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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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375043 131465324 1 O2N3C8H11 A2B3C8D11 -46.48 2.0 -9.06 -0.15 0
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375044 131465340 1 NO2F3H8C10 AB2C3D8E10 -200.8 4.32 -10.21 -1.38 0
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375045 131465353 1 BrNO2F3H7C9 ABC2D3E7F9 -221.65 3.25 -9.11 -0.9 0
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375046 131465354 1 BrNO2F3H7C9 ABC2D3E7F9 -220.53 3.56 -9.24 -1.02 0
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375047 131465355 1 BrNO2F3H7C9 ABC2D3E7F9 -221.63 5.11 -9.05 -0.93 0
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375048 131465361 1 N2O2F3H7C8 A2B2C3D7E8 -211.39 1.82 -9.63 -1.15 0
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375049 131465370 1 NO2H11C12 AB2C11D12 -51.26 5.63 -9.67 -0.72 0
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375050 131465374 1 ClNSO2H10C11 ABCD2E10F11 -68.0 2.23 -8.64 -0.77 0
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375051 131465375 1 ClNSO2H10C11 ABCD2E10F11 -67.35 1.98 -8.59 -0.7 0
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375052 131465378 1 ClNSO2H10C11 ABCD2E10F11 -67.49 2.02 -8.65 -0.82 0
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375053 131465381 1 ClNSO2H10C11 ABCD2E10F11 -68.7 6.54 -8.74 -0.89 0
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375054 131465382 1 ClNSO2H10C11 ABCD2E10F11 -68.95 5.36 -8.76 -0.8 0
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375055 131465384 1 ClNSO2H10C11 ABCD2E10F11 -65.94 5.38 -8.84 -0.91 0
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375056 131465387 1 ClNSO2H10C11 ABCD2E10F11 -67.35 4.89 -8.76 -0.88 0
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375057 131465389 1 ClF3N3H7C9 AB3C3D7E9 -107.79 4.8 -10.49 -1.47 0
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375058 131465392 1 ClN2C13H15 AB2C13D15 19.73 2.97 -9.31 0.0 0
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375059 131465400 1 BrClNOF3H6C8 ABCDE3F6G8 -186.25 1.68 -10.35 -1.31 0
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375060 131465403 1 BrClNOF3H6C8 ABCDE3F6G8 -184.97 2.89 -10.39 -1.28 0
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375061 131465405 1 BrClNOF3H6C8 ABCDE3F6G8 -184.19 2.31 -10.17 -1.21 0
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375062 131465408 1 N5C11H17 A5B11C17 69.71 1.83 -8.98 -0.34 0
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375063 131465410 1 N5C11H17 A5B11C17 75.33 2.54 -8.97 -0.29 0
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375064 131465411 1 N5C11H17 A5B11C17 69.48 6.68 -8.71 0.04 0
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375065 131465413 1 BrClON2F3H5C7 ABCD2E3F5G7 -179.18 2.9 -9.98 -1.24 0
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375066 131465414 1 BrClNOF3H6C8 ABCDE3F6G8 -189.08 4.26 -9.98 -1.1 0
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375067 131465416 1 BrClNOF3H6C8 ABCDE3F6G8 -187.33 1.77 -10.18 -1.21 0
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375068 131465418 1 BrClNOF3H6C8 ABCDE3F6G8 -191.52 2.48 -9.92 -0.92 0
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375069 131465421 1 BrClNOF3H6C8 ABCDE3F6G8 -193.3 3.27 -9.98 -0.93 0
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375070 131465425 1 BrClON2F3H5C7 ABCD2E3F5G7 -176.65 3.92 -10.06 -1.37 0
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375071 131465426 1 BrClON2F3H5C7 ABCD2E3F5G7 -177.0 5.36 -9.88 -1.11 0
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375072 131465432 1 BrNOSH8C11 ABCDE8F11 22.67 3.81 -9.14 -1.1 0
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375073 131465436 1 BrNOSH8C11 ABCDE8F11 22.56 4.6 -9.09 -1.04 0
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375074 131465655 1 ClFSO2H6C11 ABCD2E6F11 -78.4 5.07 -9.14 -1.59 0
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375075 131465739 1 NSO4H7C9 ABC4D7E9 -42.13 7.16 -8.9 -1.35 0
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375076 131465755 1 ClN2O3H9C10 AB2C3D9E10 -39.02 3.84 -9.2 -1.68 0
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375077 131465796 1 ON4C9H10 AB4C9D10 31.87 6.91 -9.33 -0.58 0
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375078 131465808 1 SN5C8H11 AB5C8D11 74.75 2.69 -9.39 -0.2 0
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375079 131465809 1 SN5C8H11 AB5C8D11 81.5 3.12 -8.98 -1.52 0
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375080 131465813 1 ON3C10H13 AB3C10D13 -11.12 3.45 -9.84 -0.94 0
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375081 131465822 1 BrClN2C12H12 ABC2D12E12 43.67 3.53 -9.43 -0.72 0
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375082 131465836 1 SCl2O2H6C10 AB2C2D6E10 -57.28 4.82 -9.36 -1.43 0
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375083 131465844 1 ON3C11H13 AB3C11D13 5.14 3.74 -9.67 -1.24 0
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375084 131465884 1 NSO3H7C9 ABC3D7E9 -7.65 2.9 -8.74 -1.1 0
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375085 131465885 1 FNO2C11H12 ABC2D11E12 -82.38 4.96 -9.68 -0.71 0
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375086 131465886 1 NSO3H7C9 ABC3D7E9 -72.31 6.89 -9.18 -0.98 0
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375087 131465887 1 SO2N3H7C8 AB2C3D7E8 -8.97 9.49 -9.09 -1.47 0
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375088 131465889 1 FNO2C11H12 ABC2D11E12 -86.65 3.48 -9.39 -0.53 0
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375089 131465890 1 SO2N3H7C8 AB2C3D7E8 -9.46 5.62 -8.95 -1.44 0
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375090 131465893 1 OSN2C10H10 ABC2D10E10 15.91 4.67 -9.08 -0.66 0
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375091 131465904 1 SN5H9C10 AB5C9D10 114.32 1.51 -9.21 -1.32 0
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375092 131465919 1 OSN3C10H13 ABC3D10E13 13.89 5.78 -7.96 -0.78 0