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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80774 49836678 1 O11C19H34 A11B19C34 -449.02 1.29 -9.34 1.12 0
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80775 49836679 2 O5C10H18 A5B10C18 -417.59 1.57 -9.26 1.21 0
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80776 49836682 1 N3O3C15H29 A3B3C15D29 -184.95 3.07 -9.26 0.62 0
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80777 49836685 1 ON2C13H20 AB2C13D20 -47.19 5.31 -9.02 -0.3 0
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80778 49836686 1 N3O4C26H33 A3B4C26D33 -159.55 7.0 -9.45 -0.27 0
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80779 49836688 1 O3N5H49C52 A3B5C49D52 71.77 5.42 -8.91 -0.25 0
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80780 49836689 1 O2N5H47C52 A2B5C47D52 136.69 7.09 -8.35 -0.29 0
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80781 49836691 1 SO2C5N6H8 AB2C5D6E8 41.31 4.53 -9.33 -1.0 0
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80782 49836692 1 FNSO5C16H16 ABCD5E16F16 -128.03 3.53 -9.72 -0.86 0
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80783 49836695 1 O3C12H16 A3B12C16 -123.04 6.85 -10.0 -0.74 0
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80784 49836696 1 O5C12H14 A5B12C14 -196.74 6.1 -10.45 -0.8 0
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80785 49836719 1 SO2N4C18H20 AB2C4D18E20 9.53 7.72 -8.32 -0.78 0
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80786 49836720 1 SO3N4C18H20 AB3C4D18E20 -25.96 5.48 -8.35 -0.8 0
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80787 49836721 1 SO2F3N4H17C18 AB2C3D4E17F18 -143.02 3.26 -8.55 -1.36 0
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80788 49836722 1 ClOSN3H12C18 ABCD3E12F18 53.14 7.27 -8.8 -1.22 0
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80789 49836723 1 OSN3H15C19 ABC3D15E19 53.89 5.36 -8.62 -1.12 0
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80790 49836724 1 OSN3H15C19 ABC3D15E19 57.23 3.5 -8.89 -1.03 0
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80791 49836725 1 SO2N3H15C19 AB2C3D15E19 24.7 3.96 -8.32 -0.96 0
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80792 49836726 1 OSN3H15C19 ABC3D15E19 63.99 6.74 -8.65 -1.16 0
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80793 49836727 1 FSN3O7C31H36 ABC3D7E31F36 -284.24 7.05 -9.38 -0.41 0
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80794 49836728 1 FSN3O8C31H34 ABC3D8E31F34 -306.44 7.02 -8.99 -1.14 0
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80795 49841130 1 SO2N5C25H27 AB2C5D25E27 16.32 5.16 -9.34 -1.3 0
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80796 49845792 1 SiO3C26H44 AB3C26D44 -208.88 4.68 -8.99 -0.49 0
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80797 49845793 1 Si3O5C26H56 A3B5C26D56 -441.08 5.46 -8.5 0.7 0
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80798 49845849 1 SN4O5H20C25 AB4C5D20E25 -26.38 4.38 -9.09 -1.24 1
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80799 49845856 1 TlO4C17H17 AB4C17D17 -17.83 7.71 -5.93 -3.23 0
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80800 49845857 1 O4C17H17 A4B17C17 -102.51 1.15 0.0 0.0 1
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80801 49845858 1 TlO4C18H19 AB4C18D19 -19.62 9.03 -5.82 -3.4 0
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80802 49845920 2 ON2H6C11 AB2C6D11 67.39 0.58 -8.48 -1.89 0
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80803 49845978 2 NO2C6H6 AB2C6D6 -108.47 4.06 -9.44 -1.04 0
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80804 49845979 2 NO2C6H6 AB2C6D6 -121.84 4.96 -9.56 -0.91 0
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80805 49845980 2 NO2C6H6 AB2C6D6 -110.81 6.41 -9.3 -1.09 0
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80806 49845981 1 SN2O3C13H14 AB2C3D13E14 -84.6 6.56 -9.04 -0.75 0
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80807 49845982 1 N2O3C14H16 A2B3C14D16 -93.3 8.1 -9.46 -0.55 0
