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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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159795 57288758 2 FC13H15 AB13C15 -46.31 2.49 -8.92 -0.4 0
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159796 57288759 1 NOC8H15 ABC8D15 -63.6 2.88 -9.15 2.54 0
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159797 57288760 1 FOC13H17 ABC13D17 -93.87 3.33 -9.48 -0.04 0
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159798 57288761 1 ON3C17H21 AB3C17D21 -17.52 5.03 -8.27 -0.25 0
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159799 57288762 2 NOC12H15 ABC12D15 -47.03 6.34 -8.38 -0.3 0
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159800 57288763 1 O3C48H74 A3B48C74 -190.16 2.5 -8.4 0.35 0
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159801 57288764 1 SN2O3C16H30 AB2C3D16E30 -158.01 6.26 -8.7 0.5 0
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159802 57288765 1 O3N4C27H32 A3B4C27D32 -54.61 5.85 -8.86 -0.91 0
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159803 57288766 1 PSO3C18H37 ABC3D18E37 -263.29 2.82 -9.49 -0.28 0
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159804 57288768 1 ClON2C25H31 ABC2D25E31 -26.01 2.2 -7.84 -0.7 0
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159805 57288769 1 F2O3C25H30 A2B3C25D30 -217.32 4.77 -9.22 -0.45 0
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159806 57288770 1 O3N6H26C28 A3B6C26D28 62.76 6.43 -9.14 -1.54 0
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159807 57288771 1 O4C21H38 A4B21C38 -240.53 3.81 -9.84 0.56 0
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159808 57288772 1 Cl2O3H8C9 A2B3C8D9 -112.99 0.99 -9.36 -0.71 0
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159809 57288773 1 N2O4C13H16 A2B4C13D16 -156.4 1.33 -9.74 -0.29 0
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159810 57288774 2 NO2C12H15 AB2C12D15 -124.57 4.62 -8.33 -0.55 0
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159811 57288775 1 ClO3N7H20C23 AB3C7D20E23 80.48 4.92 -9.34 -1.79 0
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159812 57288776 1 SN2O3C20H20 AB2C3D20E20 -46.63 8.2 -8.22 -1.81 0
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159813 57288777 1 NO2C18H27 AB2C18D27 -55.81 2.05 -8.78 0.33 0
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159814 57288778 1 PN4O9C28H59 AB4C9D28E59 -529.84 10.06 -9.24 0.13 0
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159815 57288779 1 O2C15H18 A2B15C18 -57.8 5.5 -9.42 -0.62 0
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159816 57288780 1 BrFC25H36 ABC25D36 -83.69 3.84 -9.33 -0.25 0
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159817 57288781 1 FN4C12H15 AB4C12D15 20.26 0.97 -8.22 -0.31 0
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159818 57288783 1 PN2O3C29H33 AB2C3D29E33 -93.09 5.27 -8.26 -0.08 0
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159819 57288784 1 N3O7C30H33 A3B7C30D33 -238.2 7.95 -9.09 -0.65 0
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159820 57288785 1 OS2C13H22 AB2C13D22 -31.6 0.13 -8.73 -0.07 0
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159821 57288786 1 N5C24H31 A5B24C31 53.61 2.57 -8.26 0.16 0
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159822 57288789 1 NSO3C19H23 ABC3D19E23 -83.74 4.42 -8.61 -0.74 0
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159823 57288790 1 NCl2F3O4H12C17 AB2C3D4E12F17 -233.93 2.68 -9.53 -1.28 0
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159824 57288791 1 NOSC9H11 ABCD9E11 -13.41 2.04 -8.63 -0.25 0
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159825 57288792 1 ON5C18H19 AB5C18D19 78.81 2.38 -7.79 -1.18 0
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159826 57288793 1 O11H30C32 A11B30C32 -325.86 5.19 -9.04 -1.02 0
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159827 57288794 1 N3O3C25H33 A3B3C25D33 -102.8 4.69 -9.17 -0.48 0
