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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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300129 121147394 1 SN3O3H13C15 AB3C3D13E15 -13.93 3.94 -9.07 -1.04 0
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300130 121147395 1 SN3O3H13C15 AB3C3D13E15 -13.5 4.61 -9.03 -1.21 0
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300131 121147396 1 SN3O3H13C15 AB3C3D13E15 -16.02 7.47 -8.88 -1.05 0
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300132 121147397 1 SN3O3H15C16 AB3C3D15E16 -10.59 3.01 -9.32 -1.02 0
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300133 121147398 1 SN3O3H15C16 AB3C3D15E16 -10.09 5.52 -9.21 -0.88 0
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300134 121147399 1 SN3O3C17H17 AB3C3D17E17 -32.32 8.49 -8.81 -1.0 0
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300135 121147400 1 SN3O3C18H19 AB3C3D18E19 -19.85 5.93 -9.2 -0.87 0
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300136 121147401 1 SN3O4H15C16 AB3C4D15E16 -60.38 7.35 -8.69 -0.92 0
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300137 121147402 1 SN3O4H15C16 AB3C4D15E16 -48.72 6.31 -8.84 -1.07 0
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300138 121147403 1 SN3O4H15C16 AB3C4D15E16 -37.49 1.98 -8.8 -1.02 0
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300139 121147404 1 SN3O4H15C16 AB3C4D15E16 -55.73 6.29 -8.99 -1.14 0
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300140 121147405 1 SN3O4H11C15 AB3C4D11E15 -37.07 5.9 -9.0 -1.3 0
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300141 121147407 1 SN3O5C17H17 AB3C5D17E17 -83.66 4.64 -8.66 -1.15 0
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300142 121147408 1 SN3O5C20H23 AB3C5D20E23 -96.33 6.06 -8.82 -0.9 0
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300143 121147409 1 FSO2N3H10C14 ABC2D3E10F14 -19.64 6.13 -9.02 -1.18 0
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300144 121147410 1 FSO2N3H10C14 ABC2D3E10F14 -19.85 4.69 -9.11 -1.36 0
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300145 121147411 1 FSO2N3H10C14 ABC2D3E10F14 -21.02 3.86 -9.09 -1.3 0
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300146 121147412 1 ClSO2N3H10C14 ABC2D3E10F14 18.57 6.04 -9.01 -1.21 0
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300147 121147413 1 ClSO2N3H10C14 ABC2D3E10F14 17.38 3.82 -9.1 -1.37 0
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300148 121147414 1 BrSO2N3H10C14 ABC2D3E10F14 -0.81 3.28 -8.99 -1.14 0
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300149 121147415 1 BrSO2N3H10C14 ABC2D3E10F14 29.96 4.77 -9.1 -1.38 0
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300150 121147416 1 BrSO2N3H10C14 ABC2D3E10F14 29.66 3.8 -9.12 -1.4 0
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300151 121147417 1 ISO2N3H10C14 ABC2D3E10F14 45.31 5.8 -9.0 -1.49 0
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300152 121147418 1 SF2O2N3H9C14 AB2C2D3E9F14 -65.79 6.32 -9.05 -1.29 0
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300153 121147419 1 SF2O2N3H9C14 AB2C2D3E9F14 -63.34 3.27 -9.18 -1.52 0