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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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395826 135026652 1 N3O5H11C14 A3B5C11D14 -78.51 9.84 -9.87 -1.0 0
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395827 135026661 1 N2C23H26 A2B23C26 55.28 2.25 -8.43 0.33 0
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395828 135026664 1 FO5H27C29 AB5C27D29 -181.6 4.32 -9.71 -0.96 0
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395830 135026667 1 NO2H23C27 AB2C23D27 31.05 3.87 -8.35 -0.4 0
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395831 135026669 1 OH18C24 AB18C24 54.92 1.49 -8.17 -0.75 0
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395832 135026670 1 ON3H29C35 AB3C29D35 110.14 2.48 -8.26 -0.86 0
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395833 135026671 1 NC28H29 AB28C29 100.09 1.41 -8.89 -0.2 0
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395834 135026672 1 NO4C19H21 AB4C19D21 -97.27 5.18 -9.69 -0.26 0
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395835 135026673 1 N2O6C27H28 A2B6C27D28 -161.52 0.86 -8.67 0.03 0
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395836 135026674 1 SN2O5C27H28 AB2C5D27E28 -122.44 2.18 -8.58 -0.22 0
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395837 135026675 1 ClN2O4H27C28 AB2C4D27E28 -97.23 2.22 -8.9 -0.39 0
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395838 135026676 1 N2O4C29H30 A2B4C29D30 -91.36 1.56 -8.66 0.02 0
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395839 135026677 1 N3O5C26H29 A3B5C26D29 -76.45 8.34 -9.09 -0.92 0
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395840 135026678 1 N3O4C26H29 A3B4C26D29 -48.13 9.38 -9.2 -1.01 0
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395841 135026679 1 N3O4C23H23 A3B4C23D23 -30.4 11.05 -9.01 -0.82 0
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395842 135026680 1 N2O3C24H26 A2B3C24D26 -60.06 3.47 -8.05 0.04 0
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395843 135026681 1 NC24H25 AB24C25 81.7 1.07 -8.84 0.06 0
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395844 135026683 1 NH19C20 AB19C20 43.73 2.1 -8.84 -0.4 0
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395845 135026684 2 NO2C7H11 AB2C7D11 -201.66 2.64 -9.49 -0.49 0
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395846 135026687 1 NO5C31H31 AB5C31D31 -141.92 7.07 -8.69 -0.13 0
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395847 135026689 1 NO5C21H27 AB5C21D27 -208.16 5.43 -8.64 -0.13 0
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395848 135026698 2 O2N3C12H14 A2B3C12D14 -11.63 1.81 -8.3 -1.11 0
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395849 135026699 1 ClO2N6C22H23 AB2C6D22E23 51.31 2.52 -8.75 -1.3 0
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395850 135026707 1 N2O8C17H32 A2B8C17D32 -374.21 6.84 -9.74 1.1 0
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395851 135026710 1 O2N3C24H27 A2B3C24D27 -23.56 3.94 -9.44 -0.86 0
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395852 135026720 2 NO3H9C11 AB3C9D11 -82.64 5.19 -8.75 -1.71 -2
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395853 135026723 4 C5H6 A5B6 122.88 4.41 -6.19 -3.25 0
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395854 135026730 1 SO2N3C15H15 AB2C3D15E15 -47.2 2.54 -8.76 -0.44 0
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395855 135026731 1 NO7C20H29 AB7C20D29 -315.99 2.72 -9.67 -0.06 0
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395856 135026732 1 N2O6C19H24 A2B6C19D24 -231.28 1.63 -9.82 -0.4 0
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395857 135026733 2 NO3C13H16 AB3C13D16 -218.05 1.62 -8.72 -0.02 0
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395858 135026736 1 NH19C20 AB19C20 47.57 3.2 -8.76 -0.4 1
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395859 135026737 1 OC15H17 AB15C17 -2.59 1.36 0.0 0.0 0
