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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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176852 76105555 2 O2C11H17 A2B11C17 -178.42 8.15 -10.02 -0.27 0
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176853 76105556 2 N2O2C13H15 A2B2C13D15 -119.06 4.23 -9.33 -1.24 0
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176854 76105557 2 OC16H28 AB16C28 -153.79 1.68 -9.87 2.08 1
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176855 76105558 1 S2N7O8C20H20 A2B7C8D20E20 -139.13 14.91 0.0 0.0 0
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176856 76105830 1 FN2O6C34H39 AB2C6D34E39 -252.85 4.64 -8.82 -0.19 0
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176857 76105921 1 NO5C7H13 AB5C7D13 -223.77 1.35 -10.13 -0.44 0
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176858 76105922 2 SN2O5C10H13 AB2C5D10E13 -289.23 9.52 -8.63 -1.55 0
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176859 76105923 1 F3O3N4C21H23 A3B3C4D21E23 -218.23 11.69 -8.87 -0.89 0
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176860 76106137 1 N5O5C18H21 A5B5C18D21 -39.69 6.68 -8.89 -2.24 0
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176861 76106138 1 ON3C5H11 AB3C5D11 -30.09 4.87 -9.57 0.96 0
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176862 76106139 1 O4N5C30H41 A4B5C30D41 -158.36 8.88 -9.34 -1.13 0
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176863 76106175 2 SN3O3C16H17 AB3C3D16E17 -139.65 12.6 -8.27 -0.95 0
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176864 76106811 2 FO2C15H16 AB2C15D16 -238.55 3.84 -9.52 -1.1 0
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176865 76106812 1 N3O4C28H35 A3B4C28D35 -142.62 5.27 -8.59 -0.18 0
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176866 76106813 1 Cl2S4O20N34C145H194 A2B4C20D34E145F194 -387.88 12.4 -8.5 -1.31 0
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176867 76106814 1 NSO4C23H33 ABC4D23E33 -144.78 6.09 -8.19 -0.23 0
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176868 76106815 1 I3N4O7C24H33 A3B4C7D24E33 -254.37 7.26 -9.15 -1.69 0
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176869 76106816 1 ClSN2O3C14H21 ABC2D3E14F21 -110.77 3.61 -9.62 -0.47 0
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176870 76106817 1 O2C27H42 A2B27C42 -93.39 4.81 -8.94 0.23 0
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176871 76106818 1 N7O8C26H33 A7B8C26D33 -252.46 9.11 -10.03 -1.59 0
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176872 76106819 1 S2N6O9C19H22 A2B6C9D19E22 -254.61 5.05 -9.68 -1.5 0
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176873 76106820 1 SO2C12H20 AB2C12D20 -56.84 1.43 -8.64 0.32 0
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176874 76106821 1 O5N6C32H34 A5B6C32D34 -68.52 2.57 -8.72 -0.27 0
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176875 76106822 1 NO4C37H47 AB4C37D47 -172.24 0.98 -9.18 0.09 0
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176876 76106836 1 FO4N9C24H40 AB4C9D24E40 -158.71 6.58 -9.29 0.17 0
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176877 76107104 1 N4O8C17H22 A4B8C17D22 -254.72 2.95 -9.53 -0.45 0
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176878 76107201 3 N2O3C9H12 A2B3C9D12 -280.81 12.76 -9.35 -1.01 0
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176879 76107211 1 SN3O4H9C10 AB3C4D9E10 -103.53 2.05 -9.1 -0.83 0
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176880 76107212 1 O9N10C38H48 A9B10C38D48 -274.52 7.54 -9.68 -1.38 0
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176881 76107213 1 O2N5C19H25 A2B5C19D25 -3.45 4.53 -8.9 -0.31 0
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176882 76107214 1 N2O2H6C9 A2B2C6D9 54.08 5.45 -9.65 -1.81 0
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176883 76107219 1 N2O3C9H18 A2B3C9D18 -142.56 2.15 -9.82 -0.5 1
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176884 76107594 1 S2O5N7C20H22 A2B5C7D20E22 -27.55 8.97 0.0 0.0 1
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176885 76107943 1 ClNSO2C24H27 ABCD2E24F27 -50.13 4.12 0.0 0.0 0
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176886 76108057 1 ON3C21H27 AB3C21D27 44.61 4.18 -7.89 -0.63 0
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176887 76108100 1 SN4O4C10H12 AB4C4D10E12 -83.67 2.96 -9.7 -1.21 0
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176888 76108101 1 O2N3C16H29 A2B3C16D29 -96.79 1.93 -9.29 -0.67 0
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176889 76108102 1 O4C19H30 A4B19C30 -239.62 3.28 -9.76 0.69 0
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176890 76108103 1 FO5C26H31 AB5C26D31 -246.21 3.6 -8.98 -0.62 0
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176891 76108104 1 NSO7C9H17 ABC7D9E17 -296.87 3.21 -9.59 -1.28 0
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176892 76108105 2 N2O3C12H12 A2B3C12D12 -95.06 7.51 -8.46 -1.74 1
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176893 76108106 1 N3O4C7H8 A3B4C7D8 -90.93 6.58 0.0 0.0 0
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176894 76108107 1 FNC18H20 ABC18D20 -3.78 2.2 -9.1 -0.11 0
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176895 76108108 1 N2O5C27H30 A2B5C27D30 -106.19 7.03 -8.9 -0.69 0
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176896 76108109 1 O3N5C18H27 A3B5C18D27 -104.48 5.26 -9.36 0.36 0
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176897 76108110 1 N2O2C29H44 A2B2C29D44 -120.78 4.13 -8.72 0.18 1
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176898 76108111 1 ON3H16C18 AB3C16D18 59.29 1.56 0.0 0.0 0
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176899 76108143 1 SN2O2C40H42 AB2C2D40E42 -4.53 2.53 -8.17 -0.26 0
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176900 76108144 1 N2O3F4H4C9 A2B3C4D4E9 -256.2 3.77 -10.28 -2.35 0
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176901 76108318 1 F3O4C17H21 A3B4C17D21 -340.31 3.2 -8.93 0.06 1