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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80799 49845856 1 TlO4C17H17 AB4C17D17 -17.83 7.71 -5.93 -3.23 0
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80800 49845857 1 O4C17H17 A4B17C17 -102.51 1.15 0.0 0.0 1
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80801 49845858 1 TlO4C18H19 AB4C18D19 -19.62 9.03 -5.82 -3.4 0
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80802 49845920 2 ON2H6C11 AB2C6D11 67.39 0.58 -8.48 -1.89 0
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80803 49845978 2 NO2C6H6 AB2C6D6 -108.47 4.06 -9.44 -1.04 0
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80804 49845979 2 NO2C6H6 AB2C6D6 -121.84 4.96 -9.56 -0.91 0
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80805 49845980 2 NO2C6H6 AB2C6D6 -110.81 6.41 -9.3 -1.09 0
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80806 49845981 1 SN2O3C13H14 AB2C3D13E14 -84.6 6.56 -9.04 -0.75 0
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80807 49845982 1 N2O3C14H16 A2B3C14D16 -93.3 8.1 -9.46 -0.55 0
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80808 49846017 1 NO5H17C20 AB5C17D20 -97.93 7.07 -8.24 -1.22 0
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80809 49846046 1 SO3C18H26 AB3C18D26 -116.55 10.17 -9.7 0.0 0
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80810 49846134 1 SN5O5C28H43 AB5C5D28E43 -146.96 4.39 -8.79 -1.04 0
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80811 49846149 1 ClN3O5C16H18 AB3C5D16E18 -152.77 4.98 -9.67 -1.41 0
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80812 49846175 1 FO6C40H61 AB6C40D61 -363.27 7.04 -9.61 -0.47 0
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80813 49846184 1 NaF3O3N5H19C20 AB3C3D5E19F20 -211.39 3.07 -9.79 -0.9 0
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80814 49846187 1 SF2O3N5H19C24 AB2C3D5E19F24 -54.93 5.83 -9.94 -1.64 0
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80815 49846188 1 NaSF2O3N5H22C26 ABC2D3E5F22G26 -131.18 16.93 -8.91 -1.74 0
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80816 49846211 1 SF2O4N5C36H43 AB2C4D5E36F43 -208.06 6.65 -8.88 -0.46 0
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80817 49846212 1 PO4N5C26H42 AB4C5D26E42 -148.97 3.44 -8.76 -1.06 0
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80818 49846231 1 SN2O6H22C23 AB2C6D22E23 -142.66 2.31 -9.15 -1.44 0
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80819 49846232 1 SCl2N2O6H18C19 AB2C2D6E18F19 -179.92 4.89 -9.59 -1.64 0
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80820 49846233 1 ClSN2O7C20H21 ABC2D7E20F21 -210.18 4.36 -9.33 -1.38 0
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80821 49846253 1 OS2N4C19H20 AB2C4D19E20 39.23 9.98 -8.43 -0.96 0
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80822 49846263 1 FN7O10C46H58 AB7C10D46E58 -431.75 6.11 -8.08 -0.1 0
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80824 49846355 1 S2O4N7C32H41 A2B4C7D32E41 -67.07 7.26 -9.08 -0.78 0