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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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78727 49703954 1 SO2N3C19H19 AB2C3D19E19 4.81 5.85 -9.25 -0.94 0
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78728 49703955 1 N3O4H21C22 A3B4C21D22 -73.3 3.03 -8.22 -1.06 0
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78729 49703956 1 N3O4H19C21 A3B4C19D21 -64.08 4.54 -8.34 -1.14 0
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78730 49703961 1 SO2N4C18H18 AB2C4D18E18 12.56 6.3 -8.88 -1.13 0
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78731 49703974 1 O2N3C18H23 A2B3C18D23 -42.65 3.34 -9.09 -0.99 0
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78732 49703985 1 N3O3C22H23 A3B3C22D23 -40.07 7.02 -8.94 -0.99 0
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78733 49703987 1 O2N3H21C22 A2B3C21D22 5.86 6.87 -8.48 -1.01 0
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78734 49703988 1 O2N3C23H23 A2B3C23D23 0.22 6.93 -8.55 -0.98 0
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78735 49703992 1 F2O2N3H17C20 A2B2C3D17E20 -89.82 6.21 -9.07 -1.11 0
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78736 49703993 1 F2O2N3H17C20 A2B2C3D17E20 -92.0 7.58 -9.03 -1.25 0
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78737 49703994 2 ON2C12H14 AB2C12D14 -9.21 5.8 -7.65 -0.94 0
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78738 49703998 1 N3O4C22H23 A3B4C22D23 -76.32 4.53 -8.18 -0.95 0
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78739 49704001 2 N2O2H9C10 A2B2C9D10 -6.53 1.99 -9.51 -1.4 0
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78740 49704019 1 FO2N3H18C20 AB2C3D18E20 -48.93 6.16 -8.99 -1.17 0
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78741 49704029 1 O2N3H21C24 A2B3C21D24 20.17 6.28 -8.46 -1.09 0
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78742 49704030 1 O2N3C21H21 A2B3C21D21 -10.65 3.81 -8.64 -1.05 0
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78743 49704032 1 O2N3C22H23 A2B3C22D23 -13.15 6.74 -8.66 -1.08 0
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78744 49718104 1 FNSO4C13H18 ABCD4E13F18 -199.18 6.58 -9.7 -0.73 0
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78745 49718107 1 ClNSO3C13H18 ABCD3E13F18 -135.46 4.9 -9.66 -0.81 0
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78746 49718129 1 NSO5C14H21 ABC5D14E21 -202.13 5.29 -9.65 -0.38 0
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78747 49718173 1 F2N2O3C14H16 A2B2C3D14E16 -210.47 3.58 -9.33 -0.74 0
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78748 49718175 1 N3O4C14H25 A3B4C14D25 -189.82 1.56 -9.01 0.0 0
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78749 49718176 1 N2O3C17H24 A2B3C17D24 -144.69 1.77 -8.87 -0.09 0
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78750 49718177 1 N2O3C17H24 A2B3C17D24 -139.79 2.09 -8.79 -0.45 0
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78751 49718178 2 NO2C8H11 AB2C8D11 -168.47 1.15 -8.44 -0.35 0