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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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184041 77103279 1 BrClON3C14H15 ABCD3E14F15 14.62 12.09 -8.58 -2.15 0
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184042 77103729 1 OSN3C14H15 ABC3D14E15 49.78 2.42 -8.37 -0.35 1
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184043 77103835 1 BrO2N5C12H17 AB2C5D12E17 -35.61 2.33 0.0 0.0 1
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184044 77103836 1 ClO2N5C12H17 AB2C5D12E17 -47.66 3.17 0.0 0.0 0
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184045 77104225 1 NO3C17H21 AB3C17D21 -66.3 4.57 -8.85 -0.62 0
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184046 77104236 1 N3O4C14H15 A3B4C14D15 -61.63 4.39 -9.97 -1.86 0
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184047 77104262 1 O2N4C9H14 A2B4C9D14 -51.83 1.74 -9.46 -0.56 0
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184048 77104557 1 Br2O2N4C11H14 A2B2C4D11E14 -60.0 5.7 -9.42 -1.15 0
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184049 77104558 1 ClO2N4C13H19 AB2C4D13E19 -79.68 5.32 -8.74 0.01 0
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184050 77104559 1 ClO2N4C12H17 AB2C4D12E17 -70.07 5.99 -8.74 -0.08 0
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184051 77104708 1 N2O2C17H22 A2B2C17D22 -44.72 4.94 -8.92 -1.28 0
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184052 77104795 1 NO3C15H19 AB3C15D19 -68.25 4.48 -8.94 -0.77 0
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184053 77104796 1 NO3C15H19 AB3C15D19 -88.06 5.2 -8.94 -0.56 0
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184054 77104846 1 ClSN3O3C12H18 ABC3D3E12F18 -85.84 6.73 -9.34 -1.67 0
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184055 77104854 1 N3O3C8H11 A3B3C8D11 -89.94 2.69 -10.57 -1.19 0
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184056 77104855 1 N3O3C13H13 A3B3C13D13 -47.45 3.49 -9.83 -1.6 0
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184057 77104974 1 NO3C27H37 AB3C27D37 -130.88 4.54 -8.92 -0.06 0
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184058 77105002 1 ClOSF3N5H13C16 ABCD3E5F13G16 -96.48 7.21 -8.45 -0.94 0
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184059 77105003 1 ClSO2F3N5H13C17 ABC2D3E5F13G17 -140.08 8.14 -8.84 -1.22 0
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184060 77105004 1 OSCl2N6H10C15 ABC2D6E10F15 108.95 9.22 -8.69 -0.91 0
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184061 77105005 1 OSCl2F3N5H10C15 ABC2D3E5F10G15 -85.81 6.67 -8.66 -0.84 0
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184062 77105006 1 OSCl2F3N5H10C15 ABC2D3E5F10G15 -85.41 9.07 -8.71 -0.89 0
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184063 77105007 1 O2S2N8H20C23 A2B2C8D20E23 121.63 4.17 -8.74 -1.24 0
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184064 77105216 2 FON2H10C12 ABC2D10E12 -84.04 2.9 -9.11 -0.87 0
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184065 77105217 1 FNO3H16C18 ABC3D16E18 -62.32 5.74 -8.81 -0.36 0