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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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82862 49856703 5 NC4H5 AB4C5 86.17 4.36 -8.16 0.07 0
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82863 49856708 1 N5O5C33H35 A5B5C33D35 -108.02 4.56 -8.85 -0.82 0
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82864 49856709 1 N5O5C32H33 A5B5C32D33 -107.61 8.54 -8.72 -0.82 0
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82865 49856715 1 O9H28C39 A9B28C39 -203.97 4.94 -8.88 -0.95 0
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82866 49856716 1 O7H24C35 A7B24C35 -120.09 4.9 -8.49 -0.89 0
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82867 49856718 1 BFN2O4C21H26 ABC2D4E21F26 -271.88 1.39 -9.68 -0.48 0
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82868 49856719 1 FN2O3H15C16 AB2C3D15E16 -122.64 6.15 -9.93 -0.71 0
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82869 49856720 1 FN2O3H15C16 AB2C3D15E16 -121.38 4.4 -9.88 -0.93 0
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82870 49856723 1 ClN2O3H15C16 AB2C3D15E16 -82.87 1.99 -9.85 -0.96 0
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82871 49856727 1 BF2N2O4C34H37 AB2C2D4E34F37 -276.21 2.08 -9.55 -0.43 0
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82872 49856728 1 BFN2O4C35H40 ABC2D4E35F40 -241.0 1.97 -9.23 -0.4 0
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82873 49856729 1 BF2N2O4C34H37 AB2C2D4E34F37 -279.37 2.01 -9.62 -0.44 0
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82874 49856731 1 O3C26H44 A3B26C44 -200.86 2.63 -8.72 0.54 0
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82875 49856732 1 O3C26H44 A3B26C44 -198.84 1.21 -8.72 0.48 0
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82876 49856733 1 IOPC22H24 ABCD22E24 -11.18 6.19 -7.72 -0.26 0
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82877 49856734 1 SSiO4C17H30 ABC4D17E30 -236.85 4.35 -9.09 -0.65 0
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82878 49856737 1 O2N4H22C23 A2B4C22D23 32.92 7.89 -9.32 -0.98 0
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82879 49856739 1 FO2N5H18C20 AB2C5D18E20 -13.17 7.16 -9.48 -1.17 0
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82880 49856741 1 O7C34H34 A7B34C34 -239.11 4.15 -9.41 -0.58 0
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82881 49856742 1 O7H30C34 A7B30C34 -188.0 6.58 -9.32 -1.02 0
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82882 49856743 1 O9H34C36 A9B34C36 -271.72 5.13 -9.0 -0.86 0
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82883 49856745 1 O7C30H38 A7B30C38 -319.19 5.36 -9.36 -0.51 0
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82884 49856747 2 N2O2H11C12 A2B2C11D12 -71.38 7.5 -8.52 -1.38 0
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82885 49856749 2 ClNOH6C9 ABCD6E9 4.76 3.84 -8.83 -1.57 0
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82886 49856750 2 NO2H9C10 AB2C9D10 -74.68 1.83 -8.46 -0.9 0
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82887 49856751 1 N2O7C21H22 A2B7C21D22 -241.58 4.89 -9.07 -0.87 0
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82888 49856752 1 BrO4C12H13 AB4C12D13 -142.03 2.34 -8.8 -0.83 0
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82889 49856753 1 BrFO2H10C11 ABC2D10E11 -115.0 2.64 -9.76 -0.97 0
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82890 49856754 1 BrNO2C12H14 ABC2D12E14 -72.51 5.95 -8.8 -0.47 0
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82891 49856755 1 BrNO4C15H16 ABC4D15E16 -155.33 6.07 -9.7 -0.93 0
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82892 49856756 1 BrNO3C16H20 ABC3D16E20 -117.77 3.28 -8.98 -0.82 0
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82893 49856757 1 BrO3C11H13 AB3C11D13 -128.84 2.94 -9.18 -0.55 0
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82894 49856758 1 CaO16H28C36 AB16C28D36 -650.24 4.21 -8.79 -1.44 1
