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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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412856 135085785 1 FSBr2O2H7C9 ABC2D2E7F9 -71.53 3.52 -9.36 -1.82 0
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412857 135085786 1 ClS2C12H15 AB2C12D15 15.52 2.93 -8.64 -0.16 0
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412858 135085787 1 SiO2C9H20 AB2C9D20 -155.57 0.38 -8.45 1.15 0
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412859 135085788 1 OSiC12H22 ABC12D22 -53.12 1.94 -8.71 0.75 0
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412860 135085789 2 NOC6H7 ABC6D7 -25.87 1.4 -9.16 -0.58 1
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412861 135085790 1 N2O2C12H15 A2B2C12D15 -17.65 4.06 0.0 0.0 0
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412862 135085791 1 NO4C9H11 AB4C9D11 -93.01 1.8 -9.14 -0.37 0
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412863 135085792 1 FN2C12H13 AB2C12D13 25.44 5.77 -9.39 0.12 0
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412864 135085793 1 SeO2N3C9H9 AB2C3D9E9 27.06 0.99 -8.83 -1.12 0
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412865 135085794 1 NaSO4H9C10 ABC4D9E10 -175.57 11.17 -9.89 -0.88 0
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412866 135085795 1 SF3O3C8H11 AB3C3D8E11 -256.23 2.59 -10.33 -1.51 0
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412867 135085796 1 BrZnO2C11H15 ABC2D11E15 -11.7 1.32 -9.35 -1.71 0
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412868 135085797 1 SBr2O2H6C9 AB2C2D6E9 -18.03 2.7 -8.66 -0.77 0
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412869 135085798 1 ClZnC11H15 ABC11D15 64.79 4.82 -9.45 -0.68 0
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412870 135085799 1 OCl3C7H9 AB3C7D9 -58.51 4.45 -10.58 -1.06 0
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412871 135085800 1 IOC12H17 ABC12D17 -25.33 3.74 -9.5 -0.68 0
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412872 135085801 1 O3C12H16 A3B12C16 -109.77 2.42 -10.02 0.5 0
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412873 135085802 1 OC17H26 AB17C26 -32.78 3.25 -9.53 0.6 0
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412874 135085803 1 BrFO2C10H14 ABC2D10E14 -133.03 0.94 -9.9 -0.84 0
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412875 135085804 1 N3O4C6H11 A3B4C6D11 -117.91 1.9 -10.55 -0.5 0
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412876 135085805 1 BKO2F3C10H11 ABC2D3E10F11 -382.34 10.46 -8.15 0.09 0
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412877 135085811 1 BrNO3C8H12 ABC3D8E12 -73.38 1.93 -9.6 -0.88 0
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412878 135085812 1 NO2C11H11 AB2C11D11 -37.54 3.51 -9.68 -0.81 0
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412879 135085813 1 ON3C13H17 AB3C13D17 34.18 3.92 -8.97 -0.35 0
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412880 135085814 1 NaSO4H9C10 ABC4D9E10 -164.91 10.29 -9.85 -0.84 0
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412881 135085815 1 ClSF3O3H8C9 ABC3D3E8F9 -272.59 1.55 -9.36 -1.66 0
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412882 135085816 1 NSO3C11H13 ABC3D11E13 -42.87 5.35 -9.85 -0.6 0
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412883 135085817 1 O3C12H22 A3B12C22 -179.62 3.68 -10.17 0.57 0
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412884 135085818 1 NSO4C8H15 ABC4D8E15 -187.47 1.1 -8.98 0.03 0
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412885 135085821 1 NOC12H23 ABC12D23 -48.49 1.23 -9.16 1.22 0
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412886 135085822 1 BrN2C14H17 AB2C14D17 52.65 3.41 -8.58 -0.35 0
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412887 135085823 1 ClION2H10C13 ABCD2E10F13 34.36 4.34 -9.66 -1.18 0
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412888 135085824 1 BrClOC12H12 ABCD12E12 5.82 3.21 -9.59 -0.31 0
