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Software 2019.06.18 39 1 -0.57 10 0.3 11 -0.18 14 0.48 15 -0.33 16 0.3 17 0.3 18 0.05 2 -0.68 20 0.58 23 -0.15 25 0.28 26 -0.15 27 0.54 28 -0.15 29 -0.15 3 -0.57 30 0.08 31 0.09 32 -0.15 33 -0.15 34 0.28 35 0.16 36 0.16 4 -0.36 5 -0.66 53 0.27 58 0.15 59 0.15 6 -0.66 60 0.15 61 0.4 62 0.15 63 0.15 67 0.15 68 0.15 7 0.03 8 -0.62 9 0.18 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 14 1 1 acceptor 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 7 cation 1 7 donor 1 8 acceptor 4 18 21 22 24 rings 5 7 11 15 19 23 rings 6 19 23 26 28 29 30 rings 6 5 9 10 11 14 15 rings 6 6 9 12 13 16 17 rings 6 8 31 32 33 35 36 rings 36 1 1 0 0 0 0 0 1 1