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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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314852 126623723 1 N2O5C32H40 A2B5C32D40 -194.62 6.34 -8.17 -0.21 0
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314853 126623727 1 BrN3O4C14H20 AB3C4D14E20 -167.98 3.9 -9.4 -0.56 0
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314854 126623742 1 ClF4N4C10H15 AB4C4D10E15 -220.65 4.76 -9.69 -0.27 0
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314855 126623752 1 FOSN2C21H21 ABCD2E21F21 -35.15 1.41 -8.66 -0.54 0
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314856 126623764 1 ClF2N2O2C14H17 AB2C2D2E14F17 -186.2 4.57 -9.92 -0.82 0
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314857 126623771 1 FO2S4N9H28C30 AB2C4D9E28F30 70.52 5.04 -8.56 -1.83 0
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314858 126623785 1 PN4O4C15H15 AB4C4D15E15 -131.0 4.99 -9.15 -0.99 0
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314860 126623803 1 ClF2N2O2C13H15 AB2C2D2E13F15 -175.17 5.9 -9.72 -0.92 0
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314861 126623807 1 ClOF2N3H10C12 ABC2D3E10F12 -68.36 1.9 -9.88 -1.33 0
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314862 126623815 2 ON2H15C16 AB2C15D16 84.42 10.74 -9.0 -0.85 0
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314863 126623820 1 FSN2O4C15H15 ABC2D4E15F15 -180.33 4.94 -8.96 -1.25 0
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314864 126623826 1 BrON3C12H16 ABC3D12E16 -26.82 3.4 -8.96 -1.13 0
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314865 126623834 1 ClF2O3N4H27C31 AB2C3D4E27F31 -133.37 5.89 -8.96 -0.8 0
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314866 126623843 1 BrFN6O7H32C33 ABC6D7E32F33 -215.31 9.27 -8.85 -0.83 0
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314867 126623845 1 FS2O4N6H31C34 AB2C4D6E31F34 -76.97 4.5 -8.49 -0.94 0
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314868 126623849 1 ClF2N2C9H9 AB2C2D9E9 -73.4 2.3 -9.91 -0.8 0
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314869 126623850 1 FO3N6C30H31 AB3C6D30E31 -73.52 8.36 -8.5 -0.84 0
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314870 126623852 1 ClSO2N4H11C13 ABC2D4E11F13 24.15 5.15 -9.12 -1.02 0
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314871 126623853 1 BrSN3O5C14H16 ABC3D5E14F16 -167.31 5.93 -9.54 -1.34 0
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314872 126623854 1 FO3N7C30H30 AB3C7D30E30 -55.72 10.91 -8.83 -0.79 0
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314873 126623855 1 FO3N7H22C23 AB3C7D22E23 -49.18 4.52 -9.18 -1.08 0
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314874 126623857 1 N3O7C23H23 A3B7C23D23 -191.7 4.5 -9.05 -1.0 0
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314875 126623858 1 O4N5H21C22 A4B5C21D22 -50.36 2.36 -9.34 -1.2 0
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314876 126623859 1 BrN3O4C14H16 AB3C4D14E16 -134.7 4.84 -9.45 -0.72 0
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314877 126623860 1 O2N3C12H15 A2B3C12D15 0.27 4.42 -9.68 -0.05 0
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314878 126623875 1 FO3N5C32H34 AB3C5D32E34 -90.17 4.07 -8.41 -0.73 0
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314879 126623879 1 ClFO2C21H24 ABC2D21E24 -111.92 4.91 -9.26 -1.07 0
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314880 126623885 1 FN2O3C15H19 AB2C3D15E19 -94.86 2.65 -9.3 -1.1 0
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314881 126623888 1 BrO3N7C28H28 AB3C7D28E28 -15.33 5.04 -9.15 -1.06 0
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314882 126623889 1 BrFSO2N8H22C25 ABCD2E8F22G25 5.03 8.98 -8.7 -1.1 0
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314883 126623890 1 FN4O4C11H17 AB4C4D11E17 -182.13 6.55 -10.2 -0.46 0
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314884 126623891 1 FN4O4C11H17 AB4C4D11E17 -94.43 23.14 -7.83 -3.98 1
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314885 126623892 1 FN4O4C11H18 AB4C4D11E18 -177.88 8.94 0.0 0.0 -1
