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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80340 49834089 1 N7O7C39H51 A7B7C39D51 -285.32 14.72 -8.64 -0.17 0
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80341 49834090 2 SO4N6C18H35 AB4C6D18E35 -398.15 8.77 -9.21 -0.42 0
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80342 49834091 2 SO4N8C18H35 AB4C8D18E35 -380.91 18.76 -9.11 0.07 0
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80343 49834092 1 SO3N4H20C22 AB3C4D20E22 10.79 3.68 -9.11 -1.06 0
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80344 49834095 1 SN3O3C25H27 AB3C3D25E27 -52.04 4.96 -8.51 -0.51 0
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80345 49834097 1 BSN4O6H13C14 ABC4D6E13F14 -207.11 12.85 -9.41 -1.29 0
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80347 49834103 1 S2N6O9C39H48 A2B6C9D39E48 -294.1 10.51 -9.06 -0.91 0
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80348 49834105 1 SN6O10C38H46 AB6C10D38E46 -323.57 8.31 -9.09 -1.24 0
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80349 49834106 1 N7O13C26H53 A7B13C26D53 -609.94 9.37 -8.96 0.15 1
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80350 49834115 1 ClN3O5C31H35 AB3C5D31E35 -139.55 6.26 0.0 0.0 0
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80351 49834120 1 ClSN4O11C41H51 ABC4D11E41F51 -457.21 6.4 -9.01 -0.72 0
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80352 49834122 1 ClSN4O11C31H37 ABC4D11E31F37 -398.98 10.7 -9.68 -1.38 0
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80353 49834126 3 NC4H5 AB4C5 55.1 4.69 -9.16 -0.27 0
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80354 49834127 1 ClN3C9H12 AB3C9D12 14.67 2.13 -8.9 -0.61 0
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80355 49834140 1 O2F4N4H26C29 A2B4C4D26E29 -201.35 1.05 -8.95 -1.05 0
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80356 49834146 1 FNO6H34C35 ABC6D34E35 -213.53 7.6 -9.69 -1.01 0
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80357 49834148 1 FNO6C36H36 ABC6D36E36 -218.56 3.94 -9.65 -0.85 0
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80358 49834149 1 BrO2N3C25H34 AB2C3D25E34 -33.31 4.3 -8.68 -0.34 0
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80359 49834152 1 BrN3O4C26H34 AB3C4D26E34 -142.02 8.16 -8.87 -0.22 0
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80360 49834155 1 BrClN2O2H20C25 ABC2D2E20F25 -9.68 4.51 -8.81 -0.51 0
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80361 49834167 1 SO2N8H30C33 AB2C8D30E33 120.28 6.83 -7.86 -0.83 0
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80362 49834169 1 ClSO3N4H19C20 ABC3D4E19F20 -38.22 10.07 -9.0 -0.52 0
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80363 49834170 1 ClSN3O3H20C22 ABC3D3E20F22 -38.76 2.7 -9.27 -1.27 0
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80364 49834171 1 ClSO3N4C21H21 ABC3D4E21F21 -37.76 10.03 -8.75 -0.31 0
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80365 49834175 1 O3N6C28H30 A3B6C28D30 -18.23 3.93 -8.36 -0.92 0