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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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137812 52266488 1 FN3O3C23H26 AB3C3D23E26 -93.79 1.86 -8.76 -0.27 0
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137813 52266560 2 NO2C10H13 AB2C10D13 -127.43 4.23 -8.72 -0.04 1
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137814 52266693 1 ON4C12H19 AB4C12D19 0.77 2.05 0.0 0.0 0
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137815 52266918 1 ON5C21H29 AB5C21D29 1.43 3.74 -8.39 0.17 0
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137816 52267130 1 NSO3C23H29 ABC3D23E29 -114.89 7.64 -9.47 -0.48 0
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137817 52267698 1 Cl2N2O3C16H18 A2B2C3D16E18 -117.67 2.04 -9.28 -0.83 1
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137818 52267703 1 SN4O4C16H23 AB4C4D16E23 -64.32 6.31 0.0 0.0 0
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137819 52267704 1 SN4O4C16H22 AB4C4D16E22 -78.84 7.92 -9.34 -0.42 1
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137820 52267705 1 SN4O4C16H23 AB4C4D16E23 -66.61 2.34 0.0 0.0 0
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137821 52267706 1 SN4O4C16H22 AB4C4D16E22 -77.77 8.5 -8.95 -0.48 1
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137822 52267707 1 N3O3C20H26 A3B3C20D26 -49.64 5.96 0.0 0.0 1
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137823 52267737 1 O3N4C21H27 A3B4C21D27 -48.87 8.16 0.0 0.0 0
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137824 52267998 2 NO2C10H16 AB2C10D16 -205.82 3.49 -9.59 0.06 0
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137825 52267999 2 NO2C10H16 AB2C10D16 -205.29 3.7 -9.41 0.36 1
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137826 52268000 1 SO2N3C13H18 AB2C3D13E18 -22.9 5.83 0.0 0.0 0
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137827 52268189 1 O2F3N5H16C19 A2B3C5D16E19 -137.68 4.69 -9.12 -1.26 0
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137828 52268706 1 FNSCl2O3C11H12 ABCD2E3F11G12 -175.7 3.96 -10.1 -1.32 0
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137829 52268814 1 N2C15H20 A2B15C20 37.8 5.62 -9.01 -0.51 0
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137830 52269087 1 OF2N4H20C21 AB2C4D20E21 -49.37 3.34 -9.23 -1.5 2
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137831 52269366 1 ON3C24H35 AB3C24D35 -6.46 4.65 -8.41 -0.5 0
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137832 52269367 1 ON3C24H33 AB3C24D33 -25.58 2.55 -8.59 0.18 0
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137833 52269855 1 N2O5C19H20 A2B5C19D20 -139.99 5.27 -8.75 -0.69 1
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137834 52270134 1 O2N6C21H27 A2B6C21D27 26.23 3.79 0.0 0.0 0
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137835 52270302 1 SO2N5H15C17 AB2C5D15E17 28.62 1.94 -8.85 -1.42 1
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137836 52270421 1 F2N2O2C23H25 A2B2C2D23E25 -126.2 4.39 0.0 0.0 0
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137837 52270579 1 SO2N4C20H22 AB2C4D20E22 12.02 6.04 -8.89 -0.15 0
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137838 52270580 1 SO2N4C20H22 AB2C4D20E22 7.49 7.26 -8.8 -0.63 0
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137839 52270631 1 N3O3C22H35 A3B3C22D35 -139.83 2.61 -8.78 0.1 0
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137840 52270743 1 NSCl2O2C14H17 ABC2D2E14F17 -93.35 3.24 -9.11 -0.94 0
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137841 52270744 1 NSCl2O2C14H17 ABC2D2E14F17 -94.03 3.03 -9.08 -0.93 0
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137842 52270794 1 NSO2C15H23 ABC2D15E23 -56.45 5.05 -9.05 0.17 1
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137843 52270819 1 N2O2C22H29 A2B2C22D29 -16.56 4.66 0.0 0.0 1
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137844 52270895 1 N3O3C17H26 A3B3C17D26 -122.59 3.31 0.0 0.0 1