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314886 126623893 1 FN4O4C11H16 AB4C4D11E16 -165.26 4.86 0.0 0.0 0
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314887 126623894 1 ClO3F4N5H26C33 AB3C4D5E26F33 -222.03 6.38 -8.9 -0.84 0
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314888 126623900 1 ClFSO4C23H28 ABCD4E23F28 -224.3 5.51 -8.6 -0.58 0
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314889 126623909 1 BrFO3N8H24C26 ABC3D8E24F26 -45.76 7.73 -8.13 -0.86 0
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314890 126623910 1 NOSC15H21 ABCD15E21 -47.54 5.15 -9.31 -0.51 0
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314891 126623911 1 NOSC15H21 ABCD15E21 -44.59 3.77 -8.96 -0.42 0
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314892 126623915 1 FSN6O6H27C31 ABC6D6E27F31 -163.59 7.88 -9.04 -1.28 0
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314893 126623921 1 SN2O6C28H34 AB2C6D28E34 -194.06 2.96 -8.68 -0.99 0
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314894 126623934 1 BrFO3N8H24C26 ABC3D8E24F26 1.11 2.66 -8.77 -1.47 0
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314895 126623937 1 BrSN2O4C19H29 ABC2D4E19F29 -175.9 2.59 -9.16 -0.93 0
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314896 126623940 1 O3N5H15C18 A3B5C15D18 -13.09 3.99 -9.04 -1.1 0
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314897 126623941 1 FO3N7C29H30 AB3C7D29E30 -79.72 6.72 -8.45 -0.57 0
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314898 126623942 1 FO2N6H21C22 AB2C6D21E22 -14.12 5.09 -9.2 -1.08 0
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314899 126623944 1 BrSN3O6C15H18 ABC3D6E15F18 -218.1 4.77 -9.44 -0.76 0
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314900 126623945 1 BrO2N3C9H12 AB2C3D9E12 -72.58 1.66 -9.41 -0.61 0
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314901 126623946 1 N2O3H16C19 A2B3C16D19 -40.93 2.37 -8.96 -0.8 0
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314902 126623947 1 BrNO3C12H18 ABC3D12E18 -105.38 15.39 -8.07 -1.9 1
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314903 126623948 1 NO3C12H18 AB3C12D18 -115.13 3.09 0.0 0.0 0
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314904 126623949 1 BrFSO4N6H24C26 ABCD4E6F24G26 -91.63 2.86 -9.16 -1.35 0
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314905 126623951 1 BrSN3O3C11H14 ABC3D3E11F14 -94.2 3.93 -9.96 -1.52 0
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314906 126623952 1 BrPN7O7C32H35 ABC7D7E32F35 -231.15 5.33 -9.16 -1.06 0
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314907 126623954 1 BrN2O2C20H23 AB2C2D20E23 -55.2 5.58 -9.46 -0.71 0
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314908 126623955 1 ClF2O2N4H11C13 AB2C2D4E11F13 -118.13 3.61 -9.85 -0.88 0
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314909 126623956 1 O3N4H12C17 A3B4C12D17 -7.53 7.01 -9.48 -1.28 0
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314910 126623957 1 BrFO4N6H18C20 ABC4D6E18F20 -104.66 4.78 -9.41 -0.79 0
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314911 126623958 1 FO3N8C31H31 AB3C8D31E31 -39.7 9.01 -8.85 -0.78 0
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314912 126623959 1 ClF2N3O3H10C13 AB2C3D3E10F13 -153.82 8.08 -10.26 -1.75 0
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314913 126623960 1 O2F4N4C11H14 A2B4C4D11E14 -271.8 8.52 -10.16 -0.56 0
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314914 126623961 1 BrClON3C9H13 ABCD3E9F13 -66.93 3.74 -9.75 -0.93 0
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314915 126623962 1 BrON3C9H12 ABC3D9E12 -28.69 0.41 -9.52 -0.68 0
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314916 126623963 1 BrFSO3N6H24C26 ABCD3E6F24G26 -36.96 8.44 -9.06 -1.23 0
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314917 126623965 1 BrSO3N7C26H26 ABC3D7E26F26 9.73 6.47 -9.06 -1.46 0
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314918 126623966 1 F2O3N5C30H31 A2B3C5D30E31 -74.52 6.81 -8.65 -0.87 0
