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-0.3456 -1.2481 0.1584 -0.9349 -0.7111 -1.2014 0.4946 1.3292 0.1007 0.3236 -2.4592 -2.804 -2.253 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2010.09.21 02F8AA7D00000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 103.0629 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 78.557 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10032420 55 17968641762352312631 10049733 57 18048036564516824098 10653451 467 18196357338052451864 10771551 21 18046053857404776478 11049842 53 17608658541815074437 11059048 146 17186158665431321615 11513181 2 17691958688816847063 11763389 116 17401771220685092382 12788726 201 17906723705832209727 14394314 77 18338242540432029609 14647877 51 18121218946075366995 14932702 115 17825693271761263407 15264996 44 17765733686121535062 15351339 4 18115857525942493635 15705408 1 18266722749139978277 15968369 26 18048579714861044509 16067690 210 18125440813318516911 16988056 13 18339915042934374724 16991981 162 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Scientific Software 2019.06.18 394.2 Conformer RMSD 7 2010.09.21 1.6 Diverse Conformer ID List 6 2012.02.08 1 56 69 13 25 62 36 60 20 71 19 7 44 67 45 12 31 55 2 58 65 14 53 63 8 48 24 41 50 32 11 39 47 61 9 68 57 64 27 10 40 16 4 49 17 30 18 34 59 35 3 23 51 66 6 52 54 21 29 22 38 70 5 28 42 37 15 43 33 46 26 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 30 1 -0.57 19 0.69 2 -0.36 20 0.12 21 0.08 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 0.28 28 0.27 29 0.27 3 -0.43 30 0.27 31 0.3 32 0.3 33 0.78 34 0.28 4 -0.57 5 -0.73 53 0.37 54 0.37 55 0.15 56 0.15 57 0.15 58 0.15 6 -0.55 7 -0.81 8 -0.66 9 0.3 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 14.4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 13 1 1 acceptor 1 2 acceptor 1 4 acceptor 1 5 donor 1 6 donor 1 7 cation 4 34 35 36 37 hydrophobe 6 10 11 12 16 17 18 rings 6 20 21 22 23 24 25 rings 6 7 8 29 30 31 32 rings 6 9 10 11 13 14 16 rings 6 9 10 12 13 15 17 rings 6 9 11 12 14 15 18 rings 37 0 0 0 0 0 0 0 1 3