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-2.5102 0.1029 1.255 -0.7056 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 0051308300000002 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 146.5308 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 152.449 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10190206 1 18269258094637470557 10290309 65 18125165926852701609 10675989 125 17475238998494450344 10940486 97 18335425651259805700 11062273 19 17187557253550044613 11227688 84 17831025989234709531 11297010 23 17183050350887726125 11297750 10 17986661765814994523 11991303 11 18341048514863233317 12107183 9 18044371626938533058 12788726 201 18336815455822248939 12988421 55 18055930796712779913 13347071 3 18336554816028141188 13560911 23 18334570270722053112 13690498 29 18271242828071461883 13782708 43 17631735005885845234 140371 6 17835507599336191865 14068700 686 18198901612195797552 14202776 33 18341896337624323300 14340393 91 18338792424593815674 14659021 117 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OpenEye Scientific Software 2019.06.18 805.72 19.29 7.46 1.54 44.58 1.49 -0.37 3.92 -3.38 -16.91 -1.76 -0.91 -0.77 -3.49 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1755.409 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 430.6 Conformer RMSD 7 2009.12.11 1.2 Diverse Conformer ID List 6 2012.02.08 2 160 21 118 103 228 212 202 140 144 61 214 213 74 194 145 35 234 195 104 77 190 161 155 73 139 165 143 37 150 59 215 180 239 221 34 91 225 253 249 238 192 219 113 179 76 235 80 125 243 126 226 10 236 108 257 181 81 19 157 223 251 227 189 124 237 241 33 15 40 170 193 25 54 256 232 79 196 121 176 122 28 159 119 231 131 198 130 49 220 229 55 106 168 44 246 105 129 183 201 222 89 151 48 94 153 36 149 147 186 38 56 66 210 173 84 204 178 230 12 247 197 205 110 53 175 8 171 207 83 18 72 218 17 70 116 154 11 248 200 117 141 68 97 199 90 39 128 75 255 242 112 224 244 120 133 206 9 29 185 217 148 100 111 60 102 163 188 250 67 7 14 62 138 252 240 45 167 115 203 99 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acceptor 1 10 acceptor 1 10 donor 1 11 acceptor 1 11 donor 1 12 acceptor 1 12 donor 1 13 acceptor 1 14 donor 1 15 acceptor 1 16 donor 1 17 donor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 1 6 acceptor 1 7 acceptor 1 7 donor 1 8 acceptor 1 8 donor 1 9 acceptor 1 9 donor 6 1 18 19 20 23 26 rings 6 13 30 32 34 39 40 rings 6 2 21 22 24 25 27 rings 6 31 33 35 36 37 38 rings 6 39 40 41 42 43 44 rings 44 10 10 0 0 0 0 0 1 36