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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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335840 127254702 1 F3O3N4C19H21 A3B3C4D19E21 -255.76 6.69 -9.15 -0.75 0
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335841 127254703 1 BrN2O5H27C35 AB2C5D27E35 14.61 8.25 -8.58 -0.71 0
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335842 127254704 1 ClFN3O4C21H21 ABC3D4E21F21 -176.75 7.9 -9.01 -0.61 0
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335843 127254705 1 N2O5C24H24 A2B5C24D24 -117.78 3.8 -8.39 -0.82 0
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335844 127254706 1 N4O4C19H26 A4B4C19D26 -138.32 4.22 -8.27 0.1 0
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335845 127254707 1 NO2C25H29 AB2C25D29 -34.21 2.16 -9.04 -1.46 0
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335846 127254708 1 Cl2O3N4C18H20 A2B3C4D18E20 -11.23 16.41 -7.64 -1.32 1
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335847 127254709 1 ClO3N4C18H20 AB3C4D18E20 -33.3 7.41 0.0 0.0 0
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335848 127254710 1 ClN4O6C21H21 AB4C6D21E21 -137.16 6.83 -9.58 -1.29 0
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335849 127254711 1 ClO3N4C19H25 AB3C4D19E25 -117.0 4.76 -8.64 -0.05 0
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335850 127254712 1 N3O3C25H25 A3B3C25D25 -77.03 3.05 -8.09 -0.25 0
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335851 127254713 1 SO3N6C17H24 AB3C6D17E24 -42.77 5.54 -8.78 -0.8 0
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335852 127254714 1 O3N4C18H20 A3B4C18D20 -47.07 6.65 -8.51 -0.51 0
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335853 127254715 1 ON4C21H26 AB4C21D26 19.66 4.97 -8.58 0.07 0
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335854 127254716 1 ClNO3H30C37 ABC3D30E37 -4.53 6.15 -8.43 -1.3 0
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335855 127254717 1 OSN3C16H21 ABC3D16E21 -6.2 3.39 -8.53 -0.32 0
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335856 127254718 1 N3O3C13H19 A3B3C13D19 -85.86 10.41 -8.48 0.16 0
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335857 127254719 1 OF3N7H10C12 AB3C7D10E12 -72.82 1.94 -9.42 -1.17 0
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335858 127254720 1 O2N5C22H27 A2B5C22D27 16.28 6.15 -8.49 -0.41 0
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335859 127254721 1 BrNO3H22C33 ABC3D22E33 39.34 5.05 -8.46 -1.31 0
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335860 127254722 1 NO6C27H27 AB6C27D27 -130.23 4.43 -8.95 -0.74 0
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335861 127254723 1 NF3O5H24C36 AB3C5D24E36 -158.05 8.11 -8.52 -1.54 0
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335862 127254724 1 SO3N6C13H14 AB3C6D13E14 9.82 6.52 -8.99 -1.78 0
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335863 127254725 1 O3N5C23H23 A3B5C23D23 -26.81 6.07 -8.61 -1.11 0
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335864 127254726 1 O3N5C20H23 A3B5C20D23 -14.39 5.1 -8.32 -1.1 0
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335865 127254727 1 O3N4C20H24 A3B4C20D24 -100.2 10.17 -8.88 -0.45 0
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335866 127254728 1 O2F3N3C22H24 A2B3C3D22E24 -201.84 9.85 -8.74 -0.61 0
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335868 127254730 1 N3O3C23H29 A3B3C23D29 -70.71 4.42 -8.4 0.05 0
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335869 127254731 1 NO5H29C36 AB5C29D36 4.62 7.16 -8.15 -1.18 0
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335870 127254732 1 SN4O4C24H24 AB4C4D24E24 -112.1 3.25 -9.08 -1.29 0
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335871 127254733 1 OSN5H21C24 ABC5D21E24 96.91 10.77 -8.18 -0.55 0
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335872 127254734 2 ClNO2C20H23 ABC2D20E23 -122.27 7.29 -8.58 0.01 0
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335873 127254735 1 ON5C21H27 AB5C21D27 30.25 8.33 -8.58 -1.0 0
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335874 127254736 1 ON3C16H21 AB3C16D21 -4.7 5.13 -8.66 -0.47 0
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335875 127254737 1 O3N4C14H18 A3B4C14D18 -63.3 4.9 -8.54 -0.62 0
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335876 127254738 1 O3N4C23H26 A3B4C23D26 -53.73 3.57 -8.81 -0.17 0
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335877 127254739 1 O3N5C18H25 A3B5C18D25 -37.23 7.31 -8.54 -0.21 0
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335878 127254740 1 ClNF2O3H20C33 ABC2D3E20F33 -67.07 3.58 -9.03 -1.39 0
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335879 127254741 1 N3O3C21H31 A3B3C21D31 -151.38 7.8 -9.48 -0.69 0
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335880 127254742 1 N3O4C25H29 A3B4C25D29 -98.85 5.37 -8.24 -0.29 0
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335882 127254744 1 O3N5H19C22 A3B5C19D22 69.74 15.24 -8.22 -1.28 0
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335883 127254745 2 N2O2C6H7 A2B2C6D7 -70.59 3.24 -8.76 -0.99 0
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335884 127254746 1 ClN4O4H23C24 AB4C4D23E24 -82.28 2.72 -9.0 -0.84 0
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335885 127254747 1 NCl2O3H11C13 AB2C3D11E13 -110.22 4.63 -9.49 -0.96 0
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335886 127254748 1 SO3N4C20H34 AB3C4D20E34 -124.45 6.58 -8.7 -0.2 0
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335887 127254749 1 O3N5C19H23 A3B5C19D23 -87.35 2.05 -8.97 -0.29 0
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335888 127254750 1 N2O3C20H26 A2B3C20D26 -87.38 6.08 -8.62 0.4 0
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335889 127254751 1 SO2N4C15H22 AB2C4D15E22 -59.46 5.08 -8.7 -0.1 0
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335890 127254752 1 N3O4H19C21 A3B4C19D21 -99.97 1.9 -9.32 -1.09 0
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335891 127254753 1 F3N3O3H18C20 A3B3C3D18E20 -223.88 8.48 -8.3 -0.48 0