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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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432873 135173010 1 SF2O3N9H27C33 AB2C3D9E27F33 27.03 11.73 -8.92 -2.52 0
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432874 135173011 1 FO2N8H27C29 AB2C8D27E29 60.74 5.45 -8.83 -2.54 0
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432875 135173012 1 FOSN8H25C27 ABCD8E25F27 114.86 6.2 -8.68 -2.44 0
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432876 135173013 1 FON10C27H31 ABC10D27E31 95.23 10.31 -7.91 -2.28 0
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432877 135173014 2 O2H33C45 A2B33C45 192.78 4.96 -8.01 -0.78 0
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432878 135173015 1 FO2N8H25C28 AB2C8D25E28 69.65 1.94 -8.76 -2.44 0
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432879 135173016 2 O2C3H3 A2B3C3 -91.83 2.61 -9.18 -0.45 0
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432880 135173017 1 SF2O3N9H27C29 AB2C3D9E27F29 -10.43 6.3 -8.87 -2.49 0
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432881 135173018 2 O2H27C35 A2B27C35 101.03 2.45 -8.42 -0.2 0
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432882 135173019 1 OSF2N8H20C25 ABC2D8E20F25 79.39 5.86 -8.83 -2.47 0
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432883 135173020 1 ON9H25C29 AB9C25D29 228.17 4.92 -7.87 -2.46 0
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432884 135173021 1 NO3H13C14 AB3C13D14 -78.54 5.25 -9.1 -0.56 0
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432885 135173022 1 NSC5H9 ABC5D9 26.1 2.43 -8.71 0.47 0
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432886 135173023 2 ON2C5H6 AB2C5D6 -2.72 4.45 -9.77 -0.3 0
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432887 135173024 1 N4O7C18H24 A4B7C18D24 -297.18 5.24 -9.58 -0.1 0
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432888 135173025 1 ON9H21C26 AB9C21D26 204.72 10.77 -8.8 -2.42 0
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432889 135173026 1 FN9C28H34 AB9C28D34 122.89 3.62 -8.56 -1.97 0
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432890 135173027 2 SH15C21 AB15C21 170.31 2.8 -8.52 -0.41 0
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432891 135173028 2 OH27C39 AB27C39 226.52 1.64 -8.65 -0.35 0
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432892 135173029 2 OH39C57 AB39C57 368.15 1.98 -8.58 -0.41 0
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432893 135173030 2 OH21C30 AB21C30 151.12 0.66 -8.74 -0.24 0
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432894 135173031 2 OH25C36 AB25C36 200.49 1.56 -8.68 -0.29 0
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432895 135173032 1 N4O9C26H30 A4B9C26D30 -356.95 3.03 -9.61 -0.31 0
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432896 135173033 3 NO2C7H11 AB2C7D11 -288.27 3.51 -9.76 -0.25 0
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432897 135173034 1 N3O6C20H29 A3B6C20D29 -267.24 1.19 -9.65 -0.37 0
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432898 135173035 1 OSN2C8H10 ABC2D8E10 20.8 5.03 -9.49 -0.6 0
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432899 135173036 2 NC5H8 AB5C8 17.52 3.76 -8.83 1.2 0
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432900 135173037 1 OSN2C8H10 ABC2D8E10 21.71 3.96 -9.39 -0.45 0
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432901 135173038 1 IO2F3N3H5C12 AB2C3D3E5F12 -74.29 2.53 -9.6 -1.74 0
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432902 135173039 1 N3H31C46 A3B31C46 232.0 2.74 -8.74 -0.89 0
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432903 135173040 3 NH13C16 AB13C16 250.84 4.64 -8.86 -0.8 0
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432904 135173041 1 ON10H28C29 AB10C28D29 185.86 10.35 -7.97 -2.24 0
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432905 135173042 1 F2O8N9C46H57 A2B8C9D46E57 -389.27 12.76 -9.29 -0.92 1
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432906 135173043 1 Cl2N7C19H24 A2B7C19D24 127.2 10.45 0.0 0.0 0
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432907 135173044 1 N6C19H24 A6B19C24 126.09 6.69 -8.17 -1.01 0
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432908 135173045 1 O2N7C22H27 A2B7C22D27 72.48 7.54 -8.33 -1.1 0
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432909 135173046 1 O8C53H70 A8B53C70 -347.13 6.94 -8.33 0.28 0
