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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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161793 57392698 1 OCl2N3H19C23 AB2C3D19E23 28.29 1.22 -9.04 -1.02 0
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161795 57392708 1 N3O4H19C23 A3B4C19D23 -78.33 3.3 -8.89 -1.43 0
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161797 57392711 1 F3N3O3H14C19 A3B3C3D14E19 -180.43 6.88 -9.8 -1.18 0
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161798 57392712 1 NF3O4H20C25 AB3C4D20E25 -260.5 9.54 -9.75 -0.88 0
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161799 57392715 1 SN2O6C17H24 AB2C6D17E24 -199.24 6.97 -9.27 -0.63 0
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161801 57392720 1 ClPO5N6C13H20 ABC5D6E13F20 -196.68 5.54 -9.44 -0.59 0
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161803 57392726 1 FSN2O4C26H35 ABC2D4E26F35 -180.36 5.35 -8.61 -0.54 0
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161804 57392729 1 SF3O3N4C20H27 AB3C3D4E20F27 -265.68 10.49 -9.48 -0.68 1
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161805 57392730 1 OSN2C27H29 ABC2D27E29 50.42 3.26 0.0 0.0 1
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161806 57392732 1 SN2H31C32 AB2C31D32 118.56 3.62 0.0 0.0 0
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161808 57392740 2 O2C12H13 A2B12C13 -114.33 2.5 -9.1 -0.75 0
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161809 57392741 1 FNO4H22C24 ABC4D22E24 -112.01 3.93 -8.76 -0.65 0
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161810 57392743 1 FSO3N4H13C14 ABC3D4E13F14 -107.65 4.64 -9.51 -0.99 0
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161812 57392748 1 N2O11C44H52 A2B11C44D52 -379.48 6.3 -8.96 -1.44 0
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161813 57392757 2 FN2O2H9C12 AB2C2D9E12 -171.9 11.26 -8.85 -1.54 0
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161814 57392759 1 SF2N4O5H16C22 AB2C4D5E16F22 -206.79 12.36 -9.21 -1.66 0
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161815 57392760 1 F2S2N5O5H17C25 A2B2C5D5E17F25 -170.05 13.78 -8.88 -1.67 0
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161816 57392763 1 F2N3O4H17C23 A2B3C4D17E23 -167.57 9.08 -8.1 -1.4 0
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161818 57392767 1 F2N2O3H18C19 A2B2C3D18E19 -122.62 6.51 -8.41 -0.52 0
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161819 57392769 1 ClO3N4H23C24 AB3C4D23E24 -43.9 6.72 -8.93 -0.66 0
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161821 57392777 1 ClFN4O4H18C24 ABC4D4E18F24 -134.2 10.73 -8.86 -1.53 0
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161822 57392779 1 ClNO2C18H18 ABC2D18E18 -46.0 2.83 -9.34 -0.61 0
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161823 57392780 1 NO2F4C24H27 AB2C4D24E27 -267.16 5.73 -8.44 -0.24 0
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161825 57392787 1 N3O6H23C30 A3B6C23D30 -24.22 11.03 -9.26 -1.49 0
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161826 57392789 2 N3O4H14C16 A3B4C14D16 -157.38 4.76 -9.01 -0.83 0
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161828 57392794 1 ClO3N7C9H12 AB3C7D9E12 -72.59 3.24 -8.59 -0.68 0
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161829 57392799 1 FNC13H16 ABC13D16 13.73 1.86 -9.19 0.47 0
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161830 57392801 1 NO3C10H17 AB3C10D17 -147.64 3.01 -9.6 0.35 0
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161831 57392804 1 N3O3F7H28C30 A3B3C7D28E30 -444.13 1.55 -9.8 -1.32 0
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161832 57392805 1 OCl3N4C7H7 AB3C4D7E7 -42.43 9.58 -9.9 -1.5 0
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161833 57392807 1 O2N5C20H23 A2B5C20D23 18.43 5.82 -8.77 -1.01 0
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161834 57392809 1 SF2N5O5C37H39 AB2C5D5E37F39 -203.85 7.61 -8.89 -0.99 0
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161835 57392811 1 N2O2H14C15 A2B2C14D15 -25.05 2.11 -9.69 -0.9 0
