,517 1.197,518 1.036,519 0.951,520 1.041,521 1.35,522 0.909,523 1.546,524 0.963,525 0.873,526 0.883,527 1.814,528 0.894,529 1.32,530 1.02,531 1.048,532 1.025,533 1.24,534 0.976,535 1.079,536 0.985,537 0.964,538 1.013,539 1.096,540 0.966,541 7,542 0.205,543 4.222,544 2.347,545 1.832,546 1.261,547 0.778,548 0.719,549 0.453,550 0.214,551 15191,552 49281,553 2.072,554 36.5,556 16,558 2,559 1,564 1.759,565 1.951,566 3.533,567 -0.352,573 89.616,574 1.723,575 3.391,576 4.415,577 5.224,578 5.316,579 5.316,580 2.995,581 4.415,582 5.011,583 3.712,584 1960.06,585 8.816,586 29436.1,591 296.423,592 1.455,593 4.975,594 0.194,595 0.006,596 0.084,597 0.047,598 0.038,599 0.025,600 0.016,601 0.015,602 0.009,603 0.005,604 0.44,605 0.17,606 0.88,607 0.522,608 174.472,609 0.038,610 -0.043,611 0.116,612 -0.032,613 -0.122,614 0.03,615 0.083,616 -0.038,617 0.013,618 -0.032,619 0.126,620 -0.086,621 -0.072,622 -0.222,623 -0.061,624 -0.185,625 -0.027,626 -0.109,627 0.001,628 0.113,629 -0.095,630 0.003,631 0.054,632 -0.016,633 0.112,634 -0.023,635 -0.032,636 -0.008,637 0.034,638 0.014,639 -0.176,640 0.036,641 -0.026,642 0.054,643 -0.211,644 0.007,645 -0.202,646 -0.032,647 -0.082,648 -0.008,649 -0.134,650 -0.032,651 -0.057,652 0.008,653 -0.048,654 -0.004,656 0.01,657 5.025,658 6.306,659 0.697,660 37.207,661 1.017,662 1.105,663 3.009,664 9.053,665 0.734,666 3.611,667 3.932,668 4.174,669 4.382,670 4.554,671 4.543,672 4.663,673 4.779,674 4.844,675 4.852,676 7.204,677 0.705,678 478.98,679 3.611,680 5.153,681 5.994,682 6.866,683 7.726,684 8.604,685 9.474,686 10.355,687 11.231,688 12.116,689 3.8,696 1,699 1,707 15,708 1,710 1,712 6,714 23,732 1,733 52,735 27,736 2,737 36,739 55,740 25,741 21,742 3,743 9,744 3,747 4,748 4,749 1,762 24,763 1,766 4,769 1,771 3,773 1,775 2,781 1,782 19,783 6,784 1,785 8,786 2,791 2,796 1,797 4,809 1,815 1,816 3,829 1,835 2,845 4,848 1,851 1,854 33,857 1,862 1,864 1,877 1,878 7.7,881 3,883 1,885 16.917,886 9.26,887 7.222,888 2.87,890 3.531,891 1.474,892 1.01,893 6.972,894 10.976,895 3.961,896 4.582,897 5.139,898 5.65,899 6.115,900 6.29,901 6.692,902 7.066,903 7.385,904 7.67,905 1,906 50,907 12.581,909 5.803,910 7.981,911 22.743,913 18.638,915 2.481,916 81.861,920 211.88,921 187.489,922 34.796,923 39.149,924 78.965,926 6.046,927 181.444,928 329.994,929 34.796,931 20.116,932 138.713,933 116.041,934 39.025,935 10.898,936 188.338,937 39.149,938 211.88,939 216.24,940 78.965,941 45.195,943 211.88,944 78.965,947 38.211,948 150.216,949 73.007,951 211.88,952 113.762,953 226.638,955 6.046,956 211.88,957 30.681,958 150.762,959 18.011,960 134.899,961 211.88,962 113.762,963 226.638,965 0.582,966 0.336,967 0.174,968 0.093,969 23,970 10,971 0.127,972 7,974 1,975 4.367,976 303.067,978 23,979 154.465,984 1,985 22.842,986 10.073,987 5.537,989 113.762,990 24.875,991 4.001,993 5.81,995 2.859,997 18.011,998 552.279,999 51.5,1002 -4.108,1004 39.632,1006 1.236,1008 -1.165,1011 52.865,1012 57.435,1013 0.302,1014 0.595,1015 0.774,1016 0.916,1017 0.933,1018 0.933,1019 5.18,1020 1.512,1021 5.994,1022 5.079,1023 4.615,1024 5.27,1025 3.053,1026 6.828,1027 4.519,1028 6.416,1029 1.352,1030 7.575,1031 3.78,1032 4.29,1033 5.182,1035 8.032,1036 4.035,1037 7.751,1038 1.203,1039 9.28,1040 3.187,1041 6.263,1042 7.553,1043 5.045,1044 11.122,1045 6.029,1046 9.133,1047 1,1048 11.069,1049 2.845,1050 6.815,1051 8.35,1053 13.268,1054 6.381,1055 10.557,1056 1,1057 12.919,1058 2.275,1059 8.281,1060 10.194,1061 7.187,1062 15.998,1063 7.84,1064 12.013,1065 1,1066 14.813,1067 2.235,1068 9.223,1069 11.4,1071 18.471,1072 8.573,1073 13.494,1074 0.836,1075 16.742,1076 2.136,1077 10.521,1078 13.056,1079 9.348,1080 21.123,1081 9.815,1082 3.544,1083 0.684,1084 18.697,1085 2.136,1086 11.638,1087 14.458,1089 23.701,1090 10.734,1091 2.929,1092 13.884,1093 20.672,1094 1.667,1095 12.889,1096 16.049,1097 11.511,1098 26.336,1099 11.886,1100 2.588,1101 9.248,1102 22.663,1103 4.862,1104 14.084,1105 17.544,1107 28.949,1108 12.896,1109 2.49,1110 7.994,1111 24.666,1112 3.987,1113 15.328,1114 19.116,1115 13.675,1116 31.58,1117 14.012,1118 2.366,1119 6.986,1120 26.679,1121 3.497,1122 16.557,1123 20.654,1125 34.204,1126 15.068,1127 2.11,1128 6.686,1129 28.698,1130 3.445,1131 17.804,1132 22.224,1133 15.838,1134 36.835,1135 16.172,1136 1.952,1137 5.944,1138 30.723,1139 3.251,1140 19.049,1141 23.783,1143 39.463,1144 17.251,1145 14453,1146 26229,1147 24.038,1148 38.188,1149 54.624,1150 56.163,1151 54.698,1152 54.181,1153 53.837,1154 75.266,1155 9.007,1156 153.829,1157 51.406,1158 5.913,1159 7.364,1160 7.522,1161 5.54,1162 5.544,1163 7.862,1164 5.9,1165 22.138,1166 5.07,1167 14.786,1168 1.517,1169 1.56,1170 1.519,1171 1.505,1172 1.495,1173 2.091,1174 0.25,1175 4.273,1176 1.428,1177 4.126,1178 4.101,1179 4.752,1180 4.134,1181 7.715,1182 4.044,1183 3.977,1184 3.979,1185 4.032,1186 3.912,1187 7.428,1188 3.904,1189 3.881,1190 3.923,1191 3.827,1192 3.776,1193 6.999,1194 3.78,1195 3.768,1196 3.787,1197 3.803,1198 3.691,1199 5.088,1200 3.687,1201 3.638,1202 3.638,1203 3.679,1204 3.552,1205 4.898,1206 3.523,1207 3.388,1208 3.419,1209 3.41,1210 3.169,1211 4.891,1212 3.17,1213 3.056,1214 3.08,1215 3.249,1216 2.948,1217 4.715,1218 2.929,1219 2.874,1220 2.925,1221 2.941,1222 2.78,1223 4.265,1224 2.771,1225 0.139,1226 0.149,1227 0.214,1228 0.123,1229 0.098,1230 4.996,1231 0.135,1232 5.364,1233 0.082,1234 7.72,1235 0.386,1236 4.415,1237 0.085,1238 3.544,1239 4.862,1240 2.95,1241 13.884,1242 3.07,1243 1.988,1244 2.011,1245 2,1246 2.04,1247 1.214,1248 2.079,1249 1.901,1250 1.883,1251 1.984,1252 1.981,1253 1.094,1254 1.985,1255 1.852,1256 1.814,1257 1.977,1258 1.969,1259 1.08,1260 1.981,1261 1.694,1262 1.683,1263 1.741,1264 1.807,1265 0.882,1266 1.813,1267 1.42,1268 1.401,1269 1.554,1270 1.563,1271 0.647,1272 1.564,1273 1.267,1274 1.251,1275 1.44,1276 1.489,1277 0.594,1278 1.51,1279 1.225,1280 1.213,1281 1.181,1282 1.426,1283 0.36,1284 1.406,1285 0.917,1286 0.898,1287 1.181,1288 1.132,1289 0.218,1290 1.123,1291 4.29,1293 5.609,1294 2.398,1295 7.12,1296 4.595,1297 8.714,1298 6.581,1299 10.353,1302 5.935,1307 0.127,1309 2.657,1318 36.658,1319 89.616,1320 176.317,1321 229.562,1322 271.668,1323 276.423,1324 276.423,1325 76.805,1326 7.445,1327 89.27,1328 97.65,1329 23,1330 12.651,1331 4.807,1332 4.044,1333 53.993,1334 132,1335 169,1336 0.183,1337 231.987,1338 404.58,1339 557.807,1340 16577,1341 1.9,1342 23.261,1343 0.705,1344 0.572,1345 24.011,1346 18.884,1347 15.931,1348 0.443,1349 0.329,1350 10.035,1351 14.406,1352 9.671,1353 8.014,1354 17.008,1355 11.842,1356 14.516,1357 0.29,1358 0.189,1359 16.225,1360 9.432,1361 11.951,1362 0.187,1363 0.106,1364 13.589,1365 6.799,1366 9.467,1367 0.12,1368 0.058,1369 10.902,1370 4.576,1371 7.382,1372 0.079,1373 0.033,1374 8.602,1375 3.071,1376 0.286,1377 109.994,1378 0.204,1379 30.648,1380 0.509,1381 172,1382 559.984,1383 240.69,1384 592.401,1385 788.13,1386 546,1387 200,1388 521.328,1389 271.746,1390 574.375,1391 834.74,1392 539,1393 4.303}
{0 CHEMBL1348269,1 1.73,2 10.905,3 2.895,4 8.379,5 79.943,6 8.45,7 0.545,8 3.653,9 3.752,10 3.3,11 3.127,12 4.998,13 3.151,14 4.068,15 4.192,16 3.581,17 3.441,18 5.496,19 3.458,20 4.248,21 4.397,22 3.634,23 3.507,24 5.602,25 3.511,26 4.321,27 4.522,28 3.423,29 3.367,30 5.632,31 3.352,32 4.143,33 4.363,34 3.124,35 3.177,36 5.382,37 3.122,38 3.907,39 4.157,40 3.061,41 3.052,42 5.057,43 2.983,44 3.756,45 3.918,46 3.055,47 3.055,48 5.111,49 3.011,50 3.802,51 4.009,52 2.987,53 3.021,54 4.988,55 2.975,56 0.212,57 0.494,58 5.605,59 2.843,60 9.49,61 3.178,62 0.355,63 0.701,64 9.806,65 4.306,66 47.256,67 4.934,68 0.409,69 0.818,70 12.226,71 4.861,72 26.85,73 5.884,74 0.544,75 0.788,76 16.202,77 4.844,78 53.506,79 6.076,80 0.528,81 0.642,82 14.493,83 4.283,84 68.371,85 5.518,86 0.397,87 0.533,88 11.787,89 3.72,90 31.808,91 5.478,92 0.301,93 0.48,94 7.94,95 3.296,96 33.514,97 4.097,98 0.236,99 0.485,100 9.27,101 3.461,102 17.917,103 4.528,104 21,105 29,106 0.317,107 0.639,108 0.747,109 0.831,110 0.852,111 0.852,112 3.101,113 0.819,114 -3.68,115 -3.65,116 -3.48,119 41.2,124 1,141 7,142 1,143 4,153 1,164 2,167 1,171 5,173 1,174 4,179 3,182 4,186 12,189 1,191 5,194 3,199 8,204 3,216 2,218 1,221 2,225 2,229 2,230 1,234 6,238 2,242 1,247 6,251 1,256 2,259 2,264 6,269 2,274 554,275 14.008,276 14.008,277 14.008,278 14.008,279 14.008,280 12.021,281 15.123,282 8.297,283 14.338,284 10.756,285 10.756,286 10.756,287 10.756,288 10.756,289 7.808,290 12.436,291 3.821,292 11.193,293 3.358,294 1.6,295 1.012,296 0.552,297 0.434,298 0.434,299 3.762,304 1,305 1,306 1,307 470,308 3.082,312 155.247,319 1.633,320 26.64,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 47.5,332 229,333 4.258,334 3.778,335 6.061,336 3.823,337 2.864,338 3.952,339 2.612,340 8.714,341 2.747,342 4.245,343 3.127,344 5.929,345 3.756,346 2.784,347 3.905,348 0.86,349 8.227,350 2.704,351 3.792,352 2.678,353 5.311,354 3.35,355 2.386,356 3.249,358 6.816,359 2.295,360 3.609,361 2.444,362 5.233,363 3.2,364 2.231,365 2.956,367 6.575,368 2.151,369 2.983,370 1.98,371 4.169,372 2.418,373 1.48,374 2.099,376 3.725,377 1.381,378 2.848,379 1.9,380 3.809,381 2.342,382 1.359,383 1.978,385 3.075,386 1.334,387 2.695,388 1.502,389 3.429,390 2.047,391 1.078,392 1.616,394 2.425,395 1.042,396 2.5,397 1.042,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 1.815,406 1,407 2.946,408 1.535,409 0.641,410 0.729,412 1.145,413 0.566,414 1.38,415 1,416 2.645,417 0.992,418 0.045,419 0.057,421 0.097,422 0.043,423 1,424 0.36,425 2.283,426 0.611,427 -0.295,428 -0.354,430 -0.548,431 -0.262,432 0.971,433 0.188,434 2,435 0.432,436 -0.534,437 -0.669,439 -1.281,440 -0.514,441 0.796,442 -0.323,443 2,444 0.115,445 -0.85,446 -1.17,448 -2,449 -0.813,450 0.59,451 -0.558,452 1.811,454 -1,455 -1.5,457 -2.037,458 -1,459 0.5,460 -1,461 1.542,463 -1,464 -1.621,466 -3,467 -1,468 9.533,469 0.454,470 0.489,471 0.023,472 31,473 1.476,474 18,475 0.857,476 13,477 0.619,478 11.099,479 0.529,480 22.867,481 0.673,482 21.815,483 1.039,484 6.595,485 0.314,486 3.501,487 0.167,488 0.157,490 0.304,493 0.626,494 0.993,495 0.694,496 0.951,497 0.658,498 0.871,499 0.838,500 1.172,501 0.801,502 1.027,503 0.517,504 0.926,505 0.838,506 1.378,507 0.96,508 1.261,509 0.645,510 1.159,511 1.233,512 1.17,513 1.179,514 1.08,515 1.099,516 1.094,517 1.129,518 0.89,519 1.202,520 0.91,521 1.271,522 1.046,523 0.314,524 0.57,525 0.656,526 0.665,527 0.32,528 0.748,529 0.632,530 0.96,531 0.994,532 1.068,533 0.828,534 1.145,535 0.724,536 0.976,537 0.883,538 1.063,539 0.551,540 1.02,541 4.5,542 0.078,543 2.444,544 1.063,545 0.836,546 0.59,547 0.243,548 0.149,549 0.18,550 0.153,551 4666,552 17901,553 1.968,554 38.2,556 10,558 1,559 2,564 1.622,565 1.826,566 3.411,567 0.425,569 1,571 1,573 58.81,574 1.73,575 3.487,576 4.076,577 4.536,578 4.653,579 4.653,580 2.892,581 3.654,582 4.365,583 3.569,584 749.491,585 7.427,586 8452.04,587 1,588 1,589 1,590 1,591 172.974,592 1.461,593 4.311,594 0.205,595 0.007,596 0.084,597 0.037,598 0.038,599 0.037,600 0.015,601 0.009,602 0.012,603 0.012,604 0.455,605 0.5,606 1,607 0.988,608 98.004,609 0.11,610 0.196,611 0.025,612 0.083,613 -0.072,614 0.026,615 -0.015,616 -0.09,617 0.006,618 0.006,619 0.148,620 0.014,621 -0.026,622 -0.312,623 -0.108,624 -0.274,625 0.031,626 -0.223,627 -0.251,628 -0.205,629 -0.176,630 -0.154,631 -0.135,632 -0.138,633 -0.162,634 0.04,635 -0.161,636 0.027,637 -0.234,638 -0.054,639 0.366,640 0.387,641 0.379,642 0.307,643 0.217,644 0.327,645 0.142,646 0.065,647 -0.122,648 -0.042,649 -0.002,650 -0.156,651 -0.022,652 -0.01,653 0.064,654 -0.045,655 0.05,656 0.031,657 2.465,658 3.619,659 0.571,660 17.995,661 1.03,662 1.13,663 2.453,664 6.019,665 0.666,666 3.135,667 3.401,668 3.584,669 3.689,670 3.829,671 3.807,672 3.689,673 3.555,674 3.638,675 3.807,676 6.39,677 0.663,678 287.3,679 3.135,680 4.635,681 5.442,682 6.275,683 7.096,684 7.93,685 8.754,686 9.589,687 10.414,688 11.248,689 8.8,694 1,698 1,700 1,707 7,712 5,714 12,726 1,729 1,730 1,733 34,735 15,736 2,737 22,739 35,740 14,741 12,742 5,743 7,744 1,747 2,748 2,750 1,762 13,763 1,766 3,768 1,771 2,773 1,774 1,778 1,779 1,782 13,783 6,784 2,785 7,791 3,796 1,797 4,816 2,845 2,850 1,854 21,861 1,864 1,865 1,878 11.8,880 1,883 1,884 2,885 11.5,886 6.267,887 4.806,888 1.7,890 2.934,891 1.465,892 0.912,893 4.872,894 9.244,895 3.466,896 4.043,897 4.538,898 5.006,899 5.5,900 5.651,901 5.81,902 5.856,903 6.181,904 6.735,905 1,906 29,907 7.65,909 3.142,910 8.23,911 13.853,913 10.483,915 2.73,916 57.333,920 129.482,921 100.207,922 40.221,924 104.43,927 100.207,928 233.912,929 40.221,930 16.553,932 66.334,933 81.39,934 41.605,936 117.711,937 50.747,938 129.482,939 140.428,940 104.43,943 129.482,944 53.683,945 50.747,947 16.663,948 91.159,949 32.606,951 129.482,952 144.651,953 100.207,956 129.482,957 13.942,958 91.934,959 17.888,960 121.093,961 129.482,962 144.651,963 100.207,965 0.572,966 0.33,967 0.157,968 0.078,969 12,970 6,971 0.143,972 5,974 1,975 3.407,976 143.345,978 12,979 84.239,985 14.97,986 6.834,987 4.016,989 138.981,990 10.762,995 1.731,997 60.572,998 374.34,999 31,1001 -0.465,1004 21.034,1006 1.514,1007 3.986,1011 35.033,1012 38.409,1013 0.34,1014 0.685,1015 0.801,1016 0.892,1017 0.915,1018 0.915,1019 4.654,1020 1,1021 5.407,1022 2.425,1023 4.078,1024 4.727,1025 2.616,1026 6.133,1027 4.005,1028 5.862,1029 0.641,1030 6.927,1031 2.275,1032 3.611,1033 4.527,1034 2.361,1035 6.905,1036 3.49,1037 7.158,1038 0.045,1039 8.541,1040 1.145,1041 5.602,1042 6.91,1043 4.172,1044 9.879,1045 5.463,1046 8.49,1047 -0.295,1048 10.21,1049 0.097,1050 5.916,1051 7.487,1052 4.506,1053 11.414,1054 5.716,1055 9.847,1056 -0.534,1057 11.911,1058 -0.548,1059 7.378,1060 9.346,1061 5.95,1062 13.885,1063 7.171,1064 11.222,1065 -0.85,1066 13.633,1067 -1.281,1068 8.051,1069 10.284,1070 6.556,1071 15.736,1072 7.779,1073 12.611,1074 -1,1075 15.369,1076 -2,1077 9.283,1078 11.911,1079 7.795,1080 18.017,1081 9.003,1082 2.864,1083 -1,1084 17.115,1085 -2.037,1086 10.133,1087 13.035,1088 8.548,1089 20.015,1090 9.792,1091 2.784,1092 8.714,1093 18.869,1094 -3,1095 11.26,1096 14.546,1097 9.67,1098 22.218,1099 10.904,1100 2.386,1101 8.227,1102 20.629,1103 3.952,1104 12.2,1105 15.773,1106 10.509,1107 24.288,1108 11.789,1109 2.231,1110 6.816,1111 22.394,1112 3.905,1113 13.277,1114 17.22,1115 11.563,1116 26.458,1117 12.845,1118 1.48,1119 6.575,1120 24.162,1121 3.249,1122 14.264,1123 18.506,1124 12.452,1125 28.565,1126 13.782,1127 1.359,1128 3.725,1129 25.934,1130 2.956,1131 15.319,1132 19.919,1133 13.468,1134 30.722,1135 14.811,1136 1.078,1137 3.075,1138 27.708,1139 2.099,1140 16.33,1141 21.239,1142 14.386,1143 32.848,1144 15.776,1145 4731,1146 9389,1147 14.216,1148 22.642,1149 32.124,1150 33.374,1151 33.167,1152 31.744,1153 31.735,1154 44.083,1155 6.945,1156 86.149,1157 30.523,1158 4.963,1159 5.778,1160 5.625,1161 4.827,1162 4.864,1163 6.952,1164 4.612,1165 14.937,1166 4.747,1167 11.829,1168 1.46,1169 1.517,1170 1.508,1171 1.443,1172 1.443,1173 2.004,1174 0.316,1175 3.916,1176 1.387,1177 3.996,1178 4.027,1179 3.957,1180 3.874,1181 7.815,1182 3.883,1183 3.914,1184 3.931,1185 3.87,1186 3.821,1187 6.999,1188 3.827,1189 3.534,1190 3.576,1191 3.506,1192 3.162,1193 6.47,1194 3.226,1195 3.333,1196 3.378,1197 3.249,1198 3.023,1199 4.886,1200 3.086,1201 3.138,1202 3.221,1203 2.96,1204 2.836,1205 4.737,1206 2.848,1207 2.931,1208 2.97,1209 2.807,1210 2.746,1211 4.553,1212 2.748,1213 2.854,1214 2.925,1215 2.687,1216 2.735,1217 4.226,1218 2.715,1219 2.746,1220 2.816,1221 2.611,1222 2.46,1223 3.674,1224 2.513,1225 0.194,1226 0.172,1227 0.276,1228 0.174,1229 0.13,1230 4.258,1231 0.18,1232 3.778,1233 0.119,1234 6.061,1235 0.396,1236 3.823,1237 0.125,1238 2.864,1239 3.952,1240 2.612,1241 8.714,1242 2.747,1243 1.918,1244 1.891,1245 2.011,1246 2.087,1247 1.083,1248 2.051,1249 1.878,1250 1.86,1251 1.97,1252 1.991,1253 1.062,1254 1.981,1255 1.309,1256 1.257,1257 1.58,1258 1.713,1259 0.579,1260 1.618,1261 1.197,1262 1.15,1263 1.378,1264 1.541,1265 0.322,1266 1.533,1267 1.049,1268 0.975,1269 1.204,1270 1.379,1271 0.218,1272 1.352,1273 0.886,1274 0.839,1275 1.181,1276 1.139,1277 0.193,1278 1.131,1279 0.883,1280 0.821,1281 1.133,1282 1.062,1283 0.125,1284 1.107,1285 0.645,1286 0.583,1287 0.867,1288 0.959,1290 0.957,1291 3.807,1293 5.081,1295 6.55,1297 8.101,1299 9.691,1301 1.471,1306 9.619,1309 2.741,1310 4.939,1318 22.557,1319 58.81,1320 118.567,1321 138.567,1322 154.219,1323 158.219,1324 158.219,1325 41.537,1326 6.31,1327 99.67,1328 99.67,1329 12,1330 11.82,1331 4,1332 3.322,1333 39.76,1334 82,1335 69,1336 0.239,1337 143.225,1338 251.28,1339 341.229,1340 4130,1342 15.242,1343 0.726,1344 0.533,1345 15.242,1346 11.185,1347 10.097,1348 0.459,1349 0.273,1350 5.872,1351 9.487,1352 5.742,1353 4.823,1354 10.097,1355 6.005,1356 8.78,1357 0.303,1358 0.142,1359 8.78,1360 4.105,1361 7.039,1362 0.201,1363 0.077,1364 7.039,1365 2.688,1366 5.278,1367 0.135,1368 0.042,1369 5.278,1370 1.626,1371 3.758,1372 0.084,1373 0.022,1374 3.758,1375 0.977,1376 0.389,1377 65.125,1378 0.265,1379 21.467,1380 0.617,1381 102,1382 404.979,1383 116.267,1384 383.582,1385 500.47,1386 352,1387 115,1388 360.04,1389 129.327,1390 358.573,1391 505.65,1392 332,1393 4.969}
{0 CHEMBL1348676,1 1.954,2 9.64,3 3.54,4 12.53,5 100.27,6 9.472,7 0.593,8 3.823,9 3.935,10 3.593,11 3.361,12 5.065,13 3.344,14 4.314,15 4.474,16 4.007,17 3.715,18 5.621,19 3.706,20 4.492,21 4.678,22 4.05,23 3.839,24 5.651,25 3.799,26 4.62,27 4.809,28 4.061,29 3.884,30 5.903,31 3.824,32 4.636,33 4.828,34 3.882,35 3.864,36 5.822,37 3.738,38 4.563,39 4.813,40 4,41 3.724,42 5.666,43 3.599,44 4.325,45 4.557,46 3.644,47 3.506,48 5.46,49 3.431,50 4.135,51 4.327,52 3.685,53 3.444,54 5.451,55 3.379,56 0.201,57 0.662,58 6.216,59 3.382,60 7.592,61 3.84,62 0.365,63 1.008,64 12.68,65 5.189,66 45.815,67 6.461,68 0.478,69 1.148,70 18.372,71 6.036,72 32.947,73 6.909,74 0.672,75 1.226,76 18.783,77 6.857,78 38.204,79 7.886,80 0.704,81 1.172,82 26.435,83 9.099,84 93.658,85 9.399,86 0.605,87 1.032,88 33.572,89 8.828,90 72.729,91 10.653,92 0.534,93 0.854,94 22.792,95 5.846,96 54.616,97 6.856,98 0.494,99 0.765,100 14.678,101 4.336,102 33.403,103 4.94,104 38,105 39,106 0.343,107 0.683,108 0.804,109 0.866,110 0.866,111 0.866,112 3.267,113 0.92,114 -5.48,115 -5.36,116 -5.01,119 37.5,120 2,121 1,125 1,141 4,143 3,145 1,150 1,159 1,160 1,164 4,171 2,173 3,174 7,182 5,185 2,186 7,194 2,198 6,199 10,207 5,212 3,213 3,221 2,225 1,226 10,234 2,238 2,239 6,250 5,251 4,259 2,263 2,264 4,271 3,274 866,275 16.345,276 16.345,277 16.345,278 16.345,279 16.345,280 13.926,281 16.501,282 9.363,283 16.891,284 13.263,285 13.263,286 13.263,287 13.263,288 13.263,289 9.706,290 14.9,291 4.368,292 14.212,293 3.368,294 1.43,295 0.738,296 0.388,297 0.388,298 0.388,299 3.939,302 1,304 1,305 1,306 1,307 507,308 3.082,311 145.708,312 78.251,319 1.363,320 29.365,322 1,323 0.75,324 1,325 1,326 0.8,328 1,329 1,330 0.79,331 55.333,332 241,333 4.6,334 3.893,335 6.809,336 4.164,337 3.207,338 4.373,339 2.612,340 11.076,341 3.072,342 4.516,343 3.844,344 6.766,345 4.072,346 3.152,347 4.227,349 11.03,350 2.895,351 3.899,352 3.075,353 5.615,354 3.41,355 2.484,356 3.481,358 7.131,359 2.288,360 3.764,361 3.022,362 5.395,363 3.229,364 2.285,365 3.234,367 6.902,368 2.145,369 3.249,370 2.788,371 4.953,372 2.818,373 1.894,374 2.488,376 5.468,377 1.735,378 3.204,379 2.29,380 4.784,381 2.745,382 1.823,383 2.419,385 5.025,386 1.68,387 3.118,388 2.155,389 4.747,390 2.699,391 1.778,392 2.297,394 4.861,395 1.569,396 2.732,397 1.735,398 4.167,399 2.261,400 1.29,401 1.771,403 3.295,404 1.247,405 2.682,406 1.312,407 3.756,408 2.185,409 1.211,410 1.762,412 2.691,413 1.152,414 2.311,415 1.053,416 3.464,417 1.792,418 0.829,419 1.22,421 2.126,422 0.795,423 1.803,424 1,425 3.253,426 1.531,427 0.567,428 0.683,430 1.43,431 0.543,432 1.053,433 0.771,434 2.635,435 0.792,436 -0.166,437 -0.193,439 -0.41,440 -0.155,441 1,442 0.54,443 2.371,444 0.609,445 -0.333,446 -0.391,448 -0.768,449 -0.254,450 0.944,451 0.241,452 2.339,453 0.382,454 -0.43,455 -0.526,457 -0.999,458 -0.326,459 0.832,460 0.206,461 2,462 0.219,463 -0.72,464 -0.851,466 -1.836,467 -0.669,468 12.114,469 0.485,470 0.792,471 0.032,472 34,473 1.36,474 17.5,475 0.7,476 16.5,477 0.66,478 20.51,479 0.82,480 26.886,481 0.672,482 24.357,483 0.974,484 6.709,485 0.268,486 5.171,487 0.207,488 0.265,490 0.388,493 0.427,494 1.245,495 0.661,496 0.965,497 0.508,498 0.91,499 0.565,500 1.344,501 0.513,502 0.873,503 0.357,504 0.809,505 1.034,506 1.005,507 0.91,508 0.805,509 0.675,510 0.862,511 0.936,512 0.908,513 0.888,514 0.888,515 0.786,516 1.077,517 1.343,518 1.02,519 1.244,520 1.163,521 1.61,522 1.246,523 0.736,524 1.072,525 0.79,526 0.958,527 0.752,528 0.857,529 1.191,530 0.841,531 1.079,532 0.812,533 1.05,534 0.826,535 0.855,536 0.73,537 1.031,538 0.766,539 0.748,540 0.865,541 5.5,542 0.127,543 3.333,544 3.139,545 1.292,546 0.594,547 0.551,548 0.375,549 0.352,550 0.269,551 6675,552 25606,553 1.992,554 37.5,556 6,559 1,560 8,564 1.681,565 1.807,566 3.253,567 -0.159,569 1,573 78.161,574 1.954,575 3.891,576 4.584,577 4.934,578 4.934,579 4.934,580 2.649,581 4.324,582 4.62,583 3.424,584 1027.19,585 7.991,586 12450.5,587 1,588 1,590 1,591 212.877,592 1.554,593 4.541,594 0.204,595 0.008,596 0.085,597 0.08,598 0.035,599 0.02,600 0.019,601 0.015,602 0.014,603 0.012,604 0.493,605 0.17,606 0.88,607 0.866,608 120.212,609 0.229,610 -0.05,611 -0.032,612 -0.077,613 0.002,614 -0.065,615 0.179,616 -0.271,617 0.172,618 -0.026,619 0.266,620 0.091,621 -0.209,622 0.077,623 -0.072,624 0.061,625 -0.072,626 0.027,627 -0.01,628 0.147,629 -0.125,630 -0.048,631 0.055,632 -0.198,633 -0.283,634 -0.054,635 -0.27,636 -0.109,637 -0.355,638 -0.259,639 0.125,640 -0.19,641 0.321,642 0.113,643 0.045,644 0.244,645 -0.198,646 0.097,647 -0.047,648 0.136,649 -0.145,650 0.169,651 0.101,652 0.348,653 -0.076,654 0.162,655 0.041,656 0.032,657 2.408,658 4.108,659 0.64,660 19.117,661 1.027,662 1.134,663 4.255,664 18.102,665 0.706,666 3.332,667 3.689,668 3.97,669 4.248,670 4.277,671 4.29,672 4.357,673 4.466,674 4.533,675 4.585,676 5.957,677 0.68,678 378.88,679 3.332,680 4.89,681 5.753,682 6.65,683 7.527,684 8.427,685 9.309,686 10.209,687 11.094,688 11.994,689 15,697 2,699 3,700 1,707 4,708 3,712 7,713 2,714 16,726 1,732 1,733 40,735 18,736 1,737 27,739 42,740 15,741 11,742 2,743 4,747 3,748 3,749 1,753 2,760 1,762 11,763 4,766 2,768 1,771 2,778 1,779 1,782 15,783 5,785 10,786 2,791 6,796 1,797 2,807 1,815 2,816 1,845 3,848 1,850 2,851 1,854 25,862 2,863 1,875 1,877 1,878 5,884 2,885 13.833,886 7.96,887 5.444,888 2.288,890 3.115,891 1.443,892 0.962,893 5.133,894 10.151,895 3.638,896 4.304,897 4.875,898 5.472,899 5.749,900 5.943,901 6.231,902 6.568,903 6.862,904 7.169,905 1,906 39,907 9.164,909 3.884,910 8.02,911 16.957,913 13.533,915 2.52,916 63,919 1,920 175.614,921 116.308,922 59.335,923 39.149,924 50.747,926 38.564,927 77.744,928 265.509,929 59.335,930 23.32,931 4.64,932 37.905,933 63.135,934 16.14,935 2.757,936 203.359,937 89.896,938 175.614,939 137.079,940 50.747,941 77.712,943 175.614,945 50.747,947 31.744,948 49.676,949 94.808,950 38.564,951 175.614,952 110.082,953 155.457,956 175.614,957 22.189,958 64.901,960 178.448,961 175.614,962 110.082,963 155.457,965 0.594,966 0.355,967 0.198,968 0.09,969 19,970 10,971 0.119,972 5,974 1,975 3.582,976 206.043,978 16,979 114.096,980 1,985 17.924,986 7.159,987 3.564,989 100.736,990 7.288,991 12.401,995 3.47,996 3.401,998 441.152,999 37,1001 -0.408,1004 22.215,1011 41.084,1012 45.349,1013 0.367,1014 0.731,1015 0.861,1016 0.927,1017 0.927,1018 0.927,1019 4.883,1020 1.29,1021 5.771,1022 4.861,1023 4.369,1024 4.99,1025 2.501,1026 6.629,1027 4.238,1028 6.133,1029 1.211,1030 7.368,1031 3.295,1032 4.111,1033 4.987,1034 2.361,1035 7.65,1036 3.869,1037 7.473,1038 0.829,1039 9.066,1040 2.691,1041 6.009,1042 7.261,1043 4.154,1044 10.772,1045 5.753,1046 8.849,1047 0.567,1048 10.822,1049 2.126,1050 6.553,1051 8.063,1052 4.506,1053 12.641,1054 6.202,1055 10.257,1056 -0.166,1057 12.617,1058 1.43,1059 7.97,1060 9.836,1061 5.948,1062 15.29,1063 7.594,1064 11.687,1065 -0.333,1066 14.439,1067 -0.41,1068 8.868,1069 10.997,1070 6.556,1071 17.493,1072 8.413,1073 13.135,1074 -0.43,1075 16.282,1076 -0.768,1077 10.113,1078 12.579,1079 7.794,1080 19.983,1081 9.621,1082 3.207,1083 -0.72,1084 18.141,1085 -0.999,1086 11.162,1087 13.903,1088 8.548,1089 22.312,1090 10.602,1091 3.152,1092 11.076,1093 20.012,1094 -1.836,1095 12.346,1096 15.409,1097 9.67,1098 24.746,1099 11.741,1100 2.484,1101 11.03,1102 21.892,1103 4.373,1104 13.457,1105 16.806,1106 10.509,1107 27.121,1108 12.792,1109 2.285,1110 7.131,1111 23.78,1112 4.227,1113 14.621,1114 18.283,1115 11.563,1116 29.536,1117 13.907,1118 1.894,1119 6.902,1120 25.674,1121 3.481,1122 15.759,1123 19.714,1124 12.452,1125 31.928,1126 14.988,1127 1.823,1128 5.468,1129 27.572,1130 3.234,1131 16.916,1132 21.18,1133 13.468,1134 34.335,1135 16.095,1136 1.778,1137 5.025,1138 29.474,1139 2.488,1140 18.065,1141 22.627,1142 14.386,1143 36.734,1144 17.19,1145 6620,1146 13106,1147 17.224,1148 28.256,1149 41.609,1150 43.644,1151 43.861,1152 41.277,1153 41.04,1154 55.913,1155 5.225,1156 122.066,1157 38.246,1158 5.453,1159 5.893,1160 6.361,1161 5.212,1162 5.207,1163 7.373,1164 4.612,1165 18.082,1166 5.072,1167 15.529,1168 1.541,1169 1.616,1170 1.624,1171 1.529,1172 1.52,1173 2.071,1174 0.194,1175 4.521,1176 1.417,1177 4.074,1178 4.126,1179 4.105,1180 3.913,1181 7.815,1182 3.925,1183 3.983,1184 4.026,1185 4.009,1186 3.817,1187 6.999,1188 3.845,1189 3.718,1190 3.761,1191 3.876,1192 3.572,1193 5.11,1194 3.58,1195 3.49,1196 3.534,1197 3.49,1198 3.177,1199 4.902,1200 3.173,1201 3.249,1202 3.325,1203 3.326,1204 2.995,1205 4.865,1206 2.98,1207 3.161,1208 3.255,1209 3.238,1210 2.846,1211 4.308,1212 2.933,1213 2.879,1214 2.922,1215 2.993,1216 2.8,1217 4.044,1218 2.77,1219 2.793,1220 2.889,1221 2.87,1222 2.697,1223 3.905,1224 2.656,1225 0.17,1226 0.144,1227 0.252,1228 0.154,1229 0.119,1230 4.6,1231 0.162,1232 3.893,1233 0.097,1234 6.809,1235 0.41,1236 4.164,1237 0.114,1238 3.207,1239 4.373,1240 2.612,1241 11.076,1242 3.072,1243 1.906,1244 1.88,1245 1.988,1246 2.017,1247 1.188,1248 2.012,1249 1.726,1250 1.683,1251 1.878,1252 1.983,1253 1.063,1254 1.924,1255 1.62,1256 1.563,1257 1.793,1258 1.87,1259 0.93,1260 1.842,1261 1.38,1262 1.314,1263 1.633,1264 1.602,1265 0.722,1266 1.607,1267 1.213,1268 1.16,1269 1.293,1270 1.513,1271 0.462,1272 1.472,1273 1.061,1274 1.003,1275 1.255,1276 1.428,1277 0.215,1278 1.418,1279 0.955,1280 0.865,1281 1.104,1282 1.277,1283 0.16,1284 1.259,1285 0.868,1286 0.824,1287 1.067,1288 1.015,1289 0.137,1290 1.057,1291 4.007,1293 5.352,1294 3.045,1295 6.874,1296 5.476,1297 8.48,1298 7.6,1299 10.132,1301 3.311,1302 6.053,1307 0.923,1308 4.347,1318 27.207,1319 78.161,1320 155.658,1321 183.367,1322 197.367,1323 197.367,1324 197.367,1325 48.002,1326 7.036,1327 94.35,1328 133.15,1329 16,1330 12.519,1331 4.248,1332 3.459,1333 41.758,1334 90,1335 74,1336 0.23,1337 177.278,1338 294.46,1339 424.319,1340 10063,1341 2.5,1342 18.137,1343 0.725,1344 0.608,1345 19.137,1346 15.199,1347 11.88,1348 0.44,1349 0.307,1350 7.394,1351 10.708,1352 7.114,1353 5.895,1354 12.457,1355 8.283,1356 11.155,1357 0.286,1358 0.162,1359 11.934,1360 6.318,1361 9.076,1362 0.175,1363 0.084,1364 9.675,1365 4.377,1366 8.098,1367 0.117,1368 0.046,1369 8.707,1370 3.184,1371 5.279,1372 0.074,1373 0.026,1374 5.766,1375 1.812,1376 0.358,1377 81.632,1378 0.241,1379 24.075,1380 0.639,1381 132,1382 465.643,1383 178.722,1384 493.961,1385 654.29,1386 454,1387 157,1388 466.557,1389 195.839,1390 476.641,1391 690.24,1392 446,1393 4.773}
{0 CHEMBL1350432,1 1.901,2 6.294,3 4.214,4 17.758,5 76.468,6 12.165,7 0.632,8 3.306,9 3.374,10 3.355,11 3.084,12 4.525,13 3.022,14 3.753,15 3.843,16 3.885,17 3.474,18 5.003,19 3.383,20 3.871,21 3.992,22 3.956,23 3.549,24 5.047,25 3.432,26 3.814,27 3.944,28 3.838,29 3.471,30 5.074,31 3.338,32 3.674,33 3.777,34 3.735,35 3.421,36 4.973,37 3.215,38 3.429,39 3.549,40 3.131,41 3.048,42 4.636,43 2.858,44 3.174,45 3.365,46 2.571,47 2.533,48 4.311,49 2.349,50 2.533,51 2.765,52 1.805,53 1.743,54 3.614,55 1.559,56 0.049,57 0.312,58 0.176,59 1.205,60 2.477,61 1.335,62 0.161,63 0.579,64 4.086,65 2.809,66 8.621,67 2.119,68 0.148,69 0.61,70 7.755,71 3.651,72 8.77,73 3.539,74 0.223,75 0.582,76 6.835,77 3.57,78 13.829,79 3.42,80 0.13,81 0.531,82 13.553,83 4.586,84 16.316,85 3.481,86 0.09,87 0.391,88 8.201,89 3.326,90 9.511,91 2.676,92 0.128,93 0.288,94 8.972,95 2.595,96 11.921,97 2.338,98 0.09,99 0.142,100 5.675,101 1.329,102 8.329,103 1.317,104 5,105 27,106 0.38,107 0.652,108 0.745,109 0.811,110 0.835,111 0.835,112 2.911,113 1.018,114 -4.33,115 -4.26,116 -4.02,119 47.8,141 5,143 2,146 2,147 1,157 1,171 4,173 2,174 4,182 4,186 4,194 3,198 1,199 5,207 2,213 2,221 2,226 3,234 3,239 2,247 2,251 1,259 1,274 287,275 11.621,276 11.621,277 11.621,278 11.621,279 11.621,280 9.985,281 10.72,282 6.875,283 12.238,284 9.383,285 9.383,286 9.383,287 9.383,288 9.383,289 6.994,290 13.454,291 3.247,292 10.519,293 2.623,294 1.266,295 0.798,296 0.468,297 0.348,298 0.348,299 3.586,303 1,305 1,306 1,307 232,308 1.732,311 29.166,312 80.91,315 56.604,319 0.934,320 11.624,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 35.833,332 107,333 4.558,334 4.902,335 6.965,336 4.184,337 3.292,338 4.137,339 4.506,340 11.795,341 2.94,342 3.991,343 3.686,344 6.1,345 3.544,346 2.633,347 3.52,348 0.861,349 8.668,350 2.396,351 3.537,352 3.011,353 5.1,354 3.004,355 2.112,356 2.86,357 0.229,358 5.839,359 1.844,360 3.191,361 2.61,362 4.962,363 2.626,364 1.796,365 2.394,367 5.281,368 1.452,369 2.887,370 2.169,371 4.203,372 2.401,373 1.472,374 2.045,376 3.623,377 1.345,378 2.823,379 1.661,380 3.701,381 2.243,382 1.338,383 1.942,385 2.999,386 1.194,387 2.5,388 1.517,389 3.405,390 2,391 1,392 1.5,394 2.136,395 1,396 1.943,397 1.168,398 3.247,399 1.564,400 0.733,401 0.854,403 1.921,404 0.577,405 1.31,406 1,407 2.568,408 0.677,409 -0.108,410 -0.142,412 -0.256,413 -0.077,414 0.861,415 0.496,416 2.397,417 0.328,418 -0.547,419 -0.727,421 -1.272,422 -0.41,423 0.638,424 -0.013,425 2.277,427 -0.844,428 -1.148,430 -1.973,431 -0.691,432 0.5,433 -0.681,434 1.928,435 -0.008,436 -1,437 -1.345,439 -2.347,440 -0.914,441 0.397,442 -0.8,443 1.555,444 -0.103,445 -1,446 -1.5,448 -2.769,449 -1,450 -0.091,451 -1,452 1.554,453 -0.649,454 -1.37,455 -1.804,457 -3.444,458 -1.021,459 -0.441,460 -1.168,461 1.257,462 -0.823,463 -1.673,464 -2.131,466 -4.789,467 -1.373,468 9.081,469 0.534,470 0.401,471 0.024,472 25.5,473 1.5,474 14,475 0.824,476 11.5,477 0.676,478 10.835,479 0.637,480 16.119,481 0.701,482 14.273,483 0.84,484 4.845,485 0.285,486 3.426,487 0.202,488 0.17,490 0.319,493 0.761,494 1.108,495 0.528,496 0.644,497 0.623,498 0.65,499 0.618,500 0.953,501 0.544,502 0.72,503 0.639,504 0.746,505 0.816,506 1.108,507 0.607,508 0.77,509 0.782,510 0.765,511 0.817,512 0.761,513 0.893,514 0.807,515 0.783,516 0.789,517 0.858,518 1.072,519 1.309,520 1.425,521 0.919,522 1.15,523 1.025,524 1.253,525 1.503,526 1.612,527 1.272,528 1.549,529 1.819,530 1,531 1.617,532 1.263,533 1.776,534 1.514,535 2.473,536 0.725,537 1.734,538 0.935,539 2.255,540 1.39,541 2.5,543 2,544 1.792,545 1.054,546 0.372,547 0.201,548 0.071,549 0.02,551 2180,552 8313,553 2.127,554 26.1,556 5,558 1,564 1.576,565 2,566 2.699,567 -0.634,573 43.724,574 1.901,575 3.258,576 3.725,577 4.056,578 4.176,579 4.176,580 2.145,581 3.293,582 4.062,583 2.758,584 375.141,585 6.898,586 3276.61,588 1,591 104.042,592 1.379,593 4.023,594 0.132,596 0.074,597 0.066,598 0.044,599 0.02,600 0.017,601 0.012,602 0.01,604 0.374,605 0.67,606 1,607 0.604,608 68.087,609 -0.088,610 -0.214,611 -0.002,612 -0.024,613 -0.101,614 -0.027,615 0.238,616 0.06,617 0.137,618 0.038,619 0.027,620 -0.049,621 0.056,622 -0.168,623 0.243,624 0.121,625 0.013,626 0.15,627 0.209,628 0.223,629 0.078,630 0.149,631 0.204,632 0.171,633 -0.087,634 -0.083,635 -0.127,636 -0.166,637 0.155,638 -0.101,639 -0.216,640 -0.34,641 -0.435,642 -0.506,643 -0.246,644 -0.503,645 -0.45,646 -0.103,647 -0.386,648 -0.242,649 -0.397,650 -0.275,651 -0.65,652 0.184,653 -0.31,654 0.083,655 -0.532,656 0.018,657 1.221,658 1.918,659 0.882,660 8.92,661 1.024,662 1.092,663 3.099,664 9.601,665 0.856,666 2.996,667 3.332,668 3.664,669 3.989,670 4.19,671 4.19,672 4.248,673 4.29,674 4.06,675 3.892,676 3.914,677 0.797,678 279.79,679 2.996,680 4.533,681 5.407,682 6.308,683 7.206,684 8.116,685 9.021,686 9.935,687 10.844,688 11.76,689 13,696 1,699 2,707 6,708 2,712 4,714 12,728 1,732 1,733 23,735 13,736 1,737 19,739 25,740 11,741 10,742 1,743 5,747 3,748 4,749 1,762 11,766 1,772 1,775 1,779 1,782 6,783 3,785 6,786 3,791 3,796 0.667,810 1,815 1,816 2,819 1,845 2,848 2,851 1,854 17,866 1,868 1,877 1,885 8.5,886 4.326,887 3.722,888 1.28,890 2.351,891 1.365,892 1.021,893 2.843,894 8.788,895 3.296,896 3.892,897 4.46,898 5.059,899 5.575,900 5.685,901 6.02,902 6.391,903 6.452,904 6.624,905 1,906 27,907 6.201,909 2.636,910 7.732,911 11.731,913 9.58,915 2.232,916 37.944,917 0.002,920 70.627,921 143.119,922 36.695,923 39.149,926 77.412,927 65.707,928 109.775,929 36.695,931 3.124,932 47.381,933 45.342,934 12.926,935 44.548,936 91.075,937 45.192,938 70.627,939 102.402,941 116.56,943 70.627,947 11.743,948 57.088,949 33.571,950 116.56,951 70.627,952 36.695,953 182.267,956 70.627,957 41.927,958 59.124,960 117.912,961 70.627,962 36.695,963 182.267,965 0.582,966 0.355,967 0.209,968 0.116,969 15,970 6,971 0.04,972 1,973 1,974 1.133,975 2.908,976 126.027,977 0.133,978 15,979 62.732,981 1,982 1,985 11.111,986 4.349,987 1.852,989 36.695,990 11.304,991 8.211,995 3.008,998 289.589,999 26,1005 5.35,1008 0.716,1011 23.549,1012 25.109,1013 0.42,1014 0.72,1015 0.823,1016 0.897,1017 0.923,1018 0.923,1019 4.522,1020 0.733,1021 5.398,1022 2.136,1023 4.007,1024 4.575,1025 3.701,1026 6.263,1027 3.787,1028 5.728,1029 -0.108,1030 6.986,1031 1.921,1032 3.611,1033 4.29,1034 3.054,1035 7.29,1036 3.204,1037 7.037,1038 -0.547,1039 8.683,1040 -0.256,1041 5.631,1042 6.73,1043 6.562,1044 10.466,1045 5.208,1046 8.384,1047 -0.844,1048 10.447,1049 -1.272,1050 6.111,1051 7.259,1052 6.477,1053 12.381,1054 5.496,1055 9.765,1056 -1,1057 12.254,1058 -1.973,1059 7.603,1060 9.174,1061 9.501,1062 15.074,1063 6.966,1064 11.172,1065 -1,1066 14.091,1067 -2.347,1068 8.486,1069 10.107,1070 9.745,1071 17.328,1072 7.671,1073 12.6,1074 -1.37,1075 15.949,1076 -2.769,1077 9.776,1078 11.778,1079 12.451,1080 19.865,1081 8.91,1082 3.292,1083 -1.673,1084 17.824,1085 -3.444,1086 10.834,1087 12.926,1088 12.931,1089 22.249,1090 9.811,1091 2.633,1092 11.795,1093 19.711,1094 -4.789,1095 12.051,1096 14.474,1097 15.408,1098 24.737,1099 10.951,1100 2.112,1101 8.668,1102 21.608,1103 4.137,1104 13.184,1105 15.74,1106 16.069,1107 27.17,1108 11.943,1109 1.796,1110 5.839,1111 23.512,1112 3.52,1113 14.378,1114 17.223,1115 18.37,1116 29.642,1117 13.042,1118 1.472,1119 5.281,1120 25.422,1121 2.86,1122 15.542,1123 18.555,1124 19.176,1125 32.095,1126 14.078,1127 1.338,1128 3.623,1129 27.337,1130 2.394,1131 16.729,1132 20.004,1133 21.339,1134 34.563,1135 15.161,1136 1,1137 2.999,1138 29.256,1139 2.045,1140 17.907,1141 21.373,1142 22.26,1143 37.024,1144 16.217,1145 2151,1146 4331,1147 12.83,1148 19.693,1149 28.967,1150 32.59,1151 29.892,1152 28.984,1153 28.752,1154 38.504,1155 11.193,1156 84.523,1157 25.497,1158 5.423,1159 6.902,1160 6.767,1161 5.317,1162 5.292,1163 7.137,1164 8.641,1165 19.152,1166 4.94,1167 6.456,1168 1.525,1169 1.715,1170 1.573,1171 1.525,1172 1.513,1173 2.027,1174 0.589,1175 4.449,1176 1.342,1177 3.978,1178 4.008,1179 4.268,1180 3.916,1181 5.113,1182 3.893,1183 3.782,1184 3.814,1185 3.822,1186 3.724,1187 4.801,1188 3.699,1189 3.251,1190 3.275,1191 3.753,1192 3.252,1193 4.647,1194 3.155,1195 2.854,1196 2.925,1197 3.245,1198 2.752,1199 4.459,1200 2.72,1201 2.828,1202 2.857,1203 3.004,1204 2.735,1205 3.822,1206 2.715,1207 2.682,1208 2.716,1209 2.791,1210 2.609,1211 3.674,1212 2.567,1213 2.459,1214 2.474,1215 2.687,1216 2.399,1217 3.535,1218 2.362,1219 1.706,1220 1.802,1221 2.323,1222 1.789,1223 3.339,1224 1.563,1225 0.24,1226 0.258,1227 0.367,1228 0.22,1229 0.173,1230 4.558,1231 0.218,1232 4.902,1233 0.237,1234 6.965,1235 0.621,1236 4.184,1237 0.155,1238 3.292,1239 4.137,1240 4.506,1241 11.795,1242 2.94,1243 1.894,1244 1.863,1245 2.008,1246 1.995,1247 1.078,1248 1.999,1249 1.676,1250 1.648,1251 1.676,1252 1.833,1253 0.762,1254 1.812,1255 1.214,1256 1.229,1257 1.181,1258 1.276,1259 0.344,1260 1.306,1261 0.886,1262 0.821,1263 1.161,1264 1.062,1265 0.218,1266 1.107,1267 0.821,1268 0.783,1269 0.846,1270 0.895,1271 0.045,1272 0.966,1273 0.638,1274 0.599,1275 0.731,1276 0.777,1278 0.82,1279 0.449,1280 0.424,1281 0.381,1282 0.586,1284 0.599,1287 0.291,1288 0.133,1290 0.23,1291 3.664,1293 4.99,1294 2.398,1295 6.532,1296 4.844,1297 8.172,1298 7.05,1299 9.861,1302 6.029,1311 1.421,1313 1.906,1318 18.32,1319 43.724,1320 74.923,1321 85.677,1322 93.287,1323 96.042,1324 96.042,1325 17.391,1326 6.438,1327 30.71,1328 91.04,1329 17,1330 12.272,1331 3.807,1332 3,1333 23.525,1334 39,1335 38,1336 0.311,1337 124.592,1338 206.73,1339 295.764,1340 4304,1341 4.3,1342 11.828,1343 0.696,1344 0.641,1345 13.182,1346 10.889,1347 8.271,1348 0.435,1349 0.339,1350 4.929,1351 7.184,1352 4.695,1353 3.873,1354 9.256,1355 6.449,1356 7.424,1357 0.275,1358 0.198,1359 8.943,1360 5.358,1361 6.467,1362 0.17,1363 0.108,1364 8.065,1365 4.108,1366 5.752,1367 0.109,1368 0.059,1369 7.421,1370 3.131,1371 4.666,1372 0.072,1373 0.035,1374 6.433,1375 2.246,1376 0.453,1377 61.178,1378 0.279,1379 16.579,1380 0.967,1381 92,1382 284.86,1383 159.929,1384 354.975,1385 475.82,1386 330,1387 111,1388 304.132,1389 167.371,1390 343.62,1391 511.84,1392 322,1393 4.304}
{0 CHEMBL1351081,1 1.698,2 9.8,3 3.174,4 10.072,5 114.78,6 8.518,7 0.364,8 4.028,9 4.128,10 3.705,11 3.583,12 5.188,13 3.582,14 4.569,15 4.714,16 4.101,17 3.974,18 5.75,19 3.959,20 4.806,21 4.977,22 4.193,23 4.122,24 5.995,25 4.084,26 4.842,27 5.022,28 4.145,29 4.13,30 6.126,31 4.064,32 4.86,33 5.055,34 4.083,35 4.097,36 6.045,37 4.037,38 4.817,39 5.005,40 4.109,41 4.003,42 6.056,43 3.979,44 4.778,45 4.97,46 4.132,47 3.957,48 6.194,49 3.937,50 4.723,51 4.89,52 4.064,53 4.053,54 5.868,55 3.995,56 0.095,57 0.711,58 7.967,59 4.355,60 10.622,61 5.103,62 0.422,63 1.157,64 17.433,65 7.288,66 27.993,67 8.783,68 0.554,69 1.391,70 25.647,71 9.458,72 50.515,73 11.235,74 0.626,75 1.395,76 30.159,77 10.689,78 79.359,79 13.304,80 0.585,81 1.41,82 29.368,83 11.005,84 74.345,85 13.676,86 0.64,87 1.368,88 26.92,89 9.338,90 87.699,91 11.122,92 0.976,93 1.322,94 26.186,95 8.532,96 118.19,97 10.741,98 0.561,99 1.251,100 23.953,101 8.937,102 61.793,103 10.53,104 26,105 47,106 0.284,107 0.617,108 0.758,109 0.819,110 0.835,111 0.835,112 3.441,113 0.902,114 -3.48,115 -3.45,116 -3.3,119 44,120 1,125 4,134 2,141 6,142 2,143 4,156 3,171 6,173 2,174 9,177 1,179 3,182 8,185 1,186 7,191 2,194 7,198 2,199 7,202 1,204 3,207 7,212 2,213 8,216 1,218 2,221 7,226 6,234 5,238 5,239 8,242 3,244 2,247 6,250 1,251 3,259 4,264 9,271 7,274 1666,275 20.068,276 20.068,277 20.068,278 20.068,279 20.068,280 18.107,281 30.412,282 11.662,283 20.528,284 16.244,285 16.244,286 16.244,287 16.244,288 16.244,289 13.06,290 41.033,291 5.514,292 16.988,293 3.946,294 1.957,295 1.115,296 0.75,297 0.655,298 0.655,299 4.133,302 1,305 1,306 1,307 634,308 3,311 88.249,312 297.385,319 1.44,320 41.516,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 65.833,332 294,333 4.496,334 3.875,335 6.772,336 4.174,337 3.203,338 4.094,339 1.349,340 11.054,341 3.112,342 4.284,343 3.62,344 6.622,345 3.993,346 3.022,347 3.869,348 1.058,349 10.514,350 2.93,351 4.204,352 3.205,353 5.959,354 3.774,355 2.828,356 3.606,357 0.86,358 8.38,359 2.657,360 3.686,361 3.181,362 5.702,363 3.427,364 2.475,365 2.954,366 0.8,367 7.552,368 2.34,369 3.546,370 3.088,371 5.243,372 3.174,373 2.203,374 2.809,375 0.8,376 6.463,377 2.134,378 3.371,379 2.579,380 5.088,381 2.982,382 1.991,383 2.609,385 5.848,386 1.958,387 3.214,388 2.352,389 4.732,390 2.795,391 1.732,392 2.303,394 4.726,395 1.822,396 2.935,397 2.289,398 4.479,399 2.641,400 1.701,401 1.982,403 4.282,404 1.59,405 2.82,406 1.878,407 4.043,408 2.333,409 1.414,410 1.948,412 3.525,413 1.228,414 2.545,415 1.768,416 3.849,417 2.091,418 1.183,419 1.505,421 2.878,422 1.063,423 2.497,424 1.256,425 3.744,426 2.037,427 1.031,428 1.348,430 2.618,431 1.031,432 2.249,433 1.247,434 3.496,435 1.952,436 1,437 1.129,439 2.231,440 0.946,441 2,442 1.123,443 3.247,444 1.806,445 0.839,446 1,448 2.136,449 0.807,450 1.541,451 0.949,452 2.895,453 1.189,454 0.239,455 0.291,457 0.533,458 0.211,459 1.522,460 0.721,461 2.706,462 0.986,463 -0.056,464 -0.079,466 -0.132,467 -0.056,468 14.248,469 0.475,470 0.822,471 0.027,472 39.5,473 1.317,474 19.5,475 0.65,476 20,477 0.667,478 24.851,479 0.828,480 31.952,481 0.639,482 32.784,483 1.093,484 7.994,485 0.266,486 6.442,487 0.215,488 0.155,490 0.372,493 0.68,494 1.365,495 0.594,496 1.015,497 0.529,498 0.894,499 0.826,500 1.136,501 0.698,502 0.863,503 0.558,504 0.847,505 1.086,506 1.039,507 0.948,508 0.915,509 0.907,510 0.935,511 0.799,512 1.057,513 1.103,514 1.146,515 0.832,516 1.1,517 0.908,518 0.989,519 0.863,520 1.019,521 1.126,522 0.994,523 1.18,524 1.128,525 0.8,526 0.961,527 1.27,528 0.936,529 0.856,530 0.92,531 0.715,532 0.725,533 0.819,534 0.78,535 1.077,536 0.911,537 1.046,538 0.955,539 1.128,540 1.026,541 6,542 0.232,543 4,544 2.66,545 1.628,546 1.063,547 0.944,548 0.567,549 0.422,550 0.311,551 10962,552 34894,553 2.067,554 40,555 3,556 16,559 1,564 1.736,565 1.915,566 3.245,567 -0.316,568 1,569 1,573 84.892,574 1.698,575 3.687,576 4.528,577 4.894,578 4.989,579 4.989,580 2.652,581 4.282,582 4.878,583 3.452,584 1501.77,585 8.553,586 20724.4,588 1,590 1,591 282.193,592 1.475,593 4.828,594 0.182,595 0.009,596 0.085,597 0.054,598 0.035,599 0.024,600 0.021,601 0.013,602 0.01,603 0.008,604 0.441,605 0.33,606 1,607 0.594,608 151.924,609 -0.047,610 -0.21,611 0.027,612 -0.071,613 -0.039,614 -0.011,615 0.016,616 -0.024,617 0.048,618 0.066,619 0.041,620 0.053,621 -0.152,622 0.022,623 -0.06,624 0.032,625 -0.057,626 -0.006,627 0.057,628 -0.056,629 -0.099,630 -0.153,631 0.101,632 -0.117,633 -0.012,634 -0.017,635 0.002,636 -0.044,637 -0.078,638 -0.001,639 -0.119,640 -0.105,641 0.024,642 -0.038,643 -0.113,644 -0.004,645 0.262,646 0.138,647 0.13,648 0.176,649 0.293,650 0.134,651 -0.15,652 0.13,653 -0.144,654 0.009,655 -0.175,656 -0.086,657 2.101,658 6.188,659 0.767,660 27.4,661 1.018,662 1.12,663 2.245,664 5.04,665 0.691,666 3.526,667 3.871,668 4.159,669 4.419,670 4.605,671 4.663,672 4.868,673 4.99,674 5.081,675 5.136,676 6.283,677 0.67,678 425.9,679 3.526,680 5.081,681 5.943,682 6.83,683 7.707,684 8.598,685 9.482,686 10.376,687 11.264,688 12.16,689 6,695 1,696 2,707 6,712 6,714 12,720 1,727 1,732 1,733 50,735 16,736 2,737 33,739 53,740 22,741 12,742 6,743 6,744 5,747 4,748 4,749 1,753 1,762 17,763 5,766 4,771 3,773 2,775 3,779 1,782 20,783 7,784 1,785 8,786 1,791 3,794 1,796 1,797 4,815 1,816 3,835 2,844 1,845 4,850 1,851 1,854 30,862 4,864 1,865 1,868 2,877 1,878 8,881 3,882 1,885 15.667,886 9.376,887 6.528,888 2.957,890 2.522,891 1.335,892 0.989,893 5.907,894 10.042,895 3.784,896 4.344,897 4.887,898 5.408,899 5.898,900 6.076,901 6.473,902 6.772,903 7.037,904 7.291,905 1,906 49,907 11.163,909 4.884,910 7.97,911 20.81,913 17.117,915 2.47,916 74.111,919 1,920 223.651,921 130.287,922 24.259,923 39.149,924 86.435,927 130.287,928 349.234,929 24.259,930 8.825,931 34.531,932 75.81,933 100.549,934 21.266,936 223.651,937 39.149,938 223.651,939 154.547,940 86.435,941 39.149,943 223.651,944 75.435,945 11,947 43.356,948 92.238,949 58.101,951 223.651,952 110.694,953 169.436,956 223.651,957 45.652,958 90.884,959 18.011,960 125.583,961 223.651,962 110.694,963 169.436,965 0.59,966 0.352,967 0.188,968 0.098,969 23,970 11,971 0.075,972 4,974 1,975 4.014,976 275.841,978 23,979 134.452,985 20.604,986 8.601,987 4.292,989 110.694,990 10.284,995 3.435,997 18.011,998 503.781,999 43,1004 37.367,1006 2.429,1008 -1.225,1011 50.891,1012 56.013,1013 0.301,1014 0.653,1015 0.802,1016 0.867,1017 0.884,1018 0.884,1019 5.043,1020 1.701,1021 5.943,1022 4.726,1023 4.554,1024 5.03,1025 2.349,1026 6.777,1027 4.476,1028 6.247,1029 1.414,1030 7.521,1031 4.282,1032 4.205,1033 4.868,1034 0.57,1035 7.73,1036 4.091,1037 7.556,1038 1.183,1039 9.2,1040 3.525,1041 6.172,1042 7.156,1043 2.457,1044 10.847,1045 6.024,1046 8.898,1047 1.031,1048 10.938,1049 2.878,1050 6.635,1051 7.78,1052 1.045,1053 12.64,1054 6.447,1055 10.272,1056 1,1057 12.714,1058 2.618,1059 8.087,1060 9.573,1061 2.701,1062 15.276,1063 7.869,1064 11.667,1065 0.839,1066 14.516,1067 2.231,1068 8.916,1069 10.561,1070 1.661,1071 17.412,1072 8.661,1073 13.079,1074 0.239,1075 16.338,1076 2.136,1077 10.168,1078 12.146,1079 3.045,1080 19.883,1081 9.884,1082 3.203,1083 -0.056,1084 18.175,1085 0.533,1086 11.164,1087 13.317,1088 2.329,1089 22.163,1090 10.847,1091 3.022,1092 11.054,1093 20.024,1094 -0.132,1095 12.339,1096 14.804,1097 3.463,1098 24.575,1099 11.994,1100 2.828,1101 10.514,1102 21.881,1103 4.094,1104 13.411,1105 16.071,1106 3,1107 26.916,1108 13.035,1109 2.475,1110 8.38,1111 23.747,1112 3.869,1113 14.558,1114 17.51,1115 3.935,1116 29.309,1117 14.155,1118 2.203,1119 7.552,1120 25.618,1121 3.606,1122 15.665,1123 18.829,1124 3.66,1125 31.675,1126 15.233,1127 1.991,1128 6.463,1129 27.494,1130 2.954,1131 16.803,1132 20.244,1133 4.444,1134 34.062,1135 16.345,1136 1.732,1137 5.848,1138 29.375,1139 2.809,1140 17.927,1141 21.593,1142 4.308,1143 36.44,1144 17.442,1145 10510,1146 18891,1147 21.789,1148 34.546,1149 50.727,1150 53.206,1151 51.982,1152 49.799,1153 49.723,1154 62.891,1155 9.734,1156 145.478,1157 47.656,1158 5.496,1159 5.875,1160 6.574,1161 5.278,1162 5.203,1163 7.094,1164 2.549,1165 18.187,1166 5.112,1167 15.912,1168 1.537,1169 1.612,1170 1.575,1171 1.509,1172 1.507,1173 1.906,1174 0.295,1175 4.408,1176 1.444,1177 4.034,1178 4.063,1179 4.039,1180 3.934,1181 7.449,1182 3.943,1183 3.912,1184 3.937,1185 3.956,1186 3.848,1187 7.429,1188 3.844,1189 3.797,1190 3.832,1191 3.749,1192 3.625,1193 7.408,1194 3.65,1195 3.651,1196 3.684,1197 3.552,1198 3.466,1199 4.933,1200 3.477,1201 3.35,1202 3.4,1203 3.386,1204 3.153,1205 4.723,1206 3.173,1207 3.111,1208 3.206,1209 3.188,1210 2.941,1211 4.57,1212 2.918,1213 3.085,1214 3.145,1215 2.927,1216 2.923,1217 4.364,1218 2.91,1219 2.935,1220 2.992,1221 2.866,1222 2.795,1223 4.214,1224 2.767,1225 0.136,1226 0.117,1227 0.205,1228 0.126,1229 0.097,1230 4.496,1231 0.124,1232 3.875,1233 0.041,1234 6.772,1235 0.335,1236 4.174,1237 0.094,1238 3.203,1239 4.094,1240 1.349,1241 11.054,1242 3.112,1243 1.948,1244 1.924,1245 2.034,1246 2.069,1247 1.249,1248 2.06,1249 1.89,1250 1.866,1251 1.989,1252 1.981,1253 1.132,1254 1.99,1255 1.638,1256 1.585,1257 1.847,1258 1.862,1259 1.046,1260 1.857,1261 1.5,1262 1.478,1263 1.645,1264 1.649,1265 0.825,1266 1.644,1267 1.32,1268 1.286,1269 1.556,1270 1.584,1271 0.645,1272 1.55,1273 1.209,1274 1.168,1275 1.513,1276 1.463,1277 0.62,1278 1.433,1279 1.153,1280 1.064,1281 1.304,1282 1.376,1283 0.365,1284 1.429,1285 1.046,1286 0.999,1287 1.245,1288 1.283,1289 0.27,1290 1.284,1291 4.205,1293 5.541,1294 2.398,1295 7.071,1296 4.727,1297 8.686,1298 6.783,1299 10.346,1301 1.881,1302 6.178,1307 2.394,1309 2.861,1310 5.412,1313 3.096,1318 33.492,1319 84.892,1320 184.365,1321 226.418,1322 244.683,1323 249.438,1324 249.438,1325 66.484,1326 7.52,1327 80.64,1328 80.64,1329 23,1330 12.686,1331 4.087,1332 3.459,1333 46.622,1334 106,1335 124,1336 0.202,1337 207.655,1338 374.89,1339 498.439,1340 17321,1341 2,1342 21.25,1343 0.708,1344 0.57,1345 21.75,1346 17.109,1347 14.436,1348 0.437,1349 0.301,1350 9.423,1351 13.542,1352 9.187,1353 7.537,1354 14.724,1355 9.92,1356 13.255,1357 0.282,1358 0.159,1359 13.626,1360 7.471,1361 11.33,1362 0.18,1363 0.087,1364 11.732,1365 5.481,1366 9.389,1367 0.114,1368 0.044,1369 9.639,1370 3.629,1371 7.313,1372 0.074,1373 0.024,1374 7.468,1375 2.375,1376 0.31,1377 94.004,1378 0.214,1379 27.884,1380 0.58,1381 160,1382 526.769,1383 192.59,1384 528.908,1385 700.7,1386 492,1387 190,1388 479.704,1389 218.619,1390 491.843,1391 724.96,1392 463,1393 5.023}
