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-2.0254 0.7746 -1.2166 -0.374 -3.4434 -4.0478 -2.5858 0.1205 1.2288 1.8361 -1.9757 -0.8475 -0.2202 1.5331 1.7355 -0.1866 -0.5784 -0.2664 0.3052 -0.3591 -0.144 0.5419 0.2485 0.0005 0.7177 -0.5688 -0.7174 0.2186 -1.7857 -0.3259 -0.1126 -0.0485 0.0174 -2.2564 -0.359 0.6087 0.3946 0.3601 0.8847 1.373 -1.431 0.914 -0.7647 1.0801 -0.427 1.789 -0.1671 -0.02 1.3139 -2.0081 -2.3864 -2.174 -1.3936 0.1688 0.2222 0.3999 -1.0705 -2.649 -2.5819 -2.7646 2.3817 -0.7402 -2.1592 1.0313 0.1219 1.4747 0.566 -0.1228 2.1912 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 0363590400000001 Energy MMFF94 NoEstat 7 1.7.2 Szybki openeye.com 2012.11.26 79.5749 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 71.184 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10 15 11023822890126469519 10319926 262 18341886368577941905 10366900 7 13551185611069323325 10622 236 17414970724575133815 11135609 12 18412268311364101499 11135926 11 18196360649498773036 11456790 92 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16728300 4 18265043644139001838 17349148 13 17822009856685057393 17492 89 18267300018282202655 1813 80 17967530143470192036 18393751 57 16690733557031918225 1979834 28 17418102001042697830 21033648 29 17417230070693161225 21130935 74 18195816387158858619 21267235 1 18409736153133424562 21682296 61 18411704283637944643 22223350 30 17487325182668686979 23522609 53 18122098443978340377 23559900 14 18339350954867906657 3004659 81 18260831463281124286 335352 9 18340483362040541157 3383291 50 18408037420744174810 34797466 226 16443630223868445101 350125 39 18340492256843879749 3680242 22 18272099334992315913 46194498 28 17530964726539707980 465052 167 18341619230502660772 5104073 3 18273216417184140049 54039377 194 18410863136147817334 54728670 133 15122389784814462530 7970288 3 18336541604513131266 Shape Multipoles 8 1.8.3 OEShape openeye.com 2012.11.26 608.17 14.95 3.43 1.36 8.57 1.18 -0.3 -13.51 3.45 3.06 0.34 -0.51 -0.34 0.29 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 1298.305 Shape Volume 7 1.8.3 OEShape openeye.com 2012.11.26 342 Conformer RMSD 7 2012.02.08 0.8 Diverse Conformer ID List 6 2012.02.08 1 16 25 22 24 14 20 10 23 7 18 13 9 12 8 17 27 15 3 26 5 11 2 19 4 6 21 Charge MMFF94 Partial 2 1.7.6 OEChem openeye.com 2012.05.21 29 1 1.51 10 -0.7 14 0.34 15 0.34 19 0.28 2 -0.34 20 0.28 23 0.14 24 -0.28 25 0.45 28 -0.29 29 -0.14 3 -0.68 30 0.34 31 -0.14 32 0.54 4 -0.68 5 -0.57 54 0.4 55 0.15 56 0.4 57 0.15 6 -0.55 60 0.15 61 0.5 62 0.5 7 -0.57 8 -0.77 9 -0.77 Count Effective Rotor 7 1.7.6 OEChem ncbi.nlm.nih.gov 2012.02.08 5.4 Features Pharmacophore 2 ImplicitMillsDean merged 1.8.1 OEShape openeye.com 2012.05.21 14 1 10 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 4 1 8 9 10 anion 5 11 12 15 16 18 rings 6 11 12 13 14 17 19 rings 6 13 14 20 21 23 24 rings 6 20 24 28 29 31 32 rings 32 8 7 1 0 0 0 0 1 6