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0.0217 -0.1388 1.5151 -0.5037 0.505 -0.0905 -0.3742 -0.3269 -0.4832 -0.4622 0.5243 -1.4712 0.5439 -1.4518 -0.4441 -0.8224 0.9093 1.9881 2.5635 1.4161 -1.2486 -1.6001 -0.6283 2.0274 2.4391 -1.6183 -0.4432 -0.1346 2.3973 1.7121 -0.4439 0.7881 1.253 -0.0063 -0.4833 -0.4082 2.1285 1.2992 -2.2631 1.3282 -2.2208 -1.6938 0.1011 -0.9954 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 0396633400000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 88.9636 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 61.072 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10076449 9 18202007625285873324 10119406 146 18264780870104077814 10906281 52 18271544013154026334 1100329 8 18411418440146445417 11007060 377 18410576197112811248 11135609 187 18336265635367651408 11488393 25 17912656704778113975 11578080 2 16915078862686863314 12166972 35 18333454218833127836 12293681 25 17986700136884726382 12645989 146 18051699042767430727 12788726 201 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5171179 24 18054508281520647818 563151 40 17554919592752960008 59755656 520 18113898260287733518 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 618.72 13.55 4.18 1.25 8.86 1.37 -0.18 0.24 5.51 -1.94 -1.6 -0.63 -0.01 0.44 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1356.87 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 338.3 Conformer RMSD 7 2012.05.21 0.8 Diverse Conformer ID List 6 2012.05.21 1 8 12 9 5 7 10 11 3 13 6 2 4 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 38 1 -0.19 10 -0.18 13 -0.33 14 0.48 15 0.27 16 0.27 18 -0.15 19 0.28 2 -0.68 20 0.54 21 0.27 22 -0.15 23 -0.15 24 -0.15 25 0.09 26 0.08 27 -0.15 28 -0.15 29 -0.15 3 -0.57 30 -0.15 31 0.19 32 0.28 4 -0.36 44 0.27 5 -0.66 50 0.15 51 0.15 52 0.15 53 0.4 54 0.15 55 0.15 56 0.15 57 0.15 6 -0.81 7 0.03 8 0.18 9 0.3 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 5.6 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 12 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 6 cation 1 7 cation 1 7 donor 5 7 10 13 17 18 rings 6 17 18 22 23 24 26 rings 6 25 27 28 29 30 31 rings 6 5 8 9 10 13 14 rings 6 6 8 11 12 15 16 rings 32 1 1 0 0 0 0 0 1 1