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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40853 8144845 1 OSN4C23H28 ABC4D23E28 47.29 5.4 -8.14 -0.32 0
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40854 8144848 1 N3O3C23H25 A3B3C23D25 -65.51 3.09 -9.2 -1.09 0
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40855 8144852 1 N3O3C17H21 A3B3C17D21 -93.63 2.93 -9.31 -1.15 1
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40856 8144854 1 SN5C23H30 AB5C23D30 103.67 4.46 0.0 0.0 0
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40857 8144855 1 SN5C23H29 AB5C23D29 82.07 2.23 -8.47 -1.0 1
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40858 8144856 1 SN4C23H29 AB4C23D29 94.64 4.25 0.0 0.0 0
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40859 8144858 1 N3O6C16H23 A3B6C16D23 -226.31 10.3 -9.41 -0.87 1
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40860 8144859 1 OS2N4C20H25 AB2C4D20E25 72.03 12.81 0.0 0.0 0
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40861 8144860 1 OS2N4C20H24 AB2C4D20E24 50.2 4.55 -8.75 -0.58 0
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40862 8144861 1 N3O6C16H23 A3B6C16D23 -229.88 8.11 -9.14 -0.48 1
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40863 8144862 1 SO2N4C16H17 AB2C4D16E17 -6.51 4.84 0.0 0.0 0
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40864 8144863 1 SO2N4C16H16 AB2C4D16E16 -19.33 1.23 -9.1 -1.23 1
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40865 8144864 1 S2N4C18H25 A2B4C18D25 68.86 5.25 0.0 0.0 0
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40866 8144866 1 N3O6C16H23 A3B6C16D23 -235.38 8.34 -9.41 -0.86 0
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40867 8144868 1 N2O4C23H24 A2B4C23D24 -88.99 7.22 -8.72 -1.22 1
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40868 8144869 1 ClSO2N4C17H22 ABC2D4E17F22 -13.56 6.98 0.0 0.0 0
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40869 8144870 1 ClSO2N4C17H21 ABC2D4E17F21 -32.01 2.13 -8.54 -0.76 1
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40870 8144878 1 ClSO2N4C18H24 ABC2D4E18F24 -23.3 6.46 0.0 0.0 0
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40871 8144879 1 ClSO2N4C18H23 ABC2D4E18F23 -41.22 4.47 -8.4 -0.6 1
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40872 8144880 1 SO2N4C19H27 AB2C4D19E27 -22.68 5.88 0.0 0.0 1
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40873 8144882 1 SO3N4C14H15 AB3C4D14E15 -34.11 5.9 0.0 0.0 0
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40874 8144885 1 FSN3O4C19H24 ABC3D4E19F24 -155.03 3.89 -9.0 -0.58 1
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40875 8144886 1 FSN3O4C19H25 ABC3D4E19F25 -135.5 8.56 0.0 0.0 0
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40876 8144890 1 ClSO2N4H15C16 ABC2D4E15F16 -21.74 10.35 -8.82 -1.23 1
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40877 8144893 1 FSN3O4C19H25 ABC3D4E19F25 -131.26 6.29 0.0 0.0 0
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40878 8144896 1 N3O4C15H25 A3B4C15D25 -199.21 2.19 -9.14 0.17 0
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40879 8144897 1 O2N3C18H19 A2B3C18D19 16.04 3.74 -8.53 -1.28 1
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40880 8144898 1 N3O4C15H26 A3B4C15D26 -176.14 3.1 0.0 0.0 0
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40881 8144899 1 N3O4C15H25 A3B4C15D25 -199.61 1.03 -9.12 0.19 1
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40882 8144900 1 N3O4C22H30 A3B4C22D30 -151.64 4.82 0.0 0.0 0
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40883 8144901 1 N3O4C22H29 A3B4C22D29 -174.69 1.0 -8.96 0.13 1
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40884 8144902 1 N3O4C22H30 A3B4C22D30 -151.68 5.34 0.0 0.0 0
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40885 8144903 1 N3O4C22H29 A3B4C22D29 -172.99 2.59 -8.92 0.05 1
