@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3720

@attribute molecule_id {CHEMBL116375,CHEMBL116762,CHEMBL118107,CHEMBL118407,CHEMBL118408,CHEMBL118715,CHEMBL118726,CHEMBL118966,CHEMBL119628,CHEMBL119643,CHEMBL119933,CHEMBL119937,CHEMBL120008,CHEMBL120142,CHEMBL120258,CHEMBL120265,CHEMBL120302,CHEMBL120393,CHEMBL120641,CHEMBL120906,CHEMBL121009,CHEMBL121651,CHEMBL122307,CHEMBL123646,CHEMBL2163366,CHEMBL2165259,CHEMBL2165260,CHEMBL2165263,CHEMBL2165264,CHEMBL249069,CHEMBL249272,CHEMBL250744,CHEMBL250745,CHEMBL250941,CHEMBL250942,CHEMBL263490,CHEMBL324097,CHEMBL325656,CHEMBL330778,CHEMBL331772,CHEMBL332631,CHEMBL332774,CHEMBL398749,CHEMBL399379,CHEMBL399634,CHEMBL400562,CHEMBL400743}
@attribute MATS5m 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 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 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.008 numeric
@attribute C.011 numeric
@attribute C.016 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.040 numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN 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_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_DN numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DN numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_NN numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AN numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DN numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_NL numeric
@attribute CATS2D_04_NN numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AN numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_NL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_NL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_NL numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_NL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AN numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL 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.089 numeric
@attribute CMC.50 numeric
@attribute CMC.80 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute DBI numeric
@attribute D.Dtr05 numeric
@attribute pXC50 numeric

@data
{1 0.024,2 1.592,3 12.923,4 4.361,5 19.016,6 97.385,7 8.146,8 0.231,9 3.977,10 4.07,11 3.556,12 3.482,13 5.165,14 3.45,15 4.514,16 4.66,17 3.955,18 3.882,19 5.796,20 3.81,21 4.908,22 5.107,23 4.098,24 4.054,25 6.189,26 3.954,27 4.992,28 5.202,29 4.124,30 4.019,31 6.357,32 3.908,33 4.93,34 5.165,35 3.814,36 3.878,37 6.359,38 3.751,39 4.779,40 5.026,41 3.515,42 3.77,43 5.813,44 3.612,45 4.633,46 4.882,47 3.449,48 3.669,49 5.628,50 3.51,51 4.529,52 4.765,53 3.404,54 3.579,55 5.576,56 3.433,57 0.193,58 0.6,59 9.965,60 5.155,61 39.883,62 6.097,63 0.431,64 0.953,65 19.368,66 8.769,67 97.42,68 11.029,69 0.986,70 1.202,71 37.078,72 11.96,73 