@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3975

@attribute molecule_id {CHEMBL1096789,CHEMBL1097226,CHEMBL1097227,CHEMBL1172935,CHEMBL1172936,CHEMBL1173125,CHEMBL1173126,CHEMBL1173571,CHEMBL1173572,CHEMBL1173636,CHEMBL1649590,CHEMBL1649977,CHEMBL1649978,CHEMBL1649979,CHEMBL1649980,CHEMBL1649981,CHEMBL1649982,CHEMBL1649983,CHEMBL1649984,CHEMBL1649985,CHEMBL1649986,CHEMBL1649987,CHEMBL1649988,CHEMBL1649989,CHEMBL1649990,CHEMBL1649991,CHEMBL1649992,CHEMBL1649993,CHEMBL1649994,CHEMBL1649995,CHEMBL1649996,CHEMBL1649997,CHEMBL1650178,CHEMBL1650179,CHEMBL1650180,CHEMBL1650181,CHEMBL1650182,CHEMBL1650183,CHEMBL1650184,CHEMBL1650185,CHEMBL1650186,CHEMBL1650187,CHEMBL1650188,CHEMBL1650189,CHEMBL1650190,CHEMBL1650191,CHEMBL1650192,CHEMBL1650193,CHEMBL1650194,CHEMBL1650195,CHEMBL1650196,CHEMBL1650197,CHEMBL1650198,CHEMBL1650199,CHEMBL1650200,CHEMBL1650201,CHEMBL1650202,CHEMBL1650203,CHEMBL1650204,CHEMBL1650205,CHEMBL1650206,CHEMBL1650207,CHEMBL1650208,CHEMBL1650209,CHEMBL1650210,CHEMBL1650211,CHEMBL1650212,CHEMBL1650213,CHEMBL1650214,CHEMBL1650215,CHEMBL1650216,CHEMBL1650217,CHEMBL1650218,CHEMBL1650219,CHEMBL1650220,CHEMBL1650221,CHEMBL1650222,CHEMBL1738935,CHEMBL1778441,CHEMBL1778442,CHEMBL1778443,CHEMBL1778444,CHEMBL1778445,CHEMBL1778446,CHEMBL1778447,CHEMBL1778448,CHEMBL1778449,CHEMBL1778450,CHEMBL1778451,CHEMBL1778452,CHEMBL1778453,CHEMBL1778454,CHEMBL1778555,CHEMBL1778556,CHEMBL1778557,CHEMBL1778558,CHEMBL1778559,CHEMBL1778560,CHEMBL203011,CHEMBL203073,CHEMBL203397,CHEMBL203398,CHEMBL203628,CHEMBL204842,CHEMBL204894,CHEMBL204931,CHEMBL205039,CHEMBL205184,CHEMBL205185,CHEMBL205295,CHEMBL205376,CHEMBL205392,CHEMBL205624,CHEMBL205656,CHEMBL205712,CHEMBL205792,CHEMBL206012,CHEMBL206824,CHEMBL207095,CHEMBL207096,CHEMBL207851,CHEMBL207984,CHEMBL259771,CHEMBL29197,CHEMBL294126,CHEMBL294769,CHEMBL301018,CHEMBL303292,CHEMBL303318,CHEMBL303996,CHEMBL304929,CHEMBL306005,CHEMBL307526,CHEMBL35820,CHEMBL377365,CHEMBL379604,CHEMBL380170,CHEMBL380326,CHEMBL380739,CHEMBL381082,CHEMBL381535,CHEMBL381536,CHEMBL381567,CHEMBL381594,CHEMBL381757,CHEMBL381803,CHEMBL381827,CHEMBL382008,CHEMBL382691,CHEMBL382856,CHEMBL382861,CHEMBL433251,CHEMBL447259,CHEMBL455930,CHEMBL456154,CHEMBL456155,CHEMBL456319,CHEMBL456320,CHEMBL456321,CHEMBL456543,CHEMBL456563,CHEMBL456564,CHEMBL456977,CHEMBL456978,CHEMBL457189,CHEMBL457400,CHEMBL457849,CHEMBL458055,CHEMBL458056,CHEMBL458276,CHEMBL459134,CHEMBL459135,CHEMBL462978,CHEMBL462979,CHEMBL463183,CHEMBL475304,CHEMBL475305,CHEMBL482561,CHEMBL482734,CHEMBL482735,CHEMBL482951,CHEMBL482992,CHEMBL483163,CHEMBL483354,CHEMBL483356,CHEMBL483555,CHEMBL483556,CHEMBL483849,CHEMBL483999,CHEMBL484135,CHEMBL484136,CHEMBL484331,CHEMBL484332,CHEMBL484592,CHEMBL484782,CHEMBL484923,CHEMBL485129,CHEMBL485130,CHEMBL485144,CHEMBL485361,CHEMBL495498,CHEMBL496654,CHEMBL497689,CHEMBL498538,CHEMBL501816,CHEMBL504104,CHEMBL507312,CHEMBL509861,CHEMBL510249,CHEMBL514660,CHEMBL514722,CHEMBL514803,CHEMBL515042,CHEMBL515243,CHEMBL515436,CHEMBL515524,CHEMBL516135,CHEMBL519202,CHEMBL519323,CHEMBL519361,CHEMBL519477,CHEMBL519