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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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397852 135030842 1 NO3H25C29 AB3C25D29 -41.86 4.44 -9.46 -0.63 0
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397853 135030844 1 ClN4O5C31H35 AB4C5D31E35 -175.1 1.88 -8.47 -0.56 0
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397854 135030845 1 O3C19H20 A3B19C20 -85.21 3.88 -9.32 -0.23 0
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397855 135030846 1 O3C25H26 A3B25C26 -53.61 5.65 -8.63 -0.02 0
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397856 135030847 1 O3C13H14 A3B13C14 -116.83 3.39 -9.6 0.0 0
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397857 135030848 1 NO2C13H15 AB2C13D15 -57.71 2.65 -9.75 -0.58 0
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397858 135030849 1 NO2C22H31 AB2C22D31 -97.3 1.85 -9.16 -0.58 0
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397859 135030850 1 O5C19H40 A5B19C40 -312.65 2.71 -10.31 1.65 0
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397860 135030851 1 NSO2H19C22 ABC2D19E22 -10.33 5.26 -8.89 -0.72 0
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397861 135030852 1 FNOSH16C21 ABCDE16F21 -14.02 3.98 -8.87 -0.94 0
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397862 135030853 1 NSO2H15C19 ABC2D15E19 7.27 3.72 -9.19 -0.88 0
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397863 135030855 1 SO3C17H20 AB3C17D20 -95.82 1.15 -7.88 0.23 0
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397864 135030856 1 O9C17H26 A9B17C26 -398.96 5.56 -10.16 0.35 0
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397866 135030859 1 O7C32H34 A7B32C34 -207.14 3.23 -9.27 -0.05 1
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397867 135030860 1 SeO7C38H39 AB7C38D39 -171.56 2.71 0.0 0.0 0
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397868 135030861 1 SF3O8H27C28 AB3C8D27E28 -399.68 4.13 -9.43 -1.46 1
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397869 135030862 1 ON4H5C6 AB4C5D6 92.02 1.25 0.0 0.0 0
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397870 135030863 1 N2O3H24C27 A2B3C24D27 -36.54 5.83 -8.38 -0.5 0
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397871 135030868 1 OSN4H18C22 ABC4D18E22 86.38 8.65 -8.22 -1.23 0
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397872 135030869 1 NO2C6H9 AB2C6D9 -55.69 1.97 -9.27 0.07 0
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397873 135030875 1 O3Cl9H13C14 A3B9C13D14 -163.41 5.74 -9.46 -0.86 -1
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397874 135030876 1 O3Cl6C12H13 A3B6C12D13 -118.1 5.81 0.0 0.0 0
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397875 135030888 1 SiO3C30H40 AB3C30D40 -136.32 2.21 -9.01 0.07 0
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397876 135030889 1 ON3H15C17 AB3C15D17 35.04 4.38 -8.86 -0.57 0
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397877 135030890 1 ON3H15C16 AB3C15D16 36.72 4.18 -8.99 -0.51 0
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397878 135030891 2 OC6H7 AB6C7 -57.71 2.69 -9.58 0.17 0
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397879 135030892 1 SO3H16C18 AB3C16D18 -64.04 1.94 -8.5 -1.03 0
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397880 135030893 1 BrSO2H13C17 ABC2D13E17 -20.63 1.72 -8.79 -1.29 0
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397881 135030895 1 ClSO2H13C17 ABC2D13E17 -32.49 1.7 -8.73 -1.29 0
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397882 135030898 1 SO4C20H20 AB4C20D20 -110.61 3.15 -8.17 -0.97 0
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397883 135030899 1 OC26H26 AB26C26 74.38 3.39 -8.86 0.42 0
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397884 135030902 1 NPSiO4C41H52 ABCD4E41F52 -164.02 9.08 -8.36 -0.5 0
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397885 135030906 1 BrO4C17H17 AB4C17D17 -119.32 2.57 -9.51 -0.23 0
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397886 135030907 1 BrO9C13H17 AB9C13D17 -394.52 7.01 -10.68 -0.84 0
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397887 135030912 1 SiO4C31H42 AB4C31D42 -173.04 4.11 -8.94 0.18 0
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397888 135030913 1 SiO3C29H40 AB3C29D40 -113.84 3.45 -8.88 0.19 0
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397889 135030914 2 OC12H14 AB12C14 -16.63 2.84 -9.31 0.34 0
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397890 135030916 1 BrO2H15C16 AB2C15D16 -32.77 1.6 -8.49 -0.14 0
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397891 135030918 1 OC14H18 AB14C18 -48.2 3.6 -9.17 0.44 0
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397892 135030920 1 NO4H15C19 AB4C15D19 -82.12 4.63 -9.22 -0.9 0
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397893 135030921 2 NO2C8H8 AB2C8D8 -116.31 8.26 -9.03 -0.59 0
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397894 135030922 1 NO6C20H25 AB6C20D25 -246.05 4.29 -8.34 0.05 0
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397895 135030923 1 NO9C23H29 AB9C23D29 -373.97 1.67 -8.28 -0.45 0
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397896 135030924 2 NO5C16H18 AB5C16D18 -373.74 3.24 -7.7 -0.34 0
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397897 135030925 1 N2O14C39H46 A2B14C39D46 -558.11 8.53 -8.13 -0.5 0
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397898 135030926 1 SO8C39H44 AB8C39D44 -239.28 6.54 -8.51 -0.31 0
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397899 135030927 1 SO12C47H56 AB12C47D56 -444.51 2.38 -8.93 -0.32 0
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397900 135030928 1 O17C27H42 A17B27C42 -739.4 6.84 -8.33 0.21 0
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397901 135030930 1 NOF3H8C11 ABC3D8E11 -180.92 4.21 -9.46 -1.42 0
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397902 135030932 2 Br2H33C35 A2B33C35 119.14 0.53 -8.92 -0.44 0