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80808 49846017 1 NO5H17C20 AB5C17D20 -97.93 7.07 -8.24 -1.22 0
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80809 49846046 1 SO3C18H26 AB3C18D26 -116.55 10.17 -9.7 0.0 0
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80810 49846134 1 SN5O5C28H43 AB5C5D28E43 -146.96 4.39 -8.79 -1.04 0
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80811 49846149 1 ClN3O5C16H18 AB3C5D16E18 -152.77 4.98 -9.67 -1.41 0
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80812 49846175 1 FO6C40H61 AB6C40D61 -363.27 7.04 -9.61 -0.47 0
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80813 49846184 1 NaF3O3N5H19C20 AB3C3D5E19F20 -211.39 3.07 -9.79 -0.9 0
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80814 49846187 1 SF2O3N5H19C24 AB2C3D5E19F24 -54.93 5.83 -9.94 -1.64 0
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80815 49846188 1 NaSF2O3N5H22C26 ABC2D3E5F22G26 -131.18 16.93 -8.91 -1.74 0
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80816 49846211 1 SF2O4N5C36H43 AB2C4D5E36F43 -208.06 6.65 -8.88 -0.46 0
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80817 49846212 1 PO4N5C26H42 AB4C5D26E42 -148.97 3.44 -8.76 -1.06 0
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80818 49846231 1 SN2O6H22C23 AB2C6D22E23 -142.66 2.31 -9.15 -1.44 0
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80819 49846232 1 SCl2N2O6H18C19 AB2C2D6E18F19 -179.92 4.89 -9.59 -1.64 0
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80820 49846233 1 ClSN2O7C20H21 ABC2D7E20F21 -210.18 4.36 -9.33 -1.38 0
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80821 49846253 1 OS2N4C19H20 AB2C4D19E20 39.23 9.98 -8.43 -0.96 0
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80822 49846263 1 FN7O10C46H58 AB7C10D46E58 -431.75 6.11 -8.08 -0.1 0
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80824 49846355 1 S2O4N7C32H41 A2B4C7D32E41 -67.07 7.26 -9.08 -0.78 0
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80825 49846356 1 ClFSO4N5C36H43 ABCD4E5F36G43 -165.84 5.71 -8.83 -0.49 0
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80826 49846380 1 ClSN7O7C49H56 ABC7D7E49F56 -128.64 13.5 -8.7 -0.94 0
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80827 49846381 1 FSCl2O6N7C47H50 ABC2D6E7F47G50 -142.42 6.31 -8.93 -0.89 0
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80828 49846382 1 ClSF2O6N8C49H55 ABC2D6E8F49G55 -179.99 11.49 -8.53 -0.92 0
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80831 49846397 1 OS2N3C20H29 AB2C3D20E29 -22.25 9.87 -8.47 -0.77 0
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80832 49846400 1 S2O3N4C20H20 A2B3C4D20E20 -47.46 6.39 -8.93 -1.02 0
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80833 49846403 1 O7N9C41H49 A7B9C41D49 -237.33 5.4 -8.41 -0.79 0
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80834 49846404 1 SO6N8C40H40 AB6C8D40E40 -49.14 2.12 -8.51 -0.7 0
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80835 49846406 3 O2N3C18H23 A2B3C18D23 -200.62 7.5 -7.96 -0.27 0
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80839 49846417 1 SN2O3C14H14 AB2C3D14E14 -33.57 7.92 -9.16 -1.28 0
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80840 49846419 1 N3O3H13C14 A3B3C13D14 -22.35 6.43 -9.24 -1.36 0
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80841 49846420 1 SN2O3H14C17 AB2C3D14E17 -16.55 7.62 -9.09 -1.25 0
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80842 49846421 1 N2O4H14C17 A2B4C14D17 -47.92 7.06 -9.18 -1.27 0
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80843 49846536 1 ON2F3H11C16 AB2C3D11E16 -124.84 3.39 -8.76 -0.77 0
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80844 49846540 1 SO6N10C47H56 AB6C10D47E56 -164.83 3.87 -8.25 -0.3 0
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80845 49846542 1 O6N9C52H67 A6B9C52D67 -203.85 3.22 -8.63 -0.26 0
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80846 49846576 1 ClSN2O5C24H27 ABC2D5E24F27 -157.42 6.43 -9.56 -1.03 0
