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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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379769 134464837 1 NH35C49 AB35C49 179.18 1.59 -7.95 -0.72 0
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379770 134464838 1 NH35C44 AB35C44 136.11 1.01 -7.9 -0.66 0
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379771 134464840 1 NH43C56 AB43C56 181.13 1.11 -7.88 -0.55 0
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379772 134464841 1 NH39C55 AB39C55 199.84 1.29 -7.93 -0.64 0
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379773 134464844 1 NH39C50 AB39C50 160.42 1.42 -8.02 -0.7 0
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379774 134464845 1 NH41C54 AB41C54 175.12 0.92 -7.97 -0.7 0
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379775 134464846 1 NH37C51 AB37C51 186.28 1.14 -7.98 -0.55 0
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379776 134464848 1 NH39C55 AB39C55 201.6 1.66 -8.0 -0.66 0
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379777 134464849 1 NH39C55 AB39C55 201.32 1.33 -7.94 -0.65 0
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379778 134464850 1 NOH37C53 ABC37D53 169.35 2.75 -8.03 -0.73 0
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379779 134464853 1 NH33C45 AB33C45 165.87 0.68 -8.05 -0.65 0
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379780 134464858 1 NSH33C47 ABC33D47 174.6 0.75 -8.04 -0.76 0
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379781 134464861 1 NOH37C53 ABC37D53 170.24 0.78 -8.0 -0.66 0
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379782 134464864 1 NH35C49 AB35C49 179.34 0.65 -7.96 -0.68 0
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379783 134464868 1 NSO2H37C53 ABC2D37E53 125.68 4.81 -7.95 -1.11 0
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379784 134464870 1 NSH37C53 ABC37D53 197.76 2.28 -8.01 -0.69 0
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379785 134464881 1 NH39C50 AB39C50 161.48 1.08 -8.06 -0.71 0
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379786 134464882 1 NSH37C53 ABC37D53 198.61 2.43 -8.09 -0.7 0
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379787 134464886 1 NH37C48 AB37C48 159.61 2.22 -7.9 -0.53 0
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379788 134464887 2 NH17C24 AB17C24 200.4 5.45 -8.1 -0.78 0
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379789 134464893 1 N2H38C53 A2B38C53 206.06 0.95 -7.93 -0.63 0
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379790 134464897 1 NH37C51 AB37C51 185.36 1.17 -7.99 -0.61 0
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379791 134464899 1 NSH37C53 ABC37D53 196.93 2.53 -7.96 -0.64 0
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379792 134464903 1 ClSO3N4C21H23 ABC3D4E21F23 -45.78 7.57 -8.63 -0.88 0
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379793 134464904 1 F2N8H20C21 A2B8C20D21 49.93 2.88 -8.58 -0.83 0
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379794 134464914 1 SO3N4C12H16 AB3C4D12E16 -15.63 4.0 -9.23 -0.84 0
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379795 134464916 1 OSN3C10H17 ABC3D10E17 -16.87 2.47 -8.9 -0.42 0
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379796 134464920 1 S2N3O6C10H13 A2B3C6D10E13 -184.43 6.94 -9.19 -1.31 0
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379797 134464923 1 SO2N3C11H15 AB2C3D11E15 -63.06 1.75 -9.09 -0.68 0
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379798 134464926 2 SN2O3C5H7 AB2C3D5E7 -176.57 5.87 -9.16 -1.39 0
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379799 134464927 1 S2N5O6C11H11 A2B5C6D11E11 -141.81 7.29 -9.4 -1.33 0
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379800 134464934 2 NOC11H13 ABC11D13 -72.97 3.31 -8.27 -0.64 0
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379801 134464936 1 N2O3C21H24 A2B3C21D24 -115.67 2.69 -8.48 -0.76 0
