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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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163890 74380631 1 N4O7H30C31 A4B7C30D31 -162.2 2.36 -8.48 -0.76 0
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163891 74380632 1 N3O8C25H25 A3B8C25D25 -196.18 3.75 -8.5 -1.14 0
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163892 74380645 1 NO6C16H23 AB6C16D23 -209.73 3.04 -8.81 -0.46 0
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163893 74380649 1 BrSF2N2O4H21C23 ABC2D2E4F21G23 -197.41 7.01 -9.16 -0.98 0
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163895 74380651 1 ClOSF2N4H23C26 ABCD2E4F23G26 -36.46 6.38 -9.06 -0.84 0
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163896 74380654 1 SN2O7C32H42 AB2C7D32E42 -279.53 3.2 -9.47 -0.88 0
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163897 74380656 1 INO4C30H44 ABC4D30E44 -20.44 24.84 -6.23 -1.03 0
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163898 74380661 1 NO11C31H49 AB11C31D49 -485.93 9.6 -10.0 -0.8 0
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163899 74380663 1 NO11C33H51 AB11C33D51 -482.51 7.42 -9.88 -0.9 0
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163900 74380677 1 O2F3N4H27C29 A2B3C4D27E29 -126.39 6.03 -9.21 -1.02 0
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163901 74380687 1 Cl2O3N4C14H20 A2B3C4D14E20 -105.64 7.68 -8.86 -1.12 0
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163902 74380706 1 ClON3C18H24 ABC3D18E24 -48.4 5.23 -9.21 0.46 0
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163903 74380719 1 O8N9C49H57 A8B9C49D57 -265.72 9.51 -8.65 -0.27 0
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163904 74380721 1 O5N9C36H47 A5B9C36D47 -173.03 3.64 -8.99 -0.57 0
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163905 74380724 1 O2N5C26H35 A2B5C26D35 -10.83 4.29 -8.23 0.16 0
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163906 74380725 1 ON5C25H33 AB5C25D33 26.09 6.29 -8.27 -0.05 0
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163907 74380727 1 O2N5C27H37 A2B5C27D37 -17.48 2.99 -8.46 0.21 0
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163908 74380729 1 ClON2C24H25 ABC2D24E25 17.44 5.01 -8.25 0.15 0
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163909 74380733 2 NO5C19H33 AB5C19D33 -460.75 1.88 -7.95 0.7 0
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163910 74380762 1 OSN3C16H17 ABC3D16E17 36.36 5.05 -8.65 -0.61 0
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163911 74380763 1 SO2N4H22C25 AB2C4D22E25 32.76 3.73 -8.61 -1.09 0
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163912 74380764 1 ClON4H23C25 ABC4D23E25 63.33 4.29 -8.8 -0.45 0
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163913 74380766 1 O2N3H19C20 A2B3C19D20 23.48 5.05 -8.75 -0.8 0
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163914 74380791 1 NO4C11H15 AB4C11D15 -141.05 3.4 -10.43 -0.19 0
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163916 74380798 1 BrFO3N4H26C30 ABC3D4E26F30 -38.34 8.46 -9.16 -1.18 0
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163917 74380802 1 ClF2O5C21H23 AB2C5D21E23 -300.22 0.99 -9.49 -0.33 0
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163918 74380803 1 ClF2O6C20H21 AB2C6D20E21 -331.89 3.26 -9.23 -0.26 0
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163919 74380809 1 OSN6C17H24 ABC6D17E24 81.01 4.01 -8.51 -0.99 0
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163920 74380822 1 FCl2O3N4C18H19 AB2C3D4E18F19 -114.86 5.07 -9.29 -1.45 0
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163921 74380834 1 N2F4O8C21H26 A2B4C8D21E26 -506.17 2.98 -9.06 -0.74 0
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163922 74380835 1 N2F5O7C22H27 A2B5C7D22E27 -516.24 5.17 -9.16 -0.74 0
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163923 74380839 1 FSO2N6C23H25 ABC2D6E23F25 -27.26 3.3 -9.21 -1.18 0
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163924 74380844 1 SO13N18C48H84 AB13C18D48E84 -620.67 13.28 -8.97 -0.21 0