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395860 135026738 1 SO5C14H18 AB5C14D18 -180.89 6.96 -8.75 -0.84 0
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395861 135026741 2 O2H14C15 A2B14C15 6.07 4.15 -9.06 -1.32 0
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395862 135026747 1 NO3C17H25 AB3C17D25 -140.47 9.8 -8.61 -0.41 0
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395863 135026750 1 OSSnF2C36H52 ABCD2E36F52 -128.76 2.52 -9.1 -0.33 0
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395864 135026754 1 ClO2N6C22H23 AB2C6D22E23 51.58 2.28 -8.78 -1.3 0
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395865 135026760 1 NO5C21H21 AB5C21D21 -152.16 1.33 -8.76 -0.83 0
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395866 135026769 1 OSiC18H20 ABC18D20 -20.0 2.11 -8.28 -0.01 0
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395867 135026771 1 SN2O2C23H26 AB2C2D23E26 -40.69 1.51 -8.82 -0.51 0
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395869 135026779 1 SN2F3O5C28H33 AB2C3D5E28F33 -335.41 3.25 -8.64 -0.8 0
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395871 135026806 1 BrN2O4C17H19 AB2C4D17E19 -149.05 3.06 -9.8 -0.61 0
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395872 135026809 1 BrSiN2O5C31H35 ABC2D5E31F35 -205.94 2.8 -8.93 -0.67 0
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395873 135026812 2 O2C9H11 A2B9C11 -139.18 4.84 -9.58 -1.01 1
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395874 135026818 1 N3O5C18H22 A3B5C18D22 -113.71 6.53 0.0 0.0 0
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395875 135026819 4 OC3H3 AB3C3 -137.36 2.27 -9.5 -0.79 0
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395876 135026820 1 BrNOC12H16 ABCD12E16 -42.14 4.0 -9.88 -0.56 0
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395877 135026821 2 ON3C13H13 AB3C13D13 78.62 1.96 -8.63 -1.15 -1
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395878 135026822 1 O3N4C30H31 A3B4C30D31 63.17 8.48 0.0 0.0 0
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395879 135026823 1 O3N4C30H32 A3B4C30D32 42.78 1.48 -8.66 -0.82 -1
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395880 135026824 1 SN4C26H29 AB4C26D29 124.79 5.37 0.0 0.0 0
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395881 135026825 1 SN4C26H30 AB4C26D30 111.14 5.7 -8.44 -0.61 0
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395882 135026826 2 ON2C15H15 AB2C15D15 71.66 7.16 -8.1 -0.89 0
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395883 135026827 1 NSiO4C39H47 ABC4D39E47 -79.41 2.93 -8.86 -0.14 0
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395884 135026828 1 FNSeH8C13 ABCD8E13 26.83 2.13 -9.05 -1.12 0
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395885 135026829 1 SO2N4C11H12 AB2C4D11E12 19.31 6.73 -9.08 -1.01 0
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395886 135026830 1 N3O4C22H25 A3B4C22D25 -46.11 6.85 -7.77 -0.78 0
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395887 135026831 2 NO2C8H11 AB2C8D11 -144.08 4.61 -8.91 -0.81 0
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395888 135026832 1 N3O3C19H19 A3B3C19D19 -50.41 4.25 -8.3 -0.67 0
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395889 135026835 2 NSiO4C14H21 ABC4D14E21 -467.54 6.5 -9.14 -0.67 0
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395890 135026837 1 O2C13H16 A2B13C16 -73.8 1.86 -9.66 -0.52 0
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395891 135026838 1 N2O3C25H32 A2B3C25D32 -96.02 5.15 -8.72 0.21 0
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395892 135026841 1 SiO2C17H26 AB2C17D26 -105.85 4.02 -8.68 0.18 1
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395893 135026850 1 PSN3O3C14H18 ABC3D3E14F18 -64.5 4.15 -7.91 -0.33 0
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395894 135026851 1 PSN3O3C14H16 ABC3D3E14F16 -85.59 4.74 -9.12 -1.15 0
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395895 135026852 1 N2S5O14C43H62 A2B5C14D43E62 -252.24 7.39 -8.06 -2.01 0