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379802 134464937 1 NO2C19H21 AB2C19D21 -54.54 4.21 -9.21 -0.74 0
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379803 134464939 1 FNO5H18C23 ABC5D18E23 -164.44 4.25 -8.72 -1.41 0
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379804 134464941 2 SN2O3H21C23 AB2C3D21E23 -40.36 2.73 -7.76 -1.66 1
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379805 134464944 1 N4O4C56H59 A4B4C56D59 -21.05 4.94 0.0 0.0 0
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379806 134464947 1 S2F3N4O6H39C46 A2B3C4D6E39F46 -186.03 9.15 -7.68 -1.93 1
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379807 134464953 1 N2S2O8H33C36 A2B2C8D33E36 -175.59 4.1 0.0 0.0 1
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379808 134464954 1 N2S2H29C35 A2B2C29D35 139.93 6.87 0.0 0.0 0
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379809 134464961 1 OF2C23H26 AB2C23D26 -82.51 2.06 -8.54 -0.7 0
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379810 134464963 1 OF3H11C15 AB3C11D15 -146.32 2.79 -8.88 -0.46 0
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379811 134464965 1 O2F3C19H19 A2B3C19D19 -140.73 1.49 -8.54 -0.88 0
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379812 134464967 1 O2F3C24H27 A2B3C24D27 -158.7 4.55 -8.53 -0.94 0
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379813 134464969 1 BrOF2C16H21 ABC2D16E21 -141.58 3.81 -9.44 -0.59 0
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379814 134464971 1 O2F3C26H31 A2B3C26D31 -167.59 4.77 -8.53 -0.94 0
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379815 134464972 1 F3H15C17 A3B15C17 -69.53 3.93 -8.89 -0.96 0
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379816 134464977 1 F3H15C17 A3B15C17 -70.39 3.9 -8.88 -0.97 0
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379817 134464980 1 OF3C19H19 AB3C19D19 -111.35 5.35 -8.71 -0.92 0
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379818 134464982 1 SO3N4C14H18 AB3C4D14E18 -59.54 3.83 -9.14 -0.77 0
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379819 134464983 1 OF3H17C18 AB3C17D18 -104.77 3.49 -8.85 -1.05 0
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379820 134464984 1 OF3H15C17 AB3C15D17 -102.53 5.45 -8.72 -0.92 0
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379821 134464986 1 F3H13C17 A3B13C17 -42.75 4.12 -8.93 -1.01 0
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379822 134464987 1 F5H11C17 A5B11C17 -140.12 4.88 -9.02 -1.09 0
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379823 134464990 1 F3C26H31 A3B26C31 -100.54 3.97 -8.84 -0.91 0
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379824 134464991 1 F3C26H31 A3B26C31 -102.76 4.16 -8.8 -0.89 0
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379825 134464996 1 OF3C25H29 AB3C25D29 -129.21 4.06 -8.84 -1.01 0
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379826 134465003 1 F6C27H28 A6B27C28 -244.54 4.88 -9.02 -1.12 0
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379827 134465005 3 FC8H9 AB8C9 -92.73 4.13 -8.8 -0.89 0
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379828 134465006 1 O2F3C23H23 A2B3C23D23 -145.33 4.54 -8.9 -1.04 0
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379829 134465007 1 F3C26H27 A3B26C27 -41.5 3.99 -8.78 -1.04 0
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379830 134465010 1 ClOF2C25H29 ABC2D25E29 -94.34 4.07 -8.83 -1.05 0
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379831 134465013 2 F2H12C13 A2B12C13 -107.23 4.5 -9.02 -1.12 0
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379832 134465015 1 OF3C25H27 AB3C25D27 -108.99 4.18 -8.9 -1.1 0
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379833 134465017 1 F3H21C25 A3B21C25 -28.97 3.73 -8.92 -1.06 0
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379834 134465018 1 O2F3H19C21 A2B3C19D21 -122.42 4.29 -8.66 -0.9 0