503,CHEMBL519641,CHEMBL519692,CHEMBL519845,CHEMBL519996,CHEMBL520009,CHEMBL520175,CHEMBL520176,CHEMBL520307,CHEMBL520490,CHEMBL520998,CHEMBL521165,CHEMBL565407,CHEMBL565809,CHEMBL566669,CHEMBL567030,CHEMBL567501,CHEMBL567512,CHEMBL567704,CHEMBL567705,CHEMBL568552,CHEMBL568686,CHEMBL570088,CHEMBL570089,CHEMBL570325,CHEMBL570326,CHEMBL570790,CHEMBL570796,CHEMBL570964,CHEMBL570965,CHEMBL570991,CHEMBL571017,CHEMBL571018,CHEMBL571182,CHEMBL571183,CHEMBL571207,CHEMBL571426,CHEMBL571435,CHEMBL571654,CHEMBL571839,CHEMBL571840,CHEMBL571844,CHEMBL571847,CHEMBL571872,CHEMBL571879,CHEMBL572055,CHEMBL572057,CHEMBL572062,CHEMBL572202,CHEMBL572208,CHEMBL572295,CHEMBL573056,CHEMBL576045,CHEMBL576114,CHEMBL576128,CHEMBL576291,CHEMBL577114,CHEMBL577117,CHEMBL577270,CHEMBL578134,CHEMBL578622,CHEMBL578624,CHEMBL579216,CHEMBL583038,CHEMBL583139,CHEMBL583346,CHEMBL583908,CHEMBL584097,CHEMBL584749,CHEMBL585541,CHEMBL585620,CHEMBL585727,CHEMBL585915,CHEMBL585945,CHEMBL585946,CHEMBL585947,CHEMBL585961,CHEMBL589137,CHEMBL589266,CHEMBL589861,CHEMBL589862,CHEMBL589863,CHEMBL589865,CHEMBL590111,CHEMBL590113,CHEMBL590359,CHEMBL590360,CHEMBL590361,CHEMBL590362,CHEMBL590363,CHEMBL590597,CHEMBL590839,CHEMBL590840,CHEMBL591083,CHEMBL591316,CHEMBL591317,CHEMBL591318,CHEMBL592390,CHEMBL592391,CHEMBL592639,CHEMBL593282,CHEMBL593391,CHEMBL594444,CHEMBL594445,CHEMBL594668,CHEMBL595067,CHEMBL595149,CHEMBL595150,CHEMBL595304,CHEMBL595529,CHEMBL596870,CHEMBL597068,CHEMBL597282,CHEMBL597483,CHEMBL597484,CHEMBL597691,CHEMBL597692,CHEMBL597891,CHEMBL600653,CHEMBL600654,CHEMBL601267,CHEMBL601691,CHEMBL602789,CHEMBL603409,CHEMBL603871,CHEMBL605615,CHEMBL605956,CHEMBL606385,CHEMBL607540,CHEMBL608398,CHEMBL609616,CHEMBL610462,CHEMBL611631,CHEMBL63152,CHEMBL63203,CHEMBL63244,CHEMBL63450,CHEMBL63451,CHEMBL63469,CHEMBL63605,CHEMBL63676,CHEMBL63786,CHEMBL63787,CHEMBL63906,CHEMBL63917,CHEMBL64950,CHEMBL65038,CHEMBL65055,CHEMBL65250,CHEMBL65275,CHEMBL65704,CHEMBL66031,CHEMBL66409,CHEMBL67008,CHEMBL67906,CHEMBL68020,CHEMBL752,CHEMBL7917}
@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.013 numeric
@attribute C.014 numeric
@attribute C.015 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.018 numeric
@attribute C.021 numeric
@attribute C.022 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.030 numeric
@attribute C.031 numeric
@attribute C.032 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute C.044 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AN numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_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_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DN numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_04_PP numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AN numeric
@attribute CATS2D_06_AP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DN numeric
@attribute CATS2D_06_DP numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_06_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_07_PN 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_DN numeric
