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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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424818 135124058 2 SO3N4C17H20 AB3C4D17E20 -100.61 7.05 -8.81 -1.25 0
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424819 135124060 1 O3N5C32H35 A3B5C32D35 -8.62 9.05 -9.42 -0.7 0
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424820 135124065 2 SO3N4C17H20 AB3C4D17E20 -99.76 7.02 -8.66 -1.25 0
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424821 135124068 1 S2O4N7C37H45 A2B4C7D37E45 -38.62 3.22 -8.43 -1.16 0
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424822 135124071 1 O3C12H20 A3B12C20 -134.06 1.44 -9.62 0.41 0
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424823 135124074 1 FNO5H28C30 ABC5D28E30 -158.04 8.73 -8.99 -0.55 0
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424824 135124076 1 FNO5H28C30 ABC5D28E30 -146.05 5.08 -8.98 -0.56 0
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424825 135124077 1 N3O3C20H23 A3B3C20D23 -63.09 9.62 -9.05 -0.5 0
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424826 135124078 1 SO4N7C37H43 AB4C7D37E43 -17.9 11.28 -9.09 -1.08 0
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424827 135124100 1 SN3O4C32H39 AB3C4D32E39 -80.82 5.58 -8.74 -0.07 0
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424828 135124109 2 ON3C16H20 AB3C16D20 4.28 7.09 -8.83 -0.47 0
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424829 135124111 1 O3C10H16 A3B10C16 -103.27 3.31 -10.28 -0.16 0
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424830 135124125 2 OC9H9 AB9C9 -38.48 1.98 -9.33 -0.86 0
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424831 135124126 1 SF3O3N4H31C35 AB3C3D4E31F35 -158.64 8.38 -9.06 -1.04 0
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424832 135124128 1 IN2O3H9C13 AB2C3D9E13 51.74 0.85 -8.15 -1.8 0
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424833 135124135 1 SO5N6C33H44 AB5C6D33E44 -118.5 7.18 -8.36 -0.58 0
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424834 135124140 1 SO5N6C33H44 AB5C6D33E44 -118.97 7.91 -8.71 -0.87 0
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424835 135124144 1 O3N4C34H36 A3B4C34D36 -3.79 2.78 -8.4 -0.61 0
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424836 135124145 1 FN4O5H33C34 AB4C5D33E34 -132.89 4.04 -8.51 -0.94 0
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424837 135124149 1 O3N4C31H34 A3B4C31D34 -9.89 8.88 -8.89 -0.61 0
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424838 135124150 2 ON2C9H9 AB2C9D9 -22.32 3.24 -8.43 -0.01 0
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424839 135124151 1 SO4N5C32H37 AB4C5D32E37 -56.79 5.98 -9.09 -0.65 0
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424840 135124152 1 FN2O5H29C32 AB2C5D29E32 -117.09 4.18 -9.06 -1.2 0
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424841 135124156 1 S2O4N5C26H35 A2B4C5D26E35 -102.87 10.59 -9.26 -1.02 0
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424842 135124158 1 N2O3C13H14 A2B3C13D14 -44.5 3.91 -9.52 -1.43 0
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424843 135124161 1 OF2N4H18C21 AB2C4D18E21 -40.26 3.41 -8.54 -0.82 0
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424844 135124162 1 FNO3C18H18 ABC3D18E18 -132.79 3.54 -9.34 -0.5 0
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424845 135124163 1 SN2F3O3H21C25 AB2C3D3E21F25 -201.13 2.94 -8.93 -1.29 0
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424846 135124166 1 ClSO4N6C35H37 ABC4D6E35F37 -33.57 6.32 -8.85 -0.71 0
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424847 135124171 1 FSN4O4C30H33 ABC4D4E30F33 -118.85 7.53 -9.32 -0.97 0
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424848 135124173 1 FSN4O4C30H33 ABC4D4E30F33 -120.72 8.63 -9.36 -0.97 0
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424849 135124181 1 N2O3C9H16 A2B3C9D16 -140.78 9.11 -9.64 0.3 0
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424850 135124185 1 SN2F3O4C31H31 AB2C3D4E31F31 -260.93 10.01 -9.19 -1.0 0