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161836 57392812 1 N3O3H19C24 A3B3C19D24 -2.17 4.97 -9.49 -0.92 0
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161837 57392813 1 O5C16H18 A5B16C18 -188.04 2.89 -8.62 -0.05 0
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161838 57392814 1 O5C19H24 A5B19C24 -180.46 2.13 -8.4 0.1 0
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161839 57392817 1 ClF2O2H11C15 AB2C2D11E15 -146.91 2.01 -9.37 -1.47 0
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161841 57392819 1 ClFO3C18H18 ABC3D18E18 -121.11 3.54 -9.37 -0.56 0
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161842 57392820 1 FO3H17C18 AB3C17D18 -91.53 3.35 -9.55 -0.69 0
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161843 57392821 1 SF2N3O5C27H41 AB2C3D5E27F41 -337.3 7.87 -9.41 -0.46 0
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161844 57392823 1 ClON2C25H31 ABC2D25E31 -18.42 4.73 -8.74 -0.34 0
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161846 57392829 1 FNO4H30C31 ABC4D30E31 -115.85 5.84 -8.55 -0.64 0
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161847 57392831 1 ClNO3C29H32 ABC3D29E32 -73.57 4.96 -8.99 -0.56 0
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161848 57392832 1 ClNO4C30H36 ABC4D30E36 -151.01 5.76 -9.23 -0.44 0
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161849 57392838 1 SN3O6C11H13 AB3C6D11E13 -63.01 5.36 -10.04 -2.44 0
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161850 57392842 1 ClFN4O4C32H34 ABC4D4E32F34 -129.56 6.65 -9.18 -0.74 0
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161851 57392843 1 ClFN4O4C34H40 ABC4D4E34F40 -134.98 5.4 -8.85 -0.34 0
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161852 57392845 1 ClF2N4O4C34H39 AB2C4D4E34F39 -184.17 3.77 -8.74 -0.64 0
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161853 57392849 1 FN2O2C20H27 AB2C2D20E27 -123.85 4.33 -7.96 0.13 0
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161854 57392855 1 SN2O6C20H22 AB2C6D20E22 -204.86 4.52 -8.69 -1.13 0
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161855 57392859 1 NO5C21H21 AB5C21D21 -154.92 6.06 -8.61 -1.47 0
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161856 57392861 1 F2N3O5C27H35 A2B3C5D27E35 -284.99 3.65 -8.56 -0.56 0
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161857 57392864 1 FN5H14C17 AB5C14D17 74.34 5.6 -8.19 -0.43 0
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161858 57392868 1 NO4C19H19 AB4C19D19 -67.96 4.03 -8.43 -0.69 0
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161859 57392870 1 N2O5C22H24 A2B5C22D24 -105.86 8.0 -8.32 -0.39 0
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161860 57392871 1 SO3N4C23H26 AB3C4D23E26 -53.44 5.83 -9.01 -0.55 0
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161861 57392872 1 SO3N4C24H28 AB3C4D24E28 -46.52 7.54 -9.07 -0.57 0
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161862 57392874 1 ClNSO4C19H20 ABCD4E19F20 -130.61 7.78 -9.9 -0.83 0
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161863 57392880 1 SN2O6C19H20 AB2C6D19E20 -135.93 5.72 -9.25 -0.47 0
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161864 57392887 1 O4C15H18 A4B15C18 -156.71 8.64 -10.24 -0.5 0
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161865 57392889 1 OF3N5C18H20 AB3C5D18E20 -137.56 5.82 -8.82 -0.82 0
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161866 57392890 1 N2O3C22H30 A2B3C22D30 -85.63 2.13 -8.43 0.2 0
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161868 57392893 1 SF2O5N7C32H33 AB2C5D7E32F33 -187.83 10.73 -8.63 -1.17 0
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161869 57392895 1 FSN3O5H26C31 ABC3D5E26F31 -149.11 9.25 -9.36 -1.56 0
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161870 57392896 1 FN4O4H27C29 AB4C4D27E29 -142.33 8.66 -9.31 -1.2 0
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161871 57392899 1 ON2C11H12 AB2C11D12 55.5 2.47 -8.81 -0.14 0
