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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
Show
432797 135172934 1 F2N10O17C56H74 A2B10C17D56E74 -810.05 7.58 -8.94 -1.31 0
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432798 135172935 1 ON9C27H29 AB9C27D29 144.97 8.64 -7.96 -2.2 0
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432799 135172936 2 O2H25C37 A2B25C37 115.12 2.37 -8.18 -1.14 0
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432800 135172937 1 ON10C25H28 AB10C25D28 143.7 4.53 -7.94 -2.22 0
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432801 135172938 1 F2O7N9C47H59 A2B7C9D47E59 -345.51 2.2 -8.84 -0.46 0
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432802 135172939 1 O3N6C21H22 A3B6C21D22 23.17 37.52 -7.68 -2.64 0
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432803 135172940 1 N3O6C17H23 A3B6C17D23 -251.48 5.47 -9.47 -0.37 0
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432804 135172941 1 F2N6O8C49H68 A2B6C8D49E68 -441.1 6.95 -8.65 -0.26 0
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432805 135172942 1 O3N5C15H21 A3B5C15D21 -78.79 2.05 -8.75 -0.45 0
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432806 135172943 1 F2N8O13C50H62 A2B8C13D50E62 -619.27 15.4 -9.01 -1.67 0
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432807 135172944 1 NC19H39 AB19C39 -80.15 1.36 -8.39 2.89 0
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432808 135172945 1 F2N10O19C57H72 A2B10C19D57E72 -889.73 11.05 -9.05 -0.77 1
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432809 135172946 3 N2C7H9 A2B7C9 107.76 2.66 0.0 0.0 0
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432810 135172947 1 NO3H11C14 AB3C11D14 -66.12 6.43 -8.51 -0.79 0
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432811 135172948 1 N3O3C28H35 A3B3C28D35 -77.73 4.98 -8.56 0.1 0
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432812 135172949 2 N3H9C10 A3B9C10 167.05 6.49 -8.24 -1.12 1
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432813 135172950 1 ON5C15H16 AB5C15D16 70.57 6.27 0.0 0.0 0
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432814 135172951 1 ON5C15H15 AB5C15D15 91.17 8.93 -8.34 -1.13 0
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432815 135172952 1 N5C20H23 A5B20C23 84.84 3.48 -7.54 -0.06 0
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432816 135172953 1 N9H17C22 A9B17C22 231.7 5.27 -8.64 -1.73 0
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432817 135172954 1 N9H19C23 A9B19C23 218.84 1.98 -8.44 -1.57 0
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432818 135172955 1 N7O33C73H119 A7B33C73D119 -1516.46 3.85 -7.84 -0.53 0
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432819 135172956 1 ON9H23C27 AB9C23D27 188.17 3.77 -8.85 -2.43 0
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432820 135172957 1 ClO2N4C26H27 AB2C4D26E27 -2.12 5.05 -8.64 -0.71 0
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432821 135172958 1 O3N4H28C31 A3B4C28D31 3.0 3.69 -8.38 -0.58 0
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432822 135172959 1 FN8H25C28 AB8C25D28 157.0 6.11 -8.75 -2.44 0
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432823 135172960 1 ON9H21C26 AB9C21D26 204.06 11.5 -8.87 -2.46 0
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432824 135172961 1 NO3H15C16 AB3C15D16 -73.7 3.24 -8.42 -0.45 0
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432825 135172962 2 OH25C39 AB25C39 235.94 1.46 -8.45 -0.72 0
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432826 135172963 2 OH27C40 AB27C40 247.7 2.33 -8.4 -0.59 0
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432827 135172964 1 FSN7O11C50H80 ABC7D11E50F80 -584.99 9.31 -8.96 -0.55 0
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432828 135172965 1 ClFO2N4C26H26 ABC2D4E26F26 -47.67 5.7 -8.47 -0.77 0
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432829 135172966 1 ON9H23C30 AB9C23D30 207.45 4.3 -8.88 -2.47 0
