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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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173888 75693773 1 SO3N5C20H22 AB3C5D20E22 -10.78 3.9 0.0 0.0 1
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173889 75693945 1 N4O7C19H23 A4B7C19D23 -236.94 2.8 0.0 0.0 1
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173890 75693956 1 O4N5H16C20 A4B5C16D20 -7.29 2.95 0.0 0.0 1
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173891 75694092 1 O2N6C14H15 A2B6C14D15 27.41 8.73 0.0 0.0 0
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173892 75694180 1 N3O4C11H17 A3B4C11D17 -175.47 5.38 -9.54 0.28 -1
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173893 75694356 1 ClNSO8C22H23 ABCD8E22F23 -268.95 4.62 0.0 0.0 -1
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173894 75694357 1 NO9C26H26 AB9C26D26 -285.2 3.83 0.0 0.0 -1
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173895 75694358 1 NO9C26H26 AB9C26D26 -286.03 3.43 0.0 0.0 -1
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173896 75694453 1 SN4O5C26H27 AB4C5D26E27 -110.28 10.15 0.0 0.0 1
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173897 75694824 1 N4O4C25H39 A4B4C25D39 -147.77 5.97 0.0 0.0 -1
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173898 75695353 1 N2O6C26H37 A2B6C26D37 -243.86 5.78 0.0 0.0 1
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173899 75695707 1 O3N5C20H24 A3B5C20D24 30.69 4.79 0.0 0.0 1
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173900 75695904 3 ON2C8H9 AB2C8D9 31.82 5.11 0.0 0.0 1
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173901 75696262 1 O2N4C19H29 A2B4C19D29 -33.22 4.19 0.0 0.0 1
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173902 75696452 1 ON5C25H34 AB5C25D34 66.0 7.68 0.0 0.0 1
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173903 75696453 1 ON6C28H37 AB6C28D37 86.8 5.7 0.0 0.0 1
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173904 75696474 1 O2N5C26H40 A2B5C26D40 -0.72 11.87 0.0 0.0 1
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173905 75696490 1 ON5C27H42 AB5C27D42 38.29 6.9 0.0 0.0 -1
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173906 75696829 1 ClN3O4C25H29 AB3C4D25E29 -149.11 5.9 0.0 0.0 -1
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173907 75696830 1 ClN3O5C23H25 AB3C5D23E25 -142.96 12.39 0.0 0.0 1
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173908 75696964 1 N3C12H16 A3B12C16 70.32 7.44 0.0 0.0 -1
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173909 75696983 1 Br2N3O7C14H16 A2B3C7D14E16 -276.58 5.1 0.0 0.0 1
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173910 75696984 1 N2O2C21H25 A2B2C21D25 -16.02 2.68 0.0 0.0 1
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173911 75696985 1 ON3C20H24 AB3C20D24 40.16 5.12 0.0 0.0 1
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173912 75696986 1 N2O3C21H25 A2B3C21D25 -56.65 3.23 0.0 0.0 1
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173913 75697192 1 ON4C10H19 AB4C10D19 11.81 6.11 0.0 0.0 1
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173914 75697219 1 NO2C11H22 AB2C11D22 -99.92 4.64 0.0 0.0 1
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173915 75697220 1 NO2C12H24 AB2C12D24 -101.18 2.63 0.0 0.0 -1
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173916 75697446 1 SO2N3H12C13 AB2C3D12E13 34.16 3.36 0.0 0.0 1
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173917 75697636 1 F3O3N6C23H30 A3B3C6D23E30 -205.03 4.84 0.0 0.0 1
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173918 75697647 1 SCl2N2O2C17H19 AB2C2D2E17F19 -22.97 5.83 0.0 0.0 0
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173919 75698152 1 ClN2O2F3C28H36 AB2C2D3E28F36 -264.16 5.1 -9.39 -0.74 0
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173920 75699761 1 ClN2O5C26H27 AB2C5D26E27 -157.25 3.83 -8.62 -0.61 0
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173921 75700186 1 ClN2O2C30H33 AB2C2D30E33 -49.92 1.02 -9.26 -0.24 0
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173922 75700424 2 ClNOC12H18 ABCD12E18 -138.01 3.73 -9.4 -0.52 0
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173923 75700721 1 F3N3O4C28H32 A3B3C4D28E32 -240.81 6.74 -9.83 -1.81 0
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173924 75700736 1 N3O5C30H35 A3B5C30D35 -96.21 7.96 -8.58 -1.31 0
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173925 75701622 1 N3O4C28H35 A3B4C28D35 -88.24 7.74 -9.77 -1.27 0
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173926 75701636 1 N2O3C29H38 A2B3C29D38 -118.14 2.64 -8.67 0.05 0
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173927 75701795 2 NO2C12H17 AB2C12D17 -171.5 1.76 -8.94 -0.32 0
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173928 75701857 1 N2O2C27H42 A2B2C27D42 -128.02 5.94 -9.09 0.18 0
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173929 75701858 1 N2O2C29H48 A2B2C29D48 -147.19 3.22 -9.22 0.24 0
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173930 75701859 1 N2O2C25H40 A2B2C25D40 -120.84 3.12 -9.21 0.3 0
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173931 75702246 3 NOC10H15 ABC10D15 -129.81 3.88 -8.16 0.16 0
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173932 75702602 1 N3O3C32H43 A3B3C32D43 -93.32 5.23 -8.15 0.08 0
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173933 75702632 1 N2O3C31H42 A2B3C31D42 -107.91 5.22 -9.26 -0.07 0
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173934 75702787 1 N2O5C29H38 A2B5C29D38 -188.36 1.61 -8.78 -0.2 0
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173935 75702788 1 N2O5C31H44 A2B5C31D44 -208.08 0.79 -8.8 -0.23 0
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173936 75702789 1 N2O5C27H36 A2B5C27D36 -183.37 2.85 -8.78 -0.14 0
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173937 75703008 1 N2O5C31H48 A2B5C31D48 -215.19 6.53 -8.59 -0.12 0