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40886 8144905 1 NO5C16H22 AB5C16D22 -173.81 5.94 0.0 0.0 1
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40887 8144907 1 BrNO3C19H23 ABC3D19E23 -95.61 12.66 0.0 0.0 0
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40888 8144908 1 BrNO3C19H22 ABC3D19E22 -108.56 4.86 -8.66 -0.78 1
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40889 8144909 1 SO2N4C17H23 AB2C4D17E23 -4.14 5.68 0.0 0.0 0
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40890 8144910 1 SO2N4C17H22 AB2C4D17E22 -21.88 3.8 -8.37 -0.48 0
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40891 8144911 1 ON5H11C12 AB5C11D12 89.65 3.58 -9.13 -1.17 1
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40892 8144914 1 O2S2N4C19H27 A2B2C4D19E27 -27.39 13.38 0.0 0.0 0
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40893 8144915 1 O2S2N4C19H26 A2B2C4D19E26 -33.52 4.22 -8.26 -0.64 1
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40894 8144916 1 ClN2O4C17H20 AB2C4D17E20 -127.53 12.56 0.0 0.0 0
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40895 8144917 1 ClN2O4C17H19 AB2C4D17E19 -141.99 5.48 -9.15 -1.54 0
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40896 8144918 1 ClON3H22C23 ABC3D22E23 33.07 3.57 -9.65 -1.21 0
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40897 8144922 1 O2S2N4C19H26 A2B2C4D19E26 -34.49 3.89 -8.19 -0.9 1
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40898 8144924 1 O2S2N4C20H29 A2B2C4D20E29 -52.9 5.44 0.0 0.0 0
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40899 8144925 2 OSN2C10H14 ABC2D10E14 -35.2 4.61 -8.2 -0.9 1
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40900 8144927 1 SN3O4C21H30 AB3C4D21E30 -146.91 2.63 0.0 0.0 1
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40901 8144929 1 FN2O4C17H20 AB2C4D17E20 -165.5 14.87 0.0 0.0 1
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40902 8144932 1 SN3O5C19H26 AB3C5D19E26 -122.4 6.82 0.0 0.0 0
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40903 8144933 1 SN3O5C19H25 AB3C5D19E25 -139.95 8.27 -8.49 -0.82 1
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40904 8144934 1 S2O3N4C18H25 A2B3C4D18E25 -61.12 14.62 0.0 0.0 0
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40905 8144935 1 S2O3N4C18H24 A2B3C4D18E24 -54.51 7.64 -8.21 -0.76 0
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40906 8144938 1 BrN3H20C23 AB3C20D23 104.55 4.22 -8.34 -0.58 1
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40907 8144939 1 S2O3N4C18H25 A2B3C4D18E25 -29.95 14.06 0.0 0.0 0
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40908 8144940 1 S2O3N4C18H24 A2B3C4D18E24 -56.41 3.65 -8.21 -0.63 0
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40909 8144942 1 SO2N4C15H20 AB2C4D15E20 -25.36 1.67 -8.23 -0.95 0
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40910 8144943 1 BrN3H20C23 AB3C20D23 102.05 6.2 -8.41 -0.56 1
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40911 8144944 1 SO3N4C21H25 AB3C4D21E25 -5.99 6.09 0.0 0.0 1
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40912 8144946 1 SO2N5C22H26 AB2C5D22E26 33.71 5.35 0.0 0.0 0
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40913 8144947 1 SO2N5C22H25 AB2C5D22E25 14.05 2.98 -8.42 -0.96 1
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40914 8144948 1 SO2N4C18H25 AB2C4D18E25 -10.72 6.1 0.0 0.0 0
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40915 8144950 1 FN2S2O3H15C19 AB2C2D3E15F19 -74.07 3.85 -8.53 -1.96 0
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40916 8144952 1 O2S2N4C19H26 A2B2C4D19E26 -34.22 6.41 -8.21 -0.8 0
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40917 8144954 1 SO2N5C16H23 AB2C5D16E23 -32.28 2.27 -8.36 -0.96 1
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40918 8144955 1 ClSN3O3C17H21 ABC3D3E17F21 -55.28 6.6 0.0 0.0 0
