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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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219868 85164985 1 NS2O8C30H43 AB2C8D30E43 -357.12 5.29 -8.75 -0.3 0
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219869 85164986 1 NSi2F3O4C31H46 AB2C3D4E31F46 -398.27 5.67 -8.58 -0.57 0
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219870 85164987 2 OBr2H9C10 AB2C9D10 8.69 3.0 -9.45 -0.85 0
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219871 85164988 2 NCl4H5C12 AB4C5D12 122.82 1.26 -9.72 -1.27 0
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219872 85164990 1 F3O11C29H29 A3B11C29D29 -577.37 9.62 -9.88 -1.1 0
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219873 85164991 1 FO16C25H35 AB16C25D35 -766.7 4.27 -10.29 0.33 0
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219874 85164993 2 SO4C16H17 AB4C16D17 -243.32 9.95 -9.17 -0.66 0
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219875 85164995 1 N2S2O8C29H42 A2B2C8D29E42 -348.93 4.41 -8.62 -0.55 0
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219876 85164996 2 N2O3C17H25 A2B3C17D25 -266.87 8.26 -8.85 0.05 0
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219877 85164998 1 SiO4C39H50 AB4C39D50 -192.36 1.14 -9.04 -0.5 0
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219878 85165000 1 P2N3Na3O14C16H22 A2B3C3D14E16F22 -861.12 14.99 -8.31 -0.37 0
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219879 85165001 1 ISnC26H53 ABC26D53 -77.14 3.08 -9.03 -0.44 0
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219880 85165002 1 ISi2N3O6C21H40 AB2C3D6E21F40 -419.63 4.3 -8.67 -2.22 0
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219881 85165003 1 S2N3O7C30H35 A2B3C7D30E35 -254.51 8.22 -8.9 -0.82 0
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219882 85165004 1 NO8C35H49 AB8C35D49 -392.66 3.63 -9.01 -0.04 0
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219883 85165005 1 NSSiO6C33H45 ABCD6E33F45 -270.19 6.56 -8.73 -0.69 0
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219884 85165006 1 O6N8C31H40 A6B8C31D40 -139.49 13.96 -9.54 -0.59 0
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219885 85165007 1 PSN2O7C31H37 ABC2D7E31F37 -302.27 6.23 -8.91 -0.6 0
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219886 85165008 1 N6O7C31H44 A6B7C31D44 -296.57 10.18 -8.76 -0.15 0
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219887 85165010 4 O2C9H13 A2B9C13 -312.48 6.2 -8.93 0.02 0
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219888 85165011 1 SiN2O6C34H52 AB2C6D34E52 -320.32 3.88 -9.0 -0.1 0
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219889 85165012 1 Si3O4C34H56 A3B4C34D56 -303.39 1.49 -8.72 0.05 0
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219890 85165013 1 ClPSiN4O5C29H34 ABCD4E5F29G34 -170.51 10.33 -9.04 -1.41 0
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219891 85165014 1 ClFSN2O7C29H38 ABCD2E7F29G38 -303.68 1.38 -8.65 -0.03 0
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219892 85165015 1 CuN5H35C37 AB5C35D37 300.93 8.55 0.0 0.0 0
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219893 85165016 1 CuN5H35C37 AB5C35D37 319.9 4.45 0.0 0.0 2
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219894 85165017 1 FeOSSnC29H42 ABCDE29F42 169.39 4.04 -7.29 -1.26 0
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219895 85165018 1 N3O16C23H39 A3B16C23D39 -735.82 3.81 -10.1 -0.58 0
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219896 85165019 1 N7O11C25H39 A7B11C25D39 -413.72 5.68 -9.51 -0.89 0
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219897 85165020 1 O4N5C37H39 A4B5C37D39 -43.96 1.94 -8.74 -0.53 0
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219898 85165021 1 SN5O7C30H39 AB5C7D30E39 -275.57 7.39 -9.1 -0.36 0
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219899 85165022 1 SSiN3O10C26H39 ABC3D10E26F39 -413.42 5.3 -8.87 -0.88 0
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219900 85165023 1 MnO2N3C36H54 AB2C3D36E54 4.24 2.62 -6.71 -0.68 0
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219901 85165024 1 NSiO9C32H43 ABC9D32E43 -388.1 3.16 -9.24 -0.13 0
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219902 85165025 1 NSiO4C38H51 ABC4D38E51 -168.49 5.64 -8.88 0.06 0
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219903 85165026 1 Si2N3O5C32H51 A2B3C5D32E51 -250.92 3.43 -8.85 -0.2 0
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219904 85165027 1 ClO3N5H28C36 AB3C5D28E36 26.75 3.75 -8.32 -0.78 0