185.694,74 15.285,75 1.333,76 1.217,77 46.789,78 12.414,79 235.186,80 15.823,81 1.407,82 1.136,83 40.012,84 11.211,85 266.126,86 14.963,87 0.882,88 0.99,89 36.05,90 10.021,91 154.125,92 13.211,93 0.684,94 0.872,95 31.403,96 8.95,97 118.512,98 11.905,99 0.638,100 0.78,101 28.416,102 8.024,103 110.558,104 10.471,105 79,106 35,107 0.275,108 0.573,109 0.721,110 0.852,111 0.907,112 0.921,113 3.302,114 1.063,115 -4.23,116 -4.17,117 -3.94,118 36,120 8,125 1,126 1,128 3,129 1,130 2,133 2,135 2,136 2,137 9,138 1,140 1,141 2,142 3,143 1,144 14,145 1,147 1,148 1,149 2,150 4,151 2,152 13,153 1,154 1,156 1,157 2,158 2,159 2,160 3,161 3,162 12,163 2,165 1,166 2,168 3,169 2,170 4,172 9,173 2,175 2,178 4,179 8,180 2,182 2,184 4,185 7,186 2,187 2,189 4,190 6,191 2,193 2,196 4,197 5,198 2,199 1028,200 16.413,201 16.413,202 16.413,203 16.413,204 16.413,205 15.208,206 12.901,207 9.823,208 16.732,209 12.75,210 12.75,211 12.75,212 12.75,213 12.75,214 10.993,215 9.329,216 4.592,217 13.406,218 4.052,219 2.33,220 1.475,221 0.72,222 0.4,223 0.32,224 3.941,225 2,227 1,228 1,229 660,230 4.95,232 5.244}
{0 CHEMBL116762,1 0.052,2 1.538,3 14.438,4 5.485,5 30.089,6 122.786,7 8.057,8 0.364,9 4.16,10 4.254,11 3.746,12 3.714,13 5.334,14 3.677,15 4.69,16 4.831,17 4.141,18 4.12,19 5.944,20 4.048,21 5.071,22 5.266,23 4.216,24 4.294,25 6.256,26 4.187,27 5.146,28 5.363,29 4.193,30 4.281,31 6.362,32 4.172,33 5.146,34 5.36,35 4.2,36 4.261,37 6.516,38 4.147,39 5.119,40 5.355,41 4.061,42 4.227,43 6.242,44 4.069,45 4.998,46 5.244,47 3.907,48 4.103,49 5.974,50 3.929,51 4.856,52 5.098,53 3.902,54 3.973,55 5.865,56 3.802,57 0.156,58 0.727,59 11.703,60 6.147,61 34.941,62 7.313,63 0.376,64 1.184,65 22.272,66 10.526,67 90.142,68 13.227,69 0.866,70 1.558,71 41.897,72 14.679,73 167.901,74 18.527,75 1.021,76 1.649,77 45.218,78 15.407,79 192.631,80 19.874,81 1.302,82 1.639,83 43.124,84 15.082,85 256.118,86 19.496,87 1.001,88 1.559,89 47.818,90 15.361,91 181.004,92 20.006,93 0.757,94 1.363,95 44.646,96 13.848,97 134.003,98 18.063,99 0.704,100 1.178,101 43.355,102 12.144,103 117.973,104 15.675,105 79,106 45,107 0.252,108 0.562,109 0.71,110 0.857,111 0.902,112 0.902,113 3.501,114 1.024,115 -5.27,116 -5.16,117 -4.82,118 40,120 8,125 1,126 1,128 7,129 3,130 2,133 2,135 2,136 2,137 15,138 1,140 1,141 2,142 5,143 1,144 25,145 2,147 2,148 1,149 1,150 3,151 1,152 25,153 1,154 1,156 1,157 2,158 1,159 2,160 4,161 3,162 22,163 1,165 1,166 1,168 3,169 2,170 3,171 1,172 21,173 2,175 2,176 1,177 1,178 4,179 19,180 2,182 2,184 4,185 14,186 2,187 2,189 4,190 13,191 2,193 2,196 5,197 9,198 2,199 1800,200 20.559,201 20.559,202 20.559,203 20.559,204 20.559,205 18.694,206 15.485,207 12.288,208 20.918,209 16.257,210 16.257,211 16.257,212 16.257,213 16.257,214 13.507,215 11.171,216 5.826,217 16.97,218 4.369,219 2.472,220 1.57,221 0.671,222 0.4,223 0.4,224 4.163,225 2,228 1,229 937,230 5.05,232 5.301}