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163925 74380853 1 O2N5C27H39 A2B5C27D39 -24.04 3.3 -8.55 0.13 0
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163926 74380854 1 O3N4C25H28 A3B4C25D28 -29.24 3.56 -8.89 -0.27 0
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163927 74380855 1 N2O9C36H64 A2B9C36D64 -418.62 6.17 -8.2 0.94 0
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163928 74380860 1 ClO2N4C24H27 AB2C4D24E27 -70.99 5.85 -8.83 -0.66 0
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163929 74380874 1 N2O9C27H40 A2B9C27D40 -349.25 6.75 -9.27 -1.14 0
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163930 74380892 1 N2O11C34H46 A2B11C34D46 -378.72 2.99 -8.61 -0.39 0
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163932 74380896 2 NO2C6H8 AB2C6D8 -140.93 5.07 -9.11 -0.16 0
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163933 74380904 1 BrO3N5C28H30 AB3C5D28E30 -21.73 4.32 -9.02 -0.92 0
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163934 74380905 1 O2N3F8H25C28 A2B3C8D25E28 -448.75 5.17 -9.28 -1.0 0
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163938 74380983 1 N2O3C27H39 A2B3C27D39 -110.89 4.87 0.0 0.0 0
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163939 74381000 1 BrO3N4C28H29 AB3C4D28E29 -6.58 3.25 -9.08 -0.95 0
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163940 74381001 1 O3N5C30H35 A3B5C30D35 -33.36 2.65 -9.0 -0.55 0
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163941 74381006 1 O2N3F6H23C26 A2B3C6D23E26 -331.63 5.54 -9.11 -0.95 0
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163942 74381017 1 SO6C21H26 AB6C21D26 -246.22 3.4 -8.65 -0.11 0
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163943 74381021 1 SO4N5C17H27 AB4C5D17E27 -89.02 7.47 -8.49 -0.83 0
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163944 74381022 5 NOC4H5 ABC4D5 -41.2 10.65 -8.39 -1.28 0
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163946 74381031 1 Cl2O2F3N7H24C27 A2B2C3D7E24F27 -99.26 5.31 -8.82 -1.15 0
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163947 74381033 1 FOCl2N7H24C26 ABC2D7E24F26 56.55 5.62 -8.79 -1.05 0
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163948 74381034 1 FON3C10H14 ABC3D10E14 -48.86 3.0 -8.73 0.29 0
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163949 74381035 1 ClFON3C10H13 ABCD3E10F13 -56.65 3.89 -8.81 -0.06 0
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163950 74381038 1 FN4O4C24H35 AB4C4D24E35 -174.93 3.93 -8.88 -0.34 0
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163951 74381041 1 NO3H21C22 AB3C21D22 26.07 8.61 -8.74 -0.93 0
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163953 74381044 1 O3N4C23H30 A3B4C23D30 -64.7 10.16 -9.48 -1.62 0
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163954 74381049 1 ClF3O4N6H28C29 AB3C4D6E28F29 -264.73 5.72 -9.16 -1.0 0
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163955 74381050 1 ClF3O4N7H27C28 AB3C4D7E27F28 -256.54 5.71 -9.2 -1.04 0
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163956 74381062 1 FSO2N5C24H26 ABC2D5E24F26 -31.45 5.4 -9.32 -0.83 0
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163957 74381069 1 O7N9C48H55 A7B9C48D55 -217.63 5.92 -8.54 -0.08 0
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163958 74381073 1 O2N6C25H34 A2B6C25D34 -5.02 7.35 -8.52 -0.1 0
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163959 74381074 1 N2O11C42H68 A2B11C42D68 -493.76 4.8 -8.52 -0.08 0
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163960 74381075 1 N2O9C33H58 A2B9C33D58 -427.46 3.01 -8.26 -0.14 0
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163962 74381078 1 SN3O4C27H35 AB3C4D27E35 -60.08 12.72 -7.84 -1.01 1
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163963 74381079 1 SN3O4C27H36 AB3C4D27E36 -75.28 5.45 0.0 0.0 1
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163968 74381121 1 CaN2O5C23H30 AB2C5D23E30 -274.86 4.73 -7.81 0.13 0
