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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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143839 53267525 1 BrClNO3C19H19 ABCD3E19F19 -73.77 5.64 -8.52 -0.68 0
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143840 53267598 1 BrFNO2C17H17 ABCD2E17F17 -93.62 4.14 -9.07 -0.64 0
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143841 53268329 1 BrNO3C22H28 ABC3D22E28 -114.31 0.89 -8.32 -0.18 0
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143842 53268330 1 NBr2O2H17C19 AB2C2D17E19 -26.45 2.0 -8.95 -1.28 0
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143843 53268331 1 BrNO3C21H26 ABC3D21E26 -110.52 2.93 -8.75 -0.14 0
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143844 53268586 1 BrClSN2O3H18C26 ABCD2E3F18G26 -5.37 3.65 -8.87 -1.4 0
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143845 53268645 1 BrSN2O3C19H19 ABC2D3E19F19 -70.54 8.47 -8.21 -1.64 0
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143846 53268703 1 SN2O2H18C25 AB2C2D18E25 38.78 4.39 -8.69 -1.5 0
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143847 53269076 1 OSCl2N2H18C20 ABC2D2E18F20 8.76 3.31 -9.03 -1.26 0
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143848 53269414 1 N2O2C17H22 A2B2C17D22 -57.5 2.87 -9.1 -0.84 0
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143849 53269415 1 ON3H11C12 AB3C11D12 27.97 4.95 -9.0 -1.15 0
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143850 53269531 1 ClN2O2H11C13 AB2C2D11E13 22.7 6.08 -8.91 -1.34 0
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143851 53269532 1 ClN2O2H13C14 AB2C2D13E14 15.72 5.53 -9.07 -1.31 0
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143852 53269533 1 NSCl2O3C13H15 ABC2D3E13F15 -112.57 4.29 -9.6 -1.7 0
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143853 53269661 1 ClON2H11C15 ABC2D11E15 31.95 4.08 -9.5 -0.96 0
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143854 53269662 1 ClON2C11H11 ABC2D11E11 -8.0 2.77 -9.4 -0.89 0
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143855 53270667 1 N2O3H5F7C14 A2B3C5D7E14 -394.34 7.7 -10.18 -1.88 0
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143856 53270869 1 NO4H19C20 AB4C19D20 -111.19 7.65 -9.04 -0.83 0
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143857 53271029 1 N3O4C11H13 A3B4C11D13 -121.23 5.88 -9.96 -1.64 0
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143858 53271030 1 SN3O3H9C11 AB3C3D9E11 -39.85 6.25 -9.24 -1.79 0
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143859 53271031 1 SN3O3H17C22 AB3C3D17E22 -13.3 6.15 -9.58 -1.63 0
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143860 53271032 1 SN3O3C20H21 AB3C3D20E21 -60.24 7.5 -9.45 -1.66 0
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143861 53271033 1 ClN3O3C18H18 AB3C3D18E18 -73.88 6.81 -9.34 -1.4 0
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143862 53271274 1 NS2O3C13H13 AB2C3D13E13 -68.16 5.26 -8.51 -1.05 0
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143863 53271946 1 SN2O2C16H20 AB2C2D16E20 -6.44 3.51 -8.47 -0.82 0
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143864 53272118 1 FSCl2N2H13C17 ABC2D2E13F17 17.22 3.54 -9.5 -0.9 0
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143865 53272189 1 OSN2C17H22 ABC2D17E22 -4.76 3.62 -8.76 -0.66 0
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143866 53272945 1 BrSN2C17H21 ABC2D17E21 34.55 3.28 -9.2 -0.88 0
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143867 53273130 1 SN2O4C21H24 AB2C4D21E24 -71.03 7.43 -8.13 -0.65 0
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143868 53273131 1 SN2O4C22H26 AB2C4D22E26 -76.38 4.74 -8.05 -0.43 0
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143869 53273336 1 BrSN2O3C17H17 ABC2D3E17F17 -18.71 1.72 -8.3 -1.26 0
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143870 53273395 1 OSN3C19H21 ABC3D19E21 36.35 4.42 -8.72 -1.05 0
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143871 53274196 1 O2N3C14H17 A2B3C14D17 9.86 6.84 -9.11 -1.24 0
