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-0.0477 0.0399 0.1012 -1.2242 0.5287 -1.0799 0.6985 -0.1568 -0.1111 -0.0026 0.022 0.7743 1.7557 1.4138 -1.0435 -1.9074 0.7276 1.7131 0.0979 -1.3239 -1.7566 -1.9731 0.2308 0.8576 1.9677 0.0843 0.9329 -0.5589 0.0315 0.1398 -0.0941 0.1762 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 04348C7F00000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 110.7269 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 66.013 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10411042 1 18194681467277251358 10595046 47 18270961384235383181 10622 236 17844221100164282863 1100329 8 18339639044452760766 11136131 41 18118671356307212826 11763715 3 17905631920434069838 12107183 9 18126574427798791817 12236239 1 17918272044062705371 13140716 1 18194679487386667568 1361 2 18410291423854164946 13782708 43 17531524274811121051 13785724 45 18127139567441598983 138480 1 18410571747932685724 13955234 65 18410575114912772017 14790565 3 17833273399291124436 14849402 71 18409736174740370121 15081414 286 18340202990442891055 15250474 111 18130213965810906463 15439362 3 18194965382207310740 15927050 60 18052819436140194702 16087824 20 18122908625476346205 16728300 4 17535711206974050832 17492 89 17834110845211325262 17980427 26 17485904613703843185 19319366 153 18127406980764324469 19427546 62 18120935272191783077 20028762 73 18273210876882465519 21049683 271 18261120660092523692 21197605 99 18121221137216277883 21267235 1 18196374711142702022 22311459 1 18410292519286927508 23559900 14 18409161096294949939 24771293 8 18201140127691135778 24771750 20 18116725203872896676 3178227 256 18409456894254220545 3380486 145 17975994058704612705 3421961 26 18411416194231977273 4073 2 18260835925694532163 46194498 28 17603590707474428823 5104073 3 17982721979245271130 5309563 4 18267019457985891526 9555976 147 17560809797782683219 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 578.97 14.35 6.73 0.79 37.76 4.44 0.02 -3.53 -1.65 -12.43 0.31 0.52 0.43 -0.75 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1244.875 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 319.2 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 10 28 21 18 5 26 11 8 17 24 13 19 6 7 3 9 4 14 31 15 16 29 12 22 23 30 20 25 27 2 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 34 1 -0.57 10 0.1 11 0.1 12 0.27 13 0.37 14 0.4 15 0.09 16 0.09 17 0.4 18 -0.15 19 -0.15 2 -0.57 20 0.37 21 0.27 22 0.27 23 0.08 24 0.08 29 -0.15 3 -0.53 30 -0.15 35 0.4 36 0.15 37 0.15 38 0.4 4 -0.53 5 -0.81 56 0.15 57 0.15 58 0.45 59 0.45 6 -0.87 7 -0.87 8 0.09 9 0.09 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 8 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 13 1 1 acceptor 1 2 acceptor 1 3 donor 1 4 donor 1 5 cation 1 6 cation 1 6 donor 1 7 cation 1 7 donor 3 20 25 26 hydrophobe 6 15 16 23 24 29 30 rings 6 8 9 10 11 18 19 rings 6 8 9 14 15 16 17 rings 30 0 0 0 0 0 0 0 1 169