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82895 49856759 1 KO16H30C36 AB16C30D36 -542.45 9.71 0.0 0.0 0
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82896 49856760 1 SN5O9C41H51 AB5C9D41E51 -314.88 8.41 -8.81 -0.91 0
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82897 49856761 1 SN5O9C40H45 AB5C9D40E45 -243.98 6.07 -9.25 -0.93 0
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82898 49856763 1 SN4O9C42H50 AB4C9D42E50 -277.76 4.86 -8.77 -0.49 0
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82899 49856764 1 O9N18C50H70 A9B18C50D70 -215.26 9.32 -8.48 -0.22 0
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82901 49856769 1 NO4C19H23 AB4C19D23 -150.5 4.2 -9.46 -0.65 0
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82902 49856770 1 NO4C19H23 AB4C19D23 -150.82 3.29 -9.56 -0.67 0
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82903 49856771 1 NO5C19H23 AB5C19D23 -181.43 5.07 -9.07 -0.65 0
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82904 49856772 1 NO6C24H31 AB6C24D31 -232.0 6.66 -8.64 -0.58 0
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82905 49856773 1 N2O3C25H30 A2B3C25D30 -101.99 2.36 -9.02 0.23 0
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82906 49856775 1 NOC13H13 ABC13D13 9.73 4.1 -9.42 0.0 0
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82907 49856778 1 O5N6C17H26 A5B6C17D26 -145.61 4.59 -8.7 -0.52 0
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82908 49856779 1 SN5O5C17H19 AB5C5D17E19 -137.08 1.11 -8.98 -0.97 0
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82910 49856783 1 N2O7C72H140 A2B7C72D140 -577.58 12.63 -9.65 0.44 0
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82911 49856784 4 ON2H10C11 AB2C10D11 12.97 3.61 -8.62 -0.59 0
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82912 49856785 1 O4N8H42C45 A4B8C42D45 8.14 6.93 -8.96 -0.66 0
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82913 49856786 2 O2N4C21H21 A2B4C21D21 -0.16 4.48 -8.54 -0.52 0
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82914 49856787 1 NSO13C44H55 ABC13D44E55 -477.17 3.29 -8.59 -0.69 0
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82915 49856791 1 N2O3C14H20 A2B3C14D20 -111.94 2.17 -9.34 0.16 0
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82916 49856793 2 NOC7H11 ABC7D11 -93.48 1.8 -9.29 0.33 0
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82917 49856794 2 NOC7H11 ABC7D11 -85.66 4.12 -9.34 0.24 0
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82920 49856806 1 NO14C28H31 AB14C28D31 -530.44 10.37 -9.2 -0.77 0
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82921 49856808 1 NO12C26H31 AB12C26D31 -443.0 7.95 -9.2 -1.12 0
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82922 49856811 1 N5C7H13 A5B7C13 27.74 1.53 -8.99 0.09 0
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82923 49856815 1 N5C8H15 A5B8C15 29.08 3.72 -8.77 0.3 0
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82924 49856817 1 N5C10H19 A5B10C19 42.25 1.62 -8.76 -0.25 0
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82925 49856819 1 N5C9H17 A5B9C17 23.84 3.92 -8.82 0.23 0
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82926 49856820 1 N5C9H17 A5B9C17 21.25 2.58 -8.76 0.27 0
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82927 49856821 1 N5C16H21 A5B16C21 55.48 2.5 -8.88 0.2 0
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82928 49856823 1 SO3N6C20H26 AB3C6D20E26 -49.4 5.99 -8.42 -1.5 0
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82929 49856824 1 OSN7C20H25 ABC7D20E25 36.52 8.21 -8.31 -1.11 0
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82930 49856829 1 SN3O3C26H27 AB3C3D26E27 -19.13 5.57 -9.0 -0.48 0
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82931 49856836 1 N2O2C13H20 A2B2C13D20 -81.43 4.52 -9.04 0.3 0
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82932 49856837 1 ClSN2O2C17H29 ABC2D2E17F29 -40.59 37.54 -5.7 -2.39 0
