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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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47857 10535657 1 NOC12H15 ABC12D15 -17.22 3.98 -9.42 0.06 0
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47858 10535659 1 NC13H19 AB13C19 5.12 1.58 -8.6 0.49 0
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47859 10535665 1 FN2O4C6H7 AB2C4D6E7 -204.24 3.3 -10.24 -1.07 0
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47860 10535666 1 O6C7H10 A6B7C10 -235.07 4.21 -10.41 -0.17 0
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47861 10535668 1 O3H10C11 A3B10C11 -21.42 2.8 -10.07 -0.83 0
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47862 10535673 1 O4C9H18 A4B9C18 -204.36 4.84 -10.14 1.69 0
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47863 10535681 2 OC6H7 AB6C7 -38.42 1.15 -8.69 0.55 0
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47864 10535690 1 O3C10H22 A3B10C22 -108.93 2.99 -10.06 0.35 0
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47865 10535694 1 OC13H18 AB13C18 -44.29 3.55 -9.08 -0.08 0
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47866 10535695 1 OC13H18 AB13C18 -47.71 0.52 -8.31 0.57 0
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47867 10535696 1 OC13H18 AB13C18 -46.15 1.71 -9.37 0.32 0
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47868 10535698 1 SC12H14 AB12C14 58.76 1.86 -8.68 -0.16 0
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47869 10535699 1 SC12H14 AB12C14 57.89 1.6 -8.26 0.09 0
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47871 10535702 1 ClN2O2C7H11 AB2C2D7E11 11.28 5.86 -8.74 -1.14 0
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47872 10535703 1 ClOC10H19 ABC10D19 -93.87 4.78 -10.05 0.69 0
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47873 10535709 1 NO3H9C10 AB3C9D10 -89.84 0.23 -8.86 -0.75 0
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47874 10535710 1 NO3H9C10 AB3C9D10 -74.39 1.45 -9.59 -0.69 0
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47875 10535713 1 NO2C11H11 AB2C11D11 -5.29 2.57 -8.29 0.06 0
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47877 10535715 1 NO2C11H13 AB2C11D13 4.4 1.58 -8.93 -0.08 0
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47878 10535717 1 NO2C11H13 AB2C11D13 -2.6 1.52 -9.43 -0.19 0
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47879 10535718 1 NO2C11H13 AB2C11D13 -57.09 2.39 -9.18 -0.19 0
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47880 10535723 1 NO2C11H13 AB2C11D13 -37.43 3.73 -8.64 0.02 0
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47881 10535727 1 ON3C10H13 AB3C10D13 13.78 6.51 -9.02 -0.15 0
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47882 10535728 2 OC6H7 AB6C7 -77.87 5.2 -9.62 0.12 0
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47883 10535730 1 NOC12H17 ABC12D17 -37.5 1.97 -8.84 0.3 0
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47884 10535731 1 BO3C10H13 AB3C10D13 -169.93 3.0 -8.58 0.46 0
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47885 10535734 1 SF3O3C4H7 AB3C3D4E7 -296.35 4.68 -11.45 -0.52 0
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47886 10535741 1 O5C8H16 A5B8C16 -233.54 2.51 -10.41 0.39 0
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47887 10535742 1 O3C11H12 A3B11C12 -92.13 1.55 -10.19 -0.82 0
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47888 10535743 1 O3C11H12 A3B11C12 -58.53 2.13 -8.74 0.33 0
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47889 10535746 1 SN2O3C6H12 AB2C3D6E12 -124.98 1.78 -9.28 -0.21 0
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47890 10535752 2 OC6H8 AB6C8 -67.0 4.26 -8.64 -0.14 0
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47891 10535755 2 OC6H8 AB6C8 -81.78 3.02 -8.8 0.29 0
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47892 10535756 2 OC6H8 AB6C8 -16.82 3.43 -9.13 0.74 0
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47893 10535759 2 OC6H8 AB6C8 -40.36 3.98 -8.28 0.03 0
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47894 10535762 3 H4C5 A4B5 89.02 1.13 -8.65 -0.27 0
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47895 10535764 1 ON2C11H16 AB2C11D16 -23.22 0.64 -8.26 -0.2 0
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47896 10535765 1 ON2C11H16 AB2C11D16 6.25 2.55 -8.12 0.36 0
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47897 10535766 1 SO3C8H16 AB3C8D16 -159.16 2.77 -9.0 0.3 0
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47898 10535772 1 OS2C8H16 AB2C8D16 -52.19 4.54 -8.14 0.85 0
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47899 10535778 1 NO2C11H15 AB2C11D15 -55.92 2.53 -8.54 0.12 0
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47900 10535780 1 NO2C11H15 AB2C11D15 -68.74 1.73 -9.32 0.35 0
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47901 10535781 1 NO2C11H15 AB2C11D15 -35.62 4.44 -8.57 0.02 0
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47902 10535783 1 NO2C11H15 AB2C11D15 -49.43 3.01 -8.93 0.29 0
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47903 10535786 1 NOSC10H11 ABCD10E11 -30.11 3.32 -8.91 -0.49 0
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47904 10535788 1 NOC12H19 ABC12D19 -41.98 1.75 -9.2 0.11 0
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47905 10535789 1 NOC12H19 ABC12D19 -32.58 2.7 -8.7 0.31 0
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47906 10535796 1 OSF3H5C7 ABC3D5E7 -172.46 2.76 -9.6 -1.27 0
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47907 10535797 2 O2C5H5 A2B5C5 -133.33 1.15 -9.41 -0.75 0
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47908 10535798 1 N2O3C9H10 A2B3C9D10 -58.13 2.86 -9.62 -1.25 0