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412889 135085825 1 OCl2H8C12 AB2C8D12 8.96 0.89 -8.82 -0.63 0
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412890 135085826 1 LiOC9H9 ABC9D9 14.92 6.61 -7.55 0.99 0
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412891 135085827 1 NOC11H15 ABC11D15 -8.03 0.67 -8.61 0.31 0
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412892 135085828 1 O4C9H10 A4B9C10 -116.64 2.12 -10.95 -1.36 0
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412893 135085829 1 BrSO2H7C8 ABC2D7E8 -43.88 5.03 -9.76 -1.24 0
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412894 135085830 1 N2O4H10C11 A2B4C10D11 -17.31 3.95 -10.2 -1.94 0
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412895 135085831 1 NO2H9C10 AB2C9D10 -28.7 3.26 -9.71 -0.92 0
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412896 135085832 1 NOC15H21 ABC15D21 -34.99 1.44 -9.39 0.39 0
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412897 135085833 1 IN2H9C14 AB2C9D14 117.93 5.6 -9.51 -1.44 0
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412898 135085834 1 BKNF3H8C11 ABCD3E8F11 -273.24 11.12 -8.76 -0.42 -1
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412899 135085835 1 BNF3H8C11 ABC3D8E11 -162.79 10.96 0.0 0.0 0
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412900 135085837 1 KNO3C12H14 ABC3D12E14 -165.1 9.04 -8.91 0.0 0
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412901 135085838 1 NO2C12H23 AB2C12D23 -136.86 1.45 -9.85 0.57 0
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412902 135085839 1 NaSO4C8H13 ABC4D8E13 -193.56 10.44 -10.37 0.38 0
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412903 135085840 1 O2N3C12H19 A2B3C12D19 -74.77 2.98 -9.3 -0.4 0
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412904 135085841 1 OZnCl2C9H10 ABC2D9E10 98.06 6.22 -6.21 -4.28 0
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412905 135085842 1 BrZnO2C10H17 ABC2D10E17 34.34 3.42 -5.35 -3.56 0
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412906 135085843 1 NOC10H13 ABC10D13 -8.93 1.53 -9.06 -0.19 0
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412907 135085844 1 KNO4H6C8 ABC4D6E8 -115.72 13.15 -9.24 -0.8 0
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412908 135085845 1 BrFH8C9 ABC8D9 -12.98 2.11 -9.21 -0.64 0
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412909 135085846 2 NOC5H8 ABC5D8 -39.39 7.92 -8.93 0.04 -1
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412910 135085847 1 N2O2C10H15 A2B2C10D15 -45.24 5.02 0.0 0.0 0
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412911 135085848 1 BrClNSO2H3C6 ABCDE2F3G6 40.81 4.44 -9.84 -2.03 0
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412912 135085849 1 FSH9C10 ABC9D10 22.79 2.23 -8.46 -0.58 1
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412913 135085850 1 NO2C13H20 AB2C13D20 -41.42 2.21 0.0 0.0 0
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412915 135085852 1 SF3O3C11H15 AB3C3D11E15 -269.91 3.16 -9.72 -1.46 0
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412916 135085853 1 ClSiO3C12H23 ABC3D12E23 -196.84 2.97 -8.94 -0.14 0
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412917 135085854 1 BrMgNOC11H14 ABCDE11F14 -47.73 1.73 -8.94 -0.44 0
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412918 135085855 1 ON2C14H14 AB2C14D14 52.89 2.13 -8.96 -0.53 0
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412919 135085856 1 NaSO4C7H11 ABC4D7E11 -185.29 9.44 -10.48 0.4 0
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412920 135085857 1 NO2C9H17 AB2C9D17 -123.33 3.77 -9.93 0.78 0
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412921 135085858 1 FSN2O2H9C11 ABC2D2E9F11 -63.81 6.11 -9.04 -1.22 0
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412922 135085859 1 IOH11C13 ABC11D13 31.54 2.67 -8.59 -0.73 0
