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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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2828 8664 1 O2N3C6H9 A2B3C6D9 22.3 3.09 -9.52 -1.12 0
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2830 8673 1 Na2S2H6O7C10 A2B2C6D7E10 -338.34 4.85 -8.47 -0.54 0
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2831 8677 6 H3C4 A3B4 92.79 0.0 -8.89 -0.31 0
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2832 8684 1 ZnN2S4C18H36 AB2C4D18E36 -61.83 1.01 -8.36 -0.12 0
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2833 8686 1 O3Cl5H9C11 A3B5C9D11 -146.27 3.09 -9.2 -0.84 0
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2834 8687 1 NNaS2C9H18 ABC2D9E18 -49.33 2.65 -7.65 0.37 0
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2835 8688 1 NaOH2Cl3C6 ABC2D3E6 -81.47 11.41 -7.84 -0.18 0
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2836 8689 1 N3H11C12 A3B11C12 102.07 0.95 -8.55 -0.64 0
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2837 8690 1 O3H10C13 A3B10C13 -72.95 1.47 -9.23 -0.87 0
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2839 8695 1 ClN2O2C15H25 AB2C2D15E25 -119.92 4.25 -8.74 -0.3 0
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2840 8696 1 CoO4C16H30 AB4C16D30 -152.4 65.95 0.0 0.0 0
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2841 8700 1 NaSCl2O5H7C8 ABC2D5E7F8 -269.66 6.15 -9.35 -0.95 0
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2842 8702 1 N2O3C8H10 A2B3C8D10 -29.78 7.9 -8.84 -1.13 0
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2843 8703 1 NOC9H13 ABC9D13 -31.84 2.6 -8.4 0.4 0
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2844 8706 1 SN2H6C7 AB2C6D7 47.29 1.8 -8.87 -0.5 0
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2845 8707 1 OSCl2N3C15H25 ABC2D3E15F25 -71.51 1.05 -8.36 -0.4 0
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2846 8708 1 OSN3C15H23 ABC3D15E23 -5.54 1.1 -8.17 -0.22 0
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2847 8710 1 OC12H22 AB12C22 -87.75 3.1 -9.77 0.79 0
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2848 8716 1 NNaO3C15H28 ABC3D15E28 -221.82 7.31 -8.65 0.34 0
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2849 8721 1 CuN2S4C6H12 AB2C4D6E12 85.71 4.49 0.0 0.0 0
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2850 8727 1 NNaC2S2H4 ABC2D2E4 -15.89 5.76 -7.89 0.3 0
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2851 8731 1 O7C22H38 A7B22C38 -335.96 3.01 -9.27 -0.67 0
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2852 8732 2 ClN2C7H10 AB2C7D10 25.32 37.7 -7.3 -3.33 0
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2853 8733 2 O2C12H19 A2B12C19 -218.43 2.05 -10.4 -0.94 0
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2854 8740 1 NSH5O5C6 ABC5D5E6 -100.1 1.67 -11.17 -2.2 0
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2855 8742 1 O5C7H10 A5B7C10 -212.44 3.93 -10.77 -0.66 0
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2856 8744 1 ClNO3C9H14 ABC3D9E14 -151.55 1.08 -9.06 -0.4 0
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2857 8745 1 KNO2H6C7 ABC2D6E7 -104.02 6.1 -8.03 0.42 0
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2858 8746 1 HgNaO3H6C7 ABC3D6E7 -119.27 10.25 0.0 0.0 0
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2860 8753 1 ClNC21H38 ABC21D38 5.21 37.96 -5.63 -2.24 0
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2861 8754 1 NC21H38 AB21C38 -5.5 3.98 0.0 0.0 1
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2862 8755 1 ClNC23H42 ABC23D42 -30.73 12.86 -8.41 -0.71 0
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2863 8756 1 NC23H42 AB23C42 -17.64 4.32 0.0 0.0 1
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2865 8758 1 NC6O6H9 AB6C6D9 -257.93 4.31 -10.48 -0.3 0
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2866 8759 2 NNaO4C5H7 ABC4D5E7 -450.0 4.1 -8.95 0.49 0
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2867 8760 1 NNaO4C6H12 ABC4D6E12 -226.56 8.56 -8.89 1.12 0
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2869 8763 2 O3C6H10 A3B6C10 -296.92 2.38 -10.82 0.68 0
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2870 8764 1 NOH11C12 ABC11D12 13.98 2.22 -8.37 0.0 0
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2871 8765 1 SN2C12H12 AB2C12D12 44.8 3.95 -8.02 0.14 0
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2872 8766 1 SH10C12 AB10C12 51.4 1.97 -8.63 -0.21 0
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2873 8767 2 OC9H13 AB9C13 -97.9 2.18 -9.19 0.15 0
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2874 8768 1 O3H6C7 A3B6C7 -89.3 3.34 -9.2 -0.94 0
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2875 8769 1 NO2C6H15 AB2C6D15 -102.89 3.07 -9.02 1.99 0
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2876 8770 1 NaSO4C14H29 ABC4D14E29 -280.54 7.76 -10.01 0.28 0
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2877 8771 1 SO4C14H30 AB4C14D30 -238.16 3.92 -10.84 -0.66 0
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2878 8772 1 N2Na3O7C10H15 A2B3C7D10E15 -459.09 8.58 -8.59 0.3 0
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2879 8773 1 N2O7C10H18 A2B7C10D18 -305.96 1.26 -10.16 -0.22 0
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2882 8776 1 SO3N4C6H8 AB3C4D6E8 -23.14 5.18 -9.86 -1.9 0
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2883 8777 1 NSO7C18H41 ABC7D18E41 -367.76 3.91 -9.25 -0.82 0
