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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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338145 127258837 1 NO2C13H17 AB2C13D17 -70.75 1.43 -9.11 0.06 0
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338146 127258838 2 NOC6H8 ABC6D8 -52.8 3.38 -8.32 0.18 0
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338147 127258839 1 NO3C11H13 AB3C11D13 -93.36 3.82 -8.99 -0.04 0
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338148 127258840 1 NSO2C12H15 ABC2D12E15 -62.22 2.53 -8.54 -0.25 0
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338149 127258841 1 NO2C14H19 AB2C14D19 -81.52 1.88 -9.04 0.15 0
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338150 127258842 1 NO2C11H13 AB2C11D13 -61.79 2.52 -9.11 0.05 0
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338151 127258843 1 NO4C13H15 AB4C13D15 -126.85 3.39 -9.38 -0.75 0
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338152 127258844 1 NSO2C11H13 ABC2D11E13 -52.18 2.6 -8.52 -0.31 0
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338153 127258845 1 NSO3C13H15 ABC3D13E15 -89.57 3.24 -8.8 -0.71 0
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338154 127258846 1 BrClNO2H9C10 ABCD2E9F10 -55.07 3.26 -9.35 -0.76 0
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338155 127258847 1 BrNO2C10H10 ABC2D10E10 -48.8 3.76 -9.29 -0.4 0
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338156 127258848 2 NO2C5H5 AB2C5D5 -56.91 8.1 -9.69 -1.38 0
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338157 127258849 1 N2O4C13H16 A2B4C13D16 -161.2 4.75 -9.44 -0.06 0
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338158 127258850 1 NO2C12H23 AB2C12D23 -119.37 2.46 -9.14 0.75 0
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338159 127258851 1 NO4C26H53 AB4C26D53 -287.28 1.5 -9.95 0.48 0
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338160 127258852 1 BrN2O4C13H15 AB2C4D13E15 -65.46 8.77 -9.68 -1.59 0
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338161 127258853 1 ClN2O4C14H17 AB2C4D14E17 -84.61 7.3 -9.51 -1.36 0
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338162 127258854 1 N2O2C19H28 A2B2C19D28 -56.9 2.06 -9.02 0.36 0
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338163 127258855 1 N2O2C15H24 A2B2C15D24 -89.25 3.49 -8.7 0.4 0
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338164 127258856 2 NOC7H11 ABC7D11 -78.9 3.98 -8.78 0.35 0
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338165 127258857 1 NO2C13H23 AB2C13D23 -113.88 2.81 -9.6 1.0 0
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338166 127258858 1 ClN2O4C15H17 AB2C4D15E17 -81.67 8.54 -9.65 -1.62 0
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338167 127258859 1 NaN2O3C10H11 AB2C3D10E11 -159.39 10.38 -9.02 -0.84 0
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338168 127258860 1 SN2O4C9H12 AB2C4D9E12 -170.27 4.55 -9.61 -0.73 0
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338169 127258861 1 N4O4H20C23 A4B4C20D23 -28.91 3.65 -9.03 -0.91 0
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338170 127258862 1 BrO2N5H38C39 AB2C5D38E39 94.64 3.55 -9.13 -0.41 0
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338171 127258863 1 O2N5H37C39 A2B5C37D39 113.73 5.23 -8.96 -0.43 -2
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338172 127258864 1 MgN2C8O12H18 AB2C8D12E18 -651.01 7.4 -9.43 -0.69 0
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338173 127258865 1 NSF3O3C7H12 ABC3D3E7F12 -288.82 1.19 -9.47 -0.85 0
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338174 127258866 1 NO5F6H23C24 AB5C6D23E24 -470.02 5.52 -10.1 -1.3 0
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338175 127258867 1 OCl2N2C7H10 AB2C2D7E10 -42.49 3.7 -8.97 -0.61 0
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338176 127258868 1 N4O11C15H26 A4B11C15D26 -527.6 8.69 -10.06 -1.62 -2
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338177 127258869 1 P2Mg3H10C12O18 A2B3C10D12E18 -798.79 10.35 -9.0 -3.39 0
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338178 127258870 1 ClSH15C16 ABC15D16 50.2 1.01 -8.58 -0.3 0
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338179 127258871 1 Cl2N2O2C7H12 A2B2C2D7E12 -104.29 3.2 -9.16 -0.48 0
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338180 127258872 1 N2O2C7H10 A2B2C7D10 -34.73 2.14 -8.94 -0.13 0
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338181 127258873 1 NOCl3H4C7 ABC3D4E7 1.45 0.24 -9.77 -1.06 0
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338182 127258874 1 NO3C12H15 AB3C12D15 -113.34 3.56 -9.34 -0.69 0
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338183 127258875 1 CaPN5O8C18H24 ABC5D8E18F24 -297.3 5.76 -5.08 -1.47 0
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338184 127258876 1 SNa2N3O8C18H25 AB2C3D8E18F25 -448.81 8.81 -8.72 -0.84 0
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338185 127258877 1 ClNSF3C8H9 ABCD3E8F9 -174.15 2.51 -9.67 -1.04 -1
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338186 127258878 1 NaN2S2C12O12H28 AB2C2D12E12F28 -571.1 10.83 0.0 0.0 -1
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338188 127258880 1 O18H22C27 A18B22C27 -671.57 2.79 -9.28 -1.19 0
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338190 127258882 1 BrN2O2C12H17 AB2C2D12E17 -95.98 4.38 -9.94 -0.78 0
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338191 127258883 1 ClNO2C11H18 ABC2D11E18 -99.94 2.2 -8.34 0.17 0
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338192 127258884 1 ClNO2C11H18 ABC2D11E18 -114.61 6.39 -9.2 -0.16 0
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338193 127258885 1 ClN2C10H15 AB2C10D15 -16.25 4.73 -9.02 0.04 0
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338194 127258886 1 O4H10C11 A4B10C11 -140.31 5.69 -9.84 -1.41 0
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338196 127258888 1 ClNO3F4C10H10 ABC3D4E10F10 -346.94 2.75 -10.02 -1.01 0
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338197 127258889 1 BrClN2O2C9H12 ABC2D2E9F12 -93.65 6.41 -10.02 -0.89 0