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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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320800 126663538 1 NOC14H23 ABC14D23 -22.9 3.81 -8.98 0.03 0
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320801 126663539 1 NOC13H15 ABC13D15 -18.48 3.57 -8.93 -0.08 0
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320802 126663558 1 N2H10C11 A2B10C11 79.92 1.6 -8.93 -0.25 0
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320803 126663559 1 NS2C14H19 AB2C14D19 9.6 3.22 -8.46 -0.55 0
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320804 126663582 1 Br3N4C14H15 A3B4C14D15 65.92 4.76 -8.53 -0.67 0
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320805 126663583 1 BrN2C18H23 AB2C18D23 2.1 3.92 -8.07 0.21 0
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320806 126663607 1 N2C15H16 A2B15C16 64.65 4.61 -9.23 -0.33 0
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320807 126663610 1 N3H13C16 A3B13C16 131.04 5.24 -8.78 -0.99 0
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320808 126663622 2 NOC7H10 ABC7D10 -70.16 3.78 -9.41 -0.23 0
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320809 126663631 1 N7H13C15 A7B13C15 192.0 4.34 -9.11 -0.89 0
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320812 126663699 1 ClN4O6C32H47 AB4C6D32E47 -251.71 4.75 -8.8 -0.42 0
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320813 126663704 1 BrFN3O7C26H29 ABC3D7E26F29 -296.58 8.76 -8.08 -1.34 0
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320815 126663709 1 FNOH10C11 ABCD10E11 -65.59 4.6 -8.87 -0.39 0
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320816 126663710 4 N2H5C6 A2B5C6 203.42 11.9 -8.76 -0.98 0
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320817 126663735 1 ON2Br3C16H21 AB2C3D16E21 -34.26 4.48 -8.84 -0.67 0
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320821 126663759 2 NC6H7 AB6C7 32.56 2.78 -7.74 0.25 0
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320822 126663760 1 NC15H23 AB15C23 -11.09 1.6 -8.07 0.55 0
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320824 126663773 1 SN2H44C55 AB2C44D55 194.48 1.16 -7.73 -0.83 0
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320825 126663788 1 ON5C17H19 AB5C17D19 76.83 6.02 -9.21 -1.12 0
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320826 126663791 1 BrO3H15C16 AB3C15D16 -81.43 1.7 -9.22 -0.67 0
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320828 126663794 1 S2N4H30C45 A2B4C30D45 248.61 4.3 -8.02 -0.89 0
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320830 126663799 1 NF3H8C9 AB3C8D9 -121.61 6.05 -9.86 -0.79 0
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320831 126663805 1 ClF2N3O6H18C21 AB2C3D6E18F21 -249.46 4.34 -9.35 -1.05 0
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320835 126663812 1 SN2O4C8H18 AB2C4D8E18 -182.62 4.39 -9.85 -0.5 0
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320837 126663839 1 NOC18H25 ABC18D25 -28.71 4.63 -9.27 0.0 0
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320838 126663840 1 SF3N3O4H20C23 AB3C3D4E20F23 -205.23 10.05 -8.81 -1.46 0
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320839 126663843 1 NOSC8H11 ABCD8E11 -3.16 3.09 -8.62 0.15 0
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320847 126663866 1 BrFO3C21H24 ABC3D21E24 -148.51 1.65 -9.13 -0.69 0
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320850 126663870 1 NC10H19 AB10C19 13.57 1.32 -8.5 2.49 0
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320851 126663871 1 ClN2O8H31C36 AB2C8D31E36 -149.91 4.16 -9.29 -1.72 0
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320852 126663873 1 NC9H19 AB9C19 -13.16 1.41 -8.55 2.89 0
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320853 126663875 1 O2N7C27H27 A2B7C27D27 59.45 4.16 -7.82 -0.56 0
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320854 126663876 1 FO3C16H17 AB3C16D17 -110.69 5.45 -8.9 -0.36 0
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320856 126663879 1 ClN2H35C48 AB2C35D48 180.73 2.41 -7.84 -0.69 0
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320857 126663880 1 F2N3O7C27H33 A2B3C7D27E33 -364.93 8.06 -8.57 -1.4 0
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320860 126663920 1 O2H8C9 A2B8C9 -41.39 5.06 -9.1 -0.35 0
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320861 126663921 1 O3H10C11 A3B10C11 -76.45 4.66 -9.57 -0.69 0
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320862 126663925 1 INO2C18H28 ABC2D18E28 -90.35 4.02 -9.87 -1.54 0