{0 CHEMBL118107,1 0.089,2 1.538,3 13.938,4 5.151,5 26.534,6 122.36,7 7.282,8 0.333,9 4.221,10 4.33,11 3.72,12 3.718,13 5.355,14 3.683,15 4.766,16 4.935,17 4.109,18 4.126,19 5.954,20 4.059,21 5.106,22 5.305,23 4.175,24 4.295,25 6.26,26 4.195,27 5.239,28 5.475,29 4.189,30 4.313,31 6.402,32 4.203,33 5.229,34 5.465,35 4.193,36 4.297,37 6.538,38 4.177,39 5.153,40 5.389,41 4.024,42 4.259,43 6.248,44 4.105,45 5.078,46 5.331,47 3.844,48 4.166,49 6.007,50 3.988,51 5.026,52 5.296,53 3.638,54 4.053,55 5.921,56 3.854,57 0.123,58 0.824,59 14.138,60 6.451,61 29.222,62 8.206,63 0.37,64 1.325,65 26.323,66 10.748,67 85.999,68 14.405,69 0.737,70 1.666,71 40.988,72 14.119,73 146.611,74 19.046,75 1.028,76 1.81,77 47.818,78 14.928,79 175.37,80 20.974,81 1.295,82 1.724,83 47.614,84 15.336,85 251.21,86 21.115,87 0.897,88 1.606,89 47.185,90 15.005,91 162.741,92 20.43,93 0.617,94 1.503,95 42.354,96 13.97,97 112.331,98 19.342,99 0.672,100 1.353,101 45.422,102 13.201,103 112.684,104 18.433,105 96,106 46,107 0.249,108 0.56,109 0.738,110 0.842,111 0.871,112 0.871,113 3.501,114 1.017,115 -3.99,116 -3.94,117 -3.74,118 37.5,119 2,120 8,125 1,126 1,128 3,129 3,130 2,131 2,133 2,135 2,136 2,137 11,138 1,140 5,141 2,142 5,143 1,144 15,145 2,147 6,148 1,149 1,150 3,151 1,152 11,153 1,154 1,156 4,157 2,158 1,159 2,160 4,161 3,162 13,163 1,165 1,166 2,168 3,169 2,170 3,171 1,172 16,173 2,175 3,176 1,177 1,178 4,179 17,180 2,182 3,184 4,185 14,186 2,187 3,189 4,190 9,191 2,193 2,196 4,197 7,198 2,199 1778,200 20.352,201 20.352,202 20.352,203 20.352,204 20.352,205 18.564,206 21.659,207 12.012,208 20.664,209 16.241,210 16.241,211 16.241,212 16.241,213 16.241,214 13.566,215 21.428,216 5.686,217 16.842,218 4.462,219 2.542,220 1.438,221 0.797,222 0.617,223 0.617,224 4.16,225 1,227 1,228 1,229 905,230 5.099,231 93.4,232 6.469}
{0 CHEMBL118407,1 0.021,2 1.578,3 13.233,4 4.179,5 17.462,6 112.278,7 7.551,8 0.355,9 4.132,10 4.236,11 3.661,12 3.629,13 5.296,14 3.604,15 4.666,16 4.819,17 4.037,18 4.031,19 5.903,20 3.97,21 5.032,22 5.241,23 4.076,24 4.181,25 6.194,26 4.082,27 5.107,28 5.332,29 4.132,30 4.191,31 6.325,32 4.099,33 5.12,34 5.337,35 4.126,36 4.198,37 6.496,38 4.087,39 5.082,40 5.329,41 3.897,42 4.127,43 6.194,44 3.964,45 4.923,46 5.187,47 3.574,48 3.937,49 5.861,50 3.762,51 4.766,52 5.026,53 3.499,54 3.805,55 5.712,56 3.648,57 0.149,58 0.747,59 12.309,60 5.765,61 32.498,62 7.14,63 0.384,64 1.2,65 22.762,66 9.61,67 86.717,68 12.608,69 0.84,70 1.499,71 38.741,72 12.87,73 158.276,74 17.2,75 1.025,76 1.564,77 42.132,78 13.376,79 182.058,80 18.263,81 1.298,82 1.553,83 42.265,84 13.733,85 249.408,86 18.469,87 0.988,88 1.444,89 45.478,90 13.727,91 174.388,92 