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432830 135172967 1 O2N4C27H32 A2B4C27D32 -10.46 5.37 -8.18 -0.7 0
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432831 135172968 1 FON9C26H28 ABC9D26E28 86.52 6.89 -7.96 -2.21 0
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432832 135172969 1 NO3C17H17 AB3C17D17 -72.69 0.71 -8.32 -0.44 0
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432833 135172970 1 N5O8C44H73 A5B8C44D73 -407.31 8.57 -8.79 -0.03 0
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432834 135172971 1 N5O8C40H69 A5B8C40D69 -422.03 2.55 -8.99 0.04 0
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432835 135172972 1 ON10C26H28 AB10C26D28 174.11 9.02 -7.98 -2.28 0
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432836 135172973 1 N2O4C23H34 A2B4C23D34 -176.9 5.25 -9.48 0.22 0
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432837 135172974 1 ON9C25H27 AB9C25D27 134.49 3.14 -8.05 -2.23 0
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432838 135172975 1 SN8H18C22 AB8C18D22 213.95 6.2 -8.46 -1.52 0
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432839 135172976 1 SN7O11C49H77 AB7C11D49E77 -495.54 9.04 -8.88 -0.21 0
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432840 135172977 1 ClN5O8C40H64 AB5C8D40E64 -334.25 8.56 -9.17 0.14 0
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432841 135172978 1 ClN2O6C28H41 AB2C6D28E41 -289.38 4.51 -9.26 -0.06 0
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432842 135172979 1 ClN6O11C51H77 AB6C11D51E77 -495.7 11.84 -9.27 -1.47 0
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432843 135172980 1 FON8H25C28 ABC8D25E28 106.65 3.33 -8.8 -2.44 0
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432844 135172981 1 NOC19H37 ABC19D37 -75.39 1.27 -9.47 1.44 0
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432845 135172982 1 N5O8C42H69 A5B8C42D69 -380.34 7.93 -9.0 -0.22 0
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432846 135172983 1 ON10H24C29 AB10C24D29 206.57 13.14 -8.58 -2.59 0
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432847 135172984 1 FN5O8C41H66 AB5C8D41E66 -415.83 7.87 -8.91 -0.18 0
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432848 135172985 1 N5O8C41H67 A5B8C41D67 -372.59 12.33 -9.12 0.01 0
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432850 135172987 1 ON9H23C26 AB9C23D26 171.08 3.74 -8.85 -2.44 0
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432851 135172988 1 ON10C26H30 AB10C26D30 139.91 9.41 -7.95 -2.24 0
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432852 135172989 1 N3O6H31C39 A3B6C31D39 -85.67 3.79 -8.57 -0.73 0
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432853 135172990 2 NO3H15C16 AB3C15D16 -163.25 9.03 -8.91 -0.62 0
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432854 135172991 2 N2O6H27C31 A2B6C27D31 -279.65 15.47 -9.02 -0.92 0
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432855 135172992 1 N2O7H28C38 A2B7C28D38 -122.82 9.84 -9.07 -0.63 0
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432856 135172993 1 N2O6H28C31 A2B6C28D31 -156.85 7.6 -9.03 -0.62 0
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432857 135172994 2 NO3H14C16 AB3C14D16 -123.23 7.99 -9.08 -0.63 0
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432858 135172995 1 FON9H20C26 ABC9D20E26 165.65 10.69 -8.84 -2.44 0
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432859 135172996 1 F2N10O15C53H66 A2B10C15D53E66 -694.33 7.2 -8.89 -1.98 0
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432860 135172997 1 BrF2N10O18C60H85 AB2C10D18E60F85 -825.59 18.39 -8.32 -2.14 0
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432861 135172998 1 FO2N8H19C25 AB2C8D19E25 123.08 9.94 -8.78 -2.42 0
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432862 135172999 1 F2N9O16C58H79 A2B9C16D58E79 -764.36 11.09 -8.6 -0.73 0
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432863 135173000 1 FSO3N9H26C28 ABC3D9E26F28 35.15 7.78 -8.88 -2.49 0
