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-0.7472 0.3532 1.5786 -0.2949 1.0904 0.8772 -1.4382 0.3846 0.3084 0.9057 -1.4096 -3.0232 -0.2377 0.7915 -0.6192 0.347 -1.0635 -0.5804 1.0142 1.1112 1.046 -0.9745 -0.9602 -1.8183 -1.4429 2.6668 2.4685 2.0182 1.3143 1.7717 -2.3791 1.441 1.8176 -2.3062 -3.9004 -3.2833 -2.8189 -0.217 1.5144 -1.038 0.7231 -1.7857 -0.9263 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 0361267800000003 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 167.4097 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 45.685 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10055352 69 18342176704821381089 10280341 67 18339910611346550384 10533779 1 18334565854795098372 10625338 131 18335976541704540288 10930396 42 16298104277335013349 11409948 8 18187377532779171969 11421887 103 17899403204665705349 11421887 45 18338502141036021348 11621639 254 17984694773719913935 11991303 11 17489303148648283214 12013929 29 18124877846217049745 12120059 9 9582957883445689938 12133447 93 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10375874078330027512 4169191 19 18410572881730413321 44802255 64 18130511945387216518 5372103 7 18344149198411046452 5937810 71 18341619217697237945 6201320 82 18341910570824981320 6289498 60 18040707052782354528 9689198 14 18410016572318307142 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 685.71 31.3 4.82 1.57 26.48 1.32 -0.85 44.01 -3.9 3.03 -0.56 0.12 -1.1 1.08 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1481.489 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 376.8 Conformer RMSD 7 2012.02.08 1 Diverse Conformer ID List 6 2012.02.08 3 106 80 109 116 70 132 118 23 60 9 41 64 114 90 86 127 119 117 65 43 54 74 52 68 88 101 110 42 125 12 108 133 105 26 57 71 136 29 89 82 139 58 103 28 85 49 121 8 115 73 81 79 112 95 20 56 91 13 111 39 99 107 19 123 83 129 113 59 87 78 24 40 130 48 120 55 75 15 124 69 98 50 27 77 137 36 135 67 96 14 31 102 104 1 21 51 93 33 4 134 138 30 37 17 5 22 128 34 94 32 100 18 2 126 38 131 61 35 10 63 76 53 62 97 72 44 25 16 46 84 122 66 47 45 11 92 7 6 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 49 1 -0.24 10 0.12 11 0.62 12 0.65 13 0.03 14 -0.18 16 -0.15 17 -0.15 18 0.08 19 0.08 2 -0.36 20 -0.15 21 0.18 22 0.34 23 -0.15 24 -0.15 25 0.57 26 0.12 27 -0.15 28 -0.15 29 0.28 3 -0.57 30 -0.15 31 -0.15 32 -0.15 33 -0.15 34 -0.15 35 -0.15 38 0.15 4 -0.36 42 0.15 43 0.15 44 0.15 47 0.15 48 0.15 49 0.37 5 -0.57 50 0.15 51 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.42 60 0.15 7 -0.63 8 -0.55 9 0.3 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 9.4 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 9 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 8 donor 5 1 6 10 11 12 rings 6 13 16 17 18 19 20 rings 6 21 23 24 27 28 30 rings 6 26 31 32 33 34 35 rings 35 0 0 0 1 1 0 0 1 3