@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5320 @attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1083134,CHEMBL1084106,CHEMBL1084107,CHEMBL1084890,CHEMBL1084892,CHEMBL1084900,CHEMBL1085141,CHEMBL1173655,CHEMBL119385,CHEMBL1230020,CHEMBL1236107,CHEMBL1240703,CHEMBL1241674,CHEMBL124660,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1421,CHEMBL14762,CHEMBL1614701,CHEMBL162,CHEMBL1721885,CHEMBL1789941,CHEMBL180022,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL215152,CHEMBL221959,CHEMBL223360,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL2332840,CHEMBL24828,CHEMBL249697,CHEMBL255863,CHEMBL259084,CHEMBL261849,CHEMBL278041,CHEMBL288441,CHEMBL296468,CHEMBL300138,CHEMBL31965,CHEMBL377300,CHEMBL379218,CHEMBL38380,CHEMBL384304,CHEMBL386051,CHEMBL428690,CHEMBL440084,CHEMBL445813,CHEMBL450786,CHEMBL464552,CHEMBL475251,CHEMBL477772,CHEMBL483321,CHEMBL491473,CHEMBL494089,CHEMBL509032,CHEMBL513909,CHEMBL521851,CHEMBL522892,CHEMBL525191,CHEMBL535,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL601719,CHEMBL607707,CHEMBL608154,CHEMBL91829,CHEMBL939,CHEMBL941} @attribute Eig04_AEA.bo. numeric @attribute Eig04_EA numeric @attribute SM12_AEA.bo. numeric @attribute CENT numeric @attribute ZM2MulPer numeric @attribute ZM2Per numeric @attribute ZM2V numeric @attribute Eig06_AEA.ed. numeric @attribute Eig06_AEA.ri. numeric @attribute Eig06_EA numeric @attribute Eig06_EA.ed. numeric @attribute SM14_AEA.bo. numeric @attribute SM15_AEA.dm. numeric @attribute ZM2Kup numeric @attribute Eig04_EA.bo. numeric @attribute SM14_AEA.ri. numeric @attribute Eig14_EA.ri. numeric @attribute Eig15_EA numeric @attribute Eig15_EA.ri. numeric @attribute SM09_AEA.dm. numeric @attribute Eig04_AEA.ri. numeric @attribute Eig06_EA.bo. numeric @attribute Dz numeric @attribute ATS1s numeric @attribute Chi0_EA.ri. numeric @attribute Chi1_EA.ri. numeric @attribute MDDD numeric @attribute SM03_EA.bo. numeric @attribute piPC02 numeric @attribute SM02_EA.bo. numeric @attribute Eig15_EA.bo. numeric @attribute BBI numeric @attribute Eig14_AEA.ed. numeric @attribute MPC02 numeric @attribute MWC02 numeric @attribute SM02_AEA.ed. numeric @attribute SM02_EA numeric @attribute SpAD_AEA.bo. numeric @attribute SpAD_AEA.ed. numeric @attribute SpAD_AEA.ri. numeric @attribute SpAD_EA numeric @attribute SpAD_EA.ed. numeric @attribute SRW04 numeric @attribute SRW06 numeric @attribute X2 numeric @attribute ZM1 numeric @attribute ZM2Mad numeric @attribute VAR numeric @attribute Eig06_AEA.bo. numeric @attribute Eig09_AEA.ed. numeric @attribute Eig15_AEA.ri. numeric @attribute Eig15_EA.ed. numeric @attribute SM04_EA.bo. numeric @attribute SM10_AEA.ri. numeric @attribute SpAD_EA.bo. numeric @attribute BID numeric @attribute Eig14_EA numeric @attribute Eig14_EA.bo. numeric @attribute HDcpx numeric @attribute IDM numeric @attribute SM08_AEA.dm. numeric @attribute SpMaxA_EA.ri. numeric @attribute X1sol numeric @attribute XMOD numeric @attribute Eig04_EA.ri. numeric @attribute S0K numeric @attribute Eig08_EA.ed. numeric @attribute RDSQ numeric @attribute SM03_AEA.ri. numeric @attribute Chi0_EA.ed. numeric @attribute Eig04_EA.ed. numeric @attribute SM13_AEA.dm. numeric @attribute X1v numeric @attribute C.018 numeric @attribute SpMax3_Bh.i. numeric @attribute Eig15_AEA.ed. numeric @attribute Eta_betaS numeric @attribute SM07_EA.bo. numeric @attribute SM08_EA.bo. numeric @attribute Eig02_EA.bo. numeric @attribute SM12_AEA.ri. numeric @attribute Eig09_EA.ed. numeric @attribute SM04_AEA.ri. numeric @attribute ATS6m numeric @attribute ATS7m numeric @attribute Eig11_AEA.ed. numeric @attribute ATSC7i numeric @attribute Eig11_AEA.bo. numeric @attribute Eig04_AEA.ed. numeric @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 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 ATS6p numeric @attribute ATS6s numeric @attribute ATS6v numeric @attribute ATS7e numeric @attribute ATS7i 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 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 BIC0 numeric @attribute BIC1 numeric @attribute BIC2 numeric @attribute BIC3 numeric @attribute BIC4 numeric @attribute BIC5 numeric @attribute BLI numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute Br.094 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.011 numeric @attribute C.012 numeric @attribute C.013 numeric @attribute C.015 numeric @attribute C.016 numeric @attribute C.017 numeric @attribute C.019 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_AP numeric @attribute CATS2D_02_DA numeric @attribute CATS2D_02_DD numeric @attribute CATS2D_02_DL 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_AP numeric @attribute CATS2D_03_DA numeric @attribute CATS2D_03_DD numeric @attribute CATS2D_03_DL 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_AP numeric @attribute CATS2D_04_DA numeric @attribute CATS2D_04_DD numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_DP numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_04_PL numeric @attribute CATS2D_04_PP numeric @attribute CATS2D_05_AA numeric @attribute CATS2D_05_AL 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_PL numeric @attribute CATS2D_06_AA numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_06_AP numeric @attribute CATS2D_06_DA numeric @attribute CATS2D_06_DD numeric @attribute CATS2D_06_DL numeric @attribute CATS2D_06_DP numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_06_PL 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_DP numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_07_PL numeric @attribute CATS2D_08_AA numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_AP numeric @attribute CATS2D_08_DA numeric @attribute CATS2D_08_DD numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_DP numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_08_PL numeric @attribute CATS2D_09_AA numeric @attribute CATS2D_09_AL 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 Chi0_AEA.bo. numeric @attribute Chi0_AEA.dm. numeric @attribute pXC50 numeric @data {1 3.913,2 2.553,3 2.553,4 1123,5 462.651,6 666.94,7 434,8 4.69,9 2.752,10 1.805,11 4.948,12 1.805,13 4.948,14 436.236,15 3.377,16 3.377,17 -0.166,18 -0.453,19 -0.422,20 -0.453,21 3.479,22 2.55,23 58,24 5.067,25 18.876,26 15.642,27 25.295,28 4.796,29 4.404,30 5.091,31 -0.594,32 42,33 2.605,34 3.761,35 4.977,36 5.814,37 4.443,38 46.121,39 46.538,40 45.542,41 45.393,42 130.187,43 5.434,44 