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143872 53274328 1 Cl2N2H16C17 A2B2C16D17 40.02 2.35 -8.54 -0.45 0
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143873 53274329 1 ClN3C11H12 AB3C11D12 56.88 3.58 -9.08 -0.54 0
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143874 53274394 1 O2N3C14H19 A2B3C14D19 0.11 9.65 -8.83 -1.08 1
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143875 53274395 1 O2N3C14H20 A2B3C14D20 -11.08 5.77 0.0 0.0 0
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143876 53274396 1 FN2C17H17 AB2C17D17 12.7 3.19 -8.38 -0.04 0
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143877 53274409 2 ON2C8H8 AB2C8D8 47.81 5.19 -9.16 -1.26 1
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143878 53274410 1 O2N4C16H17 A2B4C16D17 45.4 10.32 0.0 0.0 0
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143879 53274411 1 ClN2C17H17 AB2C17D17 49.54 1.39 -8.44 -0.04 0
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143880 53274412 1 Cl2N2H16C17 A2B2C16D17 40.22 3.02 -8.52 -0.4 0
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143881 53274413 1 ClN2C17H17 AB2C17D17 48.93 1.57 -8.49 -0.08 0
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143882 53274414 1 ClN2H15C16 AB2C15D16 55.95 1.65 -8.43 -0.06 1
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143883 53274492 1 Cl2N3O3C18H18 A2B3C3D18E18 -25.71 5.17 0.0 0.0 0
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143884 53274493 1 N3O4C19H21 A3B4C19D21 -36.24 9.1 -8.83 -1.09 0
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143885 53274735 1 ClO2N4C7H11 AB2C4D7E11 9.86 5.86 -9.12 -1.26 1
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143886 53274763 1 O3N4C15H21 A3B4C15D21 -25.69 6.78 0.0 0.0 0
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143887 53274764 2 N2O2C8H11 A2B2C8D11 -53.09 3.99 -8.44 -0.87 0
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143888 53274978 1 NSC12H19 ABC12D19 2.33 1.83 -8.76 0.06 1
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143889 53275289 1 SN4O5H17C19 AB4C5D17E19 9.37 4.14 0.0 0.0 0
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143890 53275512 1 N3O3C13H13 A3B3C13D13 -1.88 9.39 -9.32 -1.28 0
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143891 53275731 1 NOSC8H9 ABCD8E9 4.66 2.16 -9.09 -0.27 0
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143892 53276037 1 N3C15H25 A3B15C25 11.87 1.68 -8.36 0.36 0
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143893 53276429 2 NOC8H10 ABC8D10 -68.38 1.31 -8.65 -0.19 0
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143894 53276628 1 N2O3H22C27 A2B3C22D27 -43.68 6.44 -8.44 -0.67 0
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143895 53276735 1 N2O3C20H22 A2B3C20D22 -106.14 1.66 -8.56 0.1 0
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143896 53277225 1 SN2O5H16C18 AB2C5D16E18 -134.02 3.04 -9.59 -1.74 1
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143897 53277397 1 SO3N4H17C19 AB3C4D17E19 28.72 4.63 0.0 0.0 0
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143898 53278760 1 NO3C19H21 AB3C19D21 -70.24 4.1 -8.77 -0.4 0
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143899 53278761 1 SN3O4C18H23 AB3C4D18E23 -118.67 10.03 -8.92 -0.36 0
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143900 53278762 1 SN2O5C17H26 AB2C5D17E26 -200.33 5.01 -8.81 0.0 0
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143901 53278763 1 SN4O4C23H30 AB4C4D23E30 -111.52 5.82 -7.99 -0.81 0
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143902 53279647 1 NSO2C18H21 ABC2D18E21 -54.1 3.39 -8.82 -0.18 0
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143903 53279648 1 NSO2C18H21 ABC2D18E21 -53.78 2.65 -8.64 -0.19 0
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143904 53279649 1 SN2O2C20H24 AB2C2D20E24 -30.09 4.98 -8.36 -0.21 0
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143905 53279650 1 OSN3C15H15 ABC3D15E15 11.61 2.84 -8.72 -0.68 0