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412923 135085860 1 NaSO4C6H9 ABC4D6E9 -193.56 11.01 -10.37 0.37 0
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412924 135085861 1 SO4C6H10 AB4C6D10 -142.38 5.27 -10.66 -0.78 -1
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412925 135085862 1 ClFLiZnO2C11H14 ABCDE2F11G14 -133.13 13.35 0.0 0.0 0
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412926 135085863 1 INO4H6C9 ABC4D6E9 -24.07 6.75 -10.31 -1.89 0
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412927 135085864 1 SBr2H8C9 AB2C8D9 34.95 2.46 -9.02 -0.79 0
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412928 135085865 1 NNaO2C6H8 ABC2D6E8 -122.93 7.1 -9.27 0.32 0
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412929 135085866 1 BrON2H13C14 ABC2D13E14 -4.96 5.24 -9.43 -0.35 0
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412930 135085867 1 NOC11H15 ABC11D15 -14.01 1.44 -9.14 -0.18 0
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412931 135085868 1 BrOC14H17 ABC14D17 -25.69 3.6 -8.71 0.03 0
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412932 135085869 1 BrO2C12H15 AB2C12D15 -52.99 1.65 -8.35 -0.22 0
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412933 135085870 1 BrO4C11H15 AB4C11D15 -149.74 1.63 -8.87 -0.29 0
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412934 135085871 1 OF2C12H12 AB2C12D12 -119.99 3.71 -8.74 -0.2 0
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412935 135085872 1 NO2S2C9H13 AB2C2D9E13 -82.01 4.23 -8.95 -0.88 0
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412936 135085873 1 SC14H18 AB14C18 46.53 1.88 -8.17 -0.15 0
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412937 135085874 1 MnH4O5C6 AB4C5D6 -126.78 1.79 0.0 0.0 0
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412938 135085875 1 NOSiC11H23 ABCD11E23 -99.88 1.71 -8.82 0.15 0
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412939 135085876 1 NOC14H23 ABC14D23 -38.2 1.68 -8.25 1.03 0
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412940 135085877 1 NO2C12H17 AB2C12D17 -80.18 5.05 -9.13 0.63 0
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412941 135085878 3 NOC3H3 ABC3D3 12.52 5.52 -9.85 -1.82 0
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412942 135085879 1 ClOC11H13 ABC11D13 -34.53 3.72 -9.24 0.03 0
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412943 135085880 1 NO2C11H21 AB2C11D21 -131.26 0.77 -9.82 0.66 0
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412944 135085881 1 BrSN2O2H9C11 ABC2D2E9F11 -12.78 6.08 -8.87 -1.23 0
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412945 135085882 1 IOC14H19 ABC14D19 -17.44 2.95 -8.71 -0.83 0
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412946 135085883 1 BrNOC8H12 ABCD8E12 0.18 0.33 -8.93 0.15 0
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412947 135085884 1 SBr2F3H5C9 AB2C3D5E9 -115.99 3.45 -9.32 -1.12 0
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412948 135085885 1 SSiO3C12H18 ABC3D12E18 -129.03 6.07 -9.17 -0.5 0
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412949 135085886 1 BrNC13H14 ABC13D14 34.97 2.63 -8.09 0.13 0
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412950 135085887 1 ClN2O2C11H15 AB2C2D11E15 -78.64 3.43 -9.81 -0.69 0
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412951 135085888 1 NO2C15H15 AB2C15D15 -48.14 4.62 -9.26 -0.13 0
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412952 135085889 1 LiO3H9C10 AB3C9D10 -101.86 8.21 -8.02 -0.07 0
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412953 135085890 1 O3C10H10 A3B10C10 -81.98 1.79 -8.69 -0.28 0
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412954 135085891 1 ClOC9H11 ABC9D11 37.04 3.77 -10.04 -0.26 0
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412955 135085892 1 O3C12H14 A3B12C14 -34.7 2.83 -8.0 0.07 1
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412956 135085893 1 NOC12H22 ABC12D22 -31.03 1.67 0.0 0.0 0