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-1.3344 -0.6765 0.9847 0.1489 0.7671 0.3605 -0.8562 0.7949 1.6103 -0.2794 1.407 -0.4827 -0.2104 0.6151 -0.7808 1.3385 0.0452 0.8523 -1.3452 0.2395 -1.4521 0.0698 0.9016 1.6305 2.5648 2.4817 -0.6114 0.9083 0.8104 -0.7757 -2.3286 -1.4507 -0.9864 0.1213 2.0074 0.9273 -1.4891 1.4428 2.4307 -0.9427 2.0843 -1.3019 -0.3494 1.1181 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 032FD18E00000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 69.3401 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 50.765 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10369192 42 14418144993711035698 107951 10 18336264557415230063 11007060 377 18343017779097169601 11036077 3 18336265644173590969 11200772 48 18341896273046689664 11315181 36 17346880053137864448 11524674 6 17917990547025557318 12156800 1 16591447373601913691 12166972 35 12319154227252784361 12643181 29 18409448056171802874 12788726 201 17915738682914379304 13135754 10 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18272650168896145308 58260988 521 18261128365780323729 59755656 520 18187928343836228616 70251023 43 17476066299754261983 7226269 152 17846217713519967009 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 587.8 15.05 4.05 1.6 37.18 3.24 0.12 -4.05 3.2 -5.19 -0.86 -1.55 0.93 0.3 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1236.396 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 330.3 Conformer RMSD 7 2011.09.13 1 Diverse Conformer ID List 6 2012.02.08 1 57 82 13 56 47 58 8 62 77 22 95 6 64 83 10 78 2 75 69 33 29 90 4 80 3 71 30 23 36 72 91 68 40 92 28 65 5 43 99 12 26 14 53 16 63 59 17 89 74 7 76 27 97 66 96 37 85 49 38 51 79 11 73 20 55 25 94 50 52 93 86 61 18 87 84 32 35 24 41 46 54 98 34 48 31 21 45 88 81 9 39 67 60 70 15 44 42 19 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 34 1 1.45 10 0.36 13 0.28 14 0.28 15 0.28 16 0.28 18 -0.01 19 0.41 2 -0.56 21 -0.14 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.56 30 -0.15 4 -0.65 5 -0.65 50 0.36 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.85 60 0.15 7 -0.9 8 0.36 9 0.27 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 8.4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 10 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 7 cation 1 7 donor 6 18 20 23 24 29 30 rings 6 2 6 8 10 13 14 rings 6 21 22 25 26 27 28 rings 6 3 9 11 12 15 16 rings 30 1 1 0 0 0 0 0 1 1