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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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381884 134972744 1 NO5C19H27 AB5C19D27 -206.3 2.53 -9.52 -0.13 0
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381885 134972745 1 ClON2C21H21 ABC2D21E21 48.77 6.58 -9.22 -0.25 0
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381886 134972746 2 OSiN2C9H15 ABC2D9E15 -135.48 5.77 -8.55 -0.09 0
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381887 134972747 1 NOH19C20 ABC19D20 22.85 5.63 -9.69 -0.91 0
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381888 134972748 2 OC10H11 AB10C11 -47.79 3.49 -8.66 -0.21 0
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381889 134972749 1 NO2C8H15 AB2C8D15 -92.08 1.47 -10.17 -0.38 0
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381890 134972751 1 S2H10C17 A2B10C17 133.59 1.39 -8.55 -0.98 0
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381891 134972752 2 SH5C9 AB5C9 132.78 1.32 -8.54 -1.15 0
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381892 134972754 1 ClN2O5C20H21 AB2C5D20E21 -176.21 3.58 -9.61 -0.75 0
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381893 134972755 2 NO3C13H15 AB3C13D15 -221.31 4.85 -9.34 -0.06 0
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381894 134972756 2 NO3C13H15 AB3C13D15 -223.14 6.26 -9.55 -0.26 0
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381895 134972757 2 NO3C13H15 AB3C13D15 -224.18 2.96 -9.66 -0.13 0
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381896 134972758 1 NO6C19H25 AB6C19D25 -211.23 3.73 -8.83 0.09 0
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381897 134972759 1 NO5C13H21 AB5C13D21 -203.79 2.03 -9.38 0.46 0
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381898 134972760 1 ClNO5C18H22 ABC5D18E22 -180.24 2.28 -9.5 -0.28 0
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381899 134972761 1 ClNO5C20H20 ABC5D20E20 -107.56 7.26 -10.04 -1.31 0
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381900 134972762 1 IO6H17C20 AB6C17D20 -137.61 5.64 -8.22 -1.4 0
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381901 134972763 1 OS2C18H26 AB2C18D26 -51.62 1.63 -8.69 0.25 0
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381902 134972764 1 O6H14C19 A6B14C19 -156.23 8.78 -9.01 -2.11 0
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381903 134972765 1 BrO12C33H33 AB12C33D33 -361.82 5.58 -7.83 -1.05 0
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381904 134972766 1 O4C13H18 A4B13C18 -157.45 1.89 -9.91 -0.2 0
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381905 134972767 1 N2O2C15H18 A2B2C15D18 -47.23 3.28 -8.39 0.38 0
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381906 134972768 3 OC3H4 AB3C4 -102.69 7.2 -10.16 -0.25 0
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381907 134972769 1 IN2O9C15H17 AB2C9D15E17 -374.16 6.39 -9.74 -1.58 0
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381908 134972770 1 IN2O11C20H25 AB2C11D20E25 -473.48 6.77 -9.69 -1.6 0
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381909 134972771 1 SnN2O11C23H34 AB2C11D23E34 -495.06 5.49 -9.76 -0.41 0
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381910 134972772 1 SnN2O9C18H26 AB2C9D18E26 -396.19 7.23 -9.71 -0.26 0
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381912 134972776 2 OSiC9H11 ABC9D11 -110.4 2.15 -8.76 0.25 0
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381913 134972777 2 NC7H7 AB7C7 102.54 2.21 -8.5 -0.55 0
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381914 134972778 1 NSSiO4C17H27 ABCD4E17F27 -189.05 6.29 -8.75 -0.86 0
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381915 134972779 1 NSiO4C23H33 ABC4D23E33 -163.84 4.74 -9.0 -0.67 0
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381916 134972780 1 NC18H19 AB18C19 85.58 1.58 -8.58 0.34 0
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381917 134972781 1 ClNO2H12C15 ABC2D12E15 -47.04 4.49 -9.2 -0.65 0
