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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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160770 57389731 1 O2N6C19H20 A2B6C19D20 12.94 3.62 -8.94 -0.91 0
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160771 57389735 1 O3N5C26H31 A3B5C26D31 -71.03 3.97 -8.46 -0.23 0
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160772 57389736 1 O3N5C25H29 A3B5C25D29 -69.09 3.88 -8.39 -0.17 0
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160773 57389737 1 O3N5C27H33 A3B5C27D33 -79.75 3.36 -8.27 -0.04 0
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160774 57389739 1 ON4C23H30 AB4C23D30 11.47 2.21 -8.37 -0.12 0
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160775 57389740 1 FON6H25C28 ABC6D25E28 77.2 2.1 -9.19 -1.2 0
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160776 57389743 1 O3N6C29H30 A3B6C29D30 8.51 1.98 -8.3 -0.66 0
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160777 57389745 2 NOC5H8 ABC5D8 -73.65 4.62 -9.97 -0.56 0
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160779 57389752 1 SO2N4H18C19 AB2C4D18E19 39.88 3.47 -9.0 -0.89 0
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160781 57389757 1 ClSN2O2H19C21 ABC2D2E19F21 -1.59 0.3 -8.81 -0.65 0
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160783 57389761 1 F3N3O4C27H28 A3B3C4D27E28 -282.98 1.67 -8.93 -0.67 0
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160784 57389763 1 SN3O5C27H31 AB3C5D27E31 -162.54 6.41 -9.01 -0.9 0
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160785 57389772 1 FSN4O9C30H31 ABC4D9E30F31 -290.4 3.72 -9.56 -1.34 0
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160786 57389781 1 O3N6C25H34 A3B6C25D34 -82.88 6.1 -8.48 -0.54 0
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160787 57389782 1 O3N5C23H29 A3B5C23D29 -77.44 8.94 -9.1 -0.49 0
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160788 57389783 2 N2O2C11H13 A2B2C11D13 -116.68 7.69 -9.16 -0.54 0
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160789 57389785 1 N5O5C28H37 A5B5C28D37 -202.8 6.34 -8.99 -0.57 0
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160790 57389789 1 N7H17C18 A7B17C18 126.42 5.65 -8.99 -0.73 0
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160792 57389795 1 FO2N5H12C17 AB2C5D12E17 1.99 3.59 -9.05 -1.21 0
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160793 57389797 1 O3N7C24H25 A3B7C24D25 9.16 4.26 -8.69 -1.29 0
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160794 57389798 1 O3N7C23H23 A3B7C23D23 12.75 6.78 -8.66 -1.17 0
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160795 57389799 1 FON7C24H24 ABC7D24E24 90.02 1.03 -9.11 -0.86 0
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160796 57389801 1 FON7H20C21 ABC7D20E21 76.58 4.44 -9.14 -0.92 0
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160797 57389804 1 ON7C22H23 AB7C22D23 115.35 4.52 -8.87 -0.66 0
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160799 57389807 1 ON5C19H19 AB5C19D19 62.55 1.85 -9.01 -0.98 0
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160800 57389809 1 ClOSN5H14C17 ABCD5E14F17 55.76 2.77 -8.9 -1.24 0
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160801 57389816 1 O2N4C21H26 A2B4C21D26 -16.63 4.2 -8.44 -0.18 0
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160802 57389820 1 FO2N5C24H28 AB2C5D24E28 -56.14 4.36 -8.59 -0.57 0
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160803 57389825 1 SO4N5C27H29 AB4C5D27E29 -41.62 4.62 -8.56 -0.77 0
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160804 57389827 1 PNa2N4O6H19C20 AB2C4D6E19F20 -358.47 6.06 -8.71 -0.81 0
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160806 57389841 1 F3O3N4C26H27 A3B3C4D26E27 -227.64 4.7 -9.02 -1.28 0
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160807 57389846 1 SF3N3O5H24C27 AB3C3D5E24F27 -214.62 4.97 -9.23 -1.42 0
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160809 57389848 1 ClFSN3O4H23C26 ABCD3E4F23G26 -79.37 6.35 -9.05 -1.12 0
