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-0.889 1.0298 0.2412 1.0314 0.2137 0.3262 0.0862 -0.7224 -0.0321 1.6091 -0.3916 0.0249 -0.09 -0.2854 -0.2009 -1.1604 -0.1436 -0.2537 0.8007 -0.953 -1.8446 1.1806 0.4474 -0.4414 -1.0525 -1.8231 1.6476 1.6117 1.0246 2.0761 -0.5373 -1.8166 -0.3435 1.8391 2.4799 0.1075 -0.8772 -0.3731 0.867 -0.2839 -0.4901 -1.9241 -0.179 2.2612 1.3595 -1.8078 -1.1212 -2.4115 -2.5467 2.0242 0.7031 -0.5643 -1.3059 0.5026 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 0396638A00000002 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 102.1467 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 66.156 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10050765 1 18266182928092165371 10319926 262 17834098764222553522 10411042 1 18410570695212452742 1100329 8 18337114453959727801 11059845 2 17108732170171179554 11488393 25 18049162473430566171 12788726 201 18117858607229958042 13009979 54 17988367065695926971 13540713 5 18057896925625142523 138480 1 18337958986432769212 13911987 19 17757817941099343909 14068700 675 18131058373202537583 14394314 77 18337672988955892059 14508225 48 18339346527178442487 14790565 3 17547298795961974848 14844126 61 18119247259744218650 15439362 3 18120650490464307261 15684970 41 18123222153451855518 15927050 60 17764039360162079070 15961568 22 18412269433110266686 167882 2 18122341551763366743 16992727 255 17972300834255069477 17627616 140 17762896967385862102 17686467 74 18271235123765796674 19319366 153 17389109940807199283 20028762 73 16685707736241001607 21344244 246 17979628262699083391 21716022 299 16550533617934356212 21796203 349 17976019493637278305 21927370 108 18410020917987168707 22311459 1 18411140195871916699 23366157 5 18191312777959740935 23559900 14 18339068415060715611 255183 313 17911528601646922729 3380486 145 18267318529390769179 3504750 166 17975114458673204914 4280585 95 18339629084181125183 45266715 3 17764030568211128444 463206 1 18335715973995597010 469060 322 18342461413291780394 5171179 24 18337941368371484661 563151 97 17907584980014548221 6669772 16 17691127458226059182 6700243 42 17915203255496428494 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 621.01 11.39 7.39 1.16 8.4 11.92 0.05 -14.02 0.09 2.67 -1.93 -0.81 -0.85 -2.3 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1352.415 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 340 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 2 28 9 32 5 8 23 31 25 12 26 24 11 29 27 34 30 38 36 7 13 19 4 37 33 1 21 6 18 20 3 17 35 14 15 16 22 10 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 38 1 -0.68 10 0.21 11 -0.16 12 0.3 13 -0.33 14 0.48 16 0.41 17 -0.15 18 0.28 19 0.57 2 -0.57 20 -0.15 21 0.26 22 -0.14 23 -0.15 24 0.06 25 -0.15 26 0.08 27 -0.15 28 0.16 3 -0.36 30 -0.15 31 0.16 32 0.28 4 -0.69 44 0.15 48 0.15 5 -0.66 51 0.15 52 0.4 53 0.15 54 0.15 58 0.15 59 0.15 6 0.05 7 -0.62 8 0.16 9 0.21 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 1 acceptor 1 1 donor 1 2 acceptor 1 29 hydrophobe 1 3 acceptor 1 4 cation 1 6 cation 1 7 acceptor 4 4 8 9 10 rings 5 6 11 13 15 17 rings 6 15 17 20 23 25 26 rings 6 5 8 11 12 13 14 rings 6 7 22 27 28 30 31 rings 32 1 1 0 0 0 0 0 1 1