6.952,45 11.896,46 144,47 204.305,48 102,49 3.253,50 3.711,51 0.504,52 -1.096,53 7.299,54 -1.096,55 63.291,56 3.341,57 -0.188,58 -0.236,59 1.706,60 8.228,61 -0.188,62 0.103,63 13.464,64 88.885,65 2.294,66 116.382,67 3.032,68 237.009,69 3.032,70 10.837,71 7.837,72 7.837,73 9.876,75 3.867,76 2.512,77 17,78 10.716,79 12.395,80 3.802,81 3.802,82 2.575,83 2.575,84 3.898,85 3.897,86 3.414,87 1.216,88 2.5,89 5.772,90 1.682,91 10.037,92 3.884,93 15.085,94 105.742,95 8.778,96 0.767,97 3.876,98 3.969,99 3.685,100 3.557,101 3.514,102 4.342,103 4.468,104 3.966,105 3.915,106 5.557,107 3.863,108 4.56,109 4.722,110 3.994,111 3.994,112 5.781,113 3.931,114 4.58,115 4.762,116 3.908,117 3.95,118 5.751,119 3.886,120 4.601,121 4.819,122 3.857,123 3.946,124 5.646,125 3.871,126 4.499,127 4.692,128 3.935,129 5.602,130 3.856,131 4.493,132 4.659,133 3.953,134 5.719,135 3.858,136 4.594,137 4.821,138 3.718,139 3.862,140 5.71,141 3.742,142 0.057,143 0.666,144 7.483,145 3.94,146 8.578,147 4.237,148 0.115,149 1.074,150 14.667,151 6.738,152 15.682,153 7.342,154 0.247,155 1.318,156 18.974,157 8.268,158 43.026,159 8.97,160 0.275,161 1.334,162 19.434,163 7.928,164 40.885,165 8.824,166 0.302,167 1.29,168 19.997,169 7.981,170 39.294,171 9.967,172 0.252,173 1.223,174 17.439,175 7.486,176 31.067,177 9.636,178 0.242,179 16.215,180 7.987,181 27.859,182 9.813,183 0.261,184 1.31,185 21.198,186 8.944,187 39.575,188 10.966,189 11,190 0.287,191 0.569,192 0.703,193 0.795,194 0.81,195 0.81,196 0.988,197 -4.92,198 -4.83,199 -4.53,201 48.8,206 1,220 10,221 3,222 2,223 2,224 1,230 1,236 1,245 10,248 4,250 1,252 2,253 9,257 8,261 5,263 5,267 8,271 4,273 6,277 1,279 1,281 2,284 14,286 1,287 1,293 18,295 1,296 3,299 1,303 12,306 4,312 4,315 4,324 18.361,325 18.361,326 5} {0 CHEMBL101253,1 3.64,2 2.251,3 2.251,4 911,5 400.645,6 578.74,7 378,8 4.658,9 2.783,10 1.831,11 4.855,12 1.831,13 4.855,14 381.691,15 3.075,16 3.075,17 -0.291,18 -0.583,19 -0.561,20 -0.583,21 3.188,22 2.591,23 52.333,24 4.975,25 17.698,26 14.462,27 23.142,28 4.691,29 4.337,30 5.024,31 -0.833,32 38,33 2.445,34 3.664,35 4.89,36 5.687,37 4.344,38 41.584,39 41.88,40 41.449,41 41.266,42 114.607,43 5.342,44 6.851,45 10.811,46 132,47 171.363,48 97,49 3.274,50 3.562,51 0.391,52 -1.455,53 7.267,54 -1.455,55 58.109,56 3.267,57 -0.34,58 -0.435,59 1.681,60 7.983,61 -0.34,62 0.111,63 12.582,64 78.749,65 2.109,66 108.096,67 2.852,68 209.623,69 2.852,70 10.512,71 6.536,72 6.536,73 8.33,75 3.882,76 2.304,77 15.75,78 10.798,79 12.527,80 3.625,81 3.625,82 2.575,83 2.575,84 3.717,85 3.668,86 3.247,87 0.952,88 2.465,89 5.255,90 1.496,91 10.4,92 4.705,93 22.138,94 100.976,95 8.671,96 0.821,97 3.803,98 3.913,99 3.514,100 3.464,101 3.437,102 4.262,103 4.398,104 3.86,105 3.837,106 5.382,107 3.788,108 4.511,109 4.697,110 3.901,111 3.938,112 5.564,113 3.861,114 4.515,115 4.732,116 3.756,117 3.84,118 5.52,119 3.754,120 4.451,121 4.676,122 3.759,123 3.782,124 5.493,125 3.723,126 4.382,127 4.579,128 3.806,129 5.456,130 3.734,131 4.37,132 4.573,133 3.781,134 5.403,135 3.675,136 4.285,137 4.512,138 3.486,139 3.609,140 5.255,141 3.465,142 0.036,143 0.569,144 5.871,145 3.065,146 6.797,147 3.852,148 0.051,149 0.892,150 10.545,151 5.141,152 10.565,153 6.527,154 0.15,155 