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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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78752 49718180 2 NO2C8H11 AB2C8D11 -163.21 0.91 -8.9 -0.23 0
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78753 49718181 2 NO2C8H11 AB2C8D11 -164.59 1.08 -8.91 -0.06 0
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78754 49718182 2 NO2C8H11 AB2C8D11 -163.45 2.32 -9.09 -0.27 0
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78755 49718183 2 NO2C8H11 AB2C8D11 -164.93 1.5 -8.69 -0.56 0
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78756 49718184 1 N3O5C14H17 A3B5C14D17 -127.26 9.09 -9.86 -1.51 0
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78757 49718185 1 N3O5C14H17 A3B5C14D17 -125.78 4.33 -9.73 -1.56 0
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78758 49718186 1 SN2O3C15H20 AB2C3D15E20 -119.65 3.46 -8.74 -0.7 0
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78759 49718187 1 SN2O3C15H20 AB2C3D15E20 -122.21 3.28 -8.88 -0.65 0
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78760 49718188 1 ClN2O3C15H19 AB2C3D15E19 -133.53 2.06 -9.56 -0.39 0
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78761 49718189 1 ClN2O3C15H19 AB2C3D15E19 -137.33 3.37 -9.21 -0.77 0
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78762 49718191 1 ClN2O3C15H19 AB2C3D15E19 -137.52 0.61 -9.11 -0.79 0
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78763 49718192 1 ClN2O3C15H19 AB2C3D15E19 -136.33 2.6 -9.18 -0.82 0
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78764 49718199 1 N3O5C15H19 A3B5C15D19 -131.62 2.7 -9.5 -1.58 0
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78765 49718200 1 N3O5C15H19 A3B5C15D19 -130.79 8.03 -9.93 -1.53 0
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78766 49718202 1 ClN3O3C15H16 AB3C3D15E16 -93.61 1.92 -9.9 -1.16 0
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78767 49718203 1 N2O5C16H22 A2B5C16D22 -196.04 5.32 -8.3 -0.3 0
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78768 49718204 1 N2O5C16H22 A2B5C16D22 -201.02 2.28 -8.36 -0.27 0
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78769 49718205 1 N2O5C16H22 A2B5C16D22 -188.86 4.26 -8.31 -0.49 0
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78770 49718207 1 ClN2O4C15H19 AB2C4D15E19 -158.42 4.35 -8.83 -0.74 0
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78771 49718209 1 N2F3O3C15H17 A2B3C3D15E17 -284.58 6.41 -9.62 -1.05 0
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78772 49718210 1 N2F3O3C15H17 A2B3C3D15E17 -282.97 5.57 -9.51 -0.86 0
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78773 49718213 2 NOC7H10 ABC7D10 -96.1 2.64 -8.77 0.24 0
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78774 49718215 1 FN2O2C13H17 AB2C2D13E17 -132.09 2.43 -8.92 -0.08 0
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78775 49718666 1 O3N4C18H18 A3B4C18D18 -34.62 6.32 -8.42 -1.34 0
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78776 49718667 1 O3N4C18H18 A3B4C18D18 -33.02 3.46 -8.35 -1.16 0