@attribute CATS2D_09_DP numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CATS2D_09_PL numeric
@attribute CATS2D_09_PN 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.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.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.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.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.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.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.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 F.085 numeric
@attribute GATS1e numeric
@attribute GATS1i numeric
@attribute GATS1m numeric
@attribute GATS1p numeric
@attribute GATS1s numeric
@attribute GATS1v numeric
@attribute GATS2e numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS2v numeric
@attribute GATS3e numeric
@attribute GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS3s numeric
@attribute GATS3v numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute GATS4m numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5i numeric
@attribute GATS5m numeric
@attribute GATS5p numeric
@attribute GATS5s numeric
@attribute GATS5v numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS6m numeric
@attribute GATS6p numeric
@attribute GATS6s numeric
@attribute GATS6v numeric
@attribute GATS7e numeric
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@attribute GGI5 numeric
@attribute GGI6 numeric
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@attribute HNar numeric
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@attribute Hypertens.80 numeric
@attribute Hypnotic.50 numeric
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@attribute I.100 numeric
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@attribute IC4 numeric
@attribute IC5 numeric
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@attribute IDE numeric
@attribute IDET numeric
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@attribute IDMT numeric
@attribute Infective.50 numeric
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@attribute Inflammat.50 numeric
@attribute Inflammat.80 numeric
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@attribute Psychotic.50 numeric
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@attribute P_VSA_i_2 numeric
@attribute P_VSA_i_3 numeric
@attribute P_VSA_i_4 numeric
@attribute P_VSA_LogP_1 numeric
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@attribute P_VSA_LogP_4 numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_LogP_6 numeric
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@attribute P_VSA_LogP_8 numeric
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@attribute P_VSA_m_3 numeric
@attribute P_VSA_m_4 numeric
@attribute P_VSA_m_5 numeric
@attribute P_VSA_MR_1 numeric
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@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
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@attribute P_VSA_p_1 numeric
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@attribute S1K numeric