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320864 126663957 1 IN2O2C13H21 AB2C2D13E21 -12.97 4.47 -9.42 -1.75 0
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320866 126663959 1 ClN2O8C28H31 AB2C8D28E31 -291.52 11.34 -7.81 -1.38 0
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320867 126663962 2 OC6H7 AB6C7 -58.64 2.76 -8.53 0.19 0
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320868 126663964 1 ClNO4C26H26 ABC4D26E26 -90.88 1.4 -9.26 -0.7 0
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320869 126663976 2 NC3H8 AB3C8 -27.47 2.38 -9.22 2.84 0
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320871 126664002 1 F3S3N5O5C20H20 A3B3C5D5E20F20 -266.69 7.55 -9.18 -1.37 0
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320872 126664003 1 NC10H23 AB10C23 -38.93 1.25 -8.41 2.88 0
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320873 126664007 1 NOSC4H11 ABCD4E11 -42.38 2.96 -8.62 0.73 0
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320874 126664014 1 F2O4C23H30 A2B4C23D30 -283.32 2.74 -9.8 -0.08 0
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320875 126664031 1 ClNO8H32C36 ABC8D32E36 -174.31 5.74 -8.88 -0.7 0
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320876 126664051 1 INO2C12H22 ABC2D12E22 -114.24 3.13 -8.82 -1.64 1
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320877 126664061 1 N2S4O15C43H51 A2B4C15D43E51 -541.45 6.55 0.0 0.0 1
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320878 126664062 1 N2S2O8C44H53 A2B2C8D44E53 -266.78 4.6 0.0 0.0 1
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320879 126664063 1 N2S4O14C44H53 A2B4C14D44E53 -504.09 5.69 0.0 0.0 3
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320880 126664068 1 S2N4O9C47H63 A2B4C9D47E63 -227.58 6.59 0.0 0.0 0
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320881 126664096 1 ClOS2N5C20H20 ABC2D5E20F20 77.08 4.1 -8.64 -0.89 0
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320883 126664103 1 OS2N3C9H9 AB2C3D9E9 15.53 3.51 -8.89 -1.13 0
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320884 126664106 1 SC36H50 AB36C50 75.41 2.54 -6.52 0.66 0
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320885 126664112 1 INSO7C14H18 ABCD7E14F18 -239.31 5.87 -10.17 -1.75 0
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320886 126664114 1 NO2C8H13 AB2C8D13 -92.38 2.67 -9.09 0.28 0
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320888 126664120 1 FNH20C24 ABC20D24 32.28 1.26 -7.78 -0.05 0
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320890 126664123 1 OS2N3C17H17 AB2C3D17E17 24.29 4.03 -8.61 -0.84 0
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320892 126664127 1 S2N4O4F6C17H18 A2B4C4D6E17F18 -440.35 5.19 -8.84 -1.16 0
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320893 126664143 1 SN11O18C64H81 AB11C18D64E81 -712.15 5.45 -8.98 -2.02 0
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320894 126664168 1 S2O3N4C20H26 A2B3C4D20E26 -30.91 5.58 -9.06 -0.94 0
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320895 126664169 1 ClSN5O5C19H22 ABC5D5E19F22 -68.0 11.45 -8.58 -0.77 0
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320896 126664170 1 FN2O2H9C11 AB2C2D9E11 -28.49 5.6 -10.28 -1.11 0
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320897 126664211 1 N5C10H11 A5B10C11 121.99 7.66 -9.17 -0.9 0
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320898 126664219 1 F3N3S3O5H16C18 A3B3C3D5E16F18 -273.65 4.04 -8.76 -1.44 1
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320899 126664220 1 S5N9O26C74H98 A5B9C26D74E98 -1036.82 15.83 0.0 0.0 0
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320900 126664221 1 O2S2N3C16H21 A2B2C3D16E21 -50.66 6.12 -8.76 -1.08 0
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320901 126664222 1 IN2O2C14H23 AB2C2D14E23 -15.11 2.48 -9.69 -1.76 0
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320902 126664223 1 IO2C15H27 AB2C15D27 -136.1 2.69 -9.72 -1.23 0
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320903 126664224 1 F3O4N6C23H23 A3B4C6D23E23 -219.43 9.05 -9.14 -1.47 0
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320904 126664225 1 NO2C21H25 AB2C21D25 -35.28 0.54 -9.12 0.41 0
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320905 126664226 1 NO3C21H27 AB3C21D27 -109.25 3.43 -9.24 0.2 0
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320906 126664227 1 FO2N5C21H24 AB2C5D21E24 -30.06 5.0 -8.37 -0.4 0