{0 CHEMBL1352171,1 1.437,2 14.486,3 5.141,4 26.429,5 142.174,6 6.995,7 0.564,8 4.289,9 4.424,10 3.816,11 3.84,12 5.327,13 3.802,14 4.845,15 5.043,16 4.191,17 4.245,18 5.796,19 4.19,20 5.099,21 5.31,22 4.301,23 4.408,24 6.061,25 4.334,26 5.243,27 5.483,28 4.254,29 4.419,30 6.208,31 4.321,32 5.226,33 5.492,34 4.146,35 4.363,36 6.137,37 4.254,38 5.124,39 5.382,40 4.129,41 4.327,42 6.022,43 4.228,44 5.081,45 5.301,46 4.095,47 4.347,48 6.051,49 4.235,50 5.179,51 5.44,52 3.964,53 4.353,54 6.028,55 4.182,56 0.098,57 1.028,58 14.71,59 6.12,60 11.741,61 8.545,62 0.23,63 1.668,64 27.403,65 10.076,66 24.101,67 14.744,68 0.343,69 2.078,70 36.168,71 12.571,72 36.221,73 18.401,74 0.524,75 2.278,76 43.414,77 13.743,78 60.672,79 20.453,80 0.574,81 2.171,82 43.591,83 13.111,84 63.382,85 20.035,86 0.39,87 1.986,88 38.696,89 12.426,90 46.725,91 18.721,92 0.406,93 1.931,94 36.064,95 12.81,96 55.078,97 18.452,98 0.407,99 2.005,100 40.511,101 15.427,102 54.199,103 22.54,104 26,105 56,106 0.225,107 0.552,108 0.71,109 0.799,110 0.832,111 0.837,112 3.588,113 0.945,114 -5.51,115 -5.39,116 -5.03,119 41.8,120 4,121 2,122 1,125 3,141 8,142 4,143 1,145 2,146 1,150 1,156 1,164 2,171 14,173 1,174 10,177 1,179 2,182 17,185 3,186 11,191 4,194 9,198 4,199 9,204 3,207 7,212 1,213 12,216 1,218 1,221 10,226 14,234 12,238 1,239 9,242 1,247 15,250 2,251 6,254 2,256 1,259 9,263 1,264 7,267 1,271 7,274 2348,275 23.637,276 23.637,277 23.637,278 23.637,279 23.637,280 20.767,281 31.795,282 13.647,283 23.953,284 19.182,285 19.182,286 19.182,287 19.182,288 19.182,289 14.876,290 38.477,291 6.436,292 19.668,293 4.629,294 2.549,295 1.538,296 0.97,297 0.761,298 0.732,299 4.293,306 1,307 1112,308 3.317,311 79.354,312 454.825,315 152.428,319 2.271,320 24.928,323 0.75,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.84,331 74,332 507,333 4.775,334 3.708,335 7.047,336 4.319,337 3.355,338 4.754,339 1.909,340 12.07,341 3.236,342 4.176,343 3.46,344 6.389,345 3.872,346 2.901,347 3.775,348 0.8,349 9.73,350 2.843,351 4.165,352 3.068,353 6.07,354 3.792,355 2.811,356 3.769,357 0.561,358 8.69,359 2.762,360 3.969,361 3.008,362 6.025,363 3.716,364 2.723,365 3.325,367 8.523,368 2.68,369 3.848,370 2.772,371 5.968,372 3.517,373 2.549,374 3.105,376 8.324,377 2.453,378 3.661,379 2.49,380 5.139,381 3.27,382 2.289,383 3.063,385 6.201,386 2.239,387 3.262,388 2.183,389 5.102,390 2.865,391 1.902,392 2.546,394 5.685,395 1.827,396 3.102,397 2.036,398 4.839,399 2.789,400 1.816,401 2.202,403 5.107,404 1.763,405 2.923,406 1.883,407 4.37,408 2.574,409 1.599,410 2.087,412 4.183,413 1.557,414 2.848,415 1.811,416 4.243,417 2.414,418 1.414,419 1.982,421 3.667,422 1.414,423 2.737,424 1.488,425 4.097,426 2.345,427 1.357,428 1.812,430 3.32,431 1.333,432 2.543,433 1.312,434 3.939,435 2.162,436 1.19,437 1.529,439 2.973,440 1.153,441 2.5,442 1.118,443 3.6,444 2,445 1,446 1.5,448 2.733,449 1,450 2.303,451 1.077,452 3.414,453 1.984,454 1,455 1.247,457 2.275,458 0.983,459 2,460 1.052,461 3.414,462 1.94,463 0.971,464 1,466 2.275,467 0.939,468 16.733,469 0.478,470 0.925,471 0.026,472 44.25,473 1.264,474 22,475 0.629,476 22.25,477 0.636,478 35.109,479 1.003,480 37.267,481 0.556,482 33.965,483 0.97,484 8.558,485 0.245,486 8.36,487 0.239,488 0.139,490 0.376,493 0.658,494 1.254,495 0.83,496 1.097,497 0.594,498 1.001,499 0.767,500 1.179,501 0.799,502 0.969,503 0.552,504 0.896,505 1.107,506 1.193,507 1.006,508 1.077,509 1.018,510 1.036,511 1.439,512 1.163,513 1.143,514 1.08,515 1.568,516 1.081,517 1.456,518 0.917,519 1.095,520 0.858,521 1.382,522 0.916,523 1.295,524 0.91,525 0.999,526 0.853,527 0.984,528 0.876,529 1.32,530 1.091,531 1.218,532 1.141,533 1.452,534 1.169,535 0.607,536 1.071,537 1.069,538 1.204,539 0.711,540 1.195,541 6.5,542 0.23,543 5.111,544 2.792,545 2.046,546 1.643,547 1.079,548 0.502,549 0.356,550 0.356,551 19690,552 43356,553 2.106,554 47.8,555 6,556 14,559 1,560 7,561 4,564 1.765,565 1.963,566 3.767,567 -0.401,573 96.312,574 1.437,575 3.517,576 4.528,577 5.096,578 5.305,579 5.334,580 3.283,581 4.786,582 5.096,583 3.966,584 2360.01,585 8.936,586 37389,591 406.428,592 1.438,593 5.057,594 0.167,595 0.008,596 0.091,597 0.047,598 0.038,599 0.034,600 0.022,601 0.011,602 0.009,603 0.011,604 0.436,605 0.17,606 0.63,607 0.548,608 190.891,609 0.141,610 -0.046,611 0.075,612 -0.028,613 0.01,614 0.005,615 0.131,616 -0.065,617 0.15,618 0.047,619 0.1,620 0.092,621 0.001,622 -0.101,623 -0.032,624 -0.092,625 -0.028,626 -0.072,627 -0.076,628 -0.116,629 -0.13,630 -0.139,631 -0.16,632 -0.144,633 -0.145,634 0.106,635 -0.07,636 0.063,637 -0.146,638 0.017,639 -0.153,640 0.116,641 0.004,642 0.099,643 0.015,644 0.08,645 -0.125,646 -0.048,647 -0.238,648 -0.146,649 -0.086,650 -0.197,651 0.16,652 -0.125,653 -0.106,654 -0.19,655 0.087,656 -0.182,657 1.535,658 5.838,659 0.771,660 44.207,661 0.991,662 1.128,663 4.283,664 18.346,665 0.662,666 3.689,667 4.043,668 4.357,669 4.625,670 4.883,671 5.024,672 5.187,673 5.318,674 5.464,675 5.595,676 8.26,677 0.622,678 468.66,679 3.689,680 5.252,681 6.125,682 7.017,683 7.907,684 8.807,685 9.706,686 10.612,687 11.518,688 12.429,689 9,695 1,696 1,697 1,699 3,706 2,707 8,708 3,712 7,713 1,714 22,727 1,733 67,735 23,736 2,737 39,739 71,740 28,741 17,742 4,743 8,747 5,748 6,753 4,757 2,758 1,760 2,762 18,763 10,764 1,766 1,771 1,775 1,782 32,783 6,784 1,785 7,791 6,796 0.8,797 1,807 1,808 1,815 1,816 4,819 1,829 1,845 4,850 4,854 35,862 5,864 1,867 1,868 1,878 1.5,881 1,885 17.833,886 13.417,887 7.583,888 4.219,890 3.977,891 1.467,892 0.998,893 6.575,894 12.486,895 3.951,896 4.588,897 5.207,898 5.806,899 6.367,900 6.726,901 7.158,902 7.598,903 7.947,904 8.258,905 0.9,906 60,907 12.977,909 5.522,910 7.557,911 25.336,913 21.208,915 2.057,916 72,920 364.904,921 152.074,922 72.901,924 25.145,927 152.074,928 390.049,929 72.901,930 35.301,931 29.397,932 75.81,933 79.839,934 24.688,935 5.085,936 364.904,938 364.904,939 224.974,940 25.145,943 317.82,944 72.229,947 71.375,948 103.61,949 49.989,951 364.904,952 98.046,953 152.074,956 364.904,957 40.963,958 116.012,959 18.011,960 75.134,961 364.904,962 98.046,963 152.074,965 0.591,966 0.355,967 0.186,968 0.102,969 28,970 13,971 0.07,972 5,973 1,974 1.074,975 4.564,976 339.347,977 0.074,978 27,979 167.525,985 23.505,986 9.791,987 4.679,988 1.923,989 96.269,990 16.546,991 13.98,995 7.347,996 1.982,997 18.011,998 615.023,999 51,1004 12.838,1008 0.132,1011 66.425,1012 75.597,1013 0.237,1014 0.58,1015 0.747,1016 0.84,1017 0.874,1018 0.879,1019 5.207,1020 1.816,1021 6.125,1022 5.685,1023 4.727,1024 5.276,1025 2.146,1026 6.971,1027 4.677,1028 6.427,1029 1.599,1030 7.71,1031 5.107,1032 4.369,1033 5.156,1034 1.668,1035 7.953,1036 4.293,1037 7.749,1038 1.414,1039 9.397,1040 4.183,1041 6.358,1042 7.522,1043 2.946,1044 11.08,1045 6.252,1046 9.108,1047 1.357,1048 11.143,1049 3.667,1050 6.825,1051 8.257,1052 3.047,1053 12.913,1054 6.69,1055 10.502,1056 1.19,1057 12.928,1058 3.32,1059 8.29,1060 10.111,1061 4.051,1062 15.577,1063 8.126,1064 11.921,1065 1,1066 14.74,1067 2.973,1068 9.131,1069 11.259,1070 4.416,1071 17.766,1072 8.934,1073 13.36,1074 1,1075 16.573,1076 2.733,1077 10.398,1078 12.915,1079 5.259,1080 20.286,1081 10.171,1082 3.355,1083 0.971,1084 18.421,1085 2.275,1086 11.415,1087 14.269,1088 5.758,1089 22.634,1090 11.151,1091 2.901,1092 12.07,1093 20.282,1094 2.275,1095 12.611,1096 15.849,1097 6.511,1098 25.115,1099 12.314,1100 2.811,1101 9.73,1102 22.153,1103 4.754,1104 13.712,1105 17.306,1106 7.078,1107 27.536,1108 13.377,1109 2.723,1110 8.69,1111 24.034,1112 3.775,1113 14.888,1114 18.861,1115 7.782,1116 30.011,1117 14.517,1118 2.549,1119 8.523,1120 25.922,1121 3.769,1122 16.031,1123 20.368,1124 8.386,1125 32.465,1126 15.621,1127 2.289,1128 8.324,1129 27.817,1130 3.325,1131 17.207,1132 21.918,1133 9.064,1134 34.943,1135 16.759,1136 1.902,1137 6.201,1138 29.719,1139 3.105,1140 18.374,1141 23.449,1142 9.687,1143 37.414,1144 17.886,1145 18398,1146 27475,1147 26.065,1148 44.387,1149 59.49,1150 59.96,1151 61.524,1152 58.907,1153 58.902,1154 76.784,1155 6.54,1156 174.115,1157 57.494,1158 5.775,1159 5.708,1160 6.737,1161 5.367,1162 5.355,1163 7.754,1164 3.31,1165 19.704,1166 5.236,1167 18.018,1168 1.525,1169 1.537,1170 1.578,1171 1.51,1172 1.51,1173 1.969,1174 0.168,1175 4.464,1176 1.474,1177 4.148,1178 4.194,1179 4.127,1180 4.012,1181 7.428,1182 4.033,1183 3.951,1184 3.987,1185 3.88,1186 3.883,1187 5.139,1188 3.878,1189 3.883,1190 3.924,1191 3.815,1192 3.803,1193 4.781,1194 3.801,1195 3.818,1196 3.861,1197 3.725,1198 3.697,1199 4.743,1200 3.697,1201 3.457,1202 3.525,1203 3.38,1204 3.219,1205 4.531,1206 3.246,1207 3.38,1208 3.462,1209 3.273,1210 3.166,1211 4.274,1212 3.176,1213 3.189,1214 3.269,1215 3.042,1216 3.036,1217 4.05,1218 3.025,1219 3.166,1220 3.256,1221 2.961,1222 3.001,1223 3.94,1224 2.984,1225 0.122,1226 0.095,1227 0.181,1228 0.111,1229 0.086,1230 4.775,1231 0.122,1232 3.708,1233 0.049,1234 7.047,1235 0.309,1236 4.319,1237 0.083,1238 3.355,1239 4.754,1240 1.909,1241 12.07,1242 3.236,1243 1.941,1244 1.911,1245 2.072,1246 2.077,1247 1.413,1248 2.072,1249 1.932,1250 1.902,1251 2.046,1252 2.034,1253 1.206,1254 2.038,1255 1.897,1256 1.857,1257 2.038,1258 2.018,1259 1.164,1260 2.027,1261 1.778,1262 1.737,1263 1.91,1264 1.918,1265 1.078,1266 1.919,1267 1.461,1268 1.395,1269 1.668,1270 1.699,1271 0.825,1272 1.689,1273 1.337,1274 1.266,1275 1.582,1276 1.608,1277 0.757,1278 1.601,1279 1.209,1280 1.13,1281 1.55,1282 1.425,1283 0.718,1284 1.47,1285 1.192,1286 1.106,1287 1.527,1288 1.418,1289 0.634,1290 1.465,1291 4.369,1293 5.714,1294 2.398,1295 7.256,1296 4.844,1297 8.886,1298 7.066,1299 10.562,1301 8.223,1307 3.658,1309 3.133,1312 0.01,1313 2.228,1318 41.692,1319 96.312,1320 235.631,1321 303.408,1322 341.408,1323 355.408,1324 357.408,1325 58.784,1326 8.509,1327 75.94,1328 75.94,1329 29,1330 12.945,1331 4.585,1332 3.7,1333 52.439,1334 172,1335 177,1336 0.147,1337 254.95,1338 433.31,1339 613.837,1340 67822,1342 24.526,1343 0.701,1344 0.596,1345 24.526,1346 20.876,1347 16.919,1348 0.434,1349 0.315,1350 12.163,1351 16.404,1352 11.707,1353 9.762,1354 16.919,1355 12.289,1356 15.49,1357 0.277,1358 0.171,1359 15.49,1360 9.571,1361 13.658,1362 0.177,1363 0.093,1364 13.658,1365 7.143,1366 11.221,1367 0.111,1368 0.049,1369 11.221,1370 4.951,1371 9.109,1372 0.07,1373 0.026,1374 9.109,1375 3.37,1376 0.235,1377 104.973,1378 0.196,1379 32.518,1380 0.39,1381 190,1382 474.294,1383 204.648,1384 469.702,1385 662.67,1386 442,1387 228,1388 513.476,1389 245.092,1390 521.278,1391 762.81,1392 491,1393 4.791}
{0 CHEMBL1352586,1 1.882,2 12.161,3 4.241,4 17.989,5 115.393,6 9.031,7 0.588,8 4.043,9 4.139,10 3.798,11 3.555,12 5.302,13 3.559,14 4.537,15 4.673,16 4.178,17 3.927,18 5.857,19 3.914,20 4.722,21 4.906,22 4.211,23 4.005,24 5.862,25 3.961,26 4.73,27 4.89,28 4.301,29 3.937,30 6.086,31 3.937,32 4.705,33 4.861,34 4.156,35 3.871,36 6.103,37 3.853,38 4.625,39 4.8,40 4.072,41 3.837,42 5.828,43 3.811,44 4.631,45 4.803,46 4.026,47 3.8,48 5.916,49 3.811,50 4.591,51 4.767,52 4.019,53 3.76,54 5.942,55 3.78,56 0.308,57 0.786,58 7.461,59 4.214,60 14.26,61 4.536,62 0.586,63 1.225,64 16.329,65 7.081,66 65.187,67 8.06,68 0.721,69 1.38,70 26.333,71 9.157,72 61.174,73 10.338,74 0.869,75 1.348,76 24,77 7.986,78 73.856,79 8.658,80 1.103,81 1.254,82 26.194,83 8.169,84 115.128,85 8.15,86 0.779,87 1.207,88 25.997,89 8.093,90 69.866,91 8.577,92 0.876,93 1.165,94 22.679,95 7.195,96 76.643,97 7.993,98 0.827,99 1.13,100 18.561,101 6.209,102 60.718,103 7.488,104 27,105 47,106 0.313,107 0.681,108 0.829,109 0.876,110 0.882,111 0.882,112 3.472,113 0.912,114 -4.24,115 -4.18,116 -3.95,119 38.8,120 1,121 2,125 2,141 5,143 3,145 3,150 1,156 1,160 1,164 4,171 5,173 3,174 4,177 1,179 3,182 4,185 1,186 7,189 2,191 2,194 1,198 4,199 10,202 3,204 3,207 2,212 5,213 2,216 4,218 1,221 2,225 3,226 2,229 3,230 1,231 1,234 2,238 4,239 4,242 1,244 1,247 3,250 5,251 7,254 2,256 2,259 1,263 4,264 11,267 1,269 2,271 2,274 1761,275 21.146,276 21.146,277 21.146,278 21.146,279 21.146,280 18.4,281 17.772,282 12.732,283 21.74,284 16.803,285 16.803,286 16.803,287 16.803,288 16.803,289 12.549,290 20.724,291 5.982,292 17.781,293 3.732,294 1.511,295 0.62,296 0.342,297 0.301,298 0.301,299 4.168,305 1,306 1,307 813,308 4.123,311 135.086,312 170.481,315 254.679,319 1.929,320 42.012,323 0.75,324 0.67,325 0.67,326 0.5,328 0.67,329 0.5,330 0.54,331 70,332 377,333 4.724,334 4.576,335 6.945,336 4.242,337 3.282,338 4.69,339 2.95,340 11.726,341 3.152,342 4.458,343 3.832,344 6.256,345 3.924,346 2.984,347 4.4,348 2.612,349 9.512,350 2.817,351 4.052,352 3.681,353 6.127,354 3.541,355 2.6,356 3.667,357 2.443,358 8.794,359 2.443,360 3.661,361 3.292,362 5.446,363 3.347,364 2.374,365 3.06,366 0.4,367 6.973,368 2.287,369 3.637,370 2.834,371 5.068,372 3.191,373 2.265,374 2.829,375 0.286,376 6.068,377 2.09,378 3.465,379 2.614,380 5.028,381 2.937,382 2.018,383 2.806,385 5.936,386 1.824,387 3.25,388 2.445,389 4.65,390 2.666,391 1.718,392 2.552,394 4.485,395 1.619,396 3.032,397 1.946,398 4.414,399 2.495,400 1.532,401 2.298,403 4.312,404 1.474,405 2.84,406 1.532,407 3.904,408 2.384,409 1.433,410 1.996,412 3.089,413 1.353,414 2.668,415 1.476,416 3.608,417 2.333,418 1.359,419 1.715,421 2.962,422 1.312,423 2.485,424 1.409,425 3.569,426 2.11,427 1.128,428 1.478,430 2.597,431 1.105,432 2.2,433 1.353,434 3.45,435 1.997,436 1,437 1.111,439 2.063,440 0.991,441 2.105,442 1.092,443 3.142,444 1.685,445 0.759,446 1.02,448 1.688,449 0.695,450 1.847,451 1,452 3.033,453 1.295,454 0.356,455 0.521,457 0.86,458 0.328,459 1.611,460 0.981,461 3,462 1.277,463 0.347,464 0.41,466 0.757,467 0.324,468 14.4,469 0.465,470 0.695,471 0.022,472 42.5,473 1.371,474 21.5,475 0.694,476 21,477 0.677,478 24.466,479 0.789,480 33.6,481 0.686,482 33.453,483 1.079,484 8.309,485 0.268,486 6.753,487 0.218,488 0.104,490 0.34,493 0.542,494 1.143,495 0.652,496 0.907,497 0.501,498 0.861,499 0.628,500 1.236,501 0.726,502 1.047,503 0.434,504 0.946,505 0.865,506 1.055,507 0.964,508 0.996,509 0.733,510 0.86,511 1.032,512 1.146,513 0.892,514 1.041,515 1.046,516 0.918,517 1.231,518 0.951,519 1.268,520 1.035,521 1.415,522 0.975,523 0.958,524 0.971,525 1.206,526 1.18,527 0.985,528 0.985,529 1.039,530 0.988,531 0.941,532 0.946,533 0.933,534 0.905,535 0.883,536 0.986,537 0.72,538 0.779,539 0.852,540 0.862,541 5.5,542 0.213,543 2.889,544 2.41,545 1.613,546 1.067,547 0.581,548 0.484,549 0.433,550 0.322,551 12832,552 43128,553 2.084,554 36.7,555 5,556 9,559 2,560 2,564 1.74,565 1.958,566 3.527,567 0.353,569 1,573 92.232,574 1.882,575 4.104,576 4.995,577 5.273,578 5.314,579 5.314,580 3.066,581 4.349,582 4.917,583 3.723,584 1731.09,585 8.617,586 24816.8,588 1,590 1,591 275.121,592 1.383,593 4.888,594 0.162,595 0.008,596 0.061,597 0.051,598 0.034,599 0.025,600 0.015,601 0.012,602 0.011,603 0.008,604 0.386,605 0.17,606 0.88,607 1.755,608 161.187,609 0.164,610 0.039,611 0.064,612 0.074,613 0.02,614 0.02,615 0.145,616 -0.151,617 0.147,618 -0.025,619 0.198,620 0.01,621 -0.04,622 -0.029,623 0.137,624 0.103,625 -0.036,626 0.166,627 0.012,628 -0.108,629 0.155,630 -0.018,631 0.002,632 0.016,633 -0.018,634 0.067,635 -0.125,636 0.036,637 -0.084,638 -0.048,639 -0.001,640 0.075,641 -0.058,642 -0.078,643 -0.096,644 -0.004,645 0.003,646 0.002,647 -0.023,648 -0.023,649 -0.032,650 0.033,651 0.114,652 0.02,653 0.069,654 0.038,655 0.062,656 0.042,657 2.548,658 4.692,659 0.581,660 35.014,661 1.033,662 1.132,663 3.013,664 9.08,665 0.684,666 3.555,667 3.871,668 4.159,669 4.477,670 4.654,671 4.796,672 4.956,673 5.124,674 5.187,675 5.328,676 7.127,677 0.674,678 442.5,679 3.555,680 5.094,681 5.948,682 6.836,683 7.715,684 8.614,685 9.504,686 10.409,687 11.307,688 12.216,689 12.2,694 1,697 1,699 3,700 1,706 4,707 5,708 3,709 1,710 1,712 4,714 20,725 1,726 1,733 49,735 23,736 2,737 34,739 52,740 19,741 13,742 7,743 5,747 4,748 6,753 1,760 2,762 14,763 5,766 3,768 1,771 3,775 1,779 1,782 18,783 9,784 2,785 12,786 1,788 1,791 6,796 0.5,797 5,815 2,816 2,819 2,832 1,845 2,846 1,848 1,850 1,854 31,862 4,864 1,865 1,866 1,878 10.2,881 1,883 2,884 2,885 15.833,886 9.217,887 6.917,888 3.05,890 4.039,891 1.512,892 0.979,893 6.584,894 11.931,895 3.871,896 4.516,897 5.14,898 5.822,899 6.324,900 6.737,901 7.185,902 7.64,903 7.864,904 8.329,905 1,906 47,907 11.448,909 4.944,910 8.043,911 21.126,913 16.996,915 2.543,916 78.833,919 1,920 188.338,921 123.718,922 96.445,924 96.853,926 32.22,927 91.499,928 285.19,929 96.445,930 14.495,931 11.767,932 47.381,933 106.326,934 51.936,935 2.144,936 220.557,937 50.747,938 188.338,939 187.944,940 96.853,941 32.22,943 188.338,944 46.106,945 50.747,947 44.503,948 63.781,949 79.66,950 32.22,951 188.338,952 193.298,953 123.718,956 188.338,957 67.512,958 61.876,959 34.796,960 152.831,961 188.338,962 193.298,963 123.718,965 0.571,966 0.333,967 0.192,968 0.097,969 22,970 10,971 0.192,972 10,973 2,974 1.222,975 4.227,976 279.987,977 0.222,978 18,979 151.58,981 1,985 21.403,986 9.537,987 4.754,988 1.955,989 170.842,990 9.166,991 12.088,992 3.196,993 4.787,995 1.133,997 34.796,998 505.354,999 47,1001 -0.548,1004 34.883,1008 -0.309,1011 50.625,1012 55.448,1013 0.335,1014 0.731,1015 0.89,1016 0.939,1017 0.946,1018 0.946,1019 5.094,1020 1.532,1021 5.927,1022 4.485,1023 4.554,1024 5.204,1025 3.688,1026 6.753,1027 4.445,1028 6.316,1029 1.433,1030 7.488,1031 4.312,1032 4.111,1033 5.147,1034 2.946,1035 7.692,1036 3.954,1037 7.641,1038 1.359,1039 9.155,1040 3.089,1041 6.146,1042 7.515,1043 5.564,1044 10.837,1045 5.934,1046 9.008,1047 1.128,1048 10.886,1049 2.962,1050 6.567,1051 8.334,1052 5.082,1053 12.66,1054 6.31,1055 10.41,1056 1,1057 12.66,1058 2.597,1059 8.051,1060 10.171,1061 7.571,1062 15.319,1063 7.749,1064 11.838,1065 0.759,1066 14.464,1067 2.063,1068 8.874,1069 11.382,1070 7.069,1071 17.503,1072 8.53,1073 13.287,1074 0.356,1075 16.291,1076 1.688,1077 10.147,1078 13.022,1079 9.632,1080 20.01,1081 9.763,1082 3.282,1083 0.347,1084 18.135,1085 0.86,1086 11.157,1087 14.41,1088 9.001,1089 22.345,1090 10.731,1091 2.984,1092 11.726,1093 19.992,1094 0.757,1095 12.352,1096 15.976,1097 11.724,1098 24.807,1099 11.889,1100 2.6,1101 9.512,1102 21.861,1103 4.69,1104 13.447,1105 17.441,1106 10.91,1107 27.207,1108 12.943,1109 2.374,1110 8.794,1111 23.738,1112 4.4,1113 14.618,1114 18.979,1115 13.835,1116 29.658,1117 14.076,1118 2.265,1119 6.973,1120 25.624,1121 3.667,1122 15.752,1123 20.478,1124 12.807,1125 32.087,1126 15.171,1127 2.018,1128 6.068,1129 27.515,1130 3.06,1131 16.918,1132 22.008,1133 15.96,1134 34.538,1135 16.299,1136 1.718,1137 5.936,1138 29.412,1139 2.829,1140 18.071,1141 23.523,1142 14.701,1143 36.981,1144 17.413,1145 12385,1146 22968,1147 22.77,1148 33.523,1149 50.607,1150 54.221,1151 52.337,1152 50.368,1153 50.416,1154 69.241,1155 17.383,1156 143.94,1157 47.719,1158 5.648,1159 6.576,1160 6.724,1161 5.42,1162 5.282,1163 7.69,1164 5.9,1165 19.287,1166 5.152,1167 15.047,1168 1.488,1169 1.595,1170 1.539,1171 1.481,1172 1.483,1173 2.036,1174 0.511,1175 4.234,1176 1.404,1177 4.134,1178 4.162,1179 4.215,1180 4.02,1181 7.815,1182 4.023,1183 4.051,1184 4.085,1185 4.03,1186 3.916,1187 7.432,1188 3.936,1189 3.722,1190 3.762,1191 3.671,1192 3.533,1193 6.999,1194 3.536,1195 3.578,1196 3.618,1197 3.609,1198 3.333,1199 5.382,1200 3.33,1201 3.518,1202 3.569,1203 3.497,1204 3.284,1205 5.054,1206 3.272,1207 3.382,1208 3.433,1209 3.367,1210 3.059,1211 4.54,1212 3.152,1213 3.248,1214 3.287,1215 3.153,1216 2.984,1217 4.389,1218 3.017,1219 3.108,1220 3.158,1221 3.024,1222 2.869,1223 4.314,1224 2.881,1225 0.139,1226 0.135,1227 0.204,1228 0.125,1229 0.097,1230 4.724,1231 0.138,1232 4.576,1233 0.087,1234 6.945,1235 0.345,1236 4.242,1237 0.093,1238 3.282,1239 4.69,1240 2.95,1241 11.726,1242 3.152,1243 1.933,1244 1.916,1245 2.01,1246 2.094,1247 1.177,1248 2.047,1249 1.909,1250 1.881,1251 1.96,1252 2.006,1253 1.159,1254 2.009,1255 1.67,1256 1.62,1257 1.928,1258 1.882,1259 1.096,1260 1.891,1261 1.478,1262 1.411,1263 1.728,1264 1.737,1265 0.984,1266 1.733,1267 1.376,1268 1.338,1269 1.421,1270 1.667,1271 0.528,1272 1.612,1273 1.181,1274 1.145,1275 1.415,1276 1.555,1277 0.483,1278 1.49,1279 1.1,1280 1.043,1281 1.22,1282 1.432,1283 0.221,1284 1.396,1285 0.947,1286 0.894,1287 1.127,1288 1.391,1289 0.193,1290 1.253,1291 4.234,1293 5.549,1294 3.045,1295 7.052,1296 5.352,1297 8.656,1298 7.424,1299 10.322,1301 1.88,1307 1.296,1309 2.955,1310 5.099,1311 1.256,1318 33.05,1319 92.232,1320 201.093,1321 244.756,1322 258.366,1323 260.366,1324 260.366,1325 66.139,1326 7.892,1327 151.75,1328 177.05,1329 22,1330 12.735,1331 4.585,1332 3.807,1333 49.28,1334 129,1335 166,1336 0.183,1337 206.055,1338 346.28,1339 494.535,1340 29700,1342 21.794,1343 0.703,1344 0.557,1345 22.148,1346 17.27,1347 15.063,1348 0.443,1349 0.304,1350 9.4,1351 13.721,1352 9.196,1353 7.624,1354 15.471,1355 10.339,1356 13.392,1357 0.285,1358 0.161,1359 14.061,1360 7.578,1361 10.922,1362 0.173,1363 0.084,1364 11.642,1365 5.286,1366 9.786,1367 0.112,1368 0.045,1369 10.699,1370 3.928,1371 7.342,1372 0.071,1373 0.025,1374 8.365,1375 2.65,1376 0.287,1377 101.023,1378 0.21,1379 29.162,1380 0.505,1381 162,1382 614.784,1383 213.039,1384 597.938,1385 804.32,1386 554,1387 191,1388 591.733,1389 237.774,1390 593.627,1391 863.97,1392 557,1393 4.961}
{0 CHEMBL1353015,1 1.795,2 9.4,3 2.1,4 4.412,5 79.139,6 8.601,8 3.701,9 3.823,10 3.374,11 3.228,12 4.767,13 3.194,14 4.29,15 4.474,16 3.761,17 3.639,18 5.337,19 3.565,20 4.631,21 4.865,22 4.029,23 3.774,24 5.778,25 3.66,26 4.564,27 4.833,28 3.658,29 3.566,30 5.665,31 3.439,32 4.348,33 4.621,34 3.415,35 3.346,36 5.544,37 3.245,38 4.138,39 4.344,40 3.42,41 3.228,42 5.402,43 3.164,44 4.071,45 4.292,46 3.317,47 3.168,48 5.254,49 3.083,50 3.986,51 4.218,52 3.14,53 3.157,54 4.999,55 3.046,56 0.09,57 0.526,58 6.503,59 3.342,60 8.79,61 4.36,62 0.279,63 0.82,64 15.035,65 5.855,66 25.871,67 8.014,68 0.705,69 0.947,70 32.98,71 8.33,72 77.943,73 11.371,74 0.644,75 0.826,76 28.799,77 7.575,78 78.41,79 10.675,80 0.534,81 0.661,82 23.581,83 5.928,84 75.74,85 8.352,86 0.478,87 0.548,88 18.628,89 4.559,90 63.641,91 5.853,92 0.443,93 0.522,94 16.98,95 4.324,96 59.149,97 5.711,98 0.321,99 0.495,100 16.578,101 4.178,102 38.205,103 5.581,104 17,105 28,106 0.333,107 0.584,108 0.736,109 0.808,110 0.836,111 0.836,112 3.056,113 1.073,114 -3.77,115 -3.74,116 -3.55,119 35.1,121 5,122 1,125 2,137 2,152 1,156 2,164 1,171 6,173 1,177 1,179 1,182 6,185 2,186 3,189 1,191 2,194 4,198 1,199 4,202 1,204 2,212 1,213 3,216 1,218 1,226 6,231 1,239 7,244 1,251 5,259 1,264 3,271 3,274 484,275 13.19,276 13.19,277 13.19,278 13.19,279 13.19,280 12.424,281 10.81,282 7.878,283 13.495,284 10.308,285 10.308,286 10.308,287 10.308,288 10.308,289 9.051,290 9.631,291 3.742,292 10.921,293 3.415,294 2.06,295 1.243,296 0.852,297 0.703,298 0.703,299 3.712,302 2,304 1,305 1,306 1,307 389,308 2.915,312 146.222,319 1.46,320 27.764,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 44.167,332 188,333 4.39,334 3.829,335 6.514,336 3.991,337 3.059,338 3.819,339 1.956,340 9.945,341 2.831,342 3.742,343 3.566,344 5.578,345 3.548,346 2.563,347 2.906,348 1.058,349 7.209,350 2.526,351 3.504,352 2.971,353 5.353,354 3.343,355 2.386,356 2.542,357 0.248,358 6.943,359 2.274,360 3.35,361 2.527,362 4.941,363 2.964,364 2.028,365 2.428,367 5.611,368 1.766,369 3.063,370 2.346,371 4.462,372 2.567,373 1.63,374 2.087,376 4.237,377 1.506,378 2.502,379 1.887,380 3.628,381 2.472,382 1.477,383 1.497,385 3.124,386 1.453,387 2,388 1.58,389 3.247,390 2,391 1,392 1,394 2.136,395 1,396 1.939,397 1.282,398 3.203,399 1.58,400 0.632,401 0.688,403 1.481,404 0.59,405 1.643,406 1.059,407 2.835,408 1.256,409 0.307,410 0.378,412 0.683,413 0.244,414 1.519,415 1,416 2.746,417 0.968,418 0.218,419 0.274,421 0.488,422 0.14,423 0.689,424 0.413,425 2.315,426 0.417,427 -0.555,428 -0.57,430 -1.291,431 -0.503,432 0.479,433 -0.23,434 1.758,435 0.298,436 -0.705,437 -0.821,439 -1.708,440 -0.642,442 -0.334,443 1.555,445 -1,446 -1,448 -2.347,449 -0.839,451 -0.753,452 1.535,453 -0.225,454 -1.177,455 -1.335,457 -2.833,458 -1,460 -0.996,461 1.375,462 -0.292,463 -1.236,464 -1.482,466 -3.08,467 -1.129,468 9.795,469 0.49,470 0.511,471 0.026,472 18.75,473 0.938,474 6,475 0.3,476 12.75,477 0.638,478 19.399,479 0.97,480 23.205,481 0.627,482 12.201,483 0.61,484 3.322,485 0.166,486 6.253,487 0.313,488 0.214,490 0.296,493 0.581,494 1.446,495 0.557,496 1.006,497 0.482,498 0.978,499 0.591,500 1.376,501 0.626,502 0.991,503 0.5,504 1.026,505 0.623,506 1.016,507 0.645,508 0.935,509 0.703,510 0.949,511 0.683,512 0.934,513 0.604,514 0.883,515 0.799,516 0.884,517 0.816,518 0.841,519 0.628,520 0.7,521 0.805,522 0.704,523 1.34,524 1.013,525 0.925,526 0.968,527 1.572,528 0.961,529 1.162,530 0.99,531 0.812,532 0.894,533 1.36,534 0.935,535 1.196,536 0.87,537 1.058,538 0.868,539 1.091,540 0.933,541 4,542 0.078,543 2.444,544 1.188,545 1.116,546 0.431,547 0.305,548 0.208,549 0.123,550 0.121,551 3849,552 12407,553 1.966,554 45.9,555 10,556 4,558 1,559 1,561 1,564 1.613,565 1.818,566 3.215,567 -0.173,568 1,569 1,571 1,573 66.402,574 1.795,575 3.15,576 3.967,577 4.358,578 4.507,579 4.507,580 2.666,581 3.684,582 4.297,583 3.357,584 637.844,585 7.314,586 6743.18,587 1,588 1,590 1,591 192.75,592 1.485,593 4.237,594 0.19,595 0.009,596 0.087,597 0.042,598 0.053,599 0.023,600 0.018,601 0.014,602 0.009,603 0.009,604 0.455,605 0.33,606 1,607 0.68,608 90.131,609 0.004,610 -0.088,611 0.01,612 -0.038,613 0.025,614 -0.016,615 0.078,616 -0.187,617 0.039,618 -0.057,619 0.077,620 -0.069,621 0.248,622 -0.035,623 0.217,624 0.003,625 0.146,626 0.021,627 0.193,628 -0.036,629 0.175,630 0.013,631 0.123,632 0.082,633 0.127,634 0.047,635 0.162,636 0.181,637 0.204,638 0.248,639 -0.116,640 -0.044,641 -0.04,642 -0.056,643 -0.132,644 -0.051,645 -0.056,646 -0.025,647 0.019,648 0.011,649 -0.092,650 -0.011,651 -0.248,652 0.128,653 -0.131,654 0.069,655 -0.182,656 0.018,657 2.216,658 4.817,659 0.6,660 14.62,661 1.018,662 1.138,663 2.543,664 6.466,665 0.668,666 3.091,667 3.367,668 3.555,669 3.664,670 3.807,671 3.638,672 3.555,673 3.497,674 3.466,675 3.434,676 5.629,677 0.631,678 318.23,679 3.091,680 4.595,681 5.407,682 6.244,683 7.072,684 7.912,685 8.747,686 9.589,687 10.427,688 11.27,689 8.1,696 2,698 1,733 37,735 4,737 21,739 38,740 13,744 4,745 2,747 2,748 2,749 2,750 1,757 5,758 1,760 5,762 5,763 8,764 1,765 2,766 4,771 2,773 1,774 1,775 4,778 1,779 1,782 17,783 5,784 1,785 7,786 2,791 3,796 1,797 2,816 2,829 1,835 2,845 2,851 2,854 20,862 7,864 1,867 1,868 1,877 2,878 5.4,881 2,885 11,886 6.436,887 4.5,888 2.432,890 0.827,891 1.135,892 0.926,893 5.726,894 6.952,895 3.258,896 3.664,897 4.007,898 4.248,899 4.543,900 4.511,901 4.466,902 4.431,903 4.369,904 4.205,905 1,906 28,907 7.439,909 3.158,910 8.011,911 14.046,913 11.466,915 2.511,916 50.222,920 188.338,921 42.342,922 37.676,923 78.297,924 50.29,927 42.342,928 316.925,929 37.676,931 37.897,933 87.519,934 16.663,936 176.567,937 78.297,938 188.338,939 80.018,940 50.29,941 78.297,943 176.567,944 62.061,947 54.56,948 9.409,949 94.346,951 188.338,952 87.965,953 120.639,956 188.338,957 33.295,958 12.049,959 18.011,960 145.25,961 188.338,962 87.965,963 120.639,965 0.577,966 0.333,967 0.159,968 0.084,969 12,970 6,971 0.105,972 4,974 1,975 3.26,976 136.789,978 12,979 82.439,985 15.645,986 7.32,987 4.379,989 87.965,997 18.011,998 396.942,999 25,1004 23.552,1006 1.264,1007 3.8,1008 -0.798,1011 37.676,1012 42.123,1013 0.345,1014 0.605,1015 0.761,1016 0.837,1017 0.865,1018 0.865,1019 4.5,1020 0.632,1021 5.38,1022 2.136,1023 4.043,1024 4.344,1025 2.286,1026 6.125,1027 3.931,1028 5.649,1029 0.307,1030 6.913,1031 1.481,1032 3.611,1033 4.111,1034 1.593,1035 6.923,1036 3.388,1037 6.926,1038 0.218,1039 8.547,1040 0.683,1041 5.58,1042 6.263,1043 3.142,1044 9.984,1045 5.366,1046 8.232,1047 -0.555,1048 10.241,1049 0.488,1050 5.943,1051 6.858,1052 3.114,1053 11.589,1054 5.599,1055 9.575,1056 -0.705,1057 11.972,1058 -1.291,1059 7.396,1060 8.515,1061 4.251,1062 14.193,1063 7.061,1064 10.939,1065 -1,1066 13.729,1067 -1.708,1068 8.132,1069 9.493,1070 4.559,1071 16.15,1072 7.671,1073 12.323,1074 -1.177,1075 15.507,1076 -2.347,1077 9.377,1078 10.966,1079 5.484,1080 18.586,1081 8.901,1082 3.059,1083 -1.236,1084 17.3,1085 -2.833,1086 10.3,1087 12.131,1088 5.961,1089 20.713,1090 9.706,1091 2.563,1092 9.945,1093 19.107,1094 -3.08,1095 11.457,1096 13.528,1097 6.772,1098 23.078,1099 10.825,1100 2.386,1101 7.209,1102 20.923,1103 3.819,1104 12.473,1105 14.782,1106 7.337,1107 25.289,1108 11.733,1109 2.028,1110 6.943,1111 22.749,1112 2.906,1113 13.596,1114 16.148,1115 8.086,1116 27.619,1117 12.799,1118 1.63,1119 5.611,1120 24.582,1121 2.542,1122 14.659,1123 17.445,1124 8.698,1125 29.873,1126 13.763,1127 1.477,1128 4.237,1129 26.421,1130 2.428,1131 15.771,1132 18.797,1133 9.413,1134 32.187,1135 14.806,1136 1,1137 3.124,1138 28.266,1139 2.087,1140 16.858,1141 20.115,1142 10.051,1143 34.462,1144 15.799,1145 3883,1146 7266,1147 13.523,1148 24.733,1149 31.497,1150 33.524,1151 31.681,1152 30.615,1153 30.599,1154 35.238,1155 6.525,1156 83.713,1157 28.659,1158 5.39,1159 5.829,1160 6.316,1161 5.027,1162 5.059,1163 6.528,1164 3.429,1165 17.096,1166 4.831,1167 10.709,1168 1.5,1169 1.596,1170 1.509,1171 1.458,1172 1.457,1173 1.678,1174 0.311,1175 3.986,1176 1.365,1177 3.913,1178 3.967,1179 4.096,1180 3.787,1181 7.433,1182 3.776,1183 3.833,1184 3.869,1185 3.758,1186 3.69,1187 7.424,1188 3.701,1189 3.546,1190 3.592,1191 3.541,1192 3.339,1193 5.003,1194 3.358,1195 3.239,1196 3.305,1197 3.366,1198 3.078,1199 4.498,1200 3.064,1201 3.111,1202 3.206,1203 3.213,1204 2.941,1205 4.381,1206 2.91,1207 2.957,1208 2.979,1209 2.979,1210 2.713,1211 4.308,1212 2.748,1213 2.874,1214 2.952,1215 2.866,1216 2.607,1217 3.979,1218 2.626,1219 2.644,1220 2.695,1221 2.761,1222 2.374,1223 3.513,1224 2.378,1225 0.209,1226 0.182,1227 0.31,1228 0.19,1229 0.146,1230 4.39,1231 0.182,1232 3.829,1233 0.093,1234 6.514,1235 0.474,1236 3.991,1237 0.135,1238 3.059,1239 3.819,1240 1.956,1241 9.945,1242 2.831,1243 1.893,1244 1.839,1245 2.114,1246 2.043,1247 1.511,1248 2.068,1249 1.723,1250 1.698,1251 1.785,1252 1.932,1253 0.993,1254 1.898,1255 1.467,1256 1.418,1257 1.651,1258 1.698,1259 0.886,1260 1.689,1261 1.236,1262 1.173,1263 1.513,1264 1.433,1265 0.825,1266 1.459,1267 1.153,1268 1.064,1269 1.462,1270 1.376,1271 0.634,1272 1.429,1273 0.832,1274 0.788,1275 1.209,1276 1.128,1277 0.439,1278 1.158,1279 0.79,1280 0.706,1281 0.917,1282 1.073,1284 1.032,1285 0.499,1286 0.46,1287 0.785,1288 0.811,1290 0.792,1291 3.761,1293 5.043,1295 6.521,1297 8.084,1299 9.692,1302 11.405,1307 6.587,1309 2.847,1312 0.547,1313 1.018,1318 23.363,1319 66.402,1320 116.537,1321 146.776,1322 161.24,1323 166.75,1324 166.75,1325 49.129,1326 6.125,1327 63.99,1328 63.99,1329 12,1330 11.834,1331 2.322,1332 2.322,1333 36.648,1334 68,1335 60,1336 0.266,1337 154.016,1338 279.18,1339 367.558,1340 3185,1341 5.4,1342 14.535,1343 0.727,1344 0.629,1345 15.535,1346 12.583,1347 9.575,1348 0.456,1349 0.358,1350 6.727,1351 8.671,1352 6.557,1353 5.412,1354 10.153,1355 7.511,1356 8.455,1357 0.302,1358 0.209,1359 9.159,1360 5.863,1361 6.961,1362 0.205,1363 0.126,1364 7.999,1365 4.297,1366 4.913,1367 0.129,1368 0.07,1369 5.368,1370 2.67,1371 3.782,1372 0.086,1373 0.042,1374 4.103,1375 1.869,1376 0.421,1377 66.441,1378 0.272,1379 20.272,1380 0.712,1381 98,1382 335.501,1383 139.324,1384 376.553,1385 473.8,1386 346,1387 111,1388 285.502,1389 152.377,1390 303.587,1391 442.05,1392 284,1393 4.303}
{0 CHEMBL1353194,1 2.085,2 8.227,3 3.4,4 11.557,5 73.252,6 10.071,7 0.522,8 3.638,9 3.703,10 3.596,11 3.192,12 4.904,13 3.193,14 4.196,15 4.308,16 3.955,17 3.473,18 6.15,19 3.525,20 4.294,21 4.423,22 3.894,23 3.545,24 5.967,25 3.576,26 4.266,27 4.42,28 3.803,29 3.548,30 5.682,31 3.546,32 4.302,33 4.46,34 4.016,35 3.538,36 5.777,37 3.543,38 4.356,39 4.492,40 3.977,41 3.391,42 6.484,43 3.46,44 4.263,45 4.452,46 3.46,47 3.106,48 5.933,49 3.179,50 3.88,51 4.093,52 3.018,53 2.703,54 5.335,55 2.736,56 0.267,57 0.707,58 4.733,59 3.702,60 53.856,61 2.918,62 1.068,63 1.37,64 14.549,65 5.502,66 184.509,67 4.799,68 0.868,69 1.114,70 9.979,71 5.237,72 109.479,73 4.782,74 0.787,75 1.173,76 10.391,77 5.877,78 109.911,79 5.041,80 0.729,81 1.313,82 17.021,83 7.084,84 129.564,85 6.607,86 1.359,87 1.242,88 15.717,89 6.649,90 254.223,91 5.802,92 1.327,93 1.08,94 18.53,95 5.955,96 212.217,97 3.782,98 0.798,99 0.579,100 12.218,101 3.746,102 128.568,103 3.282,104 59,105 35,106 0.387,107 0.669,108 0.756,109 0.799,110 0.799,111 0.799,112 3.147,113 1.019,114 -3.59,115 -3.56,116 -3.39,119 39.4,124 2,132 1,141 5,142 1,143 1,145 2,148 1,171 4,173 2,174 5,182 5,185 4,186 4,194 4,199 4,207 2,213 6,225 1,226 7,239 4,250 1,263 2,274 628,275 13.624,276 13.624,277 13.624,278 13.624,279 13.624,280 12.004,281 11.92,282 7.598,283 14.407,284 11.28,285 11.28,286 11.28,287 11.28,288 11.28,289 8.649,290 11.995,291 3.545,292 12.591,293 2.96,294 1.439,295 0.966,296 0.735,297 0.735,298 0.735,299 3.794,304 1,305 1,306 1,307 363,308 3.937,312 148.128,319 1.409,320 51.613,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 52.5,332 181,333 4.824,334 5.181,335 7.186,336 4.264,337 3.404,338 4.682,339 3.825,340 11.983,341 2.968,342 4.439,343 4.459,344 7.052,345 4.065,346 3.23,347 3.96,348 2.95,349 11.446,350 2.699,351 4.169,352 2.954,353 6.143,354 3.793,355 2.826,356 3.618,357 0.86,358 9.071,359 2.668,360 3.754,361 2.764,362 5.304,363 3.334,364 2.399,365 3.136,367 6.805,368 2.23,369 3.285,370 2.506,371 4.875,372 2.766,373 1.86,374 2.546,376 5.569,377 1.66,378 2.756,379 1.941,380 4.377,381 2.208,382 1.285,383 1.847,385 3.92,386 1.182,387 2.675,388 1.453,389 4.214,390 2.173,391 1.262,392 1.736,394 3.626,395 1.125,396 2.5,397 1,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 1.656,406 0.988,407 2.861,408 1.36,409 0.491,410 0.554,412 0.758,413 0.422,414 1,415 0.674,416 2.854,417 0.538,418 -0.405,419 -0.517,421 -0.859,422 -0.378,423 0.938,424 0.51,425 2.788,426 0.271,427 -0.644,428 -0.859,430 -2.059,431 -0.576,432 0.786,433 0.51,434 2.42,435 0.127,436 -0.8,437 -1,439 -2.235,440 -0.7,441 0.616,442 -0.122,443 2,445 -1,446 -1,448 -3,449 -0.7,450 0.5,451 -0.177,452 2,454 -1,455 -1.053,457 -3,458 -0.727,459 0.299,460 -0.451,461 2,462 -0.203,463 -1,464 -1.24,466 -3,467 -0.788,468 9.99,469 0.454,470 0.977,471 0.044,472 29.75,473 1.352,474 15.5,475 0.705,476 14.25,477 0.648,478 15.149,479 0.689,480 25.41,481 0.77,482 24.929,483 1.133,484 5.992,485 0.272,486 4.116,487 0.187,488 0.253,489 0.133,490 0.25,491 3,493 0.58,494 1.029,495 0.739,496 1.294,497 0.669,498 0.971,499 0.596,500 0.761,501 0.881,502 1.07,503 0.462,504 0.804,505 0.753,506 0.696,507 0.747,508 0.732,509 0.76,510 0.917,511 0.95,512 0.993,513 0.92,514 0.912,515 0.864,516 1.039,517 0.619,518 1.027,519 0.742,520 1.286,521 0.795,522 1.045,523 0.828,524 1.293,525 0.873,526 1.143,527 0.766,528 1.049,529 2.046,530 1.41,531 1.589,532 0.975,533 1.998,534 1.069,535 1.431,536 0.989,537 1.105,538 0.858,539 1.488,540 1.061,541 8,543 3.333,544 1.438,545 1.511,546 1.854,547 0.527,548 0.273,549 0.303,550 0.136,551 3987,552 19377,553 1.873,554 33.3,556 11,564 1.651,565 1.671,566 2.939,567 -0.583,569 1,571 1,573 68.796,574 2.085,575 3.605,576 4.079,577 4.309,578 4.309,579 4.309,580 2.407,581 2.93,582 4.429,583 3.148,584 727.203,585 7.643,586 7864.29,587 1,588 1,589 1,590 1,591 166.465,592 1.857,593 4.311,594 0.348,596 0.095,597 0.042,598 0.05,599 0.058,600 0.016,601 0.014,602 0.028,603 0.015,604 0.667,605 0.5,606 1,607 1.12,608 99.385,609 -0.002,610 -0.101,611 0.159,612 -0.101,613 -0.131,614 -0.02,615 0.299,616 0.233,617 0.073,618 -0.008,619 0.399,620 0.12,621 0.008,622 0.093,623 -0.056,624 0.081,625 -0.011,626 -0.057,627 -0.192,628 -0.07,629 -0.125,630 -0.001,631 -0.15,632 -0.099,633 0.139,634 -0.13,635 0.31,636 -0.209,637 -0.013,638 0.002,639 0.296,640 -0.221,641 0.113,642 -0.159,643 0.458,644 -0.107,645 -0.622,646 -0.061,647 -0.521,648 -0.002,649 -0.518,650 -0.143,651 -0.306,652 -0.053,653 -0.119,654 -0.024,655 -0.371,656 -0.055,657 6.024,658 4.865,659 0.545,660 16.364,661 1.064,662 1.153,663 2.358,664 5.56,665 0.679,666 3.178,667 3.584,668 3.714,669 3.871,670 4.205,671 4.317,672 4.317,673 4.248,674 4.234,675 4.111,676 5.039,677 0.687,678 332.33,679 3.178,680 4.762,681 5.587,682 6.491,683 7.349,684 8.25,685 9.121,686 10.021,687 10.898,688 11.798,689 6.1,699 2,707 5,708 2,712 5,714 12,730 1,733 33,735 14,736 1,737 23,739 34,740 13,741 10,742 2,743 4,747 2,748 2,753 1,759 1,762 10,763 3,766 2,769 1,771 2,778 1,779 1,780 3,782 11,783 8,785 9,786 1,791 2,796 1,797 3,810 1,816 2,845 2,848 1,850 2,852 3,854 22,857 1,865 1,869 1,877 3,878 9.1,881 2,883 1,885 13.167,886 6.662,887 4.611,888 1.627,890 2.4,891 1.371,892 0.957,893 4.234,894 8.866,895 3.466,896 4.143,897 4.605,898 5.134,899 5.77,900 6.086,901 6.46,902 6.673,903 6.981,904 7.184,905 1,906 34,907 9.049,909 4.808,910 8.773,911 14.267,913 11.446,915 3.273,916 72,920 129.482,921 93.896,922 33.571,924 55.313,925 44.88,926 6.046,927 87.85,928 184.795,929 78.451,930 18.073,932 53.427,933 77.884,934 69.823,935 0.693,936 129.482,937 7.76,938 129.482,939 121.421,940 100.193,941 6.046,943 129.482,944 100.193,947 13.966,948 73.884,949 39.617,951 174.362,952 88.884,953 93.896,955 6.046,956 137.242,957 14.636,958 65.455,960 133.764,961 129.482,962 133.764,963 93.896,965 0.612,966 0.322,967 0.14,968 0.092,969 17,970 9,971 0.088,972 3,974 1,975 3.155,976 170.195,978 12,979 87.353,984 1,985 16.41,986 5.676,987 3.832,989 133.764,990 6.729,991 6.79,995 -1.483,998 357.142,999 31,1002 -3.976,1004 22.967,1011 35.102,1012 38.055,1013 0.413,1014 0.715,1015 0.809,1016 0.854,1017 0.854,1018 0.854,1019 4.745,1020 1,1021 5.7,1022 3.626,1023 4.263,1024 4.828,1025 3.682,1026 6.605,1027 4.057,1028 6.049,1029 0.491,1030 7.348,1031 2.275,1032 4.369,1033 5.103,1034 3.903,1035 8.032,1036 3.935,1037 7.442,1038 -0.405,1039 9.112,1040 0.758,1041 6.075,1042 7.202,1043 5.936,1044 10.953,1045 5.626,1046 8.873,1047 -0.644,1048 10.943,1049 -0.859,1050 6.868,1051 8.179,1052 6.69,1053 13.059,1054 6.172,1055 10.33,1056 -0.8,1057 12.812,1058 -2.059,1059 8.216,1060 9.9,1061 8.407,1062 15.652,1063 7.478,1064 11.807,1065 -1,1066 14.706,1067 -2.235,1068 9.255,1069 11.169,1070 9.388,1071 17.984,1072 8.295,1073 13.298,1074 -1,1075 16.617,1076 -3,1077 10.495,1078 12.76,1079 10.957,1080 20.485,1081 9.452,1082 3.404,1083 -1,1084 18.54,1085 -3,1086 11.628,1087 14.163,1088 12.074,1089 22.898,1090 10.391,1091 3.23,1092 11.983,1093 20.472,1094 -3,1095 12.835,1096 15.707,1097 13.555,1098 25.372,1099 11.486,1100 2.826,1101 11.446,1102 22.411,1103 4.682,1104 14.007,1105 17.175,1106 14.758,1107 27.816,1108 12.484,1109 2.399,1110 9.071,1111 24.354,1112 3.96,1113 15.207,1114 18.705,1115 16.184,1116 30.283,1117 13.555,1118 1.86,1119 6.805,1120 26.301,1121 3.618,1122 16.396,1123 20.206,1124 17.441,1125 32.74,1126 14.583,1127 1.285,1128 5.569,1129 28.252,1130 3.136,1131 17.596,1132 21.735,1133 18.834,1134 35.206,1135 15.646,1136 1.262,1137 3.92,1138 30.205,1139 2.546,1140 18.793,1141 23.252,1142 20.124,1143 37.669,1144 16.691,1145 4199,1146 9434,1147 13.811,1148 22.404,1149 35.858,1150 36.685,1151 36.437,1152 35.73,1153 35.515,1154 47.159,1155 15.271,1156 110.905,1157 31.91,1158 5.518,1159 7.181,1160 6.737,1161 5.338,1162 5.404,1163 7.682,1164 6.775,1165 19.289,1166 4.968,1167 15.012,1168 1.559,1169 1.595,1170 1.584,1171 1.553,1172 1.544,1173 2.05,1174 0.664,1175 4.822,1176 1.387,1177 4.077,1178 4.074,1179 4.732,1180 4.037,1181 8.513,1182 3.963,1183 3.885,1184 3.877,1185 3.916,1186 3.843,1187 7.999,1188 3.788,1189 3.658,1190 3.665,1191 3.693,1192 3.509,1193 7.999,1194 3.502,1195 3.296,1196 3.346,1197 3.274,1198 3.008,1199 7.716,1200 3.047,1201 3.14,1202 3.211,1203 3.005,1204 2.818,1205 6.999,1206 2.85,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 4.948,1212 2.715,1213 2.764,1214 2.85,1215 2.602,1216 2.553,1217 4.785,1218 2.553,1219 2.629,1220 2.689,1221 2.42,1222 2.386,1223 4.338,1224 2.378,1225 0.21,1226 0.225,1227 0.312,1228 0.185,1229 0.148,1230 4.824,1231 0.204,1232 5.181,1233 0.166,1234 7.186,1235 0.521,1236 4.264,1237 0.129,1238 3.404,1239 4.682,1240 3.825,1241 11.983,1242 2.968,1243 1.959,1244 1.95,1245 2.021,1246 2.065,1247 1.137,1248 2.07,1249 1.792,1250 1.808,1251 1.753,1252 1.905,1253 1.017,1254 1.933,1255 1.524,1256 1.519,1257 1.586,1258 1.696,1259 0.731,1260 1.707,1261 1.194,1262 1.128,1263 1.551,1264 1.51,1265 0.568,1266 1.52,1267 0.957,1268 0.905,1269 1.181,1270 1.318,1271 0.218,1272 1.228,1273 0.886,1274 0.821,1275 1.019,1276 1.062,1277 0.112,1278 1.107,1279 0.747,1280 0.665,1281 0.86,1282 1.001,1283 0.068,1284 1.037,1285 0.54,1286 0.485,1287 0.75,1288 0.815,1290 0.814,1291 3.85,1293 5.231,1295 6.788,1297 8.415,1299 10.081,1301 2.198,1303 38.596,1310 4.952,1314 -4.774,1318 22.685,1319 68.796,1320 118.981,1321 134.591,1322 142.2,1323 142.2,1324 142.2,1325 63.008,1326 6.466,1327 69.15,1328 77.53,1329 12,1330 12.325,1331 3.907,1332 3.17,1333 41.931,1334 65,1335 80,1336 0.325,1337 143.423,1338 256.19,1339 341.711,1340 4185,1341 9.1,1342 16.544,1343 0.752,1344 0.562,1345 14.294,1346 12.365,1347 10.109,1348 0.44,1349 0.34,1350 5.91,1351 8.68,1352 5.591,1353 4.627,1354 9.792,1355 7.81,1356 10.782,1357 0.308,1358 0.181,1359 10.211,1360 6.329,1361 7.328,1362 0.183,1363 0.089,1364 7.07,1365 3.559,1366 5.23,1367 0.111,1368 0.046,1369 5.346,1370 2.174,1371 4.657,1372 0.071,1373 0.025,1374 4.77,1375 1.656,1376 0.49,1377 74.776,1378 0.269,1379 21.205,1380 0.954,1381 116,1382 623.691,1383 178.131,1384 531.379,1385 674.27,1386 484,1387 133,1388 435.904,1389 193.64,1390 453.489,1391 673.04,1392 418,1393 4.303}