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424851 135124194 1 SN5O8C37H45 AB5C8D37E45 -253.08 1.81 -9.2 -0.74 0
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424852 135124204 1 O2N7C36H41 A2B7C36D41 50.1 3.31 -9.12 -0.72 0
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424853 135124206 1 SF3O4N5C30H30 AB3C4D5E30F30 -187.88 6.8 -9.14 -1.01 0
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424854 135124211 1 Cl2O2N3C21H23 A2B2C3D21E23 -32.69 2.49 -9.15 -0.61 0
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424855 135124212 1 SO4N8C40H50 AB4C8D40E50 -44.87 7.02 -8.33 -0.56 0
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424856 135124213 1 SO4N8C40H48 AB4C8D40E48 -40.49 7.73 -9.09 -0.66 0
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424857 135124215 1 SO4N8C40H48 AB4C8D40E48 -41.44 7.7 -8.97 -0.66 0
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424858 135124220 1 SO5N8C34H38 AB5C8D34E38 -48.98 9.56 -9.16 -1.18 0
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424859 135124221 1 SO5N8C34H40 AB5C8D34E40 -55.07 8.83 -8.74 -0.99 0
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424860 135124225 1 SF3O3N5C34H40 AB3C3D5E34F40 -212.65 3.04 -8.79 -0.92 0
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424861 135124228 1 SF3O3N6C38H41 AB3C3D6E38F41 -172.01 6.11 -9.0 -1.11 0
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424862 135124229 1 SO5N7C34H45 AB5C7D34E45 -126.07 6.77 -8.59 -0.84 0
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424863 135124253 1 ClSO2N5C17H18 ABC2D5E17F18 7.33 1.72 -8.59 -0.53 0
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424864 135124256 1 SO5N7C35H37 AB5C7D35E37 -39.3 10.35 -8.68 -1.2 0
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424865 135124260 1 SO4N10C30H34 AB4C10D30E34 32.7 2.66 -9.33 -1.1 0
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424866 135124270 1 ClN3O3C20H26 AB3C3D20E26 -85.14 2.29 -9.6 -0.41 0
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424867 135124278 1 SF3O4N5C31H32 AB3C4D5E31F32 -187.41 6.57 -8.88 -1.33 0
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424868 135124280 1 BrF3O5N6C31H32 AB3C5D6E31F32 -180.06 11.71 -8.87 -0.75 0
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424869 135124281 1 BrO3N6C29H31 AB3C6D29E31 58.24 6.92 -8.86 -0.46 0
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424870 135124283 1 SO5N6C28H32 AB5C6D28E32 -54.63 2.08 -8.43 -0.66 0
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424871 135124285 1 SO4N7C32H39 AB4C7D32E39 -50.57 6.4 -9.03 -0.59 0
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424872 135124286 1 SO5N6C28H32 AB5C6D28E32 -53.29 3.8 -8.42 -0.56 0
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424873 135124290 1 SO4N7C32H41 AB4C7D32E41 -55.35 8.8 -8.24 -0.44 0
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424874 135124291 1 SO4N6C34H42 AB4C6D34E42 -66.77 12.69 -8.64 -0.67 0
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424875 135124292 1 SO4N6C34H42 AB4C6D34E42 -66.7 10.1 -8.62 -0.76 0
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424876 135124293 2 CSO2H4 ABC2D4 -196.38 4.42 -9.69 -1.11 0
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424877 135124294 1 O2N4C27H30 A2B4C27D30 3.64 4.27 -8.49 -0.7 0
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424878 135124297 1 O2N3H21C23 A2B3C21D23 43.72 2.98 -8.61 -0.75 0
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424879 135124299 1 SO6N7C38H47 AB6C7D38E47 -120.34 7.3 -8.57 -0.68 0
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424880 135124300 1 SN4O5H28C29 AB4C5D28E29 -70.19 6.3 -8.75 -1.12 0
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424881 135124301 1 SO4N7C34H39 AB4C7D34E39 -28.72 8.89 -8.78 -0.99 0
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424882 135124307 1 BrSO4N5C29H30 ABC4D5E29F30 -22.5 8.48 -9.49 -0.91 0
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424883 135124308 1 NSO2F3C12H14 ABC2D3E12F14 -232.51 7.55 -10.03 -1.06 0
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424884 135124314 1 ClON2C11H17 ABC2D11E17 -59.23 1.05 -9.22 -0.24 0
