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-0.748 0.9033 -0.8352 -1.9926 -0.8638 0.7916 1.4608 -0.6808 0.8546 -1.6717 -0.2948 2.0572 1.6152 2.2345 -2.5493 -2.6534 -2.2313 0.9302 -0.6698 2.225 2.2742 2.5331 -0.8289 -0.7144 -1.8417 1.8342 2.0421 -1.6855 -2.5433 -1.8293 0.8194 0.6358 1.7688 1.0723 1.1664 -2.1332 -1.8569 -2.0273 0.3395 1.7792 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2009.12.11 00011A8600000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 165.3227 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 50.842 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10595046 47 18410853308655534277 10906281 52 17988379117136327503 12107183 9 17976817588818517384 12166972 35 18409732854582989892 12236239 1 17989486316291333334 12403260 363 18340201895210256849 12422481 6 17967810544225245549 12616971 3 18272645736362970799 12633257 1 18339359665483322738 12788726 201 17274834523399113001 13224815 77 18202289099766549274 13533116 47 18041556936905771314 13583140 156 18113629970954885448 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18411419523216987532 3680242 22 18339361864089821226 4015057 19 18409164433094499729 4058900 60 17969793063086081564 4073 2 18114185297615968130 4325135 7 18202561783235381727 4340502 62 17967529120872336666 460360 51 18268165192062126833 474 4 18261394489953087206 5104073 3 18409733958790102963 5283173 99 18336261245890073285 6086070 43 17971452040683670724 67856867 119 18412538825563219088 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 646.81 14.28 3.18 1.42 7.25 1.18 0.02 2.52 0.47 -3.39 -0.06 0.19 -0.21 -0.89 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1365.268 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 361.6 Conformer RMSD 7 2009.12.11 0.8 Diverse Conformer ID List 6 2010.05.05 1 Charge MMFF94 Partial 2 1.9.0 OEChem openeye.com 2012.11.26 12 1 -0.68 17 0.14 2 -0.68 25 0.28 27 0.28 28 -0.28 31 0.14 32 -0.3 76 0.4 77 0.4 81 0.15 82 0.15 Count Effective Rotor 7 1.9.0 OEChem ncbi.nlm.nih.gov 2012.11.26 4.6 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.3 OEShape openeye.com 2012.11.26 10 1 1 acceptor 1 1 donor 1 2 acceptor 1 2 donor 3 18 29 30 hydrophobe 5 8 9 17 20 23 rings 6 3 4 5 6 13 14 rings 6 3 5 7 10 12 16 rings 6 4 6 8 9 11 15 rings 6 7 10 18 19 25 26 rings 32 10 10 0 0 0 0 0 1 1