{0 CHEMBL1358969,1 1.972,2 11.875,3 2.787,4 7.766,5 98.133,6 9.819,7 0.423,8 3.783,9 3.881,10 3.662,11 3.444,12 4.939,13 3.375,14 4.26,15 4.398,16 4.079,17 3.774,18 5.424,19 3.655,20 4.415,21 4.597,22 4.008,23 3.737,24 5.594,25 3.632,26 4.37,27 4.545,28 3.857,29 3.654,30 5.602,31 3.529,32 4.249,33 4.441,34 3.85,35 3.585,36 5.48,37 3.456,38 4.1,39 4.249,40 3.807,41 3.494,42 5.467,43 3.385,44 4.039,45 4.21,46 3.683,47 3.466,48 5.194,49 3.265,50 3.859,51 4.011,52 3.382,53 3.282,54 5.013,55 3.133,56 0.11,57 0.613,58 5.084,59 3.581,60 10.581,61 3.831,62 0.286,63 0.973,64 17.583,65 6.858,66 25.45,67 7.054,68 0.436,69 0.985,70 21.712,71 7.766,72 52.701,73 8.064,74 0.551,75 0.922,76 25.92,77 7.562,78 62.291,79 7.14,80 0.405,81 0.882,82 24.104,83 7.429,84 39.573,85 7.488,86 0.392,87 0.787,88 18.161,89 6.097,90 40.836,91 5.229,92 0.343,93 0.711,94 22.27,95 6.498,96 33.866,97 5.927,98 0.248,99 0.607,100 16.153,101 5.415,102 30.716,103 4.641,104 10,105 35,106 0.352,107 0.694,108 0.825,109 0.871,110 0.88,111 0.88,112 3.227,113 1.104,114 -3.81,115 -3.77,116 -3.59,119 38.5,121 2,122 1,125 2,141 4,142 1,143 1,156 2,160 2,164 1,171 7,174 4,177 3,179 3,182 7,186 4,189 1,191 4,194 4,198 1,199 3,204 4,207 2,212 2,213 5,216 1,218 2,221 3,225 1,226 6,229 1,234 2,239 2,242 1,243 1,247 6,251 2,259 2,263 1,264 5,267 1,269 2,271 3,274 846,275 16.154,276 16.154,277 16.154,278 16.154,279 16.154,280 14.471,281 18.676,282 9.631,283 16.808,284 12.821,285 12.821,286 12.821,287 12.821,288 12.821,289 10.22,290 22.638,291 4.604,292 13.973,293 3.313,294 1.398,295 0.667,296 0.41,297 0.359,298 0.359,299 3.896,302 1,304 1,305 1,306 1,307 613,308 3.674,309 52.449,311 78.13,312 95.147,319 1.969,320 27.826,323 1,324 1,325 1,326 1,327 0.5,328 1,329 1,330 0.93,331 52.333,332 285,333 4.172,334 4.461,335 6.121,336 3.911,337 2.926,338 3.775,339 3.359,340 8.928,341 2.902,342 4.162,343 3.736,344 6.023,345 3.745,346 2.801,347 3.747,348 1.907,349 8.556,350 2.621,351 3.96,352 3.569,353 5.635,354 3.536,355 2.693,356 3.15,357 1.74,358 7.819,359 2.299,360 3.64,361 3.187,362 5.069,363 3.31,364 2.335,365 2.821,366 0.558,367 6.18,368 2.209,369 3.209,370 2.713,371 4.872,372 2.847,373 1.969,374 2.361,375 0.149,376 5.628,377 1.724,378 2.915,379 2.373,380 4.212,381 2.508,382 1.536,383 2.083,385 3.881,386 1.492,387 2.845,388 2.226,389 4.187,390 2.413,391 1.445,392 1.976,394 3.761,395 1.348,396 2.799,397 2.087,398 3.604,399 2.343,400 1.414,401 1.777,403 2.984,404 1.234,405 2.226,406 1.554,407 3.311,408 1.726,409 0.827,410 1.101,412 1.924,413 0.728,414 1.909,415 1.058,416 3.224,417 1.594,418 0.684,419 0.833,421 1.619,422 0.606,423 1.671,424 0.962,425 2.864,426 1.21,427 0.352,428 0.43,430 0.797,431 0.288,432 1.078,433 0.5,434 2.667,435 0.657,436 -0.21,437 -0.247,439 -0.46,440 -0.149,441 0.997,442 0.471,443 2.188,444 0.626,445 -0.288,446 -0.324,448 -0.767,449 -0.256,450 0.664,451 0.273,452 2,453 0.449,454 -0.604,455 -0.754,457 -1.364,458 -0.611,459 0.653,460 0.046,461 2,462 0.184,463 -0.769,464 -0.986,466 -1.826,467 -0.696,468 12.148,469 0.506,470 0.558,471 0.023,472 29.25,473 1.219,474 14,475 0.583,476 15.25,477 0.635,478 20.09,479 0.837,480 25.652,481 0.658,482 18.063,483 0.753,484 5.305,485 0.221,486 6.309,487 0.263,488 0.114,490 0.288,493 0.645,494 1.036,495 0.631,496 0.758,497 0.509,498 0.785,499 0.523,500 1.285,501 0.786,502 1.107,503 0.556,504 1.059,505 1.158,506 1.056,507 0.861,508 0.911,509 1.282,510 0.905,511 1.45,512 1.026,513 1.342,514 1.116,515 1.448,516 1.103,517 0.844,518 1.025,519 1.113,520 1.134,521 0.806,522 0.909,523 1.078,524 1.071,525 1.242,526 1.267,527 1.046,528 1.015,529 1.098,530 0.909,531 1.39,532 1.221,533 1.054,534 1.147,535 1.355,536 1.161,537 1.462,538 1.361,539 1.376,540 1.102,541 5,542 0.108,543 2.278,544 1.389,545 0.902,546 0.608,547 0.316,548 0.184,549 0.163,550 0.124,551 7668,552 25854,553 2.064,554 38.5,555 4,556 8,559 2,560 1,564 1.661,565 1.946,566 3.528,567 0.42,568 1,569 1,573 76.924,574 1.972,575 3.887,576 4.619,577 4.875,578 4.926,579 4.926,580 2.924,581 4.002,582 4.558,583 3.732,584 1030.12,585 7.823,586 13165.6,587 1,588 1,590 1,591 206.131,592 1.347,593 4.522,594 0.192,595 0.006,596 0.071,597 0.046,598 0.036,599 0.023,600 0.013,601 0.01,602 0.01,603 0.007,604 0.415,605 0.33,606 1,607 0.566,608 118.201,609 -0.035,610 0.076,611 0.026,612 0.093,614 0.054,615 0.195,616 -0.214,617 0.108,618 -0.103,619 0.069,620 -0.127,621 -0.089,622 -0.112,623 0.086,624 0.034,625 -0.147,626 0.062,627 -0.229,628 -0.044,629 -0.222,630 -0.115,631 -0.205,632 -0.154,633 0.119,634 0.006,635 0.011,636 -0.023,637 0.105,638 0.103,639 0.02,640 0.061,641 -0.135,642 -0.129,643 0.083,644 -0.09,645 -0.123,646 0.16,647 -0.139,648 -0.005,649 -0.121,650 -0.133,651 -0.331,652 -0.077,653 -0.322,654 -0.13,655 -0.225,656 -0.111,657 1.779,658 4.895,659 0.583,660 24.188,661 1.022,662 1.12,663 2.584,664 6.677,665 0.735,666 3.296,667 3.584,668 3.714,669 3.85,670 3.892,671 3.871,672 3.871,673 3.892,674 3.85,675 3.784,676 7.172,677 0.689,678 382.93,679 3.296,680 4.812,681 5.631,682 6.475,683 7.307,684 8.152,685 8.989,686 9.834,687 10.673,688 11.518,689 10.3,696 2,699 2,707 4,708 2,711 1,712 4,714 11,732 1,733 39,735 13,736 1,737 26,739 41,740 15,741 8,742 2,743 4,747 3,748 3,749 1,757 2,758 1,760 2,762 10,763 5,764 1,766 2,771 2,775 2,778 1,779 1,782 15,783 6,784 2,785 9,786 3,791 4,796 1,797 2,813 1,815 1,816 1,829 2,845 3,846 1,848 2,851 1,854 24,862 4,864 2,866 1,867 1,877 1,878 5.1,881 2,885 12.333,886 6.876,887 5.306,888 2.259,890 1.932,891 1.292,892 0.972,893 6.086,894 8.552,895 3.541,896 4.056,897 4.45,898 4.875,899 5.119,900 5.118,901 5.252,902 5.33,903 5.35,904 5.352,905 0.875,906 30,907 8.875,909 3.78,910 7.921,911 16.754,913 13.713,915 2.421,916 58.111,920 153.024,921 126.073,922 69.348,923 39.149,924 50.29,926 63.497,927 62.576,928 242.463,929 69.348,931 44.096,932 37.905,933 93.025,934 7.187,936 216.522,937 39.149,938 153.024,939 131.923,940 50.29,941 102.646,943 153.024,944 50.29,947 44.597,948 54,949 72.475,950 63.497,951 153.024,952 119.637,953 165.222,956 153.024,957 88.168,958 37.905,959 36.022,960 122.765,961 153.024,962 119.637,963 165.222,965 0.578,966 0.308,967 0.15,968 0.072,969 16,970 7,971 0.171,972 7,974 1,975 3.879,976 175.992,978 14,979 108.039,981 2,985 17.648,986 8.277,987 5.707,989 119.637,990 7.38,991 7.885,994 1.273,995 2.629,997 36.022,998 437.883,999 33.5,1004 23.538,1008 -0.112,1011 39.84,1012 43.687,1013 0.373,1014 0.735,1015 0.874,1016 0.922,1017 0.932,1018 0.932,1019 4.76,1020 1.414,1021 5.595,1022 3.761,1023 4.263,1024 4.741,1025 3.557,1026 6.326,1027 4.11,1028 5.946,1029 0.827,1030 7.114,1031 2.984,1032 3.892,1033 4.511,1034 2.179,1035 7.14,1036 3.699,1037 7.23,1038 0.684,1039 8.729,1040 1.924,1041 5.814,1042 6.798,1043 5.636,1044 10.097,1045 5.546,1046 8.543,1047 0.352,1048 10.397,1049 1.619,1050 6.196,1051 7.326,1052 3.981,1053 11.668,1054 5.896,1055 9.881,1056 -0.21,1057 12.098,1058 0.797,1059 7.62,1060 9.12,1061 7.966,1062 14.151,1063 7.269,1064 11.237,1065 -0.288,1066 13.822,1067 -0.46,1068 8.343,1069 10.007,1070 6.11,1071 16.036,1072 7.968,1073 12.606,1074 -0.604,1075 15.561,1076 -0.767,1077 9.559,1078 11.583,1079 10.357,1080 18.338,1081 9.149,1082 2.926,1083 -0.769,1084 17.312,1085 -1.364,1086 10.445,1087 12.658,1088 8.545,1089 20.367,1090 10.017,1091 2.801,1092 8.928,1093 19.072,1094 -1.826,1095 11.567,1096 14.123,1097 12.764,1098 22.594,1099 11.116,1100 2.693,1101 8.556,1102 20.838,1103 3.775,1104 12.534,1105 15.301,1106 11.093,1107 24.691,1108 12.071,1109 2.335,1110 7.819,1111 22.611,1112 3.747,1113 13.615,1114 16.706,1115 15.177,1116 26.885,1117 13.135,1118 1.969,1119 6.18,1120 24.388,1121 3.15,1122 14.621,1123 17.943,1124 13.656,1125 29.017,1126 14.134,1127 1.536,1128 5.628,1129 26.168,1130 2.821,1131 15.684,1132 19.315,1133 17.59,1134 31.196,1135 15.187,1136 1.445,1137 3.881,1138 27.952,1139 2.361,1140 16.712,1141 20.586,1142 16.208,1143 33.345,1144 16.21,1145 7329,1146 13619,1147 17.394,1148 28.654,1149 38.667,1150 42.396,1151 39.013,1152 37.978,1153 37.966,1154 48.11,1155 15.427,1156 104.156,1157 34.899,1158 5.113,1159 6.461,1160 5.81,1161 5.105,1162 4.926,1163 6.775,1164 6.685,1165 15.26,1166 4.902,1167 10.889,1168 1.487,1169 1.631,1170 1.5,1171 1.461,1172 1.46,1173 1.85,1174 0.593,1175 4.006,1176 1.342,1177 3.949,1178 3.986,1179 4.301,1180 3.879,1181 7.43,1182 3.865,1183 3.913,1184 3.944,1185 4.009,1186 3.828,1187 7.426,1188 3.807,1189 3.743,1190 3.771,1191 3.804,1192 3.731,1193 5.002,1194 3.637,1195 3.554,1196 3.598,1197 3.656,1198 3.367,1199 4.931,1200 3.363,1201 3.165,1202 3.224,1203 3.308,1204 3.028,1205 4.347,1206 2.995,1207 3.072,1208 3.118,1209 3.222,1210 2.808,1211 4.215,1212 2.839,1213 2.879,1214 2.922,1215 3.012,1216 2.791,1217 4.069,1218 2.767,1219 2.666,1220 2.726,1221 2.811,1222 2.512,1223 3.8,1224 2.472,1225 0.16,1226 0.172,1227 0.235,1228 0.15,1229 0.113,1230 4.172,1231 0.145,1232 4.461,1233 0.129,1234 6.121,1235 0.343,1236 3.911,1237 0.112,1238 2.926,1239 3.775,1240 3.359,1241 8.928,1242 2.902,1243 1.905,1244 1.881,1245 2.005,1246 1.989,1247 1.154,1248 2.002,1249 1.527,1250 1.512,1251 1.648,1252 1.725,1253 0.875,1254 1.722,1255 1.471,1256 1.436,1257 1.585,1258 1.723,1259 0.854,1260 1.685,1261 1.223,1262 1.199,1263 1.513,1264 1.384,1265 0.825,1266 1.429,1267 1.153,1268 1.064,1269 1.404,1270 1.376,1271 0.65,1272 1.415,1273 1.085,1274 1.05,1275 1.173,1276 1.307,1277 0.416,1278 1.289,1279 0.979,1280 0.919,1281 1.11,1282 1.134,1283 0.172,1284 1.173,1285 0.868,1286 0.824,1287 0.884,1288 1.018,1290 1.062,1291 3.97,1292 1.946,1293 5.263,1294 3.932,1295 6.725,1296 5.82,1297 8.26,1298 7.639,1299 9.832,1302 6.044,1307 2.503,1309 5.557,1311 1.288,1312 0.126,1318 26.878,1319 76.924,1320 151.601,1321 180.131,1322 190.131,1323 192.131,1324 192.131,1325 47.583,1326 6.62,1327 83.98,1328 137.52,1329 14,1330 12.081,1331 3.807,1332 3.087,1333 39.656,1334 105,1335 81,1336 0.181,1337 177.748,1338 304.51,1339 425.465,1340 6687,1341 2.6,1342 16.941,1343 0.706,1344 0.625,1345 18.148,1346 15.009,1347 11.614,1348 0.447,1349 0.368,1350 7.484,1351 10.124,1352 7.151,1353 5.882,1354 12.765,1355 9.569,1356 10.377,1357 0.296,1358 0.226,1359 12.093,1360 7.901,1361 7.88,1362 0.197,1363 0.135,1364 9.795,1365 5.397,1366 5.927,1367 0.129,1368 0.078,1369 7.723,1370 3.589,1371 4.083,1372 0.085,1373 0.048,1374 5.671,1375 2.31,1376 0.296,1377 84.41,1378 0.24,1379 24.324,1380 0.462,1381 122,1382 411.351,1383 204.93,1384 465.742,1385 608.42,1386 432,1387 139,1388 379.341,1389 201.887,1390 419.229,1391 609.15,1392 392,1393 4.777}
{0 CHEMBL1359902,1 1.507,2 13.063,3 2.804,4 7.863,5 120.568,6 6.947,7 0.176,8 4.234,9 4.349,10 3.719,11 3.704,12 5.3,13 3.684,14 4.822,15 4.999,16 4.048,17 4.092,18 5.856,19 4.042,20 5.122,21 5.349,22 4.078,23 4.224,24 6.137,25 4.136,26 5.126,27 5.365,28 4.077,29 4.166,30 6.269,31 4.084,32 5.072,33 5.299,34 4.078,35 4.095,36 6.37,37 4.038,38 4.998,39 5.207,40 4.044,41 4.075,42 6.188,43 4.02,44 5.016,45 5.227,46 4.036,47 4.082,48 6.228,49 4.03,50 5.019,51 5.221,52 4.019,53 4.132,54 6.229,55 4.061,56 0.066,57 0.871,58 14.43,59 6.235,60 13.171,61 8.232,62 0.379,63 1.393,64 27.985,65 10.063,66 39.266,67 13.971,68 0.697,69 1.694,70 39.704,71 12.773,72 78.512,73 18.296,74 0.743,75 1.643,76 40.322,77 12.297,78 114.349,79 18.067,80 1.023,81 1.519,82 38.906,83 11.125,84 161.206,85 16.115,86 0.783,87 1.456,88 35.428,89 10.735,90 106.701,91 15.254,92 0.782,93 1.475,94 36.276,95 10.648,96 122.913,97 15.129,98 0.844,99 1.499,100 36.047,101 11.428,102 133.444,103 15.859,104 27,105 45,106 0.243,107 0.563,108 0.774,109 0.863,110 0.877,111 0.877,112 3.502,113 0.993,114 -3,115 -3,116 -2.9,119 37.5,121 7,124 1,125 3,127 2,134 2,141 3,142 1,143 2,155 1,156 2,171 8,173 1,174 8,177 1,179 4,182 8,185 2,186 6,189 1,191 3,194 5,199 6,202 2,204 3,207 3,212 4,213 9,216 1,218 2,221 3,225 2,226 10,229 1,231 2,234 2,239 9,242 2,244 1,247 3,250 2,251 7,254 1,256 1,259 7,263 2,264 6,269 1,271 9,274 2104,275 21.507,276 21.507,277 21.507,278 21.507,279 21.507,280 20.249,281 24.444,282 12.946,283 21.925,284 16.716,285 16.716,286 16.716,287 16.716,288 16.716,289 14.561,290 28.822,291 6.103,292 17.272,293 4.493,294 2.514,295 1.212,296 0.66,297 0.574,298 0.574,299 4.181,305 1,306 1,307 878,308 4.528,311 112.597,312 266.181,319 1.758,320 50.203,323 1,324 1,325 0.83,326 1,327 1,328 1,329 1,330 0.98,331 71,332 418,333 4.364,334 3.712,335 6.403,336 3.989,337 2.994,338 4.005,339 1.96,340 9.705,341 2.982,342 4.041,343 3.543,344 6.088,345 3.824,346 2.866,347 3.279,348 1.197,349 8.878,350 2.741,351 3.756,352 3.486,353 5.473,354 3.563,355 2.59,356 3.063,357 0.86,358 7.352,359 2.515,360 3.687,361 2.915,362 5.35,363 3.39,364 2.436,365 2.845,366 0.86,367 6.88,368 2.317,369 3.492,370 2.906,371 5.303,372 3.323,373 2.362,374 2.53,375 0.357,376 6.777,377 2.256,378 3.308,379 2.541,380 4.826,381 3.089,382 2.068,383 2.374,384 0.127,385 5.453,386 2.098,387 3.19,388 2.445,389 4.741,390 2.786,391 1.818,392 2.304,394 4.892,395 1.738,396 2.778,397 2.141,398 4.095,399 2.445,400 1.462,401 1.841,403 3.592,404 1.431,405 2.575,406 1.519,407 3.839,408 2.351,409 1.363,410 1.522,412 3.031,413 1.339,414 2.421,415 1.479,416 3.569,417 2.218,418 1.225,419 1.402,421 2.931,422 1.21,423 2.216,424 1.401,425 3.368,426 2,427 1,428 1.083,430 2.333,431 1,432 2.005,433 1.097,434 3.247,435 1.966,436 0.989,437 1,439 2.136,440 0.957,441 2,442 1.055,443 3,444 1.516,445 0.618,446 0.634,448 1.372,449 0.548,450 1.645,451 1,452 2.979,453 1.447,454 0.522,455 0.618,457 0.935,458 0.468,459 1.618,460 0.963,461 2.798,462 1.261,463 0.261,464 0.386,466 0.488,467 0.259,468 14.8,469 0.463,470 0.715,471 0.022,472 33.25,473 1.039,474 13,475 0.406,476 20.25,477 0.633,478 32.342,479 1.011,480 37.4,481 0.584,482 28.652,483 0.895,484 6.373,485 0.199,486 9.084,487 0.284,488 0.124,490 0.297,493 0.766,494 1.439,495 0.853,496 1.281,497 0.611,498 1.11,499 0.883,500 1.235,501 0.964,502 1.157,503 0.559,504 1.084,505 0.989,506 1.019,507 1.015,508 1.017,509 0.874,510 1.017,511 0.921,512 1.081,513 0.91,514 1.014,515 1.059,516 0.96,517 1.104,518 0.913,519 0.952,520 0.867,521 1.26,522 0.868,523 1.141,524 1.072,525 1.004,526 1.005,527 1.411,528 0.976,529 1.31,530 1.007,531 1.061,532 0.935,533 1.568,534 0.937,535 1.195,536 0.977,537 1.134,538 1.007,539 1.428,540 1.045,541 6.5,542 0.16,543 3.111,544 2.222,545 1.519,546 1,547 0.706,548 0.497,549 0.312,550 0.326,551 14299,552 36708,553 2.011,554 50,555 6,556 16,559 2,561 8,564 1.748,565 1.882,566 3.635,567 0.208,569 1,573 96.451,574 1.507,575 3.486,576 4.788,577 5.34,578 5.426,579 5.426,580 3.061,581 4.539,582 4.971,583 3.811,584 1890.14,585 8.715,586 28828.6,588 1,591 384,592 1.4,593 4.929,594 0.191,595 0.004,596 0.069,597 0.051,598 0.035,599 0.023,600 0.017,601 0.012,602 0.008,603 0.008,604 0.418,605 0.33,606 1,607 0.731,608 169.956,609 -0.047,610 -0.139,611 0.036,612 -0.057,613 -0.023,614 -0.003,615 -0.019,616 -0.075,617 -0.021,618 -0.073,619 0.051,620 -0.053,621 -0.05,622 0.016,623 -0.039,624 -0.026,625 -0.021,626 -0.031,627 0.044,628 -0.085,629 0.077,630 -0.048,631 0.047,632 0.015,633 0.084,634 0.079,635 0.075,636 0.071,637 0.124,638 0.073,639 0.009,640 -0.049,641 0.007,642 -0.027,643 -0.062,644 -0.012,645 -0.107,646 0.015,647 -0.038,648 0.026,649 -0.09,650 0.013,651 -0.051,652 0.062,653 -0.13,654 -0.009,655 -0.051,656 -0.072,657 2.178,658 5.849,659 0.531,660 34.484,661 1.007,662 1.133,663 1.772,664 3.14,665 0.627,666 3.555,667 3.829,668 4.025,669 4.205,670 4.29,671 4.277,672 4.304,673 4.277,674 4.277,675 4.357,676 7.638,677 0.597,678 444.58,679 3.555,680 5.069,681 5.883,682 6.727,683 7.555,684 8.402,685 9.235,686 10.083,687 10.919,688 11.767,689 3.1,696 2,707 3,712 3,714 6,719 1,729 1,730 1,733 64,735 10,736 1,737 34,739 66,740 24,741 6,742 3,743 3,744 4,747 3,748 3,757 9,760 9,762 11,763 13,766 4,771 3,773 2,775 3,782 32,783 8,784 2,785 8,791 2,796 1,797 6,803 1,815 1,816 2,829 1,830 1,835 2,844 1,845 3,850 1,854 32,861 1,862 10,864 1,865 2,867 2,868 1,878 9.4,880 1,881 3,882 1,883 1,885 17,886 11.317,887 7.25,888 4.057,890 1.54,891 1.22,892 0.912,893 9.274,894 8.543,895 3.738,896 4.167,897 4.577,898 4.951,899 5.323,900 5.432,901 5.56,902 5.568,903 5.725,904 5.946,905 0.889,906 44,907 12.023,909 5.143,910 7.943,911 22.738,913 18.573,915 2.443,916 78.167,920 353.133,921 107.782,922 21.135,924 140.118,927 107.782,928 493.251,929 21.135,930 10.883,931 47.681,932 47.381,933 143.661,934 19.429,936 353.133,938 353.133,939 128.917,940 140.118,943 258.964,944 223.287,945 11,947 47.681,948 62.284,949 18.952,951 353.133,952 161.253,953 107.782,956 353.133,957 49.517,958 61.389,959 18.011,960 140.118,961 353.133,962 161.253,963 107.782,965 0.57,966 0.327,967 0.17,968 0.085,969 18,970 9,971 0.136,972 9,974 1,975 4.341,976 270.747,978 17,979 156,985 24.435,986 12.145,987 7.425,989 161.253,990 4.331,995 0.26,997 60.694,998 622.168,999 41,1004 37.891,1006 2.264,1008 -1.154,1011 64.421,1012 72.481,1013 0.251,1014 0.581,1015 0.798,1016 0.89,1017 0.904,1018 0.904,1019 4.973,1020 1.462,1021 5.844,1022 4.892,1023 4.511,1024 4.852,1025 2.598,1026 6.581,1027 4.454,1028 6.114,1029 1.363,1030 7.361,1031 3.592,1032 4.007,1033 4.559,1034 1.668,1035 7.334,1036 3.938,1037 7.379,1038 1.225,1039 8.975,1040 3.031,1041 6.038,1042 6.809,1043 3.278,1044 10.385,1045 5.928,1046 8.672,1047 1,1048 10.646,1049 2.931,1050 6.347,1051 7.344,1052 3.162,1053 11.955,1054 6.221,1055 9.999,1056 0.989,1057 12.353,1058 2.333,1059 7.82,1060 9.09,1061 4.311,1062 14.505,1063 7.667,1064 11.347,1065 0.618,1066 14.087,1067 2.136,1068 8.509,1069 10.015,1070 4.591,1071 16.431,1072 8.339,1073 12.711,1074 0.522,1075 15.839,1076 1.372,1077 9.749,1078 11.566,1079 5.517,1080 18.797,1081 9.561,1082 2.994,1083 0.261,1084 17.606,1085 0.935,1086 10.625,1087 12.694,1088 5.987,1089 20.892,1090 10.423,1091 2.866,1092 9.705,1093 19.384,1094 0.488,1095 11.764,1096 14.16,1097 6.799,1098 23.186,1099 11.549,1100 2.59,1101 8.878,1102 21.172,1103 4.005,1104 12.736,1105 15.4,1106 7.363,1107 25.361,1108 12.51,1109 2.436,1110 7.352,1111 22.968,1112 3.279,1113 13.832,1114 16.825,1115 8.113,1116 27.629,1117 13.596,1118 2.362,1119 6.88,1120 24.771,1121 3.063,1122 14.853,1123 18.128,1124 8.727,1125 29.844,1126 14.609,1127 2.068,1128 6.777,1129 26.579,1130 2.845,1131 15.932,1132 19.534,1133 9.443,1134 32.103,1135 15.681,1136 1.818,1137 5.453,1138 28.393,1139 2.53,1140 16.979,1141 20.872,1142 10.083,1143 34.339,1144 16.722,1145 13943,1146 22566,1147 22.364,1148 40.159,1149 50.016,1150 52.423,1151 50.861,1152 49.126,1153 49.147,1154 57.772,1155 10.722,1156 133.509,1157 47.718,1158 5.364,1159 5.712,1160 6.205,1161 5.047,1162 4.994,1163 7.005,1164 3.435,1165 16.348,1166 4.982,1167 16.682,1168 1.471,1169 1.542,1170 1.496,1171 1.445,1172 1.446,1173 1.699,1174 0.315,1175 3.927,1176 1.403,1177 3.971,1178 3.999,1179 3.921,1180 3.874,1181 7.437,1182 3.882,1183 3.892,1184 3.931,1185 3.795,1186 3.76,1187 7.426,1188 3.754,1189 3.834,1190 3.881,1191 3.709,1192 3.674,1193 7.422,1194 3.678,1195 3.677,1196 3.714,1197 3.588,1198 3.511,1199 6.468,1200 3.524,1201 3.513,1202 3.545,1203 3.428,1204 3.319,1205 4.798,1206 3.339,1207 3.309,1208 3.359,1209 3.218,1210 3.064,1211 4.637,1212 3.087,1213 3.202,1214 3.278,1215 3.022,1216 2.962,1217 4.324,1218 2.964,1219 3.111,1220 3.206,1221 2.866,1222 2.941,1223 4.281,1224 2.91,1225 0.128,1226 0.109,1227 0.188,1228 0.117,1229 0.088,1230 4.364,1231 0.118,1232 3.712,1233 0.058,1234 6.403,1235 0.285,1236 3.989,1237 0.088,1238 2.994,1239 4.005,1240 1.96,1241 9.705,1242 2.982,1243 1.902,1244 1.891,1245 2.094,1246 2.039,1247 1.476,1248 2.057,1249 1.873,1250 1.817,1251 1.983,1252 2.007,1253 1.273,1254 1.998,1255 1.71,1256 1.665,1257 1.905,1258 1.914,1259 1.077,1260 1.907,1261 1.565,1262 1.517,1263 1.784,1264 1.739,1265 1.03,1266 1.766,1267 1.457,1268 1.414,1269 1.651,1270 1.665,1271 0.846,1272 1.657,1273 1.355,1274 1.307,1275 1.594,1276 1.629,1277 0.825,1278 1.617,1279 1.199,1280 1.141,1281 1.555,1282 1.505,1283 0.761,1284 1.517,1285 1.153,1286 1.064,1287 1.513,1288 1.376,1289 0.657,1290 1.429,1291 4.234,1293 5.517,1294 2.398,1295 6.976,1296 4.443,1297 8.514,1298 6.26,1299 10.094,1301 1.46,1306 10.032,1307 7.938,1309 3.029,1310 10.65,1312 0.044,1313 1.422,1318 38.234,1319 96.451,1320 223.133,1321 306.432,1322 341.735,1323 347.245,1324 347.245,1325 101.705,1326 7.003,1327 105.17,1328 105.17,1329 17,1330 12.329,1331 3.459,1332 3,1333 60.976,1334 141,1335 162,1336 0.197,1337 235.881,1338 432.04,1339 567.309,1340 9755,1342 22.924,1343 0.716,1344 0.58,1345 22.924,1346 18.548,1347 15.457,1348 0.455,1349 0.331,1350 11.072,1351 14.733,1352 10.863,1353 8.976,1354 15.457,1355 11.253,1356 13.487,1357 0.3,1358 0.185,1359 13.487,1360 8.337,1361 10.811,1362 0.197,1363 0.107,1364 10.811,1365 5.912,1366 8.563,1367 0.13,1368 0.063,1369 8.563,1370 4.149,1371 6.087,1372 0.085,1373 0.036,1374 6.087,1375 2.586,1376 0.313,1377 98.057,1378 0.211,1379 30.265,1380 0.53,1381 158,1382 518.805,1383 177.526,1384 479.438,1385 624.73,1386 446,1387 179,1388 425.819,1389 197.589,1390 424.918,1391 614.59,1392 398,1393 4.667}
{0 CHEMBL1360031,1 1.604,2 10.708,3 5.31,4 28.195,5 103.492,6 11.204,7 0.63,8 3.804,9 3.898,10 3.741,11 3.484,12 4.838,13 3.434,14 4.346,15 4.487,16 4.197,17 3.896,18 5.351,19 3.824,20 4.591,21 4.774,22 4.34,23 4.057,24 5.551,25 3.938,26 4.544,27 4.744,28 4.708,29 4.043,30 5.471,31 3.874,32 4.518,33 4.748,34 4.062,35 3.895,36 5.385,37 3.718,38 4.346,39 4.585,40 3.812,41 3.68,42 5.182,43 3.506,44 4.057,45 4.262,46 3.743,47 3.486,48 4.95,49 3.338,50 3.923,51 4.108,52 3.696,53 3.396,54 4.859,55 3.252,56 0.004,57 0.503,58 1.892,59 3.314,60 4.047,61 4.155,62 0.136,63 0.887,64 8.219,65 6.19,66 13.454,67 7.034,68 0.297,69 1.131,70 30.248,71 9.267,72 23.037,73 10.454,74 0.144,75 1.076,76 47.25,77 9.532,78 20.081,79 11.239,80 0.156,81 1.006,82 35.028,83 10.005,84 23.36,85 12.379,86 0.164,87 0.846,88 28.626,89 8.563,90 19.349,91 10.5,92 0.112,93 0.633,94 21.002,95 6.112,96 12.691,97 7.08,98 0.086,99 0.581,100 16.008,101 4.884,102 11.401,103 5.52,104 5,105 38,106 0.282,107 0.584,108 0.716,109 0.813,110 0.813,111 0.813,112 3.228,113 1.053,114 -5.32,115 -5.2,116 -4.87,117 2,119 47.5,125 4,141 8,142 2,143 3,145 2,171 7,174 5,182 11,185 1,186 8,194 9,199 3,207 10,213 3,221 10,225 1,226 3,234 8,239 2,247 7,251 1,259 2,263 1,264 4,271 2,274 754,275 16.447,276 16.447,277 16.447,278 16.447,279 16.447,280 14.474,281 13.743,282 9.69,283 17.064,284 13.347,285 13.347,286 13.347,287 13.347,288 13.347,289 10.367,290 16.889,291 4.622,292 14.446,293 3.718,294 2,295 1.25,296 0.7,297 0.7,298 0.7,299 3.931,305 1,306 1,307 569,308 2,312 269.685,316 103.611,319 1.733,320 13.308,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 49.5,332 257,333 4.56,334 3.288,335 6.525,336 4.061,337 3.107,338 4.505,339 0.86,340 10.265,341 2.961,342 4.208,343 3.125,344 6.175,345 3.841,346 2.887,347 3.817,348 0.8,349 9.146,350 2.752,351 3.925,352 2.812,353 6.043,354 3.622,355 2.67,356 3.309,358 8.719,359 2.53,360 3.516,361 2.64,362 5.065,363 3.011,364 2.129,365 2.888,367 5.954,368 1.839,369 3.423,370 2.344,371 5.018,372 2.893,373 2,374 2.811,376 5.794,377 1.726,378 3.132,379 2.254,380 4.59,381 2.818,382 1.885,383 2.292,385 4.853,386 1.655,387 2.801,388 1.725,389 4.256,390 2.404,391 1.468,392 1.878,394 3.864,395 1.359,396 2.5,397 1.288,398 3.708,399 2,400 1.079,401 1.5,403 2.634,404 1,405 2.448,406 1.256,407 3.494,408 1.99,409 1,410 1.425,412 2.565,413 0.97,414 2.228,415 1.208,416 3.414,417 1.952,418 1,419 1.206,421 2.275,422 0.946,423 2,424 1,425 3.247,426 1.889,427 1,428 1,430 2.136,431 0.813,432 1.43,433 0.326,434 2.828,435 0.944,436 0.058,437 0.076,439 0.146,440 0.042,441 0.994,442 0.222,443 2.63,444 0.568,445 -0.362,446 -0.443,448 -0.888,449 -0.231,450 0.911,451 -0.19,452 2.491,453 0.432,454 -0.459,455 -0.584,457 -1.17,458 -0.321,459 0.569,460 -0.36,461 2.303,462 0.121,463 -0.804,464 -0.92,466 -1.89,467 -0.624,468 13.3,469 0.554,470 0.554,471 0.023,472 31.75,473 1.323,474 16.5,475 0.688,476 15.25,477 0.635,478 21.662,479 0.903,480 23.3,481 0.583,482 17.903,483 0.746,484 5.763,485 0.24,486 5.941,487 0.248,488 0.201,490 0.293,493 0.762,494 1.177,495 0.456,496 0.712,497 0.751,498 0.773,499 1.364,500 1.042,501 0.543,502 0.648,503 1.03,504 0.762,505 1.138,506 0.949,507 0.864,508 0.847,509 0.987,510 0.895,511 0.637,512 1.007,513 0.546,514 0.768,515 0.834,516 0.959,517 0.574,518 0.965,519 0.791,520 0.954,521 0.794,522 1.005,523 0.77,524 0.844,525 0.684,526 0.826,527 0.773,528 0.907,529 1.033,530 0.996,531 0.904,532 0.9,533 0.982,534 0.922,535 1.04,536 1.146,537 1.055,538 1.035,539 1.29,540 1.075,541 4.5,542 0.091,543 2.889,544 1.375,545 1.151,546 0.785,547 0.502,548 0.193,549 0.176,550 0.143,551 6973,552 20655,553 2.161,554 40,556 16,564 1.664,565 2.057,566 3.375,567 -0.782,573 64.167,574 1.604,575 3.322,576 4.072,577 4.622,578 4.622,579 4.622,580 2.892,581 3.605,582 4.556,583 3.514,584 969.804,585 7.837,586 11323.9,591 212.877,592 1.281,593 4.532,594 0.167,595 0.006,596 0.076,597 0.035,598 0.035,599 0.029,600 0.023,601 0.01,602 0.01,603 0.009,604 0.4,605 0.67,606 1,607 0.49,608 114.5,609 -0.004,610 -0.162,611 0.001,612 -0.039,613 -0.04,614 -0.006,615 -0.206,616 0.016,617 0.008,618 0.099,619 -0.076,620 0.049,621 -0.087,622 0.101,623 -0.043,624 0.039,625 -0.008,626 0.01,627 0.01,628 -0.006,629 0.218,630 0.113,631 0.012,632 -0.008,633 0.085,634 -0.031,635 0.003,636 -0.016,637 0.069,638 0.021,639 0.079,640 0.08,641 0.029,642 0.101,643 0.136,644 0.125,645 -0.077,646 -0.031,647 -0.023,648 0.051,649 -0.035,650 0.062,651 -0.162,652 -0.089,653 -0.081,654 -0.098,655 -0.299,656 -0.149,657 0.697,658 1.915,659 0.917,660 21.486,661 1.001,662 1.105,663 4.088,664 16.715,665 0.757,666 3.332,667 3.664,668 3.951,669 4.22,670 4.477,671 4.533,672 4.673,673 4.771,674 4.905,675 4.977,676 6.137,677 0.701,678 448.17,679 3.332,680 4.875,681 5.733,682 6.613,683 7.485,684 8.369,685 9.246,686 10.131,687 11.011,688 11.898,689 5,695 1,699 1,706 2,707 8,708 1,712 5,714 17,727 1,732 2,733 40,735 17,736 2,737 27,738 2,739 43,740 19,741 15,742 6,743 6,747 4,748 5,762 15,763 4,782 16,783 3,785 5,786 2,791 2,796 0.75,797 1,809 1,816 4,820 1,844 1,845 3,849 2,854 24,862 4,865 1,868 1,877 2,878 2.5,882 1,885 11.667,886 7.269,887 5.194,888 2.442,890 3.43,891 1.46,892 1.035,893 4.683,894 10.894,895 3.597,896 4.234,897 4.866,898 5.49,899 6.115,900 6.473,901 6.937,902 7.379,903 7.845,904 8.13,905 1,906 39,907 8.849,909 3.741,910 7.486,911 17.37,913 14.514,915 1.986,916 47.667,920 188.338,921 108.733,922 111.818,924 11,927 200.641,928 199.338,929 19.91,931 13.396,932 75.81,933 27.785,934 22.651,936 188.338,937 91.908,938 188.338,939 128.642,940 11,942 91.908,943 188.338,945 11,947 18.297,948 93.56,949 16.786,950 91.908,951 188.338,952 30.91,953 200.641,956 188.338,957 32.923,958 78.934,959 91.908,960 27.785,961 188.338,962 30.91,963 200.641,965 0.584,966 0.343,967 0.189,968 0.104,969 20,970 8,971 0.047,972 2,973 1,974 1.091,975 3.7,976 199.481,977 0.091,978 22,979 102.039,985 16.222,986 6.928,987 3.432,988 2.095,989 30.91,990 16.927,991 4.827,995 5.403,998 419.888,999 35.5,1011 40.058,1012 44.211,1013 0.301,1014 0.624,1015 0.765,1016 0.868,1017 0.868,1018 0.868,1019 4.83,1020 1.079,1021 5.714,1022 3.864,1023 4.344,1024 4.92,1025 1.235,1026 6.521,1027 4.201,1028 6.039,1029 1,1030 7.268,1031 2.634,1032 3.892,1033 4.745,1034 0.325,1035 7.391,1036 3.616,1037 7.349,1038 1,1039 8.92,1040 2.565,1041 5.932,1042 7.174,1043 0.938,1044 10.489,1045 5.696,1046 8.696,1047 1,1048 10.632,1049 2.275,1050 6.293,1051 7.833,1052 0.268,1053 12.179,1054 5.958,1055 10.076,1056 0.058,1057 12.38,1058 2.136,1059 7.798,1060 9.736,1061 0.732,1062 14.774,1063 7.477,1064 11.479,1065 -0.362,1066 14.154,1067 0.146,1068 8.545,1069 10.804,1070 0.188,1071 16.802,1072 8.147,1073 12.9,1074 -0.459,1075 15.946,1076 -0.888,1077 9.819,1078 12.477,1079 0.57,1080 19.214,1081 9.414,1082 3.107,1083 -0.804,1084 17.75,1085 -1.17,1086 10.754,1087 13.757,1088 0.125,1089 21.389,1090 10.283,1091 2.887,1092 10.265,1093 19.565,1094 -1.89,1095 11.928,1096 15.327,1097 0.438,1098 23.73,1099 11.434,1100 2.67,1101 9.146,1102 21.387,1103 4.505,1104 12.954,1105 16.715,1106 0.082,1107 25.973,1108 12.402,1109 2.129,1110 8.719,1111 23.215,1112 3.817,1113 14.088,1114 18.241,1115 0.334,1116 28.288,1117 13.501,1118 2,1119 5.954,1120 25.048,1121 3.309,1122 15.157,1123 19.684,1124 0.054,1125 30.563,1126 14.517,1127 1.885,1128 5.794,1129 26.884,1130 2.888,1131 16.275,1132 21.192,1133 0.252,1134 32.871,1135 15.595,1136 1.468,1137 4.853,1138 28.724,1139 2.811,1140 17.366,1141 22.663,1142 0.035,1143 35.163,1144 16.635,1145 6508,1146 11361,1147 18.493,1148 30.262,1149 40.783,1150 41.319,1151 41.172,1152 40.895,1153 40.564,1154 53.414,1155 3.32,1156 116.701,1157 37.189,1158 5.56,1159 5.288,1160 6.327,1161 5.164,1162 5.107,1163 7.505,1164 1.72,1165 17.16,1166 4.961,1167 8.819,1168 1.51,1169 1.53,1170 1.525,1171 1.515,1172 1.502,1173 1.978,1174 0.123,1175 4.322,1176 1.377,1177 4.095,1178 4.117,1179 6.893,1180 4.053,1181 4.998,1182 4.043,1183 3.912,1184 3.946,1185 6.867,1186 3.842,1187 4.729,1188 3.835,1189 3.684,1190 3.726,1191 3.998,1192 3.511,1193 4.58,1194 3.516,1195 3.408,1196 3.437,1197 3.809,1198 3.354,1199 4.337,1200 3.329,1201 3.111,1202 3.206,1203 3.554,1204 3.017,1205 3.992,1206 2.946,1207 3.022,1208 3.058,1209 3.183,1210 2.941,1211 3.805,1212 2.91,1213 2.895,1214 2.937,1215 2.866,1216 2.812,1217 3.674,1218 2.783,1219 2.854,1220 2.925,1221 2.85,1222 2.735,1223 3.538,1224 2.715,1225 0.169,1226 0.122,1227 0.242,1228 0.15,1229 0.115,1230 4.56,1231 0.167,1232 3.288,1233 0.032,1234 6.525,1235 0.38,1236 4.061,1237 0.11,1238 3.107,1239 4.505,1240 0.86,1241 10.265,1242 2.961,1243 2.051,1244 2.034,1245 2.096,1246 2.12,1247 1.262,1248 2.121,1249 1.89,1250 1.863,1251 1.986,1252 2.009,1253 1.211,1254 2.009,1255 1.638,1256 1.588,1257 1.84,1258 1.824,1259 1.027,1260 1.834,1261 1.397,1262 1.368,1263 1.513,1264 1.485,1265 0.825,1266 1.51,1267 1.153,1268 1.064,1269 1.495,1270 1.376,1271 0.631,1272 1.429,1273 0.984,1274 0.954,1275 1.181,1276 1.144,1277 0.292,1278 1.147,1279 0.886,1280 0.821,1281 1.129,1282 1.062,1283 0.218,1284 1.107,1285 0.828,1286 0.8,1287 1.028,1288 1.04,1289 0.175,1290 1.051,1291 4.007,1293 5.333,1295 6.868,1297 8.494,1299 10.166,1300 7.128,1307 3.514,1310 5.415,1313 2.356,1318 28.022,1319 64.167,1320 132.877,1321 162.877,1322 184.877,1323 184.877,1324 184.877,1325 27.21,1326 7.464,1327 25.36,1328 25.36,1329 24,1330 12.43,1331 4.17,1332 3.248,1333 34.069,1334 89,1335 84,1336 0.19,1337 181.445,1338 303.35,1339 434.485,1340 17515,1341 5,1342 16.518,1343 0.688,1344 0.674,1345 18.518,1346 16.178,1347 11.704,1348 0.433,1349 0.351,1350 7.909,1351 10.286,1352 7.652,1353 6.239,1354 12.858,1355 9.481,1356 10.624,1357 0.28,1358 0.199,1359 12.182,1360 7.572,1361 9.098,1362 0.178,1363 0.104,1364 10.234,1365 5.312,1366 7.836,1367 0.117,1368 0.065,1369 9.557,1370 4.33,1371 6.413,1372 0.074,1373 0.03,1374 7.326,1375 2.619,1376 0.3,1377 88.947,1378 0.233,1379 23.547,1380 0.516,1381 130,1382 344.335,1383 269.088,1384 409.231,1385 547.43,1386 384,1387 154,1388 351.737,1389 225.219,1390 383.902,1391 566.41,1392 363,1393 5.626}
{0 CHEMBL1361740,1 1.982,2 9.478,3 2.574,4 6.624,5 91.902,6 9.763,7 0.6,8 3.74,9 3.851,10 3.623,11 3.287,12 4.988,13 3.248,14 4.228,15 4.397,16 4.118,17 3.643,18 5.53,19 3.6,20 4.258,21 4.429,22 4.023,23 3.658,24 5.461,25 3.594,26 4.359,27 4.539,28 3.908,29 3.634,30 5.629,31 3.589,32 4.271,33 4.443,34 3.944,35 3.641,36 5.414,37 3.567,38 4.389,39 4.635,40 3.638,41 3.611,42 5.387,43 3.474,44 4.268,45 4.514,46 3.504,47 3.426,48 5.382,49 3.258,50 4.04,51 4.282,52 3.448,53 3.209,54 5.281,55 3.083,56 0.204,57 0.661,58 4.718,59 3.168,60 4.671,61 3.269,62 0.423,63 1.018,64 17.43,65 5.26,66 44.717,67 5.404,68 0.387,69 1.004,70 15.252,71 5.659,72 18.553,73 5.497,74 0.542,75 1.051,76 17.974,77 5.502,78 44.355,79 5.62,80 0.331,81 1.018,82 12.544,83 5.36,84 16.389,85 5.781,86 0.512,87 0.99,88 22.496,89 6.632,90 33.629,91 7.391,92 0.506,93 0.807,94 19.249,95 6.441,96 36.363,97 7.911,98 0.419,99 0.636,100 24.773,101 6.252,102 37.771,103 6.62,104 30,105 36,106 0.356,107 0.708,108 0.837,109 0.837,110 0.837,111 0.837,112 3.188,113 1.002,114 -3.78,115 -3.75,116 -3.56,119 33.3,120 2,124 1,125 1,141 1,144 1,145 1,150 1,151 1,159 1,160 2,164 4,173 3,174 9,182 2,185 3,186 7,198 7,199 4,207 1,212 2,213 8,221 2,225 2,226 3,238 6,239 2,247 3,250 3,251 1,263 1,264 3,271 2,274 684,275 15.248,276 15.248,277 15.248,278 15.248,279 15.248,280 13.092,281 17.161,282 8.713,283 16.073,284 12.244,285 12.244,286 12.244,287 12.244,288 12.244,289 8.961,290 15.147,291 4.03,292 13.645,293 3.188,294 1.224,295 0.507,296 0.507,297 0.507,298 0.507,299 3.86,304 1,305 1,306 1,307 460,308 3,311 197.567,319 1.588,320 24.537,322 1,323 1,324 0.83,325 1,326 0.6,328 0.83,329 1,330 0.75,331 51.5,332 218,333 4.566,334 4.575,335 6.774,336 4.137,337 3.207,338 4.294,339 2.95,340 11.076,341 2.997,342 4.31,343 3.78,344 6.118,345 3.744,346 2.877,347 4.018,348 2.612,349 8.923,350 2.515,351 4.134,352 3.31,353 5.985,354 3.641,355 2.73,356 3.76,358 8.465,359 2.473,360 3.682,361 3.051,362 5.337,363 3.095,364 2.232,365 3.122,367 6.664,368 1.91,369 3.305,370 2.451,371 5.021,372 2.88,373 1.946,374 2.557,376 5.672,377 1.79,378 3.04,379 2.103,380 4.739,381 2.651,382 1.726,383 2.187,385 4.943,386 1.585,387 2.713,388 1.965,389 4.162,390 2.129,391 1.207,392 1.726,394 3.164,395 1.105,396 2.566,397 1.445,398 3.769,399 2.051,400 1.114,401 1.59,403 2.676,404 1.03,405 2.364,406 1.138,407 3.662,408 1.847,409 0.919,410 1.302,412 2.509,413 0.843,414 2.174,415 1,416 3.253,417 1.487,418 0.659,419 0.998,421 1.607,422 0.536,423 1.506,424 0.795,425 2.894,426 1.322,427 0.336,428 0.384,430 0.503,431 0.331,432 1.189,433 0.486,434 2.704,435 0.826,436 -0.038,437 -0.046,439 -0.1,440 -0.032,441 1,442 0.377,443 2.308,444 0.265,445 -0.639,446 -0.763,448 -1.675,449 -0.556,450 0.6,451 0.208,452 2,453 0.166,454 -0.769,455 -0.888,457 -1.79,458 -0.739,459 0.442,460 -0.384,461 2,463 -1,464 -1.258,466 -2,467 -0.981,468 11.133,469 0.484,470 0.682,471 0.03,472 31.25,473 1.359,474 15.5,475 0.674,476 15.75,477 0.685,478 18.322,479 0.797,480 24.867,481 0.691,482 20.679,483 0.899,484 5.906,485 0.257,486 5.084,487 0.221,488 0.195,490 0.377,493 0.454,494 1.257,495 0.66,496 0.874,497 0.489,498 0.893,499 0.633,500 1.23,501 0.55,502 0.815,503 0.374,504 0.644,505 0.834,506 1.058,507 0.889,508 0.982,509 0.623,510 0.853,511 0.955,512 1.018,513 1.1,514 1.06,515 0.829,516 1.045,517 0.644,518 1.375,519 0.817,520 1.147,521 0.399,522 1.189,523 0.866,524 0.781,525 1.119,526 0.918,527 0.493,528 1.027,529 0.432,530 0.86,531 0.893,532 0.987,533 0.513,534 1.166,535 0.756,536 0.867,537 1.295,538 1.224,539 0.755,540 0.758,541 5.5,542 0.123,543 2.889,544 2.236,545 1.425,546 0.733,547 0.467,548 0.25,549 0.206,550 0.125,551 5434,552 20109,553 2.016,554 36.1,556 6,558 1,560 3,561 3,564 1.656,565 1.84,566 3.221,567 -0.515,568 1,569 1,571 1,573 71.341,574 1.982,575 3.946,576 4.663,577 4.663,578 4.663,579 4.663,580 2.719,581 4.263,582 4.494,583 3.402,584 860.644,585 7.733,586 9759.5,587 1,588 1,590 1,591 186.117,592 1.538,593 4.428,594 0.22,595 0.011,596 0.08,597 0.068,598 0.045,599 0.024,600 0.02,601 0.014,602 0.011,603 0.009,604 0.502,605 0.33,606 1,607 0.982,608 107.586,609 0.233,610 -0.088,611 0.071,612 0.032,613 0.013,614 -0.045,615 0.176,616 -0.157,617 0.414,618 0.182,619 0.265,620 0.295,621 -0.038,622 0.033,623 0.108,624 0.047,625 0.004,626 0.088,627 -0.035,628 0.044,629 -0.193,630 -0.138,631 -0.028,632 -0.161,633 0.017,634 -0.313,635 0.036,636 -0.222,637 0.023,638 -0.255,639 -0.142,640 0.171,641 -0.121,642 0.039,643 -0.035,644 0.004,645 0.363,646 -0.004,647 0.095,648 -0.036,649 0.155,650 -0.074,651 0.238,652 0.014,653 0.125,654 0.056,655 0.274,656 0.429,657 2.452,658 3.719,659 0.652,660 19.009,661 1.033,662 1.139,663 2.554,664 6.525,665 0.709,666 3.258,667 3.611,668 3.892,669 4.159,670 4.234,671 4.304,672 4.369,673 4.466,674 4.489,675 4.511,676 5.773,677 0.682,678 351.46,679 3.258,680 4.812,681 5.673,682 6.567,683 7.448,684 8.344,685 9.232,686 10.128,687 11.02,688 11.917,689 19.4,697 2,699 4,700 1,707 2,708 4,711 1,712 6,713 2,714 15,726 1,733 36,735 17,737 25,739 38,740 12,741 8,747 3,748 3,753 2,762 8,763 4,766 2,768 1,771 2,778 1,779 1,782 13,783 6,785 11,786 2,791 7,796 1,797 2,807 1,815 3,845 3,846 1,848 2,850 3,854 23,862 1,866 1,872 1,875 1,878 5.6,884 2,885 12.5,886 7.733,887 5.056,888 2.142,890 2.853,891 1.414,892 0.963,893 4.572,894 9.752,895 3.57,896 4.23,897 4.805,898 5.391,899 5.651,900 6.005,901 6.324,902 6.707,903 7.007,904 7.293,905 1,906 33,907 8.422,909 3.541,910 7.986,911 15.663,913 12.398,915 2.486,916 57.167,920 153.024,921 119.637,922 76.12,924 50.747,926 63.497,927 56.14,928 203.771,929 76.12,930 31.717,931 2.106,932 9.476,933 80.874,934 17.102,935 2.757,936 204.75,937 50.747,938 153.024,939 132.26,940 50.747,941 63.497,943 117.711,944 35.313,945 50.747,947 39.187,948 20.629,949 72.445,950 63.497,951 153.024,952 126.867,953 119.637,956 153.024,957 75.067,958 53.916,960 117.521,961 153.024,962 126.867,963 119.637,965 0.59,966 0.353,967 0.189,968 0.095,969 18,970 9,971 0.132,972 5,974 1,975 3.464,976 183.014,978 15,979 102.042,981 2,985 16.242,986 6.474,987 3.199,989 117.521,990 3.204,991 16.819,994 1.015,995 3.673,996 3.697,998 399.529,999 34.5,1001 -0.452,1004 21.439,1011 37.171,1012 40.993,1013 0.383,1014 0.763,1015 0.902,1016 0.902,1017 0.902,1018 0.902,1019 4.81,1020 1.114,1021 5.687,1022 3.164,1023 4.29,1024 4.916,1025 3.388,1026 6.529,1027 4.091,1028 6.056,1029 0.919,1030 7.273,1031 2.676,1032 4.007,1033 4.89,1034 2.361,1035 7.486,1036 3.717,1037 7.391,1038 0.659,1039 8.955,1040 2.509,1041 5.922,1042 7.179,1043 5.372,1044 10.584,1045 5.532,1046 8.765,1047 0.336,1048 10.691,1049 1.607,1050 6.447,1051 7.979,1052 4.506,1053 12.36,1054 5.974,1055 10.167,1056 -0.038,1057 12.462,1058 0.503,1059 7.854,1060 9.727,1061 7.439,1062 14.982,1063 7.298,1064 11.59,1065 -0.639,1066 14.258,1067 -0.1,1068 8.721,1069 10.878,1070 6.556,1071 17.097,1072 8.092,1073 13.029,1074 -0.769,1075 16.071,1076 -1.675,1077 9.947,1078 12.425,1079 9.539,1080 19.563,1081 9.244,1082 3.207,1083 -1,1084 17.899,1085 -1.79,1086 10.964,1087 13.729,1088 8.548,1089 21.829,1090 10.193,1091 2.877,1092 11.076,1093 19.738,1094 -2,1095 12.126,1096 15.199,1097 11.658,1098 24.244,1099 11.288,1100 2.73,1101 8.923,1102 21.586,1103 4.294,1104 13.208,1105 16.572,1106 10.509,1107 26.577,1108 12.307,1109 2.232,1110 8.465,1111 23.442,1112 4.018,1113 14.35,1114 18.014,1115 13.789,1116 28.977,1117 13.385,1118 1.946,1119 6.664,1120 25.304,1121 3.76,1122 15.464,1123 19.418,1124 12.452,1125 31.344,1126 14.438,1127 1.726,1128 5.672,1129 27.172,1130 3.122,1131 16.602,1132 20.851,1133 15.928,1134 33.741,1135 15.516,1136 1.207,1137 4.943,1138 29.045,1139 2.557,1140 17.732,1141 22.271,1142 14.386,1143 36.124,1144 16.585,1145 5395,1146 10650,1147 16.126,1148 25.529,1149 38.363,1150 40.888,1151 40.067,1152 37.993,1153 37.904,1154 51.875,1155 11.125,1156 112.402,1157 34.229,1158 5.352,1159 6.575,1160 6.298,1161 5.365,1162 5.207,1163 7.052,1164 5.9,1165 18.501,1166 4.92,1167 13.549,1168 1.535,1169 1.636,1170 1.603,1171 1.52,1172 1.516,1173 2.075,1174 0.445,1175 4.496,1176 1.369,1177 4.051,1178 4.109,1179 4.348,1180 3.906,1181 7.815,1182 3.893,1183 3.913,1184 3.93,1185 4.024,1186 3.804,1187 6.999,1188 3.766,1189 3.739,1190 3.811,1191 3.791,1192 3.505,1193 5.099,1194 3.528,1195 3.385,1196 3.472,1197 3.491,1198 3.219,1199 4.839,1200 3.195,1201 3.348,1202 3.364,1203 3.171,1204 2.948,1205 4.759,1206 3.001,1207 3.022,1208 3.136,1209 3.071,1210 2.8,1211 4.007,1212 2.779,1213 2.941,1214 3.053,1215 2.771,1216 2.674,1217 3.921,1218 2.673,1219 2.517,1220 2.608,1221 2.649,1222 2.42,1223 3.663,1224 2.374,1225 0.183,1226 0.183,1227 0.271,1228 0.165,1229 0.128,1230 4.566,1231 0.172,1232 4.575,1233 0.118,1234 6.774,1235 0.443,1236 4.137,1237 0.12,1238 3.207,1239 4.294,1240 2.95,1241 11.076,1242 2.997,1243 1.703,1244 1.652,1245 1.872,1246 1.922,1247 1.061,1248 1.904,1249 1.562,1250 1.523,1251 1.788,1252 1.913,1253 0.902,1254 1.797,1255 1.53,1256 1.488,1257 1.704,1258 1.781,1259 0.802,1260 1.786,1261 1.473,1262 1.416,1263 1.529,1264 1.673,1265 0.603,1266 1.695,1267 1.252,1268 1.213,1269 1.398,1270 1.457,1271 0.491,1272 1.447,1273 1.115,1274 1.039,1275 1.082,1276 1.356,1277 0.355,1278 1.352,1279 0.858,1280 0.78,1281 1.074,1282 1.203,1283 0.161,1284 1.162,1285 0.691,1286 0.671,1287 0.927,1288 1.03,1290 1.058,1291 3.932,1293 5.273,1294 3.434,1295 6.779,1296 5.778,1297 8.361,1298 7.832,1299 9.987,1301 5.787,1307 0.733,1311 1.251,1318 24.534,1319 71.341,1320 142.064,1321 167.853,1322 167.853,1323 167.853,1324 167.853,1325 37.433,1326 6.899,1327 107.24,1328 160.78,1329 15,1330 12.442,1331 4.17,1332 3.392,1333 36.917,1334 80,1335 74,1336 0.233,1337 161.021,1338 259.5,1339 384.651,1340 8112,1342 16.56,1343 0.72,1344 0.62,1345 17.267,1346 14.258,1347 10.99,1348 0.44,1349 0.334,1350 6.702,1351 9.515,1352 6.334,1353 5.309,1354 11.807,1355 8.348,1356 10.188,1357 0.283,1358 0.192,1359 11.598,1360 6.899,1361 8.51,1362 0.177,1363 0.107,1364 10.226,1365 5.158,1366 7.018,1367 0.111,1368 0.059,1369 8.69,1370 3.73,1371 5.032,1372 0.074,1373 0.037,1374 6.747,1375 2.512,1376 0.363,1377 78.974,1378 0.249,1379 22.493,1380 0.647,1381 122,1382 454.708,1383 199.94,1384 475.663,1385 644.76,1386 440,1387 145,1388 462.113,1389 210.233,1390 488.011,1391 711.92,1392 454,1393 4.32}
