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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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327983 126691622 1 SN4C14H16 AB4C14D16 103.31 4.23 -7.5 -1.02 -1
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327984 126691628 1 N2S2O9C34H35 A2B2C9D34E35 -270.54 11.44 0.0 0.0 0
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327985 126691631 1 N2S3O12C32H36 A2B3C12D32E36 -364.45 2.33 -8.19 -1.05 0
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327986 126691634 1 N4O5F8H26C31 A4B5C8D26E31 -517.77 7.87 -9.15 -1.47 0
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327987 126691635 1 N3O5F6C35H37 A3B5C6D35E37 -459.54 8.08 -8.63 -1.21 0
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327988 126691636 1 N3O3F6H25C28 A3B3C6D25E28 -357.21 7.35 -8.95 -1.21 0
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327989 126691638 1 N3O4F6H31C33 A3B4C6D31E33 -381.38 7.06 -8.68 -1.44 0
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327990 126691639 1 N3O4C35H41 A3B4C35D41 -81.48 8.96 -8.61 -0.24 1
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327991 126691645 1 PF2N3O5C29H33 AB2C3D5E29F33 -273.77 4.98 0.0 0.0 0
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327992 126691646 1 N3O5F6H33C34 A3B5C6D33E34 -452.96 10.66 -8.73 -1.46 0
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327993 126691653 1 F4N4O5H30C36 A4B4C5D30E36 -280.01 11.99 -9.04 -1.47 0
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327994 126691655 1 FOSH11C14 ABCD11E14 -25.84 4.13 -9.24 -1.09 0
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327995 126691656 1 O3F6N7H29C30 A3B6C7D29E30 -288.33 3.05 -8.75 -1.36 0
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327996 126691660 1 ClFN4H14C17 ABC4D14E17 37.06 4.63 -9.51 -1.29 0
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327997 126691663 3 NF2O2H11C12 AB2C2D11E12 -448.12 9.94 -8.99 -1.22 0
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327998 126691666 1 SN4O5C27H32 AB4C5D27E32 -144.87 14.77 -8.25 -0.43 0
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327999 126691670 1 N3O5F6H33C34 A3B5C6D33E34 -449.06 11.63 -8.67 -1.42 0
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328000 126691671 1 N2O3C19H24 A2B3C19D24 -100.09 5.09 -8.35 -0.06 0
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328001 126691672 2 N2F3O3C16H17 A2B3C3D16E17 -485.7 8.55 -8.76 -1.17 0
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328002 126691682 1 N3O3F6H25C28 A3B3C6D25E28 -356.7 7.18 -8.99 -1.23 0
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328003 126691685 1 F2N3O5C33H37 A2B3C5D33E37 -247.91 6.76 -8.83 -0.38 0
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328004 126691686 1 F2N3O5C33H35 A2B3C5D33E35 -241.45 6.18 -8.62 -0.47 0
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328005 126691687 1 SN2O2C10H18 AB2C2D10E18 -99.95 3.31 -8.37 0.53 0
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328006 126691713 1 O3N4F6C33H34 A3B4C6D33E34 -370.33 6.28 -8.85 -1.22 0
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328007 126691717 1 N5O5F9H28C35 A5B5C9D28E35 -548.69 8.39 -9.28 -1.39 0
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328008 126691719 1 N3O3F6H23C27 A3B3C6D23E27 -340.93 5.92 -9.14 -1.02 0
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328009 126691725 1 N3F4O5C35H37 A3B4C5D35E37 -361.52 10.74 -8.72 -1.19 0
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328010 126691726 2 N3O6C27H43 A3B6C27D43 -382.27 21.26 -6.68 -3.63 0
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328011 126691727 2 N2F3O3H16C18 A2B3C3D16E18 -470.11 9.4 -9.08 -1.44 0
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328012 126691729 2 N3O6C27H43 A3B6C27D43 -376.17 18.4 -8.32 -0.76 0
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328013 126691733 1 N5O5F6H31C35 A5B5C6D31E35 -388.47 7.41 -9.57 -1.55 0
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328014 126691737 1 N9O13C67H97 A9B13C67D97 -407.54 11.28 -8.48 -0.84 0
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328015 126691738 1 N9O13C67H97 A9B13C67D97 -374.31 22.11 -6.65 -2.24 0
