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-0.7475 -1.1573 0.1505 0.1119 -0.344 0.8153 -0.1618 0.1922 0.1962 -1.1007 0.9832 -0.8233 1.3296 -0.1285 0.1363 0.8631 -0.0043 -1.0291 -0.5022 0.4673 0.4795 -0.398 -0.1154 -0.4391 0.061 -0.4596 0.4411 -0.6002 -0.8776 0.3002 -0.2203 -1.6765 -1.7354 1.9233 0.472 -0.4049 -1.778 1.8951 1.9845 -0.9012 0.7657 1.6221 0.1882 -1.4861 -1.849 -0.9437 0.3116 -1.4105 0.6901 0.6872 0.4845 -0.974 -1.2137 -0.8053 0.4573 -1.0033 -0.0058 -1.5913 -1.3719 0.5911 -0.3297 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 0411A96200000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 109.523 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 76.293 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10280341 67 18271513291332801104 10533779 1 18409158913845759377 10625338 131 18410287021702512976 10835480 77 18343868822803720446 10930396 42 16298390142116486173 11297010 23 18130791114540982798 11409948 41 16342874131854698462 11409948 8 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134 4 155 225 157 182 100 70 199 226 253 128 211 144 138 110 202 77 242 20 71 234 196 85 238 217 114 84 112 258 102 153 166 29 205 79 214 28 86 69 257 229 49 51 159 227 141 185 236 126 135 2 230 130 168 125 192 83 145 186 222 137 89 184 255 78 61 44 120 113 183 220 191 224 207 219 149 62 201 171 208 124 146 59 56 88 108 119 180 197 169 256 174 148 164 37 129 154 98 151 55 177 263 53 93 266 247 241 240 9 190 5 123 99 66 209 80 175 45 21 245 194 218 150 16 73 206 103 40 118 264 26 41 81 249 36 10 106 136 147 12 46 105 239 195 127 213 212 235 221 64 187 35 38 116 17 248 251 52 139 30 122 216 267 189 143 96 210 63 265 237 170 259 107 204 117 34 162 165 23 152 60 14 231 33 19 13 261 32 58 252 68 47 140 104 27 215 42 39 246 111 65 43 90 193 244 233 232 254 72 11 188 67 200 160 109 176 223 156 173 95 101 6 75 250 94 172 24 74 158 243 82 132 163 133 161 48 76 262 25 22 54 167 18 3 57 178 131 228 115 142 7 198 92 97 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 41 1 -0.18 10 -0.62 11 -0.55 12 0.27 13 0.27 14 0.37 15 0.37 16 0.27 17 0.41 18 0.87 19 0.29 2 -0.46 20 0.27 21 0.28 22 -0.15 23 0.41 24 0.57 25 0.48 26 0.14 27 0.12 28 -0.14 29 0.18 3 -0.68 30 -0.15 31 0.14 32 -0.15 33 -0.15 4 -0.57 48 0.36 5 -0.81 51 0.15 52 0.4 53 0.37 54 0.4 58 0.15 6 -0.84 62 0.15 63 0.15 7 -0.9 8 -0.87 9 -0.62 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 10.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 15 1 11 donor 1 3 acceptor 1 3 donor 1 4 acceptor 1 5 cation 1 7 cation 1 7 donor 1 8 cation 1 8 donor 3 6 9 17 cation 3 9 10 25 cation 5 2 7 18 19 20 rings 6 27 28 29 30 32 33 rings 6 5 6 12 13 14 15 rings 6 9 10 17 22 23 25 rings 33 2 0 2 0 0 0 0 1 9