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@attribute SaaaC numeric
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@attribute SM03_AEA.ri. numeric
@attribute SM03_EA numeric
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@attribute SM03_EA.ri. numeric
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@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 1.737,2 10.559,3 3.26,4 10.629,5 131.62,6 7.722,7 0.306,8 4.264,9 4.376,10 3.997,11 3.827,12 5.315,13 3.744,14 4.847,15 5.025,16 4.337,17 4.197,18 5.969,19 4.102,20 5.051,21 5.23,22 4.421,23 4.336,24 6.217,25 4.225,26 5.14,27 5.309,28 4.48,29 4.406,30 6.282,31 4.294,32 5.287,33 5.49,34 4.51,35 4.436,36 6.549,37 4.304,38 5.299,39 5.534,40 4.416,41 4.456,42 6.325,43 4.266,44 5.223,45 5.446,46 4.437,47 4.445,48 6.325,49 4.279,50 5.293,51 5.501,52 4.371,53 4.365,54 6.528,55 4.288,56 0.126,57 0.96,58 17.084,59 7.099,60 17.134,61 8.321,62 0.708,63 1.512,64 36.247,65 12.7,66 68.717,67 14.183,68 1.011,69 1.744,70 42.519,71 14.622,72 92.466,73 16.085,74 0.906,75 1.881,76 49.58,77 16.914,78 116.214,79 17.651,80 1.38,81 2.059,82 52.825,83 17.396,84 184.083,85 20.283,86 1.378,87 2.095,88 61.902,89 19.411,90 130.896,91 21.569,92 0.727,93 2.069,94 62.128,95 20.628,96 91.602,97 21.304,98 1.456,99 2.006,100 54.054,101 15.437,102 178.558,103 19.161,104 105,105 52,106 0.278,107 0.559,108 0.742,109 0.776,110 0.79,111 0.79,112 3.561,113 1.17,114 -2.82,115 -2.83,116 -2.74,119 34.8,120 6,121 1,125 2,126 1,127 2,139 1,140 4,141 1,143 1,149 1,152 2,154 1,164 7,166 2,167 6,170 2,171 1,172 2,175 11,178 1,179 8,182 6,187 10,190 1,191 9,196 2,199 4,203 4,204 8,207 4,209 6,212 5,215 4,216 3,221 4,224 2,228 1,229 9,232 2,234 8,237 4,241 4,242 12,247 4,250 4,255 10,263 8,267 2238,268 22.206,269 22.206,270 22.206,271 22.206,272 22.206,273 20.372,274 29.873,275 12.893,276 23.035,277 17.605,278 17.605,279 17.605,280 17.605,281 17.605,282 14.549,283 39.583,284 5.886,285 18.681,286 4.308,287 2.547,288 1.402,289 1.19,290 1.099,291 1.099,292 4.232,298 1,299 745,300 5.431,303 143.613,304 91.185,306 116.03,307 132.465,310 182.023,311 1.493,312 50.346,315 0.75,316 0.5,317 0.67,318 0.9,319 1,320 0.5,321 0.5,322 0.69,323 75.167,324 359,325 4.704,326 3.828,327 7.055,328 4.346,329 3.368,330 4.446,331 2.471,332 12.144,333 3.295,334 4.545,335 3.797,336 7.019,337 4.294,338 3.308,339 3.871,340 2.471,341 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0.631,446 1.567,447 0.847,448 3.21,449 1.308,450 0.37,451 0.419,452 0.913,453 0.343,454 16.533,455 0.486,456 1.076,457 0.032,458 36.75,459 1.081,460 15,461 0.441,462 21.75,463 0.64,464 41.027,465 1.207,466 39.267,467 0.595,468 31.32,469 0.921,470 6.765,471 0.199,472 9.331,473 0.274,474 0.242,475 0.06,476 0.333,480 0.836,481 1.439,482 0.823,483 1.33,484 0.659,485 1.077,486 0.828,487 1.091,488 0.965,489 1.172,490 0.601,491 0.865,492 1.19,493 0.892,494 1.06,495 0.953,496 1.126,497 0.899,498 1.521,499 1.229,500 1.209,501 1.41,502 1.614,503 1.126,504 1.103,505 1.031,506 0.937,507 0.912,508 1.142,509 1.018,510 1.122,511 0.922,512 1.165,513 