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2884 8778 1 SO4C12H26 AB4C12D26 -220.7 3.59 -10.77 -0.78 0
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2885 8780 1 O4C21H38 A4B21C38 -243.46 2.04 -9.54 0.84 0
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2886 8781 4 OC6H11 AB6C11 -261.21 2.47 -9.64 0.9 0
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2887 8783 1 PCl3O3C6H12 AB3C3D6E12 -211.47 1.66 -10.19 0.02 0
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2888 8784 1 O2H8C9 A2B8C9 -46.51 5.65 -9.86 -1.05 0
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2889 8785 1 O2C9H10 A2B9C10 -72.06 1.79 -9.64 0.05 0
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2890 8788 1 O4C11H12 A4B11C12 -159.99 6.58 -10.02 -0.4 0
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2891 8789 1 ON4C13H14 AB4C13D14 50.92 4.0 -8.58 -0.19 0
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2892 8790 2 O2C12H15 A2B12C15 -143.19 4.95 -9.57 -0.12 0
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2893 8791 1 O2C19H30 A2B19C30 -117.05 2.27 -9.52 0.24 0
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2894 8792 1 O2C13H18 A2B13C18 -94.45 1.88 -9.44 0.32 0
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2895 8793 2 NC8H10 AB8C10 45.69 2.04 -8.86 0.2 0
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2896 8794 1 NH7C8 AB7C8 48.8 3.73 -9.85 -0.05 0
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2897 8795 3 NC2H5 AB2C5 6.11 2.05 -8.71 2.54 0
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2898 8796 1 ClON2C7H7 ABC2D7E7 -31.08 4.95 -8.93 -0.26 0
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2899 8799 1 N2O3Cl4C11H12 A2B3C4D11E12 -139.93 7.65 -9.17 -0.7 0
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2900 8800 1 ClON2C9H11 ABC2D9E11 -30.09 5.62 -8.78 -0.16 0
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2901 8801 1 AsNNaO6C8H9 ABCD6E8F9 -248.51 10.43 -9.13 -0.26 0
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2902 8802 1 AsNO6C8H10 ABC6D8E10 -213.83 3.24 -9.39 -0.49 0
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2903 8803 1 NaN3O5C10H10 AB3C5D10E10 -182.91 4.13 -9.76 -1.49 0
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2904 8804 1 N3O5C10H11 A3B5C10D11 -119.59 9.45 -10.07 -1.56 0
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2905 8806 1 NCl2H9C14 AB2C9D14 58.38 2.57 -9.7 -0.66 0
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2906 8807 1 NaSN3O3C8H10 ABC3D3E8F10 -102.42 11.65 -8.43 -0.55 0
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2907 8812 1 SO3C16H26 AB3C16D26 -152.64 6.0 -10.32 -0.7 0
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2908 8816 1 BrNC21H38 ABC21D38 -21.91 18.33 -7.01 -2.6 0
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2909 8820 1 OC3N3H5 AB3C3D5 2.73 2.44 -10.65 0.12 0
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2910 8825 1 KOS2C4H7 ABC2D4E7 -88.06 7.5 -7.67 0.09 0
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2911 8826 1 NaOS2C4H7 ABC2D4E7 -74.44 3.46 -8.09 0.04 0
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2912 8827 1 N2C3O3H8 A2B3C3D8 -143.48 1.41 -10.56 0.6 0
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2913 8828 1 CdC4H4O4 AB4C4D4 -120.98 7.13 -10.29 -2.15 0
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2914 8830 2 O2C6H11 A2B6C11 -220.28 1.22 -10.92 0.74 0
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2915 8831 2 O2C7H13 A2B7C13 -233.21 3.7 -10.8 0.79 0
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2916 8832 1 N2O3C5H12 A2B3C5D12 -135.24 3.74 -10.12 0.9 0
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2917 8833 2 OC6H11 AB6C11 -122.57 2.39 -9.69 0.81 0
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2918 8834 1 O2C13H24 A2B13C24 -130.24 1.82 -9.2 0.87 0
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2919 8842 1 OC10H20 AB10C20 -78.2 2.14 -9.24 1.47 0
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2920 8850 1 SiC3Cl3H7 AB3C3D7 -137.47 1.9 -10.71 -0.61 0
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2921 8860 1 NOS2C3H3 ABC2D3E3 -6.37 3.06 -9.82 -1.2 0
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2922 8861 1 N3C5H7 A3B5C7 25.45 0.2 -8.53 0.42 0
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2923 8862 1 NOC6H13 ABC6D13 -56.99 1.63 -9.05 2.27 0
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2924 8863 1 O3C12H26 A3B12C26 -187.51 2.05 -10.18 2.0 0
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2925 8864 2 C5H7 A5B7 -3.95 0.57 -9.1 0.57 0
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2926 8865 1 H2Na2C3O4 A2B2C3D4 -276.27 2.37 -9.36 0.74 0
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2927 8866 1 KOS2C5H9 ABC2D5E9 -93.04 7.6 -7.68 0.09 0
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2928 8869 1 NOSC6H13 ABCD6E13 -49.24 2.08 -9.23 -0.26 0
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2929 8873 1 ZnN2C4S4H6 AB2C4D4E6 38.42 3.8 -8.96 -0.64 0
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2930 8874 1 NaSO5C20H37 ABC5D20E37 -316.94 3.8 -9.39 0.45 0
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2931 8878 2 OC5H9 AB5C9 -104.45 1.77 -10.42 0.82 0
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2932 8883 2 OC4H7 AB4C7 -71.86 3.82 -10.46 1.02 0
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2933 8887 1 NNaO4C5H8 ABC4D5E8 -225.85 12.01 -9.5 0.05 0
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2934 8888 1 OC15H26 AB15C26 -59.39 1.25 -8.93 1.02 0