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137845 52270907 1 N3O3C19H22 A3B3C19D22 -72.43 3.97 0.0 0.0 0
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137846 52270978 1 BrN2O3H15C16 AB2C3D15E16 -81.82 5.45 -9.01 -0.74 0
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137847 52270993 1 N2O3C18H20 A2B3C18D20 -98.12 3.3 -8.71 -0.48 0
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137848 52271941 1 NSO4C13H23 ABC4D13E23 -191.69 2.49 -9.5 0.73 0
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137849 52272510 1 OSN2C20H20 ABC2D20E20 24.76 5.52 -9.09 -0.77 0
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137850 52272627 1 NO2S2C14H15 AB2C2D14E15 -44.7 1.52 -8.91 -0.41 0
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137851 52272696 1 NSO2C12H17 ABC2D12E17 -87.53 2.65 -9.11 -0.39 0
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137852 52272925 1 O3N4C19H26 A3B4C19D26 -127.58 3.11 -8.93 -0.97 0
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137853 52272996 1 SO2N4C21H30 AB2C4D21E30 -82.62 4.47 -8.69 -0.97 1
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137854 52273044 1 SN3O3C18H28 AB3C3D18E28 -66.9 5.52 0.0 0.0 0
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137855 52273125 1 SF2O2N3C16H19 AB2C2D3E16F19 -137.52 3.59 -8.93 -0.14 0
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137856 52273259 1 F2N2O2C13H18 A2B2C2D13E18 -196.24 7.43 -9.03 -0.05 0
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137857 52273478 1 F2O3N4H20C21 A2B3C4D20E21 -175.63 2.87 -8.13 -1.12 0
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137858 52273636 1 SN2O2C16H20 AB2C2D16E20 -53.99 4.43 -8.64 -0.34 0
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137859 52273690 1 BrSO2N3H14C17 ABC2D3E14F17 -33.76 6.88 -9.22 -1.42 1
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137860 52273789 1 FO2N3C21H33 AB2C3D21E33 -132.72 5.97 0.0 0.0 1
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137861 52273886 1 FON2C23H30 ABC2D23E30 -56.23 4.93 0.0 0.0 1
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137862 52273957 1 ON6C19H29 AB6C19D29 50.16 5.08 0.0 0.0 1
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137863 52274281 1 FSO2N3C19H25 ABC2D3E19F25 -72.34 4.19 0.0 0.0 0
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137864 52274529 1 F2N2O4H16C17 A2B2C4D16E17 -220.07 5.87 -9.53 -0.91 0
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137865 52274530 1 N3O4C18H33 A3B4C18D33 -225.17 2.86 -9.7 0.8 1
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137866 52274718 1 FON2C19H24 ABC2D19E24 -37.1 2.8 0.0 0.0 0
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137867 52274838 1 N2O3C21H28 A2B3C21D28 -106.14 3.34 -8.29 0.18 0
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137868 52275209 1 FO2N3C19H20 AB2C3D19E20 -77.7 5.18 -9.01 -0.42 0
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137869 52275835 2 NO2C11H15 AB2C11D15 -134.47 5.82 -8.77 -0.03 0
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137870 52275881 1 N3O4C17H27 A3B4C17D27 -157.75 10.63 -8.66 -0.18 1
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137871 52275882 1 O3N4C18H27 A3B4C18D27 -107.51 10.69 0.0 0.0 0
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137872 52276242 2 NO2C10H15 AB2C10D15 -167.87 2.49 -8.83 0.19 0
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137873 52276490 1 NSO3C18H25 ABC3D18E25 -107.21 2.18 -9.71 0.0 0
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137874 52277021 1 FON4C16H19 ABC4D16E19 -32.28 7.07 -8.98 -0.34 0
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137875 52277123 1 ON5C22H27 AB5C22D27 39.17 6.45 -8.88 -0.48 0
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137876 52277657 1 O2N3C24H29 A2B3C24D29 -37.91 6.87 -8.86 -0.11 0
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137877 52277678 1 SN3O4C18H25 AB3C4D18E25 -163.51 5.53 -9.93 -0.79 0
