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0.6767 -1.7614 -1.8782 0.0987 1.6022 -0.2345 -1.6626 1.6997 1.9732 -1.2271 -0.9215 1.1201 1.5466 1.075 -0.1792 1.362 -0.7166 0.7263 -0.2642 0.7499 -2.5942 -1.5622 -0.9274 0.04 0.6518 -2.0088 -0.7284 1.2383 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 035C864F00000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 96.5928 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 45.674 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10050765 1 18412262797275725841 10319688 140 18412262860860796243 11135609 149 18337090307864534981 11204353 107 18196379332116315791 11409948 41 18197761384900775751 114674 6 18337679706200067256 11719270 70 18196086861890945576 11963148 33 18055627563537417927 12107183 9 17984719830981696697 1361 2 18266179620191640425 13692114 37 17765143261003955640 14675020 138 18057874947792550144 14904385 45 18336559209457340859 15003188 105 18337962199147415462 15019793 15 18339642377717368991 15538507 19 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Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 604.9 17.38 7.91 1.23 42.76 2.13 0.1 16.02 -2.13 -15.57 2.57 -0.94 0.53 0.52 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1294.52 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 333.7 Conformer RMSD 7 2012.01.18 1.2 Diverse Conformer ID List 6 2012.02.08 1 121 57 42 129 136 49 111 37 113 59 61 85 122 12 94 133 34 125 97 52 76 98 116 117 126 81 79 137 91 80 127 95 110 100 130 74 69 101 3 82 87 132 120 123 40 65 19 63 139 70 134 33 112 75 54 10 107 48 105 29 47 50 23 55 102 31 39 32 109 71 26 36 22 67 114 28 64 41 96 60 131 104 14 17 108 115 118 77 38 35 83 73 106 128 25 62 93 66 13 6 90 18 27 138 24 58 21 8 7 99 84 45 86 11 4 44 135 16 30 119 89 68 124 20 103 92 56 46 9 5 53 43 15 51 88 2 78 72 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 44 1 -0.19 10 0.37 11 0.27 12 0.1 13 0.14 14 0.12 15 -0.15 16 -0.14 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 0.57 23 0.2 24 0.16 25 0.16 26 -0.14 27 -0.15 28 -0.15 29 0.19 3 -0.81 30 -0.15 31 -0.15 4 -0.84 44 0.15 45 0.15 46 0.15 47 0.37 48 0.15 49 0.15 5 -0.55 50 0.15 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 6 -0.62 7 0.27 8 0.27 9 0.37 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 9.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 9 1 2 acceptor 1 3 cation 1 4 cation 1 5 donor 1 6 acceptor 6 12 14 15 17 18 19 rings 6 26 27 28 29 30 31 rings 6 3 4 7 8 9 10 rings 6 6 16 20 21 24 25 rings 31 0 0 0 0 0 0 0 1 3