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381918 134972782 1 ClNO5C20H20 ABC5D20E20 -109.91 0.83 -9.89 -1.37 0
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381919 134972783 1 O4C19H28 A4B19C28 -197.26 1.67 -8.27 0.52 0
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381920 134972784 1 SiO7C15H28 AB7C15D28 -370.1 4.43 -9.12 0.04 0
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381921 134972785 1 OC14H18 AB14C18 -40.73 3.79 -9.66 -0.07 0
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381922 134972786 1 SF3O6H21C23 AB3C6D21E23 -296.97 4.44 -8.23 -1.55 0
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381923 134972787 1 NO7C22H31 AB7C22D31 -311.27 2.66 -8.81 0.11 0
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381924 134972788 1 ClNO2C7H12 ABC2D7E12 -70.81 2.11 -9.28 0.38 0
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381925 134972790 2 OC14H22 AB14C22 -145.85 1.98 -9.01 1.55 0
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381926 134972791 1 N2O3H16C22 A2B3C16D22 7.06 4.73 -9.05 -1.12 0
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381927 134972792 1 NO2C19H25 AB2C19D25 -93.68 2.11 -8.9 -0.11 0
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381928 134972793 1 ON2C26H36 AB2C26D36 -20.77 5.25 -8.14 -0.18 -2
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381932 134972797 1 ClPO12C22H30 ABC12D22E30 -553.28 4.76 -9.61 -0.53 0
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381933 134972798 1 ClPSiO12C28H44 ABCD12E28F44 -648.89 3.45 -8.84 -0.28 0
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381934 134972800 2 OC5H10 AB5C10 -124.43 2.27 -9.8 1.98 1
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381935 134972801 1 BOPC33H37 ABCD33E37 119.47 5.34 0.0 0.0 0
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381936 134972802 1 O3C7H12 A3B7C12 -135.07 6.02 -10.72 0.72 0
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381937 134972803 1 NSiO7C35H37 ABC7D35E37 -216.93 5.23 -8.76 -0.6 0
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381938 134972804 1 NSSiF3O9C36H36 ABCD3E9F36G36 -438.61 4.32 -9.1 -1.56 0
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381939 134972805 1 NSSiF3O10C37H40 ABCD3E10F37G40 -492.68 2.9 -8.96 -1.54 0
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381940 134972806 1 NSSiF3O10C38H44 ABCD3E10F38G44 -501.79 2.96 -9.02 -1.53 0
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381941 134972807 1 NSiO3C23H31 ABC3D23E31 -124.66 2.95 -9.1 -0.01 0
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381942 134972808 1 SiN2O7C40H48 AB2C7D40E48 -198.51 5.92 -8.39 -0.18 0
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381943 134972812 1 OCl2H18C19 AB2C18D19 -23.19 5.52 -9.3 -0.66 0
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381944 134972814 1 NO5C15H23 AB5C15D23 -224.63 3.48 -10.0 -0.23 0
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381945 134972815 1 SN2O6C31H40 AB2C6D31E40 -223.9 8.47 -9.23 -0.14 0
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381946 134972816 1 O4C19H20 A4B19C20 -136.05 1.82 -9.49 0.07 0
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381947 134972818 1 BrNOH16C17 ABCD16E17 43.74 3.74 -9.44 -0.57 0
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381948 134972819 2 OC8H10 AB8C10 -63.1 5.26 -8.94 -0.1 0
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381949 134972820 1 O6H14C19 A6B14C19 -157.41 7.53 -9.34 -2.14 0
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381950 134972821 1 SeO2C11H18 AB2C11D18 -104.22 2.23 -8.43 -0.13 1
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381951 134972823 1 NO2C7H12 AB2C7D12 -74.6 3.58 0.0 0.0 1
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381952 134972824 1 BrNOC3H5 ABCD3E5 -16.07 4.49 0.0 0.0 0
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381953 134972826 1 SiO2C12H24 AB2C12D24 -136.55 2.33 -8.47 0.49 0
