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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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178211 76295406 1 ClO2N4C23H27 AB2C4D23E27 -55.77 4.87 -9.27 -0.43 0
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178212 76295407 1 N2O3C21H22 A2B3C21D22 -43.5 4.81 -8.82 -0.86 0
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178213 76295682 1 O3N5C26H27 A3B5C26D27 -27.24 0.64 -8.55 -1.03 0
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178214 76295886 1 ClSO2N4C25H27 ABC2D4E25F27 -4.2 3.02 -9.2 -0.62 0
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178215 76296169 1 SN3O4C27H29 AB3C4D27E29 -70.3 6.67 -8.98 -0.83 0
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178216 76297612 1 SN4O4C26H34 AB4C4D26E34 -106.71 9.21 -8.8 -1.32 0
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178217 76297613 1 SN3O7C23H27 AB3C7D23E27 -204.22 11.53 -8.49 -1.44 0
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178218 76297614 1 SN3O6C22H27 AB3C6D22E27 -198.61 9.4 -8.74 -0.45 0
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178219 76297782 1 SN4O4C21H24 AB4C4D21E24 -106.82 3.15 -8.93 -1.13 0
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178220 76297783 1 SF3O3N4C23H25 AB3C3D4E23F25 -219.9 6.32 -8.98 -1.43 0
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178221 76297823 1 SO4N5C23H29 AB4C5D23E29 -149.47 6.73 -8.69 -0.73 0
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178222 76298054 1 SO3N4C22H30 AB3C4D22E30 -110.6 2.75 -8.4 0.12 0
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178223 76298251 1 BrSO3N5C17H18 ABC3D5E17F18 -31.37 1.52 -9.09 -1.34 0
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178224 76298252 1 S2N5O5C21H29 A2B5C5D21E29 -177.73 7.64 -8.44 -0.66 0
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178225 76298267 1 FSO3N4C23H25 ABC3D4E23F25 -92.4 3.36 -8.62 -1.24 0
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178226 76298457 1 N2O2S3H12C18 A2B2C3D12E18 49.83 6.16 -8.25 -1.92 0
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178227 76298458 1 BrO3N4C17H17 AB3C4D17E17 -57.67 7.39 -9.41 -1.06 0
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178228 76298459 1 FBr2N2O2C13H13 AB2C2D2E13F13 -114.45 2.45 -9.94 -0.82 0
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178229 76298494 1 BrN3O3C18H18 AB3C3D18E18 -67.64 4.69 -9.56 -0.82 0
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178230 76298641 1 BrS2N3O4H10C12 AB2C3D4E10F12 -32.65 7.98 -9.55 -2.31 0
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178231 76298642 1 BrSN3O3H12C17 ABC3D3E12F17 21.62 6.09 -9.55 -2.18 0
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178232 76298643 1 BrF2N3O5H12C16 AB2C3D5E12F16 -188.69 0.68 -9.33 -2.42 0
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178233 76298691 1 BrFN4O4C17H18 ABC4D4E17F18 -194.94 6.55 -10.08 -0.72 1
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178234 76298864 1 BrO4N6H12C14 AB4C6D12E14 1.05 15.99 0.0 0.0 0
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178235 76299066 2 O2N3C12H14 A2B3C12D14 -40.65 4.22 -9.52 -0.89 0