{0 CHEMBL1361821,1 1.64,2 8.556,3 2.063,4 4.256,5 64.263,6 8.105,7 0.333,8 3.53,9 3.615,10 3.137,11 2.966,12 4.829,13 2.988,14 4.003,15 4.132,16 3.383,17 3.226,18 5.475,19 3.24,20 4.146,21 4.311,22 3.344,23 3.269,24 5.439,25 3.26,26 4.026,27 4.169,28 3.248,29 3.23,30 5.272,31 3.212,32 4.132,33 4.314,34 3.281,35 3.199,36 5.398,37 3.188,38 4.121,39 4.311,40 3.31,41 3.045,42 5.594,43 3.085,44 3.859,45 4.018,46 3.001,47 2.847,48 5.295,49 2.887,50 3.715,51 3.879,52 2.657,53 2.747,54 5.062,55 2.691,56 0.179,57 0.398,58 5.429,59 2.853,60 10.184,61 3.282,62 0.485,63 0.551,64 10.943,65 4.247,66 55.574,67 5.029,68 0.664,69 0.594,70 14.312,71 4.682,72 62.467,73 5.706,74 0.382,75 0.57,76 11.164,77 4.397,78 46.895,79 5.238,80 0.491,81 0.593,82 13.839,83 4.497,84 49.595,85 5.765,86 0.663,87 0.531,88 14.881,89 3.965,90 62.846,91 5.192,92 0.466,93 0.417,94 10.819,95 2.951,96 61.051,97 3.407,98 0.435,99 0.365,100 9.257,101 2.897,102 57.917,103 3.472,104 31,105 22,106 0.313,107 0.654,108 0.816,109 0.866,110 0.878,111 0.878,112 2.958,113 0.887,114 -3.27,115 -3.25,116 -3.12,119 38.7,120 1,125 2,134 1,136 1,141 4,142 1,143 1,156 1,164 2,171 5,173 2,174 4,182 5,185 2,186 6,194 4,199 5,207 1,212 1,213 9,225 2,226 11,239 4,247 2,250 2,259 3,263 4,271 1,274 436,275 11.905,276 11.905,277 11.905,278 11.905,279 11.905,280 10.518,281 11.372,282 7.507,283 12.267,284 8.853,285 8.853,286 8.853,287 8.853,288 8.853,289 6.723,290 9.364,291 3.505,292 9.304,293 3.314,294 1.521,295 0.67,296 0.411,297 0.347,298 0.347,299 3.591,305 1,306 1,307 297,308 3.606,312 67.444,319 1.333,320 27.09,323 1,324 1,325 1,326 0.8,328 1,329 1,330 0.83,331 41.5,332 154,333 4.232,334 3.709,335 6.14,336 3.822,337 2.854,338 3.86,339 2.612,340 9.043,341 2.763,342 3.866,343 3.673,344 5.031,345 3.313,346 2.351,347 3.417,348 2.513,349 6.07,350 2.233,351 3.643,352 3.031,353 4.685,354 3.154,355 2.191,356 2.82,357 0.965,358 5.216,359 2.106,360 3.003,361 2.01,362 4.343,363 2.545,364 1.593,365 2.156,366 0.257,367 4.211,368 1.517,369 2.916,370 1.81,371 3.632,372 2.451,373 1.463,374 2.075,376 3.07,377 1.434,378 2.366,379 1.521,380 3.248,381 2.006,382 1.089,383 1.146,385 1.974,386 0.984,387 2.158,388 1.229,389 2.943,390 1.629,391 0.649,392 1.013,394 1.357,395 0.631,396 1.787,397 1,398 2.67,399 1.389,400 0.449,401 0.573,403 0.904,404 0.415,405 1,406 0.866,407 2,408 0.607,409 -0.347,410 -0.418,412 -0.716,413 -0.326,414 0.989,415 0.382,416 2,417 0.392,418 -0.593,419 -0.7,421 -1.008,422 -0.573,423 0.677,424 0.047,425 1.783,426 0.197,427 -0.797,428 -1.076,430 -1.922,431 -0.784,432 0.618,433 -0.43,434 1.336,436 -1,437 -1.621,439 -2,440 -1,441 0.089,442 -0.721,443 1.237,444 -0.209,445 -1.212,446 -1.707,448 -2.952,449 -1.199,450 0.073,451 -1.017,452 1,453 -0.288,454 -1.262,455 -1.852,456 -0.586,457 -3.308,458 -1.249,459 -0.474,460 -1.038,461 0.715,462 -0.754,463 -1.628,464 -2,465 -0.612,466 -4.024,467 -1.425,468 8.067,469 0.448,470 0.37,471 0.021,472 23.5,473 1.306,474 12.5,475 0.694,476 11,477 0.611,478 10.365,479 0.576,480 20.733,481 0.669,482 16.665,483 0.926,484 5.098,485 0.283,486 3.532,487 0.196,488 0.186,490 0.236,493 0.561,494 1.254,495 0.68,496 1.241,497 0.54,498 1.058,499 0.834,500 1.08,501 0.856,502 1.096,503 0.475,504 1.006,505 1.023,506 0.798,507 0.972,508 0.813,509 0.814,510 0.865,511 1.025,512 1.288,513 1.094,514 1.277,515 0.933,516 1.23,517 0.999,518 1.133,519 0.969,520 1.107,521 0.893,522 1.046,523 1.081,524 0.935,525 0.826,526 0.865,527 1.01,528 0.771,529 1.594,530 0.936,531 1.235,532 0.905,533 1.708,534 0.925,535 1.287,536 0.947,537 1.446,538 1.067,539 1.731,540 1.283,541 3.5,542 0.033,543 1.778,544 0.625,545 0.542,546 0.569,547 0.287,548 0.189,549 0.132,550 0.056,551 2492,552 10431,553 1.876,554 41.9,556 9,557 1,561 3,564 1.587,565 1.742,566 3.109,567 -0.654,569 1,570 1,571 1,573 50.845,574 1.64,575 3.433,576 4.285,577 4.543,578 4.607,579 4.607,580 2.53,581 3.948,582 4.136,583 3.233,584 494.605,585 7.027,586 4883.69,588 1,590 1,591 153.58,592 1.436,593 4.086,594 0.194,595 0.011,596 0.081,597 0.03,598 0.029,599 0.03,600 0.015,601 0.014,602 0.015,603 0.008,604 0.426,605 0.5,606 1,607 2.234,608 77.812,609 0.126,610 -0.025,611 0.053,612 -0.097,613 -0.018,614 -0.071,615 0.087,616 -0.035,617 0.026,618 -0.046,619 0.206,620 -0.032,621 -0.023,622 0.167,623 -0.012,624 0.181,625 -0.044,626 0.108,627 -0.177,628 -0.251,629 -0.226,630 -0.227,631 -0.143,632 -0.244,633 -0.097,634 -0.157,635 -0.016,636 -0.133,637 -0.072,638 -0.066,639 0.025,640 -0.034,641 0.222,642 0.038,643 0.064,644 0.174,645 -0.4,646 0.02,647 -0.228,648 0.001,649 -0.313,650 -0.033,651 -0.21,652 0.004,653 -0.475,654 -0.115,655 -0.396,656 -0.352,657 2.567,658 4.12,659 0.333,660 14.247,661 1.034,662 1.13,663 2.035,664 4.143,665 0.64,666 2.944,667 3.135,668 3.219,669 3.332,670 3.466,671 3.401,672 3.332,673 3.219,674 3.091,675 2.639,676 5.195,677 0.637,678 251.26,679 2.944,680 4.394,681 5.153,682 5.958,683 6.746,684 7.561,685 8.362,686 9.181,687 9.991,688 10.812,689 3.2,701 1,707 4,712 2,714 6,730 1,733 31,735 10,736 1,737 18,739 31,740 12,741 6,742 2,743 4,744 2,747 1,748 1,753 1,762 9,763 3,766 4,768 1,771 3,773 2,775 1,779 1,782 13,783 5,785 6,791 1,796 1,797 5,816 1,832 1,835 1,840 1,845 1,850 1,854 18,862 2,865 2,878 16.1,881 1,883 2,884 2,885 10.333,886 5.783,887 4.278,888 1.807,890 1.953,891 1.346,892 0.875,893 5.878,894 7.595,895 3.258,896 3.726,897 4.073,898 4.464,899 4.963,900 5.063,901 5.256,902 5.382,903 5.579,904 5.045,905 0.833,906 21,907 6.582,909 2.594,910 8.389,911 11.817,913 8.481,915 2.889,916 52,920 153.024,921 90.059,922 5.67,924 97.892,927 90.059,928 250.916,929 5.67,930 14.495,931 18.232,932 47.381,933 32.336,934 30.429,935 11.771,936 141.253,937 50.747,938 153.024,939 95.729,940 97.892,943 117.711,944 82.458,945 50.747,947 18.01,948 68.243,949 9.476,951 153.024,952 103.562,953 90.059,956 153.024,957 24.805,958 70.924,960 97.892,961 153.024,962 103.562,963 90.059,965 0.546,966 0.284,967 0.143,968 0.079,969 7,970 4,971 0.226,972 7,974 1,975 3.031,976 108.918,978 6,979 73.059,985 14.192,986 7.455,987 5.353,989 97.892,990 6.708,995 0.919,998 346.645,999 25,1001 -0.567,1004 31.598,1006 2.118,1008 -0.481,1011 32.04,1012 35.037,1013 0.331,1014 0.693,1015 0.865,1016 0.917,1017 0.93,1018 0.93,1019 4.413,1020 0.449,1021 5.081,1022 1.357,1023 3.807,1024 4.407,1025 3.214,1026 5.74,1027 3.72,1028 5.581,1029 -0.347,1030 6.55,1031 0.904,1032 3.219,1033 4.159,1034 2.946,1035 6.418,1036 3.134,1037 6.847,1038 -0.593,1039 8.12,1040 -0.716,1041 5.242,1042 6.483,1043 4.771,1044 9.413,1045 5.077,1046 8.149,1047 -0.797,1048 9.752,1049 -1.008,1050 5.442,1051 7.016,1052 5.131,1053 10.973,1054 5.27,1055 9.479,1056 -1,1057 11.427,1058 -1.922,1059 6.942,1060 8.829,1061 6.512,1062 13.473,1063 6.712,1064 10.828,1065 -1.212,1066 13.132,1067 -2,1068 7.537,1069 9.72,1070 7.149,1071 15.405,1072 7.288,1073 12.192,1074 -1.262,1075 14.86,1076 -2.952,1077 8.794,1078 11.314,1079 8.325,1080 17.726,1081 8.505,1082 2.854,1083 -1.628,1084 16.606,1085 -3.308,1086 9.6,1087 12.391,1088 9.101,1089 19.815,1090 9.283,1091 2.351,1092 9.043,1093 18.366,1094 -4.024,1095 10.74,1096 13.875,1097 10.173,1098 22.066,1099 10.392,1100 2.191,1101 6.07,1102 20.137,1103 3.86,1104 11.659,1105 15.057,1106 11.024,1107 24.22,1108 11.278,1109 1.593,1110 5.216,1111 21.917,1112 3.417,1113 12.744,1114 16.48,1115 12.041,1116 26.443,1117 12.336,1118 1.463,1119 4.211,1120 23.704,1121 2.82,1122 13.723,1123 17.724,1124 12.932,1125 28.625,1126 13.281,1127 1.089,1128 3.07,1129 25.497,1130 2.156,1131 14.784,1132 19.114,1133 13.919,1134 30.836,1135 14.315,1136 0.649,1137 1.974,1138 27.294,1139 2.075,1140 15.794,1141 20.395,1142 14.834,1143 33.029,1144 15.292,1145 2728,1146 5689,1147 11.326,1148 19.847,1149 25.721,1150 26.777,1151 26.274,1152 25.242,1153 25.277,1154 34.119,1155 12.696,1156 63.687,1157 24.17,1158 5.112,1159 5.709,1160 5.914,1161 4.883,1162 4.854,1163 6.86,1164 4.612,1165 15.154,1166 4.763,1167 10.487,1168 1.429,1169 1.488,1170 1.46,1171 1.402,1172 1.404,1173 1.895,1174 0.705,1175 3.538,1176 1.343,1177 3.961,1178 3.983,1179 3.913,1180 3.871,1181 7.816,1182 3.873,1183 3.719,1184 3.745,1185 3.687,1186 3.381,1187 7.432,1188 3.434,1189 3.617,1190 3.641,1191 3.527,1192 3.361,1193 6.999,1194 3.39,1195 3.338,1196 3.398,1197 3.144,1198 3.124,1199 4.853,1200 3.122,1201 3.046,1202 3.082,1203 2.953,1204 2.761,1205 4.476,1206 2.822,1207 2.877,1208 2.91,1209 2.773,1210 2.706,1211 4.279,1212 2.71,1213 2.615,1214 2.678,1215 2.438,1216 2.279,1217 4.131,1218 2.33,1219 2.441,1220 2.533,1221 2.2,1222 2.144,1223 3.627,1224 2.147,1225 0.235,1226 0.206,1227 0.341,1228 0.212,1229 0.159,1230 4.232,1231 0.214,1232 3.709,1233 0.145,1234 6.14,1235 0.502,1236 3.822,1237 0.154,1238 2.854,1239 3.86,1240 2.612,1241 9.043,1242 2.763,1243 1.916,1244 1.895,1245 2.018,1246 2.044,1247 1.104,1248 2.023,1249 1.528,1250 1.49,1251 1.811,1252 1.884,1253 0.943,1254 1.805,1255 1.507,1256 1.465,1257 1.646,1258 1.79,1259 0.703,1260 1.778,1261 1.302,1262 1.249,1263 1.552,1264 1.561,1265 0.598,1266 1.566,1267 0.91,1268 0.875,1269 1.129,1270 1.215,1271 0.171,1272 1.19,1273 0.833,1274 0.793,1275 1.023,1276 1.06,1277 0.111,1278 1.061,1279 0.515,1280 0.449,1281 0.985,1282 0.903,1283 0.006,1284 0.932,1285 0.419,1286 0.332,1287 0.706,1288 0.733,1290 0.745,1291 3.611,1293 4.828,1295 6.225,1297 7.709,1299 9.244,1301 1.7,1307 0.058,1310 9.947,1318 19.756,1319 50.845,1320 106.419,1321 132.825,1322 140.825,1323 142.825,1324 142.825,1325 41.689,1326 5.642,1327 81.35,1328 81.35,1329 6,1330 11.395,1331 3.459,1332 3,1333 41.683,1334 53,1335 60,1336 0.38,1337 127.696,1338 232.01,1339 303.339,1340 1603,1342 13.38,1343 0.743,1344 0.548,1345 13.38,1346 9.867,1347 8.63,1348 0.479,1349 0.296,1350 5.197,1351 8.025,1352 5.092,1353 4.259,1354 8.63,1355 5.323,1356 7.247,1357 0.329,1358 0.147,1359 7.247,1360 3.233,1361 4.993,1362 0.208,1363 0.081,1364 4.993,1365 1.946,1366 3.728,1367 0.138,1368 0.046,1369 3.728,1370 1.23,1371 2.785,1372 0.09,1373 0.023,1374 2.785,1375 0.723,1376 0.59,1377 56.111,1378 0.297,1379 18.408,1380 1.047,1381 80,1382 378.323,1383 95.254,1384 343.859,1385 436.24,1386 316,1387 86,1388 298.558,1389 99.348,1390 288.789,1391 408.21,1392 269,1393 4.303}
{0 CHEMBL1361913,1 1.491,2 7.333,3 2.793,4 7.799,5 78.751,6 8.665,7 0.522,8 3.579,9 3.658,10 3.274,11 3.236,12 4.855,13 3.231,14 4.039,15 4.138,16 3.636,17 3.591,18 5.358,19 3.577,20 4.281,21 4.431,22 3.697,23 3.648,24 5.628,25 3.638,26 4.246,27 4.377,28 3.684,29 3.589,30 5.791,31 3.592,32 4.228,33 4.343,34 3.671,35 3.608,36 5.698,37 3.611,38 4.254,39 4.398,40 3.53,41 3.531,42 5.855,43 3.497,44 4.079,45 4.289,46 3.105,47 3.317,48 5.278,49 3.221,50 3.833,51 4.052,52 2.749,53 2.979,54 5.083,55 2.874,56 0.038,57 0.379,58 4.153,59 2.64,60 7.317,61 2.867,62 0.149,63 0.619,64 7.331,65 4.217,66 9.844,67 4.714,68 0.209,69 0.792,70 12.586,71 5.757,72 37.321,73 6.346,74 0.383,75 0.743,76 12.306,77 5.404,78 70.575,79 5.523,80 0.249,81 0.71,82 11.243,83 5.348,84 51.576,85 5.158,86 0.446,87 0.747,88 12.754,89 5.612,90 94.935,91 5.822,92 0.222,93 0.656,94 12.36,95 5.225,96 37.914,97 6.297,98 0.196,99 0.501,100 10.271,101 4.192,102 35.259,103 5.003,104 10,105 32,106 0.273,107 0.473,108 0.613,109 0.738,110 0.808,111 0.824,112 3.105,113 0.839,114 -4.03,115 -3.98,116 -3.77,119 53.1,134 2,141 9,142 2,143 1,155 1,156 2,171 11,173 2,174 8,182 11,186 7,194 8,198 2,199 10,207 10,213 8,221 12,225 2,226 8,234 11,239 5,247 8,251 4,259 5,264 2,271 2,274 549,275 14.242,276 14.242,277 14.242,278 14.242,279 14.242,280 12.37,281 11.047,282 8.459,283 14.265,284 11.323,285 11.323,286 11.323,287 11.323,288 11.323,289 8.379,290 13.361,291 3.973,292 11.328,293 3.509,294 2.417,295 1.653,296 0.972,297 0.586,298 0.5,299 3.78,304 1,305 1,306 1,307 329,308 2.449,311 50.961,312 129.326,319 1.111,320 30.349,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 45.5,332 154,333 4.535,334 3.89,335 6.928,336 4.228,337 3.248,338 4.1,339 1.349,340 11.611,341 3.19,342 4.199,343 3.584,344 6.375,345 3.884,346 2.876,347 3.619,348 0.8,349 9.544,350 2.879,351 3.814,352 3.205,353 5.6,354 3.373,355 2.369,356 3.305,358 7.17,359 2.374,360 3.236,361 2.653,362 4.732,363 2.795,364 1.755,365 2.507,367 4.726,368 1.822,369 3.214,370 2.172,371 4.662,372 2.77,373 1.732,374 2.303,376 4.561,377 1.777,378 2.929,379 1.688,380 3.926,381 2.458,382 1.466,383 2.076,385 3.32,386 1.452,387 2.769,388 1.327,389 3.664,390 2.31,391 1.31,392 1.885,394 2.931,395 1.309,396 2.5,397 1.314,398 3.554,399 2,400 1,401 1.5,403 2.136,404 1,405 2.439,406 1.104,407 3.276,408 1.833,409 0.84,410 1.222,412 2.104,413 0.831,414 2.332,415 1,416 3.247,417 1.725,418 0.678,419 1.06,421 1.643,422 0.705,423 1.543,424 0.878,425 2.565,426 0.956,427 -0.123,428 -0.195,430 -0.278,431 -0.131,432 0.797,433 -0.046,434 2.179,435 0.334,436 -0.684,437 -0.946,439 -1.586,440 -0.693,441 0.736,442 -0.197,443 2,444 0.277,445 -0.771,446 -1.185,448 -1.732,449 -0.805,450 0.565,451 -0.573,452 2,453 0.099,454 -0.922,455 -1.303,457 -2.248,458 -0.927,459 0.5,460 -0.834,461 1.649,462 0.084,463 -1,464 -1.356,466 -2.347,467 -1,468 9.9,469 0.471,470 0.49,471 0.023,472 31.5,473 1.5,474 18.5,475 0.881,476 13,477 0.619,478 11.511,479 0.548,480 20.7,481 0.647,482 23.101,483 1.1,484 6.561,485 0.312,486 3.621,487 0.172,488 0.101,490 0.343,493 0.527,494 1.06,495 0.619,496 0.895,497 0.513,498 0.803,499 0.504,500 1.145,501 0.77,502 1.044,503 0.587,504 0.99,505 0.994,506 1.036,507 0.857,508 0.989,509 0.936,510 0.905,511 1.167,512 0.905,513 0.936,514 0.889,515 1.179,516 0.863,517 1.375,518 1.024,519 1.027,520 1.013,521 1.388,522 0.957,523 1.108,524 1.05,525 1.187,526 1.079,527 1.083,528 1.134,529 0.872,530 0.977,531 1.129,532 1.048,533 0.826,534 1.124,535 1.042,536 0.973,537 1.194,538 1.093,539 1.047,540 1.162,541 3,543 2.667,544 2.035,545 1.053,546 0.677,547 0.45,548 0.196,549 0.071,550 0.038,551 3878,552 12400,553 2.074,554 34.4,556 11,564 1.64,565 1.938,566 2.887,567 -0.797,569 1,571 1,573 47.704,574 1.491,575 2.583,576 3.347,577 4.028,578 4.414,579 4.5,580 2.258,581 3.916,582 4.367,583 3.008,584 631.733,585 7.52,586 6565.2,587 1,588 1,589 1,590 1,591 160,592 1.418,593 4.322,594 0.13,596 0.083,597 0.062,598 0.033,599 0.021,600 0.017,601 0.012,602 0.006,603 0.009,604 0.374,605 0.83,606 1,607 0.61,608 92.46,609 -0.011,610 -0.097,611 0.033,612 -0.018,613 -0.048,614 0.007,615 0.145,616 -0.152,617 -0.04,618 -0.161,619 -0.003,620 -0.158,621 -0.072,622 -0.046,623 0.076,624 -0.041,625 -0.034,626 0.036,627 0.03,628 0.082,629 0.012,630 0.055,631 0.034,632 0.036,633 -0.206,634 -0.079,635 -0.127,636 -0.074,637 -0.177,638 -0.079,639 0.076,640 -0.083,641 -0.204,642 -0.12,643 0.122,644 -0.201,645 -0.071,646 -0.012,647 -0.059,648 -0.032,649 -0.042,650 -0.038,651 -0.091,652 -0.033,653 -0.051,654 -0.049,655 -0.075,656 -0.041,657 2.103,658 5.568,659 0.81,660 12.803,661 1.016,662 1.1,663 2.804,664 7.861,665 0.724,666 3.178,667 3.497,668 3.807,669 4.078,670 4.22,671 4.174,672 4.248,673 4.234,674 4.174,675 4.111,676 4.658,677 0.712,678 277.29,679 3.178,680 4.71,681 5.572,682 6.457,683 7.339,684 8.231,685 9.12,686 10.016,687 10.907,688 11.804,689 3.1,696 1,707 9,712 3,714 12,719 1,733 32,735 16,736 2,737 23,739 34,740 17,741 12,742 3,743 9,744 5,747 3,748 3,762 17,766 4,771 3,773 2,775 3,778 1,779 1,782 11,783 4,785 4,791 1,794 1,796 1,797 3,815 1,816 2,835 2,845 3,854 21,868 1,878 9.4,881 3,885 10.833,886 5.867,887 4.667,888 1.851,890 2.84,891 1.427,892 1.001,893 3.307,894 9.485,895 3.526,896 4.078,897 4.668,898 5.201,899 5.68,900 5.754,901 6.122,902 6.372,903 6.605,904 6.843,905 0.8,906 33,907 7.794,909 3.434,910 8.119,911 14.267,913 11.608,915 2.619,916 55,920 129.482,921 127.909,922 3.124,924 75.435,927 127.909,928 204.917,929 3.124,931 3.124,932 104.239,933 89.978,934 9.128,936 129.482,938 129.482,939 131.034,940 75.435,943 129.482,944 75.435,947 3.124,948 108.957,949 18.952,951 129.482,952 78.559,953 127.909,956 129.482,957 23.671,958 107.363,960 75.435,961 129.482,962 78.559,963 127.909,965 0.579,966 0.355,967 0.202,968 0.104,969 16,970 7,971 0.088,972 3,974 1,975 3.241,976 165.912,978 17,979 82.239,985 13.166,986 5.275,987 2.331,989 78.559,990 15.361,995 1.15,998 335.951,999 33,1004 36.174,1006 2.401,1008 -1.097,1011 32.502,1012 35.203,1013 0.298,1014 0.517,1015 0.669,1016 0.806,1017 0.883,1018 0.9,1019 4.745,1020 1,1021 5.557,1022 2.931,1023 4.174,1024 4.762,1025 1.758,1026 6.402,1027 4.174,1028 5.949,1029 0.84,1030 7.138,1031 2.136,1032 3.761,1033 4.425,1034 0.325,1035 7.413,1036 3.76,1037 7.249,1038 0.678,1039 8.83,1040 2.104,1041 5.784,1042 6.89,1043 2.029,1044 10.574,1045 5.763,1046 8.588,1047 -0.123,1048 10.59,1049 1.643,1050 6.256,1051 7.394,1052 0.931,1053 12.459,1054 6.22,1055 9.963,1056 -0.684,1057 12.393,1058 -0.278,1059 7.734,1060 9.302,1061 2.398,1062 15.135,1063 7.682,1064 11.363,1065 -0.771,1066 14.226,1067 -1.586,1068 8.598,1069 10.215,1070 1.621,1071 17.347,1072 8.526,1073 12.783,1074 -0.922,1075 16.08,1076 -1.732,1077 9.869,1078 11.87,1079 2.838,1080 19.866,1081 9.782,1082 3.248,1083 -1,1084 17.948,1085 -2.248,1086 10.902,1087 12.996,1088 2.316,1089 22.21,1090 10.794,1091 2.876,1092 11.611,1093 19.828,1094 -2.347,1095 12.097,1096 14.526,1097 3.326,1098 24.676,1099 11.973,1100 2.369,1101 9.544,1102 21.716,1103 4.1,1104 13.203,1105 15.77,1106 2.996,1107 27.075,1108 13.058,1109 1.755,1110 7.17,1111 23.611,1112 3.619,1113 14.372,1114 17.236,1115 3.846,1116 29.524,1117 14.21,1118 1.732,1119 4.726,1120 25.511,1121 3.305,1122 15.51,1123 18.545,1124 3.659,1125 31.948,1126 15.327,1127 1.466,1128 4.561,1129 27.415,1130 2.507,1131 16.673,1132 19.979,1133 4.387,1134 34.394,1135 16.471,1136 1.31,1137 3.32,1138 29.323,1139 2.303,1140 17.825,1141 21.327,1142 4.307,1143 36.83,1144 17.603,1145 3817,1146 6929,1147 15.315,1148 23.176,1149 35.456,1150 37.595,1151 36.277,1152 34.489,1153 34.551,1154 47.156,1155 4.298,1156 99.489,1157 34.678,1158 5.378,1159 5.89,1160 6.73,1161 5.252,1162 5.248,1163 7.1,1164 2.549,1165 19.182,1166 5.19,1167 9.214,1168 1.542,1169 1.635,1170 1.577,1171 1.5,1172 1.502,1173 2.05,1174 0.187,1175 4.326,1176 1.508,1177 4.023,1178 4.043,1179 3.986,1180 3.944,1181 7.449,1182 3.948,1183 3.863,1184 3.889,1185 3.807,1186 3.779,1187 7.427,1188 3.779,1189 3.715,1190 3.737,1191 3.653,1192 3.594,1193 7.408,1194 3.609,1195 3.208,1196 3.218,1197 3.148,1198 3.064,1199 4.751,1200 3.078,1201 2.872,1202 2.935,1203 2.854,1204 2.744,1205 4.676,1206 2.738,1207 2.864,1208 2.925,1209 2.754,1210 2.735,1211 4.219,1212 2.715,1213 2.854,1214 2.821,1215 2.687,1216 2.602,1217 3.674,1218 2.607,1219 2.713,1220 2.777,1221 2.574,1222 2.525,1223 3.665,1224 2.588,1225 0.197,1226 0.169,1227 0.301,1228 0.184,1229 0.141,1230 4.535,1231 0.178,1232 3.89,1233 0.059,1234 6.928,1235 0.505,1236 4.228,1237 0.139,1238 3.248,1239 4.1,1240 1.349,1241 11.611,1242 3.19,1243 1.963,1244 1.945,1245 2.055,1246 2.046,1247 1.15,1248 2.048,1249 1.83,1250 1.801,1251 1.953,1252 1.918,1253 1.023,1254 1.931,1255 1.5,1256 1.478,1257 1.645,1258 1.649,1259 0.645,1260 1.644,1261 1.246,1262 1.226,1263 1.317,1264 1.528,1265 0.354,1266 1.46,1267 1.142,1268 1.127,1269 1.273,1270 1.321,1271 0.306,1272 1.3,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 0.794,1280 0.737,1281 1.067,1282 0.979,1283 0.118,1284 1.014,1285 0.647,1286 0.605,1287 0.879,1288 0.825,1290 0.85,1291 3.85,1293 5.165,1294 2.398,1295 6.688,1296 4.727,1297 8.304,1298 6.783,1299 9.968,1313 1.01,1318 22.8,1319 47.704,1320 82.662,1321 107.106,1322 128.881,1323 141.245,1324 144,1325 43.645,1326 6.645,1327 56.14,1328 56.14,1329 17,1330 12.329,1331 4.087,1332 3.459,1333 31.866,1334 57,1335 59,1336 0.276,1337 141.169,1338 254.75,1339 336.213,1340 5959,1342 14.82,1343 0.706,1344 0.525,1345 14.82,1346 11.023,1347 10.182,1348 0.443,1349 0.28,1350 6.368,1351 9.894,1352 6.25,1353 5.179,1354 10.182,1355 6.432,1356 8.979,1357 0.281,1358 0.142,1359 8.979,1360 4.558,1361 7.829,1362 0.178,1363 0.074,1364 7.829,1365 3.235,1366 6.644,1367 0.115,1368 0.039,1369 6.644,1370 2.243,1371 5.052,1372 0.075,1373 0.021,1374 5.052,1375 1.409,1376 0.412,1377 63.321,1378 0.256,1379 20.261,1380 0.829,1381 110,1382 366.852,1383 119.613,1384 354.064,1385 473.79,1386 328,1387 131,1388 339.134,1389 140.643,1390 343.042,1391 504.86,1392 324,1393 4.811}
{0 CHEMBL1362660,1 2.089,2 7.158,3 2.171,4 4.712,5 76.018,6 14.519,7 0.3,8 3.465,9 3.541,10 3.588,11 2.973,12 4.768,13 3.003,14 3.935,15 4.064,16 4.053,17 3.295,18 5.274,19 3.314,20 3.956,21 4.035,22 4.741,23 3.429,24 5.457,25 3.429,26 3.949,27 4.06,28 4.122,29 3.247,30 5.486,31 3.273,32 3.916,33 4.07,34 3.89,35 3.174,36 5.218,37 3.19,38 3.913,39 4.043,40 3.943,41 3.129,42 5.347,43 3.142,44 3.746,45 3.879,46 3.936,47 3.102,48 5.026,49 3.01,50 3.719,51 3.94,52 3.767,53 2.925,54 4.835,55 2.696,56 0.206,57 0.411,58 4.566,59 2.123,60 7.193,61 1.71,62 0.548,63 0.585,64 14.235,65 3.889,66 28.429,67 2.987,68 0.454,69 0.623,70 41.746,71 4.556,72 29.005,73 2.334,74 0.537,75 0.591,76 11.705,77 3.495,78 29.616,79 2.42,80 0.454,81 0.553,82 12.738,83 3.735,84 31.383,85 3.474,86 0.652,87 0.497,88 5.376,89 3.346,90 36.316,91 1.418,92 0.416,93 0.413,94 9.303,95 3.907,96 23.167,97 2.799,98 0.511,99 0.33,100 27.974,101 5.242,102 51.006,103 5.024,104 30,105 28,106 0.411,107 0.72,108 0.749,109 0.763,110 0.763,111 0.763,112 3.011,113 0.984,114 -4.26,115 -4.2,116 -3.96,117 2,119 37,124 2,137 2,141 1,146 2,148 1,152 1,156 1,164 1,173 6,174 4,185 3,186 3,194 1,198 7,199 4,212 2,213 3,225 2,226 3,239 2,247 1,251 2,259 1,274 410,275 12.602,276 12.602,277 12.602,278 12.602,279 12.602,280 11.319,281 18.029,282 7.184,283 13.411,284 9.674,285 9.674,286 9.674,287 9.674,288 9.674,289 7.551,290 26.647,291 3.216,292 10.989,293 2.666,294 1.093,295 0.945,296 0.871,297 0.871,298 0.871,299 3.661,305 1,306 1,307 275,308 2.345,312 121.046,319 1.025,320 23.997,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 42.5,332 136,333 4.458,334 3.82,335 6.678,336 4.072,337 3.149,338 3.963,339 1.058,340 10.62,341 2.888,342 4.169,343 3.098,344 6.001,345 3.663,346 2.767,347 3.729,348 0.86,349 8.49,350 2.465,351 3.626,352 2.93,353 5.527,354 3.204,355 2.33,356 2.86,357 0.86,358 7.209,359 1.941,360 3.355,361 2.555,362 4.969,363 2.932,364 2.061,365 2.604,367 5.818,368 1.788,369 3.17,370 2.55,371 4.852,372 2.681,373 1.752,374 2.264,376 4.947,377 1.54,378 2.848,379 1.976,380 4.233,381 2.251,382 1.353,383 1.851,385 3.655,386 1.171,387 1.657,388 1.585,389 2.976,390 1.326,391 0.479,392 0.522,394 0.684,395 0.402,396 1.592,397 1.119,398 2.842,399 1.235,400 0.396,401 0.452,403 0.632,404 0.331,405 1.576,406 0.916,407 2.782,408 1.098,409 0.29,410 0.342,412 0.602,413 0.142,414 1.447,415 0.758,416 2.752,417 0.799,423 0.653,424 -0.265,425 2.282,426 0.196,427 -0.694,428 -0.878,430 -1.599,431 -0.555,432 0.65,433 -0.339,434 1.742,435 0.17,436 -0.726,437 -0.905,439 -1.906,440 -0.608,442 -0.421,443 1.629,444 -0.289,445 -1.154,446 -1.269,448 -2.817,449 -0.726,451 -0.697,452 1.535,453 -0.512,454 -1.324,455 -1.563,457 -3.428,458 -0.997,459 -0.199,460 -1.07,461 1.34,462 -0.701,463 -1.466,464 -1.653,466 -3.987,467 -1.223,468 10.267,469 0.54,470 0.524,471 0.028,472 25,473 1.316,474 12,475 0.632,476 13,477 0.684,478 16.272,479 0.856,480 19.733,481 0.731,482 14.803,483 0.779,484 4.77,485 0.251,486 4.292,487 0.226,488 0.39,490 0.331,493 0.872,494 1.529,495 0.474,496 0.773,497 0.659,498 0.798,499 1.144,500 0.745,501 0.598,502 0.398,503 0.809,504 0.39,505 1.058,506 1.349,507 0.884,508 0.973,509 1.025,510 0.775,511 0.613,512 1.141,513 0.762,514 0.929,515 0.898,516 0.95,517 0.84,518 1.25,519 0.447,520 0.771,521 0.873,522 0.839,523 1.573,524 0.64,525 0.672,526 0.566,527 1.018,528 0.728,529 1.082,530 0.895,531 0.868,532 1.051,533 1.177,534 1.265,535 0.885,536 0.691,537 1.038,538 1.048,539 1.848,540 1.218,541 4.5,543 2.444,544 1.688,545 1.338,546 0.792,547 0.426,548 0.286,549 0.111,551 2672,552 12864,553 1.935,554 29.6,556 7,558 1,564 1.609,565 1.754,566 2.881,567 -0.517,573 56.408,574 2.089,575 3.662,576 3.81,577 3.884,578 3.884,579 3.884,580 2.249,581 3.827,582 4.221,583 2.96,584 506.182,585 7.22,586 4909.59,588 1,590 1,591 128.382,592 1.568,593 4.14,594 0.225,596 0.087,597 0.054,598 0.051,599 0.034,600 0.021,601 0.02,602 0.016,604 0.51,605 0.33,606 1,607 1.072,608 80.789,609 -0.118,610 -0.395,611 -0.003,612 -0.128,613 -0.102,614 -0.107,615 -0.1,616 0.296,617 0.029,618 0.379,619 -0.035,620 0.432,621 -0.13,622 -0.237,623 0.203,624 -0.011,625 -0.01,626 -0.018,627 0.352,628 -0.036,629 -0.034,630 -0.146,631 0.157,632 -0.201,633 0.064,634 -0.264,635 0.077,636 -0.046,637 0.04,638 0.067,639 -0.343,640 0.362,641 -0.019,642 0.231,643 -0.02,644 0.07,645 -0.118,646 0.011,647 0.015,648 -0.109,649 -0.187,650 -0.267,651 0.122,652 -0.017,653 0.072,654 0.102,655 -0.249,656 0.159,657 2.065,658 5.051,659 0.632,660 11.662,661 1.055,662 1.131,663 3.028,664 9.167,665 0.755,666 3.045,667 3.367,668 3.638,669 3.829,670 4.043,671 4.078,672 4.06,673 3.989,674 3.892,675 3.664,676 4.471,677 0.736,678 392.02,679 3.045,680 4.575,681 5.425,682 6.301,683 7.171,684 8.054,685 8.929,686 9.814,687 10.692,688 11.578,689 14.8,696 1,698 1,699 2,707 1,708 2,712 3,714 6,730 2,733 27,735 9,737 20,738 2,739 28,740 10,741 4,744 4,745 2,747 2,748 2,750 1,762 8,763 2,765 2,766 3,771 1,773 1,774 1,775 3,779 1,782 8,783 7,785 9,786 2,791 4,796 1,797 3,810 1,816 2,835 2,845 2,849 2,850 2,854 19,865 2,868 1,877 2,878 11.1,881 1,883 2,885 10.833,886 5.752,887 4.361,888 1.311,890 1.959,891 1.316,892 0.936,893 4.549,894 8.165,895 3.296,896 3.861,897 4.404,898 4.893,899 5.354,900 5.584,901 5.801,902 6.032,903 6.205,904 6.346,905 0.8,906 31,907 6.933,909 2.829,910 8.053,911 12.568,913 9.355,915 2.553,916 48.5,920 94.169,921 62.633,922 145.144,924 47.145,927 154.541,928 141.314,929 53.236,930 21.766,931 3.002,932 9.476,933 90.349,934 38.663,935 11.528,936 82.398,937 91.908,938 94.169,939 115.869,940 47.145,942 91.908,943 94.169,944 47.145,947 21.564,948 45.576,949 48.729,950 91.908,951 94.169,952 100.381,953 154.541,956 94.169,957 22.343,958 43.292,959 91.908,960 97.379,961 94.169,962 100.381,963 154.541,965 0.581,966 0.36,967 0.18,968 0.101,969 13,970 7,971 0.107,972 3,974 1,975 2.957,976 137.309,978 12,979 72.711,985 14.435,986 5.987,987 2.962,989 100.381,990 1.502,991 8.105,995 0.61,998 349.09,999 26,1004 12.051,1006 1.459,1007 3.951,1008 0.473,1011 28.498,1012 30.55,1013 0.439,1014 0.77,1015 0.801,1016 0.817,1017 0.817,1018 0.817,1019 4.538,1020 0.396,1021 5.434,1022 0.684,1023 4.043,1024 4.543,1025 1.824,1026 6.263,1027 3.805,1028 5.76,1029 0.29,1030 7.02,1031 0.632,1032 3.761,1033 4.425,1035 7.213,1036 3.366,1037 7.082,1039 8.703,1040 0.602,1041 5.666,1042 6.703,1043 1.74,1044 10.299,1045 5.241,1046 8.438,1047 -0.694,1048 10.438,1050 6.155,1051 7.326,1053 12.008,1054 5.576,1055 9.821,1056 -0.726,1057 12.206,1058 -1.599,1059 7.568,1060 9.117,1061 1.692,1062 14.647,1063 6.965,1064 11.222,1065 -1.154,1066 13.997,1067 -1.906,1068 8.401,1069 10.087,1071 16.695,1072 7.67,1073 12.638,1074 -1.324,1075 15.804,1076 -2.817,1077 9.632,1078 11.669,1079 1.676,1080 19.167,1081 8.858,1082 3.149,1083 -1.466,1084 17.625,1085 -3.428,1086 10.626,1087 12.818,1089 21.375,1090 9.745,1091 2.767,1092 10.62,1093 19.457,1094 -3.987,1095 11.788,1096 14.297,1097 1.688,1098 23.78,1099 10.848,1100 2.33,1101 8.49,1102 21.298,1103 3.963,1104 12.855,1105 15.542,1107 26.065,1108 11.821,1109 2.061,1110 7.209,1111 23.147,1112 3.729,1113 13.994,1114 16.967,1115 1.723,1116 28.443,1117 12.891,1118 1.752,1119 5.818,1120 25.003,1121 2.86,1122 15.096,1123 18.263,1125 30.766,1126 13.904,1127 1.353,1128 4.947,1129 26.864,1130 2.604,1131 16.229,1132 19.66,1133 1.776,1134 33.132,1135 14.962,1136 0.479,1137 3.655,1138 28.73,1139 2.264,1140 17.348,1141 20.985,1143 35.474,1144 15.996,1145 2819,1146 6322,1147 12.542,1148 20.375,1149 29.798,1150 32.111,1151 31.356,1152 29.353,1153 29.156,1154 37.171,1155 5.557,1156 85.314,1157 25.337,1158 5.291,1159 5.82,1160 6.231,1161 5.144,1162 5.149,1163 6.963,1164 2.117,1165 17.995,1166 4.824,1167 11.509,1168 1.49,1169 1.606,1170 1.568,1171 1.468,1172 1.458,1173 1.859,1174 0.278,1175 4.266,1176 1.267,1177 3.92,1178 3.958,1179 6.934,1180 3.767,1181 7.428,1182 3.77,1183 3.716,1184 3.733,1185 6.823,1186 3.6,1187 5.088,1188 3.605,1189 3.29,1190 3.347,1191 3.866,1192 2.966,1193 4.711,1194 2.987,1195 3.167,1196 3.247,1197 3.52,1198 2.906,1199 4.613,1200 2.913,1201 2.958,1202 2.976,1203 3.127,1204 2.766,1205 4.313,1206 2.762,1207 2.878,1208 2.928,1209 2.933,1210 2.729,1211 3.965,1212 2.705,1213 2.513,1214 2.584,1215 2.849,1216 2.288,1217 3.653,1218 2.28,1219 2.467,1220 2.499,1221 2.596,1222 2.239,1223 3.551,1224 2.274,1225 0.223,1226 0.191,1227 0.334,1228 0.204,1229 0.157,1230 4.458,1231 0.198,1232 3.82,1233 0.053,1234 6.678,1235 0.531,1236 4.072,1237 0.144,1238 3.149,1239 3.963,1240 1.058,1241 10.62,1242 2.888,1243 1.775,1244 1.745,1245 1.811,1246 1.998,1247 0.834,1248 1.947,1249 1.622,1250 1.607,1251 1.619,1252 1.783,1253 0.733,1254 1.758,1255 1.21,1256 1.138,1257 1.585,1258 1.553,1259 0.579,1260 1.56,1261 1.121,1262 1.031,1263 1.478,1264 1.418,1265 0.522,1266 1.446,1267 0.837,1268 0.811,1269 0.96,1270 1.091,1272 1.053,1273 0.773,1274 0.725,1275 0.784,1276 0.954,1278 0.952,1279 0.382,1280 0.327,1281 0.442,1282 0.7,1284 0.638,1285 0.306,1286 0.279,1287 0.236,1288 0.543,1290 0.531,1291 3.714,1293 5.03,1295 6.561,1297 8.187,1299 9.861,1300 6.356,1301 2.915,1310 10.035,1313 1.042,1318 19.861,1319 56.408,1320 98.872,1321 102.872,1322 104.872,1323 104.872,1324 104.872,1325 30.881,1326 6.207,1327 79.13,1328 79.13,1329 12,1330 12.111,1331 3.322,1332 2.807,1333 33.4,1334 50,1335 46,1336 0.341,1337 137.336,1338 239.03,1339 326.86,1340 3040,1341 7.4,1342 13.991,1343 0.736,1344 0.689,1345 15.991,1346 13.096,1347 9.062,1348 0.453,1349 0.328,1350 4.906,1351 7.436,1352 4.671,1353 3.893,1354 10.217,1355 6.559,1356 7.952,1357 0.284,1358 0.176,1359 9.361,1360 4.923,1361 7.057,1362 0.191,1363 0.109,1364 9.299,1365 4.051,1366 5.187,1367 0.115,1368 0.04,1369 6.071,1370 1.783,1371 4.108,1372 0.073,1373 0.02,1374 4.792,1375 1.131,1376 0.508,1377 75.732,1378 0.282,1379 18.512,1380 1.017,1381 96,1382 413.096,1383 244.677,1384 455.403,1385 588.59,1386 422,1387 113,1388 373.346,1389 239.722,1390 397.711,1391 583.81,1392 368,1393 4.303}
{0 CHEMBL1364723,1 1.921,2 7.579,3 2.794,4 7.806,5 79.291,6 9.693,7 0.3,8 3.599,9 3.661,10 3.677,11 3.288,12 4.622,13 3.189,14 4.162,15 4.292,16 4.017,17 3.701,18 5.508,19 3.567,20 4.381,21 4.479,22 4.162,23 3.869,24 5.623,25 3.726,26 4.592,27 4.758,28 3.944,29 3.775,30 6.075,31 3.633,32 4.449,33 4.671,34 3.748,35 3.577,36 5.682,37 3.421,38 4.104,39 4.234,40 3.53,41 3.348,42 5.615,43 3.251,44 3.946,45 4.152,46 3.18,47 3.179,48 5.061,49 3.007,50 3.671,51 3.916,52 2.838,53 2.893,54 4.734,55 2.674,56 0.106,57 0.489,58 7.839,59 3.781,60 18.262,61 3.77,62 0.39,63 0.799,64 17.804,65 7.143,66 46.847,67 7.102,68 0.341,69 0.975,70 25.079,71 9.534,72 52.352,73 8.481,74 0.796,75 1.085,76 33.164,77 10.789,78 141.732,79 9.845,80 0.638,81 0.932,82 37.833,83 10.184,84 96.623,85 9.355,86 0.565,87 0.612,88 19.534,89 6.321,90 88.047,91 5.607,92 0.321,93 0.51,94 15.236,95 5.161,96 54.69,97 5.806,98 0.228,99 0.369,100 13.22,101 4.152,102 27.71,103 5.408,104 37,105 30,106 0.359,107 0.629,108 0.741,109 0.775,110 0.809,111 0.809,112 3.011,113 1.31,114 -3.12,115 -3.11,116 -3,119 36.4,120 2,125 2,135 2,141 4,143 2,171 5,173 4,174 1,182 6,186 9,194 5,198 2,199 11,213 7,221 2,226 7,234 6,247 6,251 1,259 3,271 2,274 413,275 11.911,276 11.911,277 11.911,278 11.911,279 11.911,280 10.35,281 12.549,282 6.662,283 12.319,284 9.787,285 9.787,286 9.787,287 9.787,288 9.787,289 7.433,290 11.245,291 3.117,292 10.52,293 3.124,294 1.673,295 1.076,296 0.894,297 0.712,298 0.712,299 3.652,302 1,304 1,305 1,306 1,307 294,308 3,312 127.723,319 1.18,320 35.046,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 41.833,332 144,333 4.955,334 4.738,335 7.721,336 4.48,337 3.551,338 4.772,339 1.571,340 13.889,341 3.277,342 4.168,343 4.069,344 6.119,345 3.762,346 2.801,347 3.554,348 0.857,349 8.643,350 2.693,351 3.853,352 2.942,353 5.683,354 3.358,355 2.426,356 3.394,358 7.014,359 2.242,360 3.538,361 2.9,362 5.086,363 3.053,364 2.134,365 2.739,367 6.091,368 1.903,369 3.068,370 2.33,371 4.755,372 2.588,373 1.664,374 2.253,376 4.775,377 1.492,378 2.525,379 1.672,380 4.246,381 2.319,382 1.35,383 1.5,385 3.786,386 1.282,387 2.5,388 1.136,389 3.414,390 2,391 1,392 1.5,394 2.275,395 1,396 1.679,397 1,398 3.31,399 1.349,400 0.394,401 0.449,403 0.96,404 0.372,405 1.119,406 0.528,407 2.698,408 0.589,409 -0.226,410 -0.284,412 -0.497,413 -0.148,414 1,415 0.171,416 2.634,417 0.436,418 -0.502,419 -0.555,421 -1.243,422 -0.459,423 0.755,424 -0.17,425 2.284,426 0.19,427 -0.805,428 -0.932,430 -2.098,431 -0.798,432 0.5,433 -0.409,434 2,436 -1,437 -1.5,439 -3,440 -0.887,441 0.377,442 -0.583,443 2,445 -1,446 -1.535,448 -3,449 -1,451 -1,452 1.65,453 -0.402,454 -1.247,455 -1.655,457 -3.065,458 -1,459 -0.006,460 -1,461 1.49,462 -0.532,463 -1.383,464 -1.867,466 -3.836,467 -1.328,468 9.781,469 0.515,470 0.767,471 0.04,472 22.75,473 1.197,474 11.5,475 0.605,476 11.25,477 0.592,478 16.423,479 0.864,480 21.419,481 0.649,482 16.005,483 0.842,484 4.099,485 0.216,486 4.72,487 0.248,488 0.278,489 0.085,490 0.331,493 0.366,494 1.422,495 0.721,496 1.262,497 0.625,498 0.949,499 0.49,500 0.927,501 0.696,502 0.775,503 0.522,504 0.772,505 1.004,506 1.439,507 1.27,508 1.463,509 1.003,510 1.213,511 1.342,512 1.078,513 1.114,514 1.082,515 1.302,516 1.052,517 1.327,518 0.761,519 0.903,520 0.851,521 1.355,522 0.706,523 1.415,524 0.952,525 1.098,526 1.089,527 1.603,528 1.103,529 1.03,530 0.86,531 0.565,532 0.631,533 1.159,534 1.046,535 0.377,536 0.91,537 0.88,538 0.85,539 0.249,540 1.168,541 6,543 3.778,544 2.125,545 1.467,546 0.819,547 0.344,548 0.248,549 0.094,550 0.051,551 2676,552 10239,553 1.894,554 42.4,555 6,556 8,564 1.608,565 1.689,566 2.904,567 -0.621,569 1,571 1,573 63.388,574 1.921,575 3.371,576 3.968,577 4.15,578 4.332,579 4.332,580 2.439,581 3.577,582 4.219,583 2.987,584 510.799,585 7.211,586 4845.92,587 1,588 1,589 1,590 1,591 166.465,592 1.799,593 4.109,594 0.3,596 0.126,597 0.066,598 0.054,599 0.037,600 0.019,601 0.023,602 0.013,603 0.017,604 0.656,605 0.5,606 1,607 0.749,608 80.547,609 0.178,610 -0.245,611 0.188,612 -0.159,613 -0.127,614 0.002,615 0.281,616 0.187,617 0.172,618 0.214,619 0.202,620 0.162,621 -0.103,622 -0.322,623 -0.169,624 -0.297,625 -0.088,626 -0.253,627 -0.112,628 -0.077,629 -0.167,630 -0.082,631 0.045,632 -0.125,633 -0.197,634 0.221,635 0.062,636 0.189,637 -0.119,638 0.288,639 -0.101,640 -0.023,641 -0.208,642 -0.166,643 -0.123,644 -0.203,645 -0.141,646 -0.037,647 0.089,648 0.09,649 -0.221,650 -0.102,651 0.235,652 -0.149,653 0.06,654 -0.111,655 0.133,656 -0.126,657 4.661,658 5.428,659 0.632,660 11.485,661 1.023,662 1.116,663 1.889,664 3.567,665 0.723,666 3.045,667 3.434,668 3.664,669 3.829,670 4.025,671 4.007,672 3.829,673 3.689,674 3.555,675 3.434,676 4.451,677 0.668,678 319.86,679 3.045,680 4.615,681 5.468,682 6.368,683 7.246,684 8.149,685 9.035,686 9.941,687 10.83,688 11.738,689 3,692 1,707 4,712 2,714 6,732 1,733 33,735 10,736 1,737 20,739 34,740 12,741 6,742 2,743 4,747 2,748 2,749 1,753 2,762 8,763 4,766 4,769 1,771 3,775 2,776 1,778 1,779 1,782 14,783 4,785 7,786 3,791 1,796 1,797 3,816 2,836 2,845 2,848 2,850 2,851 1,854 19,858 2,862 2,868 1,877 1,878 9.1,881 3,885 11.25,886 6.51,887 4.056,888 1.779,890 1.511,891 1.248,892 0.972,893 4.162,894 7.607,895 3.332,896 3.98,897 4.385,898 4.799,899 5.227,900 5.386,901 5.355,902 5.275,903 5.373,904 5.474,905 1,906 32,907 7.365,909 3.474,910 8.18,911 13.257,913 11.168,915 2.68,916 50.917,917 0.001,920 164.795,921 94.685,923 39.149,924 66.469,926 24.702,927 69.983,928 270.414,930 17.65,931 3.005,932 62.607,933 66.469,934 11.422,936 164.795,937 39.149,938 164.795,939 69.983,940 66.469,941 63.85,943 164.795,944 66.469,947 20.656,948 49.327,949 44.956,950 18.894,951 164.795,952 66.469,953 133.834,955 5.807,956 183.69,957 14.428,958 55.555,960 105.618,961 164.795,962 66.469,963 133.834,965 0.61,966 0.357,967 0.168,968 0.094,969 15,970 8,971 0.059,972 2,974 1,975 2.905,976 139.644,978 12,979 74.711,983 1,984 1,985 14.728,986 5.369,987 2.92,989 66.469,990 5.87,995 0.572,998 365.098,999 27,1002 -3.744,1004 36.892,1008 1.929,1009 -1.55,1011 33.745,1012 36.817,1013 0.381,1014 0.668,1015 0.787,1016 0.823,1017 0.859,1018 0.859,1019 4.61,1020 0.394,1021 5.549,1022 2.275,1023 4.111,1024 4.663,1025 2.002,1026 6.466,1027 3.974,1028 5.895,1029 -0.226,1030 7.204,1031 0.96,1032 4.111,1033 4.956,1035 7.867,1036 3.867,1037 7.289,1038 -0.502,1039 8.98,1040 -0.497,1041 5.878,1042 7.019,1043 2.658,1044 10.949,1045 5.6,1046 8.722,1047 -0.805,1048 10.829,1049 -1.243,1050 6.635,1051 8.068,1053 13.175,1054 6.251,1055 10.19,1056 -1,1057 12.727,1058 -2.098,1059 8.021,1060 9.758,1061 3.462,1062 15.928,1063 7.591,1064 11.684,1065 -1,1066 14.661,1067 -3,1068 9.08,1069 11.106,1071 18.429,1072 8.551,1073 13.197,1074 -1.247,1075 16.621,1076 -3,1077 10.36,1078 12.693,1079 4.329,1080 21.096,1081 9.768,1082 3.551,1083 -1.383,1084 18.602,1085 -3.065,1086 11.539,1087 14.163,1089 23.685,1090 10.854,1091 2.801,1092 13.889,1093 20.597,1094 -3.836,1095 12.795,1096 15.725,1097 5.219,1098 26.327,1099 12.036,1100 2.426,1101 8.643,1102 22.605,1103 4.772,1104 14.022,1105 17.246,1107 28.945,1108 13.173,1109 2.134,1110 7.014,1111 24.621,1112 3.554,1113 15.277,1114 18.804,1115 6.117,1116 31.579,1117 14.348,1118 1.664,1119 6.091,1120 26.643,1121 3.394,1122 16.524,1123 20.347,1125 34.205,1126 15.509,1127 1.35,1128 4.775,1129 28.671,1130 2.739,1131 17.782,1132 21.905,1133 7.019,1134 36.838,1135 16.684,1136 1,1137 3.786,1138 30.702,1139 2.253,1140 19.038,1141 23.458,1143 39.467,1144 17.856,1145 2808,1146 5645,1147 12.137,1148 23.852,1149 30.973,1150 33.11,1151 32.67,1152 30.861,1153 30.641,1154 40.323,1155 4.856,1156 94.865,1157 28.519,1158 5.873,1159 6.738,1160 7.136,1161 5.558,1162 5.551,1163 7.772,1164 3.142,1165 22.147,1166 5.277,1167 12.211,1168 1.549,1169 1.655,1170 1.633,1171 1.543,1172 1.532,1173 2.016,1174 0.243,1175 4.743,1176 1.426,1177 4.107,1178 4.082,1179 4.793,1180 4.105,1181 7.716,1182 4.004,1183 3.843,1184 3.866,1185 4.209,1186 3.805,1187 7.395,1188 3.763,1189 3.58,1190 3.557,1191 3.917,1192 3.526,1193 6.999,1194 3.445,1195 3.24,1196 3.267,1197 3.495,1198 3.203,1199 4.928,1200 3.075,1201 3.086,1202 3.152,1203 3.157,1204 2.896,1205 4.425,1206 2.857,1207 2.854,1208 2.925,1209 2.849,1210 2.735,1211 4.256,1212 2.715,1213 2.81,1214 2.918,1215 2.687,1216 2.608,1217 3.735,1218 2.573,1219 2.635,1220 2.653,1221 2.514,1222 2.493,1223 3.674,1224 2.453,1225 0.248,1226 0.237,1227 0.386,1228 0.224,1229 0.178,1230 4.955,1231 0.239,1232 4.738,1233 0.079,1234 7.721,1235 0.694,1236 4.48,1237 0.164,1238 3.551,1239 4.772,1240 1.571,1241 13.889,1242 3.277,1243 1.974,1244 1.987,1245 1.981,1246 2.038,1247 1.318,1248 2.087,1249 1.828,1250 1.802,1251 1.942,1252 1.916,1253 1.126,1254 1.947,1255 1.418,1256 1.451,1257 1.561,1258 1.559,1259 0.725,1260 1.609,1261 1.197,1262 1.148,1263 1.388,1264 1.415,1265 0.684,1266 1.478,1267 1.047,1268 0.997,1269 1.257,1270 1.247,1271 0.502,1272 1.321,1273 0.886,1274 0.821,1275 1.181,1276 1.102,1277 0.37,1278 1.16,1279 0.833,1280 0.728,1281 0.98,1282 1.062,1283 0.218,1284 1.107,1285 0.544,1286 0.525,1287 0.517,1288 0.734,1290 0.77,1291 3.714,1293 5.081,1295 6.65,1297 8.308,1299 10.012,1301 3.732,1302 5.743,1307 0.433,1313 1.04,1318 22.055,1319 63.388,1320 111.246,1321 130.955,1322 136.955,1323 142.955,1324 142.955,1325 53.16,1326 6.096,1327 54.45,1328 82.04,1329 12,1330 12.258,1331 3.459,1332 3,1333 33.468,1334 49,1335 55,1336 0.347,1337 148.76,1338 259.58,1339 354.734,1340 2594,1341 3,1342 14.207,1343 0.748,1344 0.683,1345 15.245,1346 12.979,1347 8.819,1348 0.441,1349 0.437,1350 5.845,1351 6.957,1352 5.319,1353 4.44,1354 10.556,1355 8.735,1356 8.788,1357 0.293,1358 0.278,1359 11.346,1360 8.349,1361 7.051,1362 0.186,1363 0.189,1364 9.866,1365 7.178,1366 5.192,1367 0.115,1368 0.118,1369 7.995,1370 5.295,1371 4,1372 0.073,1373 0.075,1374 6.334,1375 4.143,1376 0.515,1377 72.666,1378 0.287,1379 18.517,1380 1.04,1381 100,1382 346.776,1383 198.669,1384 402.544,1385 520.7,1386 364,1387 118,1388 300.127,1389 221.048,1390 376.296,1391 543.52,1392 348,1393 4.589}
{0 CHEMBL1365425,1 2.03,2 6.684,3 4.034,4 16.269,5 77.675,6 12.007,7 0.762,8 3.432,9 3.491,10 3.452,11 3.148,12 4.701,13 3.111,14 3.875,15 3.971,16 3.898,17 3.526,18 5.133,19 3.47,20 3.975,21 4.061,22 4.175,23 3.661,24 5.24,25 3.537,26 3.935,27 4.015,28 4.023,29 3.492,30 5.248,31 3.383,32 3.721,33 3.842,34 3.503,35 3.243,36 4.98,37 3.172,38 3.677,39 3.77,40 3.622,41 3.278,42 4.95,43 3.232,44 3.814,45 3.941,46 3.755,47 3.154,48 5.262,49 3.111,50 3.489,51 3.706,52 2.174,53 2.541,54 4.533,55 2.345,56 0.131,57 0.365,58 0.059,59 1.703,60 5.113,61 1.658,62 0.245,63 0.597,64 3.188,65 3.267,66 13.472,67 3.101,68 0.289,69 0.625,70 12.265,71 4.455,72 17.67,73 3.649,74 0.408,75 0.616,76 15.23,77 5.051,78 24.641,79 3.514,80 0.275,81 0.499,82 11.415,83 3.615,84 20.139,85 2.421,86 0.181,87 0.417,88 0.311,89 2.241,90 9.469,91 2.311,92 0.447,93 0.43,94 8.846,95 3.458,96 27.065,97 3.338,98 0.321,99 0.335,100 13.623,101 3.254,102 22.296,103 3.044,104 10,105 30,106 0.393,107 0.734,108 0.794,109 0.814,110 0.814,111 0.814,112 3.012,113 0.99,114 -5.14,115 -5.03,116 -4.71,119 46.2,120 1,141 3,142 1,143 3,145 1,146 1,147 1,159 1,164 1,171 2,173 2,174 6,182 5,185 1,186 1,194 6,198 2,199 5,207 5,213 4,221 4,226 1,234 1,239 12,247 4,251 3,259 1,274 386,275 12.776,276 12.776,277 12.776,278 12.776,279 12.776,280 10.717,281 7.297,282 7.399,283 13.338,284 10.333,285 10.333,286 10.333,287 10.333,288 10.333,289 7.365,290 5.057,291 3.462,292 11.4,293 2.67,294 0.904,295 0.597,296 0.491,297 0.491,298 0.491,299 3.687,302 2,305 1,306 1,307 274,308 2.121,311 35.112,312 98.885,315 66.197,319 0.925,320 17.731,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 41.167,332 127,333 4.624,334 4.618,335 6.778,336 4.134,337 3.184,338 4.584,339 2.95,340 11.094,341 3.042,342 4.318,343 3.489,344 6.39,345 3.83,346 2.938,347 3.986,349 9.655,350 2.538,351 3.488,352 2.918,353 5.201,354 2.997,355 2.106,356 2.868,358 6.231,359 1.859,360 3.342,361 2.623,362 4.929,363 2.852,364 1.907,365 2.702,367 5.353,368 1.799,369 3.232,370 2.33,371 4.841,372 2.707,373 1.879,374 2.481,376 5.104,377 1.441,378 2.88,379 2.037,380 4.022,381 2.393,382 1.429,383 2.047,385 3.421,386 1.366,387 2.644,388 1.3,389 3.834,390 2.105,391 1.176,392 1.711,394 2.804,395 1.09,396 2.271,397 1.259,398 3.388,399 1.786,400 0.843,401 1.177,403 2.05,404 0.781,405 1.63,406 1.054,407 2.987,408 1.176,409 0.407,410 0.479,412 0.972,413 0.279,414 1,415 0.479,416 2.378,417 0.489,418 -0.347,419 -0.429,421 -0.757,422 -0.229,423 0.985,424 0.173,425 2.352,426 0.473,427 -0.348,428 -0.445,430 -0.896,431 -0.258,432 0.782,433 -0.164,434 2.199,435 0.387,436 -0.574,437 -0.746,439 -1.356,440 -0.552,441 0.315,442 -0.353,443 2,444 -0.193,445 -1.049,446 -1.346,448 -2.796,449 -0.763,450 0.128,451 -0.967,452 1.849,453 -0.305,454 -1.222,455 -1.678,457 -3.188,458 -1.063,459 0.044,460 -1.141,461 1.386,462 -0.508,463 -1.284,464 -1.783,466 -3.532,467 -1.195,468 9.795,469 0.516,470 0.507,471 0.027,472 27.25,473 1.434,474 14.5,475 0.763,476 12.75,477 0.671,478 13.943,479 0.734,480 19.005,481 0.731,482 15.859,483 0.835,484 5.268,485 0.277,486 3.897,487 0.205,488 0.197,490 0.357,493 0.622,494 1.037,495 0.524,496 0.69,497 0.616,498 0.676,499 0.723,500 0.924,501 0.623,502 0.699,503 0.678,504 0.621,505 1.03,506 0.995,507 0.933,508 0.885,509 1.043,510 0.823,511 1.249,512 1.221,513 1.322,514 1.421,515 1.07,516 1.102,517 1.073,518 0.964,519 1.414,520 1.294,521 1.169,522 1.107,523 0.992,524 1.141,525 0.751,526 0.731,527 1.012,528 0.926,529 0.81,530 1.058,531 1.065,532 1.168,533 0.791,534 1.21,535 1.737,536 0.902,537 1.704,538 1.358,539 1.931,540 1.807,541 3.5,543 2.667,544 1.722,545 0.947,546 0.441,547 0.442,548 0.231,549 0.03,551 3016,552 12291,553 2.081,554 26.9,556 3,558 1,560 3,564 1.608,565 1.932,566 2.769,567 -0.621,573 52.786,574 2.03,575 3.796,576 4.104,577 4.21,578 4.21,579 4.21,580 2.076,581 3.471,582 4.228,583 2.88,584 492.448,585 7.22,586 4822.88,588 1,590 1,591 122.211,592 1.462,593 4.171,594 0.167,596 0.089,597 0.057,598 0.038,599 0.022,600 0.02,601 0.012,602 0.007,604 0.413,605 0.33,606 1,607 0.644,608 80.531,609 0.062,610 -0.059,611 0.003,612 0.026,613 -0.032,614 -0.005,615 0.05,616 0.093,617 0.092,618 0.171,619 0.051,620 0.194,621 -0.134,622 0.023,623 0.138,624 0.199,625 -0.132,626 0.067,627 -0.088,628 -0.199,629 -0.124,630 -0.2,631 -0.012,632 -0.166,633 -0.227,634 0.124,635 -0.431,636 -0.323,637 -0.225,638 -0.227,639 -0.145,640 -0.28,641 -0.013,642 -0.077,643 -0.146,644 -0.138,645 0.45,646 -0.205,647 0.055,648 -0.324,649 0.488,650 -0.221,651 -0.522,652 -0.057,653 -0.54,654 -0.337,655 -0.677,656 -0.519,657 1.21,658 2.045,659 0.789,660 10.299,661 1.039,662 1.106,663 3.906,664 15.258,665 0.812,666 3.091,667 3.434,668 3.738,669 4.007,670 4.143,671 4.159,672 4.234,673 4.263,674 4.22,675 4.143,676 4.386,677 0.777,678 312.19,679 3.091,680 4.635,681 5.501,682 6.392,683 7.273,684 8.168,685 9.054,686 9.95,687 10.838,688 11.735,689 11.5,699 3,706 2,707 4,708 3,710 1,712 5,714 16,732 2,733 26,735 16,736 1,737 21,739 28,740 12,741 11,742 3,743 3,747 3,748 4,749 2,753 1,762 11,763 1,779 1,782 7,783 4,785 7,786 3,790 1,791 3,796 0.667,797 1,810 1,815 1,816 2,819 1,845 2,846 1,848 1,850 1,851 2,854 19,866 1,877 2,878 3.8,883 1,885 9.833,886 5.302,887 4.139,888 1.464,890 3.205,891 1.484,892 1.003,893 3.456,894 9.825,895 3.401,896 4.09,897 4.742,898 5.36,899 5.828,900 6.085,901 6.451,902 6.846,903 6.993,904 7.244,905 1,906 30,907 6.926,909 2.935,910 7.827,911 12.949,913 10.432,915 2.327,916 44.222,917 0.001,920 82.398,921 97.503,922 53.168,923 78.297,924 9.734,926 32.22,927 65.283,928 170.429,929 53.168,930 8.825,932 28.429,933 69.346,934 32.234,935 1.122,936 102.846,937 78.297,938 82.398,939 118.451,940 9.734,941 110.517,943 82.398,944 9.734,947 24.608,948 40.676,949 131.465,950 32.22,951 82.398,952 62.902,953 175.8,956 82.398,957 51.63,958 45.873,960 141.199,961 82.398,962 62.902,963 175.8,965 0.59,966 0.358,967 0.197,968 0.097,969 16,970 7,971 0.071,972 2,973 1,974 1.133,975 3.08,976 144.765,977 0.133,978 15,979 74.711,981 1,985 12.881,986 5.098,987 2.347,988 1.238,989 62.902,990 6.804,991 12.168,993 5.107,995 3.378,998 321.1,999 29,1011 27.007,1012 28.758,1013 0.432,1014 0.808,1015 0.873,1016 0.896,1017 0.896,1018 0.896,1019 4.625,1020 0.843,1021 5.501,1022 2.804,1023 4.111,1024 4.775,1025 2.913,1026 6.347,1027 3.918,1028 5.869,1029 0.407,1030 7.086,1031 2.05,1032 3.761,1033 4.691,1035 7.338,1036 3.42,1037 7.202,1038 -0.347,1039 8.774,1040 0.972,1041 5.733,1042 7.1,1043 5.027,1044 10.464,1045 5.391,1046 8.576,1047 -0.348,1048 10.523,1049 -0.757,1050 6.217,1051 7.871,1053 12.304,1054 5.754,1055 9.983,1056 -0.574,1057 12.312,1058 -0.896,1059 7.673,1060 9.744,1061 7.185,1062 14.943,1063 7.202,1064 11.415,1065 -1.049,1066 14.128,1067 -1.356,1068 8.531,1069 10.913,1071 17.114,1072 7.972,1073 12.867,1074 -1.222,1075 15.963,1076 -2.796,1077 9.789,1078 12.57,1079 9.348,1080 19.588,1081 9.208,1082 3.184,1083 -1.284,1084 17.813,1085 -3.188,1086 10.811,1087 13.924,1089 21.889,1090 10.164,1091 2.938,1092 11.094,1093 19.675,1094 -3.532,1095 11.994,1096 15.491,1097 11.511,1098 24.306,1099 11.315,1100 2.106,1101 9.655,1102 21.544,1103 4.584,1104 13.083,1105 16.929,1107 26.659,1108 12.352,1109 1.907,1110 6.231,1111 23.421,1112 3.986,1113 14.238,1114 18.46,1115 13.675,1116 29.056,1117 13.472,1118 1.879,1119 5.353,1120 25.302,1121 2.868,1122 15.357,1123 19.937,1125 31.432,1126 14.547,1127 1.429,1128 5.104,1129 27.187,1130 2.702,1131 16.503,1132 21.455,1133 15.838,1134 33.825,1135 15.656,1136 1.176,1137 3.421,1138 29.076,1139 2.481,1140 17.635,1141 22.95,1143 36.212,1144 16.747,1145 2967,1146 6118,1147 13.929,1148 21.119,1149 32.002,1150 34.975,1151 33.31,1152 31.933,1153 31.739,1154 44.07,1155 5.9,1156 93.369,1157 28.388,1158 5.4,1159 6.618,1160 6.324,1161 5.287,1162 5.184,1163 7.584,1164 5.9,1165 17.996,1166 5.042,1167 8.715,1168 1.524,1169 1.665,1170 1.586,1171 1.521,1172 1.511,1173 2.099,1174 0.281,1175 4.446,1176 1.352,1177 4.056,1178 4.075,1179 4.226,1180 3.954,1181 5.324,1182 3.943,1183 3.871,1184 3.882,1185 4.005,1186 3.804,1187 5.002,1188 3.808,1189 3.328,1190 3.405,1191 3.582,1192 3.134,1193 4.684,1194 3.127,1195 3.003,1196 3.035,1197 3.458,1198 2.941,1199 4.632,1200 2.876,1201 2.901,1202 2.929,1203 3.152,1204 2.849,1205 4.115,1206 2.815,1207 2.88,1208 2.918,1209 3.059,1210 2.611,1211 4.037,1212 2.636,1213 2.609,1214 2.647,1215 2.732,1216 2.492,1217 3.685,1218 2.47,1219 2.058,1220 2.142,1221 2.315,1222 1.773,1223 3.367,1224 1.791,1225 0.22,1226 0.22,1227 0.323,1228 0.197,1229 0.152,1230 4.624,1231 0.218,1232 4.618,1233 0.14,1234 6.778,1235 0.528,1236 4.134,1237 0.145,1238 3.184,1239 4.584,1240 2.95,1241 11.094,1242 3.042,1243 1.884,1244 1.876,1245 1.907,1246 1.957,1247 1.082,1248 1.957,1249 1.771,1250 1.745,1251 1.839,1252 1.882,1253 0.97,1254 1.881,1255 1.366,1256 1.303,1257 1.588,1258 1.661,1259 0.582,1260 1.637,1261 0.912,1262 0.903,1263 1,1264 1.186,1265 0.156,1266 1.122,1267 0.849,1268 0.827,1269 0.96,1270 0.962,1271 0.105,1272 1.004,1273 0.742,1274 0.709,1275 0.881,1276 0.95,1277 0.001,1278 0.991,1279 0.666,1280 0.592,1281 0.817,1282 0.86,1284 0.889,1285 0.243,1286 0.195,1287 0.298,1288 0.475,1290 0.453,1291 3.761,1293 5.094,1294 2.398,1295 6.629,1296 4.727,1297 8.26,1298 6.823,1299 9.938,1301 1.841,1302 12.313,1311 1.374,1318 20.202,1319 52.786,1320 98.702,1321 106.702,1322 109.457,1323 109.457,1324 109.457,1325 24.28,1326 6.62,1327 51.81,1328 77.11,1329 17,1330 12.261,1331 4.087,1332 3.17,1333 27.639,1334 50,1335 39,1336 0.28,1337 135.382,1338 218.62,1339 322.093,1340 5773,1341 7.7,1342 13.405,1343 0.706,1344 0.634,1345 14.759,1346 12.052,1347 9.165,1348 0.436,1349 0.33,1350 5.414,1351 7.858,1352 5.129,1353 4.235,1354 10.15,1355 6.927,1356 8.368,1357 0.279,1358 0.186,1359 9.725,1360 5.593,1361 7.244,1362 0.177,1363 0.11,1364 9.007,1365 4.527,1366 6.187,1367 0.115,1368 0.06,1369 7.919,1370 3.235,1371 4.573,1372 0.074,1373 0.033,1374 5.965,1375 2.025,1376 0.418,1377 67.692,1378 0.268,1379 18.496,1380 0.834,1381 102,1382 355.938,1383 168.089,1384 424.092,1385 562.67,1386 394,1387 122,1388 363.421,1389 186.67,1390 399.294,1391 586.81,1392 374,1393 4.303}
