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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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140913 52783069 1 SF2N3O3C14H22 AB2C3D3E14F22 -170.93 6.13 0.0 0.0 1
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140914 52783433 1 N2O2C20H25 A2B2C20D25 -6.62 5.34 0.0 0.0 0
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140915 52783593 1 BrN4O4H15C18 AB4C4D15E18 -71.13 2.47 -9.51 -1.26 0
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140916 52783616 1 BrSN2O5C18H19 ABC2D5E18F19 -160.1 3.9 -9.44 -1.17 0
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140917 52783899 1 ON4C16H26 AB4C16D26 -13.45 3.11 -8.56 0.44 2
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140918 52783900 1 ON4C16H28 AB4C16D28 -4.63 3.43 -8.55 0.14 0
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140919 52784202 1 ClF3N3O3H19C20 AB3C3D3E19F20 -240.94 4.98 -8.7 -0.95 0
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140920 52784557 1 BrN2O5C17H23 AB2C5D17E23 -188.3 5.45 -8.94 -0.68 0
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140921 52784642 1 N2O3C26H28 A2B3C26D28 -73.6 4.16 -8.68 -0.41 0
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140922 52784726 1 NO4C20H21 AB4C20D21 -100.75 4.25 -8.86 -0.66 0
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140923 52784727 1 NO2C21H21 AB2C21D21 -32.52 4.48 -8.88 -0.7 0
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140924 52784728 1 NO2C21H21 AB2C21D21 -32.26 4.98 -8.93 -0.74 0
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140925 52784729 1 F2N2O3C22H26 A2B2C3D22E26 -204.14 4.64 -8.67 -0.99 0
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140926 52784888 1 SN3O3C23H25 AB3C3D23E25 -66.83 8.25 -8.88 -0.72 0
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140927 52784959 1 N2O3C25H26 A2B3C25D26 -40.23 2.95 -8.75 -0.63 -1
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140928 52785401 1 SCl2N2O4C18H19 AB2C2D4E18F19 -102.51 2.05 0.0 0.0 0
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140929 52785911 1 SN2F3O3C12H13 AB2C3D3E12F13 -222.28 5.68 -10.01 -1.66 0
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140930 52785912 1 ClNSO3F4C11H12 ABCD3E4F11G12 -316.65 4.06 -9.97 -1.3 0
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140931 52785913 1 ClNSO3F6C12H12 ABCD3E6F12G12 -422.14 5.22 -10.11 -1.67 0
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140932 52785914 1 BrNSF3O3C12H15 ABCD3E3F12G15 -264.41 4.91 -9.93 -1.09 0
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140933 52785915 1 NSF3O5C19H22 ABC3D5E19F22 -316.04 10.16 -9.23 -0.74 0
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140934 52785916 1 BrNSF3O3C11H13 ABCD3E3F11G13 -252.74 2.03 -9.94 -1.01 0
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140935 52785917 1 NSO4F6C12H13 ABC4D6E12F13 -459.86 6.29 -10.15 -1.02 0
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140936 52786178 1 BrO2S2N3C13H14 AB2C2D3E13F14 -12.11 1.45 -8.69 -1.22 0
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140937 52786417 1 SO3N4C19H22 AB3C4D19E22 -38.86 6.45 -8.19 -0.52 0