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-1.5894 3.4924 -2.1836 1.5185 1.7054 -0.154 0.5589 -0.7623 1.2879 1.6739 -0.6544 0.3354 1.5031 -0.5403 -0.9518 2.2708 -0.2247 0.4511 -1.0566 -0.0057 -1.4598 0.7571 -1.7113 -0.6288 -0.2761 -1.3171 -0.9249 -0.1372 -0.7084 -0.0418 0.1047 1.831 2.436 -1.6867 -0.0031 1.3612 2.5281 2.4733 1.6023 0.7173 -1.7916 -0.3883 1.0596 -0.485 -2.322 -2.5961 -2.0176 0.1238 -1.0247 -1.5825 -2.096 3.8561 -1.9406 -0.2197 -0.0646 -0.0819 -0.7325 1.0328 0.128 Conformer ID 11 2.1 PubChem ncbi.nlm.nih.gov 2012.05.21 039662F200000001 Energy MMFF94 NoEstat 7 2.1.0 Szybki TK OpenEye Scientific Software 2019.06.18 83.6015 Feature Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 50.752 Fingerprint Shape 2 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 10290309 65 17834695051579899724 11045515 52 18191871110960501989 11115154 58 18123186810619014621 11578080 2 17533247321005219245 11763715 3 17979938020335988934 12293681 160 17681553628056934802 12597179 24 18045216291558696873 12788726 201 17612033672749591218 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18264481802192100269 5265222 85 17685506733822559908 54076057 127 18338238275951374443 57527295 17 18268732600434285653 6004065 56 18410852148978045246 6669772 16 18197219358919795892 7399639 24 17841689848029195114 9981440 41 18049999201436087393 Shape Multipoles 8 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 618.88 10.53 6.5 2.02 10.61 2.39 1.16 -5.32 -4.65 -16.04 -0.55 1.4 1 2.87 Shape Self Overlap 7 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 1328.039 Shape Volume 7 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 344.2 Conformer RMSD 7 2012.05.21 1 Diverse Conformer ID List 6 2012.05.21 1 7 21 18 5 20 14 15 11 6 17 16 4 10 12 13 19 9 8 2 3 Charge MMFF94 Partial 2 2.3.0 OEChem OpenEye Scientific Software 2019.06.18 34 1 -0.34 10 -0.73 11 0.3 13 0.44 14 0.06 15 0.3 16 -0.03 17 0.57 18 0.28 19 0.06 2 -0.34 20 0.57 23 -0.15 24 0.62 27 0.01 28 -0.15 29 0.3 3 -0.34 30 -0.15 31 1.02 32 -0.29 33 0.14 4 -0.68 47 0.15 5 -0.57 52 0.37 53 0.15 54 0.4 57 0.15 58 0.15 6 -0.57 7 -0.57 8 -0.66 9 -0.47 Count Effective Rotor 7 2.3.0 OEChem ncbi.nlm.nih.gov 2019.06.18 9.8 Features Pharmacophore 2 ImplicitMillsDean merged 2.0.4 Shape TK OpenEye Scientific Software 2019.06.18 10 1 10 donor 1 33 hydrophobe 1 4 acceptor 1 4 donor 1 5 acceptor 1 6 acceptor 1 7 acceptor 5 19 21 22 25 26 rings 6 9 16 23 24 27 28 rings 8 8 9 11 12 13 14 15 16 rings 33 4 4 0 1 1 0 0 1 2