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379835 134465019 1 O2F3C24H27 A2B3C24D27 -160.09 3.12 -8.91 -1.1 0
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379836 134465022 1 OF3H25C29 AB3C25D29 -70.31 4.18 -8.8 -1.17 0
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379837 134465025 1 OF3H15C18 AB3C15D18 -84.71 5.37 -8.72 -0.96 0
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379838 134465027 1 OF3H13C17 AB3C13D17 -68.61 4.13 -8.99 -1.12 0
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379839 134465030 1 OF3C24H27 AB3C24D27 -126.43 5.68 -8.58 -0.94 0
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379840 134465032 1 BrClFSN2O2H11C13 ABCDE2F2G11H13 -78.83 3.57 -9.78 -1.35 0
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379841 134465038 1 O2F3H25C26 A2B3C25D26 -120.14 6.01 -8.65 -1.03 0
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379842 134465039 1 O2F3C26H31 A2B3C26D31 -174.46 4.06 -8.6 -0.94 0
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379843 134465041 1 O2F3H19C20 A2B3C19D20 -139.04 7.15 -8.56 -0.89 0
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379844 134465046 1 F3C28H29 A3B28C29 -71.61 3.98 -8.89 -0.99 0
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379845 134465047 4 FH6C7 AB6C7 -65.87 5.1 -8.78 -1.21 0
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379846 134465049 1 F3C28H33 A3B28C33 -91.34 4.38 -8.8 -0.98 0
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379847 134465050 1 F3C23H25 A3B23C25 -84.28 3.89 -8.85 -0.94 0
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379848 134465051 1 OF3C22H23 AB3C22D23 -123.11 3.33 -9.01 -1.11 0
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379849 134465052 1 F3C26H31 A3B26C31 -103.52 4.05 -8.82 -0.89 0
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379850 134465056 1 F3H21C22 A3B21C22 -57.63 3.84 -8.84 -0.95 0
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379851 134465059 1 F3C26H31 A3B26C31 -100.76 4.29 -8.84 -0.91 0
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379852 134465061 3 F2C9H10 A2B9C10 -263.68 5.82 -8.92 -1.02 0
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379853 134465063 1 O2F3C25H27 A2B3C25D27 -174.95 5.19 -8.91 -0.98 0
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379854 134465064 1 ClF2C24H27 AB2C24D27 -51.94 3.9 -8.78 -0.92 0
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379855 134465065 1 F3C25H27 A3B25C27 -71.71 3.96 -8.88 -0.96 0
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379856 134465078 1 OF3C25H29 AB3C25D29 -134.57 3.41 -8.93 -1.02 0
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379857 134465079 1 OF3C23H25 AB3C23D25 -126.12 4.38 -8.92 -1.0 0
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379858 134465080 1 F3C28H33 A3B28C33 -109.76 4.13 -8.82 -0.91 0
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379859 134465085 1 F3H13C17 A3B13C17 -48.25 3.97 -8.89 -0.96 0
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379860 134958981 1 ClSiN5C11H14 ABC5D11E14 40.03 5.25 -9.34 -1.06 0
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379861 134958983 1 NO5H25C26 AB5C25D26 -114.64 2.66 -9.96 -0.85 0
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379862 134958987 2 N2O3H6C8 A2B3C6D8 27.22 11.67 -8.95 -2.28 0
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379863 134958988 2 N2O3H6C8 A2B3C6D8 6.75 9.93 -9.06 -1.8 0
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379864 134958989 2 OC6H9 AB6C9 -90.98 1.86 -9.25 0.75 0
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379865 134958992 1 SO4C60H81 AB4C60D81 -178.45 5.63 0.0 0.0 0
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379867 134958994 1 NO2H15C21 AB2C15D21 2.65 3.07 -8.65 -0.87 0
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379868 134958995 1 ClIO2F3N3H4C7 ABC2D3E3F4G7 -112.93 4.59 -10.31 -2.68 0
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379869 134958996 1 N2Si2O5C25H48 A2B2C5D25E48 -353.52 2.36 -8.87 -0.44 0