1.047,514 1.008,515 0.919,516 0.911,517 1.218,518 1.274,519 1.491,520 1.032,521 1.054,522 1.358,523 0.9,524 0.986,525 0.836,526 1.485,527 0.923,528 8.5,529 0.394,530 5.111,531 3.382,532 2.676,533 1.285,534 1.061,535 0.818,536 0.604,537 0.602,538 14139,539 41584,540 1.937,541 48.5,542 6,543 7,544 2,545 1,546 2,547 2,548 12,550 1.769,551 1.751,552 3.363,553 0.264,560 114.623,561 1.737,562 3.497,563 4.642,564 4.855,565 4.945,566 4.945,567 2.7,568 4.44,569 5.06,570 3.578,571 2007.35,572 8.923,573 30767.7,578 398.93,579 1.714,580 4.971,581 0.236,582 0.008,583 0.098,584 0.061,585 0.049,586 0.024,587 0.022,588 0.015,589 0.011,590 0.012,591 0.536,592 0.33,593 0.63,594 2.308,595 179.958,596 -0.101,597 -0.167,598 0.156,599 -0.066,600 -0.102,602 0.162,603 0.038,604 0.119,605 0.032,606 0.133,607 0.149,608 0.018,609 0.206,610 -0.023,611 0.136,612 -0.039,613 0.06,614 -0.261,615 -0.157,616 -0.13,617 -0.162,618 -0.226,619 -0.142,620 0.106,621 -0.025,622 0.018,623 0.036,624 0.141,625 -0.078,626 -0.002,627 0.075,628 -0.026,629 0.108,630 -0.044,631 0.055,632 0.021,633 -0.151,634 -0.065,635 -0.165,636 0.039,637 -0.033,638 -0.059,639 0.078,640 -0.096,641 0.004,642 -0.036,643 -0.012,644 4.421,645 6.896,646 0.353,647 32.481,648 1.009,649 1.131,650 1.589,651 2.526,652 0.659,653 3.611,654 3.97,655 4.234,656 4.5,657 4.691,658 4.836,659 4.997,660 5.056,661 5.124,662 5.136,663 6.915,664 0.612,665 509.62,666 3.611,667 5.176,668 6.033,669 6.936,670 7.821,671 8.733,672 9.632,673 10.55,674 11.457,675 12.378,676 4.5,678 2,686 1,689 2,690 1,693 1,694 7,696 11,709 1,711 66,712 14,713 1,714 36,716 68,717 23,718 9,719 5,720 1,723 3,724 6,727 6,730 1,733 3,735 11,736 12,738 3,742 3,745 2,747 1,752 32,753 9,754 2,755 11,756 2,759 3,760 0.333,761 6,766 1,775 2,776 1,778 1,779 1,782 1,787 2,796 1,799 1,801 6,806 34,813 4,815 2,816 3,818 2,823 1,828 9.1,831 3,833 3,835 19.417,836 13.65,837 7.597,838 4.197,840 1,841 2.273,842 1.296,843 0.942,844 9.05,845 9.938,846 3.818,847 4.391,848 4.884,849 5.411,850 5.867,851 6.249,852 6.643,853 6.951,854 7.198,855 7.338,856 0.857,857 55,858 12.944,860 5.726,861 7.906,862 24.059,864 19.699,866 2.406,867 81.806,871 362.151,872 150.891,873 43.466,875 103.553,877 40.296,878 119.614,879 456.686,880 43.466,881 52.951,882 13.483,883 45.174,884 120.713,885 53.742,886 24.901,887 349.097,889 353.133,890 163.08,891 103.553,892 40.296,894 211.88,895 244.806,898 103.091,899 43.203,900 25.803,901 31.278,902 353.133,903 147.018,904 150.891,905 9.018,906 9.018,907 353.133,908 81.244,909 69.648,910 26.68,911 120.338,912 353.133,913 147.018,914 159.909,916 0.585,917 0.347,918 0.181,919 0.094,920 23,921 13,922 0.191,923 13,924 2,925 1.333,926 4.167,927 317.859,928 0.333,929 12,930 156.974,932 1,936 26.972,937 11.408,938 6.152,940 147.018,941 3.721,942 4.514,945 1.599,946 6.911,948 26.68,949 660.061,950 44.5,954 38.27,957 -1.097,959 -3.616,960 66.574,961 74.623,962 0.287,963 0.579,964 0.768,965 0.803,966 0.818,967 0.818,968 5.098,969 1.486,970 6.075,971 5.942,972 4.654,973 5.078,974 3.202,975 6.963,976 4.562,977 6.33,978 1.448,979 