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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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2116 5858 2 OC10H15 AB10C15 -122.73 6.79 -9.7 0.13 0
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2117 5867 1 O5C21H30 A5B21C30 -229.5 3.36 -9.36 -0.28 0
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2118 5868 1 NaO6C25H35 AB6C25D35 -326.96 4.52 -9.42 -0.31 0
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2119 5871 1 ClNO4C17H22 ABC4D17E22 -191.52 4.82 -9.83 -0.7 0
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2120 5872 1 NO4C17H21 AB4C17D21 -151.3 1.65 -8.86 -0.64 0
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2121 5876 1 FO5C21H27 AB5C21D27 -257.7 4.7 -10.09 -0.75 0
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2122 5877 2 O3C12H16 A3B12C16 -207.59 7.99 -8.57 -0.43 0
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2123 5879 1 O2C19H30 A2B19C30 -133.27 3.1 -9.65 0.8 0
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2124 5889 2 H7C11 A7B11 85.71 0.0 -8.44 -0.92 0
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2125 5890 1 O11N14C49H70 A11B14C49D70 -452.25 2.34 -8.9 0.02 0
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2126 5892 1 P2N7O14C21H27 A2B7C14D21E27 -648.62 4.58 -9.31 -0.85 0
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2127 5902 1 N2O2C19H32 A2B2C19D32 -90.03 2.43 -8.65 0.17 0
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2128 5905 1 IN2O5C9H11 AB2C5D9E11 -194.35 3.36 -9.76 -1.63 0
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2129 5919 1 NNaI3O4H11C15 ABC3D4E11F15 -103.8 5.26 -8.84 -1.26 0
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2130 5932 1 ClN5C8H12 AB5C8D12 13.87 3.99 -8.83 -0.44 0
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2131 5933 1 HgNO3C6H6 ABC3D6E6 141.89 7.28 0.0 0.0 0
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2133 5937 2 SO3C4H9 AB3C4D9 -290.2 4.47 -11.03 0.19 0
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2134 5950 1 NO2C3H7 AB2C3D7 -95.71 5.4 -10.46 0.69 0
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2135 5952 1 O4C23H32 A4B23C32 -197.54 6.55 -9.74 0.01 0
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2136 5956 1 S2O11N13C46H65 A2B11C13D46E65 -467.73 1.4 -9.19 -1.37 0
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2137 5965 2 BrN2O2C16H26 AB2C2D16E26 -176.98 15.08 -7.64 -0.95 0
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2138 5967 2 ClO2N5C13H19 AB2C5D13E19 -123.72 8.54 -8.9 -0.64 0
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2139 5975 1 CN AB 101.55 1.13 0.0 0.0 -1
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2140 5979 1 N2O2C21H22 A2B2C21D22 -14.68 5.27 -8.56 0.26 0
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2141 5980 1 NO3C17H19 AB3C17D19 -76.72 3.3 -8.52 0.02 0
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2142 5986 1 N2O3C23H30 A2B3C23D30 -107.34 2.22 -9.04 0.02 0
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2143 5989 1 ClNC5H11 ABC5D11 9.07 2.0 0.0 0.0 1
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2144 5991 2 OC10H12 AB10C12 -31.21 2.9 -8.78 0.24 0
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2145 5996 1 OC28H44 AB28C44 -87.88 2.99 -8.39 0.69 0
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2146 6003 1 SN2C19H25 AB2C19D25 69.38 3.11 0.0 0.0 1
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2148 6009 1 ON3C13H17 AB3C13D17 16.83 3.99 -8.54 -0.23 0
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2149 6011 2 OC10H16 AB10C16 -143.3 3.14 -9.71 0.8 0
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2150 6023 1 NaN2S2O6H15C16 AB2C2D6E15F16 -249.37 2.68 -8.86 -0.58 0
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2151 6026 1 O11N15C50H73 A11B15C50D73 -435.15 12.51 -9.12 -0.6 0
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2152 6028 1 OH2Cl4C6 AB2C4D6 -47.56 2.0 -9.45 -1.16 0
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2153 6033 1 O2C29H50 A2B29C50 -179.5 2.9 -7.93 0.48 0
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2154 6038 1 NOH7C9 ABC7D9 -9.44 4.41 -9.09 -0.9 0
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2155 6045 1 HgO2H5C7 AB2C5D7 -22.55 4.98 0.0 0.0 1
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2156 6050 1 O6C15H26 A6B15C26 -313.29 3.21 -10.77 0.69 0
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2157 6053 1 N3C14H15 A3B14C15 94.57 3.65 -8.2 -0.68 0
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2158 6055 1 SN2O4C18H28 AB2C4D18E28 -168.63 10.84 -9.67 -0.03 0
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2159 6062 1 O7C25H34 A7B25C34 -329.51 6.43 -10.14 -0.28 0
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2160 6063 1 ClN2O4C26H39 AB2C4D26E39 -204.72 8.0 -8.73 -0.34 0
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2161 6068 1 NO2C13H15 AB2C13D15 -77.09 3.42 -9.84 -0.09 0
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2162 6076 1 PN5O6C10H12 AB5C6D10E12 -248.15 2.81 -9.29 -0.76 0
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2164 6080 1 NO3C14H23 AB3C14D23 -123.55 1.85 -8.5 -0.15 0
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2165 6081 1 ClNO3C11H18 ABC3D11E18 -151.4 4.84 -8.82 -0.56 0
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2166 6083 1 PN5O7C10H14 AB5C7D10E14 -304.81 2.88 -9.09 -0.57 0
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2167 6084 1 ClNO4C20H22 ABC4D20E22 -117.32 5.75 -8.42 -0.71 0
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2168 6085 1 ClNO2C17H26 ABC2D17E26 -108.98 1.28 -8.31 0.15 0