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-0.1317 -1.2602 1.1127 0.529 -1.1444 1.2286 0.1001 -1.5243 -1.6585 1.3262 1.8825 -0.7797 -1.9111 0.5881 -0.0062 -2.423 -1.7464 0.0653 0.266 -1.1867 0.3448 1.8326 0.6888 2.1655 -2.28 2.032 0.6543 -0.4101 1.3978 -2.0232 2.1971 0.1903 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 0396763100000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 94.0899 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 66.158 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10411042 1 18267021644293245090 10675989 125 18198345245921481896 10937287 8 17836081552051878265 11331351 85 17559967523539513201 11456790 92 18115032875526713057 11720765 8 18338226090169508361 12107698 1 18341894044517916685 12166972 35 18060423504060085017 12293681 4 17762325925550154525 12788726 201 18191876617594378626 13134695 92 18410293583980173591 13140716 1 18049723220091618584 13540713 5 17683540433686335270 13583140 156 18263374718932775963 13590594 115 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18410296934013018571 7399639 24 17685788217156927595 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 628.45 14.27 6.48 1.35 30.38 10.03 0.26 -5.84 2.18 -12.76 -2.36 0.95 -0.71 0.28 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1379.73 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 342.2 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 20 16 12 32 24 31 39 42 33 26 29 14 34 11 27 23 25 18 37 21 40 13 41 10 8 3 9 30 28 17 19 35 22 15 38 36 7 6 5 4 2 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 42 1 -0.19 10 0.16 11 0.22 12 0.22 13 0.3 14 -0.16 15 -0.33 16 0.48 18 -0.15 19 0.69 2 -0.68 20 0.28 21 0.57 22 -0.15 23 -0.15 24 -0.15 25 0.06 26 0.08 27 0.12 28 0.19 29 -0.15 3 -0.57 30 0.28 31 -0.15 32 -0.15 33 -0.15 4 -0.57 41 0.27 44 0.15 45 0.15 46 0.37 47 0.15 5 -0.36 51 0.4 52 0.15 56 0.15 57 0.15 58 0.15 6 -0.51 7 -0.66 8 0.03 9 -0.55 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 7.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 13 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 8 cation 1 8 donor 1 9 donor 4 6 10 11 12 rings 5 8 14 15 17 18 rings 6 17 18 22 23 24 26 rings 6 27 28 29 31 32 33 rings 6 7 10 13 14 15 16 rings 33 1 1 0 0 0 0 0 1 2