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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413864 135086815 1 F3O5C8H11 A3B5C8D11 -354.93 5.63 -10.58 -0.91 0
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413865 135086816 1 ClNC11H14 ABC11D14 33.1 3.49 -9.79 -0.14 0
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413866 135086817 1 OSiC14H28 ABC14D28 -112.54 1.6 -8.62 0.53 0
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413867 135086818 1 SiN2O3C19H28 AB2C3D19E28 -112.86 1.09 -8.9 -0.75 1
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413868 135086819 1 SiN2O3C19H29 AB2C3D19E29 -57.35 2.73 0.0 0.0 0
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413869 135086820 1 O4N5C9H17 A4B5C9D17 -84.61 2.93 -9.71 -0.55 0
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413870 135086821 1 O4N5C10H19 A4B5C10D19 -86.8 6.59 -9.66 -0.37 0
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413871 135086822 1 O4N5C11H21 A4B5C11D21 -91.59 6.82 -9.58 -0.33 0
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413872 135086823 1 ON2H20C22 AB2C20D22 82.82 3.09 -8.13 -0.02 0
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413873 135086824 1 OSC13H14 ABC13D14 57.78 4.48 -8.43 -0.24 0
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413874 135086825 1 NSO3H11C15 ABC3D11E15 -5.07 1.72 -8.64 -0.65 0
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413875 135086826 1 NSO2C17H17 ABC2D17E17 -17.82 2.86 -8.49 -0.3 0
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413876 135086827 1 BrNSO2H14C20 ABCD2E14F20 60.96 4.35 -8.51 -1.25 0
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413877 135086828 1 NSO2H15C17 ABC2D15E17 38.33 4.84 -8.49 -0.24 0
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413878 135086829 1 NSO2H17C18 ABC2D17E18 33.88 6.87 -8.39 -0.63 0
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413879 135086830 1 OC18H22 AB18C22 11.36 4.48 -9.5 -0.57 0
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413880 135086831 2 NOC7H8 ABC7D8 -41.25 3.23 -9.51 0.07 0
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413881 135086832 1 ClNSiC13H22 ABCD13E22 -50.74 3.79 -8.6 0.15 0
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413882 135086833 1 BrF3C13H22 AB3C13D22 -202.59 1.21 -10.0 -0.09 0
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413883 135086834 2 OH6C8 AB6C8 27.73 4.96 -9.73 -1.01 0
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413884 135086835 1 SH6C10 AB6C10 141.29 1.71 -8.65 -0.56 0
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413885 135086836 1 SeBr2O2H12C16 AB2C2D12E16 -18.02 3.02 -9.21 -1.09 0
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413886 135086837 1 O2C15H16 A2B15C16 -21.94 2.18 -9.05 -0.07 0
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413887 135086838 1 NO4C19H25 AB4C19D25 -160.17 4.06 -8.91 0.04 0
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413888 135086839 1 OPH21C22 ABC21D22 13.02 4.37 -9.48 -0.1 0
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413889 135086840 1 NO2C14H19 AB2C14D19 -30.42 3.19 -9.13 -0.03 0
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413890 135086841 1 ON2C14H14 AB2C14D14 27.0 3.03 -9.56 -0.83 0
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413891 135086842 1 ClO3C15H17 AB3C15D17 -113.87 3.67 -10.01 -1.03 0
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413892 135086843 1 Br2N2O4C17H20 A2B2C4D17E20 -144.85 1.81 -9.19 -1.15 0
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413893 135086844 1 OH16C17 AB16C17 9.02 3.57 -9.23 -0.47 0
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413894 135086845 1 OH16C17 AB16C17 8.88 4.08 -9.31 -0.54 0
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413895 135086846 1 BrNO2H14C16 ABC2D14E16 -21.19 3.89 -8.42 -0.53 0
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413896 135086847 1 FNO2H16C17 ABC2D16E17 -72.77 2.19 -9.56 -0.3 0
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413897 135086848 1 NF2O2H13C16 AB2C2D13E16 -110.91 0.58 -9.81 -0.46 0
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413898 135086849 1 PO5C12H17 AB5C12D17 -227.13 1.59 -8.74 -0.4 0
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413899 135086850 1 PO4C15H17 AB4C15D17 -172.37 3.24 -9.04 -0.66 0
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413900 135086851 1 O4H16C17 A4B16C17 -100.74 2.96 -8.98 -0.97 2
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413902 135086853 1 SO3C16H16 AB3C16D16 -76.58 4.1 -9.32 -0.51 1
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413903 135086854 1 N2C9H11 A2B9C11 31.65 0.86 0.0 0.0 1
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413904 135086855 1 BrN2C6H8 AB2C6D8 56.19 6.69 0.0 0.0 0
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413905 135086856 1 SN3O3H17C18 AB3C3D17E18 -32.51 5.45 -8.52 -0.65 0
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413906 135086857 1 BrN2C24H33 AB2C24D33 33.5 2.83 -8.34 -0.28 0
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413907 135086858 1 BrN2C26H27 AB2C26D27 115.11 2.82 -8.33 -0.4 0
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413908 135086859 1 SF3N3O5H20C25 AB3C3D5E20F25 -264.32 4.96 -8.54 -1.51 0
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413909 135086860 1 N2O3C16H16 A2B3C16D16 -77.66 4.93 -8.29 -0.99 0
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413910 135086861 1 N2O3H10C13 A2B3C10D13 -73.01 1.14 -8.63 -1.19 0
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413911 135086862 2 ON2H5C6 AB2C5D6 61.02 3.18 -8.57 -1.6 0
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413912 135086863 1 NSO2C22H23 ABC2D22E23 41.61 5.26 -8.93 -0.59 0
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413913 135086864 1 NOF2C25H25 ABC2D25E25 -42.47 7.61 -8.62 -1.34 0
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413914 135086865 1 SO2N3C17H17 AB2C3D17E17 20.21 8.52 -8.47 -0.95 0