{0 CHEMBL1367622,1 1.754,2 11.364,3 4.23,4 17.89,5 97.835,6 9.956,7 0.522,8 3.72,9 3.834,10 3.538,11 3.332,12 4.869,13 3.281,14 4.172,15 4.327,16 3.912,17 3.654,18 5.282,19 3.578,20 4.349,21 4.523,22 4.069,23 3.756,24 5.44,25 3.632,26 4.335,27 4.547,28 3.873,29 3.638,30 5.331,31 3.48,32 4.191,33 4.409,34 3.743,35 3.53,36 5.175,37 3.384,38 4.047,39 4.23,40 3.884,41 3.552,42 5.099,43 3.417,44 4.096,45 4.27,46 3.867,47 3.631,48 5.136,49 3.437,50 4.059,51 4.273,52 3.961,53 3.468,54 5.049,55 3.249,56 0.052,57 0.53,58 4.524,59 3.191,60 6.697,61 3.915,62 0.161,63 0.813,64 11.336,65 5.296,66 16.35,67 6.322,68 0.203,69 0.927,70 23.684,71 7.793,72 25.226,73 8.696,74 0.223,75 0.888,76 26.029,77 7.98,78 28.295,79 8.612,80 0.237,81 0.758,82 34.515,83 7.04,84 23.573,85 7.65,86 0.168,87 0.669,88 14.01,89 5.578,90 15.718,91 6.739,92 0.141,93 0.708,94 27.086,95 7.143,96 16.536,97 7.883,98 0.158,99 0.661,100 34.276,101 7.001,102 19.267,103 7.405,104 15,105 29,106 0.316,107 0.631,108 0.767,109 0.862,110 0.875,111 0.875,112 3.145,113 1.025,114 -4.83,115 -4.74,116 -4.45,117 1,119 42.1,124 1,125 1,141 8,142 2,143 2,153 1,157 1,167 1,171 9,174 3,178 1,182 9,186 7,189 1,191 1,194 6,199 4,204 2,207 2,213 2,218 2,221 5,225 1,231 3,234 9,242 1,244 1,247 9,251 1,256 1,259 5,264 2,267 1,269 1,271 1,274 676,275 14.922,276 14.922,277 14.922,278 14.922,279 14.922,280 13.057,281 13.658,282 9.158,283 15.409,284 11.288,285 11.288,286 11.288,287 11.288,288 11.288,289 8.497,290 11.766,291 4.312,292 12.129,293 3.494,294 1.74,295 0.987,296 0.461,297 0.388,298 0.388,299 3.81,305 1,306 1,307 513,308 3.317,312 164.86,319 2.182,320 11.83,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 46.25,332 250,333 4.253,334 3.766,335 6.072,336 3.8,337 2.876,338 3.908,339 1.737,340 8.778,341 2.648,342 3.895,343 3.265,344 5.346,345 3.503,346 2.514,347 3.443,348 1.151,349 6.987,350 2.486,351 3.701,352 2.788,353 5.243,354 3.265,355 2.365,356 2.998,357 0.142,358 6.609,359 2.133,360 3.562,361 2.465,362 4.98,363 3.133,364 2.21,365 2.788,367 5.869,368 1.983,369 2.944,370 2.108,371 4.196,372 2.511,373 1.566,374 2.109,376 3.834,377 1.486,378 2.83,379 1.661,380 3.635,381 2.331,382 1.414,383 1.962,385 3.123,386 1.188,387 2.716,388 1.578,389 3.418,390 2.11,391 1.171,392 1.628,394 2.473,395 1.093,396 2.5,397 1.178,398 3.247,399 2,400 1,401 1.5,403 2.136,404 1,405 1.946,406 1.038,407 3.154,408 1.634,409 0.73,410 0.857,412 1.658,413 0.644,414 1.512,415 1,416 2.719,417 1.239,418 0.34,419 0.383,421 0.52,422 0.303,423 1.294,424 0.543,425 2.429,426 0.901,432 1.076,433 0.409,434 2.259,435 0.546,436 -0.305,437 -0.379,439 -0.678,440 -0.208,441 0.758,442 -0.17,443 1.947,444 0.28,445 -0.617,446 -0.788,448 -1.43,449 -0.5,450 0.638,451 -0.467,452 1.707,453 0.13,454 -0.809,455 -1.127,457 -1.948,458 -0.745,459 0.5,460 -0.701,461 1.555,463 -1,464 -1.5,466 -2.347,467 -1,468 11.7,469 0.532,470 0.4,471 0.018,472 28,473 1.273,474 15,475 0.682,476 13,477 0.591,478 16.872,479 0.767,480 22.5,481 0.592,482 17.565,483 0.798,484 5.823,485 0.265,486 4.863,487 0.221,488 0.228,490 0.214,493 0.86,494 1.013,495 0.494,496 0.711,497 0.79,498 0.806,499 1.182,500 0.998,501 0.608,502 0.778,503 0.923,504 0.856,505 1.008,506 1.141,507 0.972,508 1.138,509 0.91,510 1.088,511 1.503,512 1.037,513 1.04,514 1.004,515 1.329,516 1.005,517 1.34,518 0.83,519 1.647,520 1.072,521 1.162,522 0.951,523 0.716,524 0.837,525 0.85,526 0.763,527 0.631,528 0.832,529 0.664,530 1.026,531 1.777,532 1.316,533 0.966,534 1.202,535 0.861,536 1.034,537 1.368,538 1.123,539 1.035,540 1.127,541 4,542 0.021,543 2,544 0.75,545 0.724,546 0.604,547 0.264,548 0.255,549 0.205,550 0.066,551 5359,552 17455,553 1.995,554 42.1,556 13,558 1,559 2,564 1.638,565 1.886,566 3.467,567 0.348,569 1,573 66.666,574 1.754,575 3.507,576 4.261,577 4.787,578 4.86,579 4.86,580 2.936,581 4.005,582 4.424,583 3.642,584 841.363,585 7.568,586 9884.04,588 1,590 1,591 199.421,592 1.293,593 4.398,594 0.174,595 0.002,596 0.069,597 0.027,598 0.033,599 0.029,600 0.011,601 0.012,602 0.013,603 0.006,604 0.376,605 0.17,606 1,607 1.608,608 104.554,609 0.012,610 0.054,611 -0.001,612 0.005,613 -0.079,614 0.007,615 -0.06,616 0.027,617 0.022,618 0.017,619 -0.023,620 0.004,621 0.096,622 -0.173,623 -0.01,624 -0.179,625 0.098,626 -0.145,627 -0.217,628 -0.075,629 -0.035,630 -0.015,631 -0.186,632 -0.038,633 -0.172,634 0.126,635 -0.151,636 -0.02,637 -0.134,638 0.046,639 0.156,640 0.106,641 0.096,642 0.165,643 0.189,644 0.133,645 0.037,646 -0.071,647 -0.161,648 -0.144,649 -0.097,650 -0.165,651 0.01,652 -0.104,653 0.082,654 -0.013,655 -0.075,656 -0.09,657 1.196,658 2.3,659 0.545,660 23.521,661 1.003,662 1.115,663 3.603,664 12.981,665 0.732,666 3.178,667 3.401,668 3.555,669 3.664,670 3.829,671 3.784,672 3.784,673 3.85,674 3.912,675 3.892,676 6.662,677 0.676,678 378.32,679 3.178,680 4.654,681 5.442,682 6.256,683 7.06,684 7.88,685 8.693,686 9.517,687 10.334,688 11.163,689 7.9,696 2,698 1,707 8,712 4,714 12,730 1,732 1,733 38,735 14,736 2,737 23,738 1,739 39,740 16,741 12,742 4,743 8,744 1,747 2,748 2,750 1,752 1,762 14,763 2,766 2,772 1,773 1,774 1,775 1,779 1,782 16,783 4,784 2,785 6,786 2,791 3,796 1,797 1,816 2,845 2,848 1,849 1,850 1,854 22,862 1,864 2,865 1,877 1,878 2.6,883 1,885 11.667,886 6.926,887 5.111,888 2.02,890 2.567,891 1.403,892 0.96,893 6.835,894 8.93,895 3.466,896 3.97,897 4.431,898 4.879,899 5.363,900 5.392,901 5.607,902 5.872,903 6.233,904 6.516,905 0.875,906 28,907 8.025,909 3.141,910 7.67,911 15.263,913 11.489,915 2.17,916 47.75,920 164.795,921 157.992,922 98.516,924 11,926 45.192,927 158.754,928 175.795,929 52.562,930 8.396,931 40.491,932 75.81,933 20.819,934 42.333,935 0.285,936 153.024,937 91.146,938 164.795,939 165.362,940 11,941 45.192,942 45.954,943 164.795,944 11,947 57.154,948 99.161,949 9.047,950 91.146,951 164.795,952 63.562,953 203.946,956 164.795,957 19.547,958 93.254,959 81.853,960 72.855,961 164.795,962 63.562,963 203.946,965 0.558,966 0.311,967 0.146,968 0.076,969 11,970 5,971 0.128,972 5,974 1,975 3.575,976 150.329,978 12,979 94.107,982 1,985 16.934,986 8.88,987 5.712,989 63.562,990 15.82,995 3.735,997 35.899,998 432.304,999 31,1005 4.933,1006 1.69,1007 4.036,1008 0.47,1011 38.123,1012 42.372,1013 0.334,1014 0.668,1015 0.812,1016 0.912,1017 0.926,1018 0.926,1019 4.635,1020 1,1021 5.371,1022 2.473,1023 4.078,1024 4.654,1025 2.171,1026 6.043,1027 3.94,1028 5.801,1029 0.73,1030 6.847,1031 2.136,1032 3.434,1033 4.205,1034 1.305,1035 6.676,1036 3.136,1037 7.06,1038 0.34,1039 8.419,1040 1.658,1041 5.541,1042 6.729,1043 2.827,1044 9.676,1045 5.29,1046 8.354,1048 10.047,1049 0.52,1050 5.707,1051 7.07,1052 2.523,1053 11.128,1054 5.283,1055 9.674,1056 -0.305,1057 11.711,1059 7.246,1060 9.057,1061 3.66,1062 13.615,1063 6.875,1064 11.015,1065 -0.617,1066 13.4,1067 -0.678,1068 7.81,1069 9.796,1070 3.713,1071 15.424,1072 7.272,1073 12.37,1074 -0.809,1075 15.107,1076 -1.43,1077 9.088,1078 11.521,1079 4.607,1080 17.72,1081 8.583,1082 2.876,1083 -1,1084 16.828,1085 -1.948,1086 9.865,1087 12.492,1088 4.876,1089 19.704,1090 9.209,1091 2.514,1092 8.778,1093 18.56,1094 -2.347,1095 11.015,1096 14.068,1097 5.625,1098 21.924,1099 10.365,1100 2.365,1101 6.987,1102 20.3,1103 3.908,1104 11.91,1105 15.183,1106 6.017,1107 23.996,1108 11.125,1109 2.21,1110 6.609,1111 22.049,1112 3.443,1113 12.999,1114 16.671,1115 6.682,1116 26.186,1117 12.195,1118 1.566,1119 5.869,1120 23.803,1121 2.998,1122 13.96,1123 17.876,1124 7.143,1125 28.305,1126 13.035,1127 1.414,1128 3.834,1129 25.564,1130 2.788,1131 15.021,1132 19.31,1133 7.761,1134 30.482,1135 14.056,1136 1.171,1137 3.123,1138 27.33,1139 2.109,1140 16.02,1141 20.573,1142 8.261,1143 32.625,1144 14.945,1145 5417,1146 9892,1147 15.197,1148 27.801,1149 32.758,1150 34.436,1151 33.59,1152 32.618,1153 32.371,1154 43.153,1155 6.06,1156 83.972,1157 29.925,1158 5.078,1159 5.766,1160 5.874,1161 4.852,1162 4.876,1163 6.908,1164 3.075,1165 15.035,1166 4.648,1167 10.487,1168 1.424,1169 1.497,1170 1.46,1171 1.418,1172 1.407,1173 1.876,1174 0.263,1175 3.651,1176 1.301,1177 3.96,1178 3.981,1179 6.88,1180 3.901,1181 4.977,1182 3.891,1183 3.868,1184 3.897,1185 3.926,1186 3.822,1187 4.851,1188 3.81,1189 3.586,1190 3.659,1191 3.845,1192 3.444,1193 4.726,1194 3.39,1195 3.312,1196 3.379,1197 3.748,1198 3.123,1199 4.507,1200 3.125,1201 3.156,1202 3.229,1203 3.228,1204 2.977,1205 4.179,1206 2.961,1207 2.903,1208 2.958,1209 2.993,1210 2.852,1211 3.99,1212 2.786,1213 2.869,1214 2.925,1215 2.937,1216 2.8,1217 3.77,1218 2.733,1219 2.854,1220 2.914,1221 2.687,1222 2.735,1223 3.674,1224 2.715,1225 0.185,1226 0.164,1227 0.264,1228 0.165,1229 0.125,1230 4.253,1231 0.17,1232 3.766,1233 0.076,1234 6.072,1235 0.382,1236 3.8,1237 0.115,1238 2.876,1239 3.908,1240 1.737,1241 8.778,1242 2.648,1243 1.921,1244 1.901,1245 2.037,1246 2.013,1247 1.143,1248 2.021,1249 1.872,1250 1.848,1251 1.948,1252 1.946,1253 1.077,1254 1.958,1255 1.475,1256 1.41,1257 1.691,1258 1.743,1259 0.7,1260 1.744,1261 1.245,1262 1.193,1263 1.468,1264 1.511,1265 0.611,1266 1.5,1267 1.122,1268 1.047,1269 1.348,1270 1.373,1271 0.328,1272 1.386,1273 0.888,1274 0.84,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 0.886,1280 0.829,1281 1.094,1282 1.055,1283 0.179,1284 1.097,1285 0.871,1286 0.821,1287 0.986,1288 0.983,1289 0.096,1290 1.034,1291 3.85,1293 5.094,1295 6.526,1297 8.041,1299 9.598,1300 3.51,1301 1.736,1307 0.533,1309 5.486,1310 5.8,1318 25.679,1319 66.666,1320 133.282,1321 161.911,1322 181.911,1323 184.666,1324 184.666,1325 30.196,1326 6.363,1327 45.65,1328 77.74,1329 12,1330 11.74,1331 3.907,1332 3.17,1333 42.574,1334 88,1335 86,1336 0.238,1337 173.466,1338 297.3,1339 415.017,1340 4467,1341 2.6,1342 15.786,1343 0.718,1344 0.657,1345 17.286,1346 14.447,1347 10.686,1348 0.465,1349 0.342,1350 6.653,1351 9.552,1352 6.375,1353 5.36,1354 11.552,1355 7.86,1356 8.942,1357 0.308,1358 0.196,1359 10.092,1360 5.676,1361 7.132,1362 0.21,1363 0.109,1364 8.188,1365 3.715,1366 5.146,1367 0.135,1368 0.059,1369 5.915,1370 2.235,1371 3.917,1372 0.087,1373 0.03,1374 4.404,1375 1.346,1376 0.385,1377 77.794,1378 0.257,1379 22.484,1380 0.62,1381 104,1382 317.561,1383 191.889,1384 370.046,1385 483.74,1386 344,1387 115,1388 307.067,1389 167.852,1390 334.709,1391 477.3,1392 312,1393 5.108}
{0 CHEMBL1368761,1 1.667,2 9.385,3 1.407,4 1.98,5 91.399,6 7.942,7 0.429,8 3.924,9 4.02,10 3.53,11 3.387,12 5.143,13 3.409,14 4.453,15 4.612,16 3.893,17 3.752,18 5.689,19 3.767,20 4.639,21 4.791,22 4.073,23 3.962,24 5.888,25 3.96,26 4.791,27 4.94,28 4.087,29 4.036,30 6.074,31 4.01,32 4.939,33 5.142,34 3.989,35 3.995,36 6.227,37 3.947,38 4.797,39 5.009,40 3.799,41 3.899,42 5.863,43 3.835,44 4.766,45 4.991,46 3.677,47 3.803,48 5.908,49 3.723,50 4.638,51 4.905,52 3.419,53 3.554,54 5.776,55 3.451,56 0.134,57 0.644,58 8.301,59 3.991,60 12.936,61 4.749,62 0.531,63 1.002,64 17.465,65 6.032,66 53.335,67 7.72,68 0.609,69 1.227,70 20.1,71 7.81,72 55.128,73 9.854,74 0.557,75 1.343,76 23.33,77 9.559,78 62.28,79 11.93,80 1.123,81 1.384,82 32.409,83 10.06,84 136.499,85 13.277,86 0.754,87 1.254,88 27.519,89 8.812,90 79.477,91 11.752,92 0.791,93 1.164,94 27.654,95 8.589,96 88.231,97 11.691,98 0.78,99 0.941,100 26.781,101 7.646,102 92.447,103 11.044,104 46,105 40,106 0.288,107 0.645,108 0.795,109 0.811,110 0.834,111 0.849,112 3.305,113 0.865,114 -1.76,115 -1.82,116 -1.84,119 40,120 1,121 1,124 2,125 1,127 1,141 2,142 2,143 2,144 2,145 2,156 2,165 1,169 1,171 4,173 1,174 5,175 1,177 1,182 5,185 5,186 6,187 1,189 1,194 4,198 3,199 7,200 2,202 1,207 2,212 3,213 7,216 2,225 1,226 7,235 3,238 1,239 6,244 3,248 2,250 2,251 3,256 2,260 1,263 2,264 1,265 1,269 1,274 932,275 17.43,276 17.43,277 17.43,278 17.43,279 17.43,280 15.768,281 20.976,282 9.964,283 17.989,284 13.617,285 13.617,286 13.617,287 13.617,288 13.617,289 10.849,290 26.413,291 4.457,292 14.299,293 3.825,294 1.762,295 0.895,296 0.806,297 0.673,298 0.584,299 3.981,304 1,305 1,306 1,307 510,308 3.464,312 214.616,316 110.873,319 1.615,320 37.854,322 1,323 1,324 1,325 1,326 1,327 0.5,328 1,329 1,330 0.93,331 58.5,332 244,333 4.513,334 3.803,335 6.857,336 4.222,337 3.251,338 4.119,339 1.437,340 11.298,341 3.155,342 4.398,343 3.564,344 6.563,345 4.014,346 3.037,347 4.037,348 1.23,349 10.32,350 2.965,351 3.977,352 3.334,353 6.156,354 3.672,355 2.73,356 3.274,357 0.86,358 8.967,359 2.563,360 3.686,361 3.006,362 5.849,363 3.337,364 2.362,365 2.965,366 0.86,367 7.805,368 2.285,369 3.293,370 2.41,371 5.226,372 2.955,373 1.977,374 2.506,375 0.521,376 5.892,377 1.927,378 3.16,379 2.303,380 4.829,381 2.765,382 1.807,383 2.359,385 5.088,386 1.72,387 2.891,388 2.151,389 4.313,390 2.479,391 1.529,392 1.999,394 3.692,395 1.446,396 2.536,397 1.876,398 3.955,399 2.312,400 1.392,401 1.512,403 3.288,404 1.27,405 2.521,406 1.35,407 3.576,408 1.952,409 1,410 1.475,412 2.307,413 0.937,414 2.337,415 1.262,416 3.466,417 1.857,418 0.862,419 1.184,421 2.115,422 0.847,423 1.786,424 1.042,425 3.218,426 1.534,427 0.622,428 0.706,430 1.247,431 0.562,432 1.496,433 0.907,434 2.878,435 1.236,436 0.377,437 0.409,439 0.53,440 0.319,441 1.114,442 0.454,443 2.633,444 0.912,445 -0.066,446 -0.074,448 -0.147,449 -0.064,450 0.926,451 0.348,452 2.399,453 0.568,454 -0.367,455 -0.417,457 -0.721,458 -0.338,459 0.847,460 0.115,461 2.397,462 0.414,463 -0.574,464 -0.776,466 -1.35,467 -0.548,468 11.867,469 0.456,470 0.699,471 0.027,472 33.5,473 1.288,474 16,475 0.615,476 17.5,477 0.673,478 21.424,479 0.824,480 28.933,481 0.643,482 27.306,483 1.05,484 6.904,485 0.266,486 5.568,487 0.214,488 0.211,490 0.413,493 0.815,494 1.485,495 0.723,496 1.237,497 0.672,498 1.006,499 0.935,500 1.026,501 0.756,502 0.783,503 0.535,504 0.721,505 0.716,506 0.973,507 0.814,508 0.972,509 0.668,510 0.922,511 0.848,512 1.337,513 1.012,514 1.401,515 0.944,516 1.288,517 1.07,518 0.971,519 1.084,520 0.981,521 1.026,522 1.033,523 1.072,524 1.002,525 1.137,526 1.021,527 0.932,528 1.078,529 1.026,530 0.992,531 1.119,532 1.036,533 1.04,534 1.087,535 0.893,536 0.782,537 0.906,538 0.83,539 1.114,540 0.867,541 5,542 0.136,543 3.778,544 2.5,545 2.271,546 1.201,547 0.69,548 0.457,549 0.263,550 0.177,551 6832,552 22834,553 1.992,554 42.2,556 11,558 2,559 1,561 5,564 1.695,565 1.814,566 3.225,567 -0.256,568 1,569 1,571 1,573 75,574 1.667,575 3.73,576 4.597,577 4.686,578 4.819,579 4.908,580 2.701,581 4.162,582 4.672,583 3.37,584 1095.13,585 8.118,586 13175.9,588 1,590 1,591 247.133,592 1.549,593 4.601,594 0.179,595 0.01,596 0.094,597 0.053,598 0.05,599 0.031,600 0.021,601 0.016,602 0.013,603 0.01,604 0.477,605 0.33,606 1,607 1.028,608 124.999,609 -0.08,610 -0.283,611 0.041,612 -0.129,613 -0.068,614 -0.035,615 -0.028,616 0.083,617 0.141,618 0.219,619 0.12,620 0.228,621 0.108,622 0.165,623 0.048,624 0.052,625 0.074,626 0.036,627 0.015,628 -0.273,629 -0.138,630 -0.355,631 0.01,632 -0.308,633 -0.006,634 -0.026,635 -0.079,636 -0.018,637 0.06,638 -0.063,639 -0.158,640 -0.021,641 -0.163,642 -0.049,643 -0.131,644 -0.094,645 -0.093,646 -0.058,647 -0.116,648 -0.072,649 -0.078,650 -0.09,651 0.043,652 0.057,653 0.171,654 0.113,655 -0.025,656 0.167,657 2.946,658 5.927,659 0.615,660 21.361,661 1.022,662 1.13,663 0.53,664 0.281,665 0.653,666 3.367,667 3.714,668 4.043,669 4.304,670 4.543,671 4.615,672 4.718,673 4.796,674 4.927,675 4.883,676 5.708,677 0.641,678 357.4,679 3.367,680 4.92,681 5.796,682 6.693,683 7.588,684 8.491,685 9.391,686 10.296,687 11.199,688 12.104,689 6.7,696 1,699 2,707 4,708 2,712 6,714 12,721 1,722 1,730 2,733 45,735 14,736 1,737 28,739 47,740 18,741 10,742 4,743 2,744 2,747 3,748 4,753 1,757 2,760 2,762 12,763 6,766 2,771 2,775 2,778 1,779 1,782 19,783 8,784 1,785 8,791 3,796 0.667,797 5,806 1,816 3,820 1,843 1,845 2,850 3,854 26,861 1,862 2,865 2,867 1,868 1,878 11.1,880 1,881 2,883 2,885 14.333,886 9.133,887 5.889,888 2.549,890 2.414,891 1.332,892 0.92,893 5.209,894 9.685,895 3.611,896 4.19,897 4.779,898 5.302,899 5.805,900 5.952,901 6.19,902 6.334,903 6.687,904 6.847,905 1,906 47,907 9.648,909 4.15,910 8.064,911 17.741,913 14.207,915 2.564,916 66.667,920 211.88,921 100.265,922 36.695,924 114.973,927 100.265,928 326.853,929 36.695,930 30.591,931 7.765,932 18.952,933 155.701,934 62.466,936 188.338,938 211.88,939 136.96,940 114.973,943 153.024,944 173.828,947 40.198,948 63.191,949 33.571,951 211.88,952 151.668,953 100.265,956 211.88,957 32.626,958 70.763,960 148.544,961 211.88,962 151.668,963 100.265,965 0.583,966 0.369,967 0.204,968 0.109,969 19,970 10,971 0.085,972 4,973 1,974 1.125,975 3.552,976 224.584,977 0.125,978 16,979 122.211,985 18.302,986 7.4,987 3.313,989 151.668,990 6.34,991 7.715,995 2.719,997 42.683,998 463.813,999 36,1004 24.266,1008 -1.735,1011 46.011,1012 50.864,1013 0.303,1014 0.679,1015 0.837,1016 0.853,1017 0.878,1018 0.894,1019 4.868,1020 1.392,1021 5.808,1022 3.692,1023 4.394,1024 4.875,1025 2.443,1026 6.683,1027 4.311,1028 6.081,1029 1,1030 7.418,1031 3.288,1032 4.111,1033 4.771,1034 0.325,1035 7.732,1036 4.015,1037 7.405,1038 0.862,1039 9.129,1040 2.307,1041 6.052,1042 7.05,1043 2.756,1044 10.857,1045 5.905,1046 8.764,1047 0.622,1048 10.897,1049 2.115,1050 6.581,1051 7.739,1052 0.74,1053 12.685,1054 6.416,1055 10.156,1056 0.377,1057 12.701,1058 1.247,1059 8.015,1060 9.528,1061 3.242,1062 15.344,1063 7.812,1064 11.569,1065 -0.066,1066 14.527,1067 0.53,1068 8.895,1069 10.573,1070 1.168,1071 17.485,1072 8.669,1073 12.999,1074 -0.367,1075 16.369,1076 -0.147,1077 10.144,1078 12.163,1079 3.829,1080 19.981,1081 9.887,1082 3.251,1083 -0.574,1084 18.223,1085 -0.721,1086 11.177,1087 13.382,1088 1.605,1089 22.259,1090 10.895,1091 3.037,1092 11.298,1093 20.086,1094 -1.35,1095 12.359,1096 14.88,1097 4.471,1098 24.695,1099 12.048,1100 2.73,1101 10.32,1102 21.956,1103 4.119,1104 13.459,1105 16.187,1106 2.049,1107 27.037,1108 13.122,1109 2.362,1110 8.967,1111 23.832,1112 4.037,1113 14.619,1114 17.641,1115 5.145,1116 29.451,1117 14.255,1118 1.977,1119 7.805,1120 25.712,1121 3.274,1122 15.749,1123 18.993,1124 2.494,1125 31.825,1126 15.358,1127 1.807,1128 5.892,1129 27.596,1130 2.965,1131 16.904,1132 20.424,1133 5.837,1134 34.232,1135 16.486,1136 1.529,1137 5.088,1138 29.484,1139 2.506,1140 18.048,1141 21.802,1142 2.938,1143 36.622,1144 17.603,1145 6840,1146 12639,1147 17.918,1148 29.381,1149 42.333,1150 44.094,1151 45.199,1152 41.784,1153 41.891,1154 53.093,1155 9.816,1156 125.1,1157 39.994,1158 5.459,1159 5.803,1160 6.536,1161 5.291,1162 5.251,1163 7.119,1164 2.873,1165 18.987,1166 5.155,1167 15.672,1168 1.512,1169 1.575,1170 1.614,1171 1.492,1172 1.496,1173 1.896,1174 0.351,1175 4.468,1176 1.428,1177 4.038,1178 4.066,1179 3.991,1180 3.944,1181 7.476,1182 3.95,1183 3.87,1184 3.9,1185 3.847,1186 3.708,1187 7.427,1188 3.741,1189 3.58,1190 3.62,1191 3.5,1192 3.378,1193 6.351,1194 3.398,1195 3.299,1196 3.374,1197 3.213,1198 3.141,1199 4.937,1200 3.12,1201 3.26,1202 3.302,1203 3.132,1204 3.01,1205 4.907,1206 3.04,1207 3.225,1208 3.266,1209 3.099,1210 2.929,1211 4.496,1212 2.975,1213 3.211,1214 3.25,1215 2.995,1216 2.927,1217 4.394,1218 2.932,1219 3.043,1220 3.097,1221 2.846,1222 2.802,1223 4.003,1224 2.81,1225 0.161,1226 0.136,1227 0.245,1228 0.151,1229 0.116,1230 4.513,1231 0.147,1232 3.803,1233 0.051,1234 6.857,1235 0.403,1236 4.222,1237 0.113,1238 3.251,1239 4.119,1240 1.437,1241 11.298,1242 3.155,1243 1.983,1244 1.96,1245 2.088,1246 2.1,1247 1.367,1248 2.095,1249 1.777,1250 1.747,1251 1.835,1252 1.96,1253 0.884,1254 1.925,1255 1.507,1256 1.463,1257 1.712,1258 1.741,1259 0.866,1260 1.728,1261 1.32,1262 1.245,1263 1.646,1264 1.54,1265 0.768,1266 1.575,1267 1.183,1268 1.104,1269 1.574,1270 1.505,1271 0.574,1272 1.533,1273 1.152,1274 1.101,1275 1.5,1276 1.425,1277 0.558,1278 1.446,1279 1.096,1280 1.061,1281 1.258,1282 1.415,1283 0.308,1284 1.344,1285 0.957,1286 0.926,1287 1.139,1288 1.244,1289 0.202,1290 1.22,1291 4.043,1293 5.38,1295 6.936,1297 8.593,1299 10.3,1301 5.02,1306 9.259,1307 1.062,1310 10.687,1312 -0.269,1313 1.602,1318 28.853,1319 75,1320 167.83,1321 206.869,1322 210.869,1323 216.869,1324 220.869,1325 59.22,1326 7.271,1327 101.85,1328 101.85,1329 18,1330 12.623,1331 3.907,1332 3.17,1333 44.164,1334 89,1335 88,1336 0.25,1337 178.197,1338 316.91,1339 426.561,1340 12737,1342 18.845,1343 0.725,1344 0.566,1345 18.845,1346 14.723,1347 12.473,1348 0.445,1349 0.288,1350 7.89,1351 11.731,1352 7.645,1353 6.347,1354 12.473,1355 8.076,1356 11.048,1357 0.276,1358 0.147,1359 11.048,1360 5.889,1361 9.805,1362 0.175,1363 0.081,1364 9.805,1365 4.549,1366 8.181,1367 0.112,1368 0.044,1369 8.181,1370 3.209,1371 6.557,1372 0.071,1373 0.024,1374 6.557,1375 2.212,1376 0.382,1377 80.245,1378 0.236,1379 24.56,1380 0.72,1381 136,1382 494.027,1383 154.589,1384 459.081,1385 611.86,1386 428,1387 164,1388 434.493,1389 183.148,1390 437.026,1391 641.8,1392 407,1393 4.836}
{0 CHEMBL1370681,1 2.052,2 9.24,3 3.371,4 11.366,5 82.342,6 9.852,7 0.462,8 3.767,9 3.833,10 3.688,11 3.316,12 5.038,13 3.318,14 4.33,15 4.44,16 4.061,17 3.62,18 6.223,19 3.647,20 4.483,21 4.63,22 4.035,23 3.712,24 6.082,25 3.711,26 4.484,27 4.626,28 4.033,29 3.672,30 5.948,31 3.69,32 4.468,33 4.599,34 4.248,35 3.664,36 6.209,37 3.708,38 4.523,39 4.643,40 4.175,41 3.63,42 6.596,43 3.69,44 4.521,45 4.685,46 3.81,47 3.465,48 6.167,49 3.539,50 4.33,51 4.532,52 3.476,53 3.186,54 5.908,55 3.266,56 0.293,57 0.767,58 5.602,59 4.206,60 63.513,61 3.456,62 1.173,63 1.486,64 14.672,65 6.349,66 204.082,67 5.792,68 1.013,69 1.248,70 17.556,71 7.149,72 146.638,73 6.936,74 1.087,75 1.271,76 17.064,77 7.145,78 193.324,79 5.615,80 1.043,81 1.436,82 19.602,83 7.466,84 186.457,85 6.548,86 1.465,87 1.435,88 21.187,89 8.033,90 280.18,91 6.873,92 1.488,93 1.423,94 20.749,95 7.501,96 262.236,97 5.214,98 1.26,99 1.089,100 18.27,101 5.766,102 206.125,103 4.44,104 58,105 38,106 0.367,107 0.66,108 0.762,109 0.816,110 0.829,111 0.829,112 3.267,113 0.992,114 -3.78,115 -3.75,116 -3.56,119 39.5,121 1,124 1,125 1,132 1,141 6,142 1,145 2,148 1,156 1,171 6,173 3,174 5,182 7,185 4,186 4,194 5,199 5,207 2,212 4,213 7,221 1,225 4,226 6,234 2,239 5,247 2,251 6,259 2,264 4,271 1,274 931,275 15.797,276 15.797,277 15.797,278 15.797,279 15.797,280 14.034,281 11.074,282 9.105,283 16.607,284 12.752,285 12.752,286 12.752,287 12.752,288 12.752,289 9.868,290 9.615,291 4.273,292 14.031,293 3.196,294 1.564,295 0.994,296 0.691,297 0.619,298 0.619,299 3.92,304 1,305 1,306 1,307 466,308 4.472,312 174.925,319 1.37,320 62.82,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 59.5,332 231,333 4.864,334 5.248,335 7.316,336 4.292,337 3.435,338 4.716,339 3.825,340 12.514,341 2.973,342 4.445,343 4.46,344 7.102,345 4.101,346 3.262,347 3.948,348 2.95,349 11.65,350 2.742,351 4.13,352 3.672,353 6.142,354 3.767,355 2.799,356 3.535,357 2.443,358 9.071,359 2.649,360 3.627,361 2.943,362 5.082,363 3.292,364 2.314,365 2.857,366 0.286,367 6.01,368 2.233,369 3.471,370 2.667,371 4.924,372 2.947,373 2.009,374 2.786,376 5.687,377 1.871,378 3.049,379 2.025,380 4.499,381 2.542,382 1.6,383 2.262,385 4.106,386 1.485,387 2.724,388 1.679,389 4.316,390 2.219,391 1.319,392 1.791,394 3.991,395 1.167,396 2.53,397 1.461,398 3.495,399 2.006,400 1.042,401 1.544,403 2.587,404 1,405 2.5,406 1.116,407 3.333,408 2,409 1,410 1.5,412 2.136,413 0.998,414 1.832,415 1,416 3.247,417 1.638,418 0.711,419 0.758,421 1.442,422 0.649,423 1.452,424 0.991,425 2.845,426 1.073,427 0.129,428 0.153,430 0.184,431 0.118,432 1,433 0.583,434 2.766,435 0.481,436 -0.486,437 -0.66,439 -1.261,440 -0.466,441 0.926,442 0.51,443 2.506,444 0.27,445 -0.647,446 -0.876,448 -2.066,449 -0.585,450 0.785,451 0.51,452 2.427,453 0.048,454 -0.907,455 -1,457 -2.347,458 -0.7,459 0.56,460 -0.083,461 2,463 -1,464 -1,466 -2.413,467 -0.7,468 11.324,469 0.453,470 0.955,471 0.038,472 32.5,473 1.3,474 16.5,475 0.66,476 16,477 0.64,478 18.416,479 0.737,480 28.876,481 0.76,482 29.145,483 1.166,484 6.6,485 0.264,486 5.031,487 0.201,488 0.208,489 0.118,490 0.221,491 3,493 0.576,494 1.041,495 0.73,496 1.29,497 0.646,498 0.982,499 0.536,500 0.794,501 0.847,502 1.084,503 0.481,504 0.936,505 0.717,506 0.72,507 0.947,508 0.929,509 0.762,510 0.95,511 1.165,512 0.978,513 1.046,514 0.965,515 1.213,516 0.967,517 0.646,518 1.006,519 0.754,520 1.16,521 0.782,522 0.863,523 0.792,524 1.26,525 1.117,526 1.277,527 0.773,528 1.023,529 1.796,530 1.415,531 1.388,532 1.036,533 1.812,534 1.098,535 1.762,536 1.264,537 1.276,538 0.848,539 1.686,540 0.989,541 8,542 0.037,543 3.778,544 1.625,545 1.6,546 1.931,547 0.632,548 0.385,549 0.385,550 0.141,551 5746,552 26895,553 1.888,554 34.2,556 11,560 2,564 1.688,565 1.705,566 3.119,567 -0.593,568 1,569 1,573 77.957,574 2.052,575 3.684,576 4.254,577 4.557,578 4.629,579 4.629,580 2.649,581 4.134,582 4.611,583 3.301,584 990.408,585 8.022,586 11856.1,587 1,588 1,589 1,590 1,591 199.421,592 1.791,593 4.512,594 0.308,595 0.004,596 0.099,597 0.043,598 0.046,599 0.047,600 0.015,601 0.013,602 0.018,603 0.009,604 0.602,605 0.33,606 1,607 1.735,608 118.756,610 -0.095,611 0.151,612 -0.09,613 -0.099,614 -0.017,615 0.335,616 0.214,617 0.091,618 -0.015,619 0.349,620 0.001,621 0.032,622 0.065,623 -0.017,624 0.044,625 0.005,626 0.008,627 -0.287,628 -0.095,629 -0.093,630 0.024,631 -0.29,632 -0.031,633 0.213,634 -0.084,635 0.324,636 -0.074,637 0.1,638 0.094,639 0.288,640 -0.147,641 -0.017,642 -0.169,643 0.389,644 -0.091,645 -0.509,646 -0.162,647 -0.418,648 -0.092,649 -0.447,650 -0.187,651 -0.484,652 -0.023,653 -0.343,654 -0.003,655 -0.416,656 -0.057,657 6.098,658 5.215,659 0.48,660 21.21,661 1.061,662 1.149,663 2.553,664 6.519,665 0.674,666 3.296,667 3.664,668 3.807,669 3.951,670 4.277,671 4.357,672 4.407,673 4.394,674 4.331,675 4.205,676 5.559,677 0.682,678 374.37,679 3.296,680 4.86,681 5.68,682 6.569,683 7.426,684 8.318,685 9.191,686 10.086,687 10.967,688 11.865,689 5.3,699 2,707 6,708 2,712 4,714 12,733 38,735 15,736 1,737 26,739 39,740 15,741 10,742 1,743 5,747 2,748 2,753 1,759 1,760 1,762 11,763 4,766 3,769 1,771 3,775 1,778 1,779 1,780 3,782 13,783 9,785 10,786 1,791 2,796 1,797 4,810 1,816 2,832 1,845 2,848 1,850 1,852 3,854 25,857 1,862 2,865 1,869 1,877 3,878 10.5,881 3,883 1,885 14.667,886 7.162,887 5.403,888 2.015,890 2.332,891 1.352,892 0.946,893 5.565,894 8.952,895 3.584,896 4.205,897 4.649,898 5.139,899 5.769,900 6.034,901 6.437,902 6.662,903 6.88,904 7.072,905 1,906 38,907 10.412,909 5.61,910 8.78,911 16.278,913 13.057,915 3.28,916 82,920 153.024,921 101.564,922 33.571,924 80.458,925 44.88,926 6.046,927 95.518,928 233.482,929 78.451,930 10.883,931 3.434,932 62.903,933 110.22,934 64.579,935 0.693,936 153.024,937 7.76,938 153.024,939 129.089,940 125.338,941 6.046,943 153.024,944 125.338,947 17.4,948 78.117,949 39.617,951 197.905,952 114.029,953 101.564,955 6.046,956 160.784,957 20.018,958 67.741,960 158.909,961 153.024,962 158.909,963 101.564,965 0.598,966 0.321,967 0.14,968 0.092,969 17,970 9,971 0.154,972 6,974 1,975 3.436,976 200.899,978 12,979 105.342,984 1,985 19.045,986 7.305,987 4.85,989 158.909,990 8.477,991 6.871,995 -2.234,998 413.497,999 35,1002 -4.302,1004 35.527,1008 -0.807,1011 40.313,1012 43.68,1013 0.391,1014 0.702,1015 0.811,1016 0.868,1017 0.882,1018 0.882,1019 4.844,1020 1.042,1021 5.765,1022 3.991,1023 4.344,1024 4.89,1025 3.877,1026 6.655,1027 4.157,1028 6.119,1029 1,1030 7.401,1031 2.587,1032 4.369,1033 5.094,1034 4.06,1035 8.089,1036 3.954,1037 7.496,1038 0.711,1039 9.16,1040 2.136,1041 6.125,1042 7.215,1043 6.047,1044 11.04,1045 5.693,1046 8.914,1047 0.129,1048 10.992,1049 1.442,1050 6.889,1051 8.173,1052 6.774,1053 13.194,1054 6.201,1055 10.364,1056 -0.486,1057 12.868,1058 0.184,1059 8.259,1060 9.902,1061 8.459,1062 15.816,1063 7.524,1064 11.838,1065 -0.647,1066 14.773,1067 -1.261,1068 9.296,1069 11.175,1070 9.427,1071 18.197,1072 8.326,1073 13.33,1074 -0.907,1075 16.698,1076 -2.066,1077 10.55,1078 12.774,1079 10.981,1080 20.732,1081 9.49,1082 3.435,1083 -1,1084 18.635,1085 -2.347,1086 11.69,1087 14.188,1088 12.091,1089 23.19,1090 10.425,1091 3.262,1092 12.514,1093 20.583,1094 -2.413,1095 12.909,1096 15.742,1097 13.565,1098 25.7,1099 11.524,1100 2.799,1101 11.65,1102 22.537,1103 4.716,1104 14.091,1105 17.223,1106 14.765,1107 28.187,1108 12.523,1109 2.314,1110 9.071,1111 24.496,1112 3.948,1113 15.302,1114 18.763,1115 16.189,1116 30.692,1117 13.596,1118 2.009,1119 6.01,1120 26.459,1121 3.535,1122 16.502,1123 20.276,1124 17.444,1125 33.191,1126 14.626,1127 1.6,1128 5.687,1129 28.426,1130 2.857,1131 17.713,1132 21.814,1133 18.836,1134 35.697,1135 15.691,1136 1.319,1137 4.106,1138 30.395,1139 2.786,1140 18.921,1141 23.343,1142 20.126,1143 38.202,1144 16.738,1145 5994,1146 13143,1147 15.89,1148 25.619,1149 39.631,1150 41.061,1151 40.454,1152 39.532,1153 39.239,1154 51.698,1155 19.008,1156 118.755,1157 35.772,1158 5.752,1159 7.248,1160 7.118,1161 5.414,1162 5.435,1163 7.716,1164 6.775,1165 19.972,1166 4.973,1167 16.352,1168 1.524,1169 1.579,1170 1.556,1171 1.52,1172 1.509,1173 1.988,1174 0.731,1175 4.567,1176 1.376,1177 4.091,1178 4.083,1179 4.739,1180 4.057,1181 8.513,1182 3.975,1183 3.887,1184 3.889,1185 3.903,1186 3.849,1187 7.999,1188 3.803,1189 3.686,1190 3.715,1191 3.676,1192 3.528,1193 7.999,1194 3.537,1195 3.511,1196 3.5,1197 3.495,1198 3.263,1199 7.714,1200 3.277,1201 3.22,1202 3.273,1203 3.237,1204 2.927,1205 7.432,1206 2.978,1207 3.091,1208 3.157,1209 2.868,1210 2.85,1211 6.999,1212 2.831,1213 2.854,1214 2.925,1215 2.694,1216 2.735,1217 4.927,1218 2.715,1219 2.765,1220 2.822,1221 2.687,1222 2.533,1223 4.668,1224 2.566,1225 0.187,1226 0.202,1227 0.281,1228 0.165,1229 0.132,1230 4.864,1231 0.181,1232 5.248,1233 0.147,1234 7.316,1235 0.481,1236 4.292,1237 0.114,1238 3.435,1239 4.716,1240 3.825,1241 12.514,1242 2.973,1243 1.967,1244 1.959,1245 2.04,1246 2.068,1247 1.259,1248 2.079,1249 1.824,1250 1.833,1251 1.82,1252 1.922,1253 1.109,1254 1.958,1255 1.597,1256 1.567,1257 1.721,1258 1.796,1259 0.792,1260 1.772,1261 1.321,1262 1.327,1263 1.567,1264 1.6,1265 0.59,1266 1.597,1267 1.081,1268 1.006,1269 1.181,1270 1.387,1271 0.47,1272 1.374,1273 1.001,1274 0.963,1275 1.113,1276 1.272,1277 0.218,1278 1.227,1279 0.886,1280 0.821,1281 1.101,1282 1.062,1283 0.189,1284 1.107,1285 0.663,1286 0.608,1287 0.838,1288 0.942,1290 0.937,1291 3.97,1293 5.323,1295 6.86,1297 8.472,1299 10.129,1301 1.073,1303 39.184,1307 -1.27,1310 4.328,1314 -4.848,1318 25.927,1319 77.957,1320 139.995,1321 161.647,1322 173.157,1323 175.911,1324 175.911,1325 85.761,1326 6.62,1327 86.22,1328 94.6,1329 12,1330 12.392,1331 4,1332 3.322,1333 51.188,1334 81,1335 96,1336 0.313,1337 163.676,1338 296.94,1339 391.13,1340 5191,1341 7.9,1342 18.665,1343 0.747,1344 0.551,1345 16.415,1346 13.764,1347 11.631,1348 0.447,1349 0.331,1350 6.902,1351 10.107,1352 6.651,1353 5.465,1354 11.241,1355 8.598,1356 11.666,1357 0.307,1358 0.182,1359 11.031,1360 6.933,1361 8.368,1362 0.19,1363 0.105,1364 8.444,1365 4.627,1366 5.725,1367 0.112,1368 0.058,1369 6.218,1370 2.97,1371 5.21,1372 0.073,1373 0.031,1374 5.74,1375 2.203,1376 0.474,1377 83.757,1378 0.251,1379 23.84,1380 0.91,1381 128,1382 687.426,1383 195.796,1384 588.095,1385 742.44,1386 536,1387 146,1388 473.883,1389 211.974,1390 489.558,1391 728.32,1392 454,1393 4.785}
{0 CHEMBL1370704,1 1.857,2 10.13,3 3.253,4 10.58,5 91.271,6 9.401,7 0.48,8 3.727,9 3.822,10 3.544,11 3.359,12 4.91,13 3.324,14 4.226,15 4.368,16 3.975,17 3.753,18 5.425,19 3.692,20 4.416,21 4.557,22 4.009,23 3.842,24 5.67,25 3.762,26 4.442,27 4.622,28 3.936,29 3.75,30 5.69,31 3.66,32 4.359,33 4.523,34 3.644,35 3.575,36 5.759,37 3.479,38 4.202,39 4.417,40 3.496,41 3.433,42 5.379,43 3.332,44 4.085,45 4.271,46 3.585,47 3.369,48 5.424,49 3.293,50 3.987,51 4.161,52 3.32,53 3.269,54 5.268,55 3.184,56 0.073,57 0.545,58 5.246,59 3.086,60 6.483,61 3.489,62 0.237,63 0.878,64 12.097,65 5.631,66 18.437,67 6.503,68 0.404,69 1.024,70 19.146,71 7.182,72 37.756,73 7.115,74 0.364,75 1.005,76 20.693,77 7.706,78 42.071,79 8.503,80 0.548,81 0.949,82 23.682,83 7.542,84 76.07,85 6.683,86 0.351,87 0.765,88 16.342,89 5.927,90 42.49,91 6.87,92 0.327,93 0.676,94 16.45,95 5.693,96 44.077,97 5.915,98 0.346,99 0.593,100 16.116,101 4.921,102 43.265,103 4.817,104 26,105 36,106 0.334,107 0.689,108 0.777,109 0.843,110 0.843,111 0.843,112 3.188,113 0.975,114 -3.13,115 -3.12,116 -3,119 43.2,120 2,125 1,141 5,142 2,143 2,145 1,146 1,156 2,171 5,173 1,174 5,177 1,179 2,182 8,185 2,186 3,189 1,191 2,194 5,198 1,199 7,207 2,212 1,213 6,216 1,218 2,225 1,226 4,229 1,231 1,239 5,244 2,247 2,251 6,256 1,259 4,264 2,271 6,274 701,275 15.033,276 15.033,277 15.033,278 15.033,279 15.033,280 13.206,281 18.672,282 8.682,283 15.396,284 12.328,285 12.328,286 12.328,287 12.328,288 12.328,289 9.514,290 21.743,291 4.164,292 12.966,293 3.353,294 1.384,295 0.895,296 0.527,297 0.527,298 0.527,299 3.863,302 1,304 1,305 1,306 1,307 498,308 3,311 49.4,312 142.225,315 95.955,319 1.452,320 27.741,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 49.833,332 233,333 4.567,334 4.181,335 6.875,336 4.227,337 3.26,338 4.213,339 1.956,340 11.405,341 3.153,342 4.047,343 3.614,344 5.769,345 3.657,346 2.691,347 3.629,348 1.058,349 7.87,350 2.596,351 3.818,352 3.412,353 5.496,354 3.472,355 2.509,356 3.133,357 0.248,358 7.325,359 2.411,360 3.616,361 2.937,362 5.152,363 3.217,364 2.26,365 2.894,367 6.171,368 2.158,369 3.353,370 2.734,371 5.031,372 2.985,373 2.046,374 2.6,376 5.939,377 1.904,378 3.268,379 2.402,380 4.939,381 2.835,382 1.907,383 2.499,385 5.584,386 1.696,387 3.108,388 2.231,389 4.664,390 2.68,391 1.715,392 2.242,394 4.873,395 1.606,396 2.5,397 1.931,398 4.179,399 2.186,400 1.181,401 1.5,403 3.277,404 1.168,405 2.473,406 1.046,407 3.414,408 2,409 1,410 1.392,412 2.275,413 1,414 1.415,415 1,416 3.042,417 1.08,418 0.177,419 0.204,421 0.443,422 0.146,423 1.342,424 0.809,425 2.726,426 0.892,427 -0.106,428 -0.138,430 -0.264,431 -0.096,432 1.105,433 0.497,434 2.583,435 0.737,436 -0.203,437 -0.253,439 -0.542,440 -0.188,441 0.792,442 0.176,443 2.399,444 0.483,445 -0.507,446 -0.607,448 -1.256,449 -0.456,450 0.678,451 -0.024,452 2.095,453 0.237,454 -0.664,455 -0.806,457 -1.602,458 -0.558,459 0.5,460 -0.168,461 2,462 0.168,463 -0.851,464 -1.11,466 -2.095,467 -0.846,468 11.414,469 0.496,470 0.736,471 0.032,472 30.75,473 1.337,474 16,475 0.696,476 14.75,477 0.641,478 18.007,479 0.783,480 23.986,481 0.648,482 21.144,483 0.919,484 6.013,485 0.261,486 4.923,487 0.214,488 0.209,490 0.385,493 0.622,494 1.274,495 0.582,496 0.888,497 0.543,498 0.823,499 0.57,500 1.116,501 0.621,502 0.807,503 0.526,504 0.758,505 1.139,506 0.999,507 1.151,508 1.095,509 1.178,510 1.046,511 0.986,512 1.187,513 0.871,514 1.083,515 1.027,516 1.026,517 1.409,518 1.24,519 1.446,520 1.48,521 1.498,522 1.251,523 1.03,524 0.826,525 0.771,526 0.787,527 1.074,528 0.904,529 1.134,530 0.982,531 0.875,532 0.964,533 1.229,534 0.825,535 1.594,536 0.843,537 1.285,538 1.01,539 1.71,540 0.987,541 6,542 0.109,543 2.444,544 2.542,545 1.432,546 0.778,547 0.442,548 0.316,549 0.214,550 0.152,551 5656,552 19232,553 2.016,554 37.8,555 3,556 7,559 1,560 3,564 1.655,565 1.84,566 3.288,567 -0.241,568 1,569 1,571 1,573 68.692,574 1.857,575 3.825,576 4.314,577 4.682,578 4.682,579 4.682,580 2.736,581 4.35,582 4.496,583 3.435,584 869.178,585 7.727,586 9905.63,587 1,588 1,589 1,590 1,591 192.75,592 1.538,593 4.428,594 0.24,595 0.008,596 0.068,597 0.073,598 0.046,599 0.032,600 0.021,601 0.014,602 0.012,603 0.009,604 0.524,605 0.5,606 1,607 0.675,608 107.98,609 -0.029,610 -0.187,611 0.043,612 -0.045,613 -0.06,614 0.002,615 0.144,616 -0.048,617 0.167,618 0.117,619 0.075,620 0.141,621 -0.116,622 0.077,623 -0.181,624 -0.105,625 -0.176,626 -0.16,627 0.008,628 -0.21,629 0.056,630 -0.098,631 0.025,632 -0.056,633 -0.113,634 -0.147,635 -0.402,636 -0.338,638 -0.326,639 -0.013,640 0.121,641 0.067,642 0.117,643 -0.001,644 0.085,645 0.014,646 -0.018,647 0.118,648 0.074,649 0.08,650 0.169,651 -0.307,652 0.122,653 -0.246,654 -0.01,655 -0.26,656 -0.034,657 1.935,658 5.429,659 0.652,660 18.193,661 1.018,662 1.115,663 1.898,664 3.601,665 0.73,666 3.258,667 3.611,668 3.85,669 4.143,670 4.304,671 4.344,672 4.382,673 4.394,674 4.357,675 4.317,676 5.882,677 0.694,678 347.85,679 3.258,680 4.812,681 5.659,682 6.553,683 7.419,684 8.317,685 9.193,686 10.093,687 10.977,688 11.879,689 8.1,696 2,699 1,707 5,708 1,712 6,714 12,732 1,733 37,735 14,736 1,737 25,739 39,740 16,741 11,742 2,743 4,744 1,747 3,748 4,749 1,753 2,762 13,763 3,766 2,771 2,775 2,778 1,779 1,782 14,783 5,784 1,785 7,786 2,791 3,796 0.667,797 2,809 1,815 1,816 2,819 1,829 1,845 2,848 1,850 2,851 1,854 23,858 1,862 1,864 1,866 1,868 1,877 1,878 5.4,881 2,885 12.5,886 7.46,887 4.944,888 2.104,890 2.217,891 1.32,892 0.986,893 4.508,894 9.144,895 3.526,896 4.127,897 4.63,898 5.176,899 5.624,900 5.728,901 5.837,902 6.007,903 6.008,904 6.108,905 0.857,906 35,907 8.508,909 3.655,910 7.947,911 15.868,913 12.875,915 2.447,916 56.278,920 153.024,921 125.035,922 36.315,923 39.149,924 50.29,926 31.981,927 93.054,928 242.463,929 36.315,930 17.65,931 21.635,932 47.381,933 76.485,934 15.385,935 1.122,936 185.005,937 39.149,938 153.024,939 129.369,940 50.29,941 71.13,943 153.024,944 50.29,947 42.042,948 70.541,949 55.934,950 31.981,951 153.024,952 86.605,953 164.183,956 153.024,957 60.003,958 66.55,959 18.011,960 106.224,961 153.024,962 86.605,963 164.183,965 0.593,966 0.338,967 0.186,968 0.1,969 18,970 9,971 0.077,972 3,973 1,974 1.133,975 3.488,976 181.473,977 0.133,978 15,979 100.042,981 1,985 16.154,986 6.419,987 3.458,989 86.605,990 8.679,991 4.37,995 4.214,997 18.011,998 403.812,999 33,1004 24.559,1008 -0.448,1011 37.662,1012 41.269,1013 0.356,1014 0.734,1015 0.828,1016 0.899,1017 0.899,1018 0.899,1019 4.779,1020 1.181,1021 5.673,1022 4.873,1023 4.29,1024 4.812,1025 2.286,1026 6.497,1027 4.199,1028 6.003,1029 1,1030 7.244,1031 3.277,1032 4.007,1033 4.718,1034 1.593,1035 7.402,1036 3.867,1037 7.319,1038 0.177,1039 8.908,1040 2.275,1041 5.9,1042 6.969,1043 3.142,1044 10.517,1045 5.733,1046 8.664,1047 -0.106,1048 10.627,1049 0.443,1050 6.365,1051 7.601,1052 3.114,1053 12.274,1054 6.163,1055 10.036,1056 -0.203,1057 12.382,1058 -0.264,1059 7.794,1060 9.402,1061 4.251,1062 14.943,1063 7.564,1064 11.428,1065 -0.507,1066 14.167,1067 -0.542,1068 8.623,1069 10.394,1070 4.559,1071 17.098,1072 8.365,1073 12.838,1074 -0.664,1075 15.974,1076 -1.256,1077 9.875,1078 12.004,1079 5.484,1080 19.613,1081 9.587,1082 3.26,1083 -0.851,1084 17.802,1085 -1.602,1086 10.885,1087 13.192,1088 5.961,1089 21.938,1090 10.569,1091 2.691,1092 11.405,1093 19.647,1094 -2.095,1095 12.073,1096 14.71,1097 6.772,1098 24.398,1099 11.727,1100 2.509,1101 7.87,1102 21.507,1103 4.213,1104 13.169,1105 16.007,1106 7.337,1107 26.79,1108 12.792,1109 2.26,1110 7.325,1111 23.379,1112 3.629,1113 14.339,1114 17.479,1115 8.086,1116 29.233,1117 13.931,1118 2.046,1119 6.171,1120 25.261,1121 3.133,1122 15.476,1123 18.836,1124 8.698,1125 31.65,1126 15.037,1127 1.907,1128 5.939,1129 27.152,1130 2.894,1131 16.644,1132 20.286,1133 9.413,1134 34.087,1135 16.173,1136 1.715,1137 5.584,1138 29.049,1139 2.6,1140 17.801,1141 21.676,1142 10.051,1143 36.515,1144 17.298,1145 5537,1146 10348,1147 16.126,1148 27,1149 37.972,1150 41.198,1151 39.523,1152 37.56,1153 37.49,1154 48.609,1155 6.525,1156 110.321,1157 35.675,1158 5.506,1159 6.181,1160 6.289,1161 5.297,1162 5.26,1163 7.213,1164 3.429,1165 18.55,1166 5.153,1167 13.316,1168 1.519,1169 1.648,1170 1.581,1171 1.502,1172 1.5,1173 1.944,1174 0.261,1175 4.413,1176 1.427,1177 3.992,1178 4.016,1179 4.129,1180 3.914,1181 7.433,1182 3.906,1183 3.901,1184 3.929,1185 3.991,1186 3.837,1187 7.423,1188 3.831,1189 3.584,1190 3.624,1191 3.597,1192 3.402,1193 4.946,1194 3.409,1195 3.326,1196 3.372,1197 3.442,1198 3.152,1199 4.82,1200 3.157,1201 3.198,1202 3.269,1203 3.178,1204 3.035,1205 4.377,1206 3.003,1207 2.907,1208 2.973,1209 3.121,1210 2.787,1211 4.009,1212 2.771,1213 2.854,1214 2.925,1215 2.828,1216 2.735,1217 3.983,1218 2.715,1219 2.766,1220 2.821,1221 2.687,1222 2.499,1223 3.716,1224 2.518,1225 0.183,1226 0.167,1227 0.275,1228 0.169,1229 0.13,1230 4.567,1231 0.169,1232 4.181,1233 0.078,1234 6.875,1235 0.456,1236 4.227,1237 0.126,1238 3.26,1239 4.213,1240 1.956,1241 11.405,1242 3.153,1243 1.884,1244 1.859,1245 1.976,1246 1.988,1247 1.111,1248 1.989,1249 1.872,1250 1.847,1251 1.97,1252 1.973,1253 1.065,1254 1.977,1255 1.501,1256 1.462,1257 1.653,1258 1.733,1259 0.853,1260 1.718,1261 1.29,1262 1.223,1263 1.613,1264 1.51,1265 0.698,1266 1.548,1267 1.068,1268 1.015,1269 1.308,1270 1.341,1271 0.411,1272 1.316,1273 0.977,1274 0.942,1275 1.181,1276 1.187,1277 0.218,1278 1.212,1279 0.886,1280 0.821,1281 1.102,1282 1.062,1283 0.173,1284 1.107,1285 0.748,1286 0.729,1287 0.955,1288 0.983,1289 0.033,1290 0.983,1291 3.932,1293 5.273,1294 2.398,1295 6.792,1296 4.844,1297 8.399,1298 7.034,1299 10.055,1301 3.761,1302 5.808,1307 -0.041,1309 2.744,1311 1.205,1313 1.426,1318 25.669,1319 68.692,1320 141.53,1321 159.63,1322 173.24,1323 173.24,1324 173.24,1325 44.016,1326 6.927,1327 63.99,1328 92.23,1329 17,1330 12.403,1331 3.907,1332 3.17,1333 36.996,1334 81,1335 86,1336 0.226,1337 166.488,1338 289.66,1339 397.99,1340 8746,1341 2.7,1342 16.56,1343 0.72,1344 0.616,1345 17.414,1346 14.163,1347 10.936,1348 0.437,1349 0.325,1350 6.986,1351 9.841,1352 6.637,1353 5.515,1354 11.632,1355 8.125,1356 10.449,1357 0.29,1358 0.186,1359 11.499,1360 6.695,1361 8.213,1362 0.179,1363 0.1,1364 9.293,1365 4.599,1366 7.203,1367 0.116,1368 0.058,1369 8.433,1370 3.583,1371 5.354,1372 0.073,1373 0.031,1374 6.418,1375 2.229,1376 0.354,1377 75.417,1378 0.249,1379 22.625,1380 0.617,1381 122,1382 396.158,1383 174.65,1384 434.082,1385 575.66,1386 402,1387 143,1388 379.933,1389 188.902,1390 412,1391 601.07,1392 386,1393 4.627}