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159828 57288795 1 O3C14H20 A3B14C20 -137.22 2.92 -9.43 0.32 0
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159829 57288796 1 SO5C23H26 AB5C23D26 -119.04 1.29 -8.58 -0.65 0
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159830 57288797 1 O3C13H18 A3B13C18 -138.08 0.74 -9.56 0.17 0
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159831 57288798 1 SN2O4C24H32 AB2C4D24E32 -146.85 11.85 -8.5 -0.32 0
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159832 57288799 1 N3C31H35 A3B31C35 72.3 4.35 -8.49 -0.03 0
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159833 57288800 1 NO6C24H39 AB6C24D39 -299.21 4.77 -9.83 -0.21 0
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159834 57288801 1 NOP2C15H35 ABC2D15E35 -120.12 1.35 -8.39 1.54 0
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159835 57288802 1 N5O10C24H49 A5B10C24D49 -485.27 3.8 -8.88 0.39 0
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159836 57288803 1 FPC2O2H6 ABC2D2E6 -202.58 2.8 -10.43 0.99 0
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159837 57288804 1 ON2C11H24 AB2C11D24 -79.67 3.07 -9.39 0.77 0
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159838 57288805 1 ClFO2N5C35H35 ABC2D5E35F35 -37.36 11.47 -8.46 -0.56 0
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159839 57288806 1 C13H18 A13B18 16.18 0.59 -9.24 0.49 0
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159840 57288807 1 ON2C29H50 AB2C29D50 -121.38 1.38 -8.35 2.64 0
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159841 57288808 1 ON2C5H12 AB2C5D12 -61.89 1.44 -9.68 2.6 0
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159842 57288809 1 O7C42H82 A7B42C82 -470.76 3.8 -10.09 0.21 0
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159843 57288810 1 NH15C19 AB15C19 78.32 2.03 -8.96 -0.69 0
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159844 57288811 1 BrClO2C5H10 ABC2D5E10 -111.9 3.8 -10.65 -0.23 0
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159845 57288812 1 O2N3C16H21 A2B3C16D21 -40.26 3.36 -9.31 -0.31 0
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159846 57288813 1 C17H22 A17B22 1.05 0.77 -8.73 -0.32 0
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159847 57288814 1 IN2Si2O6C16H25 AB2C2D6E16F25 -143.58 6.54 -5.8 -2.33 0
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159848 57288815 1 O3C8H14 A3B8C14 -143.49 1.05 -10.39 -0.19 0
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159849 57288816 1 SO2N7C23H31 AB2C7D23E31 -10.41 2.26 -8.64 -0.72 0
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159850 57288817 1 OC19H24 AB19C24 -32.82 3.41 -8.79 -0.84 0
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159851 57288818 1 NSC16H17 ABC16D17 45.54 1.39 -8.69 -0.05 0
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159852 57288819 1 F2O3N4C27H32 A2B3C4D27E32 -182.34 5.37 -9.68 -1.49 0
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159853 57288820 1 NO4C11H21 AB4C11D21 -176.22 3.7 -9.75 0.01 0
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159854 57288821 1 ON2C19H26 AB2C19D26 -11.98 2.98 -8.41 -0.08 0
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159855 57288822 1 N2O5C35H42 A2B5C35D42 -153.32 7.76 -8.49 -0.42 0
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159856 57288823 1 N2O4C5H12 A2B4C5D12 -116.04 5.7 -10.41 -0.94 0
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159857 57288824 1 NO8C53H55 AB8C53D55 -198.62 8.13 -8.06 -0.08 0
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159858 57288825 1 N2O2C9H20 A2B2C9D20 -116.01 5.67 -8.98 0.84 0
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159859 57288826 1 SN3O3C18H23 AB3C3D18E23 -15.55 6.83 -9.03 -1.59 0
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159860 57288827 1 SiCl2H5C8 AB2C5D8 94.78 2.27 0.0 0.0 0
