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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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229015 87566783 1 FSO3N5C22H26 ABC3D5E22F26 -46.22 5.47 -9.22 -0.91 0
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229016 87566785 1 N2O5C8H14 A2B5C8D14 -160.7 1.65 -9.61 -0.7 0
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229017 87566786 1 O2N3F7H22C25 A2B3C7D22E25 -381.27 6.24 -9.8 -0.97 0
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229018 87566787 1 O2N3F7H22C25 A2B3C7D22E25 -381.01 4.64 -9.63 -0.97 0
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229019 87566792 1 SO4N5H27C30 AB4C5D27E30 3.06 5.35 -8.11 -0.83 0
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229020 87566793 1 Si2N5O6C52H59 A2B5C6D52E59 -123.08 8.81 -7.65 -0.71 0
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229021 87566795 1 N3F6C23H25 A3B6C23D25 -271.65 5.02 -8.66 -0.82 0
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229022 87566796 1 N3F6C23H23 A3B6C23D23 -250.44 9.06 -8.65 -1.22 0
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229023 87566797 1 BrPC30H64 ABC30D64 -69.9 116.98 -4.57 -2.67 0
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229024 87566798 1 PC30H63 AB30C63 -144.19 1.89 -9.27 2.88 0
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229025 87566799 1 FN2O2S2C22H23 AB2C2D2E22F23 -39.77 2.06 -9.06 -1.01 -2
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229026 87566800 2 FN7O10C46H55 AB7C10D46E55 -514.31 34.97 -7.45 -2.93 0
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229027 87566803 2 FN7O10C46H60 AB7C10D46E60 -892.98 7.65 -8.54 -0.47 0
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229028 87566804 1 FN7O10C46H60 AB7C10D46E60 -439.44 6.91 -8.45 -0.27 0
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229029 87566806 1 PBr2F2O3C12H15 AB2C2D3E12F15 -286.28 2.25 -9.83 -1.15 0
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229030 87566807 1 PF2N2O6C27H29 AB2C2D6E27F29 -356.54 6.06 -9.43 -0.35 0
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229031 87566810 1 N7O8C51H61 A7B8C51D61 -266.17 14.83 -8.09 -0.45 0
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229032 87566811 1 PdN2C22H30 AB2C22D30 89.72 2.53 -6.93 0.49 0
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229033 87566812 1 N3C12H25 A3B12C25 12.7 4.07 -8.27 1.16 0
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229034 87566817 1 FSO2N3C22H24 ABC2D3E22F24 -44.03 4.3 -8.99 -0.53 0
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229035 87566818 1 ClFSO2N4C23H28 ABCD2E4F23G28 -55.07 6.32 -8.85 -0.31 0
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229036 87566820 1 SF3N3O5C18H18 AB3C3D5E18F18 -310.3 2.67 -9.62 -1.89 1
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229037 87566821 1 ClSF3N4O4C26H29 ABC3D4E4F26G29 -164.26 3.55 0.0 0.0 1
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229038 87566824 1 NO3C11H18 AB3C11D18 -95.74 7.97 0.0 0.0 0
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229039 87566827 1 ClFSN3O3C24H29 ABCD3E3F24G29 -125.48 6.7 -8.62 -0.12 0