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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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90241 49967872 1 ClO5N6C38H51 AB5C6D38E51 -237.41 6.99 -9.26 -0.62 0
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90242 49967877 2 N3O3C17H23 A3B3C17D23 -254.27 9.43 -8.36 -0.14 0
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90243 49967886 1 O5N6C39H48 A5B6C39D48 -185.09 12.15 -8.7 -0.55 0
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90244 49967887 1 FO5N6C39H47 AB5C6D39E47 -232.37 9.32 -8.77 -0.78 0
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90245 49967888 1 FO5N6C39H47 AB5C6D39E47 -230.18 3.97 -8.43 -0.51 0
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90246 49967894 1 F3O4N5C32H40 A3B4C5D32E40 -324.21 8.3 -8.88 -0.63 0
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90247 49967919 2 N3O3C20H25 A3B3C20D25 -225.98 11.61 -8.68 -0.49 0
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90248 49967934 1 O4N5C33H45 A4B5C33D45 -173.38 13.3 -8.72 -0.27 0
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90249 49967949 1 O5N6C39H48 A5B6C39D48 -187.44 4.04 -8.26 -0.2 0
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90250 49967959 1 O5N6C34H46 A5B6C34D46 -213.34 10.22 -8.83 -0.61 0
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90251 49967974 1 ClO5N6C35H45 AB5C6D35E45 -207.71 8.16 -8.99 -0.53 0
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90252 49967978 1 ClO5N6C36H47 AB5C6D36E47 -220.71 10.17 -8.85 -0.43 0
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90253 49967985 1 FO5N6C37H43 AB5C6D37E43 -217.19 4.02 -8.8 -0.67 0
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90254 49968005 1 ClO5N6C33H43 AB5C6D33E43 -206.52 13.56 -8.83 -0.61 0
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90255 49968009 1 ClO5N6C35H47 AB5C6D35E47 -218.15 9.71 -8.85 -0.79 0
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90256 49968020 1 FO5N6C38H45 AB5C6D38E45 -228.98 1.97 -8.87 -0.36 0
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90257 49968022 1 FN6O6C38H45 AB6C6D38E45 -256.82 9.31 -8.26 -0.56 0
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90258 49968023 1 Cl2O4N5C31H39 A2B4C5D31E39 -179.83 8.89 -8.88 -0.73 0
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90260 49968035 1 ClO5N6C35H47 AB5C6D35E47 -227.92 5.83 -8.95 -0.54 0
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90261 49968037 1 ClO5N6C35H47 AB5C6D35E47 -211.62 5.68 -8.94 -0.63 0
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90262 49968061 1 O5N6C34H46 A5B6C34D46 -216.57 6.6 -8.72 -0.7 0
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90263 49968089 1 BrO4N5C32H42 AB4C5D32E42 -175.61 3.66 -8.89 -0.3 0
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90264 49968091 1 FO4N5C31H40 AB4C5D31E40 -209.16 5.13 -8.89 -0.24 0
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90265 49968106 1 FO5N6C38H45 AB5C6D38E45 -220.69 3.34 -8.97 -0.36 0
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90266 49968110 1 O5N6C39H48 A5B6C39D48 -188.55 6.15 -8.65 -0.32 0