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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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410318 135083111 1 BO3Si4C12H36 AB3C4D12E36 -304.63 0.27 0.0 0.0 0
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410319 135083112 1 O2H3N3C6 A2B3C3D6 50.3 8.47 -10.16 -2.8 1
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410320 135083113 1 O2N3H4C6 A2B3C4D6 17.34 3.59 0.0 0.0 0
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410321 135083114 2 ON2C4H5 AB2C4D5 25.85 4.28 -8.25 -0.67 0
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410324 135083117 1 OH12C15 AB12C15 45.08 0.95 -8.56 -1.08 0
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410325 135083118 2 C7H8 A7B8 41.61 1.44 -8.82 0.14 0
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410326 135083119 1 LiSO2N7H12C13 ABC2D7E12F13 131.28 14.64 -7.32 -1.11 0
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410327 135083120 1 SO2N7C13H13 AB2C7D13E13 111.41 4.22 -9.48 -1.04 0
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410328 135083121 2 NO2C7H11 AB2C7D11 -151.31 0.38 -8.6 0.2 0
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410329 135083122 4 HC2 AB2 150.68 0.01 -9.14 -1.19 0
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410330 135083123 2 H2C5 A2B5 363.67 1.8 -9.29 -1.7 0
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410331 135083124 20 CH AB 149.73 0.81 -8.39 -0.7 0
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410332 135083125 1 NO2C26H29 AB2C26D29 -45.15 4.24 -8.29 -0.75 0
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410333 135083126 1 BBrO2F4C9H10 ABC2D4E9F10 -364.35 12.35 -9.98 -2.51 1
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410334 135083127 1 BrO2C9H10 AB2C9D10 -25.54 4.27 0.0 0.0 0
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410335 135083128 2 NOPdCl2H7C8 ABCD2E7F8 146.11 7.24 -8.6 -1.81 0
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410336 135083131 1 LiSO3H13C14 ABC3D13E14 -89.43 7.22 -7.98 -0.44 -1
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410337 135083132 1 BrNiN3O3H25C27 ABC3D3E25F27 84.77 7.23 0.0 0.0 0
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410338 135083133 1 NO9C36H49 AB9C36D49 -409.31 4.92 -9.28 -0.79 0
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410339 135083134 1 SSeO3F8C23H24 ABC3D8E23F24 -515.65 8.12 -9.34 -1.82 0
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410340 135083135 1 STeO3H10F12C18 ABC3D10E12F18 -705.75 5.87 -9.81 -2.14 0
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410341 135083136 1 N2S2O7H10F12C19 A2B2C7D10E12F19 -690.02 6.61 -10.01 -2.63 0
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410342 135083137 1 SSeO3H6C21F22 ABC3D6E21F22 -1141.01 5.04 -10.27 -2.25 0
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410343 135083138 1 STeO3F8C22H22 ABC3D8E22F22 -537.62 3.32 -9.79 -2.0 0
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410344 135083139 1 S2O3H6F10C15 A2B3C6D10E15 -563.16 4.16 -9.82 -1.78 0