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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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