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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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1815 5113 1 BrNPO13C22H23 ABCD13E22F23 -498.01 3.22 -9.67 -1.3 0
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1816 5115 1 NO4C9H9 AB4C9D9 -140.5 3.02 -10.34 -1.23 0
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1817 5116 1 Cl2N2O3C14H18 A2B2C3D14E18 -144.44 5.61 -8.96 -0.89 0
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1818 5120 1 IN2O3C15H21 AB2C3D15E21 -100.74 2.69 -8.64 -1.19 0
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1819 5123 1 N3O4C7H9 A3B4C7D9 -154.0 4.75 -10.22 -0.9 0
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1820 5126 1 NOC3H9 ABC3D9 -56.9 1.89 -9.57 2.43 0
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1821 5127 1 SN2O2C11H16 AB2C2D11E16 -38.48 7.98 -9.35 0.01 0
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1822 5129 1 SN5O6C17H17 AB5C6D17E17 -87.01 6.44 -9.36 -1.57 0
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1823 5131 1 SN6O7C18H22 AB6C7D18E22 -208.36 7.73 -9.45 -1.78 0
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1824 5132 1 SN6O7C18H23 AB6C7D18E23 -217.41 6.51 0.0 0.0 1
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1825 5134 1 SO5N6C15H23 AB5C6D15E23 -163.16 2.46 0.0 0.0 0
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1826 5137 1 SN3O6C17H23 AB3C6D17E23 -252.22 3.54 -9.33 -0.45 0
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1827 5139 1 SN2C3H8 AB2C3D8 8.31 2.52 -9.18 0.05 0
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1828 5141 1 SN3O6C16H29 AB3C6D16E29 -294.1 4.14 -9.3 -0.13 0
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1829 5145 1 O7C13H18 A7B13C18 -288.64 4.2 -9.48 -0.28 0
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1830 5146 1 O2C7H8 A2B7C8 -68.55 3.16 -9.3 -0.13 0
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1831 5147 1 NO2C7H7 AB2C7D7 -64.56 5.22 -9.64 -0.56 0
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1832 5148 1 O3H5C7 A3B5C7 -77.74 6.75 0.0 0.0 -1
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1833 5149 1 NO5C26H33 AB5C26D33 -175.32 3.99 -8.85 -0.52 0
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1834 5150 1 O11C42H69 A11B42C69 -557.3 7.71 0.0 0.0 -1
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1835 5154 1 NO4H14C20 AB4C14D20 -50.77 3.04 0.0 0.0 1
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1836 5155 2 NO2C5H6 AB2C5D6 -147.06 5.34 -9.64 -0.49 0
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1837 5162 1 ON3C17H17 AB3C17D17 35.18 5.46 -8.47 -0.33 0
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1838 5163 1 ON4H16C17 AB4C16D17 36.36 6.84 -8.15 -0.21 0
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1839 5164 1 FN6C18H19 AB6C18D19 40.43 5.52 -8.97 -0.8 0
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1840 5165 1 BrN3O4H10C13 AB3C4D10E13 -22.22 2.78 -9.28 -2.14 0
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1841 5166 1 FO2N4C20H21 AB2C4D20E21 -52.88 3.72 -9.12 -1.02 0
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1842 5167 2 N2O2C11H14 A2B2C11D14 -121.3 5.68 -9.34 0.21 0
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1843 5168 1 O8H14C15 A8B14C15 -296.99 6.05 -9.13 -1.66 0
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1844 5169 1 FON3H14C20 ABC3D14E20 20.54 4.18 -8.69 -0.9 0
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1845 5171 1 FN3H16C18 AB3C16D18 55.91 5.64 -8.93 -0.65 0
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1846 5173 2 NO2C4H8 AB2C4D8 -131.46 6.08 -9.66 0.18 0
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1847 5175 1 ClNSO2C17H22 ABCD2E17F22 -74.71 4.2 -9.4 -1.26 0
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1848 5178 2 BrON5C11H12 ABC5D11E12 41.35 4.04 -8.92 -0.38 0
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1849 5192 2 O2C5H9 A2B5C9 -216.63 4.57 -11.05 0.42 0
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1850 5195 1 NC13H17 AB13C17 68.17 0.75 -8.96 0.42 0
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1851 5196 1 CON3H5 ABC3D5 -26.14 4.2 -10.24 0.52 0