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161872 57392904 1 N3O4H15C16 A3B4C15D16 -51.43 4.58 -8.79 -1.19 0
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161873 57392907 1 N3O3C9H11 A3B3C9D11 -30.93 7.73 -9.26 -1.5 0
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161874 57392908 1 ClN5C17H18 AB5C17D18 108.11 0.84 -9.31 -0.48 0
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161876 57392911 1 FON6C24H25 ABC6D24E25 29.96 8.9 -8.23 -0.85 0
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161877 57392912 1 BrClNOSH11C17 ABCDEF11G17 50.3 5.04 -9.4 -1.24 0
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161880 57392922 1 Cl2N4O4C33H38 A2B4C4D33E38 -123.18 9.57 -8.78 -0.3 0
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161881 57392933 1 Cl4N8O8C55H84 A4B8C8D55E84 -481.75 11.9 -9.33 -0.66 0
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161883 57392936 1 F2N4O5C31H40 A2B4C5D31E40 -280.31 7.1 -8.49 -0.55 0
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161884 57392937 1 F2N3O4C29H39 A2B3C4D29E39 -260.03 5.53 -8.77 -0.66 0
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161885 57392943 1 SO3N5C14H17 AB3C5D14E17 11.35 12.4 -9.3 -1.48 0
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161886 57392947 2 ON2C9H11 AB2C9D11 9.87 3.31 -8.05 -1.18 0
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161887 57392948 1 O2N4C21H28 A2B4C21D28 -15.57 2.52 -7.87 -1.06 0
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161888 57392953 1 O3N4H42C48 A3B4C42D48 144.81 3.97 -8.71 -0.47 0
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161889 57392955 1 ClN2O2F3H14C16 AB2C2D3E14F16 -214.76 6.03 -8.68 -0.99 0
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161892 57392976 1 NF2O2H15C20 AB2C2D15E20 -101.31 5.91 -9.22 -0.46 0
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161893 57392978 1 SN2O2H14C17 AB2C2D14E17 2.14 3.75 -9.01 -0.44 0
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161894 57392982 1 SF2N2O3H18C28 AB2C2D3E18F28 -68.75 5.76 -8.47 -1.0 0
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161895 57392984 1 ClN4H11C16 AB4C11D16 95.18 6.76 -8.44 -1.14 0
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161896 57392985 1 ClN3C16H16 AB3C16D16 49.35 6.14 -8.55 -1.11 0
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161897 57392986 1 ClO2N4H19C22 AB2C4D19E22 78.99 4.67 -8.82 -1.73 0
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161899 57392992 1 O2N4C25H30 A2B4C25D30 -36.14 4.18 -8.76 -0.62 0
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161902 57393006 1 SN2O5H22C24 AB2C5D22E24 -120.51 7.32 -8.69 -0.88 0
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161903 57393012 1 SN2O4H24C31 AB2C4D24E31 -38.97 6.96 -8.17 -0.92 0
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161904 57393014 1 O4N9C29H45 A4B9C29D45 -126.48 3.63 -9.37 -1.12 0
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161905 57393021 1 BrSO2N4H15C17 ABC2D4E15F17 56.52 8.84 -8.68 -0.94 0
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161906 57393023 1 OF2N3H13C20 AB2C3D13E20 -12.83 4.03 -8.91 -0.99 0
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161907 57393024 1 N2H16C17 A2B16C17 55.75 1.65 -8.28 -0.56 0
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161908 57393030 1 N5O5C23H33 A5B5C23D33 -135.15 9.01 -8.54 -1.72 0
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161909 57393037 1 NO4C31H31 AB4C31D31 -98.69 8.62 -8.96 -0.47 0
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161910 57393038 1 NO4C31H31 AB4C31D31 -97.51 5.84 -8.99 -0.47 0
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161911 57393039 2 NO2H15C16 AB2C15D16 -78.12 3.94 -9.35 -0.57 0
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161912 57393041 1 P14N35O99C154H201 A14B35C99D154E201 -5042.5 18.86 -9.1 -1.36 1
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161913 57393044 1 ON2C17H33 AB2C17D33 -54.66 4.9 0.0 0.0 0
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161915 57393051 1 NO2H15C16 AB2C15D16 -21.57 4.1 -9.14 -0.28 0