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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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23769 606036 2 OC6H8 AB6C8 -64.12 2.01 -8.33 0.12 0
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23770 606043 1 O2N3C14H21 A2B3C14D21 -41.26 5.65 -8.02 -0.06 0
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23771 606053 2 BrOC3H4 ABC3D4 -81.63 1.68 -10.7 -1.39 0
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23772 606054 1 BrN2O2C6H7 AB2C2D6E7 -44.4 2.51 -10.11 -0.9 0
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23773 606058 2 SH4C5 AB4C5 72.95 0.01 -8.44 -0.72 0
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23774 606060 2 SH4C5 AB4C5 68.41 0.18 -8.76 -0.96 0
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23775 606061 1 OSN2H8C9 ABC2D8E9 6.06 6.04 -9.36 -1.14 0
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23776 606063 3 H4C5 A4B5 66.69 0.67 -8.6 -0.53 0
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23777 606069 1 ClN2H9C10 AB2C9D10 39.14 6.44 -8.8 -0.36 0
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23778 606071 1 NO2C14H21 AB2C14D21 -99.54 5.99 -8.53 -0.14 0
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23779 606074 2 NSC11H14 ABC11D14 57.58 2.04 -8.44 0.18 0
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23780 606082 1 NO2C13H19 AB2C13D19 -109.05 4.49 -9.56 -0.03 0
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23781 606084 1 NO3C18H21 AB3C18D21 -93.59 5.93 -9.0 0.03 0
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23782 606086 1 SF3N3O4C18H22 AB3C3D4E18F22 -297.97 5.1 -9.12 -0.75 0
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23783 606087 2 NO2C9H10 AB2C9D10 -42.69 7.9 -8.44 -0.78 0
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23784 606089 1 NO4C18H21 AB4C18D21 -135.14 6.8 -8.71 0.11 0
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23785 606090 1 SO2N3C14H19 AB2C3D14E19 -22.8 3.91 -9.17 -0.6 0
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23786 606092 1 ClNH16C21 ABC16D21 85.51 2.92 -8.87 -0.5 0
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23787 606093 1 BrNO2C17H18 ABC2D17E18 -28.43 3.42 -8.34 0.02 0
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23788 606095 1 N2O4C11H14 A2B4C11D14 -72.37 5.16 -9.59 -1.02 0
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23789 606097 2 NOCl2C8H8 ABC2D8E8 -78.98 1.03 -9.49 -0.66 0
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23790 606098 2 ClO2C6H7 AB2C6D7 -194.51 5.09 -9.64 -1.12 0
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23791 606099 2 NOC12H18 ABC12D18 -83.86 4.0 -8.51 0.14 0
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23792 606102 1 N2O3C17H24 A2B3C17D24 -111.23 4.75 -8.18 0.23 0
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23793 606103 1 NO5H11C12 AB5C11D12 -96.15 5.55 -10.41 -1.99 0
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23794 606104 1 OSiN3C12H19 ABC3D12E19 -6.14 6.1 -8.06 -0.82 0
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23795 606106 1 NO4H9C10 AB4C9D10 -54.62 3.71 -10.49 -1.89 0
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23796 606107 1 OSN3C14H19 ABC3D14E19 -4.46 1.9 -9.63 -1.24 0
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23797 606108 1 NOC13H23 ABC13D23 -62.46 2.59 -8.59 2.62 0
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23798 606110 1 O2N5C10H13 A2B5C10D13 -20.73 9.12 -9.17 -1.42 0
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23799 606112 1 N2H12C15 A2B12C15 85.96 4.31 -9.42 -1.02 0
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23800 606113 1 FNOC13H16 ABCD13E16 -70.83 5.21 -8.36 -0.38 0
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23801 606117 1 NO2C17H19 AB2C17D19 -41.9 8.62 -8.61 -0.35 0