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40919 8144956 1 ClSN3O3C17H20 ABC3D3E17F20 -74.27 5.54 -8.78 -1.18 1
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40920 8144957 1 SO2N5C18H26 AB2C5D18E26 -7.6 5.27 0.0 0.0 0
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40921 8144958 1 SO2N5C18H25 AB2C5D18E25 -10.74 3.11 -8.61 -0.48 0
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40922 8144960 1 SO2N5C18H25 AB2C5D18E25 -12.14 2.34 -8.57 -0.45 1
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40923 8144961 1 N3O4C20H28 A3B4C20D28 -153.34 3.03 0.0 0.0 0
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40924 8144963 1 N2O2S2H8C13 A2B2C2D8E13 93.72 5.28 -8.87 -1.58 0
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40925 8144965 1 N3O4C20H27 A3B4C20D27 -171.25 0.78 -8.64 0.01 1
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40926 8144966 1 N3O4C24H24 A3B4C24D24 -38.7 12.2 0.0 0.0 0
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40927 8144967 1 N3O4H23C24 A3B4C23D24 -57.58 11.14 -8.89 -0.82 0
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40928 8144971 1 N3O3C23H27 A3B3C23D27 -58.38 5.84 -8.73 -0.32 0
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40929 8144972 1 N4H22C23 A4B22C23 98.86 10.12 -8.64 -1.16 1
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40930 8144973 1 N3O4C24H24 A3B4C24D24 -39.51 10.84 0.0 0.0 0
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40931 8144974 1 N3O4H23C24 A3B4C23D24 -57.4 9.25 -8.88 -0.92 0
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40932 8144976 1 N3O4C22H37 A3B4C22D37 -226.92 1.89 -8.99 0.3 1
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40933 8144980 1 N3O4C19H26 A3B4C19D26 -139.34 3.75 0.0 0.0 0
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40934 8144981 1 N3O4C19H25 A3B4C19D25 -162.16 2.06 -9.04 -0.04 0
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40935 8144985 1 N3O4C20H27 A3B4C20D27 -166.72 1.61 -9.07 -0.04 0
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40936 8144986 1 O2N3H19C24 A2B3C19D24 51.87 2.23 -8.9 -1.01 1
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40937 8144987 1 N3O4C23H28 A3B4C23D28 -120.61 3.39 0.0 0.0 0
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40938 8144988 1 N3O4C23H27 A3B4C23D27 -143.0 1.73 -8.91 -0.6 0
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40939 8144990 1 N3O4C23H27 A3B4C23D27 -144.06 0.6 -9.05 -0.74 1
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40940 8144991 1 N3O4C18H32 A3B4C18D32 -194.69 4.41 0.0 0.0 0
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40941 8144993 1 ClO3N4C20H21 AB3C4D20E21 -82.49 2.98 -9.0 -0.45 0
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40942 8144995 1 N3O4C18H31 A3B4C18D31 -218.05 1.06 -9.04 0.27 1
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40943 8144996 1 N3O4C23H28 A3B4C23D28 -123.33 4.79 0.0 0.0 0
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40944 8144997 1 N3O4C23H27 A3B4C23D27 -146.12 0.29 -9.04 -0.68 1
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40945 8144998 1 N3O4C23H28 A3B4C23D28 -123.85 3.11 0.0 0.0 1
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40946 8145000 1 N3O4C21H36 A3B4C21D36 -199.92 4.44 0.0 0.0 1
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40947 8145003 1 ClN3O4C20H27 AB3C4D20E27 -153.44 2.83 0.0 0.0 0
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40948 8145004 1 ClN3O4C20H26 AB3C4D20E26 -176.68 2.3 -9.18 -0.36 0
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40949 8145005 1 SN2O3C19H30 AB2C3D19E30 -139.96 3.47 -9.52 -0.9 1
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40950 8145006 1 ClN3O4C20H27 AB3C4D20E27 -153.39 3.2 0.0 0.0 1
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40951 8145008 1 N3O5C20H28 A3B5C20D28 -180.87 4.26 0.0 0.0 0
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40952 8145009 1 N3O5C20H27 A3B5C20D27 -202.82 1.43 -9.06 -0.24 1