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381954 134972827 1 N2O4C17H18 A2B4C17D18 -50.13 1.98 -8.89 -1.18 0
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381955 134972829 1 N2O3C16H16 A2B3C16D16 -13.07 2.04 -9.15 -1.15 1
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381956 134972830 1 N2O3C16H17 A2B3C16D17 -20.07 5.63 0.0 0.0 1
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381957 134972832 1 O2S4F6H21C32 A2B4C6D21E32 -234.33 5.94 0.0 0.0 0
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381958 134972834 1 NO3H13C14 AB3C13D14 -45.92 5.86 -9.76 -0.87 0
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381959 134972835 1 O3C18H28 A3B18C28 -163.1 4.68 -9.16 0.51 0
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381960 134972838 1 ClO3C16H25 AB3C16D25 -183.9 7.91 -10.18 0.49 0
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381961 134972842 1 SnN2O11C34H54 AB2C11D34E54 -510.79 6.6 -9.24 -0.66 0
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381962 134972843 1 NOC21H27 ABC21D27 -19.61 2.92 -8.77 0.21 0
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381963 134972844 1 O4C17H26 A4B17C26 -206.55 3.33 -9.61 0.62 0
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381964 134972845 1 O3C17H24 A3B17C24 -143.88 2.97 -9.65 0.07 0
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381965 134972847 1 PO3H21C28 AB3C21D28 -34.95 8.53 -9.05 -0.55 0
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381966 134972850 1 ClON2H11C19 ABC2D11E19 76.9 7.5 -10.03 -1.4 0
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381967 134972851 1 NOCl3H10C18 ABC3D10E18 29.54 6.63 -9.58 -1.34 0
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381968 134972856 1 ClO3C21H23 AB3C21D23 -133.15 0.73 -8.66 -0.65 0
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381969 134972857 1 NOC22H35 ABC22D35 -79.77 4.04 -9.5 -0.13 0
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381970 134972858 2 S3H19C23 A3B19C23 117.39 1.67 -8.04 -1.18 -2
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381971 134972859 1 ClYN3H12C15 ABC3D12E15 77.65 5.24 0.0 0.0 -2
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381972 134972860 1 ClSYN3H12C15 ABCD3E12F15 50.96 7.71 0.0 0.0 -2
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381973 134972861 1 SYN3H11C15 ABC3D11E15 86.72 2.43 0.0 0.0 0
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381974 134972863 1 LiNaO3C7H10 ABC3D7E10 -181.19 11.29 -6.79 1.19 0
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381975 134972865 1 IN3O4C27H28 AB3C4D27E28 -4.53 3.86 -8.65 -1.48 0
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381976 134972866 1 SiO2S2N3C17H29 AB2C2D3E17F29 -94.47 2.79 -8.6 -0.96 0
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381977 134972868 1 OS2H22C25 AB2C22D25 60.15 2.49 -8.48 -0.88 0
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381978 134972869 1 OS2H18C19 AB2C18D19 33.36 1.8 -8.49 -0.89 0
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381979 134972870 1 OS2H12C19 AB2C12D19 91.5 3.41 -8.39 -1.04 0
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381980 134972871 1 N2O5C16H20 A2B5C16D20 -168.31 6.43 -9.89 -0.55 0
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381981 134972872 1 N2O5C21H26 A2B5C21D26 -171.35 2.66 -9.59 -0.19 0
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381982 134972873 1 BrSeO2C6H11 ABC2D6E11 -100.57 1.99 -8.89 -0.9 0
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381983 134972876 1 SO4H22C23 AB4C22D23 -100.13 3.41 -8.83 -0.36 0
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381984 134972877 2 OC6H9 AB6C9 -92.16 2.46 -9.31 0.47 0
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381986 134972879 6 C4H5 A4B5 48.88 1.15 -9.28 0.34 0
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381987 134972881 1 ClNC9H18 ABC9D18 -59.9 5.87 -9.61 0.96 0
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381988 134972882 2 OC8H14 AB8C14 -136.29 4.0 -9.39 2.42 0