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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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135812 51939657 1 OF2N3C17H17 AB2C3D17E17 -70.8 4.28 -8.55 -0.28 0
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135813 51939658 1 OF2N3C17H17 AB2C3D17E17 -69.61 4.73 -8.78 -0.23 0
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135814 51939831 1 ClN3O3C19H20 AB3C3D19E20 -88.11 6.57 -8.96 -0.69 1
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135815 51940065 1 OS2N4C19H23 AB2C4D19E23 41.48 5.19 0.0 0.0 0
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135816 51940254 1 O2N3C15H19 A2B3C15D19 -34.9 4.06 -8.95 -0.07 0
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135817 51940255 1 FO2N3C14H16 AB2C3D14E16 -74.89 2.83 -9.1 -0.31 0
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135818 51940477 1 N2O4C23H28 A2B4C23D28 -106.92 8.9 -8.55 -0.74 0
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135819 51940478 1 N2O4C23H28 A2B4C23D28 -106.74 6.55 -8.24 -0.79 0
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135820 51940554 1 SN2O5C21H34 AB2C5D21E34 -222.98 4.77 -8.41 0.08 0
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135821 51940561 1 O3N4C23H28 A3B4C23D28 -86.79 7.91 -8.88 -0.88 0
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135822 51940737 1 N3O4C19H19 A3B4C19D19 -116.8 4.45 -9.49 -0.83 0
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135823 51940738 1 N3O4C19H19 A3B4C19D19 -116.85 6.27 -9.48 -0.83 0
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135824 51940861 1 FSN3O4H12C15 ABC3D4E12F15 -99.84 3.37 -9.56 -1.38 0
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135825 51940862 1 FSN3O4H12C15 ABC3D4E12F15 -99.25 4.17 -9.56 -1.39 0
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135826 51941391 1 N2O2C15H16 A2B2C15D16 -32.68 1.0 -9.26 -0.32 0
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135827 51941392 1 N2O2C15H16 A2B2C15D16 -23.31 5.16 -9.29 -0.2 1
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135828 51941608 1 BrClOSN2C17H19 ABCDE2F17G19 19.26 5.84 0.0 0.0 1
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135829 51941609 1 OSCl2N2C17H19 ABC2D2E17F19 7.69 3.79 0.0 0.0 -1
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135830 51941642 1 SO2N3C20H22 AB2C3D20E22 -23.13 2.98 0.0 0.0 0
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135831 51941704 1 SN3O3C19H29 AB3C3D19E29 -56.38 8.09 -9.03 -1.5 0
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135832 51942634 1 N2O3C21H30 A2B3C21D30 -142.09 4.44 -8.97 0.42 0
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135833 51943370 1 BrO2N3C19H26 AB2C3D19E26 -73.77 5.34 -8.95 -0.39 0
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135834 51943371 1 N3O3C25H31 A3B3C25D31 -93.01 1.45 -8.7 -0.04 0
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135835 51943372 1 N3O3C25H31 A3B3C25D31 -97.39 4.11 -8.73 -0.01 0
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135836 51943373 1 SN2O3C19H30 AB2C3D19E30 -137.13 2.77 -9.38 0.2 0
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135837 51943374 1 SN2O3C19H30 AB2C3D19E30 -141.2 4.47 -9.6 0.05 0
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135838 51943575 3 NOC7H9 ABC7D9 -83.12 2.78 -9.14 -0.38 0
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135839 51944601 1 F2N2O3C17H18 A2B2C3D17E18 -168.72 4.39 -8.7 -0.48 1
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135840 51945346 1 O2N4C24H31 A2B4C24D31 -3.97 2.85 0.0 0.0 1
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135841 51945873 1 O3N4C22H35 A3B4C22D35 -105.77 4.13 0.0 0.0 0
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135842 51946313 1 N3O3C19H19 A3B3C19D19 -52.07 10.41 -8.76 -0.77 0
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135843 51947887 1 BrON2C16H23 ABC2D16E23 -41.34 4.19 -8.82 -0.49 0
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135844 51947991 1 NSO3H15C16 ABC3D15E16 -53.37 4.77 -8.89 -0.43 0