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47909 10535808 1 O3C11H14 A3B11C14 -127.44 1.85 -8.47 -0.06 0
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47910 10535810 1 O3C11H14 A3B11C14 -34.01 2.82 -9.74 -0.03 0
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47911 10535811 1 O3C11H14 A3B11C14 -30.15 0.81 -9.56 -0.26 0
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47912 10535812 2 NOC5H7 ABC5D7 9.37 3.94 -9.22 -0.18 0
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47913 10535813 2 NOC5H7 ABC5D7 -36.31 1.91 -9.08 0.08 0
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47914 10535814 1 OSN2C9H10 ABC2D9E10 16.26 5.23 -8.79 -0.86 0
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47915 10535818 2 OC6H9 AB6C9 -110.21 1.81 -9.74 0.26 0
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47916 10535820 2 OC6H9 AB6C9 -47.31 1.17 -10.02 0.82 0
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47917 10535822 2 OC6H9 AB6C9 -93.01 3.65 -9.79 0.73 0
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47918 10535824 2 OC6H9 AB6C9 -101.59 4.95 -9.99 0.88 0
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47919 10535829 1 ON2C11H18 AB2C11D18 -14.34 2.62 -9.46 -0.55 1
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47920 10535843 1 N3O3C8H10 A3B3C8D10 -59.84 7.66 0.0 0.0 0
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47921 10535850 1 NO2C11H17 AB2C11D17 -75.84 3.68 -9.18 0.4 0
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47922 10535851 1 NO2C11H17 AB2C11D17 -54.64 2.75 -9.17 0.85 0
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47923 10535857 1 NOC12H21 ABC12D21 -58.59 3.96 -9.23 0.64 0
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47924 10535858 1 NOC12H21 ABC12D21 -86.68 1.95 -9.25 2.75 0
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47925 10535859 1 N3C11H21 A3B11C21 17.94 4.02 -9.75 0.23 0
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47926 10535862 1 O2F3C8H11 A2B3C8D11 -249.03 3.43 -10.72 0.2 0
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47927 10535863 2 O2C5H6 A2B5C6 -136.38 1.55 -10.48 -1.27 0
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47928 10535866 1 O2H8C13 A2B8C13 -17.11 5.66 -9.42 -1.4 0
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47929 10535867 1 N2O3C9H12 A2B3C9D12 -110.8 5.6 -9.4 -0.13 0
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47930 10535868 1 N2O3C9H12 A2B3C9D12 -105.23 5.35 -9.77 -0.82 0
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47931 10535870 1 OF3C9H15 AB3C9D15 -205.34 2.28 -10.66 -0.14 0
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47932 10535876 1 O3C11H16 A3B11C16 -108.64 4.64 -9.86 0.36 0
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47933 10535877 1 O3C11H16 A3B11C16 -146.78 7.37 -10.16 -0.65 0
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47934 10535889 2 NOC5H8 ABC5D8 -35.6 1.06 -8.94 0.21 0
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47935 10535895 1 SO2C10H12 AB2C10D12 -49.85 1.72 -9.14 -0.43 0
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47936 10535896 1 OSN2C9H12 ABC2D9E12 26.36 2.62 -9.1 -0.52 0
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47937 10535897 2 OC6H10 AB6C10 -106.57 1.59 -9.55 0.69 0
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47938 10535898 2 OC6H10 AB6C10 -108.4 2.28 -9.68 0.67 0
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47939 10535899 2 OC6H10 AB6C10 -121.11 2.07 -10.35 0.94 0
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47941 10535916 1 O3C4N4H8 A3B4C4D8 -65.24 1.64 -9.64 -0.89 0
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47942 10535938 1 ClNOC10H12 ABCD10E12 -39.67 2.84 -8.51 -0.63 0
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47943 10535950 2 O2C5H7 A2B5C7 -10.2 4.94 -8.86 -0.02 0
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47944 10535961 1 O3C11H18 A3B11C18 -140.62 6.64 -10.51 -0.24 0
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47945 10535962 1 O3C11H18 A3B11C18 -148.31 3.57 -10.46 0.0 0
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47946 10535968 1 N2C13H14 A2B13C14 38.45 1.33 -8.24 0.28 0
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47947 10535973 1 OSN2C9H14 ABC2D9E14 -22.88 3.0 -9.09 -0.06 0
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47948 10535980 1 ClN2H3O3C7 AB2C3D3E7 3.68 5.56 -10.57 -1.99 0
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47949 10535999 1 NSO2C9H13 ABC2D9E13 -69.5 2.52 -9.78 -0.91 0
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47950 10536024 2 O2C5H8 A2B5C8 -184.99 2.19 -9.86 0.12 0
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47951 10536031 1 SN2O2C8H12 AB2C2D8E12 -78.76 2.1 -9.13 -0.99 0
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47952 10536032 1 SN2H8C11 AB2C8D11 86.47 6.12 -9.35 -1.35 0
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47953 10536036 1 O3C11H20 A3B11C20 -135.24 1.83 -9.69 0.89 0
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47954 10536037 1 O3C11H20 A3B11C20 -166.68 2.49 -10.2 0.52 0
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47955 10536038 1 O3C11H20 A3B11C20 -168.88 2.6 -9.65 0.66 0
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47956 10536044 1 OC14H16 AB14C16 -21.15 3.82 -9.16 0.27 0
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47957 10536045 1 OC14H16 AB14C16 -17.73 1.48 -8.32 -0.33 0
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47958 10536046 2 NOC5H10 ABC5D10 -99.28 6.09 -9.48 0.28 0
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47959 10536047 2 SN2C3H4 AB2C3D4 98.97 4.78 -9.33 -1.62 0