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432864 135173001 1 FOSN8H19C25 ABCD8E19F25 159.46 10.02 -8.74 -2.44 0
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432865 135173002 1 FON10C26H29 ABC10D26E29 101.69 8.72 -7.93 -2.26 0
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432866 135173003 1 FON9C25H26 ABC9D25E26 92.19 7.97 -7.97 -2.24 0
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432867 135173004 1 OSN7H21C24 ABC7D21E24 166.5 7.79 -8.54 -1.85 0
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432868 135173005 1 FOSN8H19C24 ABCD8E19F24 131.93 5.53 -8.8 -2.46 0
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432869 135173006 1 ON6C18H18 AB6C18D18 84.83 8.08 -8.14 -0.88 1
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432870 135173007 1 ON6C19H21 AB6C19D21 115.66 3.85 0.0 0.0 0
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432871 135173008 1 FOSN8H21C25 ABCD8E21F25 126.74 11.32 -8.72 -2.41 0
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432872 135173009 1 FOSN8H21C29 ABCD8E21F29 164.54 10.54 -8.72 -2.43 0
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432873 135173010 1 SF2O3N9H27C33 AB2C3D9E27F33 27.03 11.73 -8.92 -2.52 0
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432874 135173011 1 FO2N8H27C29 AB2C8D27E29 60.74 5.45 -8.83 -2.54 0
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432875 135173012 1 FOSN8H25C27 ABCD8E25F27 114.86 6.2 -8.68 -2.44 0
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432876 135173013 1 FON10C27H31 ABC10D27E31 95.23 10.31 -7.91 -2.28 0
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432877 135173014 2 O2H33C45 A2B33C45 192.78 4.96 -8.01 -0.78 0
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432878 135173015 1 FO2N8H25C28 AB2C8D25E28 69.65 1.94 -8.76 -2.44 0
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432879 135173016 2 O2C3H3 A2B3C3 -91.83 2.61 -9.18 -0.45 0
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432880 135173017 1 SF2O3N9H27C29 AB2C3D9E27F29 -10.43 6.3 -8.87 -2.49 0
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432881 135173018 2 O2H27C35 A2B27C35 101.03 2.45 -8.42 -0.2 0
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432882 135173019 1 OSF2N8H20C25 ABC2D8E20F25 79.39 5.86 -8.83 -2.47 0
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432883 135173020 1 ON9H25C29 AB9C25D29 228.17 4.92 -7.87 -2.46 0
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432884 135173021 1 NO3H13C14 AB3C13D14 -78.54 5.25 -9.1 -0.56 0
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432885 135173022 1 NSC5H9 ABC5D9 26.1 2.43 -8.71 0.47 0
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432886 135173023 2 ON2C5H6 AB2C5D6 -2.72 4.45 -9.77 -0.3 0
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432887 135173024 1 N4O7C18H24 A4B7C18D24 -297.18 5.24 -9.58 -0.1 0
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432888 135173025 1 ON9H21C26 AB9C21D26 204.72 10.77 -8.8 -2.42 0
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432889 135173026 1 FN9C28H34 AB9C28D34 122.89 3.62 -8.56 -1.97 0
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432890 135173027 2 SH15C21 AB15C21 170.31 2.8 -8.52 -0.41 0
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432891 135173028 2 OH27C39 AB27C39 226.52 1.64 -8.65 -0.35 0
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432892 135173029 2 OH39C57 AB39C57 368.15 1.98 -8.58 -0.41 0
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432893 135173030 2 OH21C30 AB21C30 151.12 0.66 -8.74 -0.24 0
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432894 135173031 2 OH25C36 AB25C36 200.49 1.56 -8.68 -0.29 0
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432895 135173032 1 N4O9C26H30 A4B9C26D30 -356.95 3.03 -9.61 -0.31 0
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432896 135173033 3 NO2C7H11 AB2C7D11 -288.27 3.51 -9.76 -0.25 0
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432897 135173034 1 N3O6C20H29 A3B6C20D29 -267.24 1.19 -9.65 -0.37 0