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Software 2019.06.18 330.5 Conformer RMSD 7 2012.05.21 0.8 Diverse Conformer ID List 6 2012.05.21 1 137 147 31 130 168 36 111 53 127 166 125 107 54 145 115 41 95 105 101 30 165 68 17 148 78 69 35 93 84 94 142 3 64 60 151 104 79 37 152 73 132 100 143 18 126 2 29 160 83 156 27 16 91 114 24 82 77 164 4 167 57 15 135 146 128 133 48 123 99 70 110 25 7 155 136 88 102 124 140 90 21 34 106 109 8 22 11 38 55 14 89 144 96 26 43 52 161 49 58 28 134 139 75 44 61 59 153 50 98 45 33 131 118 81 9 117 72 149 113 122 129 39 157 150 42 116 120 66 40 32 76 159 19 163 47 87 108 80 103 56 46 86 85 141 71 6 5 121 92 112 62 12 119 13 67 20 74 63 23 10 158 97 138 51 65 162 154 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 43 1 -0.57 10 0.37 11 0.27 12 0.27 13 0.1 15 0.27 16 -0.15 18 -0.15 19 0.09 2 -0.84 20 -0.15 21 0.41 22 -0.15 23 0.54 24 0.1 25 -0.15 26 0.16 27 -0.15 28 -0.15 29 -0.15 3 -0.81 31 -0.15 32 0.14 4 -0.6 44 0.15 45 0.15 46 0.15 47 0.15 48 0.4 49 0.15 5 -0.62 50 0.15 51 0.15 52 0.15 53 0.15 54 0.37 55 0.37 56 0.27 57 0.15 6 -0.8 7 0.3 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 14 1 1 acceptor 1 2 cation 1 3 cation 1 4 cation 1 4 donor 1 5 acceptor 1 6 donor 1 7 donor 1 8 acceptor 5 7 8 28 30 32 rings 6 13 14 16 18 19 20 rings 6 2 3 9 10 11 12 rings 6 24 27 28 29 30 31 rings 6 5 17 21 22 25 26 rings 32 0 0 0 0 0 0 0 1 20