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159861 57288828 1 O3C32H40 A3B32C40 -95.33 8.44 -8.56 -0.27 0
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159862 57288829 1 SN2O2F3H13C14 AB2C2D3E13F14 -193.71 6.04 -9.37 -1.18 1
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159863 57288830 1 ClN2H26C27 AB2C26D27 93.0 1.0 0.0 0.0 0
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159864 57288831 1 NSO4C16H21 ABC4D16E21 -165.57 5.35 -9.04 -0.18 0
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159865 57288832 1 ON4C19H28 AB4C19D28 -18.73 5.84 -8.68 0.36 0
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159866 57288833 1 N3O4C16H25 A3B4C16D25 -176.33 4.16 -8.66 0.34 0
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159867 57288835 1 ClIN2O2C17H20 ABC2D2E17F20 -32.09 2.81 -8.54 -1.24 0
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159868 57288837 1 BrSO3N4C17H21 ABC3D4E17F21 -61.01 7.2 -9.1 -0.59 0
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159869 57288838 1 PSN3O6C10H22 ABC3D6E10F22 -346.3 8.85 -8.44 0.44 0
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159870 57288839 1 O3N4C22H30 A3B4C22D30 -105.48 6.5 -8.7 -0.32 0
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159871 57288840 1 SN2O2C7H10 AB2C2D7E10 -55.22 2.89 -9.02 -1.01 0
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159872 57288841 1 ClN2C16H21 AB2C16D21 2.34 3.64 -8.79 0.03 0
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159873 57288842 2 NSO2C6H14 ABC2D6E14 -213.28 0.87 -10.72 0.48 0
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159874 57288843 2 OC11H17 AB11C17 -82.5 3.46 -9.4 0.38 0
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159875 57288844 1 O2N9H23C26 A2B9C23D26 119.56 5.04 -9.1 -0.69 0
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159876 57288845 1 SN4O4C14H14 AB4C4D14E14 -44.73 4.05 -9.01 -1.11 0
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159877 57288846 2 N2C6H7 A2B6C7 70.02 5.33 -9.27 -0.7 0
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159878 57288847 1 SN2H12C13 AB2C12D13 72.8 1.71 -8.41 -0.63 0
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159879 57288848 1 CH2O6 AB2C6 36.01 2.57 -10.33 -1.56 0
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159880 57288849 1 ClN2O3H13C18 AB2C3D13E18 -4.47 2.15 -9.36 -1.54 0
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159881 57288850 1 ClN3O3C22H22 AB3C3D22E22 -58.93 5.72 -8.61 -0.93 0
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159882 57288851 1 N3O6C21H25 A3B6C21D25 -125.13 5.83 -9.95 -1.34 0
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159883 57288852 1 NSiO2C18H24 ABC2D18E24 -39.12 6.9 0.0 0.0 0
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159884 57288853 1 NO2C10H15 AB2C10D15 -62.07 3.03 -8.88 -0.08 -1
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159885 57288854 1 SN2H5O5C6 AB2C5D5E6 -75.23 4.72 0.0 0.0 0
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159886 57288855 1 SN2O5C6H6 AB2C5D6E6 -106.58 4.72 -9.69 -1.32 0
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159887 57288856 1 O4N7C26H27 A4B7C26D27 -43.6 4.03 -8.55 -0.58 0
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159888 57288857 1 SN3O3Cl4H13C18 AB3C3D4E13F18 -58.47 5.7 -9.25 -1.04 0
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159889 57288859 1 ClN3O5C17H18 AB3C5D17E18 -101.69 2.92 -9.62 -1.9 0
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159890 57288860 2 O2C13H27 A2B13C27 -276.24 3.78 -9.58 1.62 0
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159891 57288861 1 SN2O2C12H16 AB2C2D12E16 -67.3 3.2 -8.26 -0.05 0
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159892 57288862 1 NC22H29 AB22C29 21.09 2.15 -8.75 0.46 0
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159893 57288863 1 N3C18H23 A3B18C23 51.35 1.84 -8.42 0.43 0
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159894 57288864 1 F2O3C34H42 A2B3C34D42 -150.25 4.39 -9.52 -0.89 0