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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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30923 853803 1 N2O2C13H14 A2B2C13D14 -24.42 4.06 -8.49 -0.19 0
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30924 853806 1 BrNOH14C18 ABCD14E18 18.04 4.74 -8.96 -0.83 0
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30925 853809 1 BrNOH14C15 ABCD14E15 -4.8 5.34 -9.08 -0.54 0
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30926 853812 1 NO3C12H21 AB3C12D21 -176.78 3.98 -10.01 0.65 0
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30927 853814 1 ClNO3C15H18 ABC3D15E18 -142.96 6.3 -9.54 -0.42 0
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30928 853815 1 ClNO3C15H18 ABC3D15E18 -142.45 5.38 -9.16 -0.14 0
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30929 853817 1 ClNO3C15H18 ABC3D15E18 -145.04 5.77 -8.88 -0.13 0
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30930 853821 1 NO3C15H19 AB3C15D19 -136.11 3.17 -8.94 0.01 0
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30931 853822 1 NO3C15H19 AB3C15D19 -136.63 3.93 -8.71 0.17 0
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30932 853823 1 N2O3C13H16 A2B3C13D16 -114.16 5.45 -9.05 -0.23 0
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30933 853824 1 N2O3C13H16 A2B3C13D16 -115.93 7.24 -9.55 -0.68 0
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30934 853825 1 N2O3C13H16 A2B3C13D16 -113.9 2.87 -9.31 -0.46 0
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30935 853835 1 NO3C16H21 AB3C16D21 -139.83 3.48 -8.53 0.18 0
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30936 853836 1 NO2C20H25 AB2C20D25 -65.68 5.58 -9.02 -0.38 0
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30937 853841 1 NOCl3H8C13 ABC3D8E13 -16.3 1.27 -9.32 -1.07 0
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30938 853848 1 NO3C16H19 AB3C16D19 -119.54 4.84 -8.72 0.04 0
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30939 853849 1 NO3C16H19 AB3C16D19 -121.25 6.42 -8.86 -0.16 0
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30940 853850 1 FNO3C14H16 ABC3D14E16 -172.1 5.92 -9.37 -0.55 0
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30941 853853 1 FNO3C14H16 ABC3D14E16 -171.74 5.41 -9.4 -0.59 0
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30942 853856 1 ClNO2C16H16 ABC2D16E16 -57.1 2.43 -8.6 -0.38 0
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30943 853857 1 ClNO3C11H12 ABC3D11E12 -130.8 7.04 -9.45 -0.69 0
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30944 853859 1 ON2H16C17 AB2C16D17 21.04 4.74 -9.37 -0.46 0
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30945 853862 1 BrFNOH13C15 ABCDE13F15 -52.57 3.93 -9.15 -0.82 0
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30946 853865 1 NSCl2O3H13C14 ABC2D3E13F14 -85.14 5.43 -8.82 -1.22 0
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30947 853871 1 ClNO2C17H18 ABC2D17E18 -60.14 2.57 -8.91 -0.37 0
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30948 853875 1 NOC17H19 ABC17D19 -21.04 6.14 -8.37 0.0 0
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30949 853885 1 SN3C5H7 AB3C5D7 26.78 8.43 -8.4 -0.58 0
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30950 853891 1 SN2C15H16 AB2C15D16 49.05 6.36 -8.5 -0.46 0
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30951 853892 1 ON2C17H20 AB2C17D20 -20.18 4.58 -8.34 -0.4 0
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30952 853893 1 ON2C17H20 AB2C17D20 -16.57 3.59 -8.46 -0.49 0
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30953 853901 1 NOSH11C14 ABCD11E14 10.06 3.98 -8.96 -0.55 0
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30954 853911 1 SN2C9H12 AB2C9D12 14.06 5.91 -8.54 -0.35 0