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23802 606118 1 C21H22 A21B22 54.84 0.42 -8.84 0.31 0
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23803 606119 1 N2O5H12C13 A2B5C12D13 -188.02 2.87 -9.43 -0.68 0
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23804 606120 1 N2O3C12H14 A2B3C12D14 -54.38 1.52 -8.74 -0.55 0
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23805 606125 1 BrFNO3C19H19 ABCD3E19F19 -125.08 2.64 -8.37 -0.39 0
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23806 606126 1 FNOC14H18 ABCD14E18 -76.03 6.42 -8.38 -0.39 0
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23807 606127 1 NC17H17 AB17C17 48.08 3.2 -8.64 -1.06 0
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23808 606128 1 O5C12H14 A5B12C14 -194.31 7.16 -9.73 -0.61 0
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23809 606140 1 NO5C14H19 AB5C14D19 -104.39 9.64 -8.59 -0.88 0
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23810 606145 1 FNO2C17H18 ABC2D17E18 -80.06 3.25 -8.38 0.05 0
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23811 606147 1 NiO2C15H23 AB2C15D23 19.37 6.3 0.0 0.0 -5
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23812 606148 1 SN4C16H16 AB4C16D16 61.4 3.23 -8.26 -0.28 0
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23813 606151 1 NO3C19H23 AB3C19D23 -77.64 4.38 -8.09 0.21 0
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23814 606152 1 NO4C18H19 AB4C18D19 -114.77 8.32 -8.5 -0.5 0
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23815 606194 1 ON2C16H16 AB2C16D16 3.61 4.55 -8.99 -0.26 0
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23816 606199 1 O4N5H7C8 A4B5C7D8 -94.87 12.55 -10.12 -1.85 0
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23817 606206 1 N2S2H16C17 A2B2C16D17 101.8 6.27 -8.5 -1.07 0
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23818 606211 1 NO3C10H11 AB3C10D11 -100.13 5.72 -8.64 -0.29 0
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23819 606293 1 BrO2C12H17 AB2C12D17 -122.57 2.52 -10.4 -0.03 0
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23820 606298 1 OSiC12H20 ABC12D20 -94.02 2.25 -9.09 0.42 0
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23821 606303 1 N3H7C12 A3B7C12 172.74 2.57 -8.95 -1.97 0
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23822 606306 1 N7C12H21 A7B12C21 59.6 2.25 -8.81 -0.22 0
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23823 606335 1 O6H10C11 A6B10C11 -210.36 8.26 -9.46 -1.3 0
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23824 606338 1 ClOH15C17 ABC15D17 -10.39 3.0 -9.09 -0.94 0
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23825 606493 1 O2N5C20H27 A2B5C20D27 -10.55 4.43 -8.44 -0.44 0
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23826 606494 1 NO2C16H27 AB2C16D27 -122.16 2.1 -9.22 -0.13 0
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23827 606498 1 FSN2O4C14H15 ABC2D4E14F15 -154.15 3.96 -9.14 -0.6 0
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23828 606502 1 F3N3O4C11H14 A3B3C4D11E14 -269.07 7.31 -9.73 -0.04 0
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23829 606512 1 NF3O5C16H26 AB3C5D16E26 -426.84 3.7 -10.62 -0.3 0
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23830 606524 1 SF3O3N4H7C11 AB3C3D4E7F11 -114.7 6.26 -10.46 -1.8 0
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23831 606526 1 ON2C11H18 AB2C11D18 -50.73 3.8 -8.66 0.43 0
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23832 606527 1 O2N4C11H14 A2B4C11D14 -40.93 5.6 -10.28 -0.19 0
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23833 606540 1 N2O2F3H5C6 A2B2C3D5E6 -200.49 1.07 -10.98 -1.2 0
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23834 606541 2 NO2C8H8 AB2C8D8 -111.84 6.95 -9.55 -1.03 0