{0 CHEMBL1370844,1 1.493,2 8,3 5.057,4 25.573,5 86.543,6 8.065,7 0.75,8 3.686,9 3.789,10 3.33,11 3.31,12 4.92,13 3.289,14 4.128,15 4.249,16 3.641,17 3.658,18 5.454,19 3.621,20 4.389,21 4.585,22 3.686,23 3.757,24 5.488,25 3.704,26 4.407,27 4.598,28 3.65,29 3.767,30 5.565,31 3.708,32 4.4,33 4.567,34 3.657,35 3.872,36 5.518,37 3.785,38 4.5,39 4.71,40 3.552,41 3.879,42 5.496,43 3.741,44 4.451,45 4.711,46 3.291,47 3.626,48 5.392,49 3.47,50 4.098,51 4.362,52 3.07,53 3.073,54 5.329,55 3.006,56 0.107,57 0.478,58 5.948,59 3.012,60 3.841,61 3.753,62 0.121,63 0.739,64 9.84,65 4.872,66 32.913,67 6.021,68 0.137,69 0.993,70 15.614,71 6.245,72 15.828,73 8.059,74 0.214,75 0.968,76 16.454,77 6.545,78 33.273,79 8.05,80 0.162,81 0.93,82 15.067,83 7.182,84 29.703,85 8.976,86 0.164,87 1.036,88 17.743,89 8.392,90 17.525,91 11.479,92 0.115,93 0.973,94 19.585,95 8.193,96 27.281,97 11.426,98 0.137,99 0.686,100 14.634,101 5.108,102 23.934,103 6.794,104 6,105 32,106 0.266,107 0.344,108 0.428,109 0.583,110 0.683,111 0.683,112 3.148,113 0.863,114 -6.02,115 -5.87,116 -5.46,119 50,141 14,143 4,164 2,171 10,173 1,174 8,182 10,186 12,194 6,199 6,207 12,212 1,221 24,225 2,234 20,239 4,247 8,251 12,259 1,264 10,274 712,275 15.104,276 15.104,277 15.104,278 15.104,279 15.104,280 12.648,281 17.794,282 9.207,283 15.259,284 11.866,285 11.866,286 11.866,287 11.866,288 11.866,289 8.399,290 27,291 4.364,292 12.137,293 3.677,294 3.239,295 2.766,296 1.896,297 1.333,298 1.333,299 3.83,305 1,306 1,307 374,308 2.828,312 224.242,319 1.182,320 15.441,323 0.75,324 0.83,325 1,326 0.6,328 1,329 1,330 0.74,331 47,332 176,333 4.401,334 3.779,335 6.782,336 4.088,337 3.143,338 4,339 2.612,340 11.162,341 2.971,342 4.198,343 3.378,344 5.92,345 3.697,346 2.728,347 3.775,348 0.8,349 8.176,350 2.64,351 3.736,352 2.37,353 5.247,354 3.269,355 2.278,356 3.298,358 6.4,359 2.256,360 3.644,361 2.323,362 5.218,363 3.143,364 2.16,365 3.139,367 6.267,368 2.121,369 3.086,370 1.908,371 4,372 2.57,373 1.582,374 2.306,376 3.469,377 1.561,378 2.835,379 1.535,380 3.719,381 2.31,382 1.317,383 1.928,385 2.88,386 1.306,387 2.781,388 1.352,389 3.555,390 2.202,391 1.207,392 1.908,394 2.853,395 1.2,396 2.5,397 1,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 2.5,406 1,407 3.247,408 2,409 1,410 1.5,412 2.136,413 1,414 2.5,415 1,416 3.247,417 2,418 1,419 1.5,421 2.136,422 1,423 1.732,424 1,425 3.207,426 1.346,427 0.374,428 0.495,430 1.025,431 0.363,432 1,433 0.522,434 2.304,435 0.449,436 -0.527,437 -0.714,439 -1.226,440 -0.513,441 0.889,442 -0.288,443 2.198,444 0.277,445 -0.705,446 -0.952,448 -1.547,449 -0.69,450 0.719,451 -0.613,452 2,454 -1,455 -1.5,457 -2,458 -1,459 0.5,460 -0.964,461 1.772,463 -1,464 -1.5,466 -2.347,467 -1,468 10.467,469 0.476,470 0.418,471 0.019,472 35,473 1.591,474 21.5,475 0.977,476 13.5,477 0.614,478 11.633,479 0.529,480 21.933,481 0.609,482 24.161,483 1.098,484 7.164,485 0.326,486 3.59,487 0.163,488 0.064,490 0.268,493 0.304,494 1.008,495 0.674,496 0.868,497 0.473,498 0.842,499 0.48,500 1.318,501 0.858,502 1.144,503 0.373,504 1.077,505 0.787,506 1.073,507 0.913,508 0.944,509 0.463,510 0.927,511 1.117,512 0.847,513 1.021,514 0.842,515 0.934,516 0.89,517 0.71,518 0.819,519 1.035,520 0.989,521 0.79,522 1.058,523 0.173,524 1.057,525 1.022,526 1.214,527 0.3,528 1.257,529 0.433,530 1.099,531 0.916,532 1.166,533 0.487,534 1.133,535 1.157,536 1.073,537 0.819,538 1.013,539 1.034,540 0.88,541 3,542 0.049,543 2.222,544 1.625,545 0.844,546 0.278,547 0.398,548 0.396,549 0.173,550 0.089,551 4578,552 13995,553 2.097,554 38.9,556 14,564 1.652,565 2,566 2.987,567 -0.807,573 53.756,574 1.493,575 1.931,576 2.404,577 3.274,578 3.837,579 3.837,580 2.461,581 3.278,582 4.428,583 3.16,584 729.918,585 7.644,586 7934.83,588 1,591 186.117,592 1.241,593 4.407,594 0.125,595 0.012,596 0.069,597 0.049,598 0.026,599 0.008,600 0.014,601 0.02,602 0.012,603 0.009,604 0.345,605 0.5,606 0.88,607 0.72,608 99.551,609 0.309,610 0.042,611 0.063,612 0.042,613 -0.005,614 0.007,615 0.2,616 -0.308,617 -0.071,618 -0.22,619 0.223,620 -0.199,621 -0.061,622 -0.014,623 0.009,624 -0.012,625 0.057,626 0.013,627 -0.174,628 0.168,629 -0.074,630 0.112,631 -0.054,632 0.057,633 -0.064,634 0.115,635 -0.169,636 0.001,637 -0.112,638 -0.085,639 0.202,640 -0.145,641 -0.112,642 -0.203,643 0.031,644 -0.214,645 0.129,646 -0.205,647 0.131,648 -0.129,649 0.06,650 -0.026,651 0.06,652 -0.109,653 0.344,654 -0.018,655 0.18,656 0.175,657 2.39,658 3.814,659 0.818,660 16.76,661 1.004,662 1.109,663 4.793,664 22.976,665 0.708,666 3.219,667 3.497,668 3.761,669 4.007,670 4.234,671 4.234,672 4.394,673 4.443,674 4.29,675 4.111,676 5.073,677 0.684,678 290.34,679 3.219,680 4.727,681 5.565,682 6.425,683 7.284,684 8.155,685 9.023,686 9.899,687 10.771,688 11.65,689 5.6,697 1,700 1,707 14,712 4,714 18,726 1,727 1,733 36,735 20,736 3,737 24,739 38,740 18,741 18,742 4,743 14,747 3,748 3,762 18,766 2,768 1,771 2,782 14,783 3,785 4,791 2,796 1,797 2,816 3,845 3,854 22,868 1,878 5.6,884 2,885 11,886 6.4,887 4.944,888 2.044,890 2.512,891 1.385,892 0.996,893 4.058,894 9.038,895 3.584,896 4.167,897 4.698,898 5.253,899 5.809,900 5.955,901 6.417,902 6.81,903 7.052,904 7.262,905 1,906 33,907 8.057,909 3.371,910 7.894,911 15.168,913 12.107,915 2.394,916 52.667,920 164.795,921 143.694,922 8.794,924 50.747,927 143.694,928 215.542,929 8.794,930 5.67,932 132.667,934 14.151,936 164.795,937 50.747,938 164.795,939 152.489,940 50.747,943 164.795,945 50.747,947 3.124,948 143.694,949 5.67,951 164.795,952 59.541,953 143.694,956 164.795,957 11.027,958 141.462,960 50.747,961 164.795,962 59.541,963 143.694,965 0.568,966 0.331,967 0.182,968 0.103,969 15,970 6,971 0.105,972 4,974 1,975 3.405,976 172.252,978 18,979 72.107,985 14.146,986 6.311,987 3.117,989 53.871,990 26.399,995 2.97,998 368.031,999 35,1001 -0.39,1004 21.628,1011 36.16,1012 39.907,1013 0.289,1014 0.373,1015 0.465,1016 0.633,1017 0.742,1018 0.742,1019 4.766,1020 1,1021 5.517,1022 2.853,1023 4.174,1024 4.852,1025 2.577,1026 6.301,1027 4.125,1028 5.96,1029 1,1030 7.054,1031 2.275,1032 3.611,1033 4.443,1034 2.396,1035 7.204,1036 3.477,1037 7.246,1038 1,1039 8.701,1040 2.136,1041 5.72,1042 7.005,1043 4.162,1044 10.329,1045 5.591,1046 8.569,1047 0.374,1048 10.419,1049 2.136,1050 6.043,1051 7.417,1052 4.51,1053 12.149,1054 5.806,1055 9.924,1056 -0.527,1057 12.184,1058 1.025,1059 7.581,1060 9.409,1061 5.949,1062 14.781,1063 7.349,1064 11.302,1065 -0.705,1066 13.981,1067 -1.226,1068 8.323,1069 10.222,1070 6.556,1071 16.96,1072 7.983,1073 12.697,1074 -1,1075 15.803,1076 -1.547,1077 9.617,1078 11.941,1079 7.794,1080 19.438,1081 9.268,1082 3.143,1083 -1,1084 17.641,1085 -2,1086 10.564,1087 12.976,1088 8.548,1089 21.759,1090 10.116,1091 2.728,1092 11.162,1093 19.493,1094 -2.347,1095 11.755,1096 14.546,1097 9.67,1098 24.189,1099 11.281,1100 2.278,1101 8.176,1102 21.355,1103 4,1104 12.8,1105 15.712,1106 10.509,1107 26.565,1108 12.24,1109 2.16,1110 6.4,1111 23.225,1112 3.775,1113 13.951,1114 17.197,1115 11.563,1116 28.981,1117 13.351,1118 1.582,1119 6.267,1120 25.102,1121 3.298,1122 15.043,1123 18.442,1124 12.452,1125 31.378,1126 14.367,1127 1.317,1128 3.469,1129 26.985,1130 3.139,1131 16.181,1132 19.878,1133 13.468,1134 33.79,1135 15.456,1136 1.207,1137 2.88,1138 28.873,1139 2.306,1140 17.295,1141 21.173,1142 14.386,1143 36.196,1144 16.502,1145 4498,1146 8000,1147 16.296,1148 25.489,1149 35.741,1150 36.734,1151 36.447,1152 35.615,1153 35.578,1154 50.699,1155 6.825,1156 97.558,1157 34.836,1158 5.151,1159 5.779,1160 6.584,1161 5.088,1162 5.143,1163 7,1164 4.612,1165 17.916,1166 4.971,1167 8.41,1168 1.489,1169 1.531,1170 1.519,1171 1.484,1172 1.482,1173 2.112,1174 0.284,1175 4.065,1176 1.451,1177 4.043,1178 4.074,1179 4,1180 3.944,1181 7.815,1182 3.949,1183 3.888,1184 3.917,1185 3.84,1186 3.777,1187 6.999,1188 3.781,1189 3.808,1190 3.841,1191 3.729,1192 3.753,1193 4.855,1194 3.743,1195 3.479,1196 3.503,1197 3.447,1198 3.089,1199 4.688,1200 3.171,1201 3.023,1202 3.077,1203 2.942,1204 2.809,1205 4.636,1206 2.846,1207 2.854,1208 2.925,1209 2.687,1210 2.735,1211 3.875,1212 2.715,1213 2.854,1214 2.925,1215 2.687,1216 2.735,1217 3.674,1218 2.715,1219 2.854,1220 2.925,1221 2.687,1222 2.735,1223 3.674,1224 2.715,1225 0.183,1226 0.157,1227 0.283,1228 0.17,1229 0.131,1230 4.401,1231 0.167,1232 3.779,1233 0.109,1234 6.782,1235 0.465,1236 4.088,1237 0.124,1238 3.143,1239 4,1240 2.612,1241 11.162,1242 2.971,1243 1.982,1244 1.952,1245 2.077,1246 2.11,1247 1.174,1248 2.092,1249 1.848,1250 1.82,1251 1.961,1252 1.996,1253 1.024,1254 1.975,1255 1.824,1256 1.794,1257 1.959,1258 1.905,1259 1.01,1260 1.926,1261 1.22,1262 1.189,1263 1.293,1264 1.64,1265 0.356,1266 1.542,1267 0.945,1268 0.899,1269 1.181,1270 1.177,1271 0.218,1272 1.173,1273 0.886,1274 0.821,1275 1.181,1276 1.062,1277 0.218,1278 1.107,1279 0.886,1280 0.821,1281 1.181,1282 1.062,1283 0.218,1284 1.107,1285 0.886,1286 0.821,1287 1.111,1288 1.062,1289 0.091,1290 1.107,1291 3.892,1293 5.176,1295 6.676,1297 8.266,1299 9.902,1313 2.059,1318 24.633,1319 53.756,1320 69.511,1321 86.55,1322 117.853,1323 138.117,1324 138.117,1325 30.563,1326 6.526,1327 49.06,1328 49.06,1329 18,1330 12.188,1331 4.392,1332 3.585,1333 34.157,1334 62,1335 70,1336 0.259,1337 153.56,1338 263.36,1339 366.445,1340 4522,1342 15.364,1343 0.698,1344 0.536,1345 15.364,1346 11.794,1347 10.754,1348 0.448,1349 0.288,1350 6.836,1351 10.413,1352 6.704,1353 5.601,1354 10.754,1355 6.902,1356 9.292,1357 0.29,1358 0.149,1359 9.292,1360 4.78,1361 7.692,1362 0.183,1363 0.08,1364 7.692,1365 3.348,1366 6.389,1367 0.118,1368 0.043,1369 6.389,1370 2.325,1371 5.226,1372 0.077,1373 0.023,1374 5.226,1375 1.594,1376 0.39,1377 66.923,1378 0.248,1379 21.356,1380 0.761,1381 112,1382 342.761,1383 121.257,1384 337.217,1385 457.82,1386 312,1387 130,1388 345.59,1389 139.316,1390 346.319,1391 497.78,1392 326,1393 5.159}
{0 CHEMBL1370977,1 1.38,2 14.316,3 5.281,4 27.885,5 154.641,6 6.928,7 0.535,8 4.376,9 4.507,10 3.901,11 3.947,12 5.369,13 3.906,14 4.946,15 5.142,16 4.266,17 4.366,18 5.874,19 4.306,20 5.218,21 5.428,22 4.367,23 4.567,24 6.111,25 4.471,26 5.358,27 5.606,28 4.337,29 4.589,30 6.222,31 4.466,32 5.347,33 5.595,34 4.363,35 4.564,36 6.306,37 4.454,38 5.289,39 5.516,40 4.294,41 4.554,42 6.229,43 4.441,44 5.291,45 5.536,46 4.253,47 4.548,48 6.165,49 4.419,50 5.26,51 5.515,52 4.234,53 4.504,54 6.134,55 4.377,56 0.064,57 1.081,58 16.137,59 6.682,60 9.851,61 9.38,62 0.294,63 1.834,64 30.596,65 10.882,66 25.516,67 15.866,68 0.315,69 2.312,70 40.54,71 15.222,72 32.453,73 21.873,74 0.356,75 2.508,76 48.071,77 17.987,78 43.931,79 26.007,80 0.57,81 2.432,82 48.287,83 17.758,84 69.711,85 25.257,86 0.41,87 2.322,88 44.871,89 16.67,90 57.899,91 23.424,92 0.407,93 2.334,94 45.006,95 17.04,96 51.712,97 24.478,98 0.32,99 2.268,100 43.634,101 16.617,102 44.022,103 24.066,104 10,105 61,106 0.212,107 0.517,108 0.705,109 0.823,110 0.856,111 0.856,112 3.668,113 0.947,114 -4.8,115 -4.71,116 -4.42,119 43.8,120 1,121 1,124 1,125 7,141 12,142 5,143 2,145 2,156 1,171 15,174 10,177 1,179 3,182 16,185 1,186 10,191 5,194 12,198 1,199 8,204 1,207 10,212 2,213 10,216 3,218 3,221 15,226 6,231 1,234 16,238 1,239 10,244 1,247 16,251 12,254 1,256 2,259 18,264 4,269 2,271 13,274 3140,275 26.101,276 26.101,277 26.101,278 26.101,279 26.101,280 23.219,281 32.815,282 15.391,283 26.51,284 21.275,285 21.275,286 21.275,287 21.275,288 21.275,289 16.901,290 47.927,291 7.382,292 21.93,293 4.81,294 2.829,295 1.608,296 0.837,297 0.623,298 0.623,299 4.387,306 1,307 1216,308 3.317,312 607.509,316 298.124,319 2.05,320 24.232,323 0.75,324 0.67,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.75,331 79.5,332 544,333 4.695,334 3.676,335 6.983,336 4.289,337 3.299,338 4.603,339 1.058,340 11.891,341 3.266,342 4.294,343 3.235,344 6.242,345 3.936,346 2.971,347 3.924,348 0.995,349 9.381,350 2.873,351 3.987,352 3.161,353 6.019,354 3.677,355 2.714,356 3.495,357 0.8,358 8.579,359 2.621,360 3.904,361 2.928,362 5.957,363 3.617,364 2.665,365 3.441,366 0.8,367 8.406,368 2.527,369 3.853,370 2.829,371 5.67,372 3.478,373 2.484,374 3.167,375 0.359,376 7.554,377 2.468,378 3.701,379 2.638,380 5.527,381 3.359,382 2.379,383 3.006,385 7.357,386 2.328,387 3.339,388 2.576,389 5.041,390 3.169,391 2.237,392 2.401,394 6.081,395 2.078,396 3.265,397 2.28,398 5,399 3.002,400 2.058,401 2.374,403 5.943,404 1.935,405 3.067,406 2.087,407 4.697,408 2.655,409 1.672,410 2.221,412 4.8,413 1.637,414 2.912,415 1.678,416 4.332,417 2.437,418 1.444,419 2.101,421 3.938,422 1.434,423 2.818,424 1.59,425 4.136,426 2.392,427 1.414,428 1.932,430 3.525,431 1.387,432 2.806,433 1.52,434 4.094,435 2.385,436 1.397,437 1.917,439 3.383,440 1.377,441 2.613,442 1.452,443 3.658,444 2.325,445 1.333,446 1.629,448 3.051,449 1.31,450 2.537,451 1.429,452 3.592,453 2.246,454 1.255,455 1.534,457 3,458 1.243,459 2.5,460 1.146,461 3.414,462 2,463 1,464 1.5,466 2.275,467 1,468 18.333,469 0.482,470 0.883,471 0.023,472 49.5,473 1.303,474 24.5,475 0.645,476 25,477 0.658,478 36.399,479 0.958,480 39.867,481 0.546,482 40.613,483 1.069,484 9.772,485 0.257,486 8.775,487 0.231,488 0.073,490 0.338,493 0.813,494 1.367,495 0.842,496 1.086,497 0.598,498 0.983,499 1.145,500 1.04,501 0.939,502 0.865,503 0.585,504 0.866,505 1.093,506 1.14,507 1.067,508 1.081,509 0.867,510 1.068,511 0.979,512 1.072,513 0.971,514 1.05,515 0.961,516 1.014,517 1.175,518 0.887,519 0.916,520 0.916,521 1.523,522 0.902,523 1.59,524 1.039,525 1.118,526 1.03,527 2.051,528 1.041,529 1.079,530 0.997,531 1.018,532 0.988,533 1.229,534 1,535 0.844,536 0.986,537 0.915,538 0.979,539 0.77,540 0.955,541 7,542 0.268,543 4,544 2.375,545 2.618,546 1.299,547 1.128,548 0.689,549 0.508,550 0.342,551 23961,552 48841,553 2.175,554 47.9,555 3,556 29,559 1,560 2,564 1.79,565 2.073,566 3.737,567 -0.453,573 100.723,574 1.38,575 3.361,576 4.582,577 5.353,578 5.566,579 5.566,580 3.21,581 4.669,582 5.214,583 3.919,584 2755.26,585 9.205,586 45060,591 451.857,592 1.275,593 5.196,594 0.163,595 0.006,596 0.066,597 0.037,598 0.043,599 0.021,600 0.019,601 0.012,602 0.009,603 0.007,604 0.382,605 0.33,606 0.75,607 0.427,608 210.066,609 0.026,610 -0.196,611 0.078,612 -0.049,613 -0.005,614 0.006,615 -0.043,616 0.103,617 0.035,618 0.105,619 0.066,620 0.085,621 -0.073,622 -0.064,623 -0.098,624 -0.093,625 -0.024,626 -0.096,627 0.027,628 -0.076,629 0.015,630 -0.066,631 0.05,632 -0.03,633 0.165,634 0.095,635 0.095,636 0.062,637 0.127,638 0.071,639 -0.185,640 -0.039,641 -0.116,642 -0.04,643 -0.203,644 -0.069,645 -0.038,646 -0.007,647 -0.034,648 0.005,649 -0.073,650 -0.012,651 0.041,652 -0.001,653 0.065,654 0.013,655 0.085,656 0.038,657 1.725,658 6.967,659 0.842,660 47.712,661 0.988,662 1.122,663 3.569,664 12.741,665 0.67,666 3.784,667 4.127,668 4.431,669 4.736,670 5.05,671 5.142,672 5.342,673 5.533,674 5.687,675 5.799,676 8.05,677 0.626,678 505.72,679 3.784,680 5.342,681 6.209,682 7.099,683 7.984,684 8.881,685 9.774,686 10.676,687 11.575,688 12.48,689 6.8,692 2,695 1,696 1,699 1,706 2,707 12,708 1,712 7,714 23,720 1,727 1,733 73,735 24,736 3,737 43,739 78,740 32,741 21,742 6,743 12,744 1,747 6,748 9,753 1,757 1,760 1,762 22,763 10,766 1,771 1,775 1,782 35,783 6,784 1,785 6,791 5,796 0.667,797 1,809 1,816 6,820 2,841 2,845 4,850 2,854 38,862 8,864 1,868 3,878 1.4,881 1,885 18.333,886 13.717,887 8.194,888 4.522,890 4.395,891 1.49,892 1.027,893 7.053,894 13.367,895 4.034,896 4.64,897 5.234,898 5.841,899 6.441,900 6.704,901 7.133,902 7.541,903 7.923,904 8.18,905 0.9,906 65,907 14.133,909 6.07,910 7.478,911 27.887,913 23.683,915 1.978,916 75.167,920 400.217,921 178.645,922 44.169,924 25.145,927 178.645,928 425.362,929 44.169,930 17.222,931 35.285,932 113.715,933 46.635,934 35.103,936 400.217,938 400.217,939 222.815,940 25.145,943 400.217,944 25.145,947 55.26,948 150.769,949 16.786,951 400.217,952 69.314,953 178.645,956 400.217,957 47.709,958 140.309,959 18.011,960 41.93,961 400.217,962 69.314,963 178.645,965 0.584,966 0.343,967 0.191,968 0.113,969 31,970 13,971 0.064,972 5,973 2,974 1.125,975 4.805,976 392.722,977 0.125,978 32,979 191.421,985 24.907,986 10.761,987 5.299,988 1.798,989 69.314,990 24.951,991 4.978,995 7.289,997 18.011,998 648.177,999 55.5,1004 13.967,1008 -0.058,1011 72.09,1012 81.929,1013 0.223,1014 0.543,1015 0.74,1016 0.865,1017 0.899,1018 0.899,1019 5.287,1020 2.058,1021 6.192,1022 6.081,1023 4.812,1024 5.328,1025 1.975,1026 7.017,1027 4.755,1028 6.484,1029 1.672,1030 7.754,1031 5.943,1032 4.369,1033 5.112,1034 0.766,1035 7.923,1036 4.279,1037 7.789,1038 1.444,1039 9.415,1040 4.8,1041 6.415,1042 7.522,1043 1.772,1044 11.058,1045 6.304,1046 9.128,1047 1.414,1048 11.137,1049 3.938,1050 6.792,1051 8.154,1052 0.82,1053 12.826,1054 6.659,1055 10.501,1056 1.397,1057 12.899,1058 3.525,1059 8.298,1060 10.044,1061 1.715,1062 15.487,1063 8.146,1064 11.899,1065 1.333,1066 14.689,1067 3.383,1068 9.071,1069 11.101,1070 0.792,1071 17.638,1072 8.906,1073 13.318,1074 1.255,1075 16.501,1076 3.051,1077 10.355,1078 12.77,1079 1.718,1080 20.149,1081 10.174,1082 3.299,1083 1,1084 18.331,1085 3,1086 11.325,1087 14.049,1088 0.756,1089 22.475,1090 11.138,1091 2.971,1092 11.891,1093 20.174,1094 2.275,1095 12.521,1096 15.621,1097 1.751,1098 24.945,1099 12.321,1100 2.714,1101 9.381,1102 22.03,1103 4.603,1104 13.59,1105 17.017,1106 0.726,1107 27.35,1108 13.386,1109 2.665,1110 8.579,1111 23.896,1112 3.924,1113 14.757,1114 18.55,1115 1.803,1116 29.813,1117 14.544,1118 2.484,1119 8.406,1120 25.771,1121 3.495,1122 15.876,1123 20.006,1124 0.702,1125 32.254,1126 15.658,1127 2.379,1128 7.554,1129 27.653,1130 3.441,1131 17.037,1132 21.526,1133 1.866,1134 34.719,1135 16.813,1136 2.237,1137 7.357,1138 29.544,1139 3.167,1140 18.183,1141 23.013,1142 0.684,1143 37.178,1144 17.953,1145 21922,1146 31489,1147 29.531,1148 48.904,1149 65.05,1150 65.823,1151 66.036,1152 64.626,1153 64.561,1154 82.813,1155 8.024,1156 187.462,1157 62.755,1158 5.695,1159 5.676,1160 6.785,1161 5.356,1162 5.299,1163 7.603,1164 2.117,1165 19.425,1166 5.266,1167 14.427,1168 1.513,1169 1.531,1170 1.536,1171 1.503,1172 1.501,1173 1.926,1174 0.187,1175 4.36,1176 1.459,1177 4.131,1178 4.16,1179 4.095,1180 4.055,1181 7.429,1182 4.061,1183 3.969,1184 4.012,1185 3.909,1186 3.881,1187 4.958,1188 3.882,1189 3.912,1190 3.946,1191 3.838,1192 3.848,1193 4.76,1194 3.841,1195 3.756,1196 3.823,1197 3.643,1198 3.596,1199 4.738,1200 3.593,1201 3.701,1202 3.752,1203 3.605,1204 3.568,1205 4.412,1206 3.575,1207 3.426,1208 3.463,1209 3.363,1210 3.249,1211 4.356,1212 3.266,1213 3.247,1214 3.333,1215 3.136,1216 3.062,1217 4.076,1218 3.068,1219 3.217,1220 3.293,1221 3.061,1222 3.039,1223 3.986,1224 3.028,1225 0.109,1226 0.085,1227 0.162,1228 0.1,1229 0.077,1230 4.695,1231 0.107,1232 3.676,1233 0.025,1234 6.983,1235 0.277,1236 4.289,1237 0.076,1238 3.299,1239 4.603,1240 1.058,1241 11.891,1242 3.266,1243 2.074,1244 2.052,1245 2.145,1246 2.166,1247 1.378,1248 2.161,1249 1.938,1250 1.905,1251 2.058,1252 2.069,1253 1.309,1254 2.07,1255 1.912,1256 1.881,1257 2.039,1258 2.002,1259 1.172,1260 2.016,1261 1.719,1262 1.654,1263 1.928,1264 1.918,1265 1.116,1266 1.926,1267 1.697,1268 1.645,1269 1.875,1270 1.837,1271 1.06,1272 1.854,1273 1.357,1274 1.319,1275 1.568,1276 1.567,1277 0.825,1278 1.549,1279 1.232,1280 1.149,1281 1.528,1282 1.479,1283 0.749,1284 1.509,1285 1.202,1286 1.133,1287 1.513,1288 1.414,1289 0.665,1290 1.435,1291 4.466,1293 5.802,1295 7.343,1297 8.978,1299 10.663,1301 4.251,1307 7.533,1309 3.259,1313 7.201,1318 45.724,1319 100.723,1320 245.346,1321 334.499,1322 390.738,1323 406.347,1324 406.347,1325 57.137,1326 8.972,1327 51.71,1328 51.71,1329 36,1330 13,1331 4.644,1332 3.755,1333 52.96,1334 175,1335 224,1336 0.14,1337 276.204,1338 476.51,1339 665.698,1340 121323,1342 26.062,1343 0.686,1344 0.586,1345 26.062,1346 22.282,1347 18.547,1348 0.431,1349 0.316,1350 13.43,1351 18.043,1352 13.031,1353 10.781,1354 18.547,1355 13.572,1356 16.908,1357 0.277,1358 0.174,1359 16.908,1360 10.619,1361 14.557,1362 0.175,1363 0.096,1364 14.557,1365 7.928,1366 12.488,1367 0.111,1368 0.051,1369 12.488,1370 5.716,1371 11.024,1372 0.071,1373 0.028,1374 11.024,1375 4.313,1376 0.22,1377 114.559,1378 0.184,1379 34.381,1380 0.382,1381 208,1382 482.649,1383 220.567,1384 480.301,1385 676.87,1386 454,1387 248,1388 510.397,1389 262.372,1390 525.709,1391 773.09,1392 495,1393 4.909}
{0 CHEMBL1371432,1 1.716,2 8.65,3 1.764,4 3.112,5 73.286,6 7.923,7 0.476,8 3.671,9 3.785,10 3.267,11 3.113,12 4.911,13 3.129,14 4.182,15 4.337,16 3.596,17 3.475,18 5.512,19 3.477,20 4.363,21 4.551,22 3.646,23 3.569,24 5.586,25 3.548,26 4.497,27 4.716,28 3.636,29 3.508,30 5.778,31 3.506,32 4.32,33 4.503,34 3.443,35 3.352,36 5.73,37 3.348,38 4.2,39 4.435,40 3.241,41 3.195,42 5.435,43 3.155,44 4.066,45 4.273,46 3.106,47 3.069,48 5.584,49 3.019,50 3.783,51 3.976,52 2.837,53 2.985,54 4.83,55 2.906,56 0.181,57 0.512,58 6.634,59 2.879,60 6.687,61 3.703,62 0.434,63 0.764,64 13.15,65 4.656,66 56.515,67 6.194,68 0.447,69 0.883,70 16.116,71 5.461,72 35.374,73 7.542,74 0.68,75 0.86,76 21.233,77 5.49,78 74.132,79 7.92,80 0.599,81 0.712,82 16.866,83 4.716,84 73.682,85 6.278,86 0.506,87 0.62,88 15.98,89 4.345,90 51.925,91 6.308,92 0.619,93 0.521,94 13.954,95 3.895,96 101.242,97 5.428,98 0.206,99 0.465,100 9.003,101 3.33,102 25.012,103 4.537,104 34,105 29,106 0.314,107 0.686,108 0.827,109 0.869,110 0.869,111 0.869,112 3.058,113 0.869,114 -2.64,115 -2.66,116 -2.59,119 37.1,120 1,124 1,125 1,127 1,141 4,142 1,143 1,150 2,156 1,164 2,171 4,173 1,174 1,177 1,179 3,182 3,186 6,189 3,190 1,191 3,194 2,199 8,202 2,204 2,207 1,212 1,213 5,218 2,221 1,225 1,226 3,229 2,231 2,234 1,238 2,239 1,242 2,247 1,251 2,259 2,263 1,264 4,274 480,275 13.146,276 13.146,277 13.146,278 13.146,279 13.146,280 11.62,281 13.939,282 7.816,283 13.466,284 10.315,285 10.315,286 10.315,287 10.315,288 10.315,289 7.932,290 15.776,291 3.607,292 10.723,293 3.413,294 1.387,295 0.615,296 0.386,297 0.386,298 0.386,299 3.71,304 1,305 1,306 1,307 352,308 3.742,311 41.577,312 55.331,315 81.826,319 1.385,320 29.679,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 45.5,332 173,333 4.635,334 3.807,335 6.69,336 4.15,337 3.175,338 4.595,339 2.612,340 10.82,341 3.095,342 4.099,343 3.578,344 6.033,345 3.706,346 2.723,347 3.654,348 1.058,349 8.585,350 2.669,351 3.768,352 2.902,353 5.516,354 3.319,355 2.357,356 3.165,357 0.86,358 6.911,359 2.268,360 3.285,361 2.537,362 5.007,363 3.089,364 2.11,365 2.371,367 5.884,368 2.054,369 3.025,370 1.927,371 4.37,372 2.481,373 1.5,374 2.24,376 3.921,377 1.468,378 2.964,379 1.756,380 3.989,381 2.336,382 1.345,383 2.111,385 3.242,386 1.332,387 2.55,388 1.667,389 3.727,390 2.076,391 1.144,392 1.492,394 2.77,395 1.058,396 2.014,397 1.326,398 3.151,399 1.788,400 0.883,401 0.978,403 1.527,404 0.785,405 1.959,406 1,407 2.983,408 1.404,409 0.433,410 0.659,412 1.138,413 0.42,414 1,415 0.573,416 2.373,417 0.572,418 -0.387,419 -0.427,421 -0.697,422 -0.357,423 0.931,424 0.421,425 2.283,426 0.434,427 -0.555,428 -0.684,430 -1.293,431 -0.539,432 0.84,433 -0.04,434 2,435 0.271,436 -0.672,437 -0.833,439 -1.419,440 -0.639,441 0.5,442 -0.351,443 1.756,445 -1,446 -1.5,448 -2,449 -0.982,450 0.393,451 -0.88,452 1.572,453 -0.016,454 -1,455 -1.565,457 -2.87,458 -1,459 0.183,460 -1,461 1.383,462 -0.179,463 -1.204,464 -1.669,466 -3.303,467 -1.23,468 9.033,469 0.452,470 0.562,471 0.028,472 25.5,473 1.275,474 12.5,475 0.625,476 13,477 0.65,478 13.61,479 0.681,480 22.767,481 0.65,482 18.956,483 0.948,484 5.312,485 0.266,486 4.212,487 0.211,488 0.221,490 0.376,493 0.572,494 1.313,495 0.718,496 1.127,497 0.524,498 0.985,499 0.808,500 1.2,501 0.788,502 0.97,503 0.47,504 0.894,505 0.716,506 1.118,507 0.908,508 1.137,509 0.643,510 1.078,511 1.127,512 0.983,513 0.9,514 0.858,515 1.069,516 0.815,517 1.315,518 1.114,519 1.16,520 1.102,521 1.525,522 1.085,523 0.933,524 0.83,525 0.915,526 0.897,527 1.055,528 0.896,529 0.926,530 0.818,531 1.038,532 0.896,533 0.859,534 0.992,535 0.79,536 1.259,537 1.158,538 1.397,539 0.716,540 1.382,541 4.5,542 0.053,543 2.444,544 1.632,545 1.258,546 0.674,547 0.426,548 0.187,549 0.193,550 0.065,551 3322,552 11837,553 1.938,554 42.9,556 10,559 2,561 3,564 1.619,565 1.765,566 3.096,567 0.459,569 1,571 1,573 60.061,574 1.716,575 3.743,576 4.515,577 4.743,578 4.743,579 4.743,580 2.546,581 3.822,582 4.289,583 3.225,584 612.737,585 7.336,586 6235.4,587 1,588 1,590 1,591 179.525,592 1.559,593 4.219,594 0.214,595 0.011,596 0.084,597 0.056,598 0.045,599 0.031,600 0.024,601 0.012,602 0.016,603 0.007,604 0.5,605 0.5,606 1,607 1.913,608 88.4,609 0.097,610 -0.018,611 0.04,612 -0.001,613 -0.02,614 -0.003,615 0.033,616 -0.084,617 0.079,618 0.097,619 0.164,620 0.094,621 0.037,622 -0.005,623 -0.025,624 -0.126,625 0.015,626 -0.101,627 -0.104,628 -0.04,629 0.108,630 0.069,631 -0.057,632 0.138,633 -0.184,634 -0.147,635 -0.179,636 -0.15,637 -0.175,638 -0.153,639 0.008,640 0.096,641 0.096,642 0.032,643 -0.062,644 0.08,645 0.183,646 0.08,647 -0.019,648 0.056,649 0.286,650 -0.028,651 -0.098,652 -0.208,653 -0.286,654 -0.338,655 -0.109,656 -0.356,657 2.478,658 5.013,659 0.45,660 15.1,661 1.026,662 1.138,663 1.41,664 1.989,665 0.64,666 3.091,667 3.401,668 3.638,669 3.892,670 4.043,671 4.127,672 4.19,673 4.174,674 4.025,675 3.912,676 5.139,677 0.631,678 277.31,679 3.091,680 4.615,681 5.451,682 6.33,683 7.195,684 8.083,685 8.962,686 9.854,687 10.741,688 11.636,689 8.6,696 1,697 1,700 1,706 2,707 4,709 1,712 2,714 10,720 1,726 1,733 35,735 13,736 1,737 21,739 36,740 13,741 8,742 3,743 3,744 1,747 2,748 3,753 1,760 1,762 9,763 4,766 3,768 1,771 3,775 1,778 1,779 1,782 15,783 5,784 2,785 7,791 3,796 0.5,797 4,811 1,815 1,816 1,819 1,844 1,845 1,850 2,854 20,862 1,864 1,865 1,867 1,878 11.4,881 1,882 1,884 2,885 11.333,886 6.783,887 4.528,888 1.922,890 2.365,891 1.371,892 0.929,893 4.371,894 8.735,895 3.401,896 4.012,897 4.591,898 5.23,899 5.755,900 6.152,901 6.537,902 6.783,903 6.742,904 6.92,905 0.833,906 29,907 7.379,909 3.12,910 8.233,911 13.439,913 10.517,915 2.733,916 54.667,920 153.024,921 77.141,922 40.466,924 86.892,927 77.141,928 239.916,929 40.466,930 25.378,931 22.603,932 37.905,933 40.849,934 22.115,935 4.901,936 153.024,937 50.747,938 153.024,939 117.607,940 86.892,943 117.711,944 60.458,945 61.747,947 48.214,948 63.723,949 5.67,951 153.024,952 127.358,953 77.141,956 153.024,957 19.528,958 63.283,959 34.796,960 86.892,961 153.024,962 127.358,963 77.141,965 0.575,966 0.331,967 0.179,968 0.092,969 13,970 7,971 0.139,972 5,973 1,974 1.222,975 3.132,976 143.576,977 0.222,978 9,979 84.439,985 14.499,986 6.029,987 3.173,988 0.978,989 104.902,990 6.295,992 2.798,995 0.24,997 34.796,998 357.523,999 29,1001 -0.478,1004 33.864,1008 -0.319,1011 35.916,1012 39.824,1013 0.335,1014 0.73,1015 0.88,1016 0.925,1017 0.925,1018 0.925,1019 4.62,1020 0.883,1021 5.451,1022 2.77,1023 4.078,1024 4.696,1025 2.768,1026 6.271,1027 4.016,1028 5.846,1029 0.433,1030 7.022,1031 1.527,1032 3.761,1033 4.705,1034 2.361,1035 7.213,1036 3.701,1037 7.171,1038 -0.387,1039 8.695,1040 1.138,1041 5.673,1042 6.979,1043 4.209,1044 10.311,1045 5.561,1046 8.536,1047 -0.555,1048 10.426,1049 -0.697,1050 6.155,1051 7.827,1052 4.506,1053 12.079,1054 6.036,1055 9.934,1056 -0.672,1057 12.194,1058 -1.293,1059 7.578,1060 9.619,1061 5.957,1062 14.704,1063 7.421,1064 11.357,1065 -1,1066 13.988,1067 -1.419,1068 8.417,1069 10.838,1070 6.556,1071 16.815,1072 8.244,1073 12.8,1074 -1,1075 15.8,1076 -2,1077 9.654,1078 12.455,1079 7.796,1080 19.277,1081 9.451,1082 3.175,1083 -1.204,1084 17.626,1085 -2.87,1086 10.657,1087 13.84,1088 8.548,1089 21.537,1090 10.432,1091 2.723,1092 10.82,1093 19.464,1094 -3.303,1095 11.825,1096 15.393,1097 9.67,1098 23.941,1099 11.574,1100 2.357,1101 8.585,1102 21.31,1103 4.595,1104 12.903,1105 16.852,1106 10.509,1107 26.266,1108 12.627,1109 2.11,1110 6.911,1111 23.164,1112 3.654,1113 14.049,1114 18.382,1115 11.563,1116 28.65,1117 13.749,1118 1.5,1119 5.884,1120 25.024,1121 3.165,1122 15.162,1123 19.874,1124 12.452,1125 31.004,1126 14.836,1127 1.345,1128 3.921,1129 26.889,1130 2.371,1131 16.303,1132 21.397,1133 13.468,1134 33.383,1135 15.952,1136 1.144,1137 3.242,1138 28.758,1139 2.24,1140 17.433,1141 22.906,1142 14.386,1143 35.751,1144 17.057,1145 3493,1146 6705,1147 13.235,1148 22.404,1149 31.743,1150 33.268,1151 33.219,1152 31.298,1153 31.338,1154 42.529,1155 9.062,1156 89.596,1157 30.297,1158 5.519,1159 5.807,1160 6.462,1161 5.18,1162 5.175,1163 7.595,1164 4.612,1165 17.881,1166 5.095,1167 12.163,1168 1.512,1169 1.584,1170 1.582,1171 1.49,1172 1.492,1173 2.025,1174 0.432,1175 4.266,1176 1.443,1177 4.159,1178 4.189,1179 4.13,1180 4.047,1181 7.815,1182 4.061,1183 3.736,1184 3.785,1185 3.676,1186 3.522,1187 7.429,1188 3.538,1189 3.611,1190 3.645,1191 3.535,1192 3.346,1193 6.999,1194 3.37,1195 3.384,1196 3.419,1197 3.303,1198 3.049,1199 4.918,1200 3.126,1201 3.234,1202 3.312,1203 3.046,1204 2.941,1205 4.643,1206 2.948,1207 3.013,1208 3.069,1209 2.871,1210 2.759,1211 4.26,1212 2.785,1213 2.746,1214 2.87,1215 2.638,1216 2.492,1217 4.101,1218 2.507,1219 2.744,1220 2.809,1221 2.387,1222 2.434,1223 3.683,1224 2.448,1225 0.221,1226 0.181,1227 0.319,1228 0.198,1229 0.151,1230 4.635,1231 0.219,1232 3.807,1233 0.124,1234 6.69,1235 0.515,1236 4.15,1237 0.147,1238 3.175,1239 4.595,1240 2.612,1241 10.82,1242 3.095,1243 1.95,1244 1.928,1245 2.024,1246 2.107,1247 1.153,1248 2.067,1249 1.693,1250 1.644,1251 1.901,1252 1.922,1253 1.131,1254 1.913,1255 1.517,1256 1.471,1257 1.652,1258 1.731,1259 0.716,1260 1.714,1261 1.202,1262 1.15,1263 1.582,1264 1.653,1265 0.595,1266 1.553,1267 1.157,1268 1.096,1269 1.287,1270 1.513,1271 0.42,1272 1.52,1273 1.016,1274 0.962,1275 1.228,1276 1.219,1277 0.3,1278 1.221,1279 0.827,1280 0.726,1281 1.223,1282 1.151,1283 0.142,1284 1.189,1285 0.733,1286 0.65,1287 0.997,1288 1.075,1290 1.087,1291 3.761,1293 5.069,1294 2.398,1295 6.564,1296 4.727,1297 8.152,1298 6.862,1299 9.794,1301 3.363,1307 0.395,1309 2.742,1310 4.936,1312 -0.145,1318 22.084,1319 60.061,1320 130.996,1321 158.015,1322 166.015,1323 166.015,1324 166.015,1325 46.605,1326 6.37,1327 99.94,1328 99.94,1329 11,1330 12.163,1331 3.807,1332 3.17,1333 36.409,1334 61,1335 70,1336 0.306,1337 139.488,1338 239.26,1339 332.11,1340 3918,1342 14.698,1343 0.735,1344 0.559,1345 14.698,1346 11.174,1347 9.524,1348 0.454,1349 0.29,1350 5.946,1351 8.923,1352 5.774,1353 4.841,1354 9.524,1355 6.085,1356 8.601,1357 0.297,1358 0.156,1359 8.601,1360 4.511,1361 6.665,1362 0.18,1363 0.078,1364 6.665,1365 2.87,1366 5.618,1367 0.117,1368 0.042,1369 5.618,1370 2.008,1371 4.022,1372 0.072,1373 0.02,1374 4.022,1375 1.147,1376 0.469,1377 61.644,1378 0.275,1379 19.805,1380 0.867,1381 100,1382 387.253,1383 114.713,1384 361.947,1385 469.22,1386 332,1387 116,1388 330.954,1389 130.8,1390 329.778,1391 474.12,1392 305,1393 4.852}
{0 CHEMBL1372112,1 1.493,2 8.522,3 3.755,4 14.1,5 95.956,6 8.705,7 0.48,8 3.839,9 3.945,10 3.551,11 3.453,12 4.858,13 3.4,14 4.398,15 4.562,16 3.928,17 3.846,18 5.355,19 3.765,20 4.673,21 4.878,22 3.981,23 4.001,24 5.617,25 3.873,26 4.704,27 4.931,28 3.815,29 3.953,30 5.673,31 3.811,32 4.715,33 4.955,34 3.863,35 3.943,36 5.678,37 3.837,38 4.696,39 4.893,40 4.041,41 4.005,42 5.76,43 3.904,44 4.74,45 4.957,46 3.907,47 4.025,48 5.709,49 3.864,50 4.681,51 4.949,52 3.822,53 3.85,54 5.447,55 3.623,56 0.012,57 0.549,58 7.388,59 4.193,60 5.068,61 5.397,62 0.156,63 0.941,64 16.887,65 7.124,66 16.605,67 8.989,68 0.273,69 1.187,70 31.72,71 10.254,72 29.63,73 12.932,74 0.237,75 1.201,76 32.612,77 10.839,78 41.681,79 14.002,80 0.239,81 1.224,82 27.599,83 10.282,84 39.96,85 13.49,86 0.283,87 1.215,88 26.627,89 9.927,90 45.63,91 12.575,92 0.308,93 1.25,94 30.306,95 11.183,96 48.358,97 14.469,98 0.197,99 1.133,100 38.843,101 11.447,102 30.714,103 14.934,104 5,105 33,106 0.262,107 0.536,108 0.679,109 0.786,110 0.797,111 0.797,112 3.189,113 1.042,114 -4.53,115 -4.46,116 -4.2,117 1,119 44.2,122 1,125 5,141 9,142 2,143 1,155 1,171 11,174 3,182 15,185 1,186 4,194 12,198 1,199 7,207 8,213 7,221 8,226 6,234 10,238 1,239 3,247 7,251 5,259 4,264 3,271 2,274 831,275 15.759,276 15.759,277 15.759,278 15.759,279 15.759,280 14.189,281 15.681,282 9.642,283 16.166,284 12.355,285 12.355,286 12.355,287 12.355,288 12.355,289 10.069,290 18.498,291 4.626,292 13.03,293 3.934,294 2.369,295 1.553,296 0.948,297 0.884,298 0.884,299 3.872,304 1,305 1,306 1,307 418,308 3,312 245.983,319 1.195,320 18.095,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 48.25,332 196,333 4.341,334 3.801,335 6.622,336 4.1,337 3.09,338 3.834,339 1.447,340 10.509,341 3.122,342 3.97,343 2.946,344 5.755,345 3.573,346 2.604,347 3.522,348 0.86,349 7.787,350 2.538,351 3.628,352 2.862,353 5.322,354 3.365,355 2.437,356 3.013,357 0.8,358 6.882,359 2.255,360 3.494,361 2.708,362 5.029,363 3.138,364 2.221,365 2.543,367 5.991,368 1.97,369 3.083,370 2.152,371 4.558,372 2.708,373 1.745,374 2.251,376 4.48,377 1.622,378 2.717,379 1.971,380 3.711,381 2.317,382 1.437,383 1.754,385 3.074,386 1.262,387 2.5,388 1.709,389 3.593,390 2.205,391 1.208,392 1.5,394 2.843,395 1.158,396 2.5,397 1.256,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 2.484,406 1.049,407 3.28,408 2,409 1,410 1.471,412 2.136,413 1,414 2,415 1,416 3.247,417 1.952,418 1,419 1,421 2.136,422 0.946,423 1.912,424 1,425 3.247,426 1.588,427 0.585,428 0.717,430 1.494,431 0.567,432 1.114,433 0.426,434 2.594,435 0.643,436 -0.234,437 -0.272,439 -0.52,440 -0.141,441 0.827,442 0.109,443 2.239,444 0.566,445 -0.365,446 -0.44,448 -0.848,449 -0.328,450 0.517,451 -0.36,452 2,453 0.171,454 -0.82,455 -0.979,457 -1.79,458 -0.807,459 0.5,460 -0.452,461 1.695,463 -1,464 -1,466 -2.347,467 -0.846,468 11.9,469 0.517,470 0.435,471 0.019,472 27.5,473 1.196,474 13.5,475 0.587,476 14,477 0.609,478 19.976,479 0.869,480 24.1,481 0.56,482 18.114,483 0.788,484 5.389,485 0.234,486 5.848,487 0.254,488 0.14,490 0.244,493 0.688,494 1.226,495 0.502,496 0.899,497 0.552,498 0.923,499 1.225,500 1.012,501 0.603,502 0.805,503 0.751,504 0.915,505 1.064,506 0.991,507 0.876,508 0.955,509 0.973,510 1.013,511 0.868,512 1.086,513 0.695,514 0.985,515 1.357,516 1.03,517 1.054,518 0.889,519 0.313,520 0.668,521 1.418,522 0.755,523 1.19,524 1.044,525 0.493,526 0.881,527 1.688,528 0.978,529 0.839,530 1.078,531 0.672,532 0.989,533 1.098,534 1.122,535 0.607,536 1.075,537 0.955,538 1.097,539 0.332,540 1.109,541 3.5,542 0.037,543 2.222,544 1.25,545 1.204,546 0.729,547 0.266,548 0.219,549 0.196,550 0.093,551 5291,552 14764,553 2.093,554 46.5,556 19,560 1,564 1.665,565 2,566 3.061,567 -0.815,569 1,573 64.18,574 1.493,575 3.057,576 3.873,577 4.478,578 4.543,579 4.543,580 2.475,581 4.002,582 4.494,583 3.194,584 808.154,585 7.781,586 9228.7,588 1,590 1,591 233.329,592 1.214,593 4.473,594 0.14,595 0.009,596 0.067,597 0.038,598 0.04,599 0.021,600 0.008,601 0.008,602 0.01,603 0.009,604 0.351,605 0.5,606 1,607 0.503,608 106.148,609 0.008,610 -0.129,611 0.007,612 -0.04,613 -0.007,614 -0.004,615 -0.175,616 0.082,617 -0.007,618 0.051,619 -0.079,620 -0.013,621 -0.064,622 0.03,623 -0.054,624 -0.029,625 -0.009,626 -0.066,627 0.037,628 -0.115,629 -0.031,630 -0.087,631 0.031,632 -0.068,633 -0.032,634 0.098,635 0.071,636 0.151,637 -0.015,638 0.181,639 -0.071,640 -0.025,641 0.02,642 -0.036,643 -0.122,644 -0.061,645 0.034,646 -0.099,647 -0.03,648 -0.096,649 -0.069,650 -0.165,651 0.072,652 -0.16,653 0.02,654 -0.104,655 0.032,656 -0.09,657 1.491,658 6.057,659 0.783,660 17.255,661 0.996,662 1.114,663 3.3,664 10.891,665 0.695,666 3.258,667 3.526,668 3.761,669 3.97,670 4.205,671 4.143,672 4.205,673 4.263,674 4.263,675 4.111,676 5.265,677 0.645,678 374.3,679 3.258,680 4.762,681 5.587,682 6.435,683 7.28,684 8.136,685 8.99,686 9.851,687 10.709,688 11.572,689 2.3,692 1,707 9,712 3,714 12,719 1,732 1,733 43,735 13,736 2,737 25,738 1,739 45,740 19,741 12,742 3,743 9,744 1,747 3,748 3,762 13,763 6,764 1,766 1,771 1,775 1,779 1,782 20,783 3,785 4,786 1,791 1,796 1,797 2,816 3,841 1,844 1,845 3,849 1,854 23,862 5,865 1,867 1,868 1,877 1,878 4.7,881 1,882 1,885 11.5,886 7.51,887 5.167,888 2.607,890 1.703,891 1.261,892 0.972,893 5.604,894 8.222,895 3.497,896 3.989,897 4.477,898 4.938,899 5.429,900 5.414,901 5.614,902 5.823,903 6.044,904 6.186,905 0.833,906 33,907 8.548,909 3.574,910 7.62,911 16.633,913 13.633,915 2.12,916 48.75,919 1,920 235.422,921 115.348,922 49.078,924 36.145,927 161.302,928 271.567,929 3.124,931 15.502,932 85.286,933 41.278,934 12.551,936 235.422,937 45.954,938 235.422,939 118.472,940 36.145,942 45.954,943 235.422,944 25.145,945 11,947 18.626,948 99.846,950 45.954,951 235.422,952 39.269,953 161.302,956 235.422,957 30.062,958 88.411,959 45.954,960 36.145,961 235.422,962 39.269,963 161.302,965 0.567,966 0.326,967 0.174,968 0.102,969 15,970 6,971 0.111,972 5,974 1,975 3.527,976 180.394,978 18,979 92.042,985 16.38,986 7.869,987 4.286,989 39.269,990 17.688,995 2.82,998 435.993,999 32,1004 13.057,1008 0.176,1011 42.822,1012 47.911,1013 0.275,1014 0.563,1015 0.714,1016 0.825,1017 0.837,1018 0.837,1019 4.7,1020 1,1021 5.533,1022 2.843,1023 4.205,1024 4.673,1025 2.032,1026 6.282,1027 4.123,1028 5.848,1029 1,1030 7.05,1031 2.275,1032 3.611,1033 4.182,1034 0.325,1035 7.076,1036 3.477,1037 7.108,1038 1,1039 8.673,1040 2.136,1041 5.727,1042 6.699,1043 2.427,1044 10.188,1045 5.611,1046 8.401,1047 0.585,1048 10.361,1049 2.136,1050 5.994,1051 7.031,1052 0.268,1053 11.874,1054 5.889,1055 9.73,1056 -0.234,1057 12.095,1058 1.494,1059 7.538,1060 9.009,1061 3.018,1062 14.495,1063 7.432,1064 11.082,1065 -0.365,1066 13.861,1067 -0.52,1068 8.223,1069 9.74,1070 0.188,1071 16.551,1072 8.158,1073 12.453,1074 -0.82,1075 15.65,1076 -0.848,1077 9.517,1078 11.459,1079 3.695,1080 19.003,1081 9.45,1082 3.09,1083 -1,1084 17.457,1085 -1.79,1086 10.415,1087 12.412,1088 0.125,1089 21.223,1090 10.393,1091 2.604,1092 10.509,1093 19.279,1094 -2.347,1095 11.599,1096 13.984,1097 4.409,1098 23.613,1099 11.582,1100 2.437,1101 7.787,1102 21.112,1103 3.834,1104 12.607,1105 15.073,1106 0.082,1107 25.905,1108 12.627,1109 2.221,1110 6.882,1111 22.954,1112 3.522,1113 13.745,1114 16.556,1115 5.137,1116 28.272,1117 13.777,1118 1.745,1119 5.991,1120 24.803,1121 3.013,1122 14.809,1123 17.731,1124 0.054,1125 30.596,1126 14.871,1127 1.437,1128 4.48,1129 26.659,1130 2.543,1131 15.932,1132 19.158,1133 5.872,1134 32.954,1135 16.008,1136 1.208,1137 3.074,1138 28.521,1139 2.251,1140 17.024,1141 20.389,1142 0.035,1143 35.293,1144 17.124,1145 5148,1146 8688,1147 16.989,1148 29.881,1149 37.101,1150 37.923,1151 37.475,1152 36.947,1153 36.655,1154 46.208,1155 6.214,1156 99.211,1157 34.879,1158 5.341,1159 5.801,1160 6.424,1161 5.204,1162 5.09,1163 6.834,1164 2.894,1165 17.646,1166 5.122,1167 8.262,1168 1.484,1169 1.517,1170 1.499,1171 1.478,1172 1.466,1173 1.848,1174 0.249,1175 3.968,1176 1.395,1177 4.004,1178 4.03,1179 6.88,1180 3.943,1181 7.426,1182 3.935,1183 3.856,1184 3.882,1185 3.923,1186 3.817,1187 4.762,1188 3.801,1189 3.768,1190 3.823,1191 3.733,1192 3.565,1193 4.706,1194 3.577,1195 3.429,1196 3.46,1197 3.647,1198 3.303,1199 4.62,1200 3.298,1201 3.111,1202 3.206,1203 3.287,1204 2.941,1205 3.999,1206 2.91,1207 3.027,1208 3.06,1209 2.866,1210 2.91,1211 3.72,1212 2.871,1213 2.854,1214 2.925,1215 2.855,1216 2.735,1217 3.674,1218 2.715,1219 2.854,1220 2.925,1221 2.687,1222 2.735,1223 3.674,1224 2.715,1225 0.174,1226 0.152,1227 0.265,1228 0.164,1229 0.124,1230 4.341,1231 0.153,1232 3.801,1233 0.058,1234 6.622,1235 0.42,1236 4.1,1237 0.125,1238 3.09,1239 3.834,1240 1.447,1241 10.509,1242 3.122,1243 1.967,1244 1.945,1245 2.075,1246 2.062,1247 1.319,1248 2.068,1249 1.861,1250 1.838,1251 1.953,1252 1.942,1253 1.153,1254 1.95,1255 1.712,1256 1.653,1257 1.925,1258 1.923,1259 1.057,1260 1.935,1261 1.396,1262 1.361,1263 1.603,1264 1.57,1265 0.833,1266 1.582,1267 1.153,1268 1.064,1269 1.513,1270 1.376,1271 0.825,1272 1.429,1273 0.948,1274 0.917,1275 1.181,1276 1.197,1277 0.32,1278 1.182,1279 0.886,1280 0.821,1281 1.181,1282 1.062,1283 0.218,1284 1.107,1285 0.886,1286 0.821,1287 1.152,1288 1.062,1289 0.218,1290 1.107,1291 3.932,1293 5.209,1295 6.693,1297 8.261,1299 9.87,1300 3.423,1307 3.998,1310 5.413,1312 -0.143,1313 2.317,1318 27.744,1319 64.18,1320 131.462,1321 166.535,1322 192.574,1323 195.329,1324 195.329,1325 38.67,1326 6.519,1327 29.54,1328 29.54,1329 18,1330 12.122,1331 3.807,1332 3,1333 36.447,1334 67,1335 80,1336 0.25,1337 177.054,1338 307.76,1339 423.771,1340 4655,1341 2.3,1342 16.071,1343 0.699,1344 0.632,1345 17.071,1346 14.537,1347 11.237,1348 0.449,1349 0.347,1350 7.85,1351 10.352,1352 7.638,1353 6.265,1354 11.815,1355 8.68,1356 9.681,1357 0.293,1358 0.202,1359 10.497,1360 6.663,1361 8.065,1362 0.192,1363 0.112,1364 8.642,1365 4.72,1366 6.368,1367 0.122,1368 0.061,1369 6.701,1370 3.147,1371 5.301,1372 0.08,1373 0.035,1374 5.729,1375 2.342,1376 0.378,1377 77.984,1378 0.243,1379 22.303,1380 0.728,1381 116,1382 317.771,1383 188.935,1384 341.552,1385 448.35,1386 320,1387 133,1388 285.119,1389 169.022,1390 303.464,1391 440.94,1392 286,1393 4.303}