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30955 853917 1 FO3H15C18 AB3C15D18 -110.52 6.5 -9.28 -0.68 1
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30956 853919 1 N2C19H19 A2B19C19 80.27 2.3 0.0 0.0 0
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30957 853920 1 OSN3C19H19 ABC3D19E19 46.7 2.8 -8.57 -0.72 0
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30958 853926 1 SO2N5H15C16 AB2C5D15E16 48.73 1.99 -8.35 -1.32 0
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30959 853932 1 O3C22H24 A3B22C24 -89.67 3.43 -8.87 0.06 0
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30960 853981 1 NO4C16H19 AB4C16D19 -152.58 3.45 -8.15 0.02 0
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30961 853993 1 BrNOSH14C15 ABCDE14F15 2.29 3.49 -9.01 -0.51 0
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30962 854001 1 NOSC17H19 ABCD17E19 -15.49 3.33 -8.7 -0.33 0
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30963 854003 2 ON2H7C8 AB2C7D8 9.98 1.57 -9.53 -0.56 0
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30964 854006 1 ON2C19H22 AB2C19D22 13.15 4.42 -9.3 -0.71 0
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30965 854010 1 OSN2C13H16 ABC2D13E16 2.28 5.29 -8.59 -0.68 0
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30966 854011 1 ClON3C9H12 ABC3D9E12 -15.75 2.2 -9.01 -0.31 0
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30967 854012 2 O2C9H10 A2B9C10 -112.73 3.79 -8.19 -0.41 0
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30968 854013 1 NS2O4C12H13 AB2C4D12E13 -122.59 2.05 -9.56 -1.92 0
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30969 854014 1 BrN3H12C17 AB3C12D17 115.54 6.99 -8.59 -1.38 0
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30970 854015 1 O2N5H11C13 A2B5C11D13 20.21 7.87 -9.09 -1.58 0
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30971 854018 1 ON5C17H19 AB5C17D19 39.54 3.1 -8.59 -0.19 0
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30972 854019 1 ON2C10H12 AB2C10D12 -15.9 2.09 -9.55 -0.49 0
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30973 854020 1 NSO2C10H17 ABC2D10E17 -92.64 5.92 -9.89 0.52 0
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30974 854021 1 N2O3C6H12 A2B3C6D12 -150.81 6.31 -10.15 0.18 0
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30975 854022 1 N2O2C7H10 A2B2C7D10 -85.79 1.44 -9.8 0.32 0
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30976 854025 3 OC2H4 AB2C4 -154.78 4.16 -10.58 0.51 0
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30977 854026 1 ON2C15H18 AB2C15D18 40.54 5.85 -8.87 -0.29 0
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30978 854027 1 ON2C6H14 AB2C6D14 -68.74 3.48 -9.83 1.21 0
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30979 854028 1 ON2C6H14 AB2C6D14 -68.09 3.48 -9.85 1.17 0
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30980 854029 1 ON2C6H14 AB2C6D14 -67.58 3.52 -9.63 0.88 0
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30981 854031 1 NO2C11H15 AB2C11D15 -56.27 1.77 -8.62 0.04 0
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30982 854033 1 SN2O2C11H12 AB2C2D11E12 -49.68 2.7 -9.03 -0.76 0
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30983 854034 1 NO2C6H11 AB2C6D11 -94.37 6.12 -9.63 0.86 0
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30984 854039 1 O2N3C7H7 A2B3C7D7 -48.96 2.2 -10.62 -1.19 0
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30985 854042 1 ClNO2H8C10 ABC2D8E10 -14.72 3.99 -9.12 -0.86 0
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30986 854047 1 NCl2O2H3C6 AB2C2D3E6 -58.5 4.83 -10.54 -1.69 0
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30987 854048 1 NO4C9H13 AB4C9D13 -148.64 1.48 -9.96 -0.22 0
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30988 854049 1 NO4C9H13 AB4C9D13 -141.68 2.39 -9.85 -0.24 0
