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80.6173 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 35.703 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10411042 1 18338797789203367846 10688039 33 18187647938559348340 1100329 8 18339363075476625498 11045515 52 18336543802897537508 11265709 11 18339927021898836936 12166972 35 18272929440786378307 12236239 1 17703788111524764655 12516196 113 18411416181173391770 12553582 1 18411411778789799826 12616971 3 18060144275947472487 12788726 201 18116429233503011002 13004483 165 18194954145796982010 13134695 92 18409163294732610743 13140716 1 18193840572519878827 13590594 115 18411421670342192825 13862211 1 18411132498815904846 13899415 154 18339093635092833870 13911987 19 18188510016069499862 14170010 4 18412258467478394057 14347329 18 16227711257785512741 14347332 77 18052823542604268054 14955137 171 18339656589098973682 15042514 8 17978232655803848602 15081414 286 18412831278523869534 15230672 131 17686343479879219844 15439362 3 18265891543671192037 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2019.06.18 18 1 -0.36 11 0.48 12 0.37 13 0.37 16 0.41 18 0.31 19 -0.15 2 -0.84 20 -0.15 21 0.08 22 -0.15 23 0.28 3 -0.62 4 -0.62 43 0.15 44 0.15 45 0.15 5 0.14 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 5.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 7 1 1 acceptor 3 2 3 16 cation 3 3 4 11 cation 5 2 12 13 14 15 rings 6 17 18 19 20 21 22 rings 6 3 4 11 16 17 18 rings 6 5 6 7 8 9 10 rings 23 0 0 0 0 0 0 0 1 1