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-1.4948 0.3414 0.2712 1.1979 0.0242 0.2899 0.164 0.1715 -0.2714 -0.3608 -1.2467 -1.3361 0.0526 -1.7791 0.0983 -1.3042 -1.8839 -0.7599 1.9077 2.3094 0.6148 -1.3158 -0.804 2.7851 1.6466 -0.1649 -2.2599 -1.544 0.7932 -0.6869 0.9097 0.3862 -0.0659 0.408 -2.6888 -0.0232 -1.5916 -1.7508 0.0849 -0.9166 0.892 -2.5386 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 0454F03900000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 96.4612 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 61.073 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10411042 1 18194687188247653111 10940486 97 18261687973627268452 11796584 16 18339078195017649178 11991303 11 18041274362622557047 12422481 6 18128835186576997147 12788726 201 18259982703747841874 13402501 40 18273221910811444390 13540713 4 18199736089638969136 1361 87 17771086920764869126 13631057 29 18339932614426414814 13690498 29 18340214080428459134 13785724 45 18122634018295117547 14251757 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5309563 4 18195528318637416031 56633871 153 18268722782566763187 59755656 215 18410849928806552695 59755656 520 18128543656923597417 613672 6 18124574625709759631 6823239 73 18272366482491208754 70251023 43 17975136753831379801 9709674 26 18343012298823835816 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 618.72 12.85 5.69 1.41 15.46 1.31 -0.19 9.07 4.59 -11.14 0.3 1.41 -0.6 2.41 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1357.628 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 337.6 Conformer RMSD 7 2012.11.26 0.8 Diverse Conformer ID List 6 2012.11.26 1 84 83 60 18 46 74 73 98 99 78 67 76 97 19 15 104 101 69 51 100 105 96 91 56 49 20 7 66 45 9 53 94 87 23 82 80 89 93 28 3 77 57 79 103 81 35 10 8 21 26 61 42 31 25 86 40 64 29 55 13 71 72 11 65 90 59 70 36 27 32 50 24 88 48 33 62 5 30 47 54 85 68 75 41 44 43 17 6 14 58 16 52 92 38 34 102 95 4 63 12 2 37 22 39 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 38 1 -0.19 10 -0.18 13 0.45 14 -0.33 15 0.3 16 0.3 18 -0.15 19 0.28 2 -0.68 20 0.27 21 -0.15 22 0.54 23 -0.15 24 -0.15 25 0.08 26 0.09 27 0.19 28 -0.15 29 -0.15 3 -0.57 30 -0.15 31 0.28 32 -0.15 4 -0.36 44 0.27 5 -0.81 50 0.15 51 0.15 52 0.15 53 0.4 54 0.15 55 0.15 56 0.15 6 -0.66 60 0.15 7 0.03 8 0.18 9 0.27 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 5 cation 1 7 cation 1 7 donor 5 7 10 14 17 18 rings 6 17 18 21 23 24 25 rings 6 26 27 28 29 30 32 rings 6 5 8 9 10 13 14 rings 6 6 8 11 12 15 16 rings 32 1 0 1 0 0 0 0 1 1