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424885 135124319 1 SF3O4N7C35H38 AB3C4D7E35F38 -191.68 12.8 -8.9 -1.23 0
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424886 135124325 1 FSO4N6C31H37 ABC4D6E31F37 -113.59 8.37 -9.12 -0.97 0
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424887 135124329 1 ClN2O3C9H17 AB2C3D9E17 -158.86 4.11 -9.72 0.31 -1
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424888 135124330 1 OPF6H14C17 ABC6D14E17 -354.25 12.76 0.0 0.0 0
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424889 135124331 1 NSO3C10H13 ABC3D10E13 -102.11 7.06 -9.76 -0.62 0
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424890 135124332 1 SO4N5H31C33 AB4C5D31E33 -17.83 3.51 -9.37 -1.14 0
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424891 135124336 1 S2N4O5C30H36 A2B4C5D30E36 -117.47 7.42 -9.0 -0.63 0
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424892 135124340 1 ClS2N5O5C26H28 AB2C5D5E26F28 -89.38 8.64 -9.34 -0.98 0
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424893 135124351 1 SN3O3C21H27 AB3C3D21E27 -73.2 2.35 -8.99 -0.43 0
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424894 135124353 1 BrSO3C11H13 ABC3D11E13 -104.06 4.85 -10.3 -1.19 0
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424895 135124362 1 S2O5N6C28H34 A2B5C6D28E34 -108.76 10.03 -8.96 -1.06 0
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424896 135124364 1 SO5N6C32H40 AB5C6D32E40 -113.33 3.45 -8.88 -0.94 0
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424897 135124368 1 ClS2N4O5C29H33 AB2C4D5E29F33 -105.28 6.42 -9.42 -0.84 0
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424898 135124369 1 N3O4C21H25 A3B4C21D25 -104.98 4.44 -8.85 -0.65 0
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424899 135124370 1 ClS2N4O5C29H33 AB2C4D5E29F33 -105.1 11.09 -9.4 -0.93 0
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424900 135124371 1 O3N4C13H18 A3B4C13D18 -39.18 5.76 -8.81 0.09 0
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424901 135124373 1 SO4N8C38H46 AB4C8D38E46 -35.37 6.51 -9.06 -0.66 0
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424902 135124376 1 S2O4N5C26H35 A2B4C5D26E35 -111.0 6.61 -9.09 -0.99 0
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424903 135124379 1 SN4O5C33H42 AB4C5D33E42 -133.53 11.02 -8.54 -0.41 0
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424904 135124381 1 SN4O5C33H40 AB4C5D33E40 -127.13 7.74 -8.65 -0.49 0
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424905 135124383 1 SN4O5C33H42 AB4C5D33E42 -124.13 2.41 -8.24 -0.25 0
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424906 135124385 1 SO2N6C31H42 AB2C6D31E42 -8.83 6.28 -8.75 -0.69 0
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424907 135124391 1 SN5O6C34H43 AB5C6D34E43 -176.62 4.28 -8.37 -0.46 0
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424908 135124404 1 SO5N8C39H46 AB5C8D39E46 -72.34 6.41 -8.92 -0.9 0
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424909 135124405 1 SO6N7C42H53 AB6C7D42E53 -134.28 5.68 -8.99 -0.83 0
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424910 135124407 1 O3N5C33H37 A3B5C33D37 -5.39 5.73 -9.08 -0.46 0
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424911 135124417 1 SO3N5C31H39 AB3C5D31E39 -35.64 10.83 -8.87 -0.57 0
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424912 135124420 1 SO3N7C37H45 AB3C7D37E45 -1.67 3.41 -8.39 -0.53 0
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424913 135124421 1 N4O5C36H36 A4B5C36D36 -77.2 9.3 -8.8 -0.28 0
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424914 135124424 1 BrON2C10H15 ABC2D10E15 -28.79 2.03 -8.42 0.07 0
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424915 135124430 1 SN2F3O4H29C30 AB2C3D4E29F30 -257.05 9.42 -9.27 -1.08 0
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424916 135124444 1 SO4N7C36H41 AB4C7D36E41 -28.53 10.83 -9.22 -0.82 0
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424917 135124448 1 ClSN2O3C9H13 ABC2D3E9F13 -105.77 5.95 -10.14 -1.22 0