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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
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338198 127258890 1 NO2C11H15 AB2C11D15 -46.22 4.07 -9.04 -0.06 0
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338199 127258891 1 NO2C10H15 AB2C10D15 -69.66 5.2 -9.52 0.01 0
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338200 127258892 1 FNCl2O3C8H10 ABC2D3E8F10 -221.41 2.87 -9.78 -0.93 0
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338201 127258893 1 ClNC9H12 ABC9D12 4.53 1.99 -9.51 0.12 0
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338202 127258894 1 ClN2O2C9H13 AB2C2D9E13 -104.34 9.66 -10.06 -0.54 0
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338203 127258895 1 ClN2O2C9H13 AB2C2D9E13 -103.85 9.59 -10.11 -0.62 0
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338204 127258896 1 ClF2N2O2C8H9 AB2C2D2E8F9 -185.3 5.64 -10.14 -1.06 0
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338205 127258897 2 FNOC4H4 ABCD4E4 -148.77 3.43 -10.32 -0.92 0
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338206 127258898 1 ClNO4C11H16 ABC4D11E16 -186.18 4.9 -9.05 -0.31 0
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338207 127258899 1 NCl2O3C10H13 AB2C3D10E13 -156.92 4.76 -9.64 -0.67 0
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338208 127258900 1 ClNO3C10H12 ABC3D10E12 -120.5 4.01 -9.39 -0.49 0
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338209 127258901 1 NOCl3C8H10 ABC3D8E10 -78.68 2.93 -9.94 -0.71 0
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338210 127258902 1 FNCl2C8H10 ABC2D8E10 -80.74 4.77 -10.13 -0.9 0
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338211 127258903 1 N9O9C25H45 A9B9C25D45 -445.28 11.63 -9.24 0.17 0
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338212 127258904 1 BrClN2F3C7H7 ABC2D3E7F7 -151.36 3.53 -9.46 -1.16 0
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338213 127258905 1 BrClN2F3C7H7 ABC2D3E7F7 -157.67 3.21 -9.38 -1.22 0
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338214 127258906 1 ClN2O4C14H21 AB2C4D14E21 -208.28 4.42 -10.15 -0.58 0
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338215 127258907 1 BrClON2C7H10 ABCD2E7F10 -33.46 1.41 -8.59 -0.45 0
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338216 127258908 1 BrClOF2N2C7H8 ABCD2E2F7G8 -140.75 4.05 -9.26 -0.87 0
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338217 127258909 1 BCl2N2O2C12H21 AB2C2D2E12F21 -221.49 5.1 -9.63 -0.39 0
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338218 127258910 1 BrClOF2N2C7H8 ABCD2E2F7G8 -139.66 3.57 -9.16 -0.58 0
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338219 127258911 1 ClFNO3C9H11 ABCD3E9F11 -186.14 4.39 -9.29 -0.4 0
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338220 127258912 1 N2O4C13H26 A2B4C13D26 -227.79 2.59 -9.7 0.32 0
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338221 127258913 1 O3C22H22 A3B22C22 -58.9 4.16 -8.67 0.01 0
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338222 127258914 1 NO2C13H19 AB2C13D19 -84.68 1.43 -9.1 -0.38 0
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338223 127258915 2 O2C9H14 A2B9C14 -203.49 2.71 -8.66 0.26 0
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338224 127258916 2 O2C9H13 A2B9C13 -189.57 5.51 -8.91 -0.17 0
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338225 127258917 1 HICl2N2C4 ABC2D2E4 61.17 1.07 -9.98 -1.92 0
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338226 127258918 2 NO2C13H21 AB2C13D21 -216.29 4.04 -8.55 -0.38 0
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338227 127258919 1 NO3C16H23 AB3C16D23 -138.22 1.66 -9.57 0.05 0
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338231 127258923 1 ClO10C21H21 AB10C21D21 -361.46 2.37 -8.34 -1.3 0
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338232 127258924 1 O20C39H50 A20B39C50 -814.46 4.36 -8.85 -1.08 0
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338234 127258926 2 O8H17C19 A8B17C19 -566.14 1.31 -8.66 -1.43 0
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338236 127258928 1 O21C37H48 A21B37C48 -868.24 3.3 -8.66 -0.94 0
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338238 127258930 1 O11C18H28 A11B18C28 -484.8 4.14 -9.96 -0.47 0
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338240 127258932 1 ClN2O9C37H41 AB2C9D37E41 -82.94 14.65 -8.51 -4.03 0
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338245 127258937 1 O10C37H56 A10B37C56 -481.23 8.13 -9.31 0.22 0
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338246 127258938 1 ClO10H19C20 AB10C19D20 -376.39 6.02 -8.58 -0.91 0
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338253 127258945 1 O8C27H30 A8B27C30 -251.84 4.38 -8.72 -0.75 0
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338255 127258947 1 O18C45H74 A18B45C74 -871.97 7.06 -8.48 0.22 0
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338257 127258949 1 ClON2C8H11 ABC2D8E11 -30.36 3.73 -9.43 -1.06 0
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338258 127258950 1 BrClON3H11C14 ABCD3E11F14 43.12 3.9 -9.48 -1.35 0
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338259 127258951 1 BrON3H14C16 ABC3D14E16 32.35 2.63 -8.51 -1.09 0
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338260 127258952 1 BrN3H14C17 AB3C14D17 94.1 4.16 -8.44 -1.01 0
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338261 127258953 1 BrN2O2C16H19 AB2C2D16E19 -59.33 3.09 -9.31 -1.18 0
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338262 127258954 1 BrN2O2C15H17 AB2C2D15E17 -53.69 3.14 -9.35 -1.21 0
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338263 127258955 1 BrN2O2C14H15 AB2C2D14E15 -49.42 2.66 -9.33 -1.19 0
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338264 127258956 1 Cl2O2N3C10H19 A2B2C3D10E19 -148.13 3.15 -9.74 0.35 0
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338265 127258957 2 ClNOC6H13 ABCD6E13 -198.57 2.07 -9.09 0.58 0
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338266 127258958 1 ClINH9C10 ABCD9E10 18.18 4.27 -8.7 -0.86 -1