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314919 126623967 1 FSN2O6C20H23 ABC2D6E20F23 -294.66 7.15 -8.88 -1.16 0
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314920 126623968 1 BrN2O3H11C12 AB2C3D11E12 -69.35 4.13 -9.29 -1.07 0
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314921 126623969 1 BrOCl2N3C12H18 ABC2D3E12F18 -107.41 10.97 -9.97 -1.1 0
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314922 126623970 1 BrON3C12H16 ABC3D12E16 -31.19 3.89 -8.88 -0.77 0
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314923 126623971 1 BrOCl2N3C12H18 ABC2D3E12F18 -102.67 1.19 -9.64 -0.85 0
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314924 126623973 1 NO4C16H19 AB4C16D19 -151.33 4.28 -8.66 -0.77 0
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314925 126623975 1 FSN2O3H21C22 ABC2D3E21F22 -120.07 5.48 -8.47 -0.5 0
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314926 126623976 1 BrNOC18H20 ABCD18E20 23.67 2.19 -9.09 -0.22 0
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314927 126623977 1 FO4N5C21H22 AB4C5D21E22 -139.79 3.84 -9.18 -0.91 0
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314928 126623978 1 FSN2O3H21C22 ABC2D3E21F22 -123.37 4.53 -8.53 -0.48 0
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314929 126623979 1 FO3N6C30H31 AB3C6D30E31 -90.08 7.6 -8.8 -0.62 0
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314930 126623982 1 FO3N6C31H33 AB3C6D31E33 -81.09 8.78 -8.46 -0.83 0
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314931 126623983 1 N3O7H21C22 A3B7C21D22 -199.16 5.81 -9.27 -1.15 0
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314932 126623984 1 FS2O5N7H32C35 AB2C5D7E32F35 -120.13 5.56 -8.48 -0.96 0
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314933 126623985 1 ClF2O2N8H23C28 AB2C2D8E23F28 -15.99 7.08 -9.26 -1.14 0
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314934 126623987 1 BrFO3N4C11H12 ABC3D4E11F12 -152.48 4.92 -9.02 -1.08 0
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314935 126623988 1 FO3N7C30H32 AB3C7D30E32 -72.3 4.08 -8.45 -0.58 0
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314936 126623989 1 SO2N5H13C15 AB2C5D13E15 27.6 5.27 -9.0 -1.52 0
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314937 126623990 1 O3N7H25C26 A3B7C25D26 9.67 8.18 -8.44 -0.6 0
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314938 126623991 1 O3N7H25C26 A3B7C25D26 11.89 13.67 -8.23 -0.72 0
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314939 126623992 1 N3O3C19H19 A3B3C19D19 -56.57 8.9 -9.32 -1.0 0
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314940 126623993 1 BrSN3O5C15H18 ABC3D5E15F18 -172.16 7.58 -9.32 -1.12 0
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314941 126623994 1 ClFN2O2C17H18 ABC2D2E17F18 -100.9 4.25 -8.89 -0.33 0
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314942 126623995 1 BrFO2N8H22C26 ABC2D8E22F26 24.02 6.75 -9.17 -1.08 0
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314943 126623996 1 FO3N4H13C16 AB3C4D13E16 -70.21 5.57 -8.7 -1.33 0
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314944 126623997 1 ClF2N4H11C12 AB2C4D11E12 -34.06 3.78 -9.44 -0.7 0
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314945 126623998 1 FO3N5C30H30 AB3C5D30E30 -80.16 4.62 -8.36 -0.79 0
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314946 126623999 1 FNO3C6H8 ABC3D6E8 -168.72 7.06 -10.19 -0.83 0
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314947 126624000 1 FO3N6C28H29 AB3C6D28E29 -91.77 10.4 -8.9 -0.64 0
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314948 126624001 1 BrFO3N4C11H12 ABC3D4E11F12 -152.2 6.48 -9.49 -1.13 0
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314949 126624003 1 FS2O5N6H39C42 AB2C5D6E39F42 -92.37 8.77 -8.37 -1.02 0
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314950 126624004 1 FS2O5N6H39C42 AB2C5D6E39F42 -92.12 4.17 -8.45 -0.83 0
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314951 126624005 1 ClN2O2F4H15C18 AB2C2D4E15F18 -267.08 3.76 -9.24 -0.58 0
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314952 126624006 1 ClF2N2O4C18H23 AB2C2D4E18F23 -288.57 2.72 -9.9 -0.8 0