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80847 49846588 1 F3N3O3C20H20 A3B3C3D20E20 -216.9 2.07 -8.83 -0.57 0
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80850 49846676 1 O6N9C40H49 A6B9C40D49 -183.55 6.78 -8.19 -0.6 0
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80856 49846683 1 S2N5O5F6H19C21 A2B5C5D6E19F21 -409.5 5.96 -9.63 -1.68 0
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80857 49846684 1 S2O4F6N7H19C20 A2B4C6D7E19F20 -344.58 5.52 -9.47 -1.57 0
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80858 49846685 1 S2O4F6N6H20C21 A2B4C6D6E20F21 -371.98 5.5 -9.56 -1.73 0
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80859 49846686 2 SO2F3N3C11H11 AB2C3D3E11F11 -382.67 7.3 -9.32 -1.56 0
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80860 49846687 1 S2O3N5F7H18C20 A2B3C5D7E18F20 -375.7 3.59 -9.49 -1.71 0
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80861 49846688 1 FN2O3H13C15 AB2C3D13E15 -80.73 8.59 -9.18 -1.3 0
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80862 49846689 1 FN2O3H13C15 AB2C3D13E15 -80.63 6.65 -9.15 -1.25 0
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80863 49846690 1 N2O3F6H12C17 A2B3C6D12E17 -352.86 6.98 -9.28 -1.64 0
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80864 49846691 1 F2N2O3H12C15 A2B2C3D12E15 -124.67 6.01 -9.27 -1.39 0
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80865 49846692 1 N3O5H13C15 A3B5C13D15 -37.28 8.04 -9.36 -1.69 0
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80866 49846693 1 N2F3O3H11C15 A2B3C3D11E15 -168.07 7.2 -9.3 -1.46 0
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80867 49846694 1 N2O3C19H22 A2B3C19D22 -57.57 8.56 -9.06 -1.15 0
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80868 49846695 1 N2O3C9H10 A2B3C9D10 -58.34 7.88 -9.12 -1.23 0
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80869 49846697 1 SO3N6C33H42 AB3C6D33E42 -60.08 7.04 -8.61 -0.53 0
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80870 49846698 1 ClSO2N6C29H31 ABC2D6E29F31 14.52 6.46 -8.57 -1.26 0
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80871 49846701 1 F2S2N5O6C35H41 A2B2C5D6E35F41 -287.02 3.84 -9.02 -0.98 0
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80872 49846702 1 FS2N6O6C36H41 AB2C6D6E36F41 -204.12 7.08 -9.02 -1.33 0
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80873 49846703 2 SN3O3C18H21 AB3C3D18E21 -152.88 10.07 -8.82 -1.21 0
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80874 49846704 1 SN4O5C25H36 AB4C5D25E36 -136.47 4.39 -8.84 -1.34 0
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80875 49846705 1 OSN4C23H34 ABC4D23E34 20.43 4.5 -8.88 -0.8 0
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80876 49846706 1 N5O6C28H47 A5B6C28D47 -262.32 5.63 -8.44 -0.67 0
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80877 49846707 1 O2N5C26H45 A2B5C26D45 -97.84 2.61 -8.51 -0.39 0
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80878 49846717 1 ClOSF2N5H18C20 ABCD2E5F18G20 -28.89 4.06 -8.64 -1.0 0
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80879 49846721 1 ClS2F3N6O7C43H46 AB2C3D6E7F43G46 -341.17 12.19 -8.62 -0.88 0
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80880 49846722 1 SCl2F2N5O6C46H49 AB2C2D5E6F46G49 -286.66 9.55 -8.87 -0.95 0
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80881 49846723 1 SCl2N6O6C50H58 AB2C6D6E50F58 -156.79 9.21 -8.46 -0.84 0
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80882 49846725 1 O2F3N4H19C20 A2B3C4D19E20 -149.43 3.52 -8.56 -1.03 0
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80883 49846727 1 O2N3F6H15C18 A2B3C6D15E18 -308.42 2.86 -9.76 -0.79 0
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80884 49846728 1 O2F3N4H19C20 A2B3C4D19E20 -154.84 4.07 -9.06 -0.57 0
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80885 49846729 1 N2O3F4C20H20 A2B3C4D20E20 -259.24 4.03 -8.99 -0.64 0
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80886 49846730 1 F3N3O3H20C21 A3B3C3D20E21 -182.12 2.31 -9.48 -0.67 0