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1.6961 -0.7243 0.1346 2.4733 3.2445 0.0996 0.1355 -1.4807 -0.457 0.2097 -1.122 -1.4692 -1.2659 -0.4731 0.0316 -0.4076 -0.5705 -1.0126 -1.5054 -0.2294 -1.9817 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 035F8ACA00000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 121.2233 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 55.914 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10 15 12035449432877082427 106641 1 10665235843551594631 10670039 82 18340767036510044617 10835480 77 18336833090942063920 11135609 127 18340764962125307844 11181472 205 18189612736306370761 11297750 10 16845280610340920705 11386260 185 18335990826702748988 11607047 141 14779256520371153952 11719270 70 17561083579592674414 11973864 48 18334869333880926579 11991303 11 17917141805991540375 12082328 90 18342737408638664597 12133447 93 16805881776297409535 12664476 115 17675923197248048876 13177829 20 9007051366369556663 13668630 136 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RMSD 7 2012.05.21 0.8 Diverse Conformer ID List 6 2012.05.21 1 45 194 66 166 199 184 161 164 192 197 116 23 175 133 196 24 181 157 198 56 177 139 44 83 16 169 138 179 118 107 201 80 128 143 208 167 213 125 79 168 149 204 85 9 159 207 211 110 123 54 176 11 224 173 115 34 124 180 48 214 78 163 120 77 210 158 37 154 84 191 186 131 19 26 111 203 43 150 129 94 88 172 189 97 174 200 72 49 165 103 71 10 162 32 145 222 96 100 21 221 22 57 114 31 92 64 218 193 205 188 195 122 60 219 35 140 212 209 59 106 108 135 91 39 70 58 99 141 46 206 33 215 119 47 220 87 217 185 30 95 52 51 62 25 75 89 27 117 101 152 15 18 104 68 126 20 190 134 81 132 144 63 121 3 216 42 41 183 74 202 55 65 50 151 156 90 142 98 130 147 76 2 14 187 170 113 182 160 178 29 109 17 69 36 53 38 127 86 146 153 137 223 155 148 73 102 40 12 6 93 61 171 105 28 13 136 4 67 112 7 82 5 8 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 41 1 -0.57 10 0.37 11 0.3 12 0.3 13 0.1 15 0.64 16 -0.15 17 0.31 18 0.17 19 -0.15 2 -0.36 20 -0.15 21 -0.15 22 0.14 23 -0.15 24 0.23 25 0.14 26 0.05 27 -0.15 28 -0.15 29 -0.15 3 -0.84 30 -0.15 31 0.08 32 0.28 4 -0.66 41 0.15 42 0.15 43 0.15 44 0.15 48 0.15 49 0.15 5 0.83 50 0.15 51 0.15 52 0.15 53 0.15 6 -0.62 7 -0.71 8 -0.71 9 0.37 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 6.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 11 1 1 acceptor 1 2 acceptor 1 3 cation 1 6 acceptor 1 7 acceptor 1 8 acceptor 5 5 7 8 24 25 rings 6 14 17 19 20 21 23 rings 6 26 27 28 29 30 31 rings 6 3 4 9 10 11 12 rings 6 6 13 14 16 17 18 rings 32 0 0 0 0 0 0 0 1 1