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143906 53279814 1 NSO3C18H23 ABC3D18E23 -107.6 5.89 -8.86 -0.19 0
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143907 53279963 1 SN2O3C21H28 AB2C3D21E28 -115.78 7.0 -8.93 -0.77 0
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143908 53281101 1 SN2O3C23H32 AB2C3D23E32 -136.95 5.96 -8.71 0.14 0
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143909 53281330 1 FSCl2N2O3H17C21 ABC2D2E3F17G21 -105.76 3.96 -9.57 -0.85 0
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143910 53281331 1 NO2H19C22 AB2C19D22 -8.07 3.61 -8.63 -1.14 0
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143911 53281350 1 SCl2N2O4C18H20 AB2C2D4E18F20 -143.43 9.03 -9.06 -0.43 0
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143912 53281873 1 FSN3O3C13H20 ABC3D3E13F20 -159.14 5.93 -9.13 -0.69 0
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143913 53282216 1 SN2O4C18H22 AB2C4D18E22 -126.87 6.5 -9.0 -0.45 0
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143914 53282217 1 SN2O6C15H22 AB2C6D15E22 -219.53 5.07 -8.74 -0.26 0
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143915 53282284 1 SN2O4C24H32 AB2C4D24E32 -155.04 3.84 -8.94 -0.66 0
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143916 53282302 1 ClNO3C19H22 ABC3D19E22 -107.87 2.28 -8.87 -0.2 0
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143917 53282685 1 FSCl2N2O3H17C21 ABC2D2E3F17G21 -116.36 7.46 -8.96 -0.96 0
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143918 53282686 1 Cl2N2S2O3C21H26 A2B2C2D3E21F26 -121.73 7.79 -8.76 -0.64 0
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143919 53282687 1 SCl2N2O4C24H24 AB2C2D4E24F24 -121.06 1.36 -8.35 -0.69 0
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143920 53282688 1 SCl2N3O3C21H25 AB2C3D3E21F25 -104.4 3.87 -8.85 -0.73 0
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143921 53282689 1 ClSN2O3C24H25 ABC2D3E24F25 -81.4 2.6 -8.72 -0.78 0
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143922 53282707 1 FSN2O4C25H27 ABC2D4E25F27 -159.92 6.72 -8.81 -0.53 0
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143923 53282792 1 SN2O5C22H28 AB2C5D22E28 -173.32 8.01 -8.9 -0.62 0
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143924 53282810 1 SCl2N2O3C23H26 AB2C2D3E23F26 -118.41 4.76 -9.49 -0.61 0
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143925 53282811 1 FSCl2N2O3C21H23 ABC2D2E3F21G23 -155.84 7.25 -9.41 -0.78 0
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143926 53283319 1 FSN3O3C17H20 ABC3D3E17F20 -118.27 5.31 -9.08 -0.64 0
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143927 53283320 1 FSN3O3C25H28 ABC3D3E25F28 -101.0 1.79 -8.62 -0.65 0
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143928 53283321 1 FSN3O4C23H24 ABC3D4E23F24 -126.45 5.95 -8.76 -0.63 0
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143929 53283355 1 SO3N4C15H24 AB3C4D15E24 -91.16 7.98 -8.61 -0.57 0
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143930 53283356 1 SN4O4C17H20 AB4C4D17E20 -109.2 7.53 -8.98 -0.82 0
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143931 53283555 1 FSN3O4C19H24 ABC3D4E19F24 -164.74 4.54 -8.58 -0.23 0
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143932 53283695 1 ClSN2O4C16H17 ABC2D4E16F17 -130.68 6.19 -8.93 -0.51 0
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143933 53283952 1 NSO2C20H25 ABC2D20E25 -56.47 4.65 -8.9 -0.37 0
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143934 53283965 1 NSO3C22H23 ABC3D22E23 -52.84 5.19 -9.03 -0.5 0
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143935 53284277 1 ClNO3C19H22 ABC3D19E22 -107.54 2.94 -8.5 -0.28 0
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143936 53284278 1 FNO2C17H26 ABC2D17E26 -151.56 2.34 -9.21 -0.37 0
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143937 53284279 1 NF2O2C17H17 AB2C2D17E17 -140.87 2.45 -9.24 -0.35 0
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143938 53284280 1 FNO3C18H20 ABC3D18E20 -132.39 2.35 -8.99 -0.33 0