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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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139113 52475571 1 ClSO2N3C17H18 ABC2D3E17F18 -36.68 7.77 -8.33 -0.43 0
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139114 52475572 1 ClSO3N4H19C22 ABC3D4E19F22 -49.36 5.11 -8.99 -0.67 0
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139115 52475573 1 ClSO3N4H19C22 ABC3D4E19F22 -45.0 5.49 -9.07 -0.68 0
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139116 52475574 1 ClSN4O5H13C19 ABC4D5E13F19 -34.35 8.44 -9.34 -1.65 0
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139117 52475603 1 ClN2S2O3H17C19 AB2C2D3E17F19 -76.73 3.18 -8.58 -0.87 0
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139118 52475858 1 OSN5H19C26 ABC5D19E26 103.75 3.05 -7.96 -1.5 0
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139119 52475993 1 OSN3H21C24 ABC3D21E24 66.95 7.04 -9.22 -1.12 0
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139120 52476200 2 NOC11H14 ABC11D14 -49.9 4.85 -8.62 0.22 0
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139121 52476214 1 N2O5C15H20 A2B5C15D20 -199.02 3.3 -8.53 -0.3 0
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139122 52476294 1 ClSN2O5C17H19 ABC2D5E17F19 -132.21 6.21 -9.49 -0.85 0
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139123 52476748 1 SO2N4C20H28 AB2C4D20E28 -40.72 4.75 -8.69 -0.7 0
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139124 52477007 1 N2O2Cl3C13H13 A2B2C3D13E13 -99.83 7.14 -8.9 -0.66 0
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139125 52477284 1 NO5H21C23 AB5C21D23 -109.63 3.65 -8.48 -0.37 2
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139126 52477430 1 ON3C21H37 AB3C21D37 -56.21 2.41 -7.99 0.42 0
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139127 52477837 1 SO2N4C19H28 AB2C4D19E28 -38.39 3.18 -8.67 -0.08 0
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139128 52477838 1 SO2N4C18H26 AB2C4D18E26 -38.26 4.69 -9.02 -0.45 0
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139129 52477839 1 SO2N4C18H26 AB2C4D18E26 -40.06 4.73 -8.95 -0.41 0
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139130 52478101 2 NO3H11C12 AB3C11D12 -141.3 2.4 -8.49 -0.5 0
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139131 52478236 1 N2O5C26H32 A2B5C26D32 -214.96 7.09 -8.47 0.01 0
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139132 52478890 1 OSN4C22H26 ABC4D22E26 54.48 4.49 -8.68 -0.19 0
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139133 52479084 1 N2Cl4O4H10C15 A2B4C4D10E15 -125.59 2.92 -10.19 -1.69 0
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139134 52479101 1 O3N4C12H18 A3B4C12D18 -27.32 8.9 -9.15 -1.29 0
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139135 52479418 1 NF2O6C23H23 AB2C6D23E23 -281.23 1.79 -8.84 -1.18 0
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139136 52480003 1 SN2O3C19H20 AB2C3D19E20 -86.52 8.23 -9.03 -0.84 0
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139137 52480155 1 ClN2O3C19H21 AB2C3D19E21 -91.67 2.22 -9.56 -0.33 0