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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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443777 135259977 1 F3O3N4C28H35 A3B3C4D28E35 -242.07 3.49 -8.99 -0.75 0
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443778 135259978 1 FN3O3C31H44 AB3C3D31E44 -163.02 7.2 -8.77 -0.68 0
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443779 135259979 1 N2O3C22H26 A2B3C22D26 -92.12 5.38 -8.86 -0.72 0
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443780 135259980 1 O2F4N6H20C21 A2B4C6D20E21 -174.43 4.02 -8.36 -1.06 0
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443781 135259982 1 OF4N5H17C22 AB4C5D17E22 -97.54 6.84 -9.38 -1.17 0
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443782 135259983 1 FO2N5H20C22 AB2C5D20E22 18.73 2.95 -9.54 -0.78 0
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443783 135259985 1 FON4C10H11 ABC4D10E11 3.76 2.08 -8.94 -0.38 0
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443784 135259986 1 ClSN2O4C20H23 ABC2D4E20F23 -128.9 6.03 -9.22 -1.12 0
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443785 135259987 1 O2N6C23H24 A2B6C23D24 76.42 2.76 -8.63 -0.22 0
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443786 135259988 1 N2O2C29H38 A2B2C29D38 -57.66 6.9 -8.84 -0.5 0
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443787 135259990 1 OF2N4C10H10 AB2C4D10E10 -40.05 2.81 -8.99 -0.62 0
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443788 135259992 1 N2O4C19H22 A2B4C19D22 -112.28 6.02 -9.07 -0.64 0
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443789 135259993 1 OF2N7H19C21 AB2C7D19E21 1.16 7.34 -8.74 -1.17 0
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443790 135259994 1 O2N4C25H30 A2B4C25D30 -13.17 6.88 -9.06 -0.6 0
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443791 135259995 1 N3O3C28H35 A3B3C28D35 -78.59 7.34 -8.88 -0.91 0
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443792 135259998 1 NSO3C10H11 ABC3D10E11 -89.92 1.16 -10.04 -0.84 0
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443793 135259999 1 ON2C27H30 AB2C27D30 18.61 1.79 -8.9 -0.13 0
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443794 135260001 1 ON5C11H11 AB5C11D11 80.39 4.25 -9.09 -0.92 0
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443795 135260003 1 F2O2N3C25H31 A2B2C3D25E31 -132.1 5.11 -8.92 -0.65 0
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443796 135260004 1 O2N3C25H29 A2B3C25D29 -12.72 6.03 -8.8 -0.71 0
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443797 135260006 1 ClN2O3C21H23 AB2C3D21E23 -88.71 3.77 -9.4 -0.77 0
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443798 135260009 1 N2O4C21H24 A2B4C21D24 -94.88 3.89 -9.31 -1.09 0
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443799 135260011 1 O2N3C26H29 A2B3C26D29 -7.54 6.7 -8.91 -0.68 0
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443800 135260015 1 ClN2O3C22H25 AB2C3D22E25 -97.99 5.07 -9.33 -0.7 0
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443801 135260017 2 ON2C14H20 AB2C14D20 -11.33 6.33 -8.32 -0.89 0
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443802 135260018 1 FO2N5H20C22 AB2C5D20E22 22.44 6.96 -9.45 -1.13 0
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443803 135260027 1 FO2N3C26H34 AB2C3D26E34 -97.99 7.72 -8.8 -0.6 0
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443804 135260028 1 N2O3C23H28 A2B3C23D28 -97.07 2.87 -8.77 -0.43 0
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443805 135260029 1 FO2N3C26H34 AB2C3D26E34 -97.31 5.93 -8.85 -0.63 0
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443806 135260031 1 N3O3C20H23 A3B3C20D23 -68.03 3.0 -9.48 -0.8 0
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443807 135260032 1 O3N4C18H22 A3B4C18D22 -59.73 3.75 -9.37 -0.76 0
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443808 135260040 2 FN2O2C11H11 AB2C2D11E11 -124.72 5.07 -9.16 -0.61 0
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443809 135260041 1 FN5H8C10 AB5C8D10 74.42 3.76 -9.17 -1.27 0