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137878 52277679 1 SO2N3C14H19 AB2C3D14E19 -66.72 8.34 -9.01 -0.4 0
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137879 52277808 1 N3O3C16H25 A3B3C16D25 -134.5 5.29 -8.91 -0.22 0
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137880 52278452 1 OSN2C22H22 ABC2D22E22 25.94 4.48 -9.18 -0.54 0
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137881 52278902 2 ON3C10H13 AB3C10D13 -13.62 3.2 -8.76 -0.47 0
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137882 52279471 1 BrFN2O2H18C19 ABC2D2E18F19 -82.43 4.64 -9.11 -0.4 0
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137883 52279484 1 BrFSN2O2C16H16 ABCD2E2F16G16 -75.94 1.43 -9.58 -0.91 1
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137884 52279633 1 O2N5C22H30 A2B5C22D30 -36.32 2.81 0.0 0.0 0
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137885 52279634 1 O2N5C22H29 A2B5C22D29 -32.11 6.53 -7.85 -0.09 1
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137886 52279635 1 O2N5C17H28 A2B5C17D28 -82.65 3.38 0.0 0.0 0
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137887 52279636 1 O2N5C17H27 A2B5C17D27 -80.21 6.43 -7.97 0.14 1
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137888 52279637 1 O3N5C20H28 A3B5C20D28 -84.17 4.19 0.0 0.0 0
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137889 52279638 1 O3N5C20H27 A3B5C20D27 -83.91 4.69 -7.94 -0.13 1
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137890 52279639 1 ON6C20H29 AB6C20D29 14.94 2.68 0.0 0.0 1
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137891 52279698 1 ON4C16H31 AB4C16D31 -5.81 6.66 0.0 0.0 0
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137892 52279758 1 FN3O3C18H26 AB3C3D18E26 -175.92 1.71 -9.03 -0.17 0
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137893 52279798 1 O2N4C21H26 A2B4C21D26 0.95 4.41 -8.65 0.06 0
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137894 52279815 1 O2N4C21H28 A2B4C21D28 -32.88 4.32 -8.98 -0.06 0
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137895 52280196 1 OSN6C18H22 ABC6D18E22 73.18 4.68 -8.88 -0.68 0
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137896 52280717 1 F3O3N5C18H26 A3B3C5D18E26 -268.61 8.83 -8.76 -0.36 0
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137897 52280977 1 OSN4H14C15 ABC4D14E15 43.11 5.7 -8.75 -0.62 0
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137898 52281114 1 FSN2O2C19H23 ABC2D2E19F23 -86.81 3.38 -8.81 -0.3 0
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137899 52281174 1 FO2N3C16H18 AB2C3D16E18 -84.71 6.72 -8.8 -0.43 1
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137900 52281288 1 FO2N3C21H25 AB2C3D21E25 -53.51 5.02 0.0 0.0 0
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137901 52281537 2 N3C8H9 A3B8C9 97.85 4.9 -8.25 -0.46 0
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137902 52281538 2 N3C8H9 A3B8C9 96.23 2.92 -8.36 -0.44 0
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137903 52281816 1 ClN4O4C20H23 AB4C4D20E23 -124.94 2.85 -8.94 -0.39 0
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137904 52281817 1 ClN4O4C20H23 AB4C4D20E23 -130.51 3.66 -8.96 -0.28 0
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137905 52281840 1 SO3N5C15H21 AB3C5D15E21 -61.76 5.78 -9.14 -1.0 0
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137906 52281923 1 FO2N4C17H23 AB2C4D17E23 -120.57 1.51 -8.57 -0.08 0
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137907 52282314 1 ClN2O2H19C20 AB2C2D19E20 -44.57 5.43 -9.15 -0.96 0
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137908 52282342 1 OSN2C15H16 ABC2D15E16 8.32 2.62 -8.92 -0.69 0
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137909 52282853 1 SO2N5C18H21 AB2C5D18E21 26.78 6.0 -9.24 -1.38 1
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137910 52282854 1 SO2N5C18H22 AB2C5D18E22 41.75 14.47 0.0 0.0 0
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137911 52282856 1 O3N4C20H22 A3B4C20D22 -5.26 4.32 -8.45 -0.58 0