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135845 51948782 1 BrNOC16H22 ABCD16E22 -57.23 1.88 -9.42 -0.17 0
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135846 51948783 1 BrNOC16H22 ABCD16E22 -57.2 1.27 -9.47 -0.22 0
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135847 51948784 1 BrNOC18H20 ABCD18E20 -19.51 3.11 -9.4 -0.1 1
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135848 51949146 1 ON5C21H32 AB5C21D32 -4.67 3.92 0.0 0.0 0
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135849 51949210 1 SO2N4C18H18 AB2C4D18E18 40.44 4.86 -9.17 -0.67 0
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135850 51949466 1 SN3O3C18H19 AB3C3D18E19 -90.46 7.04 -9.15 -0.44 0
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135851 51949491 1 S2N3O3H17C18 A2B3C3D17E18 -22.71 6.64 -8.66 -0.93 0
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135852 51949823 1 ClN2O3C21H21 AB2C3D21E21 -104.25 5.29 -9.24 -1.38 -1
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135853 51950387 1 ClO2S2N4H16C17 AB2C2D4E16F17 36.3 3.58 0.0 0.0 -1
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135854 51950388 1 ClSN3O3H17C19 ABC3D3E17F19 -40.01 0.64 0.0 0.0 1
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135855 51950389 1 ClN3O3H17C18 AB3C3D17E18 -74.19 6.53 0.0 0.0 0
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135856 51950390 1 NO3C20H27 AB3C20D27 -135.24 1.3 -9.24 0.13 0
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135857 51950712 1 NF2O2H19C22 AB2C2D19E22 -106.47 4.28 -8.89 -0.32 0
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135858 51950713 1 ClSN3O3H12C14 ABC3D3E12F14 17.35 1.25 -9.04 -0.7 0
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135859 51950714 1 ClSN3O3H12C14 ABC3D3E12F14 16.87 5.14 -9.17 -0.98 0
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135860 51950715 1 ClSN3O3H12C14 ABC3D3E12F14 16.65 5.86 -9.17 -0.98 0
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135861 51950716 1 ClSN3O3H12C14 ABC3D3E12F14 21.38 4.18 -9.12 -0.86 0
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135862 51950723 1 NO5C22H27 AB5C22D27 -183.37 6.97 -8.4 -0.33 0
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135863 51951361 1 F3N3O3C17H20 A3B3C3D17E20 -288.46 4.42 -10.21 -0.7 0
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135864 51951460 1 FO2N3C22H22 AB2C3D22E22 -68.3 1.3 -9.29 -1.01 0
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135865 51951461 1 FO2N3C22H22 AB2C3D22E22 -68.03 2.46 -9.29 -1.02 0
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135866 51951462 1 FO2N3C22H22 AB2C3D22E22 -83.35 2.46 -9.5 -1.03 0
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135867 51951577 1 SF2O2N4C19H26 AB2C2D4E19F26 -145.33 10.44 -8.69 -0.42 0
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135868 51951618 1 N4O5H18C21 A4B5C18D21 -160.47 9.86 -9.07 -0.91 1
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135869 51951785 1 ON3C20H26 AB3C20D26 33.35 4.38 0.0 0.0 0
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135870 51951839 1 SN2O2C18H24 AB2C2D18E24 -50.08 3.86 -9.22 -0.26 0
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135871 51951840 1 ClSN3O4C21H24 ABC3D4E21F24 -113.34 4.04 -9.57 -0.95 1
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135872 51951889 1 ON3C18H26 AB3C18D26 10.79 20.41 0.0 0.0 0
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135873 51951979 1 S2N4O4H18C19 A2B4C4D18E19 -39.45 4.59 -9.69 -2.02 0
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135874 51952051 1 FOSN5C19H22 ABCD5E19F22 -5.7 7.82 -8.82 -0.98 0
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135875 51952052 1 OSN5C20H25 ABC5D20E25 40.33 4.23 -8.65 -0.65 0
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135876 51952056 1 SO3N5C20H23 AB3C5D20E23 -34.75 9.67 -8.7 -0.98 0
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135877 51952109 1 O2N6C13H18 A2B6C13D18 -0.14 3.03 -9.7 -1.69 1
