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-0.1571 -1.9204 -3.0599 0.2234 0.9883 -1.9266 -2.4625 0.714 1.6144 1.8618 -1.1373 1.9938 -1.5274 2.1792 -0.9129 0.9406 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.01.18 034C76C600000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 108.8316 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 50.829 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10074138 170 18267882613901307257 10319926 262 18271817787143917494 10930396 42 18339629088692247609 11545043 162 18412260602367459362 11552529 35 18261670381182266686 11963148 33 16613356581769030615 12035758 1 18269293300500493113 12128747 34 17983299227498261590 12166972 35 17676770988736246902 12342043 65 17271764665306922350 12422481 6 17775288282999852328 12596602 18 18113897165798553736 13009979 54 18114477737290647079 13583140 156 18129937863283797006 14068700 675 18040998483292069383 14178342 30 18263370209021449478 14844126 61 18334862693095842515 14856354 85 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5104073 3 18200305512783137554 57527293 21 18129958891322261459 6371380 46 17402615147758338406 7288768 16 17413323372984347385 9981440 41 17771328791182815813 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 572.58 13.51 4.69 1.74 24.43 2.78 -0.6 -9.41 5.02 -9.65 0.71 0.04 0.25 1.76 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1232.168 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 314.9 Conformer RMSD 7 2012.01.18 1 Diverse Conformer ID List 6 2012.02.08 1 21 22 11 19 16 2 7 26 18 25 13 12 14 17 15 5 24 3 8 23 20 10 6 4 9 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 34 1 -0.19 10 0.37 14 0.3 15 0.3 16 0.37 17 0.37 18 0.1 19 0.09 2 -0.57 20 0.54 21 0.1 22 -0.15 23 -0.15 24 0.13 25 -0.15 26 0.19 27 -0.15 28 -0.15 29 -0.15 3 -0.52 30 -0.15 4 -0.52 49 0.15 5 -0.84 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 6 -0.66 7 -0.84 8 0.91 9 0.37 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 7.4 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 10 1 2 acceptor 1 3 acceptor 1 3 anion 1 4 acceptor 1 5 cation 1 7 cation 6 18 19 22 23 24 25 rings 6 21 26 27 28 29 30 rings 6 5 9 10 11 12 13 rings 6 6 7 14 15 16 17 rings 30 0 0 0 0 0 0 0 1 1