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395896 135026853 1 N4S4O21C59H80 A4B4C21D59E80 -556.04 1.02 -8.5 -1.66 0
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395897 135026855 1 FNO3C24H44 ABC3D24E44 -254.65 2.93 -10.04 0.42 0
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395898 135026856 1 FNO3C27H42 ABC3D27E42 -209.86 3.17 -9.86 -0.24 0
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395899 135026857 1 FNSiO4C38H58 ABCD4E38F58 -286.32 2.51 -9.01 0.05 0
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395900 135026858 1 N2O2F3H11C13 A2B2C3D11E13 -219.64 3.37 -9.88 -1.35 0
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395901 135026859 1 O3N7H17C18 A3B7C17D18 40.85 7.14 -8.83 -0.91 0
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395902 135026860 1 O3N7H15C17 A3B7C15D17 36.53 8.37 -8.97 -0.97 0
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395903 135026861 1 OCl2N3H15C20 AB2C3D15E20 25.91 6.08 -8.84 -0.45 0
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395904 135026862 1 O4N8H14C21 A4B8C14D21 108.93 9.99 -9.23 -1.62 0
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395905 135026863 1 NO3C22H25 AB3C22D25 -51.58 2.86 -9.08 -0.14 0
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395906 135026864 1 NO4C22H25 AB4C22D25 -83.02 3.75 -8.75 -0.14 0
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395907 135026865 1 NO3C21H23 AB3C21D23 -42.82 2.85 -9.11 -0.08 0
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395908 135026866 1 NO3H23C25 AB3C23D25 -4.89 3.21 -9.27 -0.25 0
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395909 135026867 1 NO3C19H27 AB3C19D27 -92.29 3.55 -8.92 -0.01 0
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395911 135026869 1 ClSO2H11C16 ABC2D11E16 -30.12 1.05 -8.8 -1.37 0
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395912 135026870 1 SO4H14C17 AB4C14D17 -85.05 5.46 -9.72 -0.86 -1
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395913 135026871 1 OF2H11C16 AB2C11D16 -44.46 2.54 0.0 0.0 0
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395914 135026876 1 OSSiN3F6C24H37 ABCD3E6F24G37 -425.3 7.61 -8.85 -1.15 0
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395915 135026885 2 NO2C9H9 AB2C9D9 -26.02 3.48 -9.67 -0.51 0
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395916 135026889 1 NO2C14H19 AB2C14D19 -46.88 3.15 -8.78 0.2 0
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395917 135026892 1 SN5H19C27 AB5C19D27 205.84 6.78 -9.09 -0.97 -1
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395919 135026896 1 NS2O6C28H33 AB2C6D28E33 -194.26 11.45 -8.59 -0.83 0
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395920 135026899 1 NO5H27C30 AB5C27D30 -124.34 4.32 -8.19 -0.74 0
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395921 135026900 1 ISiO4C25H31 ABC4D25E31 -177.66 2.11 -8.7 -0.82 0
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395922 135026903 1 N4O6H24C27 A4B6C24D27 -62.96 6.69 -9.02 -1.44 0
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395923 135026904 1 BrClO2N3H25C31 ABC2D3E25F31 11.67 1.97 -8.75 -0.83 0
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395924 135026905 2 NC10H21 AB10C21 -67.05 1.85 -8.16 2.85 0
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395925 135026915 1 NO3C20H29 AB3C20D29 -132.78 3.73 -9.04 0.36 0
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395926 135026919 1 NO7C17H25 AB7C17D25 -294.95 2.44 -8.85 0.21 0
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395927 135026929 1 ClO4C25H27 AB4C25D27 -148.35 2.89 -9.65 -0.4 0
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395928 135026932 1 NBr2O2C16H21 AB2C2D16E21 -71.32 5.16 -9.25 -0.7 0
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395929 135026936 1 INOC21H24 ABCD21E24 8.14 3.87 -9.08 -0.76 0
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395930 135026946 2 O2C9H13 A2B9C13 -180.55 4.35 -9.51 0.25 0