7.696,980 4.267,981 4.511,982 5.156,983 2.882,984 8.176,985 4.451,986 7.679,987 1.388,988 9.422,989 3.52,990 6.365,991 7.275,992 4.593,993 11.239,994 6.227,995 9.065,996 1.084,997 11.21,998 3.234,999 7.013,1000 8.136,1001 5.008,1002 13.241,1003 6.902,1004 10.484,1005 0.808,1006 13.035,1007 2.476,1008 8.404,1009 9.809,1010 6.248,1011 15.897,1012 8.243,1013 11.925,1014 0.789,1015 14.885,1016 1.882,1017 9.371,1018 10.991,1019 6.932,1020 18.2,1021 9.219,1022 13.382,1023 0.678,1024 16.754,1025 1.314,1026 10.617,1027 12.521,1028 7.991,1029 20.738,1030 10.433,1031 3.368,1032 0.37,1033 18.636,1034 1.223,1035 11.715,1036 13.848,1037 8.79,1038 23.157,1039 11.527,1040 3.308,1041 12.144,1042 20.53,1043 0.913,1044 12.918,1045 15.33,1046 9.769,1047 25.661,1048 12.708,1049 2.698,1050 12.024,1051 22.432,1052 4.446,1053 14.072,1054 16.729,1055 10.622,1056 28.125,1057 13.851,1058 2.68,1059 8.782,1060 24.342,1061 3.871,1062 15.266,1063 18.198,1064 11.564,1065 30.619,1066 15.027,1067 2.574,1068 7.961,1069 26.258,1070 3.698,1071 16.445,1072 19.633,1073 12.443,1074 33.1,1075 16.191,1076 2.311,1077 7.676,1078 28.18,1079 3.05,1080 17.64,1081 21.102,1082 13.365,1083 35.592,1084 17.369,1085 1.919,1086 7.476,1087 30.105,1088 3.007,1089 18.831,1090 22.557,1091 14.257,1092 38.079,1093 18.544,1094 14224,1095 24527,1096 22.482,1097 43.495,1098 54.772,1099 56.956,1100 58.125,1101 53.855,1102 54.058,1103 66.085,1104 14.579,1105 162.318,1106 51.254,1107 5.653,1108 5.828,1109 6.824,1110 5.474,1111 5.368,1112 7.446,1113 4.212,1114 19.706,1115 5.295,1116 23.182,1117 1.521,1118 1.582,1119 1.615,1120 1.496,1121 1.502,1122 1.836,1123 0.405,1124 4.509,1125 1.424,1126 4.097,1127 4.111,1128 4.478,1129 4.087,1130 7.435,1131 4.047,1132 3.879,1133 3.922,1134 4.271,1135 3.999,1136 7.43,1137 3.735,1138 3.674,1139 3.705,1140 3.831,1141 3.659,1142 7.385,1143 3.599,1144 3.673,1145 3.698,1146 3.587,1147 3.451,1148 4.939,1149 3.474,1150 3.559,1151 3.599,1152 3.558,1153 3.403,1154 4.65,1155 3.361,1156 3.413,1157 3.498,1158 3.197,1159 3.219,1160 4.489,1161 3.199,1162 3.364,1163 3.429,1164 3.182,1165 3.201,1166 4.466,1167 3.169,1168 3.178,1169 3.256,1170 3.108,1171 3.042,1172 4.328,1173 3.015,1174 0.131,1175 0.106,1176 0.196,1177 0.121,1178 0.094,1179 4.704,1180 0.123,1181 3.828,1182 0.069,1183 7.055,1184 0.337,1185 4.346,1186 0.092,1187 3.368,1188 4.446,1189 2.471,1190 12.144,1191 3.295,1192 1.94,1193 1.924,1194 2.033,1195 2.013,1196 1.26,1197 2.028,1198 1.778,1199 1.733,1200 1.861,1201 1.915,1202 1.188,1203 1.958,1204 1.596,1205 1.555,1206 1.839,1207 1.845,1208 0.993,1209 1.836,1210 1.501,1211 1.482,1212 1.776,1213 1.712,1214 0.942,1215 1.755,1216 1.474,1217 1.432,1218 1.76,1219 1.66,1220 0.919,1221 1.699,1222 1.427,1223 1.344,1224 1.607,1225 1.588,1226 0.909,1227 1.617,1228 1.353,1229 1.294,1230 1.539,1231 1.497,1232 0.847,1233 1.563,1234 1.294,1235 1.245,1236 1.509,1237 1.456,1238 0.642,1239 1.485,1240 4.29,1242 5.638,1243 3.045,1244 7.168,1245 5.416,1246 8.79,1247 7.545,1248 10.469,1250 10.574,1256 0.883,1258 5.615,1259 16.196,1261 -1.765,1267 40.366,1268 