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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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162859 57578131 2 NSO3C32H32 ABC3D32E32 -77.88 8.55 -7.84 -1.87 0
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162860 57578134 1 SN2O2H36C46 AB2C2D36E46 127.48 5.89 -7.95 -1.73 0
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162861 57578136 1 SN2O2C59H60 AB2C2D59E60 52.01 8.06 -7.95 -2.02 0
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162862 57578138 1 O2N3H7C10 A2B3C7D10 19.03 4.21 -9.51 -1.69 0
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162863 57578139 1 Cl2O2N4H6C11 A2B2C4D6E11 35.45 2.9 -9.78 -2.3 0
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162864 57578141 1 NC48H55 AB48C55 48.13 1.26 -7.78 -0.41 0
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162865 57578142 1 NOSC53H57 ABCD53E57 46.4 4.91 -7.96 -1.16 0
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162868 57578147 1 NSC52H57 ABC52D57 77.0 1.42 -7.86 -0.59 0
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162869 57578149 1 NSC68H89 ABC68D89 0.13 1.2 -7.84 -0.51 1
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162871 57578176 1 SN3O3C63H63 AB3C3D63E63 38.7 5.44 -7.95 -1.95 0
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162872 57578179 1 NOSH33C41 ABCD33E41 102.21 4.97 -7.98 -1.17 0
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162873 57578185 1 SN3O3C65H65 AB3C3D65E65 47.43 4.04 -7.93 -2.02 0
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162874 57578211 1 SO3N4C62H62 AB3C4D62E62 47.7 5.79 -8.08 -2.11 0
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162875 57578221 1 SN3O3H39C51 AB3C3D39E51 94.6 2.87 -7.95 -1.92 0
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162876 57578233 2 NO5C67H103 AB5C67D103 -694.15 1.71 -8.11 -2.41 2
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162877 57578238 2 N2C11H12 A2B11C12 166.03 4.74 -6.76 -0.09 0
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162878 57578240 2 NOH3C7 ABC3D7 95.65 3.79 -9.81 -3.08 0
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162879 57578242 2 NOH7C13 ABC7D13 142.8 3.2 -9.42 -2.86 2
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162880 57578245 1 N4H60C61 A4B60C61 238.66 1.56 -7.31 -0.49 0
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162881 57578246 2 NOH6C12 ABC6D12 109.03 6.71 -9.56 -2.27 2
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162882 57578254 2 N2H13C15 A2B13C15 185.17 4.7 -7.24 0.05 2
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162883 57578257 1 N4H44C85 A4B44C85 971.13 6.78 -8.21 -1.61 2
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162884 57578270 1 N4H44C77 A4B44C77 715.75 7.13 -7.58 -1.76 0
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162885 57578276 1 N2O2H12C17 A2B2C12D17 65.37 8.49 -8.64 -1.36 -1
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162886 57578278 1 NCl2S2O4 AB2C2D4 -99.74 0.56 0.0 0.0 1
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162888 57578281 1 ClN2O4C40H52 AB2C4D40E52 -118.65 2.31 0.0 0.0 1
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162889 57578282 1 ClN2O4C42H56 AB2C4D42E56 -135.63 3.25 0.0 0.0 1
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162890 57578284 1 N2C37H39 A2B37C39 100.96 2.77 0.0 0.0 1
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162891 57578286 1 ClN2O6C42H56 AB2C6D42E56 -205.1 2.83 0.0 0.0 1
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162892 57578287 1 N2S2C21H23 A2B2C21D23 64.14 2.2 0.0 0.0 1
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162893 57578289 1 ClN2O4C36H44 AB2C4D36E44 -106.24 4.01 0.0 0.0 1
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162894 57578294 1 N2C43H51 A2B43C51 69.64 1.16 0.0 0.0 1
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162896 57578303 1 ClKN2O8H38C60 ABC2D8E38F60 428.5 65.94 -8.43 -2.94 1
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162897 57578304 1 ClN2O8H40C60 AB2C8D40E60 407.84 19.62 0.0 0.0 0
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162899 57578310 1 SO5C25H38 AB5C25D38 -240.95 9.65 -9.43 -1.0 0
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162900 57578316 1 SiC35H45 AB35C45 11.89 0.48 0.0 0.0 0
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162901 57578319 1 OC18H24 AB18C24 -43.27 1.91 -7.84 0.04 0
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162902 57580719 1 O3N5C26H27 A3B5C26D27 -32.92 4.0 -8.31 -1.04 0
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162903 57580725 1 O3N5H21C26 A3B5C21D26 -2.02 7.65 -8.5 -1.19 0
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162904 57580739 1 O2N5C29H29 A2B5C29D29 15.36 4.3 -9.01 -1.06 0
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162906 57580747 1 SO3N5H21C22 AB3C5D21E22 -18.59 6.77 -8.39 -1.1 0
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162909 57580774 1 N2O3H26C29 A2B3C26D29 -28.05 7.18 -9.09 -1.19 0
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162910 57580778 1 ON5C23H23 AB5C23D23 69.45 3.36 -7.98 -0.46 0
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162911 57580787 2 ON3C12H12 AB3C12D12 21.06 5.02 -8.48 -1.16 0
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162912 57580794 1 ON4C30H34 AB4C30D34 41.54 8.96 -8.1 -0.82 0
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162913 57580809 2 N3C13H15 A3B13C15 101.07 4.64 -7.87 -0.45 0
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162914 57580816 1 FO2N5H22C28 AB2C5D22E28 14.23 5.75 -8.54 -1.23 0
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162915 57580819 2 ON3H13C14 AB3C13D14 42.85 6.61 -8.24 -1.14 0
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162916 57580820 1 ON5C25H27 AB5C25D27 52.89 4.7 -8.13 -1.04 0
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162917 57580824 1 O2N4H28C29 A2B4C28D29 42.3 10.25 -8.65 -1.1 0