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160810 57389849 1 SCl2N3O4H23C26 AB2C3D4E23F26 -40.65 6.28 -9.06 -1.13 0
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160811 57389852 1 FN6O7C28H35 AB6C7D28E35 -287.45 3.06 -9.62 -1.16 0
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160813 57389856 1 FO5N6C25H27 AB5C6D25E27 -166.29 7.92 -9.63 -1.03 0
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160814 57389858 1 FN6O7C26H31 AB6C7D26E31 -287.58 7.56 -9.44 -1.07 0
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160815 57389860 1 FO6N7C27H34 AB6C7D27E34 -242.93 6.46 -9.41 -0.99 0
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160816 57389882 1 FON7C23H24 ABC7D23E24 59.72 2.72 -9.07 -0.84 0
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160817 57389887 1 ON5C20H23 AB5C20D23 28.98 1.98 -8.98 -0.97 0
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160818 57389889 1 ON6C19H20 AB6C19D20 72.33 3.19 -8.88 -0.87 0
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160819 57389897 1 ON4C22H28 AB4C22D28 13.06 2.21 -8.37 -0.11 0
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160820 57389898 1 O2N5C23H35 A2B5C23D35 -87.49 1.54 -8.31 -0.06 0
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160821 57389899 1 O2N5C24H37 A2B5C24D37 -89.87 4.87 -8.37 -0.08 0
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160822 57389900 1 O3N5C24H33 A3B5C24D33 -114.93 2.53 -8.27 -0.04 0
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160823 57389901 1 O2N5C24H37 A2B5C24D37 -89.45 1.46 -8.35 -0.08 0
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160824 57389902 1 NaSCl2N2O3C18H21 ABC2D2E3F18G21 -65.49 46.54 -5.98 -1.81 0
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160825 57389903 1 ON7C31H39 AB7C31D39 40.4 5.72 -8.63 -0.64 0
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160826 57389905 1 SO3N8C32H42 AB3C8D32E42 -46.01 4.91 -8.24 -0.36 0
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160827 57389909 1 NO4C29H45 AB4C29D45 -151.44 2.05 -8.1 0.39 0
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160828 57389910 1 NO4C24H35 AB4C24D35 -133.08 1.23 -8.18 0.29 0
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160829 57389911 1 NO4C26H39 AB4C26D39 -143.04 4.56 -8.15 0.3 0
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160830 57389919 1 SN2O3C20H24 AB2C3D20E24 -67.06 2.16 -8.81 -0.53 0
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160833 57389929 1 SN3O4C25H29 AB3C4D25E29 -66.46 9.15 -8.98 -1.1 0
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160834 57389933 1 FN5O6C24H28 AB5C6D24E28 -237.8 5.35 -9.58 -1.15 0
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160836 57389939 1 FO5N6C27H35 AB5C6D27E35 -187.79 7.73 -9.27 -1.06 0
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160837 57389944 1 F2N4O4C21H26 A2B4C4D21E26 -235.53 2.56 -8.69 -0.4 0
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160838 57389946 1 O4N5C22H27 A4B5C22D27 -107.36 4.24 -8.85 -0.41 0
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160840 57389950 1 N2C26H27 A2B26C27 74.41 1.13 0.0 0.0 1
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160841 57389954 1 NSF3H13C17 ABC3D13E17 -92.53 5.57 0.0 0.0 1
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160842 57389958 1 NSH24C25 ABC24D25 80.22 3.38 0.0 0.0 0
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160843 57389959 1 FINSH23C25 ABCDE23F25 90.87 28.88 -5.37 -3.39 0
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160844 57389965 1 O2N7C22H23 A2B7C22D23 44.59 6.08 -8.52 -1.15 0
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160845 57389966 1 O2N7C25H29 A2B7C25D29 27.07 5.64 -8.27 -0.98 0
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160846 57389967 1 OF3N7H20C22 AB3C7D20E22 -29.0 2.91 -9.17 -1.1 0
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160847 57389969 1 ClON7C22H22 ABC7D22E22 108.61 4.76 -8.96 -0.99 0