114.623,1269 230.814,1270 306.401,1271 320.401,1272 326.401,1273 326.401,1274 105.71,1275 7.665,1276 115.85,1277 153.9,1278 16,1279 12.889,1280 3.907,1281 3.248,1282 66.774,1283 137,1284 152,1285 0.23,1286 258.143,1287 453.18,1288 621.628,1289 21010,1291 25.043,1292 0.737,1293 0.65,1294 25.647,1295 22.101,1296 16.096,1297 0.447,1298 0.39,1299 11.32,1300 14.114,1301 10.595,1302 8.834,1303 17.331,1304 14.034,1305 14.908,1306 0.287,1307 0.219,1308 16.726,1309 11.383,1310 12.252,1311 0.18,1312 0.126,1313 14.065,1314 8.576,1315 9.793,1316 0.11,1317 0.074,1318 11.89,1319 6.63,1320 7.316,1321 0.068,1322 0.04,1323 9.135,1324 4.292,1325 0.355,1326 113.738,1327 0.211,1328 30.944,1329 0.65,1330 176,1331 585.197,1332 256.775,1333 574.429,1334 768.56,1335 536,1336 208,1337 513.243,1338 292.648,1339 550.082,1340 810.87,1341 515,1342 8}
{0 CHEMBL1097226,1 1.43,2 9.862,3 4.493,4 20.191,5 106.362,6 7.556,7 0.484,8 4.068,9 4.154,10 3.605,11 3.582,12 5.299,13 3.576,14 4.582,15 4.726,16 4.03,17 3.994,18 5.744,19 3.977,20 4.891,21 5.04,22 4.207,23 4.153,24 6.141,25 4.142,26 5.061,27 5.244,28 4.384,29 4.158,30 6.621,31 4.165,32 4.93,33 5.037,34 4.15,35 4.086,36 6.371,37 4.102,38 4.89,39 5.037,40 4.153,41 4.101,42 6.262,43 4.08,44 4.995,45 5.149,46 3.987,47 4.041,48 6.447,49 3.995,50 4.88,51 5.115,52 3.699,53 3.886,54 6.083,55 3.776,56 0.167,57 0.665,58 10.825,59 5.489,60 28.992,61 6.263,62 0.215,63 1.089,64 19.467,65 9.134,66 43.193,67 11.264,68 0.474,69 1.387,70 28.172,71 11.489,72 87.381,73 13.932,74 1.44,75 1.513,76 37.154,77 12.605,78 209.652,79 16.402,80 1.071,81 1.318,82 30.999,83 10.467,84 186.861,85 11.134,86 0.647,87 1.358,88 28.475,89 11.251,90 102.09,91 13.743,92 1.307,93 1.383,94 34.596,95 11.304,96 211.959,97 13.379,98 0.844,99 1.263,100 32.193,101 10.79,102 150.258,103 14.599,104 113,105 47,106 0.238,107 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1.362,1219 1.342,1220 0.389,1221 1.364,1222 1.008,1223 0.935,1224 1.214,1225 1.245,1226 0.217,1227 1.241,1228 0.868,1229 0.824,1230 1.103,1231 1.02,1232 0.178,1233 1.06,1234 0.826,1235 0.771,1236 1.041,1237 0.986,1238 0.129,1239 1.019,1240 3.892,1242 5.198,1244 6.72,1246 8.342,1248 10.015,1250 3.188,1251 6.007,1258 3.245,1259 10.634,1267 24.482,1268 62.059,1269 127.446,1270 149.098,1271 166.608,1272 168.608,1273 170.608,1274 26.934,1275 6.949,1276 56.27,1277 56.27,1278 18,1279 12.292,1280 4.17,1281 3.248,1282 34.325,1283 68,1284 62,1285 0.253,1286 155.357,1287 260.25,1288 370.831,1289 8745,1290 2.8,1291 15.527,1292 0.706,1293 0.586,1294 16.027,1295 12.886,1296 10.707,1297 0.446,1298 0.291,1299 6.501,1300 9.896,1301 6.265,1302 5.239,1303 10.996,1304 6.981,1305 9.296,1306 0.282,1307 0.152,1308 9.705,1309 5.018,1310 7.938,1311 0.18,1312 0.079,1313 8.2,1314 3.463,1315 6.751,1316 0.116,1317 0.041,1318 7.02,1319 2.376,1320 5.513,1321 0.074,1322 0.021,1323 5.679,1324 1.566,1325 0.386,1326 70.965,1327 0.25,1328 21.377,1329 0.728,1330 114,1331 375.298,1332 140.883,1333 387.59,1334 522.47,1335 364,1336 134,1337 361.137,1338 155.677,1339 378.335,1340 548.76,1341 352,1342 5.886}