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443810 135260044 1 N2O2C25H28 A2B2C25D28 -26.61 6.53 -8.82 -0.68 0
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443811 135260045 1 N5H9C10 A5B9C10 120.05 2.4 -9.09 -1.0 0
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443812 135260046 1 OF2N4C10H10 AB2C4D10E10 -38.61 1.62 -8.94 -0.55 0
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443813 135260047 1 N2O3C21H26 A2B3C21D26 -90.24 7.65 -8.92 -0.8 0
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443814 135260048 1 ClN2O3C21H23 AB2C3D21E23 -93.71 5.22 -9.09 -0.75 0
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443815 135260060 1 ON5C11H11 AB5C11D11 80.67 6.37 -8.97 -0.72 0
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443816 135260061 1 SN4O4C27H38 AB4C4D27E38 -127.92 6.38 -8.7 -0.66 0
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443817 135260074 1 N2O5H14C16 A2B5C14D16 -56.93 5.73 -9.85 -1.64 0
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443818 135260077 1 O2N4H16C19 A2B4C16D19 56.8 3.63 -9.32 -1.03 0
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443819 135260085 1 FN2O2C21H21 AB2C2D21E21 -52.43 4.89 -8.85 -0.77 0
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443820 135260089 1 SF2O2N5H19C25 AB2C2D5E19F25 -30.56 6.28 -8.76 -1.52 0
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443821 135260092 1 FO3N5H20C25 AB3C5D20E25 -16.5 3.64 -8.71 -1.48 0
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443822 135260098 1 OC25H32 AB25C32 -16.82 3.69 -9.05 -0.97 0
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443823 135260101 1 OC23H26 AB23C26 9.24 4.29 -8.79 -0.89 0
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443824 135260102 1 O2C17H22 A2B17C22 -70.37 5.1 -9.7 -0.8 0
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443825 135260104 1 NOF6C9H13 ABC6D9E13 -371.75 2.13 -10.34 -0.51 0
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443826 135260111 1 OH20C22 AB20C22 32.51 2.71 -9.14 -0.8 0
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443827 135260112 1 O2C19H26 A2B19C26 -82.64 5.78 -9.38 -0.68 0
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443828 135260114 2 OH10C11 AB10C11 -2.68 4.17 -8.75 -0.97 0
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443829 135260123 1 O3C19H20 A3B19C20 -59.84 1.67 -8.6 0.08 0
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443830 135260124 1 O3C20H24 A3B20C24 -70.23 1.3 -8.06 0.21 1
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443831 135260128 1 PO2N3C13H25 AB2C3D13E25 -117.87 6.5 0.0 0.0 0
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443832 135260131 1 ClO3F6N8H39C42 AB3C6D8E39F42 -217.87 4.0 -8.65 -1.09 0
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443833 135260132 1 ClSF4O4N7H32C36 ABC4D4E7F32G36 -171.15 7.56 -8.58 -1.03 0
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443834 135260134 1 O3F7N8H35C40 A3B7C8D35E40 -253.78 6.7 -8.48 -1.06 0
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443835 135260135 1 BrO2N4F7H22C28 AB2C4D7E22F28 -289.27 8.66 -9.87 -1.21 0
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443836 135260140 1 O3N6F8H24C33 A3B6C8D24E33 -405.94 8.15 -9.46 -1.38 0
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443837 135260142 1 SF2O5N7C36H43 AB2C5D7E36F43 -170.01 1.47 -8.75 -0.98 0
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443838 135260143 1 ClSO4F7N8H32C37 ABC4D7E8F32G37 -328.12 8.12 -8.45 -1.0 0
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443839 135260144 1 ClO2F7N7H29C36 AB2C7D7E29F36 -228.57 6.6 -8.3 -1.04 0
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443840 135260145 1 O3N5F8H27C35 A3B5C8D27E35 -348.37 7.1 -9.74 -1.05 0
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443841 135260147 1 SO4F6N8H32C36 AB4C6D8E32F36 -246.24 6.83 -8.61 -0.96 0
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443842 135260149 1 ClO3F6N7H32C38 AB3C6D7E32F38 -238.65 6.14 -8.58 -1.17 0
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443843 135260150 1 ClO3N6F7H26C37 AB3C6D7E26F37 -239.33 2.13 -9.08 -0.88 0
