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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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190844 78067864 1 O3C12H16 A3B12C16 -91.2 2.69 -8.25 0.16 0
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190845 78067985 1 O2C19H26 A2B19C26 -72.96 1.38 -9.59 -0.3 0
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190846 78067986 2 OC7H7 AB7C7 -33.37 2.47 -9.56 -0.5 0
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190847 78067987 1 O6N8C23H28 A6B8C23D28 -201.08 7.69 -8.46 -0.13 0
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190848 78068333 1 N5O6C21H31 A5B6C21D31 -274.07 7.03 -9.5 0.03 0
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190849 78068334 1 N6O7C24H36 A6B7C24D36 -323.2 10.68 -9.62 -0.03 0
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190850 78068562 2 NO2C10H12 AB2C10D12 -125.91 5.54 -9.37 -0.23 0
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190851 78068950 1 NOCl2C17H23 ABC2D17E23 -66.62 3.36 -9.2 -0.41 0
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190852 78068951 1 NOF2H11C13 ABC2D11E13 -83.89 2.48 -9.97 -0.94 0
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190853 78068952 1 ClFNOH11C13 ABCDE11F13 -46.68 2.47 -9.86 -0.94 0
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190854 78069489 1 NO5C11H13 AB5C11D13 -109.7 4.35 -10.13 -1.62 -1
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190855 78069533 1 O6C24H35 A6B24C35 -240.74 4.47 0.0 0.0 0
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190856 78069534 6 OC4H6 AB4C6 -299.44 9.48 -9.98 0.05 0
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190857 78069813 1 PO10C25H49 AB10C25D49 -593.09 5.67 -10.34 -0.02 1
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190858 78069814 1 NPO7C36H69 ABC7D36E69 -380.55 3.04 0.0 0.0 -1
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190859 78069815 1 SO4N7C18H26 AB4C7D18E26 -36.77 4.21 0.0 0.0 0
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190860 78070082 1 WC14H18 AB14C18 67.79 1.03 -6.18 0.47 0
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190861 78070083 1 FON2C6H11 ABC2D6E11 -105.52 3.95 -10.16 0.89 0
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190862 78070084 1 OTiC2Cl3H3 ABC2D3E3 -30.26 3.58 -8.84 -4.14 0
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190863 78070085 1 ClZnO2C6H11 ABC2D6E11 -119.76 2.88 -9.05 -1.66 0
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190864 78070086 1 NSiO2C19H30 ABC2D19E30 -88.93 3.39 0.0 0.0 0
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190865 78070125 1 NaS2N3O7H28C29 AB2C3D7E28F29 -182.73 23.25 -8.11 -1.82 0
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190866 78070126 1 NaS2N3O7C33H36 AB2C3D7E33F36 -127.61 36.39 -8.16 -2.39 0
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190867 78070127 1 NaS2N3O6C30H30 AB2C3D6E30F30 -171.76 6.48 -8.08 -1.69 0
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190868 78070128 1 NaS2N3O6H36C37 AB2C3D6E36F37 -128.14 7.13 -8.06 -1.4 0