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-0.1703 -0.1225 0.429 0.0898 -0.3581 -0.1237 0.3277 -0.0977 0.3551 0.1422 -0.3167 0.7652 -1.1362 1.0276 -0.874 0.208 -0.5425 -0.0612 0.4888 -1.3834 0.4121 -1.2528 0.6472 1.5553 -2.0826 -1.0828 0.8074 -0.8823 -0.2914 -1.2018 0.3377 1.5135 -0.0293 0.2222 0.4974 -0.2561 -1.239 -1.9833 1.8726 -1.5208 -0.1917 -1.2183 -1.0736 -0.0091 0.724 -1.0654 0.186 1.559 -0.0542 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 043916A400000004 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 116.537 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 50.782 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10050765 1 17906175045763366865 10411042 1 17763743591170691142 10675989 125 17910684159585049664 10940486 97 18261681488453673564 11007060 377 18343028782840168488 11062273 19 17764865793437103157 11135926 11 18409726232887962981 11297010 23 17762043355536859637 11763715 3 17470187198037010076 12107183 9 17403198365874043379 12788726 201 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520 18409724079943419668 613672 6 17476618250291072490 6669772 16 18341618066303267166 6700243 42 17478094813118757364 77188 2 17474108077759931598 9896288 288 18408891745398934675 9981440 41 18336273336386418937 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 614.63 13.61 9.22 0.9 32.58 16.08 -0.02 -18.13 -0.38 -12.37 -0.94 -0.02 0.58 -0.28 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1318.947 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 341.4 Conformer RMSD 7 2012.11.26 1 Diverse Conformer ID List 6 2012.11.26 4 39 17 6 60 16 30 51 56 34 50 21 32 24 66 9 22 61 54 33 48 62 52 36 25 27 68 20 37 59 10 49 45 26 63 40 47 15 64 35 41 65 8 13 38 44 71 46 53 70 55 43 58 67 57 5 28 11 18 69 29 14 31 7 23 19 42 12 1 3 2 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 35 1 -0.19 12 0.37 13 0.37 14 0.72 15 0.27 17 0.31 18 0.41 2 -0.36 20 -0.15 21 -0.15 22 0.08 23 0.08 24 0.1 25 0.19 26 -0.15 27 -0.15 28 -0.15 29 -0.14 3 -0.36 30 0.28 31 0.28 32 0.14 4 -0.84 42 0.36 48 0.15 49 0.15 5 -0.9 50 0.4 51 0.15 52 0.15 53 0.15 6 -0.62 7 -0.62 8 -0.6 9 0.27 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 8.2 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 10 1 2 acceptor 1 3 acceptor 1 5 cation 1 5 donor 1 8 donor 4 4 6 7 14 cation 6 17 19 20 21 22 23 rings 6 24 25 26 27 28 29 rings 6 4 9 10 11 12 13 rings 6 6 7 14 17 18 19 rings 32 0 0 0 0 0 0 0 1 3