{0 CHEMBL1372650,1 1.783,2 10.25,3 5.115,4 26.163,5 94.871,6 10.138,7 0.654,8 3.67,9 3.732,10 3.547,11 3.4,12 4.959,13 3.36,14 4.115,15 4.199,16 3.909,17 3.747,18 5.359,19 3.688,20 4.308,21 4.437,22 3.985,23 3.806,24 5.609,25 3.719,26 4.241,27 4.378,28 3.866,29 3.707,30 5.582,31 3.614,32 4.19,33 4.342,34 3.752,35 3.643,36 5.437,37 3.536,38 4.105,39 4.257,40 3.752,41 3.574,42 5.466,43 3.481,44 4.012,45 4.14,46 3.668,47 3.46,48 5.537,49 3.406,50 3.944,51 4.089,52 3.412,53 3.377,54 5.381,55 3.333,56 0.056,57 0.402,58 2.993,59 2.613,60 7.42,61 2.786,62 0.135,63 0.669,64 8.882,65 4.906,66 13.578,67 4.809,68 0.326,69 0.826,70 14.451,71 6.411,72 35.13,73 6.278,74 0.301,75 0.844,76 14.231,77 5.942,78 40.248,79 5.385,80 0.29,81 0.788,82 15.399,83 6.542,84 43.066,85 6.219,86 0.244,87 0.708,88 14.975,89 6.044,90 41.917,91 6.154,92 0.318,93 0.62,94 16.296,95 4.893,96 52.441,97 4.437,98 0.229,99 0.579,100 5.941,101 3.6,102 27.307,103 3.969,104 11,105 35,106 0.318,107 0.638,108 0.763,109 0.865,110 0.865,111 0.865,112 3.228,113 0.969,114 -3.69,115 -3.66,116 -3.48,119 51.4,125 1,141 8,142 2,143 1,145 1,146 1,149 1,150 1,155 1,156 1,171 7,174 7,182 8,185 1,186 7,194 7,198 1,199 6,207 6,212 1,213 4,221 6,226 4,234 5,238 2,239 5,247 6,250 1,251 5,259 5,264 6,271 6,274 866,275 16.37,276 16.37,277 16.37,278 16.37,279 16.37,280 14.128,281 8.391,282 9.699,283 16.712,284 12.747,285 12.747,286 12.747,287 12.747,288 12.747,289 9.297,290 5.253,291 4.506,292 13.369,293 3.346,294 1.558,295 0.857,296 0.286,297 0.286,298 0.286,299 3.908,302 1,305 1,306 1,307 526,308 3,311 70.082,312 169.854,319 1.438,320 26.895,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 51.333,332 246,333 4.381,334 4.501,335 6.283,336 3.947,337 2.99,338 4.058,339 3.325,340 9.54,341 2.875,342 4.178,343 4.035,344 6.033,345 3.816,346 2.81,347 3.756,348 2.035,349 8.606,350 2.827,351 4.041,352 3.586,353 5.972,354 3.605,355 2.635,356 3.566,357 1.133,358 8.444,359 2.546,360 3.657,361 2.924,362 5.022,363 3.188,364 2.28,365 3.011,367 6.02,368 2.005,369 3.409,370 2.87,371 4.53,372 2.766,373 1.783,374 2.607,376 4.631,377 1.75,378 3.152,379 2.643,380 4.392,381 2.568,382 1.678,383 2.18,385 4.353,386 1.454,387 2.854,388 2.024,389 4.092,390 2.31,391 1.337,392 1.851,394 3.515,395 1.256,396 2.742,397 1.947,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 2.5,406 1.784,407 3.313,408 1.934,409 0.942,410 1.422,412 2.121,413 0.934,414 2.331,415 1,416 3.119,417 1.618,418 0.618,419 0.983,421 1.372,422 0.618,423 2.118,424 0.927,425 3,426 1.537,427 0.612,428 0.927,430 1.328,431 0.555,432 1.812,433 0.678,434 2.775,435 1.27,436 0.379,437 0.534,439 0.664,440 0.326,441 1.12,442 0.618,443 2.414,444 0.617,445 -0.242,446 -0.309,448 -0.513,449 -0.166,450 1.102,451 0.47,452 2.254,453 0.511,454 -0.434,455 -0.663,457 -0.856,458 -0.392,459 0.693,460 0.028,461 2.059,462 0.223,463 -0.729,464 -0.983,466 -2.052,467 -0.671,468 12.014,469 0.501,470 0.503,471 0.021,472 35.75,473 1.49,474 21,475 0.875,476 14.75,477 0.615,478 15.8,479 0.658,480 23.386,481 0.668,482 24.135,483 1.006,484 6.934,485 0.289,486 4.735,487 0.197,488 0.12,490 0.291,493 0.65,494 0.938,495 0.573,496 0.768,497 0.504,498 0.736,499 0.838,500 1.162,501 0.903,502 1.108,503 0.597,504 0.953,505 1.104,506 1.024,507 1.036,508 0.993,509 1.007,510 0.988,511 1.23,512 1.057,513 1.186,514 1.106,515 1.262,516 1.064,517 0.95,518 1.014,519 1.052,520 1.176,521 1.151,522 1.037,523 0.75,524 1.068,525 1.002,526 1.176,527 0.953,528 0.956,529 1.223,530 0.942,531 1.038,532 0.962,533 1.057,534 0.923,535 0.732,536 1.12,537 0.592,538 0.83,539 1.153,540 1.053,541 4.5,542 0.073,543 3.111,544 0.965,545 1.046,546 0.819,547 0.427,548 0.266,549 0.242,550 0.158,551 6515,552 23705,553 2.064,554 31.4,556 10,557 1,564 1.669,565 1.946,566 3.345,567 -0.74,573 62.413,574 1.783,575 3.571,576 4.272,577 4.844,578 4.844,579 4.844,580 2.721,581 4.002,582 4.557,583 3.48,584 960.476,585 7.865,586 11522.2,591 179.525,592 1.347,593 4.522,594 0.173,595 0.005,596 0.089,597 0.028,598 0.035,599 0.03,600 0.016,601 0.01,602 0.011,603 0.008,604 0.406,605 0.33,606 1,607 0.757,608 114.854,609 -0.026,610 -0.047,611 0.024,612 0.009,613 -0.001,614 0.01,615 -0.057,616 -0.227,617 -0.076,618 -0.17,619 -0.035,620 -0.116,621 -0.081,622 -0.045,623 -0.036,624 0.006,625 -0.066,626 -0.044,627 -0.2,628 0.022,629 -0.163,630 -0.062,631 -0.15,632 -0.132,633 -0.02,634 0.018,635 -0.05,636 -0.037,637 -0.107,638 -0.009,639 0.126,640 -0.06,641 0.065,642 -0.049,643 0.13,644 0.088,645 -0.038,646 0.079,647 -0.077,648 -0.007,649 0.17,650 -0.016,651 0.108,652 -0.147,653 -0.047,654 -0.103,655 -0.023,656 -0.176,657 1.717,658 5.249,659 0.708,660 19.924,661 1.019,662 1.096,663 2.462,664 6.06,665 0.778,666 3.296,667 3.584,668 3.829,669 4.007,670 4.159,671 4.22,672 4.234,673 4.22,674 4.263,675 4.248,676 6.105,677 0.746,678 354.83,679 3.296,680 4.812,681 5.645,682 6.497,683 7.345,684 8.201,685 9.054,686 9.911,687 10.766,688 11.625,689 5.7,698 1,699 1,707 9,708 1,710 1,712 6,714 17,716 1,719 1,732 1,733 35,735 19,736 1,737 26,739 37,740 18,741 15,742 2,743 4,744 1,747 3,748 3,749 1,761 1,762 16,763 1,766 1,771 1,775 1,781 1,782 11,783 4,785 6,786 2,791 2,796 1,797 2,809 1,815 1,816 2,845 3,846 1,848 1,851 1,854 24,862 1,866 1,870 1,874 1,876 1,877 1,878 5.7,881 1,883 1,885 12.333,886 6.543,887 5.417,888 1.963,890 2.899,891 1.427,892 0.986,893 5.124,894 9.694,895 3.651,896 4.208,897 4.795,898 5.315,899 5.738,900 6.001,901 6.303,902 6.477,903 6.757,904 6.94,905 0.857,906 34,907 8.806,909 3.717,910 7.963,911 16.365,913 13.051,915 2.463,916 59.111,920 129.482,921 161.603,922 47.845,923 39.149,924 34.652,926 32.22,927 129.384,928 203.283,929 47.845,931 0.9,932 87.549,933 63.666,934 53.195,935 18.342,936 149.931,937 39.149,938 129.482,939 177.229,940 34.652,941 71.368,943 129.482,944 34.652,947 34.716,948 125.727,949 55.934,950 32.22,951 129.482,952 82.497,953 200.752,956 129.482,957 57.452,958 87.549,959 16.602,960 121.646,961 129.482,962 82.497,963 200.752,965 0.573,966 0.338,967 0.172,968 0.088,969 16,970 7,971 0.135,972 5,974 1,975 3.671,976 186.716,978 17,979 106.039,981 1,985 16.48,986 7.462,987 3.947,989 82.497,990 15.25,991 4.439,993 5.32,995 3.338,998 412.731,999 37.5,1004 12.249,1008 -0.05,1011 35.676,1012 38.355,1013 0.348,1014 0.696,1015 0.833,1016 0.944,1017 0.944,1018 0.944,1019 4.862,1020 1,1021 5.609,1022 3.515,1023 4.263,1024 4.894,1025 3.525,1026 6.372,1027 4.178,1028 6.072,1029 0.942,1030 7.143,1031 2.275,1032 3.761,1033 4.543,1035 7.195,1036 3.632,1037 7.365,1038 0.618,1039 8.775,1040 2.121,1041 5.814,1042 7.062,1043 5.646,1044 10.236,1045 5.674,1046 8.694,1047 0.612,1048 10.465,1049 1.372,1050 6.155,1051 7.567,1053 11.877,1054 5.991,1055 10.051,1056 0.379,1057 12.192,1058 1.328,1059 7.632,1060 9.48,1061 7.955,1062 14.405,1063 7.452,1064 11.429,1065 -0.242,1066 13.943,1067 0.664,1068 8.35,1069 10.386,1071 16.37,1072 8.152,1073 12.822,1074 -0.434,1075 15.71,1076 -0.513,1077 9.593,1078 12.033,1079 10.325,1080 18.714,1081 9.376,1082 2.99,1083 -0.729,1084 17.49,1085 -0.856,1086 10.489,1087 13.147,1089 20.818,1090 10.255,1091 2.81,1092 9.54,1093 19.278,1094 -2.052,1095 11.631,1096 14.664,1097 12.715,1098 23.089,1099 11.377,1100 2.635,1101 8.606,1102 21.073,1103 4.058,1104 12.615,1105 15.891,1107 25.257,1108 12.34,1109 2.28,1110 8.444,1111 22.872,1112 3.756,1113 13.713,1114 17.342,1115 15.114,1116 27.5,1117 13.416,1118 1.783,1119 6.02,1120 24.675,1121 3.566,1122 14.74,1123 18.633,1125 29.698,1126 14.419,1127 1.678,1128 4.631,1129 26.481,1130 3.011,1131 15.821,1132 20.049,1133 17.515,1134 31.932,1135 15.476,1136 1.337,1137 4.353,1138 28.289,1139 2.607,1140 16.87,1141 21.378,1143 34.147,1144 16.499,1145 6327,1146 12188,1147 17.394,1148 27.233,1149 39.736,1150 43.783,1151 39.273,1152 38.318,1153 38.129,1154 52.786,1155 12.986,1156 105.736,1157 36.292,1158 5.255,1159 6.501,1160 5.88,1161 5.07,1162 4.99,1163 7.058,1164 6.65,1165 15.939,1166 4.875,1167 10.819,1168 1.528,1169 1.684,1170 1.511,1171 1.474,1172 1.466,1173 2.03,1174 0.499,1175 4.067,1176 1.396,1177 3.997,1178 4.012,1179 4.081,1180 3.916,1181 7.427,1182 3.91,1183 3.916,1184 3.933,1185 3.978,1186 3.846,1187 6.82,1188 3.848,1189 3.734,1190 3.75,1191 3.801,1192 3.628,1193 5.112,1194 3.629,1195 3.414,1196 3.429,1197 3.564,1198 3.33,1199 4.93,1200 3.293,1201 3.13,1202 3.182,1203 3.312,1204 2.98,1205 4.709,1206 2.999,1207 2.864,1208 2.925,1209 3.105,1210 2.837,1211 4.279,1212 2.772,1213 2.854,1214 2.883,1215 2.851,1216 2.735,1217 3.827,1218 2.715,1219 2.65,1220 2.718,1221 2.687,1222 2.484,1223 3.674,1224 2.483,1225 0.168,1226 0.173,1227 0.242,1228 0.152,1229 0.115,1230 4.381,1231 0.156,1232 4.501,1233 0.128,1234 6.283,1235 0.367,1236 3.947,1237 0.111,1238 2.99,1239 4.058,1240 3.325,1241 9.54,1242 2.875,1243 1.909,1244 1.893,1245 1.987,1246 1.983,1247 1.109,1248 1.993,1249 1.856,1250 1.835,1251 1.908,1252 1.951,1253 1.003,1254 1.946,1255 1.471,1256 1.438,1257 1.637,1258 1.587,1259 0.772,1260 1.604,1261 1.366,1262 1.349,1263 1.496,1264 1.535,1265 0.666,1266 1.542,1267 1.261,1268 1.255,1269 1.352,1270 1.488,1271 0.32,1272 1.45,1273 0.915,1274 0.874,1275 1.181,1276 1.15,1277 0.218,1278 1.118,1279 0.886,1280 0.821,1281 1.048,1282 1.062,1283 0.092,1284 1.107,1285 0.805,1286 0.787,1287 0.925,1288 0.93,1290 0.962,1291 3.97,1293 5.263,1294 2.398,1295 6.746,1296 4.443,1297 8.314,1298 6.293,1299 9.925,1302 5.824,1307 0.185,1311 1.232,1316 9.226,1317 2.096,1318 26.121,1319 62.413,1320 124.996,1321 149.525,1322 169.525,1323 169.525,1324 169.525,1325 43.729,1326 6.795,1327 66.89,1328 92.19,1329 17,1330 12.177,1331 4.322,1332 3.644,1333 39.274,1334 86,1335 92,1336 0.217,1337 170.096,1338 294.44,1339 406.794,1340 7518,1341 2.9,1342 16.941,1343 0.706,1344 0.582,1345 17.795,1346 13.973,1347 11.669,1348 0.449,1349 0.323,1350 7.088,1351 10.609,1352 6.806,1353 5.622,1354 12.412,1355 8.401,1356 10.121,1357 0.289,1358 0.179,1359 11.08,1360 6.258,1361 8.629,1362 0.192,1363 0.1,1364 9.664,1365 4.504,1366 6.679,1367 0.124,1368 0.056,1369 7.628,1370 3.043,1371 4.936,1372 0.078,1373 0.032,1374 5.892,1375 2.042,1376 0.342,1377 79.978,1378 0.24,1379 23.592,1380 0.592,1381 122,1382 411.825,1383 168.752,1384 451.994,1385 595.5,1386 420,1387 141,1388 388.145,1389 180.057,1390 416.74,1391 603.33,1392 391,1393 4.994}
{0 CHEMBL1372738,1 1.605,2 12.677,3 4.056,4 16.453,5 123.861,6 8.878,7 0.647,8 4.084,9 4.196,10 3.809,11 3.672,12 5.191,13 3.644,14 4.6,15 4.764,16 4.188,17 4.05,18 5.684,19 3.999,20 4.824,21 5.026,22 4.215,23 4.165,24 5.84,25 4.079,26 4.81,27 5.01,28 4.185,29 4.146,30 5.869,31 4.059,32 4.826,33 5.031,34 4.281,35 4.153,36 5.917,37 4.057,38 4.827,39 5.04,40 4.276,41 4.11,42 5.921,43 4.008,44 4.749,45 4.957,46 4.08,47 4.055,48 5.797,49 3.952,50 4.721,51 4.925,52 4.151,53 4.03,54 5.784,55 3.914,56 0.019,57 0.767,58 8.476,59 4.733,60 6.742,61 5.934,62 0.229,63 1.239,64 18.772,65 7.957,66 22.689,67 9.991,68 0.302,69 1.446,70 34.68,71 11.02,72 36.076,73 13.628,74 0.307,75 1.455,76 29.686,77 10.422,78 39.041,79 13.043,80 0.304,81 1.461,82 29.192,83 10.812,84 44.665,85 13.981,86 0.429,87 1.429,88 35.955,89 11.114,90 51.094,91 14.207,92 0.236,93 1.321,94 29.328,95 10.345,96 39.959,97 13.028,98 0.29,99 1.272,100 33.61,101 10.36,102 45.144,103 12.682,104 12,105 46,106 0.263,107 0.62,108 0.806,109 0.879,110 0.879,111 0.879,112 3.472,113 0.971,114 -4.68,115 -4.6,116 -4.33,117 1,119 44.4,120 1,121 1,125 3,141 8,142 3,143 2,144 1,145 2,149 1,156 1,158 1,171 8,173 1,174 9,177 1,179 2,182 11,186 9,191 2,194 11,199 6,202 1,204 1,207 12,212 1,213 3,216 1,218 2,221 14,225 2,226 6,229 1,231 4,234 10,239 6,244 2,247 7,250 1,251 5,259 7,263 2,264 6,267 1,271 5,274 1935,275 21.3,276 21.3,277 21.3,278 21.3,279 21.3,280 18.642,281 17.718,282 12.887,283 21.958,284 16.785,285 16.785,286 16.785,287 16.785,288 16.785,289 12.705,290 17.182,291 6.092,292 17.791,293 4.15,294 1.965,295 0.829,296 0.384,297 0.384,298 0.384,299 4.17,305 1,306 1,307 846,308 3.606,311 92.18,312 263.473,316 145.477,319 2.033,320 24.413,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 65.75,332 393,333 4.619,334 3.6,335 6.714,336 4.174,337 3.187,338 4.549,339 1.058,340 10.932,341 3.145,342 4.153,343 3.06,344 6.102,345 3.756,346 2.772,347 3.778,348 0.86,349 8.91,350 2.728,351 3.921,352 2.923,353 5.686,354 3.472,355 2.546,356 3.479,358 7.5,359 2.408,360 3.86,361 2.746,362 5.352,363 3.439,364 2.478,365 3.3,367 6.997,368 2.322,369 3.737,370 2.647,371 5.323,372 3.332,373 2.396,374 3.149,376 6.9,377 2.235,378 3.466,379 2.474,380 4.961,381 2.952,382 2.075,383 2.824,385 5.814,386 1.707,387 3.052,388 1.844,389 4.549,390 2.667,391 1.7,392 2.22,394 4.441,395 1.635,396 2.913,397 1.726,398 4.387,399 2.443,400 1.486,401 2.085,403 4.183,404 1.41,405 2.742,406 1.675,407 3.752,408 2.402,409 1.422,410 1.8,412 3.152,413 1.377,414 2.5,415 1.327,416 3.563,417 2.048,418 1.107,419 1.5,421 2.484,422 1.037,423 2.405,424 1.309,425 3.414,426 2,427 1.042,428 1.381,430 2.275,431 1,432 2.245,433 1,434 3.232,435 1.973,436 1,437 1.154,439 1.975,440 0.959,441 2.155,442 0.935,443 3.165,444 1.757,445 0.778,446 1.078,448 1.801,449 0.751,450 2.118,451 0.634,452 3,453 1.554,454 0.618,455 0.927,457 1.372,458 0.577,459 1.466,460 0.618,461 2.829,462 1.21,463 0.249,464 0.291,466 0.554,467 0.233,468 15.6,469 0.503,470 0.623,471 0.02,472 42,473 1.355,474 22,475 0.71,476 20,477 0.645,478 26.4,479 0.852,480 31.8,481 0.589,482 30.537,483 0.985,484 8.08,485 0.261,486 7.055,487 0.228,488 0.139,490 0.282,493 0.772,494 1.304,495 0.506,496 0.911,497 0.608,498 0.887,499 1.001,500 1.015,501 0.604,502 0.807,503 0.648,504 0.86,505 1.212,506 0.955,507 0.922,508 0.892,509 0.973,510 0.895,511 1.182,512 0.97,513 0.763,514 0.892,515 1.432,516 0.959,517 0.881,518 1.047,519 0.671,520 0.938,521 1.344,522 0.98,523 0.837,524 0.981,525 0.845,526 1.013,527 1.281,528 0.998,529 1.107,530 1.028,531 0.781,532 0.966,533 1.371,534 1.007,535 1.147,536 1.046,537 1.182,538 1.074,539 1.436,540 1.062,541 5.5,542 0.207,543 3.111,544 1.41,545 1.765,546 1.191,547 0.66,548 0.423,549 0.381,550 0.201,551 13483,552 37679,553 2.104,554 42.6,556 14,557 1,558 2,559 1,561 3,562 2,564 1.739,565 2,566 3.588,567 -0.361,569 1,573 86.683,574 1.605,575 3.79,576 4.926,577 5.371,578 5.371,579 5.371,580 3.063,581 4.543,582 4.915,583 3.785,584 1759.81,585 8.609,586 25541.6,591 310.764,592 1.277,593 4.899,594 0.162,595 0.007,596 0.068,597 0.031,598 0.04,599 0.027,600 0.016,601 0.011,602 0.011,603 0.006,604 0.378,605 0.17,606 0.88,607 0.805,608 162.058,609 -0.028,610 -0.186,611 0.008,612 -0.055,613 -0.034,614 -0.009,615 -0.022,616 0.076,617 0.017,618 0.063,619 0.059,620 0.034,621 -0.15,622 0.041,623 -0.033,624 0.065,625 -0.041,626 0.065,627 -0.143,628 0.055,629 -0.029,630 0.018,631 -0.154,632 -0.023,633 0.058,634 -0.049,635 0.056,636 -0.017,638 -0.021,639 0.17,640 -0.004,641 0.05,642 -0.05,643 0.077,644 -0.022,645 -0.102,646 -0.055,647 -0.012,648 -0.028,649 -0.066,650 -0.039,651 -0.066,652 -0.072,653 -0.044,654 -0.055,655 -0.073,656 -0.081,657 1.775,658 6.061,659 0.677,660 37.546,661 1.002,662 1.119,663 3.453,664 11.924,665 0.702,666 3.555,667 3.85,668 4.111,669 4.369,670 4.605,671 4.71,672 4.868,673 4.99,674 5.1,675 5.159,676 7.377,677 0.663,678 479.41,679 3.555,680 5.081,681 5.922,682 6.788,683 7.65,684 8.526,685 9.4,686 10.281,687 11.162,688 12.049,689 7.4,696 1,697 1,699 2,706 2,707 11,708 2,712 5,713 1,714 22,720 1,730 1,732 1,733 54,735 23,736 2,737 34,738 1,739 57,740 24,741 18,742 5,743 7,744 1,747 4,748 5,753 1,760 1,762 19,763 5,766 1,771 1,775 1,782 23,783 5,784 1,785 7,786 1,788 1,791 4,796 0.75,797 2,809 1,815 1,816 3,820 1,845 3,849 1,850 1,854 31,862 4,864 1,865 1,877 1,878 3.7,881 1,883 1,885 15.5,886 9.993,887 6.944,888 3.384,890 3.828,891 1.495,892 1,893 7.004,894 11.563,895 3.85,896 4.457,897 5.07,898 5.685,899 6.253,900 6.621,901 7.099,902 7.545,903 7.976,904 8.251,905 0.889,906 46,907 11.446,909 4.783,910 7.664,911 21.958,913 17.693,915 2.164,916 67.083,920 258.964,921 149.535,922 99.435,924 36.145,927 195.489,928 295.109,929 53.481,930 8.825,931 29.349,932 84.857,933 95.581,934 44.09,935 11.771,936 223.651,937 45.954,938 258.964,939 203.016,940 36.145,942 45.954,943 200.109,944 95,947 62.64,948 106.805,949 33.571,950 45.954,951 258.964,952 89.626,953 195.489,956 258.964,957 38.187,958 113.248,959 63.965,960 69.716,961 258.964,962 89.626,963 195.489,965 0.569,966 0.329,967 0.18,968 0.098,969 21,970 9,971 0.14,972 8,973 1,974 1.095,975 4.312,976 274.581,977 0.095,978 21,979 147.58,985 21.54,986 10.079,987 5.327,988 1.592,989 87.727,990 20.858,991 8.82,995 4.012,996 1.995,997 18.011,998 544.079,999 46,1004 13.061,1008 -0.108,1011 54.127,1012 60.406,1013 0.279,1014 0.659,1015 0.856,1016 0.933,1017 0.933,1018 0.933,1019 5.059,1020 1.486,1021 5.883,1022 4.441,1023 4.533,1024 5.145,1025 1.552,1026 6.663,1027 4.435,1028 6.26,1029 1.422,1030 7.418,1031 4.183,1032 4.007,1033 4.902,1035 7.496,1036 3.856,1037 7.559,1038 1.107,1039 9.053,1040 3.152,1041 6.089,1042 7.374,1043 1.527,1044 10.604,1045 5.93,1046 8.898,1047 1.042,1048 10.75,1049 2.484,1050 6.415,1051 8.001,1053 12.302,1054 6.234,1055 10.27,1056 1,1057 12.488,1058 2.275,1059 7.922,1060 9.903,1061 1.53,1062 14.921,1063 7.731,1064 11.666,1065 0.778,1066 14.254,1067 1.975,1068 8.653,1069 10.954,1071 16.995,1072 8.458,1073 13.081,1074 0.618,1075 16.042,1076 1.801,1077 9.925,1078 12.618,1079 1.557,1080 19.452,1081 9.721,1082 3.187,1083 0.249,1084 17.848,1085 1.372,1086 10.859,1087 13.891,1089 21.697,1090 10.655,1091 2.772,1092 10.932,1093 19.666,1094 0.554,1095 12.037,1096 15.455,1097 1.603,1098 24.1,1099 11.826,1100 2.546,1101 8.91,1102 21.496,1103 4.549,1104 13.073,1105 16.843,1107 26.422,1108 12.862,1109 2.478,1110 7.5,1111 23.336,1112 3.778,1113 14.218,1114 18.367,1115 1.663,1116 28.809,1117 14.001,1118 2.396,1119 6.997,1120 25.184,1121 3.479,1122 15.307,1123 19.815,1125 31.166,1126 15.086,1127 2.075,1128 6.9,1129 27.039,1130 3.3,1131 16.443,1132 21.326,1133 1.734,1134 33.551,1135 16.216,1136 1.7,1137 5.814,1138 28.9,1139 3.149,1140 17.56,1141 22.805,1143 35.924,1144 17.327,1145 12849,1146 21644,1147 23.057,1148 37.898,1149 50.181,1150 51.517,1151 50.881,1152 49.945,1153 49.75,1154 67.077,1155 3.837,1156 138.669,1157 47.078,1158 5.541,1159 5.6,1160 6.484,1161 5.223,1162 5.187,1163 7.549,1164 2.117,1165 18.085,1166 5.145,1167 12.903,1168 1.476,1169 1.515,1170 1.497,1171 1.469,1172 1.463,1173 1.973,1174 0.113,1175 4.079,1176 1.385,1177 4.11,1178 4.132,1179 6.88,1180 4.052,1181 7.429,1182 4.053,1183 3.929,1184 3.997,1185 4.054,1186 3.814,1187 4.995,1188 3.809,1189 3.872,1190 3.892,1191 3.862,1192 3.721,1193 4.948,1194 3.747,1195 3.611,1196 3.671,1197 3.802,1198 3.461,1199 4.809,1200 3.459,1201 3.493,1202 3.552,1203 3.495,1204 3.339,1205 4.433,1206 3.332,1207 3.399,1208 3.448,1209 3.327,1210 3.247,1211 4.233,1212 3.232,1213 3.189,1214 3.238,1215 3.223,1216 3.007,1217 4.163,1218 3.021,1219 2.926,1220 2.999,1221 3.07,1222 2.813,1223 3.886,1224 2.775,1225 0.136,1226 0.106,1227 0.197,1228 0.123,1229 0.094,1230 4.619,1231 0.134,1232 3.6,1233 0.031,1234 6.714,1235 0.322,1236 4.174,1237 0.093,1238 3.187,1239 4.549,1240 1.058,1241 10.932,1242 3.145,1243 2.061,1244 2.044,1245 2.107,1246 2.136,1247 1.265,1248 2.132,1249 1.862,1250 1.843,1251 1.961,1252 1.954,1253 1.225,1254 1.958,1255 1.712,1256 1.643,1257 1.927,1258 1.925,1259 1.07,1260 1.93,1261 1.494,1262 1.459,1263 1.785,1264 1.698,1265 0.926,1266 1.729,1267 1.445,1268 1.377,1269 1.609,1270 1.68,1271 0.734,1272 1.662,1273 1.347,1274 1.286,1275 1.522,1276 1.527,1277 0.641,1278 1.525,1279 1.268,1280 1.193,1281 1.446,1282 1.485,1283 0.429,1284 1.493,1285 1.061,1286 1.021,1287 1.217,1288 1.283,1289 0.267,1290 1.267,1291 4.234,1293 5.533,1294 2.398,1295 7.026,1296 4.443,1297 8.614,1298 6.26,1299 10.26,1300 3.506,1301 1.956,1307 2.821,1309 3.042,1310 5.528,1318 35.808,1319 86.683,1320 204.656,1321 266.009,1322 290.009,1323 290.009,1324 290.009,1325 50.134,1326 7.735,1327 69.04,1328 69.04,1329 23,1330 12.582,1331 4.585,1332 3.7,1333 49.318,1334 129,1335 161,1336 0.176,1337 226.295,1338 382.54,1339 543.92,1340 25200,1341 1.9,1342 21.631,1343 0.698,1344 0.606,1345 22.631,1346 18.801,1347 15.135,1348 0.445,1349 0.324,1350 10.134,1351 14.035,1352 9.865,1353 8.169,1354 15.713,1355 11.006,1356 13.219,1357 0.287,1358 0.174,1359 14.036,1360 8,1361 11.023,1362 0.184,1363 0.09,1364 11.548,1365 5.408,1366 9.122,1367 0.117,1368 0.048,1369 9.561,1370 3.761,1371 7.317,1372 0.074,1373 0.026,1374 7.899,1375 2.616,1376 0.278,1377 102.644,1378 0.208,1379 29.404,1380 0.481,1381 160,1382 463.394,1383 238.927,1384 486.163,1385 658.91,1386 456,1387 186,1388 460.261,1389 227.268,1390 478.77,1391 698.15,1392 452,1393 4.224}
{0 CHEMBL1372920,1 1.619,2 8.261,3 3.744,4 14.021,5 85.943,6 9.81,7 0.654,8 3.649,9 3.713,10 3.444,11 3.335,12 4.931,13 3.335,14 4.118,15 4.195,16 3.884,17 3.752,18 5.427,19 3.742,20 4.417,21 4.527,22 4.046,23 3.905,24 5.767,25 3.9,26 4.464,27 4.576,28 3.991,29 3.832,30 5.992,31 3.843,32 4.393,33 4.52,34 3.835,35 3.695,36 5.864,37 3.702,38 4.239,39 4.374,40 3.599,41 3.523,42 5.808,43 3.477,44 3.976,45 4.147,46 3.449,47 3.332,48 5.33,49 3.236,50 3.675,51 3.881,52 3.053,53 3.045,54 4.754,55 2.905,56 0.095,57 0.376,58 3.089,59 2.476,60 13.515,61 2.461,62 0.194,63 0.622,64 5.232,65 4.042,66 15.157,67 4.285,68 0.299,69 0.847,70 12.836,71 6.165,72 41.74,73 6.359,74 0.487,75 0.902,76 13.944,77 6.417,78 78.374,79 5.974,80 0.437,81 0.837,82 12.069,83 6.181,84 65.138,85 5.806,86 0.593,87 0.703,88 11.565,89 5.62,90 105.424,91 5.377,92 0.377,93 0.539,94 11.856,95 4.78,96 57.609,97 5.313,98 0.132,99 0.406,100 8.442,101 3.778,102 16.434,103 4.922,104 17,105 39,106 0.292,107 0.555,108 0.689,109 0.823,110 0.845,111 0.856,112 3.191,113 0.848,114 -4.9,115 -4.8,116 -4.51,119 54.5,141 9,142 4,143 3,156 2,171 11,173 2,174 6,179 2,182 15,186 9,191 3,194 13,198 1,199 13,204 3,207 9,213 10,218 1,221 12,226 2,229 3,234 12,239 2,247 10,256 2,259 5,269 2,271 3,274 575,275 15.483,276 15.483,277 15.483,278 15.483,279 15.483,280 13.273,281 13.514,282 8.757,283 15.71,284 12.773,285 12.773,286 12.773,287 12.773,288 12.773,289 9.354,290 13.728,291 4.1,292 13.191,293 3.425,294 1.971,295 1.228,296 0.485,297 0.364,298 0.303,299 3.886,302 1,304 1,305 1,306 1,307 420,308 2.236,312 181.944,316 215.345,318 89.201,319 1.251,320 34.673,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 49.833,332 190,333 4.784,334 3.958,335 7.178,336 4.405,337 3.416,338 4.7,339 1.349,340 12.559,341 3.378,342 4.259,343 3.336,344 6.589,345 3.888,346 2.921,347 3.777,348 0.8,349 10.355,350 2.816,351 3.904,352 3.13,353 5.948,354 3.46,355 2.491,356 3.44,358 8.034,359 2.464,360 3.798,361 2.93,362 5.791,363 3.418,364 2.414,365 3.196,367 7.66,368 2.364,369 3.545,370 2.515,371 5.188,372 3.109,373 2.19,374 2.879,376 6.242,377 1.968,378 3.157,379 2.284,380 4.848,381 2.688,382 1.721,383 2.373,385 5.071,386 1.62,387 2.982,388 1.832,389 4.384,390 2.49,391 1.492,392 2.145,394 3.954,395 1.462,396 2.776,397 1.427,398 4.001,399 2.28,400 1.28,401 1.902,403 3.064,404 1.276,405 2.5,406 1.215,407 3.675,408 2,409 1,410 1.5,412 2.275,413 1,414 2.363,415 1.189,416 3.414,417 1.827,418 0.803,419 1.185,421 2.052,422 0.811,423 1.643,424 1,425 3.3,426 1.193,427 0.214,428 0.277,430 0.538,431 0.192,432 1.382,433 0.393,434 2.734,435 0.928,436 -0.053,437 -0.072,439 -0.124,440 -0.051,441 0.942,442 0.327,443 2.513,444 0.469,445 -0.414,446 -0.518,448 -1.01,449 -0.303,450 0.933,451 -0.37,452 2.363,453 0.416,454 -0.584,455 -0.877,457 -1.622,458 -0.583,459 0.771,460 -0.472,461 2.124,462 0.316,463 -0.701,464 -1.013,466 -1.716,467 -0.698,468 11.114,469 0.483,470 0.683,471 0.03,472 34.75,473 1.511,474 20,475 0.87,476 14.75,477 0.641,478 14.641,479 0.637,480 22.486,481 0.681,482 25.911,483 1.127,484 6.918,485 0.301,486 4.157,487 0.181,488 0.154,490 0.441,493 0.668,494 0.956,495 0.517,496 0.715,497 0.64,498 0.679,499 0.507,500 1.037,501 0.582,502 0.846,503 0.566,504 0.832,505 0.942,506 1.088,507 0.871,508 0.991,509 0.866,510 0.894,511 1.227,512 1.081,513 0.923,514 1.027,515 1.197,516 0.968,517 1.327,518 1.091,519 0.74,520 1.041,521 1.51,522 1.022,523 1.2,524 0.887,525 0.966,526 0.918,527 1.447,528 1.106,529 0.706,530 0.855,531 1.041,532 1.021,533 0.817,534 1.115,535 0.467,536 1.082,537 0.988,538 1.1,539 0.316,540 1.192,541 4,542 0.054,543 3.333,544 2.438,545 2.347,546 1.076,547 0.523,548 0.26,549 0.188,550 0.07,551 4960,552 17324,553 2.115,554 30.3,556 9,559 1,564 1.664,565 1.944,566 2.988,567 -0.326,569 1,571 1,573 53.432,574 1.619,575 3.073,576 3.816,577 4.56,578 4.681,579 4.741,580 2.509,581 3.828,582 4.495,583 3.082,584 779.639,585 7.778,586 8228.66,587 1,588 1,589 1,590 1,591 166.465,592 1.491,593 4.44,594 0.154,595 0.018,596 0.085,597 0.054,598 0.056,599 0.031,600 0.021,601 0.014,602 0.016,603 0.01,604 0.459,605 0.5,606 1,607 0.636,608 103.554,609 -0.071,610 -0.012,611 -0.007,612 0.061,613 -0.096,614 0.053,615 0.109,616 -0.065,617 0.007,618 -0.051,619 0.001,620 -0.069,621 -0.099,622 -0.105,623 -0.051,624 -0.098,625 -0.043,626 -0.017,627 -0.115,628 -0.06,629 -0.138,630 -0.117,631 -0.003,632 -0.094,633 -0.174,634 -0.091,635 -0.047,636 -0.107,637 -0.17,638 -0.097,639 0.04,640 0.083,641 -0.111,642 0.081,643 -0.022,644 -0.118,645 0.172,646 0.08,647 0.152,648 0.047,649 0.063,650 0.017,651 0.13,652 -0.176,653 0.247,654 0.005,655 0.13,656 0.055,657 2.082,658 5.801,659 0.826,660 14.435,661 1.025,662 1.095,663 3.666,664 13.438,665 0.759,666 3.296,667 3.689,668 4.06,669 4.407,670 4.736,671 4.868,672 5.043,673 5.187,674 5.293,675 5.283,676 4.735,677 0.746,678 323.74,679 3.296,680 4.875,681 5.778,682 6.703,683 7.626,684 8.559,685 9.489,686 10.425,687 11.36,688 12.298,689 3,696 1,706 2,707 9,712 5,714 17,729 1,732 1,733 33,735 19,736 3,737 26,739 36,740 18,741 16,742 7,743 9,744 2,747 4,748 8,749 1,762 18,766 2,771 2,775 2,779 1,782 10,783 4,784 1,785 5,786 1,791 1,794 1,796 0.5,797 3,816 4,820 3,822 1,845 2,851 1,854 23,861 1,868 1,877 1,878 9.1,880 1,881 2,885 11.833,886 6.126,887 4.917,888 1.916,890 3.477,891 1.459,892 1.023,893 3.064,894 11.062,895 3.624,896 4.304,897 4.992,898 5.661,899 6.291,900 6.638,901 7.078,902 7.5,903 7.919,904 8.178,905 0.833,906 45,907 8.55,909 3.918,910 8.07,911 15.7,913 13.409,915 2.57,916 59.111,920 105.94,921 112.47,922 3.124,923 39.149,924 92.973,927 112.47,928 238.062,929 3.124,931 3.124,932 85.286,933 102.382,934 17.774,936 105.94,937 39.149,938 105.94,939 115.594,940 92.973,941 39.149,943 105.94,944 92.973,947 3.124,948 112.47,949 39.149,951 105.94,952 96.098,953 151.619,956 105.94,957 27.184,958 88.411,960 132.122,961 105.94,962 96.098,963 151.619,965 0.6,966 0.373,967 0.212,968 0.124,969 22,970 10,971 0.028,972 1,973 3,974 1.263,975 3.336,976 205.849,977 0.316,978 18,979 90.042,985 14.097,986 4.999,987 2.006,988 0.991,989 96.098,990 14.56,995 1.815,997 42.683,998 353.656,999 36.5,1004 25.602,1008 -0.831,1011 33.825,1012 36.147,1013 0.321,1014 0.609,1015 0.757,1016 0.904,1017 0.928,1018 0.94,1019 4.885,1020 1.28,1021 5.802,1022 3.954,1023 4.369,1024 4.99,1025 1.758,1026 6.715,1027 4.317,1028 6.136,1029 1,1030 7.427,1031 3.064,1032 4.111,1033 4.934,1034 0.325,1035 7.818,1036 4.006,1037 7.481,1038 0.803,1039 9.155,1040 2.275,1041 6.057,1042 7.295,1043 2.029,1044 11.003,1045 5.966,1046 8.863,1047 0.214,1048 10.942,1049 2.052,1050 6.608,1051 8.06,1052 0.931,1053 12.932,1054 6.485,1055 10.278,1056 -0.053,1057 12.768,1058 0.538,1059 8.061,1060 9.916,1061 2.398,1062 15.665,1063 7.942,1064 11.716,1065 -0.414,1066 14.62,1067 -0.124,1068 8.978,1069 11.079,1070 1.621,1071 17.935,1072 8.841,1073 13.175,1074 -0.584,1075 16.492,1076 -1.01,1077 10.257,1078 12.736,1079 2.838,1080 20.522,1081 10.118,1082 3.416,1083 -0.701,1084 18.379,1085 -1.622,1086 11.339,1087 14.097,1088 2.316,1089 22.935,1090 11.189,1091 2.921,1092 12.559,1093 20.278,1094 -1.716,1095 12.563,1096 15.677,1097 3.326,1098 25.474,1099 12.406,1100 2.491,1101 10.355,1102 22.187,1103 4.7,1104 13.718,1105 17.134,1106 2.996,1107 27.948,1108 13.553,1109 2.414,1110 8.034,1111 24.104,1112 3.777,1113 14.928,1114 18.686,1115 3.846,1116 30.473,1117 14.756,1118 2.19,1119 7.66,1120 26.028,1121 3.44,1122 16.116,1123 20.189,1124 3.659,1125 32.974,1126 15.936,1127 1.721,1128 6.242,1129 27.958,1130 3.196,1131 17.327,1132 21.733,1133 4.387,1134 35.496,1135 17.139,1136 1.492,1137 5.071,1138 29.892,1139 2.879,1140 18.532,1141 23.258,1142 4.307,1143 38.01,1144 18.335,1145 4753,1146 8969,1147 17.224,1148 25.034,1149 40.534,1150 42.651,1151 42.63,1152 40.108,1153 39.885,1154 54.748,1155 4.298,1156 123.607,1157 38.704,1158 5.686,1159 5.958,1160 6.688,1161 5.444,1162 5.416,1163 7.7,1164 2.549,1165 20.559,1166 5.378,1167 11.444,1168 1.559,1169 1.64,1170 1.64,1171 1.543,1172 1.534,1173 2.106,1174 0.165,1175 4.754,1176 1.489,1177 4.145,1178 4.156,1179 4.127,1180 4.089,1181 7.444,1182 4.094,1183 3.886,1184 3.909,1185 3.973,1186 3.831,1187 7.411,1188 3.825,1189 3.495,1190 3.522,1191 3.534,1192 3.409,1193 6.47,1194 3.406,1195 3.463,1196 3.475,1197 3.419,1198 3.283,1199 4.941,1200 3.317,1201 2.943,1202 2.934,1203 3.203,1204 2.806,1205 4.767,1206 2.799,1207 2.889,1208 2.925,1209 2.901,1210 2.735,1211 4.322,1212 2.728,1213 2.854,1214 2.902,1215 2.691,1216 2.68,1217 4.24,1218 2.715,1219 2.702,1220 2.745,1221 2.687,1222 2.584,1223 3.708,1224 2.572,1225 0.184,1226 0.152,1227 0.276,1228 0.169,1229 0.131,1230 4.784,1231 0.181,1232 3.958,1233 0.052,1234 7.178,1235 0.483,1236 4.405,1237 0.13,1238 3.416,1239 4.7,1240 1.349,1241 12.559,1242 3.378,1243 2.102,1244 2.092,1245 2.152,1246 2.171,1247 1.328,1248 2.163,1249 1.871,1250 1.849,1251 1.958,1252 1.95,1253 1.062,1254 1.96,1255 1.488,1256 1.459,1257 1.643,1258 1.604,1259 0.696,1260 1.616,1261 1.349,1262 1.337,1263 1.405,1264 1.558,1265 0.472,1266 1.513,1267 0.886,1268 0.821,1269 1.181,1270 1.08,1271 0.218,1272 1.107,1273 0.844,1274 0.819,1275 1.004,1276 1.062,1277 0.116,1278 1.025,1279 0.768,1280 0.774,1281 0.908,1282 1.004,1283 0.054,1284 0.985,1285 0.698,1286 0.65,1287 0.903,1288 0.854,1290 0.882,1291 3.97,1293 5.342,1295 6.938,1297 8.642,1299 10.406,1302 5.871,1306 9.975,1313 1.129,1318 24.627,1319 53.432,1320 101.406,1321 125.936,1322 150.465,1323 154.465,1324 156.465,1325 46.556,1326 7.584,1327 59.3,1328 59.3,1329 24,1330 12.795,1331 4.322,1332 3.524,1333 31.608,1334 67,1335 75,1336 0.25,1337 151.701,1338 264,1339 361.91,1340 18266,1341 3,1342 16.137,1343 0.702,1344 0.545,1345 16.637,1346 12.541,1347 11.075,1348 0.426,1349 0.283,1350 6.932,1351 10.484,1352 6.776,1353 5.55,1354 11.364,1355 7.346,1356 10.37,1357 0.266,1358 0.147,1359 10.778,1360 5.719,1361 9.414,1362 0.165,1363 0.074,1364 9.703,1365 4.221,1366 8.258,1367 0.102,1368 0.037,1369 8.425,1370 3.032,1371 7.211,1372 0.064,1373 0.02,1374 7.425,1375 2.239,1376 0.37,1377 71.86,1378 0.241,1379 21.674,1380 0.76,1381 130,1382 409.469,1383 155.133,1384 427.885,1385 573.47,1386 396,1387 161,1388 400.391,1389 180.9,1390 415.716,1391 620.22,1392 393,1393 4.719}
{0 CHEMBL1373572,1 1.756,2 9.76,3 3.993,4 15.945,5 89.976,6 8.009,7 0.444,8 3.902,9 4.024,10 3.517,11 3.345,12 5.04,13 3.366,14 4.492,15 4.686,16 3.958,17 3.708,18 6.074,19 3.728,20 4.636,21 4.839,22 3.939,23 3.879,24 5.853,25 3.846,26 4.752,27 4.997,28 3.833,29 3.858,30 5.837,31 3.799,32 4.69,33 4.957,34 3.898,35 3.769,36 5.911,37 3.731,38 4.5,39 4.681,40 3.924,41 3.713,42 5.831,43 3.729,44 4.697,45 4.91,46 3.866,47 3.653,48 6.16,49 3.7,50 4.604,51 4.852,52 3.549,53 3.516,54 5.944,55 3.477,56 0.144,57 0.859,58 8.043,59 3.865,60 19.362,61 4.785,62 1.015,63 1.621,64 19.427,65 5.966,66 137.817,67 7.655,68 0.619,69 1.467,70 21.13,71 7.402,72 49.335,73 10.221,74 0.675,75 1.503,76 26.487,77 8.332,78 74.21,79 11.673,80 0.889,81 1.47,82 26.244,83 7.24,84 68.943,85 10.878,86 0.42,87 1.616,88 17.885,89 7.267,90 42.156,91 8.569,92 1.095,93 1.847,94 26.708,95 7.858,96 146.184,97 7.432,98 1.185,99 1.346,100 26.167,101 7.363,102 133.277,103 8.208,104 30,105 39,106 0.308,107 0.594,108 0.727,109 0.789,110 0.789,111 0.789,112 3.268,113 0.879,114 -4.31,115 -4.25,116 -4.01,119 38.6,124 2,125 4,132 1,141 5,142 1,143 1,145 2,148 1,171 4,173 3,174 5,182 5,185 1,186 4,194 4,199 6,207 2,212 2,213 4,225 1,226 5,239 2,250 2,251 2,264 2,274 888,275 16.375,276 16.375,277 16.375,278 16.375,279 16.375,280 15.081,281 20.875,282 9.401,283 17.142,284 13.26,285 13.26,286 13.26,287 13.26,288 13.26,289 11.166,290 29.258,291 4.419,292 14.497,293 3.703,294 2.074,295 1.315,296 0.961,297 0.961,298 0.961,299 3.944,304 1,305 1,306 1,307 513,308 3.24,312 246.286,319 1.309,320 39.331,322 1,323 1,324 1,325 1,326 1,327 0.5,328 1,329 1,330 0.93,331 57.5,332 244,333 4.522,334 4.461,335 7.127,336 4.206,337 3.343,338 4.093,339 3.825,340 11.758,341 2.958,342 4.183,343 3.163,344 6.259,345 3.844,346 2.922,347 3.647,348 0.86,349 9.471,350 2.675,351 3.963,352 2.913,353 6.025,354 3.681,355 2.74,356 3.243,357 0.8,358 8.667,359 2.53,360 3.69,361 2.718,362 5.3,363 3.339,364 2.408,365 2.995,366 0.8,367 6.786,368 2.234,369 3.364,370 2.564,371 5.053,372 3.173,373 2.257,374 2.426,376 6.12,377 2.06,378 3.018,379 2.033,380 4.734,381 2.649,382 1.738,383 2.14,385 5.132,386 1.563,387 2.679,388 1.494,389 4.267,390 2.181,391 1.268,392 1.746,394 3.719,395 1.152,396 2.5,397 1.379,398 4.144,399 2.147,400 1.224,401 1.5,403 3.493,404 1.113,405 2.491,406 1.146,407 3.414,408 2,409 1,410 1.49,412 2.275,413 1,414 2,415 1,416 3.414,417 1.967,418 1,419 1,421 2.275,422 0.965,423 1.656,424 0.972,425 2.856,426 1.36,427 0.491,428 0.554,430 0.759,431 0.422,432 0.986,433 0.51,434 2.827,435 0.8,436 -0.15,437 -0.158,439 -0.34,440 -0.142,441 0.909,442 0.51,443 2.645,444 0.533,445 -0.409,446 -0.519,448 -0.861,449 -0.382,450 0.661,451 0.025,452 2.405,453 0.242,454 -0.686,455 -0.878,457 -2.081,458 -0.635,459 0.556,460 -0.176,461 2,462 0.117,463 -0.814,464 -1,466 -2.233,467 -0.7,468 11.29,469 0.452,470 0.808,471 0.032,472 30.25,473 1.21,474 13,475 0.52,476 17.25,477 0.69,478 20.321,479 0.813,480 28.91,481 0.657,482 24.783,483 0.991,484 6.29,485 0.252,486 5.574,487 0.223,488 0.164,489 0.044,490 0.292,491 3,493 0.628,494 1.24,495 0.664,496 1.305,497 0.576,498 1.078,499 0.639,500 0.668,501 0.737,502 0.742,503 0.349,504 0.754,505 0.574,506 0.811,507 0.855,508 1.059,509 0.411,510 1.067,511 0.755,512 0.984,513 0.913,514 1.066,515 0.702,516 1.051,517 0.511,518 0.598,519 0.653,520 0.702,521 0.584,522 0.721,523 0.931,524 1.501,525 0.801,526 1.384,527 0.968,528 1.138,529 2.165,530 1.72,531 1.532,532 1.146,533 2.388,534 1.091,535 1.704,536 1.17,537 1.464,538 0.978,539 2.075,540 1.094,541 7,542 0.033,543 3.333,544 1.188,545 1.436,546 1.639,547 0.728,548 0.375,549 0.455,550 0.178,551 6369,552 20877,553 2.005,554 43.2,556 19,564 1.686,565 1.84,566 3.207,567 -0.672,569 1,573 77.263,574 1.756,575 3.385,576 4.144,577 4.499,578 4.499,579 4.499,580 2.643,581 4.054,582 4.611,583 3.351,584 1005.35,585 8.01,586 11966.5,588 1,590 1,591 240.215,592 1.673,593 4.546,594 0.259,595 0.003,596 0.085,597 0.03,598 0.042,599 0.046,600 0.02,601 0.012,602 0.021,603 0.01,604 0.529,605 0.5,606 1,607 0.942,608 119.022,609 -0.038,610 -0.248,611 0.052,612 -0.187,613 -0.078,614 -0.071,615 0.283,616 0.327,617 0.164,618 0.222,619 0.467,620 0.17,621 0.058,622 0.03,623 -0.022,624 -0.067,625 0.111,626 -0.08,627 -0.06,628 -0.172,630 -0.101,631 -0.047,632 -0.044,633 0.22,634 0.212,635 0.302,636 0.208,637 0.112,638 0.26,639 -0.019,640 -0.399,641 0.084,642 -0.31,643 0.016,644 -0.138,645 -0.463,646 -0.183,647 -0.415,648 -0.124,649 -0.406,650 -0.204,651 -0.188,652 0.169,653 -0.341,654 0.022,655 -0.35,656 -0.16,657 5.772,658 5.275,659 0.72,660 21.421,661 1.028,662 1.158,663 3.083,664 9.508,665 0.64,666 3.332,667 3.689,668 3.892,669 4.094,670 4.419,671 4.522,672 4.635,673 4.691,674 4.828,675 4.779,676 5.658,677 0.629,678 352.4,679 3.332,680 4.89,681 5.727,682 6.611,683 7.473,684 8.359,685 9.231,686 10.119,687 10.998,688 11.887,689 9.1,692 1,695 1,699 2,707 5,708 2,712 5,714 12,727 1,730 1,733 44,735 12,736 1,737 27,739 46,740 17,741 10,742 2,743 4,747 3,748 3,753 1,759 1,762 10,763 7,779 1,780 3,782 19,783 8,785 8,791 4,796 1,797 1,810 1,816 3,841 1,845 3,850 2,852 3,854 25,862 4,865 1,868 2,869 1,877 3,878 2.3,883 1,885 13.583,886 8.562,887 5.389,888 2.513,890 2.224,891 1.317,892 0.966,893 5.049,894 9.247,895 3.526,896 4.094,897 4.615,898 5.149,899 5.749,900 6.032,901 6.44,902 6.717,903 7.067,904 7.293,905 0.857,906 39,907 9.742,909 4.572,910 8.183,911 17.147,913 13.799,915 2.683,916 67.083,919 1,920 223.651,921 98.685,922 39.82,924 11,925 44.88,927 98.685,928 234.651,929 84.7,930 19.279,931 8.423,932 47.381,933 33.571,934 76.071,935 1.899,936 223.651,937 7.76,938 223.651,939 138.504,940 55.88,943 223.651,944 55.88,947 26.719,948 78.214,949 33.571,951 268.531,952 50.82,953 98.685,956 231.41,957 24.264,958 72.909,960 89.451,961 223.651,962 95.7,963 98.685,965 0.594,966 0.329,967 0.157,968 0.098,969 19,970 9,971 0.065,972 3,974 1,975 3.568,976 207.786,978 18,979 103.342,985 17.811,986 7.087,987 4.159,989 95.7,990 7.756,991 8.136,995 0.659,998 418.035,999 33,1011 45.225,1012 50.959,1013 0.322,1014 0.62,1015 0.759,1016 0.824,1017 0.824,1018 0.824,1019 4.796,1020 1.224,1021 5.765,1022 3.719,1023 4.369,1024 4.779,1025 3.188,1026 6.605,1027 4.202,1028 6.01,1029 1,1030 7.357,1031 3.493,1032 4.205,1033 4.649,1034 3.919,1035 7.774,1036 3.842,1037 7.33,1038 1,1039 9.057,1040 2.275,1041 6.057,1042 6.911,1043 5.429,1044 10.743,1045 5.704,1046 8.681,1047 0.491,1048 10.822,1049 2.275,1050 6.648,1051 7.511,1052 6.69,1053 12.689,1054 6.085,1055 10.063,1056 -0.15,1057 12.629,1058 0.759,1059 8.054,1060 9.331,1061 8.058,1062 15.273,1063 7.479,1064 11.464,1065 -0.409,1066 14.466,1067 -0.34,1068 8.965,1069 10.276,1070 9.389,1071 17.518,1072 8.197,1073 12.881,1074 -0.686,1075 16.325,1076 -0.861,1077 10.213,1078 11.894,1079 10.734,1080 19.995,1081 9.394,1082 3.343,1083 -0.814,1084 18.201,1085 -2.081,1086 11.269,1087 13.027,1088 12.074,1089 22.36,1090 10.279,1091 2.922,1092 11.758,1093 20.091,1094 -2.233,1095 12.463,1096 14.541,1097 13.416,1098 24.811,1099 11.39,1100 2.74,1101 9.471,1102 21.992,1103 4.093,1104 13.587,1105 15.783,1106 14.758,1107 27.227,1108 12.36,1109 2.408,1110 8.667,1111 23.903,1112 3.647,1113 14.767,1114 17.241,1115 16.1,1116 29.675,1117 13.437,1118 2.257,1119 6.786,1120 25.821,1121 3.243,1122 15.924,1123 18.547,1124 17.441,1125 32.114,1126 14.451,1127 1.738,1128 6.12,1129 27.746,1130 2.995,1131 17.105,1132 19.976,1133 18.783,1134 34.566,1135 15.515,1136 1.268,1137 5.132,1138 29.676,1139 2.426,1140 18.279,1141 21.321,1142 20.124,1143 37.016,1144 16.554,1145 6336,1146 11682,1147 17.394,1148 28.142,1149 41.244,1150 40.739,1151 41.701,1152 40.972,1153 40.783,1154 49.671,1155 12.571,1156 120.907,1157 37.345,1158 5.522,1159 6.461,1160 6.678,1161 5.28,1162 5.343,1163 7.093,1164 5.335,1165 18.886,1166 4.958,1167 14.193,1168 1.528,1169 1.509,1170 1.544,1171 1.517,1172 1.51,1173 1.84,1174 0.466,1175 4.478,1176 1.383,1177 4.011,1178 4.052,1179 3.978,1180 3.907,1181 8.513,1182 3.915,1183 3.834,1184 3.889,1185 3.762,1186 3.663,1187 7.999,1188 3.682,1189 3.711,1190 3.76,1191 3.639,1192 3.526,1193 7.999,1194 3.543,1195 3.319,1196 3.379,1197 3.315,1198 3.009,1199 4.98,1200 3.055,1201 3.241,1202 3.32,1203 3.088,1204 2.968,1205 4.808,1206 2.984,1207 3.111,1208 3.206,1209 2.929,1210 2.941,1211 4.379,1212 2.91,1213 3.108,1214 3.195,1215 2.866,1216 2.814,1217 4.311,1218 2.834,1219 2.854,1220 2.925,1221 2.687,1222 2.735,1223 3.845,1224 2.715,1225 0.167,1226 0.165,1227 0.264,1228 0.156,1229 0.124,1230 4.522,1231 0.152,1232 4.461,1233 0.142,1234 7.127,1235 0.435,1236 4.206,1237 0.11,1238 3.343,1239 4.093,1240 3.825,1241 11.758,1242 2.958,1243 1.944,1244 1.919,1245 2.032,1246 2.079,1247 1.286,1248 2.063,1249 1.784,1250 1.721,1251 1.974,1252 1.978,1253 1.116,1254 1.982,1255 1.633,1256 1.586,1257 1.731,1258 1.833,1259 0.825,1260 1.803,1261 1.197,1262 1.128,1263 1.563,1264 1.51,1265 0.784,1266 1.524,1267 1.181,1268 1.083,1269 1.533,1270 1.487,1271 0.641,1272 1.493,1273 1.153,1274 1.064,1275 1.513,1276 1.376,1277 0.568,1278 1.429,1279 0.961,1280 0.907,1281 1.181,1282 1.32,1283 0.263,1284 1.235,1285 0.886,1286 0.821,1287 1.074,1288 1.062,1289 0.218,1290 1.107,1291 4.007,1293 5.352,1295 6.887,1297 8.498,1299 10.151,1301 3.514,1303 39.824,1307 2.717,1310 5.086,1313 3.913,1314 -4.522,1318 27.692,1319 77.263,1320 148.938,1321 182.341,1322 197.95,1323 197.95,1324 197.95,1325 50.161,1326 7.023,1327 41.49,1328 41.49,1329 18,1330 12.419,1331 3.7,1332 2.807,1333 41.477,1334 84,1335 98,1336 0.247,1337 168.864,1338 298.94,1339 403.787,1340 9019,1341 6.8,1342 18.027,1343 0.721,1344 0.562,1345 15.527,1346 14.046,1347 11.864,1348 0.439,1349 0.293,1350 7.696,1351 11.082,1352 7.523,1353 6.203,1354 10.652,1355 7.908,1356 11.499,1357 0.295,1358 0.153,1359 9.541,1360 5.955,1361 8.867,1362 0.185,1363 0.087,1364 7.878,1365 4.177,1366 6.711,1367 0.114,1368 0.045,1369 6.306,1370 2.637,1371 5.921,1372 0.072,1373 0.023,1374 5.302,1375 1.924,1376 0.376,1377 76.635,1378 0.24,1379 23.917,1380 0.709,1381 132,1382 582.649,1383 160.333,1384 475.41,1385 619.49,1386 442,1387 153,1388 431.757,1389 176.305,1390 418.359,1391 630.55,1392 389,1393 4.224}
{0 CHEMBL1373849,1 1.885,2 10,3 5.692,4 32.401,5 105.025,6 11.324,7 0.462,8 3.678,9 3.735,10 3.638,11 3.44,12 4.918,13 3.377,14 4.138,15 4.219,16 4.146,17 3.845,18 5.392,19 3.752,20 4.376,21 4.479,22 4.221,23 3.935,24 5.743,25 3.826,26 4.399,27 4.553,28 4.145,29 3.865,30 5.685,31 3.706,32 4.166,33 4.294,34 3.948,35 3.759,36 5.438,37 3.613,38 4.146,39 4.238,40 4.177,41 3.781,42 5.527,43 3.622,44 3.995,45 4.059,46 3.987,47 3.568,48 5.541,49 3.439,50 3.801,51 3.932,52 3.738,53 3.347,54 5.264,55 3.176,56 0.095,57 0.381,58 1.486,59 2.376,60 11.134,61 2.612,62 0.194,63 0.681,64 6.718,65 4.617,66 12.773,67 4.502,68 0.383,69 0.796,70 12.799,71 6.701,72 41.752,73 7.118,74 0.48,75 0.935,76 26.632,77 9.003,78 66.268,79 8.367,80 0.274,81 0.726,82 19.434,83 6.746,84 26.003,85 6.611,86 0.324,87 0.729,88 19.757,89 6.958,90 44.091,91 5.278,92 0.389,93 0.583,94 14.915,95 6,96 49.24,97 4.57,98 0.292,99 0.483,100 17.459,101 5.125,102 48.319,103 4.934,104 26,105 37,106 0.341,107 0.672,108 0.751,109 0.821,110 0.836,111 0.836,112 3.228,113 1.028,114 -4.98,115 -4.88,116 -4.58,119 48.6,125 1,134 1,137 1,141 7,142 2,143 3,156 1,157 1,171 9,173 1,174 2,182 12,186 5,191 4,194 6,199 5,204 1,207 8,213 7,218 1,221 3,226 2,234 7,239 5,244 1,247 7,254 2,259 7,271 7,274 798,275 15.792,276 15.792,277 15.792,278 15.792,279 15.792,280 13.755,281 12.777,282 9.168,283 16.395,284 12.787,285 12.787,286 12.787,287 12.787,288 12.787,289 9.705,290 12.474,291 4.371,292 13.935,293 3.244,294 1.419,295 0.983,296 0.593,297 0.514,298 0.514,299 3.903,302 2,306 1,307 509,308 2.55,311 68.945,312 166.728,319 1.667,320 28.916,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 51.167,332 240,333 4.439,334 4.909,335 6.659,336 4.081,337 3.163,338 4.086,339 4.507,340 10.615,341 2.913,342 4.325,343 3.688,344 6.31,345 3.887,346 2.974,347 3.712,348 1.22,349 9.306,350 2.688,351 3.894,352 3.39,353 5.593,354 3.494,355 2.508,356 3.431,357 0.587,358 7.441,359 2.466,360 3.644,361 3.318,362 5.292,363 3.217,364 2.265,365 2.95,366 0.401,367 6.727,368 2.123,369 3.3,370 2.713,371 5.104,372 2.801,373 1.879,374 2.481,376 5.736,377 1.71,378 3.232,379 2.623,380 4.879,381 2.707,382 1.874,383 2.47,385 5.225,386 1.442,387 2.98,388 2.266,389 4.614,390 2.504,391 1.605,392 2.11,394 4.477,395 1.441,396 2.821,397 1.83,398 3.638,399 2.323,400 1.377,401 1.842,403 3.058,404 1.245,405 2.5,406 1.684,407 3.34,408 2,409 1,410 1.5,412 2.136,413 1,414 1.953,415 1.426,416 3.247,417 1.47,418 0.558,419 0.676,421 1.399,422 0.475,423 1.633,424 1.394,425 2.997,426 1.213,427 0.348,428 0.434,430 0.838,431 0.275,432 1.129,433 1,434 2.653,435 0.644,436 -0.222,437 -0.268,439 -0.594,440 -0.171,441 1,442 0.362,443 2.604,444 0.473,445 -0.347,446 -0.445,448 -0.898,449 -0.229,450 0.934,451 0.173,452 2.293,453 0.448,454 -0.488,455 -0.655,457 -1.122,458 -0.453,459 0.5,460 0.088,461 2.038,463 -0.869,464 -1.091,466 -2.208,467 -0.638,468 12.662,469 0.528,470 0.72,471 0.03,472 31.25,473 1.302,474 16.5,475 0.688,476 14.75,477 0.615,478 19.953,479 0.831,480 23.938,481 0.684,482 21.814,483 0.909,484 6.126,485 0.255,486 5.326,487 0.222,488 0.231,490 0.347,493 0.71,494 0.907,495 0.534,496 0.609,497 0.695,498 0.654,499 0.612,500 1.033,501 0.562,502 0.722,503 0.597,504 0.783,505 0.736,506 1.129,507 0.864,508 1.054,509 0.808,510 1.077,511 1.088,512 0.989,513 1.021,514 1.015,515 1.102,516 0.997,517 0.962,518 0.947,519 1.171,520 1.08,521 0.842,522 0.926,523 1.319,524 1.006,525 0.988,526 1.022,527 1.599,528 0.855,529 0.901,530 1.276,531 1.359,532 1.597,533 1.344,534 1.204,535 0.598,536 1.013,537 0.791,538 0.981,539 0.668,540 0.994,541 5.5,542 0.115,543 2.889,544 2.451,545 1.321,546 0.889,547 0.528,548 0.477,549 0.167,550 0.1,551 6215,552 24560,553 2.015,554 31.4,556 10,559 1,564 1.669,565 1.846,566 3.281,567 -0.26,573 65.984,574 1.885,575 3.711,576 4.146,577 4.536,578 4.615,579 4.615,580 2.757,581 3.97,582 4.557,583 3.446,584 951.229,585 7.862,586 11156.1,591 179.525,592 1.528,593 4.493,594 0.212,595 0.009,596 0.078,597 0.066,598 0.044,599 0.03,600 0.018,601 0.019,602 0.009,603 0.007,604 0.491,605 0.5,606 1,607 0.663,608 114.077,609 -0.082,610 -0.009,611 -0.007,612 0.058,613 -0.107,614 0.041,615 0.056,616 -0.054,617 0.107,618 0.048,619 -0.001,620 -0.013,621 0.161,622 -0.221,623 -0.002,624 -0.183,625 0.09,626 -0.169,627 -0.085,628 0.056,629 0.024,630 0.06,631 -0.047,632 0.071,633 -0.129,634 0.097,635 -0.138,636 -0.004,637 0.006,638 0.078,639 -0.231,640 0.102,641 0.059,642 0.17,643 -0.241,644 0.087,645 0.265,646 -0.231,647 -0.18,648 -0.419,649 0.025,650 -0.286,651 0.356,652 -0.038,653 0.241,654 0.101,655 0.34,656 0.061,657 1.841,658 5.595,659 0.708,660 20.167,661 1.025,662 1.09,663 3.75,664 14.059,665 0.814,666 3.296,667 3.638,668 3.892,669 4.111,670 4.263,671 4.263,672 4.344,673 4.466,674 4.533,675 4.489,676 5.937,677 0.761,678 396.33,679 3.296,680 4.844,681 5.694,682 6.572,683 7.438,684 8.32,685 9.192,686 10.078,687 10.954,688 11.841,689 2.9,696 1,707 7,712 5,714 12,729 1,732 2,733 35,735 15,736 2,737 26,739 37,740 17,741 12,742 5,743 7,744 3,747 3,748 3,749 2,762 16,763 1,766 3,771 1,772 1,773 1,775 3,782 11,783 3,784 1,785 7,786 4,791 1,794 1,796 1,797 2,815 1,816 2,835 2,842 1,845 3,848 2,851 2,854 24,861 1,862 1,866 1,868 1,877 2,878 5.7,880 1,881 1,885 13,886 6.352,887 5.222,888 1.912,890 2.617,891 1.378,892 0.97,893 5.396,894 9.539,895 3.584,896 4.174,897 4.691,898 5.175,899 5.655,900 5.779,901 6.057,902 6.402,903 6.691,904 6.79,905 0.857,906 37,907 8.843,909 3.826,910 7.981,911 16.411,913 13.409,915 2.481,916 59.556,920 117.711,921 174.955,922 3.124,923 78.297,924 67.828,926 77.412,927 97.543,928 263.837,929 3.124,931 5.23,932 75.81,933 74.084,934 13.372,936 149.931,937 123.489,938 117.711,939 100.668,940 67.828,941 155.709,943 117.711,944 67.828,947 5.23,948 84.411,949 89.324,950 77.412,951 117.711,952 70.953,953 253.252,956 117.711,957 53.953,958 78.934,960 191.318,961 117.711,962 70.953,963 253.252,965 0.592,966 0.35,967 0.177,968 0.092,969 18,970 9,971 0.081,972 3,974 1,975 3.562,976 192.406,978 17,979 100.039,981 1,982 1,985 17.61,986 7.354,987 3.908,989 70.953,990 12.751,995 1.725,997 42.683,998 441.916,999 35,1004 12.595,1005 5.317,1006 1.668,1008 0.842,1011 35.858,1012 38.136,1013 0.368,1014 0.723,1015 0.808,1016 0.884,1017 0.9,1018 0.9,1019 4.828,1020 1.377,1021 5.7,1022 4.477,1023 4.317,1024 4.86,1025 3.76,1026 6.518,1027 4.154,1028 6.051,1029 1,1030 7.274,1031 3.058,1032 4.007,1033 4.705,1034 3.054,1035 7.405,1036 3.696,1037 7.366,1038 0.558,1039 8.946,1040 2.136,1041 5.927,1042 7.01,1043 6.567,1044 10.51,1045 5.63,1046 8.712,1047 0.348,1048 10.671,1049 1.399,1050 6.399,1051 7.596,1052 6.478,1053 12.198,1054 5.943,1055 10.085,1056 -0.222,1057 12.43,1058 0.838,1059 7.828,1060 9.421,1061 9.502,1062 14.828,1063 7.38,1064 11.478,1065 -0.347,1066 14.213,1067 -0.594,1068 8.658,1069 10.363,1070 9.746,1071 16.872,1072 8.056,1073 12.887,1074 -0.488,1075 16.014,1076 -0.898,1077 9.9,1078 11.977,1079 12.451,1080 19.326,1081 9.279,1082 3.163,1083 -0.869,1084 17.828,1085 -1.122,1086 10.894,1087 13.11,1088 12.932,1089 21.533,1090 10.134,1091 2.974,1092 10.615,1093 19.655,1094 -2.208,1095 12.063,1096 14.618,1097 15.408,1098 23.919,1099 11.259,1100 2.508,1101 9.306,1102 21.49,1103 4.086,1104 13.132,1105 15.858,1106 16.07,1107 26.201,1108 12.206,1109 2.265,1110 7.441,1111 23.333,1112 3.712,1113 14.275,1114 17.31,1115 18.371,1116 28.561,1117 13.286,1118 1.879,1119 6.727,1120 25.183,1121 3.431,1122 15.378,1123 18.612,1124 19.176,1125 30.879,1126 14.281,1127 1.874,1128 5.736,1129 27.039,1130 2.95,1131 16.513,1132 20.035,1133 21.339,1134 33.231,1135 15.341,1136 1.605,1137 5.225,1138 28.899,1139 2.481,1140 17.633,1141 21.375,1142 22.261,1143 35.566,1144 16.363,1145 6096,1146 12284,1147 16.819,1148 28.494,1149 39.825,1150 44.826,1151 40.731,1152 39.422,1153 39.104,1154 51.386,1155 13.43,1156 113.915,1157 35.556,1158 5.363,1159 6.909,1160 6.461,1161 5.206,1162 5.163,1163 7.086,1164 8.641,1165 17.593,1166 4.913,1167 13.582,1168 1.532,1169 1.724,1170 1.567,1171 1.516,1172 1.504,1173 1.976,1174 0.517,1175 4.381,1176 1.368,1177 3.979,1178 3.996,1179 4.225,1180 3.939,1181 7.428,1182 3.92,1183 3.898,1184 3.918,1185 4.079,1186 3.845,1187 6.47,1188 3.837,1189 3.695,1190 3.7,1191 3.815,1192 3.677,1193 4.928,1194 3.613,1195 3.21,1196 3.251,1197 3.582,1198 3.129,1199 4.788,1200 3.096,1201 2.97,1202 2.991,1203 3.456,1204 2.971,1205 4.706,1206 2.884,1207 2.901,1208 2.925,1209 3.144,1210 2.849,1211 4.632,1212 2.815,1213 2.854,1214 2.918,1215 3,1216 2.735,1217 4.251,1218 2.715,1219 2.804,1220 2.76,1221 2.762,1222 2.694,1223 3.827,1224 2.68,1225 0.171,1226 0.189,1227 0.256,1228 0.157,1229 0.122,1230 4.439,1231 0.157,1232 4.909,1233 0.173,1234 6.659,1235 0.408,1236 4.081,1237 0.112,1238 3.163,1239 4.086,1240 4.507,1241 10.615,1242 2.913,1243 1.913,1244 1.894,1245 2.038,1246 2.001,1247 1.161,1248 2.015,1249 1.895,1250 1.878,1251 1.933,1252 1.953,1253 1.095,1254 1.961,1255 1.462,1256 1.45,1257 1.56,1258 1.653,1259 0.727,1260 1.628,1261 1.344,1262 1.341,1263 1.381,1264 1.411,1265 0.588,1266 1.446,1267 0.944,1268 0.932,1269 1.181,1270 1.092,1271 0.218,1272 1.107,1273 0.886,1274 0.827,1275 1,1276 1.062,1277 0.109,1278 1.083,1279 0.849,1280 0.821,1281 0.986,1282 0.963,1283 0.105,1284 1.004,1285 0.8,1286 0.801,1287 0.88,1288 0.962,1290 1,1291 3.97,1293 5.303,1294 2.398,1295 6.821,1296 4.844,1297 8.42,1298 6.986,1299 10.06,1302 11.828,1306 9.606,1307 0.43,1311 1.232,1313 1.56,1318 26.641,1319 65.984,1320 129.873,1321 145.119,1322 158.77,1323 161.525,1324 161.525,1325 49.749,1326 6.922,1327 42.23,1328 102.56,1329 17,1330 12.374,1331 4,1332 3.322,1333 39.296,1334 85,1335 81,1336 0.228,1337 179.028,1338 316.04,1339 428.588,1340 8552,1341 5.7,1342 17.267,1343 0.719,1344 0.639,1345 19.121,1346 15.346,1347 11.452,1348 0.44,1349 0.343,1350 7.04,1351 10.041,1352 6.703,1353 5.514,1354 12.727,1355 8.908,1356 10.623,1357 0.287,1358 0.205,1359 12.539,1360 7.577,1361 8.996,1362 0.187,1363 0.111,1364 10.906,1365 5.348,1366 7.059,1367 0.118,1368 0.066,1369 9.058,1370 3.981,1371 5.295,1372 0.076,1373 0.036,1374 6.7,1375 2.492,1376 0.356,1377 83.727,1378 0.244,1379 23.41,1380 0.632,1381 126,1382 405.658,1383 209.231,1384 500.17,1385 645.12,1386 460,1387 148,1388 386.028,1389 213.101,1390 438.51,1391 645.05,1392 410,1393 4.306}
