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17838886380539444264 5265222 85 18334285445096611805 7226269 152 18410574011195568258 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 739.55 14.87 4.26 2.01 24.28 0.1 -0.47 0.13 -3.75 -3 0.51 -3.05 0.55 1.57 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1606.427 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 408.2 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 32 137 183 197 105 129 164 166 47 159 134 169 40 83 97 193 148 203 111 186 80 33 112 73 121 185 44 147 69 161 89 108 184 6 177 181 126 85 101 194 63 20 34 133 202 113 50 158 190 154 110 60 156 106 199 100 61 144 31 141 151 107 12 122 127 58 132 204 77 192 90 70 200 131 136 170 139 42 195 62 67 71 74 96 94 99 176 189 165 119 116 86 66 98 87 182 160 7 104 103 171 196 187 135 72 27 57 167 28 25 55 143 81 172 92 24 174 179 76 191 140 36 79 150 91 11 138 45 64 53 95 41 152 149 118 39 180 29 157 10 88 82 130 93 38 109 120 198 188 102 30 43 124 153 125 22 35 37 56 173 142 75 162 5 115 178 16 201 114 18 84 52 13 163 155 168 117 14 23 3 146 19 49 128 145 15 9 48 68 65 2 123 26 51 21 46 54 175 17 59 8 78 4 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 42 1 -0.19 10 -0.48 11 0.37 14 0.37 15 0.28 16 0.41 17 -0.15 18 0.2 2 -0.19 20 0.12 21 0.16 22 0.57 23 -0.14 27 0.3 28 -0.14 29 -0.15 3 -0.34 30 -0.15 31 -0.15 32 -0.14 33 0.19 34 -0.15 35 -0.15 36 0.14 37 -0.15 38 0.19 39 1.16 4 -0.34 49 0.15 5 -0.34 50 0.4 51 0.15 6 -0.68 61 0.15 62 0.15 63 0.15 64 0.15 65 0.15 69 0.15 7 -0.57 8 -0.84 9 -0.62 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 9 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 9 1 6 acceptor 1 6 donor 1 7 acceptor 3 18 25 26 hydrophobe 3 8 9 16 cation 5 8 11 12 13 14 rings 6 23 29 30 32 33 35 rings 6 24 28 31 34 37 38 rings 6 9 16 17 19 20 21 rings 39 1 0 1 0 0 0 0 1 1