18.712,93 0.718,94 1.239,95 38.766,96 11.582,97 123.432,98 16.066,99 0.577,100 1.083,101 31.551,102 9.836,103 100.39,104 13.662,105 64,106 42,107 0.261,108 0.579,109 0.736,110 0.866,111 0.899,112 0.899,113 3.439,114 1.003,115 -3.57,116 -3.55,117 -3.38,118 37.9,120 8,125 1,126 1,128 5,129 1,130 2,131 2,133 2,135 2,136 2,137 9,138 1,140 5,141 2,142 5,143 1,144 13,145 2,147 4,148 1,149 1,150 3,151 1,152 10,153 1,154 1,156 4,157 2,158 1,159 2,160 4,161 3,162 13,163 1,165 1,166 2,168 3,169 2,170 3,171 1,172 12,173 2,175 3,176 1,177 1,178 4,179 13,180 2,182 3,184 4,185 8,186 2,187 3,189 4,190 7,191 2,193 2,196 4,197 5,198 2,199 1474,200 19.405,201 19.405,202 19.405,203 19.405,204 19.405,205 17.694,206 18.376,207 11.702,208 19.734,209 15.29,210 15.29,211 15.29,212 15.29,213 15.29,214 12.769,215 15.514,216 5.539,217 15.909,218 4.28,219 2.349,220 1.403,221 0.612,222 0.414,223 0.414,224 4.1,225 1,227 1,228 1,229 810,230 5,231 86.8,232 5.409}
{0 CHEMBL118408,1 0.045,2 1.595,3 14.485,4 6.15,5 37.819,6 127.591,7 8.631,8 0.353,9 4.165,10 4.253,11 3.812,12 3.735,13 5.351,14 3.698,15 4.696,16 4.83,17 4.229,18 4.148,19 5.968,20 4.076,21 5.079,22 5.264,23 4.338,24 4.333,25 6.286,26 4.228,27 5.155,28 5.361,29 4.425,30 4.334,31 6.414,32 4.226,33 5.156,34 5.358,35 4.328,36 4.305,37 6.543,38 4.192,39 5.131,40 5.354,41 4.29,42 4.281,43 6.301,44 4.122,45 5.006,46 5.243,47 3.977,48 4.133,49 6.006,50 3.958,51 4.863,52 5.097,53 3.968,54 4.001,55 5.892,56 3.83,57 0.192,58 0.717,59 10.563,60 6.022,61 38.734,62 7.007,63 0.435,64 1.168,65 20.988,66 10.49,67 95.171,68 12.94,69 0.985,70 1.536,71 43.371,72 15.089,73 179.737,74 18.437,75 1.19,76 1.629,77 50.971,78 16.12,79 207.515,80 19.973,81 1.426,82 1.615,83 45.878,84 15.728,85 268.045,86 19.577,87 1.194,88 1.537,89 55.567,90 16.193,91 197.399,92 20.207,93 0.904,94 1.35,95 48.705,96 14.443,97 148.037,98 18.246,99 0.82,100 1.168,101 46.25,102 12.613,103 129.35,104 15.815,105 96,106 47,107 0.261,108 0.57,109 0.727,110 0.881,111 0.923,112 0.923,113 3.531,114 1.036,115 -5.74,116 -5.6,117 -5.22,118 40,120 8,125 1,126 1,128 6,129 3,130 3,133 2,135 2,136 2,137 13,138 1,140 1,141 2,142 5,143 1,144 25,145 2,147 2,148 1,149 1,150 3,151 1,152 23,153 1,154 1,156 1,157 2,158 1,159 2,160 4,161 3,162 24,163 1,165 1,166 1,168 3,169 2,170 3,171 1,172 20,173 2,175 2,176 1,177 1,178 4,179 21,180 2,182 2,184 4,185 14,186 2,187 2,189 4,190 13,191 2,193 2,196 5,197 9,198 2,199 1956,200 21.059,201 21.059,202 21.059,203 21.059,204 21.059,205 19.141,206 17.086,207 12.495,208 21.529,209 16.741,210 16.741,211 16.741,212 16.741,213 16.741,214 13.902,215 12.453,216 5.91,217 17.675,218 4.311,219 2.425,220 1.467,221 0.525,222 0.267,223 0.267,224 4.192,225 3,229 968,230 5.099,232 4.678}
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