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219905 85165028 1 SBr2N2O4H18C26 AB2C2D4E18F26 -8.94 8.58 -8.89 -1.67 0
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219906 85165029 2 O2N4H15C17 A2B4C15D17 49.63 2.6 -8.92 -1.29 0
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219907 85165030 1 O3H38C44 A3B38C44 48.99 2.14 -9.36 -0.01 0
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219908 85165031 1 SO6C37H42 AB6C37D42 -157.9 2.13 -9.06 0.18 0
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219909 85165032 1 N2O3C41H46 A2B3C41D46 -43.99 5.24 -8.76 -0.43 0
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219910 85165033 1 SiO6C36H58 AB6C36D58 -376.66 5.92 -8.55 0.29 0
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219911 85165034 1 ClO6C35H63 AB6C35D63 -395.18 5.44 -9.63 -0.62 0
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219912 85165035 1 BrO7C32H39 AB7C32D39 -233.46 3.56 -9.26 -0.33 0
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219913 85165036 1 O5N9C31H37 A5B9C31D37 -102.02 4.59 -9.62 -1.5 0
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219914 85165037 1 SN5O7C30H41 AB5C7D30E41 -301.18 5.17 -8.98 -0.81 0
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219915 85165038 1 NO8C35H53 AB8C35D53 -418.43 5.14 -9.8 -0.23 0
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219916 85165039 1 NSiO6C36H45 ABC6D36E45 -244.07 2.6 -8.86 -0.41 0
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219917 85165040 1 SiN3O7C32H49 AB3C7D32E49 -367.53 3.04 -8.89 -0.32 0
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219918 85165041 1 NO5C39H53 AB5C39D53 -202.58 4.59 -9.63 -0.99 0
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219919 85165042 1 PN6O11C24H37 AB6C11D24E37 -558.89 6.45 -9.72 -0.43 0
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219920 85165045 1 O6C39H52 A6B39C52 -229.14 0.54 -9.37 0.02 0
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219921 85165047 1 BrPN2O5C30H38 ABC2D5E30F38 -251.07 18.63 -8.99 -0.54 0
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219922 85165048 1 SiSnO3C30H62 ABC3D30E62 -239.59 2.15 -8.62 0.86 0
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219923 85165049 1 NO10C34H35 AB10C34D35 -348.56 2.46 -9.52 -0.44 0
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219924 85165050 1 N3O6C35H59 A3B6C35D59 -322.4 4.16 -9.32 0.37 0
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219925 85165051 1 ClFN3O8C30H35 ABC3D8E30F35 -383.16 5.04 -9.64 -0.43 0
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219926 85165052 1 ClN5O5C33H36 AB5C5D33E36 -139.95 5.99 -8.77 -0.7 0
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219927 85165053 1 ClNS3O8C26H32 ABC3D8E26F32 -94.49 11.64 -8.46 -2.42 1
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219928 85165054 1 NS3O4C26H32 AB3C4D26E32 -90.78 3.59 0.0 0.0 0
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219929 85165055 1 FSN2Cl4O6H13C24 ABC2D4E6F13G24 -221.85 7.27 -9.12 -1.97 0
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219930 85165056 1 PN4O14C23H35 AB4C14D23E35 -680.63 7.73 -10.02 -0.34 0
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219931 85165057 1 N2F3O7C32H37 A2B3C7D32E37 -385.25 3.76 -8.85 -1.25 0
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219932 85165059 1 PO8C33H63 AB8C33D63 -542.64 2.9 -10.8 0.43 0
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219933 85165060 1 SiN2O6C35H46 AB2C6D35E46 -259.96 4.55 -8.63 0.1 0
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219934 85165062 1 BrN2S2O6C27H29 AB2C2D6E27F29 -191.72 5.39 -8.77 -0.85 0
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219935 85165063 2 ClNO2C17H24 ABC2D17E24 -240.83 4.9 -9.24 -0.52 0
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219936 85165064 1 BrSi2O8C26H43 AB2C8D26E43 -477.69 1.85 -8.8 -0.72 0
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219937 85165065 1 SN9O9C23H41 AB9C9D23E41 -426.62 7.08 -9.1 -0.51 0
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219938 85165066 1 F2O4N5C34H39 A2B4C5D34E39 -220.34 5.11 -8.62 -0.22 0
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219939 85165067 1 NO8C36H45 AB8C36D45 -329.98 2.76 -8.55 -0.06 0
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219940 85165068 1 SiN3O5C34H61 AB3C5D34E61 -341.29 4.18 -9.17 0.14 0
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219941 85165069 1 BrNSO8C28H30 ABCD8E28F30 -161.86 7.31 -8.58 -1.21 0
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219942 85165070 1 O17C26H36 A17B26C36 -770.74 8.66 -10.29 0.28 0