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135878 51952333 1 OS2N5C21H26 AB2C5D21E26 35.89 7.34 0.0 0.0 0
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135879 51952334 1 OS2N5C21H25 AB2C5D21E25 33.09 5.94 -8.51 -1.33 1
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135880 51952335 1 ON3C16H26 AB3C16D26 -11.92 2.52 0.0 0.0 1
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135881 51952530 1 O2Cl3N4C21H24 A2B3C4D21E24 2.47 8.69 0.0 0.0 1
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135882 51952674 1 ON2C19H29 AB2C19D29 21.71 2.65 0.0 0.0 0
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135883 51952687 1 S2N3O3C19H21 A2B3C3D19E21 -33.25 8.5 -8.46 -0.56 1
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135884 51952747 1 F3O3N4C18H26 A3B3C4D18E26 -248.32 5.05 0.0 0.0 0
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135885 51952748 1 ON2C18H26 AB2C18D26 -42.82 4.02 -8.99 0.44 0
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135886 51952749 1 ON2C18H26 AB2C18D26 -39.46 4.09 -8.54 0.56 0
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135887 51952750 1 O2N3C21H31 A2B3C21D31 -92.83 3.44 -9.12 0.15 0
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135888 51952751 1 O2N3C21H31 A2B3C21D31 -96.14 6.51 -9.12 0.27 0
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135889 51952752 1 SO2N3C22H31 AB2C3D22E31 -73.13 2.46 -8.72 -0.55 0
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135890 51952753 1 SO2N3C22H31 AB2C3D22E31 -71.07 3.9 -8.79 -0.76 0
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135891 51952758 1 O2N3C22H31 A2B3C22D31 -82.44 6.14 -8.89 0.24 1
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135892 51953024 1 SO2N3C18H26 AB2C3D18E26 -30.58 2.44 0.0 0.0 0
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135893 51953729 1 N2O4C19H24 A2B4C19D24 -99.78 2.19 -8.32 -0.38 0
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135894 51954024 1 FN3O4C21H28 AB3C4D21E28 -175.5 5.05 -8.93 -0.15 0
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135895 51954354 1 NO4C20H25 AB4C20D25 -126.5 3.75 -8.4 -0.22 0
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135896 51954764 1 O4N6C25H30 A4B6C25D30 -49.76 2.65 -8.58 -0.11 0
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135897 51954765 1 BrN2O2C19H23 AB2C2D19E23 -52.94 5.36 -8.29 -0.11 0
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135898 51954869 1 SO2N5C21H29 AB2C5D21E29 -50.92 8.52 -8.82 -0.43 0
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135899 51954870 1 SN7C22H25 AB7C22D25 150.47 0.48 -9.1 -0.84 0
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135900 51955013 1 IO2N3C17H24 AB2C3D17E24 -81.8 4.01 -8.74 -0.68 0
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135901 51955014 2 SN2O3C8H8 AB2C3D8E8 -93.38 10.61 -9.65 -1.79 0
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135902 51955015 2 SN2O3C8H8 AB2C3D8E8 -94.97 6.92 -9.95 -1.92 0
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135903 51955935 1 ClSN3O4C17H24 ABC3D4E17F24 -181.12 3.37 -8.59 -0.46 1
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135904 51955936 1 O2N4C20H23 A2B4C20D23 -4.02 2.66 0.0 0.0 1
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135905 51955937 1 N2O3C17H19 A2B3C17D19 -72.88 5.23 0.0 0.0 0
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135906 51956026 1 ClO2F3N4H18C19 AB2C3D4E18F19 -202.86 9.13 -8.96 -1.26 0
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135907 51956027 1 ClO2N4C21H25 AB2C4D21E25 -34.22 7.12 -8.72 -0.54 0
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135908 51956330 1 ClOSN4C19H23 ABCD4E19F23 9.45 4.55 -8.52 -0.64 0
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135909 51956331 1 ClOSN4C19H23 ABCD4E19F23 12.51 2.75 -8.62 -0.85 -1
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135910 51957035 1 FSCl2N2O3H14C17 ABC2D2E3F14G17 -94.03 9.76 0.0 0.0 -1
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135911 51957036 1 ClSN2O4C18H18 ABC2D4E18F18 -79.87 7.27 0.0 0.0 -1