1.134,156 18.583,157 7.031,158 22.023,159 8.915,160 0.152,161 1.147,162 19.99,163 7.228,164 24.391,165 9.299,166 0.206,167 1.11,168 17.499,169 6.324,170 25.7,171 8.142,172 0.186,173 1.026,174 15.521,175 5.816,176 22.825,177 7.282,178 0.139,179 15.408,180 6.574,181 20.483,182 8.757,183 0.115,184 0.837,185 16.149,186 6.477,187 20.375,188 8.711,189 2,190 0.259,191 0.558,192 0.709,193 0.819,194 0.836,195 0.845,196 0.893,197 -5.43,198 -5.31,199 -4.96,201 50,203 1,220 10,221 3,222 2,223 2,224 1,225 1,241 1,245 11,248 5,250 1,252 3,253 14,257 7,259 1,261 4,263 10,267 10,271 2,273 8,277 8,281 3,284 13,286 1,287 3,291 1,293 13,295 1,296 3,301 2,303 11,306 3,312 8,315 1,317 1,321 8,324 17.361,325 17.361,326 5} {0 CHEMBL103667,1 3.865,2 2.54,3 2.54,4 3163,5 563.342,6 824.66,7 529,8 5.339,9 3.358,10 2.387,11 6.89,12 2.387,13 6.89,14 556.217,15 3.226,16 3.226,17 1,18 1,19 0.946,20 1,21 3.496,22 2.819,23 83.5,24 5.446,25 26.724,26 22.217,27 51.546,28 5.182,29 4.627,30 5.316,31 1.337,32 61,33 3.596,34 4.127,35 5.342,36 6.196,37 4.812,38 65.312,39 65.558,40 64.61,41 64.651,42 187.972,43 5.802,44 7.323,45 17.699,46 208,47 263.768,48 229,49 3.541,50 4.668,51 1.952,52 2.275,53 7.526,54 2.275,55 82.321,56 3.693,57 1,58 1.461,59 1.794,60 9.269,61 1,62 0.077,63 18.775,64 117.51,65 2.449,66 193.376,67 5.529,68 385.073,69 5.529,70 15.44,71 7.766,72 7.766,73 13.481,75 3.869,76 3.414,77 25.25,78 11.176,79 12.813,80 4.211,81 4.211,82 4.897,83 4.897,84 4.272,85 4.329,86 3.952,87 2.159,88 2.669,89 5.74,90 1.476,91 15.333,92 5.907,93 34.897,94 153.448,95 6.944,96 0.512,97 4.416,98 4.543,99 3.928,100 3.926,101 3.899,102 4.975,103 5.161,104 4.296,105 4.324,106 5.966,107 4.279,108 5.224,109 5.428,110 4.344,111 4.489,112 6.191,113 4.408,114 5.354,115 5.615,116 4.314,117 4.494,118 6.25,119 4.385,120 5.289,121 5.537,122 4.298,123 4.402,124 6.266,125 4.322,126 5.161,127 5.377,128 4.38,129 6.186,130 4.313,131 5.213,132 5.426,133 4.471,134 6.285,135 4.385,136 5.328,137 5.566,138 4.237,139 4.518,140 6.285,141 4.402,142 0.071,143 1.114,144 17.099,145 7.024,146 11.85,147 9.626,148 0.407,149 1.786,150 32.2,151 11.499,152 38.337,153 16.193,154 0.522,155 2.215,156 41.95,157 14.363,158 49.844,159 20.619,160 0.467,161 2.375,162 49.157,163 16.419,164 58.81,165 24.524,166 0.653,167 2.184,168 46.823,169 14.355,170 69.806,171 21.162,172 0.568,173 2.014,174 40.251,175 12.847,176 62.036,177 18.535,178 0.461,179 41.436,180 14.686,181 73.226,182 21.166,183 0.588,184 2.318,185 47.773,186 16.237,187 80.539,188 23.357,189 27,190 0.226,191 0.537,192 0.702,193 0.788,194 0.812,195 0.816,196 0.941,197 -5.07,198 -4.97,199 -4.65,201 40.8,202 4,205 1,207 6,220 11,221 3,222 3,224 1,231 1,234 1,241 1,245 15,248 7,250 3,251 1,252 3,253 18,256 2,257 11,259 1,261 3,263 14,266 1,267 11,269 1,271 8,273 6,276 1,277 8,279 2,281 9,284 6,286 1,287 11,291 6,293 11,295 1,296 13,299 1,301 7,303 11,306 9,308 1,310 1,312 12,314 1,315 8,319 1,321 23,324 26.126,325 26.126,326 5} {0 CHEMBL105442,1 3.654,2 2.496,3 2.496,4 1031,5 439.453,6 642.94,7 412,8 4.887,9 2.738,10 1.829,11 5.201,12 1.829,13 5.201,14 425.256,15 2.787,16 2.787,17 -0.207,18 -0.742,19 -0.623,20 -0.742,21 3.461,22 2.366,23 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