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328016 126691742 1 SF3N4O13C68H91 AB3C4D13E68F91 -576.33 15.7 -8.48 -1.18 0
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328017 126691753 1 ClN7O14C71H100 AB7C14D71E100 -484.5 9.88 -8.31 -0.91 0
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328018 126691760 1 N3O4F6C33H33 A3B4C6D33E33 -391.63 4.37 -8.44 -1.31 0
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328019 126691761 1 N3O5F8H27C31 A3B5C8D27E31 -573.54 11.35 -9.31 -1.11 0
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328020 126691762 1 BrFOC11H12 ABCD11E12 -84.98 3.4 -9.6 -0.4 0
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328021 126691764 1 BrFN3C6H9 ABC3D6E9 -17.86 3.45 -8.85 -1.11 0
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328022 126691770 1 FN4O5C29H31 AB4C5D29E31 -155.5 6.74 -8.77 -0.54 0
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328023 126691773 1 N3O5F7H32C37 A3B5C7D32E37 -480.31 7.97 -9.07 -1.35 0
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328024 126691774 1 F3N3O5C34H36 A3B3C5D34E36 -306.09 6.0 -8.36 -0.64 0
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328025 126691779 1 N3O5F8H27C32 A3B5C8D27E32 -522.82 7.25 -9.06 -1.46 0
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328026 126691781 1 N3O5F6H31C32 A3B5C6D31E32 -434.85 3.22 -8.65 -1.15 0
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328027 126691783 1 N3O3F6H29C31 A3B3C6D29E31 -342.27 5.72 -8.62 -1.25 -1
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328028 126691786 1 N2S2O8C32H35 A2B2C8D32E35 -230.53 5.22 0.0 0.0 0
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328029 126691795 1 N4O4C35H42 A4B4C35D42 -118.51 4.46 -8.5 -0.04 0
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328030 126691799 1 N4O5F6H28C31 A4B5C6D28E31 -416.41 9.11 -8.98 -1.4 0
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328031 126691800 1 OSN3C16H25 ABC3D16E25 47.32 4.31 -8.1 -0.25 0
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328032 126691801 1 F2N3O3C29H29 A2B3C3D29E29 -111.25 2.94 -8.56 -0.58 0
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328033 126691805 1 N4O5F6C38H38 A4B5C6D38E38 -446.7 8.99 -8.44 -1.17 0
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328034 126691810 2 N2F3O3H14C15 A2B3C3D14E15 -484.2 5.21 -9.29 -1.45 0
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328035 126691812 1 ClN4O4F6C33H33 AB4C4D6E33F33 -417.68 8.68 -9.51 -1.1 0
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328036 126691813 1 ClO2N4F6H19C25 AB2C4D6E19F25 -298.57 7.05 -9.58 -1.14 0
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328037 126691815 1 ClSO3N5H22C23 ABC3D5E22F23 -29.02 5.79 -8.7 -1.25 0
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328038 126691817 2 N2F3O3H16C18 A2B3C3D16E18 -451.96 11.23 -9.02 -1.43 0
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328039 126691818 1 N3O5F7H26C30 A3B5C7D26E30 -504.84 8.62 -8.84 -1.32 0
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328040 126691819 1 N3O4F6H29C31 A3B4C6D29E31 -401.06 1.84 -8.74 -1.37 0
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328041 126691820 1 N3O3F6H27C29 A3B3C6D27E29 -374.78 7.79 -8.73 -1.31 0
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328042 126691827 1 N3O3C34H41 A3B3C34D41 -69.45 7.45 -8.35 -0.12 0
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328043 126691828 1 ClNOC6H8 ABCD6E8 -14.49 2.35 -9.53 -1.03 0
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328044 126691843 1 N5O5F6H29C36 A5B5C6D29E36 -393.67 7.92 -9.37 -1.51 0
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328045 126691845 1 F3N3O4C34H36 A3B3C4D34E36 -241.56 7.66 -8.47 -0.75 0
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328046 126691851 2 N3O8C36H51 A3B8C36D51 -496.05 18.38 -7.05 -1.96 0
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328047 126691854 1 N7O13C66H91 A7B13C66D91 -352.34 7.12 -6.84 -1.83 0
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328048 126691855 2 N4O7C34H48 A4B7C34D48 -277.65 7.88 -8.34 -1.38 0
