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2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 17 34 28 8 14 9 7 30 24 32 25 31 26 10 5 12 15 18 20 16 35 6 11 4 22 27 36 13 33 29 21 3 19 23 2 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 30 1 1.45 10 0.96 18 0.36 19 0.36 2 -0.65 21 -0.01 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 0.12 27 0.71 28 0.05 29 -0.15 3 -0.65 30 -0.15 31 0.22 4 -0.57 5 -0.28 50 0.15 51 0.15 52 0.15 53 0.15 54 0.37 55 0.15 56 0.15 6 -0.52 7 -0.52 8 -0.85 9 -0.55 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 8 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 12 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 6 anion 1 7 acceptor 1 9 donor 5 5 28 29 30 31 rings 6 11 12 13 16 17 20 rings 6 21 22 23 24 25 26 rings 6 8 11 14 15 18 19 rings 31 0 0 0 0 0 0 0 1 2