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037BDC4D00000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 78.0555 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 50.867 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10 15 18260552242228703970 10076449 9 18201717406088369071 100830 39 18411419501636831176 10165383 225 17561096804287465579 10369192 42 17274835653207418203 105312 117 17561368374251699695 10554248 39 15841284714076300220 10577160 183 16630522896304354598 12107183 9 18051410670004008730 12236239 1 18410009975122375266 12422481 6 17968375624682710494 12596602 18 17822012025216300714 12760667 363 10737286861688624363 12988421 55 18129958814140106923 13167372 99 18333728018950420450 13583140 156 18186241732033688723 13690498 29 17558542754149668662 13911987 19 18060415786235903715 14294032 229 18060420201837057691 15021287 119 17676490570849434436 15064981 113 17631443480437340206 15183329 4 17917715704011289642 15513586 35 17975715087862497649 15604295 49 17844803893104124560 15799311 1 11242248494609758024 15876981 60 18268146646588476847 16114785 44 16227148346513651447 16993438 75 17387676224573404012 17913733 40 15864061071132135690 19309040 13 17556012486348238597 20281389 69 18410012156817471002 20511986 3 18334283267547581760 21403212 168 11674872248955125205 21756936 100 18261110819874159354 22122407 14 18187937239288686648 22956985 138 16961564149174229675 2303208 19 15140671467881877378 23559900 14 16773801433056196194 2838139 119 17704353260416597712 312425 54 15864067654836952346 4015057 19 13326564216084095338 445580 37 18343031008202770996 4616759 239 17969498389553487144 4938544 92 17095519583014280823 5104073 3 17749107755812017122 5372103 7 17606097508989142381 6009941 240 16950279594153157197 6299153 45 18263074428057178474 6327066 14 18339357449449165693 6328613 192 18410575111256114328 7226269 152 18343586256794222176 9981440 41 18266459815948728707 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 550.2 18.91 2.94 1.51 33.7 1.11 0.13 9.93 0.82 -3.53 -0.51 -2.29 -0.01 -0.65 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1205.692 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 295 Conformer RMSD 7 2012.02.08 1.2 Diverse Conformer ID List 6 2012.02.08 1 5 193 46 257 190 247 244 268 125 90 67 147 208 232 31 82 185 22 269 209 68 213 93 176 250 218 255 109 260 238 157 100 192 265 65 229 221 256 245 7 262 116 152 171 134 249 239 43 131 104 259 51 214 105 106 10 266 34 77 168 173 215 117 102 6 13 165 118 141 231 48 270 196 140 258 161 222 80 81 99 252 170 201 186 160 55 243 128 119 89 24 3 60 62 271 30 267 203 166 112 94 133 223 127 210 33 74 87 216 56 264 211 95 143 122 39 183 25 181 120 242 4 124 199 64 162 8 227 233 188 187 230 26 178 158 85 53 164 202 75 194 40 197 97 155 129 179 108 92 145 167 114 2 84 135 69 246 38 219 195 103 59 88 237 234 154 52 261 36 121 136 42 113 61 54 156 130 228 205 18 98 37 191 263 159 204 253 79 251 41 76 50 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0 0 0 1 12