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328049 126691869 2 N3O6C27H43 A3B6C27D43 -282.88 24.56 -6.38 -4.32 0
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328050 126691872 2 N3O6C27H43 A3B6C27D43 -376.27 2.27 -8.59 -0.03 0
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328051 126691880 1 N5O5F6H29C36 A5B5C6D29E36 -394.07 7.31 -9.41 -1.51 0
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328052 126691881 1 BrNOC13H18 ABCD13E18 -42.11 3.82 -9.41 -0.39 0
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328053 126691883 1 O3N4F7H29C30 A3B4C7D29E30 -413.4 8.12 -8.92 -1.29 0
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328054 126691884 1 N3O3F6H23C27 A3B3C6D23E27 -341.36 4.59 -8.98 -1.04 0
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328055 126691885 1 N3O5F6C34H35 A3B5C6D34E35 -457.12 6.24 -8.84 -0.96 0
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328056 126691887 1 N3O5F6H31C32 A3B5C6D31E32 -453.82 4.97 -8.68 -1.3 0
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328057 126691888 4 NC6H7 AB6C7 87.72 5.04 -8.11 -0.34 0
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328058 126691889 1 N3O3F6H23C27 A3B3C6D23E27 -341.28 6.35 -9.2 -1.01 0
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328059 126691892 1 O3C23H24 A3B23C24 -84.69 2.61 -8.8 0.05 0
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328060 126691902 1 N2S2O9C32H36 A2B2C9D32E36 -318.09 5.67 -8.05 -0.93 0
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328061 126691914 1 N3O4F6C34H35 A3B4C6D34E35 -386.99 3.98 -8.41 -1.3 0
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328062 126691918 1 F4N4O5H30C36 A4B4C5D30E36 -279.99 9.79 -8.99 -1.45 0
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328063 126691920 1 N3O5F6H31C32 A3B5C6D31E32 -467.79 8.69 -8.76 -1.3 0
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328064 126691925 1 F2O3N5C24H27 A2B3C5D24E27 -121.27 1.74 -8.96 -0.9 0
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328065 126691927 1 F2N3O5C32H33 A2B3C5D32E33 -237.8 9.72 -8.76 -0.65 0
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328066 126691934 1 FN3C34H42 AB3C34D42 145.82 2.63 -7.95 -0.24 0
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328067 126691935 1 N3O3F6C34H35 A3B3C6D34E35 -384.35 3.33 -8.57 -1.3 0
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328068 126691939 1 N5O5F6H29C36 A5B5C6D29E36 -393.71 7.53 -9.36 -1.54 0
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328069 126691941 1 ClOSN3C17H18 ABCD3E17F18 44.69 3.78 -8.34 -0.96 0
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328070 126691946 1 SN4F6O6H30C35 AB4C6D6E30F35 -465.51 15.51 -9.11 -1.0 0
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328071 126691950 1 F3N3O5C36H42 A3B3C5D36E42 -330.19 10.39 -8.41 -0.49 0
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328072 126691951 1 N3O5F6H29C31 A3B5C6D29E31 -451.91 6.12 -8.66 -1.04 0
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328073 126691962 1 F3O3N4H19C24 A3B3C4D19E24 -145.75 2.33 -8.95 -0.89 0
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328074 126691964 1 N3O5F6H31C33 A3B5C6D31E33 -428.31 7.37 -8.58 -1.34 0
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328075 126691965 1 ON2F3H5C9 AB2C3D5E9 -140.32 2.47 -9.95 -1.37 0
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328076 126691971 1 F2N3O5C31H31 A2B3C5D31E31 -213.06 3.29 -9.05 -0.55 0
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328077 126691976 1 N3O3F6C31H31 A3B3C6D31E31 -376.22 9.56 -8.78 -1.14 0
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328078 126691979 1 IF3N3O16C66H89 AB3C3D16E66F89 -616.97 4.69 -8.65 -1.37 0
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328079 126691985 1 N8O15C71H102 A8B15C71D102 -488.56 10.9 -9.0 -1.46 0
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328080 126691988 1 N4O5F7H29C34 A4B5C7D29E34 -430.55 5.47 -8.55 -1.4 0
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328081 126691998 1 F2N3O5H27C29 A2B3C5D27E29 -204.39 2.99 -8.68 -0.65 0
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328082 126692003 1 ON2C11H14 AB2C11D14 -37.3 4.35 -8.36 0.13 0