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30989 854050 1 NO2C12H23 AB2C12D23 -119.9 2.94 -8.78 2.13 0
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30990 854051 1 N2C7H10 A2B7C10 27.65 1.47 -9.62 -0.14 1
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30991 854052 1 FN2C5H12 AB2C5D12 -30.45 1.89 0.0 0.0 0
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30992 854053 1 O3C11H16 A3B11C16 -114.19 2.18 -8.39 0.1 0
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30993 854054 2 O2C5H5 A2B5C5 -154.81 1.47 -10.45 -0.96 0
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30994 854056 1 OS4C5H6 AB4C5D6 -8.13 4.51 -8.92 -1.12 0
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30995 854057 1 NO2H13C14 AB2C13D14 -42.18 6.02 -8.93 -0.38 0
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30996 854060 1 OSN2C12H12 ABC2D12E12 3.98 3.34 -8.96 -0.85 0
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30997 854062 1 OSN2C12H14 ABC2D12E14 -10.57 3.53 -8.97 -0.7 0
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30998 854065 1 OSN2C11H12 ABC2D11E12 -4.52 3.41 -9.0 -0.73 0
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30999 854071 1 N2O2C9H18 A2B2C9D18 -119.3 1.62 -9.52 0.96 0
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31000 854072 1 N2O3C6H10 A2B3C6D10 -137.83 7.2 -10.01 0.18 0
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31001 854075 1 N2O3C16H20 A2B3C16D20 -101.91 3.93 -8.01 0.06 0
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31002 854078 1 NO3C19H21 AB3C19D21 -71.97 2.29 -8.73 -0.91 0
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31003 854079 1 NO3C19H27 AB3C19D27 -126.98 2.37 -8.74 -0.01 0
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31004 854080 1 NO3C19H27 AB3C19D27 -130.16 2.76 -8.88 0.1 0
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31005 854081 1 ON3C13H15 AB3C13D15 18.13 4.66 -8.95 -0.15 0
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31006 854082 1 ON3H13C18 AB3C13D18 80.37 5.0 -9.22 -0.8 0
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31007 854083 1 ON3C19H21 AB3C19D21 23.5 0.81 -8.65 -0.64 0
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31008 854085 1 NPSO2C8H18 ABCD2E8F18 -186.81 4.37 -9.0 0.54 0
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31009 854086 1 SO2N3C11H15 AB2C3D11E15 -52.3 1.3 -8.94 -0.77 0
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31010 854089 1 ClN2C11H13 AB2C11D13 14.74 2.56 -8.57 -0.3 0
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31011 854093 1 N2O2C13H16 A2B2C13D16 -48.67 1.47 -8.71 -0.75 0
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31012 854094 1 ClO3H17C20 AB3C17D20 -69.48 4.33 -8.99 -1.01 0
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31013 854096 2 O2H9C11 A2B9C11 -89.68 5.46 -8.81 -0.89 0
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31014 854097 1 N2C15H22 A2B15C22 -6.39 2.5 -7.88 0.37 0
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31015 854098 1 N2C15H22 A2B15C22 -6.5 2.48 -7.89 0.34 1
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31016 854101 1 NO2C18H26 AB2C18D26 -55.58 2.2 0.0 0.0 1
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31017 854103 1 NO2C18H26 AB2C18D26 -55.18 2.58 0.0 0.0 0
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31018 854104 1 ClO3C17H17 AB3C17D17 -102.89 3.13 -8.87 -0.94 0
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31019 854105 1 O3H20C21 A3B20C21 -67.72 8.38 -8.95 -0.83 0
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31020 854108 1 O4H16C21 A4B16C21 -84.72 5.19 -8.84 -0.9 0
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31021 854115 1 O3H18C19 A3B18C19 -78.28 7.02 -8.76 -0.85 0
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31022 854117 2 NC8H12 AB8C12 6.91 2.34 -8.71 0.35 0