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432910 135173047 1 ClNOH18C24 ABCD18E24 56.33 1.86 -9.45 -0.31 0
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432911 135173048 1 ClNH16C24 ABC16D24 105.12 2.83 -9.14 -0.79 0
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432912 135173049 1 ClNH18C24 ABC18D24 101.25 1.07 -8.94 -0.71 0
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432913 135173050 1 ClNOH18C24 ABCD18E24 57.78 2.17 -9.29 -0.3 0
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432914 135173051 1 OF2N8H20C26 AB2C8D20E26 80.34 10.28 -8.85 -2.37 0
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432915 135173052 1 O2N3C18H37 A2B3C18D37 -157.05 2.98 -9.63 1.15 0
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432916 135173053 1 ClNOH18C24 ABCD18E24 56.67 3.31 -9.47 -0.29 0
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432917 135173054 1 FON9C35H38 ABC9D35E38 109.08 9.17 -8.12 -1.3 0
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432918 135173055 1 ClNH18C24 ABC18D24 101.31 4.03 -9.06 -0.71 0
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432919 135173056 1 ClNOH18C24 ABCD18E24 57.95 2.42 -9.31 -0.23 0
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432920 135173057 1 ClNH16C24 ABC16D24 105.9 2.28 -9.08 -0.77 0
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432921 135173058 1 FON8H29C30 ABC8D29E30 116.42 3.7 -8.62 -1.56 0
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432922 135173059 1 N3H35C50 A3B35C50 240.18 1.12 -8.73 -1.02 0
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432923 135173060 1 N4H26C39 A4B26C39 224.61 2.36 -8.99 -1.17 0
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432924 135173061 1 O9C26H36 A9B26C36 -347.61 5.02 -9.19 -1.42 0
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432925 135173062 1 OPN2H41C52 ABC2D41E52 160.83 4.76 -8.9 -1.04 0
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432926 135173063 1 PN2H35C51 AB2C35D51 237.86 2.39 -8.48 -1.14 0
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432927 135173064 2 SO2N3C6H6 AB2C3D6E6 -25.99 5.32 -9.18 -1.39 0
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432928 135173065 1 S2O6N7C11H11 A2B6C7D11E11 -127.63 4.36 -9.22 -1.6 0
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432929 135173066 1 SI4O6H38C45 AB4C6D38E45 -86.71 4.09 -8.97 -1.12 0
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432930 135173067 1 SI4O4H30C33 AB4C4D30E33 -57.39 1.78 -8.91 -1.1 0
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432931 135173068 1 SO5N6H12C14 AB5C6D12E14 -85.07 7.01 -9.49 -1.64 0
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432932 135173069 1 O3N6C17H18 A3B6C17D18 -12.42 3.09 -8.91 -1.14 0
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432933 135173070 1 FON9H28C29 ABC9D28E29 132.56 6.72 -8.64 -1.51 0
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432934 135173071 1 ON2C11H22 AB2C11D22 -60.22 5.48 -8.96 0.74 0
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432935 135173072 1 ON9C26H27 AB9C26D27 158.71 8.32 -7.97 -2.2 0
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432936 135173073 1 FON8H25C28 ABC8D25E28 107.76 8.79 -8.84 -2.38 0
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432937 135173074 1 IN2S2C4H7 AB2C2D4E7 63.96 5.99 -8.22 -2.63 0
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432938 135173075 2 ON2C7H12 AB2C7D12 -22.78 4.22 -8.77 -0.29 0
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432939 135173076 1 S2F6O6C17H22 A2B6C6D17E22 -546.63 6.18 -9.5 -1.66 0
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432940 135173077 1 FON8H25C28 ABC8D25E28 107.58 3.45 -8.78 -2.45 0
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432941 135173078 1 NH27C42 AB27C42 184.19 1.79 -8.68 -0.65 0
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432942 135173079 1 FON7H18C23 ABC7D18E23 133.0 5.63 -8.87 -2.01 0
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432943 135173080 1 ON3C9H13 AB3C9D13 16.95 1.15 -8.92 0.69 0
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432944 135173081 1 ON3C9H13 AB3C9D13 17.13 2.47 -8.96 0.58 0
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432945 135173082 1 NOSC9H11 ABCD9E11 13.65 3.56 -9.01 -0.13 0
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432946 135173083 1 NSO2C9H11 ABC2D9E11 -64.54 6.17 -9.41 -0.4 0
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432947 135173084 1 SO2C9H12 AB2C9D12 -74.25 2.11 -8.97 -0.03 0