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1852 5197 2 O5H21C25 A5B21C25 -202.52 6.1 -8.16 -2.03 0
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1853 5203 1 NCl2C17H17 AB2C17D17 20.32 3.34 -9.11 -0.37 0
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1854 5205 1 NC19H19 AB19C19 53.9 1.64 -8.6 -0.08 0
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1855 5211 1 O3C23H32 A3B23C32 -162.61 1.7 -8.74 0.47 0
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1856 5213 1 O10H22C25 A10B22C25 -340.92 4.76 -8.94 -0.97 0
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1857 5214 1 AgSO2N4C10H12 ABC2D4E10F12 -129.93 16.38 0.0 0.0 3
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1858 5216 1 ClN5C7H12 AB5C7D12 27.62 4.68 -9.4 -0.13 0
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1859 5218 1 O6C25H40 A6B25C40 -325.34 5.55 -8.94 0.36 0
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1860 5219 2 ON2C3H5 AB2C3D5 35.96 5.74 -8.73 -0.69 0
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1861 5220 1 O5N7C17H27 A5B7C17D27 -180.3 3.61 -9.02 -0.46 0
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1862 5225 1 SN2O7C19H20 AB2C7D19E20 -265.72 10.71 -9.32 -1.08 0
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1863 5228 1 FSN3H12C16 ABC3D12E16 52.61 5.74 -8.64 -0.8 0
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1864 5230 1 NPO2C4H12 ABC2D4E12 -149.09 4.96 -9.89 2.22 0
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1865 5231 1 SN2O4C7H12 AB2C4D7E12 -136.99 4.54 -9.58 -1.42 0
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1866 5232 1 SN2O4C10H18 AB2C4D10E18 -150.11 4.3 -9.54 -1.39 0
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1867 5236 1 FC2H2O2 AB2C2D2 -80.09 2.25 0.0 0.0 -1
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1868 5237 1 FC2O2H3 AB2C2D3 -133.77 3.29 -11.47 0.16 0
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1869 5238 1 INa AB -19.78 10.39 -7.43 -0.14 0
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1870 5240 1 IC2O2H3 AB2C2D3 -74.28 4.18 -10.71 -2.0 0
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1871 5241 1 N2O2I3C12H13 A2B2C3D12E13 0.59 9.38 -9.05 -1.47 0
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1872 5242 1 NNaC2H2O3 ABC2D2E3 -160.62 8.74 -9.33 0.14 0
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1873 5243 1 NS2O8H15C18 AB2C8D15E18 -237.43 3.08 -9.59 -1.26 0
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1874 5245 1 NP2C7O7H11 AB2C7D7E11 -383.19 2.93 -10.14 -0.4 0
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1875 5247 1 NSO7C26H45 ABC7D26E45 -382.48 10.41 -9.94 0.17 0
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1876 5252 1 FN2O3H9C11 AB2C3D9E11 -143.08 3.12 -9.39 -0.83 0
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1877 5253 1 SN2O3C12H20 AB2C3D12E20 -122.86 4.68 -8.77 0.16 0
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1878 5254 1 O5H22C25 A5B22C25 -151.74 8.89 -9.06 -0.78 0
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1879 5261 1 PN2O6C41H84 AB2C6D41E84 -386.94 11.69 0.0 0.0 1
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1880 5265 1 FO2N3C23H26 AB2C3D23E26 -76.09 3.89 -8.79 -0.73 0
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1881 5266 1 N2O14C43H74 A2B14C43D74 -647.48 2.2 -8.63 0.19 0
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1882 5267 1 SO4C24H32 AB4C24D32 -206.86 5.22 -9.61 -0.12 0
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1883 5268 1 N3O3C22H25 A3B3C22D25 -59.67 5.22 -8.53 -0.16 0
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1884 5269 1 O2H10C13 A2B10C13 -44.22 4.56 -8.96 -0.79 0
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1885 5270 1 ON5C9H11 AB5C9D11 18.14 1.74 -8.96 -0.41 0
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1886 5278 1 BrFN2O3H12C17 ABC2D3E12F17 -96.93 2.24 -9.54 -1.24 0
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1887 5279 1 O3N4H26C28 A3B4C26D28 -32.96 7.62 -7.98 -0.77 0
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1888 5280 2 NO2C5H7 AB2C5D7 -179.04 4.8 -9.59 -0.44 0
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1889 5281 2 OC9H18 AB9C18 -178.04 2.14 -10.79 0.56 0