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160849 57389975 1 ON5C19H25 AB5C19D25 -1.31 1.91 -8.58 -0.53 0
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160850 57389979 1 ON5C17H21 AB5C17D21 11.84 3.67 -8.49 -0.35 0
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160852 57389986 2 FO3N5C29H37 AB3C5D29E37 -296.77 9.19 -9.38 -0.79 0
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160855 57389996 1 Cl2O2N3H15C20 A2B2C3D15E20 18.93 2.58 -9.47 -0.96 0
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160856 57390003 1 F3O3N5C24H24 A3B3C5D24E24 -207.24 10.34 -8.89 -1.1 0
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160857 57390007 1 SF3N3O4C30H30 AB3C3D4E30F30 -197.51 6.28 -8.92 -0.99 0
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160858 57390008 1 SF3N3O5H26C28 AB3C3D5E26F28 -228.24 5.79 -8.84 -0.99 0
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160859 57390010 1 SCl2N3O4H25C26 AB2C3D4E25F26 -75.82 6.8 -9.01 -1.08 0
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160861 57390013 1 FSO5N9C27H32 ABC5D9E27F32 -118.16 7.5 -9.48 -1.53 0
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160864 57390039 1 ON6C16H20 AB6C16D20 29.28 6.77 -8.44 -0.73 0
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160865 57390046 1 FON6H19C21 ABC6D19E21 59.71 6.58 -8.82 -1.04 0
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160868 57390050 1 FON6H21C22 ABC6D21E22 63.32 4.53 -8.84 -0.92 0
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160869 57390056 1 ON5C20H27 AB5C20D27 -6.55 4.53 -8.37 -0.31 0
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160871 57390062 2 O6N13C27H49 A6B13C27D49 -507.27 18.43 -9.02 -0.16 0
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160872 57390068 1 FS2N3O5C21H22 AB2C3D5E21F22 -169.6 5.11 -8.89 -1.47 0
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160874 57390086 1 ClSN3O4C24H24 ABC3D4E24F24 -94.42 6.37 -8.31 -1.11 0
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160876 57390093 1 NO5C31H33 AB5C31D33 -128.13 5.37 -9.25 -0.79 0
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160877 57390095 1 NOF2C25H29 ABC2D25E29 -96.96 3.12 -8.69 -0.16 0
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160880 57390107 1 SN2O4H14C18 AB2C4D14E18 -41.8 3.24 -8.79 -0.92 0
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160881 57390111 1 OSN2H14C15 ABC2D14E15 45.41 2.75 -8.8 -1.59 0
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160882 57390117 1 N3O4C26H37 A3B4C26D37 -119.02 3.61 -8.37 -0.31 0
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160883 57390122 1 ION5H14C21 ABC5D14E21 112.12 3.16 -8.93 -1.42 0
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160884 57390124 1 OSN4H18C23 ABC4D18E23 86.58 4.19 -8.76 -1.34 0
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160885 57390125 1 Cl2N4C11H12 A2B4C11D12 39.19 6.55 -9.13 -0.82 0
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160886 57390129 1 N4C15H20 A4B15C20 41.63 2.73 -8.62 -0.02 0
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160887 57390130 1 NO12C40H41 AB12C40D41 -427.99 15.09 -9.41 -1.01 0
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160888 57390131 1 NO12C40H41 AB12C40D41 -430.23 16.59 -9.45 -0.87 0
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160889 57390133 1 O13C40H44 A13B40C44 -500.3 10.2 -8.62 -0.59 0
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160890 57390143 1 FSN3O3H22C23 ABC3D3E22F23 -89.27 6.21 -9.31 -1.16 0
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160892 57390151 1 NSO3H9C13 ABC3D9E13 -34.19 5.31 -9.41 -1.23 0
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160893 57390154 1 ClN7C19H28 AB7C19D28 37.71 1.56 -8.76 -0.25 0
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160894 57390155 2 OF3H5C7 AB3C5D7 -386.49 1.42 -10.71 -1.53 0
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160898 57390171 1 NO6C22H23 AB6C22D23 -173.64 5.56 -8.95 -1.1 0
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160899 57390172 1 NO5C23H25 AB5C23D25 -143.69 7.72 -8.72 -0.98 0