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0.8341 0.1056 -0.9254 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 03966C1C00000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 125.0796 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 76.302 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10010297 198 18125438868262684823 10462674 296 18339081463657339729 10483366 6 18192440873429328836 10985338 8 17831848423673882113 11062273 19 18266743678003641263 11297750 10 18128246793226349154 11386260 185 18338785768127581007 13617811 41 18411990183063953862 13944108 23 18263922327452997733 14725015 67 18268702810811133442 14790565 3 17471855178435203273 14849402 71 18336266846928126445 15082195 135 18338523057303674043 15198563 99 18122914126727800031 15439362 3 17834677471925556536 16988056 13 18409445907933819893 18365409 1 17615137581084672876 21133410 127 17825376643332498605 21365058 113 18410860936707603079 21987440 362 17684652417028766332 23559900 14 18272925051641746283 23576562 1 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0.69 29 -0.15 3 -0.57 30 -0.15 31 0.08 32 0.12 33 0.06 34 -0.15 35 -0.15 36 0.28 37 -0.04 38 0.11 39 -0.15 4 -0.57 40 -0.15 41 0.18 42 0.18 43 0.19 5 -0.36 57 0.15 6 -0.02 61 0.15 62 0.15 63 0.37 64 0.4 65 0.37 66 0.15 67 0.15 7 -0.66 71 0.15 72 0.15 8 -0.66 9 0.05 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.05.21 9.6 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 15 1 10 donor 1 11 donor 1 12 acceptor 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 9 cation 5 6 12 33 37 38 rings 5 9 14 18 22 23 rings 6 22 23 26 29 30 31 rings 6 32 34 35 39 40 43 rings 6 7 13 14 15 18 19 rings 6 8 13 16 17 20 21 rings 43 1 1 0 0 0 0 0 1 4