{0 CHEMBL1374860,1 1.729,2 8.6,3 2.745,4 7.536,5 76.616,6 8.829,7 0.286,8 3.601,9 3.664,10 3.511,11 3.227,12 4.787,13 3.185,14 4.096,15 4.207,16 3.757,17 3.538,18 5.623,19 3.505,20 4.26,21 4.385,22 3.792,23 3.611,24 5.666,25 3.562,26 4.351,27 4.524,28 3.691,29 3.455,30 5.715,31 3.424,32 4.204,33 4.328,34 3.529,35 3.294,36 5.645,37 3.251,38 4.005,39 4.175,40 3.397,41 3.261,42 5.427,43 3.187,44 3.977,45 4.1,46 3.19,47 3.219,48 5.396,49 3.185,50 3.81,51 3.954,52 3.012,53 3.215,54 5.358,55 3.108,56 0.134,57 0.445,58 7.733,59 3.615,60 18.173,61 3.508,62 0.425,63 0.684,64 11.221,65 5.285,66 58.754,67 5.912,68 0.321,69 0.827,70 14.728,71 6.496,72 39.258,73 6.725,74 0.484,75 0.865,76 19.571,77 6.576,78 62.109,79 6.408,80 0.679,81 0.683,82 16.94,83 5.599,84 87.692,85 4.092,86 0.397,87 0.627,88 21.459,89 6.261,90 50.908,91 5.967,92 0.476,93 0.531,94 11.368,95 4.256,96 99.76,97 3.719,98 0.255,99 0.494,100 6.714,101 4.064,102 54.335,103 5.178,104 26,105 30,106 0.319,107 0.624,108 0.685,109 0.727,110 0.742,111 0.742,112 3.057,113 1.041,114 -3.52,115 -3.5,116 -3.34,119 42.4,120 2,134 2,135 2,141 5,143 1,154 2,164 1,171 8,173 3,174 4,182 8,185 2,186 14,194 6,199 14,207 3,212 1,213 9,225 1,226 9,234 4,247 12,250 2,259 10,264 2,271 4,274 448,275 12.8,276 12.8,277 12.8,278 12.8,279 12.8,280 10.953,281 9.361,282 7.441,283 12.939,284 10.324,285 10.324,286 10.324,287 10.324,288 10.324,289 7.502,290 8.177,291 3.498,292 10.558,293 3.315,294 1.66,295 1.33,296 1.099,297 1.015,298 1.015,299 3.706,304 1,305 1,306 1,307 354,308 3.24,312 142.463,319 1.14,320 31.972,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 44.5,332 172,333 4.846,334 5.349,335 7.293,336 4.296,337 3.376,338 4.698,339 4.41,340 12.407,341 3.087,342 4.393,343 3.883,344 6.416,345 3.994,346 3.001,347 3.863,348 1.126,349 9.76,350 2.969,351 3.577,352 3.431,353 5.025,354 3.173,355 2.138,356 3.056,358 5.949,359 2.202,360 3.515,361 2.917,362 4.912,363 3.027,364 2.023,365 2.726,367 5.36,368 2.029,369 3.39,370 2.315,371 4.879,372 2.879,373 1.879,374 2.562,376 5.225,377 1.879,378 2.714,379 2.147,380 3.737,381 2.24,382 1.253,383 1.786,385 2.854,386 1.23,387 2.548,388 1.643,389 3.473,390 2,391 1,392 1.5,394 2.305,395 1,396 2.5,397 1.043,398 3.247,399 1.941,400 0.954,401 1.338,403 2.136,404 0.938,405 1.408,406 1,407 2.978,408 1.031,409 0.026,410 0.032,412 0.066,413 0.026,414 1,415 0.57,416 2.653,417 0.653,418 -0.347,419 -0.382,421 -0.898,422 -0.347,423 0.838,424 0.344,425 2.529,426 0.406,427 -0.673,428 -1,430 -1.491,431 -0.678,432 0.826,433 -0.11,434 2.212,435 0.23,436 -0.73,437 -1.017,439 -1.638,440 -0.723,441 0.733,442 -0.146,443 2,445 -1,446 -1.439,448 -2.347,449 -1,450 0.5,451 -0.839,452 1.555,454 -1,455 -1.5,457 -3,458 -1,459 0.084,460 -1,461 1.468,462 -0.182,463 -1.167,464 -1.562,466 -3.498,467 -1.147,468 9.567,469 0.478,470 0.687,471 0.034,472 27,473 1.35,474 15,475 0.75,476 12,477 0.6,478 13.341,479 0.667,480 21.633,481 0.656,482 20,483 1,484 5.488,485 0.274,486 3.911,487 0.196,488 0.209,489 0.087,490 0.261,493 0.387,494 1.118,495 0.764,496 1.28,497 0.636,498 0.94,499 0.46,500 1.029,501 0.611,502 0.89,503 0.499,504 0.846,505 0.85,506 1.369,507 1.016,508 1.232,509 0.793,510 1.135,511 1.428,512 1.107,513 1.106,514 1.036,515 1.102,516 0.951,517 2.327,518 0.861,519 1.491,520 0.856,521 1.891,522 0.971,523 1.023,524 0.941,525 1.745,526 1.403,527 1.02,528 0.774,529 1.89,530 0.65,531 1.121,532 0.673,533 2.443,534 0.968,535 0.154,536 1.173,537 0.75,538 1.113,539 0.216,540 1.454,541 5.5,542 0.025,543 3.111,544 1.938,545 0.973,546 0.806,547 0.367,548 0.274,549 0.123,550 0.094,551 3457,552 12048,553 1.927,554 39.4,555 6,556 7,564 1.618,565 1.752,566 3.054,567 -0.689,569 1,571 1,573 57.056,574 1.729,575 3.385,576 3.715,577 3.945,578 4.029,579 4.029,580 2.428,581 3.222,582 4.298,583 3.188,584 605.73,585 7.341,586 6195.65,587 1,588 1,589 1,590 1,591 166.465,592 1.734,593 4.207,594 0.262,595 0.008,596 0.104,597 0.065,598 0.039,599 0.042,600 0.017,601 0.016,602 0.008,603 0.012,604 0.573,605 0.67,606 1,607 0.716,608 88.378,609 0.222,610 -0.015,611 0.266,612 -0.119,613 -0.127,614 0.007,615 0.388,616 -0.033,617 0.215,618 0.054,619 0.28,620 0.083,621 0.02,622 -0.327,623 -0.064,624 -0.237,625 0.027,626 -0.213,627 -0.245,628 -0.07,629 -0.046,630 -0.076,631 -0.09,632 -0.033,633 -0.598,634 0.132,635 -0.34,636 0.16,637 -0.421,638 -0.128,639 0.012,640 0.127,641 -0.155,642 -0.029,643 0.131,644 0.298,645 -0.528,646 0.26,647 -0.375,648 0.15,649 -0.65,650 -0.111,651 0.372,652 -0.276,653 -0.208,654 -0.33,655 0.408,656 -0.49,657 4.864,658 4.917,659 0.6,660 12.36,661 1.024,662 1.114,663 2.291,664 5.25,665 0.698,666 3.091,667 3.434,668 3.611,669 3.761,670 3.85,671 3.829,672 3.611,673 3.611,674 3.555,675 3.555,676 5.08,677 0.674,678 291.35,679 3.091,680 4.635,681 5.46,682 6.337,683 7.179,684 8.057,685 8.904,686 9.784,687 10.633,688 11.513,689 3,698 1,707 5,712 1,714 6,733 33,735 12,736 1,737 21,739 34,740 14,741 6,742 1,743 5,744 6,747 2,748 2,753 2,762 12,763 2,766 6,769 1,771 3,773 2,774 1,775 4,778 1,779 1,782 13,783 5,785 6,786 1,791 1,796 1,797 4,816 2,828 1,835 2,836 2,845 2,848 1,850 2,854 20,860 1,865 1,878 12.1,881 3,883 1,885 11.417,886 6.617,887 4.347,888 1.819,890 2.292,891 1.374,892 0.956,893 3.981,894 8.417,895 3.434,896 4.052,897 4.497,898 4.932,899 5.323,900 5.491,901 5.524,902 5.682,903 5.877,904 6.16,905 0.833,906 30,907 7.645,909 3.489,910 8.238,911 13.527,913 10.787,915 2.738,916 54.75,920 153.024,921 107.546,922 19.4,924 78.222,926 7.75,927 99.796,928 231.246,929 19.4,930 17.65,932 74.084,933 77.348,934 36.086,936 153.024,938 153.024,939 119.196,940 78.222,941 7.75,943 153.024,944 78.222,947 37.05,948 63.193,949 26.702,951 153.024,952 97.622,953 107.546,955 7.75,956 153.024,957 15.812,958 83.984,960 97.622,961 153.024,962 97.622,963 107.546,965 0.594,966 0.337,967 0.166,968 0.08,969 14,970 7,971 0.088,972 3,974 1,975 3.12,976 143.085,978 12,979 74.439,984 1,985 14.385,986 5.535,987 3.31,989 97.622,990 7.742,995 0.027,998 358.192,999 30,1002 -3.947,1004 35.12,1006 2.759,1007 3.668,1008 1.338,1011 33.789,1012 36.747,1013 0.343,1014 0.671,1015 0.736,1016 0.782,1017 0.799,1018 0.799,1019 4.677,1020 0.954,1021 5.509,1022 2.305,1023 4.111,1024 4.736,1025 3.748,1026 6.368,1027 4.064,1028 5.951,1029 0.026,1030 7.12,1031 2.136,1032 4.007,1033 4.902,1035 7.678,1036 3.879,1037 7.324,1038 -0.347,1039 8.852,1040 0.066,1041 5.82,1042 7.066,1043 6.634,1044 10.67,1045 5.675,1046 8.739,1047 -0.673,1048 10.658,1049 -0.898,1050 6.494,1051 8.024,1053 12.774,1054 6.235,1055 10.188,1056 -0.73,1057 12.51,1058 -1.491,1059 7.888,1060 9.761,1061 9.597,1062 15.404,1063 7.601,1064 11.662,1065 -1,1066 14.395,1067 -1.638,1068 8.878,1069 11.053,1071 17.771,1072 8.475,1073 13.156,1074 -1,1075 16.302,1076 -2.347,1077 10.134,1078 12.651,1079 12.564,1080 20.307,1081 9.684,1082 3.376,1083 -1.167,1084 18.227,1085 -3,1086 11.249,1087 14.084,1089 22.764,1090 10.694,1091 3.001,1092 12.407,1093 20.163,1094 -3.498,1095 12.462,1096 15.636,1097 15.532,1098 25.277,1099 11.844,1100 2.138,1101 9.76,1102 22.108,1103 4.698,1104 13.627,1105 17.129,1107 27.766,1108 12.912,1109 2.023,1110 5.949,1111 24.061,1112 3.863,1113 14.828,1114 18.669,1115 18.5,1116 30.276,1117 14.039,1118 1.879,1119 5.36,1120 26.019,1121 3.056,1122 16.013,1123 20.188,1125 32.779,1126 15.133,1127 1.253,1128 5.225,1129 27.982,1130 2.726,1131 17.213,1132 21.727,1133 21.467,1134 35.29,1135 16.252,1136 1,1137 2.854,1138 29.948,1139 2.562,1140 18.408,1141 23.258,1143 37.8,1144 17.357,1145 3539,1146 6766,1147 13.118,1148 23.04,1149 32.113,1150 35.704,1151 32.494,1152 31.335,1153 31.3,1154 43.12,1155 11.071,1156 92.122,1157 30.723,1158 5.619,1159 7.349,1160 7.095,1161 5.328,1162 5.376,1163 7.698,1164 8.82,1165 19.572,1166 5.087,1167 11.694,1168 1.529,1169 1.7,1170 1.547,1171 1.492,1172 1.49,1173 2.053,1174 0.527,1175 4.387,1176 1.463,1177 4.059,1178 4.031,1179 4.728,1180 4.035,1181 7.721,1182 3.955,1183 3.899,1184 3.918,1185 3.861,1186 3.821,1187 7.429,1188 3.823,1189 3.598,1190 3.555,1191 3.672,1192 3.51,1193 6.999,1194 3.43,1195 3.327,1196 3.402,1197 3.155,1198 3.204,1199 4.864,1200 3.184,1201 3.116,1202 3.148,1203 3.071,1204 2.882,1205 4.707,1206 2.911,1207 2.854,1208 2.927,1209 2.687,1210 2.735,1211 4.288,1212 2.715,1213 2.845,1214 2.925,1215 2.654,1216 2.562,1217 4.044,1218 2.571,1219 2.607,1220 2.655,1221 2.492,1222 2.447,1223 3.674,1224 2.428,1225 0.231,1226 0.255,1227 0.347,1228 0.205,1229 0.161,1230 4.846,1231 0.224,1232 5.349,1233 0.21,1234 7.293,1235 0.591,1236 4.296,1237 0.147,1238 3.376,1239 4.698,1240 4.41,1241 12.407,1242 3.087,1243 1.944,1244 1.954,1245 1.996,1246 2.024,1247 1.136,1248 2.05,1249 1.873,1250 1.851,1251 1.984,1252 1.97,1253 1.1,1254 1.979,1255 1.385,1256 1.447,1257 1.67,1258 1.567,1259 0.754,1260 1.596,1261 1.361,1262 1.292,1263 1.369,1264 1.546,1265 0.487,1266 1.593,1267 1.041,1268 0.99,1269 1.181,1270 1.31,1271 0.39,1272 1.326,1273 0.886,1274 0.821,1275 1.134,1276 1.062,1277 0.218,1278 1.107,1279 0.751,1280 0.68,1281 0.947,1282 1.054,1283 0.027,1284 1.012,1285 0.554,1286 0.52,1287 0.887,1288 0.799,1290 0.856,1291 3.761,1293 5.094,1295 6.621,1297 8.235,1299 9.89,1301 3.345,1310 4.698,1318 22.229,1319 57.056,1320 111.694,1321 122.591,1322 130.2,1323 132.955,1324 132.955,1325 47.406,1326 6.125,1327 72.8,1328 81.18,1329 12,1330 12.055,1331 3.7,1332 3.322,1333 36.431,1334 62,1335 52,1336 0.299,1337 143.695,1338 261.33,1339 342.375,1340 2971,1342 14.751,1343 0.738,1344 0.592,1345 15.001,1346 11.846,1347 9.399,1348 0.448,1349 0.347,1350 5.924,1351 8.282,1352 5.577,1353 4.706,1354 10.22,1355 7.288,1356 9.057,1357 0.302,1358 0.196,1359 10.381,1360 5.867,1361 6.842,1362 0.19,1363 0.107,1364 7.934,1365 3.843,1366 5.472,1367 0.13,1368 0.06,1369 6.336,1370 2.526,1371 3.59,1372 0.078,1373 0.032,1374 4.427,1375 1.48,1376 0.461,1377 67.488,1378 0.276,1379 19.834,1380 0.841,1381 102,1382 383.448,1383 151.33,1384 385.985,1385 509.04,1386 350,1387 117,1388 341.41,1389 173.867,1390 382.319,1391 548.14,1392 354,1393 4.303}
{0 CHEMBL1374957,1 1.457,2 10,3 3.217,4 10.351,5 89.016,6 8.036,7 0.48,8 3.735,9 3.826,10 3.365,11 3.355,12 4.956,13 3.342,14 4.201,15 4.316,16 3.701,17 3.699,18 5.435,19 3.675,20 4.418,21 4.577,22 3.733,23 3.765,24 5.648,25 3.729,26 4.409,27 4.582,28 3.635,29 3.688,30 5.64,31 3.645,32 4.34,33 4.508,34 3.624,35 3.596,36 5.816,37 3.562,38 4.224,39 4.393,40 3.444,41 3.54,42 5.493,43 3.484,44 4.212,45 4.395,46 3.38,47 3.475,48 5.461,49 3.419,50 4.096,51 4.285,52 3.239,53 3.328,54 5.364,55 3.255,56 0.029,57 0.467,58 6.289,59 3.387,60 8.241,61 3.933,62 0.129,63 0.735,64 11.262,65 5.51,66 17.072,67 6.437,68 0.192,69 0.903,70 16.19,71 7.004,72 35.709,73 8.222,74 0.235,75 0.897,76 16.815,77 6.853,78 39.173,79 8.01,80 0.429,81 0.814,82 16.057,83 6.447,84 72.327,85 7.721,86 0.189,87 0.732,88 13.799,89 5.885,90 41.481,91 6.928,92 0.212,93 0.736,94 14.117,95 5.671,96 44.038,97 6.696,98 0.285,99 0.651,100 12.694,101 5.147,102 42.177,103 6.404,104 13,105 34,106 0.258,107 0.589,108 0.768,109 0.88,110 0.911,111 0.911,112 3.188,113 0.863,114 -4.22,115 -4.16,116 -3.93,119 50,125 1,133 1,134 2,135 1,141 8,142 2,143 2,155 1,156 1,171 11,174 6,177 1,179 3,182 11,186 8,191 3,194 10,199 5,204 1,207 9,212 2,213 6,216 1,218 1,221 10,226 5,231 2,234 9,239 4,244 1,247 9,250 1,251 3,254 1,256 1,259 7,264 2,271 5,274 715,275 15.715,276 15.715,277 15.715,278 15.715,279 15.715,280 13.782,281 15.143,282 9.535,283 15.851,284 12.325,285 12.325,286 12.325,287 12.325,288 12.325,289 9.24,290 17.642,291 4.491,292 12.529,293 3.791,294 1.922,295 0.915,296 0.283,297 0.105,298 0.105,299 3.87,304 1,305 1,306 1,307 491,308 3.162,311 49.324,312 136.269,315 93.274,319 1.478,320 26.492,321 1,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 49.5,332 230,333 4.531,334 3.674,335 6.729,336 4.184,337 3.188,338 4.117,339 1.151,340 10.958,341 3.173,342 4.204,343 3.468,344 6.065,345 3.834,346 2.83,347 3.798,348 1.058,349 8.775,350 2.844,351 3.733,352 2.888,353 5.473,354 3.318,355 2.352,356 3.139,358 6.898,359 2.266,360 3.549,361 2.751,362 5.262,363 3.134,364 2.128,365 2.845,367 6.457,368 2.126,369 3.105,370 2.109,371 4.765,372 2.703,373 1.722,374 2.235,376 4.989,377 1.679,378 2.905,379 1.933,380 4.142,381 2.495,382 1.521,383 1.994,385 3.617,386 1.47,387 2.839,388 1.718,389 3.613,390 2.359,391 1.354,392 1.97,394 2.935,395 1.358,396 2.752,397 1.506,398 3.543,399 2.271,400 1.279,401 1.707,403 2.663,404 1.262,405 2.596,406 1.186,407 3.406,408 2.093,409 1.086,410 1.602,412 2.423,413 1.092,414 2.319,415 1.035,416 3.374,417 1.717,418 0.698,419 1.038,421 1.761,422 0.706,423 1.716,424 0.631,425 2.711,426 1.189,427 0.272,428 0.364,430 0.439,431 0.247,432 1.324,433 0.527,434 2.476,435 0.88,436 -0.143,437 -0.203,439 -0.355,440 -0.145,441 0.843,442 0.075,443 2.33,444 0.391,445 -0.587,446 -0.796,448 -1.185,449 -0.56,450 0.812,451 -0.309,452 2,453 0.358,454 -0.682,455 -0.925,457 -1.686,458 -0.695,459 0.67,460 -0.564,461 2,462 0.211,463 -0.804,464 -1.149,466 -1.993,467 -0.816,468 10.9,469 0.474,470 0.486,471 0.021,472 32.5,473 1.413,474 18.5,475 0.804,476 14,477 0.609,478 13.894,479 0.604,480 23.3,481 0.613,482 24.071,483 1.047,484 6.849,485 0.298,486 4.337,487 0.189,488 0.107,490 0.321,493 0.671,494 1.016,495 0.707,496 0.932,497 0.594,498 0.84,499 0.827,500 1.094,501 0.846,502 1.031,503 0.626,504 0.963,505 1.131,506 1.06,507 0.949,508 1.018,509 0.967,510 0.963,511 1.273,512 1.012,513 1.042,514 1.003,515 1.204,516 0.98,517 0.984,518 0.915,519 0.891,520 0.939,521 1.218,522 0.908,523 1.187,524 1.029,525 1.044,526 1.019,527 1.424,528 1.013,529 1.269,530 0.998,531 1.082,532 0.981,533 1.471,534 0.992,535 0.857,536 1.023,537 1.023,538 1.062,539 0.904,540 1.074,541 4,542 0.057,543 2.444,544 1.764,545 1.039,546 0.827,547 0.377,548 0.263,549 0.162,550 0.086,551 5550,552 16042,553 2.067,554 39.5,556 14,559 1,564 1.658,565 1.944,566 3.282,567 -0.369,568 1,569 1,571 1,573 55.352,574 1.457,575 3.326,576 4.333,577 4.965,578 5.143,579 5.143,580 2.736,581 4.437,582 4.494,583 3.411,584 862.985,585 7.74,586 9798.79,587 1,588 1,589 1,590 1,591 199.421,592 1.371,593 4.458,594 0.16,595 0.006,596 0.072,597 0.052,598 0.035,599 0.029,600 0.015,601 0.011,602 0.009,603 0.007,604 0.394,605 0.5,606 1,607 1.17,608 107.661,609 -0.033,610 -0.002,611 0.031,612 0.007,613 -0.085,614 0.028,615 0.018,616 -0.101,617 -0.024,618 -0.085,619 0.001,620 -0.072,621 -0.101,622 -0.087,623 -0.015,624 -0.055,625 -0.041,626 -0.026,627 -0.146,628 -0.028,629 -0.066,630 -0.044,631 -0.095,632 -0.037,633 0.274,634 0.048,635 0.114,636 0.03,637 0.254,638 0.039,639 -0.136,640 -0.078,641 -0.086,642 -0.044,643 -0.152,644 -0.056,645 -0.163,646 -0.016,647 -0.092,648 -0.016,649 -0.178,650 -0.035,651 0.198,652 -0.054,653 -0.021,654 -0.09,655 0.077,656 -0.097,657 1.932,658 5.45,659 0.652,660 17.758,661 1.007,662 1.106,663 2.992,664 8.95,665 0.703,666 3.258,667 3.555,668 3.829,669 4.094,670 4.29,671 4.263,672 4.357,673 4.407,674 4.331,675 4.369,676 5.768,677 0.68,678 305.35,679 3.258,680 4.779,681 5.624,682 6.497,683 7.366,684 8.247,685 9.125,686 10.01,687 10.893,688 11.78,689 2.6,696 1,707 8,712 4,714 12,719 1,730 1,733 38,735 16,736 2,737 25,739 40,740 19,741 12,742 4,743 8,744 4,747 3,748 4,762 18,763 1,766 4,767 1,771 2,773 2,775 3,778 1,779 1,782 15,783 4,784 1,785 4,791 1,796 0.667,797 3,815 1,816 2,819 1,829 1,833 1,835 2,836 1,845 2,854 23,862 1,864 1,865 1,878 7.9,881 2,883 1,885 11.833,886 6.833,887 5.194,888 2.139,890 3.037,891 1.439,892 0.991,893 4.288,894 9.961,895 3.584,896 4.127,897 4.7,898 5.242,899 5.775,900 5.917,901 6.278,902 6.579,903 6.792,904 7.088,905 0.857,906 34,907 8.495,909 3.623,910 7.942,911 15.81,913 12.683,915 2.442,916 56.167,920 164.795,921 142.517,922 18.011,924 61.29,927 142.517,928 226.085,929 18.011,931 38.37,932 94.762,933 60.128,934 28.557,936 164.795,938 164.795,939 160.528,940 61.29,943 164.795,944 61.29,947 22.603,948 118.972,949 18.952,951 164.795,952 79.3,953 142.517,956 164.795,957 31.987,958 94.762,959 18.011,960 77.057,961 164.795,962 79.3,963 142.517,965 0.568,966 0.335,967 0.187,968 0.106,969 16,970 7,971 0.125,972 5,973 1,974 1.133,975 3.539,976 179.866,977 0.133,978 15,979 104.042,985 15.104,986 6.53,987 3.188,989 79.3,990 14.155,995 2.52,997 18.011,998 386.613,999 35,1000 3.586,1004 24.489,1006 3.004,1008 -0.127,1011 38.269,1012 42.033,1013 0.278,1014 0.634,1015 0.826,1016 0.946,1017 0.98,1018 0.98,1019 4.796,1020 1.279,1021 5.595,1022 2.935,1023 4.234,1024 4.812,1025 1.773,1026 6.399,1027 4.212,1028 5.993,1029 1.086,1030 7.146,1031 2.663,1032 3.761,1033 4.511,1035 7.286,1036 3.758,1037 7.288,1038 0.698,1039 8.802,1040 2.423,1041 5.808,1042 6.953,1043 1.948,1044 10.411,1045 5.771,1046 8.622,1047 0.272,1048 10.521,1049 1.761,1050 6.196,1051 7.485,1053 12.173,1054 6.182,1055 9.991,1056 -0.143,1057 12.281,1058 0.439,1059 7.696,1060 9.383,1061 2.135,1062 14.801,1063 7.657,1064 11.386,1065 -0.587,1066 14.07,1067 -0.355,1068 8.491,1069 10.321,1071 16.926,1072 8.469,1073 12.8,1074 -0.682,1075 15.879,1076 -1.185,1077 9.767,1078 11.972,1079 2.332,1080 19.389,1081 9.731,1082 3.188,1083 -0.804,1084 17.704,1085 -1.686,1086 10.753,1087 13.12,1089 21.667,1090 10.723,1091 2.83,1092 10.958,1093 19.541,1094 -1.993,1095 11.94,1096 14.648,1097 2.54,1098 24.075,1099 11.903,1100 2.352,1101 8.775,1102 21.389,1103 4.117,1104 13.012,1105 15.91,1107 26.416,1108 12.976,1109 2.128,1110 6.898,1111 23.244,1112 3.798,1113 14.168,1114 17.376,1115 2.756,1116 28.808,1117 14.126,1118 1.722,1119 6.457,1120 25.107,1121 3.139,1122 15.279,1123 18.699,1125 31.176,1126 15.235,1127 1.521,1128 4.989,1129 26.975,1130 2.845,1131 16.426,1132 20.133,1133 2.981,1134 33.565,1135 16.376,1136 1.354,1137 3.617,1138 28.849,1139 2.235,1140 17.556,1141 21.49,1143 35.946,1144 17.502,1145 5452,1146 9373,1147 16.701,1148 26.699,1149 37.698,1150 39.167,1151 38.34,1152 36.772,1153 36.865,1154 49.617,1155 4.418,1156 103.827,1157 36.447,1158 5.346,1159 5.674,1160 6.592,1161 5.204,1162 5.188,1163 7.117,1164 2.302,1165 17.886,1166 5.173,1167 10.344,1168 1.508,1169 1.567,1170 1.534,1171 1.471,1172 1.475,1173 1.985,1174 0.177,1175 4.153,1176 1.458,1177 4.034,1178 4.055,1179 3.996,1180 3.959,1181 7.435,1182 3.965,1183 3.903,1184 3.923,1185 3.852,1186 3.831,1187 7.423,1188 3.832,1189 3.576,1190 3.62,1191 3.476,1192 3.439,1193 4.879,1194 3.438,1195 3.492,1196 3.522,1197 3.392,1198 3.385,1199 4.77,1200 3.382,1201 3.223,1202 3.245,1203 3.168,1204 3.005,1205 4.661,1206 3.039,1207 2.946,1208 2.996,1209 2.816,1210 2.772,1211 4.21,1212 2.771,1213 2.891,1214 2.949,1215 2.766,1216 2.757,1217 4.087,1218 2.753,1219 2.678,1220 2.759,1221 2.548,1222 2.509,1223 3.824,1224 2.498,1225 0.181,1226 0.147,1227 0.269,1228 0.167,1229 0.128,1230 4.531,1231 0.165,1232 3.674,1233 0.046,1234 6.729,1235 0.438,1236 4.184,1237 0.127,1238 3.188,1239 4.117,1240 1.151,1241 10.958,1242 3.173,1243 1.929,1244 1.913,1245 2.02,1246 2.013,1247 1.126,1248 2.014,1249 1.868,1250 1.845,1251 1.975,1252 1.949,1253 1.068,1254 1.96,1255 1.571,1256 1.536,1257 1.798,1258 1.75,1259 0.816,1260 1.761,1261 1.517,1262 1.482,1263 1.624,1264 1.682,1265 0.68,1266 1.665,1267 1.101,1268 1.074,1269 1.257,1270 1.367,1271 0.261,1272 1.331,1273 0.915,1274 0.873,1275 1.216,1276 1.165,1277 0.203,1278 1.181,1279 0.903,1280 0.852,1281 1.116,1282 1.071,1283 0.162,1284 1.084,1285 0.781,1286 0.724,1287 1.064,1288 0.977,1289 0.096,1290 1.011,1291 3.932,1293 5.231,1294 2.398,1295 6.73,1296 4.844,1297 8.32,1298 7.018,1299 9.96,1307 0.37,1309 2.748,1310 5.423,1318 25.853,1319 55.352,1320 126.402,1321 164.666,1322 188.666,1323 195.421,1324 195.421,1325 42.223,1326 6.925,1327 59.16,1328 59.16,1329 17,1330 12.312,1331 4.087,1332 3.459,1333 36.858,1334 79,1335 93,1336 0.23,1337 160.354,1338 289.35,1339 383.023,1340 8924,1342 16.234,1343 0.706,1344 0.54,1345 16.234,1346 12.412,1347 11.186,1348 0.447,1349 0.288,1350 7.116,1351 10.854,1352 6.962,1353 5.792,1354 11.186,1355 7.194,1356 9.733,1357 0.286,1358 0.149,1359 9.733,1360 5.049,1361 8.161,1362 0.181,1363 0.077,1364 8.161,1365 3.472,1366 6.8,1367 0.115,1368 0.041,1369 6.8,1370 2.391,1371 5.629,1372 0.078,1373 0.022,1374 5.629,1375 1.575,1376 0.359,1377 69.586,1378 0.245,1379 22.564,1380 0.637,1381 118,1382 371.539,1383 127.915,1384 358.271,1385 483.62,1386 334,1387 138,1388 347.981,1389 147.474,1390 353.299,1391 516.08,1392 333,1393 4.303}
{0 CHEMBL1375338,1 2.133,2 7.476,3 3.622,4 13.115,5 67.005,6 11.044,7 0.545,8 3.526,9 3.586,10 3.559,11 3.118,12 4.863,13 3.127,14 4.082,15 4.178,16 3.938,17 3.401,18 6.152,19 3.467,20 4.233,21 4.372,22 3.859,23 3.438,24 6.003,25 3.489,26 4.128,27 4.285,28 3.749,29 3.384,30 5.656,31 3.417,32 4.096,33 4.21,34 3.989,35 3.379,36 5.72,37 3.433,38 4.235,39 4.339,40 3.963,41 3.275,42 6.496,43 3.384,44 4.196,45 4.394,46 3.398,47 2.957,48 5.944,49 3.06,50 3.684,51 3.902,52 2.946,53 2.326,54 5.333,55 2.449,56 0.315,57 0.765,58 2.621,59 3.288,60 74.529,61 2.213,62 1.017,63 1.434,64 10.135,65 5.03,66 197.108,67 3.858,68 0.986,69 1.178,70 7.634,71 4.916,72 149.256,73 3.841,74 0.91,75 1.152,76 7.624,77 5.007,78 156.068,79 3.511,80 0.693,81 1.263,82 10.395,83 5.713,84 146.721,85 4.159,86 1.349,87 1.255,88 9.394,89 5.814,90 265.494,91 4.031,92 1.532,93 1.056,94 17.076,95 5.884,96 277.16,97 3.438,98 0.867,99 0.61,100 11.034,101 3.447,102 168.582,103 2.666,104 54,105 34,106 0.406,107 0.684,108 0.748,109 0.798,110 0.798,111 0.798,112 3.104,113 1.007,114 -4.25,115 -4.19,116 -3.95,119 41.4,124 1,132 1,141 5,142 1,143 1,145 2,148 1,171 4,173 2,174 3,182 5,185 4,186 2,194 4,199 3,207 2,213 6,226 6,239 4,274 529,275 12.753,276 12.753,277 12.753,278 12.753,279 12.753,280 11.081,281 9.235,282 7.1,283 13.421,284 10.853,285 10.853,286 10.853,287 10.853,288 10.853,289 8.226,290 8.006,291 3.406,292 12.098,293 2.725,294 1.267,295 0.935,296 0.673,297 0.673,298 0.673,299 3.748,305 1,306 1,307 315,308 3.808,312 139.065,319 1.215,320 57.111,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 51,332 157,333 4.824,334 5.181,335 7.186,336 4.264,337 3.404,338 4.682,339 3.825,340 11.983,341 2.967,342 4.439,343 4.459,344 7.052,345 4.065,346 3.23,347 3.958,348 2.95,349 11.446,350 2.695,351 4.162,352 2.981,353 6.142,354 3.786,355 2.818,356 3.607,358 9.064,359 2.663,360 3.706,361 2.795,362 5.075,363 3.246,364 2.313,365 3.102,367 6.201,368 2.134,369 3.265,370 2.509,371 4.838,372 2.742,373 1.838,374 2.524,376 5.456,377 1.635,378 2.746,379 1.937,380 4.377,381 2.197,382 1.285,383 1.832,385 3.92,386 1.165,387 2.664,388 1.396,389 4.183,390 2.152,391 1.226,392 1.725,394 3.553,395 1.113,396 2.5,397 1,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 1.179,406 0.683,407 2.861,408 0.768,409 -0.15,410 -0.189,412 -0.341,413 -0.133,414 1,415 0.51,416 2.82,417 0.271,418 -0.644,419 -0.859,421 -2.059,422 -0.575,423 0.789,424 0.51,425 2.616,426 0.209,427 -0.705,428 -0.938,430 -2.088,431 -0.635,432 0.707,433 0.343,434 2,436 -1,437 -1,439 -3,440 -0.7,441 0.5,442 -0.123,443 2,445 -1,446 -1,448 -3,449 -0.7,450 0.301,451 -0.434,452 2,453 -0.202,454 -1,455 -1.22,457 -3,458 -0.784,460 -0.722,461 2,462 -0.3,463 -1,464 -1.5,466 -3,467 -1,468 9.443,469 0.45,470 1.015,471 0.048,472 28.5,473 1.357,474 15,475 0.714,476 13.5,477 0.643,478 14.021,479 0.668,480 24.157,481 0.833,482 23.855,483 1.136,484 5.711,485 0.272,486 3.859,487 0.184,488 0.245,489 0.141,490 0.265,491 3,492 1,493 0.551,494 0.942,495 0.739,496 1.221,497 0.675,498 0.915,499 0.504,500 0.813,501 0.901,502 1.183,503 0.487,504 0.937,505 0.803,506 0.728,507 0.798,508 0.698,509 0.842,510 0.935,511 1.044,512 0.948,513 0.974,514 0.812,515 0.964,516 0.927,517 0.7,518 1.003,519 0.8,520 1.35,521 0.847,522 1.047,523 0.872,524 1.228,525 0.985,526 1.213,527 0.787,528 1.195,529 1.983,530 1.299,531 1.711,532 0.94,533 1.876,534 1.11,535 1.59,536 1.156,537 1.137,538 0.899,539 1.701,540 1.042,541 8,543 3.333,544 1.438,545 1.471,546 1.792,547 0.527,548 0.273,549 0.291,551 3442,552 19282,553 1.868,554 27.6,556 8,564 1.64,565 1.658,566 2.833,567 -0.563,569 1,571 1,573 61.862,574 2.133,575 3.591,576 3.923,577 4.185,578 4.185,579 4.185,580 2.218,581 3.046,582 4.365,583 3.017,584 633.618,585 7.519,586 6646.4,588 1,589 1,590 1,591 140.881,592 1.873,593 4.237,594 0.364,596 0.098,597 0.045,598 0.053,599 0.058,600 0.017,601 0.016,602 0.032,604 0.682,605 0.33,606 1,607 1.061,608 92.69,609 0.012,610 -0.059,611 0.137,612 -0.068,613 -0.107,614 -0.002,615 0.31,616 0.142,617 0.001,618 -0.14,619 0.335,620 -0.04,621 -0.035,622 0.041,623 -0.07,624 0.089,625 -0.072,626 -0.051,627 -0.251,628 -0.058,629 -0.132,630 0.082,631 -0.2,632 0.021,633 0.065,634 -0.128,635 0.243,636 -0.262,637 -0.071,638 -0.063,639 0.204,640 -0.218,641 -0.045,642 -0.238,643 0.329,644 -0.303,645 -0.657,646 -0.124,647 -0.56,648 0.046,649 -0.563,650 -0.072,651 -0.351,652 -0.192,653 0.045,654 -0.004,655 -0.47,656 0.116,657 6.072,658 4.831,659 0.571,660 14.58,661 1.083,662 1.164,663 3.017,664 9.1,665 0.694,666 3.135,667 3.555,668 3.664,669 3.829,670 4.174,671 4.263,672 4.234,673 4.19,674 4.111,675 3.807,676 4.721,677 0.718,678 320.29,679 3.135,680 4.727,681 5.549,682 6.457,683 7.314,684 8.217,685 9.088,686 9.989,687 10.866,688 11.767,689 6.9,699 2,707 5,708 2,712 5,714 12,732 1,733 29,735 14,736 1,737 22,739 30,740 12,741 10,742 2,743 4,747 2,748 2,753 1,759 1,762 10,763 2,766 2,769 1,771 2,779 1,780 4,782 8,783 8,785 9,786 1,791 2,796 1,797 2,810 1,816 2,845 2,848 1,850 1,852 4,854 21,857 1,869 1,877 4,878 6.9,881 2,885 12.667,886 5.638,887 4.278,888 1.454,890 2.389,891 1.376,892 0.977,893 3.731,894 8.745,895 3.434,896 4.127,897 4.575,898 5.107,899 5.749,900 6.047,901 6.403,902 6.634,903 6.907,904 7.029,905 0.8,906 32,907 8.763,909 4.839,910 9.048,911 13.379,913 10.928,915 3.548,916 74.5,920 94.169,921 86.89,922 33.571,924 44.313,925 59.84,926 6.046,927 80.844,928 138.482,929 93.412,930 7.19,932 53.427,933 77.884,934 62.7,935 15.653,936 94.169,937 7.76,938 94.169,939 114.415,940 104.153,941 6.046,943 109.129,944 89.193,947 13.966,948 66.878,949 39.617,951 154.009,952 77.884,953 86.89,955 6.046,956 101.928,957 18.513,958 54.572,960 137.724,961 94.169,962 137.724,963 86.89,965 0.62,966 0.315,967 0.136,968 0.095,969 17,970 9,971 0.067,972 2,974 1,975 3.052,976 160.565,978 12,979 81.484,984 1,985 15.403,986 5.087,987 3.561,989 137.724,990 5.075,991 6.617,995 -2.993,998 318.784,999 30,1002 -4.021,1004 22.795,1011 31.403,1012 33.77,1013 0.439,1014 0.739,1015 0.808,1016 0.862,1017 0.862,1018 0.862,1019 4.718,1020 1,1021 5.673,1022 3.553,1023 4.234,1024 4.812,1025 3.644,1026 6.581,1027 4.027,1028 6.032,1029 -0.15,1030 7.323,1031 2.275,1032 4.369,1033 5.103,1034 3.903,1035 8.015,1036 3.923,1037 7.429,1038 -0.644,1039 9.09,1040 -0.341,1041 6.052,1042 7.191,1043 5.933,1044 10.936,1045 5.598,1046 8.86,1047 -0.705,1048 10.922,1049 -2.059,1050 6.858,1051 8.173,1052 6.69,1053 13.047,1054 6.149,1055 10.319,1056 -1,1057 12.794,1058 -2.088,1059 8.199,1060 9.892,1061 8.407,1062 15.644,1063 7.452,1064 11.796,1065 -1,1066 14.69,1067 -3,1068 9.244,1069 11.163,1070 9.388,1071 17.979,1072 8.271,1073 13.288,1074 -1,1075 16.604,1076 -3,1077 10.483,1078 12.754,1079 10.957,1080 20.481,1081 9.429,1082 3.404,1083 -1,1084 18.529,1085 -3,1086 11.62,1087 14.158,1088 12.074,1089 22.896,1090 10.369,1091 3.23,1092 11.983,1093 20.463,1094 -3,1095 12.827,1096 15.703,1097 13.555,1098 25.37,1099 11.466,1100 2.818,1101 11.446,1102 22.403,1103 4.682,1104 14.001,1105 17.171,1106 14.758,1107 27.815,1108 12.465,1109 2.313,1110 9.064,1111 24.348,1112 3.958,1113 15.201,1114 18.702,1115 16.184,1116 30.282,1117 13.537,1118 1.838,1119 6.201,1120 26.297,1121 3.607,1122 16.391,1123 20.203,1124 17.441,1125 32.739,1126 14.566,1127 1.285,1128 5.456,1129 28.248,1130 3.102,1131 17.592,1132 21.733,1133 18.834,1134 35.205,1135 15.63,1136 1.226,1137 3.92,1138 30.202,1139 2.524,1140 18.79,1141 23.251,1142 20.124,1143 37.669,1144 16.675,1145 3630,1146 8716,1147 13.118,1148 20.125,1149 34.795,1150 35.554,1151 35.081,1152 34.505,1153 34.228,1154 45.858,1155 13.551,1156 107.796,1157 30.743,1158 5.512,1159 7.181,1160 6.6,1161 5.338,1162 5.404,1163 7.682,1164 6.775,1165 19.289,1166 4.967,1167 14.405,1168 1.582,1169 1.616,1170 1.595,1171 1.568,1172 1.556,1173 2.084,1174 0.616,1175 4.9,1176 1.397,1177 4.077,1178 4.074,1179 4.732,1180 4.037,1181 8.513,1182 3.963,1183 3.883,1184 3.879,1185 3.918,1186 3.841,1187 8.201,1188 3.786,1189 3.655,1190 3.664,1191 3.694,1192 3.506,1193 7.999,1194 3.499,1195 3.228,1196 3.275,1197 3.259,1198 2.926,1199 7.999,1200 2.987,1201 2.854,1202 2.925,1203 2.8,1204 2.735,1205 7.716,1206 2.715,1207 2.837,1208 2.906,1209 2.687,1210 2.588,1211 6.999,1212 2.621,1213 2.677,1214 2.748,1215 2.438,1216 2.411,1217 4.912,1218 2.404,1219 2.383,1220 2.433,1221 2.292,1222 2.08,1223 4.557,1224 2.092,1225 0.219,1226 0.235,1227 0.327,1228 0.194,1229 0.155,1230 4.824,1231 0.213,1232 5.181,1233 0.174,1234 7.186,1235 0.545,1236 4.264,1237 0.135,1238 3.404,1239 4.682,1240 3.825,1241 11.983,1242 2.967,1243 1.958,1244 1.948,1245 2.017,1246 2.064,1247 1.13,1248 2.07,1249 1.789,1250 1.804,1251 1.745,1252 1.897,1253 1.012,1254 1.928,1255 1.521,1256 1.513,1257 1.575,1258 1.692,1259 0.72,1260 1.7,1261 0.995,1262 0.962,1263 1.181,1264 1.345,1265 0.218,1266 1.243,1267 0.886,1268 0.821,1269 1.034,1270 1.062,1271 0.101,1272 1.107,1273 0.764,1274 0.685,1275 0.863,1276 1.03,1277 0.068,1278 1.052,1279 0.567,1280 0.512,1281 0.755,1282 0.881,1284 0.857,1285 0.21,1286 0.173,1287 0.381,1288 0.577,1290 0.555,1291 3.807,1293 5.198,1295 6.758,1297 8.387,1299 10.054,1301 0.705,1303 51.143,1314 -4.822,1318 20.827,1319 61.862,1320 104.152,1321 113.762,1322 121.372,1323 121.372,1324 121.372,1325 67.696,1326 6.356,1327 59.92,1328 68.3,1329 12,1330 12.293,1331 3.907,1332 3.17,1333 38.907,1334 59,1335 65,1336 0.338,1337 131.032,1338 236.17,1339 311.478,1340 3596,1341 13.8,1342 15.836,1343 0.754,1344 0.54,1345 12.716,1346 11.334,1347 9.571,1348 0.435,1349 0.336,1350 5.503,1351 8.181,1352 5.249,1353 4.3,1354 8.86,1355 7.386,1356 10.613,1357 0.312,1358 0.18,1359 9.421,1360 6.107,1361 6.92,1362 0.182,1363 0.087,1364 6.251,1365 3.314,1366 4.919,1367 0.109,1368 0.045,1369 4.884,1370 2.033,1371 4.547,1372 0.071,1373 0.025,1374 4.436,1375 1.583,1376 0.504,1377 71.299,1378 0.276,1379 20.224,1380 1.01,1381 112,1382 662.066,1383 175.083,1384 547.171,1385 685.27,1386 496,1387 128,1388 438.692,1389 188.892,1390 449.461,1391 668.8,1392 416,1393 4.657}
{0 CHEMBL1375884,1 1.965,2 11.464,3 4.251,4 18.072,5 103.981,6 9.765,7 0.6,8 3.877,9 3.955,10 3.798,11 3.53,12 5.105,13 3.495,14 4.376,15 4.486,16 4.126,17 3.87,18 5.833,19 3.842,20 4.631,21 4.773,22 4.23,23 3.965,24 6.117,25 3.917,26 4.618,27 4.8,28 4.155,29 3.886,30 6.006,31 3.826,32 4.545,33 4.688,34 4.186,35 3.823,36 5.993,37 3.781,38 4.515,39 4.665,40 4.165,41 3.769,42 6.204,43 3.758,44 4.404,45 4.533,46 3.927,47 3.725,48 5.929,49 3.678,50 4.282,51 4.444,52 3.865,53 3.655,54 5.668,55 3.589,56 0.154,57 0.687,58 6.419,59 4.15,60 26.634,61 3.857,62 0.413,63 1.087,64 13.337,65 6.676,66 67.857,67 6.847,68 0.784,69 1.315,70 18.33,71 8.375,72 102.724,73 8.265,74 0.676,75 1.25,76 25.665,77 9.433,78 88.667,79 9.496,80 0.715,81 1.096,82 24.521,83 8.447,84 114.803,85 7.666,86 0.923,87 1.062,88 26.037,89 8.107,90 153.915,91 7.397,92 0.769,93 0.939,94 18.658,95 6.486,96 131.052,97 5.358,98 0.444,99 0.93,100 17.517,101 6.278,102 47.991,103 6.25,104 37,105 43,106 0.337,107 0.651,108 0.776,109 0.856,110 0.863,111 0.863,112 3.374,113 1.015,114 -4.36,115 -4.29,116 -4.05,119 44.2,120 1,125 1,141 8,142 2,143 3,144 1,145 1,148 1,156 1,171 9,173 2,177 1,179 2,182 10,185 5,186 4,189 1,191 2,194 7,199 9,204 1,207 1,212 1,213 12,216 1,225 2,226 12,229 2,234 2,239 7,244 1,247 3,251 8,256 2,259 2,264 6,269 2,271 4,274 1236,275 18.126,276 18.126,277 18.126,278 18.126,279 18.126,280 15.443,281 19.276,282 10.501,283 18.71,284 14.783,285 14.783,286 14.783,287 14.783,288 14.783,289 10.738,290 21.007,291 5.014,292 15.858,293 3.461,294 1.631,295 0.901,296 0.436,297 0.39,298 0.39,299 4.049,302 1,305 1,306 1,307 676,308 3.808,312 305.395,319 1.855,320 50.406,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 62.333,332 321,333 4.865,334 5.263,335 7.314,336 4.261,337 3.406,338 4.719,339 3.272,340 12.543,341 2.916,342 4.306,343 3.624,344 6.398,345 3.897,346 2.946,347 3.899,348 1.058,349 9.705,350 2.771,351 4.017,352 3.06,353 5.522,354 3.596,355 2.613,356 3.626,358 7.414,359 2.561,360 3.994,361 2.927,362 5.453,363 3.544,364 2.577,365 3.603,367 7.245,368 2.466,369 3.516,370 2.864,371 4.992,372 3.085,373 2.159,374 2.816,376 5.867,377 1.972,378 3.292,379 2.572,380 4.9,381 2.92,382 1.939,383 2.556,385 5.443,386 1.896,387 3.229,388 2.385,389 4.714,390 2.761,391 1.807,392 2.466,394 4.929,395 1.681,396 3.039,397 2.009,398 4.574,399 2.435,400 1.552,401 2.225,403 4.55,404 1.318,405 2.662,406 1.433,407 3.799,408 2.182,409 1.184,410 1.736,412 2.702,413 1.179,414 2.544,415 1.233,416 3.486,417 2,418 1.032,419 1.505,421 2.593,422 1,423 2.5,424 1.043,425 3.414,426 1.981,427 1,428 1.5,430 2.275,431 0.97,432 1.407,433 1,434 3.213,435 1.035,436 0.122,437 0.147,439 0.282,440 0.103,441 1.246,442 0.771,443 2.817,444 0.848,445 -0.066,446 -0.081,448 -0.168,449 -0.052,450 1.2,451 0.401,452 2.694,453 0.662,454 -0.183,455 -0.238,457 -0.463,458 -0.151,459 1,460 0.147,461 2.26,462 0.564,463 -0.43,464 -0.532,466 -1.013,467 -0.427,468 13.533,469 0.483,470 0.93,471 0.033,472 40.75,473 1.455,474 23,475 0.821,476 17.75,477 0.634,478 20.107,479 0.718,480 29.667,481 0.69,482 32.81,483 1.172,484 8.035,485 0.287,486 5.207,487 0.186,488 0.185,489 0.062,490 0.296,492 1,493 0.523,494 1.073,495 0.671,496 1.06,497 0.602,498 0.837,499 0.601,500 1.124,501 0.786,502 1.1,503 0.603,504 0.936,505 0.933,506 1.028,507 0.929,508 0.98,509 1.016,510 1.075,511 0.91,512 0.96,513 0.94,514 1.072,515 0.867,516 0.926,517 1.11,518 0.858,519 0.886,520 1.024,521 1.338,522 0.953,523 0.989,524 0.844,525 1.113,526 0.968,527 0.973,528 0.738,529 1.475,530 0.865,531 1.444,532 0.859,533 1.41,534 1.036,535 0.931,536 0.876,537 1.26,538 1.038,539 0.716,540 0.99,541 8,542 0.153,543 3.778,544 2.313,545 1.938,546 1.34,547 0.569,548 0.55,549 0.353,550 0.254,551 9456,552 34950,553 1.984,554 34.9,555 3,556 10,558 1,559 1,564 1.711,565 1.816,566 3.476,567 -0.252,569 1,573 84.506,574 1.965,575 3.795,576 4.525,577 4.99,578 5.037,579 5.037,580 2.955,581 3.7,582 4.777,583 3.637,584 1374.86,585 8.313,586 18173.2,588 1,590 1,591 233.329,592 1.678,593 4.706,594 0.267,595 0.008,596 0.088,597 0.054,598 0.05,599 0.035,600 0.014,601 0.017,602 0.012,603 0.01,604 0.555,605 0.17,606 1,607 0.648,608 140.829,609 0.021,610 -0.074,611 0.108,612 -0.04,613 -0.097,614 0.024,615 0.12,616 -0.157,617 0.027,618 -0.126,619 0.113,620 -0.044,621 0.041,622 -0.029,623 -0.048,624 -0.06,625 -0.047,626 -0.177,627 -0.016,628 -0.033,629 0.1,630 -0.016,631 0.034,632 0.094,633 -0.072,634 -0.045,635 0.116,636 0.004,637 -0.17,638 -0.001,639 0.134,640 0.055,641 0.05,642 0.082,643 0.204,644 0.211,645 -0.326,646 0.019,647 -0.357,648 0.045,649 -0.244,650 -0.164,651 -0.105,652 0.077,653 -0.136,654 -0.034,655 0.007,656 -0.029,657 4.808,658 5.653,659 0.643,660 27.582,661 1.032,662 1.122,663 3.128,664 9.784,665 0.725,666 3.434,667 3.784,668 3.97,669 4.174,670 4.382,671 4.407,672 4.369,673 4.466,674 4.454,675 4.522,676 6.683,677 0.705,678 419.89,679 3.434,680 4.99,681 5.82,682 6.701,683 7.549,684 8.432,685 9.288,686 10.173,687 11.033,688 11.92,689 7,696 1,699 2,707 9,708 2,712 7,714 18,720 1,732 2,733 43,735 21,736 2,737 30,739 45,740 19,741 16,742 4,743 8,744 1,747 3,748 3,749 1,753 1,762 17,763 2,766 3,769 1,771 3,775 1,779 1,780 1,782 15,783 7,784 1,785 9,786 2,791 3,796 1,797 3,810 1,816 3,845 3,848 1,850 1,851 1,852 1,854 28,857 1,862 1,864 1,877 2,878 7,881 3,885 15.417,886 8.102,887 6.014,888 2.33,890 3.067,891 1.431,892 0.992,893 5.852,894 10.178,895 3.761,896 4.413,897 4.888,898 5.409,899 5.925,900 6.075,901 6.216,902 6.503,903 6.661,904 7.052,905 0.875,906 43,907 10.685,909 4.988,910 8.263,911 18.897,913 15.439,915 2.763,916 77.361,919 1,920 164.795,921 130.532,922 51.582,923 39.149,924 69.458,925 14.96,926 6.046,927 124.486,928 273.402,929 66.542,930 8.825,931 18.91,932 81.856,933 119.505,934 33.554,935 15.653,936 153.024,937 39.149,938 164.795,939 176.068,940 84.418,941 45.195,943 179.756,944 69.458,947 40.233,948 102.264,949 78.766,951 179.756,952 121.04,953 169.681,955 6.046,956 164.795,957 30.804,958 93.683,959 18.011,960 157.138,961 164.795,962 136,963 169.681,965 0.595,966 0.331,967 0.165,968 0.092,969 20,970 10,971 0.111,972 5,974 1,975 3.869,976 236.248,978 18,979 126.606,984 1,985 20.094,986 8.155,987 5.004,989 136,990 13.173,991 7.629,995 0.466,997 18.011,998 470.476,999 42,1002 -3.892,1004 37.734,1008 -0.731,1011 44.385,1012 48.233,1013 0.362,1014 0.699,1015 0.834,1016 0.92,1017 0.928,1018 0.928,1019 5.001,1020 1.552,1021 5.855,1022 4.929,1023 4.466,1024 5.1,1025 3.205,1026 6.688,1027 4.327,1028 6.261,1029 1.184,1030 7.442,1031 4.55,1032 4.29,1033 5.19,1035 7.861,1036 3.999,1037 7.614,1038 1.032,1039 9.14,1040 2.702,1041 6.138,1042 7.41,1043 5.45,1044 10.871,1045 5.828,1046 9.006,1047 1,1048 10.907,1049 2.593,1050 6.723,1051 8.266,1053 12.884,1054 6.219,1055 10.43,1056 0.122,1057 12.721,1058 2.275,1059 8.131,1060 10.045,1061 7.808,1062 15.525,1063 7.594,1064 11.879,1065 -0.066,1066 14.571,1067 0.282,1068 9.054,1069 11.25,1071 17.861,1072 8.311,1073 13.348,1074 -0.183,1075 16.448,1076 -0.168,1077 10.311,1078 12.869,1079 10.177,1080 20.406,1081 9.498,1082 3.406,1083 -0.43,1084 18.347,1085 -0.463,1086 11.388,1087 14.243,1089 22.86,1090 10.375,1091 2.946,1092 12.543,1093 20.263,1094 -1.013,1095 12.597,1096 15.802,1097 12.548,1098 25.383,1099 11.479,1100 2.613,1101 9.705,1102 22.193,1103 4.719,1104 13.744,1105 17.26,1107 27.88,1108 12.436,1109 2.577,1110 7.414,1111 24.135,1112 3.899,1113 14.943,1114 18.8,1115 14.919,1116 30.401,1117 13.502,1118 2.159,1119 7.245,1120 26.085,1121 3.626,1122 16.123,1123 20.3,1125 32.914,1126 14.501,1127 1.939,1128 5.867,1129 28.042,1130 3.603,1131 17.324,1132 21.838,1133 17.29,1134 35.437,1135 15.553,1136 1.807,1137 5.443,1138 30.004,1139 2.816,1140 18.521,1141 23.36,1143 37.959,1144 16.573,1145 9270,1146 18041,1147 19.186,1148 31.154,1149 45.142,1150 48.639,1151 46.762,1152 44.911,1153 44.674,1154 61.595,1155 8.661,1156 131.094,1157 41.664,1158 5.715,1159 7.263,1160 6.869,1161 5.387,1162 5.406,1163 7.719,1164 6.545,1165 19.974,1166 4.916,1167 16.53,1168 1.505,1169 1.621,1170 1.559,1171 1.497,1172 1.489,1173 2.053,1174 0.289,1175 4.37,1176 1.389,1177 4.096,1178 4.083,1179 4.742,1180 4.078,1181 8.201,1182 3.99,1183 3.917,1184 3.947,1185 3.969,1186 3.83,1187 7.714,1188 3.833,1189 3.864,1190 3.887,1191 3.846,1192 3.8,1193 7.429,1194 3.777,1195 3.649,1196 3.628,1197 3.813,1198 3.569,1199 6.999,1200 3.527,1201 3.26,1202 3.307,1203 3.318,1204 3.035,1205 5.022,1206 3.049,1207 3.162,1208 3.235,1209 3.071,1210 2.989,1211 4.731,1212 2.992,1213 2.903,1214 2.95,1215 2.976,1216 2.788,1217 4.66,1218 2.768,1219 2.854,1220 2.925,1221 2.803,1222 2.735,1223 4.438,1224 2.715,1225 0.162,1226 0.175,1227 0.244,1228 0.142,1229 0.114,1230 4.865,1231 0.157,1232 5.263,1233 0.109,1234 7.314,1235 0.418,1236 4.261,1237 0.097,1238 3.406,1239 4.719,1240 3.272,1241 12.543,1242 2.916,1243 1.978,1244 1.979,1245 2.055,1246 2.057,1247 1.276,1248 2.086,1249 1.886,1250 1.858,1251 1.983,1252 2,1253 1.05,1254 1.997,1255 1.803,1256 1.794,1257 1.761,1258 1.921,1259 0.988,1260 1.927,1261 1.519,1262 1.536,1263 1.589,1264 1.642,1265 0.746,1266 1.675,1267 1.193,1268 1.126,1269 1.407,1270 1.425,1271 0.561,1272 1.446,1273 1.107,1274 1.062,1275 1.248,1276 1.365,1277 0.22,1278 1.355,1279 0.886,1280 0.846,1281 1.181,1282 1.062,1283 0.218,1284 1.107,1285 0.883,1286 0.821,1287 1.003,1288 1.052,1289 0.162,1290 1.086,1291 4.111,1293 5.451,1295 6.974,1297 8.578,1299 10.222,1301 1.854,1302 5.973,1303 12.978,1307 -0.31,1309 2.487,1318 30.294,1319 84.506,1320 163.19,1321 194.574,1322 214.574,1323 216.574,1324 216.574,1325 77.257,1326 7.111,1327 89.02,1328 97.4,1329 18,1330 12.456,1331 4.459,1332 3.7,1333 49.656,1334 112,1335 120,1336 0.217,1337 194.604,1338 340.24,1339 466.595,1340 11387,1341 4.7,1342 20.311,1343 0.725,1344 0.581,1345 20.191,1346 16.259,1347 13.242,1348 0.441,1349 0.338,1350 8.183,1351 11.725,1352 7.792,1353 6.468,1354 13.958,1355 10.152,1356 12.821,1357 0.298,1358 0.194,1359 13.87,1360 8.349,1361 9.794,1362 0.188,1363 0.106,1364 10.833,1365 5.5,1366 7.781,1367 0.122,1368 0.06,1369 8.967,1370 3.837,1371 6.052,1372 0.077,1373 0.034,1374 7.018,1375 2.698,1376 0.341,1377 94.553,1378 0.228,137