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443844 135260151 1 O2F6N8H30C37 A2B6C8D30E37 -134.46 8.57 -8.3 -1.15 0
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443845 135260153 1 ClF2O2N5C32H34 AB2C2D5E32F34 -76.85 6.47 -8.45 -1.1 0
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443846 135260154 1 ClF2O2N5C32H34 AB2C2D5E32F34 -95.2 5.81 -8.13 -0.85 0
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443847 135260157 1 N3O5C23H37 A3B5C23D37 -209.11 4.79 -8.79 -0.39 0
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443848 135260158 2 OC11H22 AB11C22 -166.56 2.54 -9.56 0.87 0
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443849 135260159 2 OC9H18 AB9C18 -152.94 2.64 -9.38 0.95 0
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443850 135260160 2 OC9H18 AB9C18 -153.66 2.78 -9.45 1.12 0
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443851 135260161 1 ClO2F6N8H31C38 AB2C6D8E31F38 -153.08 6.96 -8.48 -1.17 0
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443852 135260162 1 ClO2F6N8H27C34 AB2C6D8E27F34 -159.59 5.34 -9.22 -1.46 0
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443853 135260163 1 O3F5N6C31H31 A3B5C6D31E31 -250.4 8.76 -9.63 -1.37 0
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443854 135260164 1 O3F5N6C31H31 A3B5C6D31E31 -248.5 4.9 -9.51 -1.17 0
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443855 135260171 1 SN3F5O5H30C32 AB3C5D5E30F32 -351.67 8.59 -9.28 -1.13 0
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443856 135260172 1 O3N7C20H23 A3B7C20D23 30.9 10.01 -9.14 -0.64 0
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443857 135260173 1 BrCl2N4O5H17C22 AB2C4D5E17F22 -120.45 6.67 -9.46 -1.73 0
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443858 135260176 1 OC18H34 AB18C34 -104.81 3.55 -10.04 0.0 0
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443860 135260188 1 SF3N4O6H27C32 AB3C4D6E27F32 -228.97 2.85 -9.42 -1.13 0
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443861 135260197 1 ClS2O7N8C55H63 AB2C7D8E55F63 -60.94 11.65 -8.55 -1.19 0
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443862 135260207 1 NSO7C45H91 ABC7D45E91 -502.39 5.55 -9.57 -0.39 0
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443863 135260224 1 N3O4H17C18 A3B4C17D18 -118.97 4.94 -9.55 -1.04 0
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443864 135260225 1 F2O3N6H20C24 A2B3C6D20E24 -119.48 6.63 -9.11 -1.08 0
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443865 135260226 1 F2O3N5H21C25 A2B3C5D21E25 -129.48 5.77 -8.82 -1.06 0
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443866 135260229 1 ClNSO2C3H8 ABCD2E3F8 -113.98 4.24 -10.99 0.14 0
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443867 135260231 1 ON2C12H18 AB2C12D18 -36.05 3.37 -9.41 -0.19 0
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443868 135260232 2 FNO2H9C12 ABC2D9E12 -183.12 6.14 -8.73 -1.16 0
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443869 135260234 1 ClFO3N6H20C24 ABC3D6E20F24 -83.86 5.78 -9.16 -1.18 0
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443870 135260235 1 FO3N4H25C27 AB3C4D25E27 -98.4 2.71 -8.98 -0.96 0
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443871 135260237 1 FO4N5H22C26 AB4C5D22E26 -124.59 5.37 -9.55 -1.0 0
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443872 135260238 1 F3O3N6H19C24 A3B3C6D19E24 -165.36 7.84 -9.15 -1.2 0
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443873 135260245 1 FON7H22C27 ABC7D22E27 126.73 8.75 -8.64 -2.08 0
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443874 135260248 1 FSO3N8H25C30 ABC3D8E25F30 55.86 9.6 -8.2 -1.72 0
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443875 135260249 1 FSO3N8H25C30 ABC3D8E25F30 57.4 11.65 -8.2 -1.7 0
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443876 135260250 1 SO2N6H26C30 AB2C6D26E30 123.92 7.52 -8.66 -2.16 0
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443877 135260255 1 FO2N8C37H37 AB2C8D37E37 62.49 6.51 -8.66 -2.12 0