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-0.0851 -0.1401 0.6786 2.0697 2.0217 -0.0202 -2.0077 0.7993 0.1849 0.2583 0.467 0.4967 0.7877 -2.3726 -1.3857 -2.3628 -2.144 0.6221 1.4931 0.1505 -0.8072 -1.7201 2.1609 1.5259 0.046 0.7886 -0.08 2.4731 2.5781 -0.2486 1.9329 2.8276 -2.3189 -2.8202 0.0686 1.6786 1.0916 0.2042 0.2816 0.6694 -2.6427 1.015 1.5827 -0.1946 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 03967C9600000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 80.702 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 61.07 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10006869 2 18341607166087836532 10169797 241 17470476356911530659 10319926 262 18051964828375847602 11456790 92 18260839203023059163 11578080 2 17629485181239788136 11763715 3 17024320605000910750 12160290 23 17754479879541923069 12166972 35 17458626756652178983 12293681 160 17542259043040807108 12422481 6 18268998595926718866 12788726 201 18335996302263304664 13004483 165 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3886686 26 17470997091520389674 4409770 3 18043517336147002405 465052 167 18334860558334085242 5104073 3 18267599077430114875 6004065 56 18271511096809415853 6086070 43 18262500599320893639 653340 110 18124317107970702121 7226269 152 18336539409393991329 79837 15 17906730298138160696 81228 2 18118427062867021341 9658208 31 17694516844378935140 9777508 108 17980487758542797681 9896288 288 18194391200681938554 9981440 41 17412145826337823674 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 564.26 10.19 5.25 1.57 3.12 6.04 -0.08 -11.07 5.94 -5.26 0.55 1.58 -0.4 0.11 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1218.543 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 308.6 Conformer RMSD 7 2012.05.21 0.8 Diverse Conformer ID List 6 2012.05.21 1 14 13 8 4 9 7 10 18 3 5 17 15 19 2 11 16 12 6 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 28 1 -0.57 12 0.48 13 -0.33 14 0.27 15 0.27 16 0.05 18 0.58 2 -0.68 22 -0.15 23 0.28 24 0.27 25 -0.15 26 -0.15 27 -0.15 28 0.08 29 0.28 3 -0.36 4 -0.66 46 0.27 5 -0.81 54 0.15 55 0.15 56 0.15 57 0.4 6 0.03 7 0.18 8 0.3 9 -0.18 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 6.4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 12 1 1 acceptor 1 2 acceptor 1 2 donor 1 3 acceptor 1 5 cation 1 6 cation 1 6 donor 4 16 19 20 21 rings 5 6 9 13 17 22 rings 6 17 22 25 26 27 28 rings 6 4 7 8 9 12 13 rings 6 5 7 10 11 14 15 rings 29 1 1 0 0 0 0 0 1 1