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163969 74381122 1 MgN2O5C23H30 AB2C5D23E30 -173.64 6.73 -7.29 -1.04 0
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163970 74381124 1 ClS2N3O4C17H18 AB2C3D4E17F18 -68.67 6.34 -9.52 -1.3 0
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163971 74381127 1 ClS2N4O5C18H19 AB2C4D5E18F19 -111.56 9.36 -9.74 -1.46 0
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163972 74381128 1 ClSN5O5C25H26 ABC5D5E25F26 -81.25 10.1 -9.26 -1.18 0
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163973 74381131 1 BrO3N5C29H32 AB3C5D29E32 -22.49 5.22 -8.87 -0.74 0
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163974 74381135 1 FN3O5C26H28 AB3C5D26E28 -126.98 9.43 -8.69 -1.36 0
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163975 74381139 1 ClO2F3N3H27C28 AB2C3D3E27F28 -168.31 6.23 -8.81 -0.6 0
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163977 74381155 1 O2F3N3H14C16 A2B3C3D14E16 -157.03 5.16 -9.88 -2.18 0
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163978 74381167 1 SO5C21H30 AB5C21D30 -208.44 5.98 -9.23 -0.9 0
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163979 74381191 1 FN30O37C109H169 AB30C37D109E169 -1470.78 10.15 -9.41 -0.22 0
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163980 74381212 1 PN5O11C14H16 AB5C11D14E16 -417.93 4.59 -10.12 -1.66 0
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163981 74381214 1 FSO5H15C21 ABC5D15E21 -152.32 3.73 -9.1 -1.36 0
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163982 74381231 1 ClON4H19C20 ABC4D19E20 30.99 6.07 -9.1 -0.66 0
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163985 74381246 1 ClSN5O5C26H28 ABC5D5E26F28 -92.3 8.82 -9.26 -0.92 0
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163986 74381264 1 ClO2F3N3H21C22 AB2C3D3E21F22 -177.67 9.64 -9.15 -0.88 0
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163987 74381282 2 ON2C8H8 AB2C8D8 70.84 7.43 -9.38 -1.61 0
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163988 74381291 1 FSO2N4H23C27 ABC2D4E23F27 -6.76 5.11 -9.34 -1.14 0
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163989 74381295 1 FSO2N5C24H26 ABC2D5E24F26 -35.0 4.32 -9.36 -1.28 0
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163990 74381296 2 O2C5H9 A2B5C9 -191.04 2.71 -10.55 -0.67 0
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163991 74381297 2 O2C5H9 A2B5C9 -195.33 5.97 -10.67 -0.58 0
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163992 74381298 1 O5N7C39H43 A5B7C39D43 -146.25 10.1 -8.65 -0.75 0
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163993 74381301 1 O5N10C42H50 A5B10C42D50 -128.61 2.7 -8.26 0.09 0
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163994 74381302 1 O5N10C42H50 A5B10C42D50 -137.36 7.43 -8.45 -0.6 0
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163995 74381303 1 O5N10C43H52 A5B10C43D52 -137.78 5.05 -8.04 -0.24 0
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163996 74381307 1 SN2O5C16H18 AB2C5D16E18 -92.65 6.82 -9.02 -1.17 0
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163997 74381318 1 FSN2Cl3O6C16H22 ABC2D3E6F16G22 -334.64 5.24 -9.7 -1.14 1
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163998 74381321 1 FSCl2N2O5C19H28 ABC2D2E5F19G28 -238.78 2.28 0.0 0.0 0
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164000 74381336 1 N3O10C31H45 A3B10C31D45 -407.8 6.52 -8.69 -0.54 0
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164001 74381337 1 N3O10C32H45 A3B10C32D45 -393.35 7.21 -8.62 -0.49 0
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164003 74381340 1 ON6H20C23 AB6C20D23 91.48 7.01 -8.91 -0.99 0
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164004 74381341 1 O3N6H24C25 A3B6C24D25 4.94 3.4 -8.65 -1.02 0
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164005 74381350 1 N3O4C27H35 A3B4C27D35 -90.6 10.5 -8.11 -0.43 0
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164006 74381357 2 O2C7H8 A2B7C8 -133.73 2.41 -8.68 -0.02 0
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164008 74381361 1 N3O8C28H37 A3B8C28D37 -282.96 1.1 -9.35 -1.81 0