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23835 606579 1 N4H6C11 A4B6C11 135.66 10.63 -9.47 -2.01 0
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23836 606583 1 SN4C8H10 AB4C8D10 73.99 3.49 -8.88 -0.75 0
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23837 606600 2 OC6H9 AB6C9 -76.89 2.29 -8.14 0.29 0
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23838 606609 2 ON3C4H6 AB3C4D6 38.85 6.28 -9.56 -0.54 0
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23839 606610 1 ClO2H7C10 AB2C7D10 -50.36 4.19 -10.17 -1.45 0
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23840 606623 1 O3H20C29 A3B20C29 16.51 2.08 -9.6 -0.99 0
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23841 606628 1 SO2N5C14H15 AB2C5D14E15 22.74 5.67 -8.38 -0.72 0
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23842 606629 1 SO2N5C15H17 AB2C5D15E17 14.36 6.03 -8.15 -0.78 0
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23843 606648 2 O2C5H5 A2B5C5 -109.56 0.32 -8.95 -1.4 0
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23844 606653 1 OC15H16 AB15C16 -24.75 2.7 -8.54 -0.22 0
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23846 606670 1 N2H10C13 A2B10C13 82.41 3.92 -8.44 -0.52 0
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23847 606678 1 SN4C8H10 AB4C8D10 43.91 4.31 -8.18 -0.14 0
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23848 606686 1 NH13C14 AB13C14 81.49 1.44 -8.79 -0.69 0
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23849 606695 1 Cl2N2O2H4C5 A2B2C2D4E5 -54.01 3.8 -9.73 -0.71 0
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23850 606719 1 O4C15H22 A4B15C22 -189.95 5.88 -10.27 -0.54 0
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23851 606747 1 SN2O3C18H22 AB2C3D18E22 -71.35 3.29 -8.68 -0.48 0
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23852 606792 1 N4O5C14H16 A4B5C14D16 -119.28 4.21 -8.9 -0.55 0
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23853 606795 1 ClON2S2H7C12 ABC2D2E7F12 38.87 5.26 -9.08 -1.46 0
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23854 606818 1 N3O5H13C15 A3B5C13D15 -4.89 5.9 -10.08 -2.28 0
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23855 606833 1 N2O5C15H16 A2B5C15D16 -98.12 3.14 -8.53 -0.73 0
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23856 606836 1 ClN2F3O3H10C15 AB2C3D3E10F15 -174.13 6.82 -9.77 -1.63 0
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23857 606847 1 NO2C11H17 AB2C11D17 -117.92 3.0 -9.93 1.09 0
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23858 606880 1 NO3C10H13 AB3C10D13 -113.34 2.05 -8.62 0.08 0
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23859 606881 1 F3O4C11H11 A3B4C11D11 -291.29 8.0 -9.63 -0.62 0
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23860 606882 1 PSO4C12H19 ABC4D12E19 -198.09 7.65 -9.88 -0.09 0
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23861 606883 3 NH3C4 AB3C4 81.98 5.68 -8.74 -0.91 0
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23862 606884 1 N2O3H12C15 A2B3C12D15 -13.99 5.31 -9.35 -1.15 0
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23863 606885 1 OSF3N5H8C15 ABC3D5E8F15 -42.23 4.81 -9.28 -2.01 0
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23864 606886 1 NO8C20H29 AB8C20D29 -321.87 4.6 -8.68 -0.72 0
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23866 606888 2 H2F3C4 A2B3C4 -300.29 0.15 -10.87 -1.39 -6
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23867 606890 1 NOH23C24 ABC23D24 75.1 2.82 -8.84 -0.76 0
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23868 606893 1 O6C19H20 A6B19C20 -178.14 3.42 -8.55 -0.3 0
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23869 606959 1 NSO3Cl5H6C12 ABC3D5E6F12 -103.28 4.29 -9.63 -1.28 0
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23870 606960 1 NOC12H21 ABC12D21 -48.3 1.66 -8.64 1.75 0