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82933 49856840 1 N2O2C25H32 A2B2C25D32 -48.77 3.92 -8.66 -0.26 0
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82934 49856841 2 NOC12H15 ABC12D15 -37.18 3.39 -8.91 -0.29 0
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82935 49856842 2 NOC10H15 ABC10D15 -72.68 6.17 -8.77 0.16 0
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82936 49856845 1 ClO2N6H15C18 AB2C6D15E18 58.09 6.22 -8.24 -1.52 0
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82937 49856846 1 ClO2N6H13C17 AB2C6D13E17 62.31 4.48 -8.02 -1.64 0
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82938 49856847 1 ClO2N6H15C18 AB2C6D15E18 58.0 9.16 -8.25 -1.4 0
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82939 49856848 1 OCl2N5H13C19 AB2C5D13E19 65.53 7.64 -9.31 -1.68 0
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82940 49856849 1 OF3N6H13C18 AB3C6D13E18 -51.46 7.43 -8.74 -1.46 0
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82941 49856852 1 FO2N6H15C18 AB2C6D15E18 13.03 8.38 -8.31 -1.48 0
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82942 49856855 1 ClSO3N7C24H24 ABC3D7E24F24 8.97 7.77 -8.37 -1.42 0
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82943 49856856 1 FN3O4H14C20 AB3C4D14E20 -82.03 4.62 -9.72 -1.62 0
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82944 49856857 1 FON5C22H30 ABC5D22E30 -59.74 2.7 -8.72 -0.14 0
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82945 49856860 1 OF2N5H25C27 AB2C5D25E27 -28.85 2.95 -8.83 -0.36 0
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82946 49856862 1 BrFON5C22H23 ABCD5E22F23 -11.3 5.45 -8.63 -0.32 0
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82947 49856863 1 OPSN3C26H26 ABCD3E26F26 -21.19 4.17 -8.51 -0.85 0
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82948 49856864 1 N2O9C39H48 A2B9C39D48 -329.29 7.43 -8.83 -1.87 0
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82949 49856865 1 NO5C17H19 AB5C17D19 -173.88 5.22 -9.09 -0.99 0
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82950 49856866 1 SN2O4C16H30 AB2C4D16E30 -223.77 4.89 -8.96 0.38 0
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82951 49856868 1 O7C24H42 A7B24C42 -371.66 0.97 -9.92 0.91 0
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82952 49856869 1 O9C38H62 A9B38C62 -457.36 3.24 -8.7 0.26 0
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82953 49856871 1 SiO9C41H74 AB9C41D74 -536.43 5.01 -9.22 -0.43 0
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82954 49856873 1 SiO4C22H36 AB4C22D36 -234.07 0.61 -8.76 -0.7 0
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82955 49856876 2 NOC6H7 ABC6D7 -52.96 1.52 -8.6 -0.09 0
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82956 49856879 1 OSSiC10H20 ABCD10E20 -88.19 1.94 -8.62 0.31 0
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82957 49856884 1 NSO3C11H15 ABC3D11E15 -95.37 6.95 -9.75 -0.47 0
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82958 49856885 1 O2N5C22H27 A2B5C22D27 -8.61 4.49 -8.29 -0.04 -1
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82960 49856889 1 BP5N10O17C22H32 AB5C10D17E22F32 -791.43 3.94 -7.12 -1.38 0
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82961 49856891 1 N4O5C34H36 A4B5C34D36 -119.9 8.79 -8.72 -1.02 0
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82962 49856892 1 N3O4C9H17 A3B4C9D17 -119.52 3.19 -9.85 0.04 0
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82963 49856893 1 NO4C9H19 AB4C9D19 -194.74 1.64 -9.75 1.58 0
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82964 49856894 1 N5O6C30H43 A5B6C30D43 -209.51 2.04 -8.62 -0.68 0
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82966 49856901 1 BClN2O4C21H26 ABC2D4E21F26 -228.19 2.9 -9.5 -0.15 0
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82967 49856904 1 BN2O5C22H29 AB2C5D22E29 -265.11 3.94 -9.16 -0.2 0