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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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89023 49958787 1 BrO2N3H10C14 AB2C3D10E14 38.22 4.81 -9.29 -1.46 0
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89024 49958792 1 Br2O2N3H9C14 A2B2C3D9E14 50.14 3.75 -9.44 -1.61 0
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89025 49958793 1 N3O3H13C15 A3B3C13D15 5.76 5.51 -8.81 -1.34 0
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89026 49958794 1 BrClN2O2H14C17 ABC2D2E14F17 6.07 5.06 -9.37 -1.27 0
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89027 49958795 1 ClN2O2H17C22 AB2C2D17E22 47.08 4.01 -9.21 -0.59 0
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89028 49958803 1 BrIN2O3H12C16 ABC2D3E12F16 8.71 4.89 -9.2 -1.23 0
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89029 49958807 1 BrIN2O2H12C16 ABC2D2E12F16 32.05 1.69 -9.03 -1.21 0
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89030 49958809 1 BrIN2O3H14C17 ABC2D3E14F17 -1.47 2.89 -9.14 -1.12 0
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89031 49958810 1 IN2O2C19H19 AB2C2D19E19 15.16 2.87 -8.91 -1.04 0
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89032 49958812 1 BrIN2O3H14C17 ABC2D3E14F17 0.38 5.16 -9.03 -1.23 0
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89033 49958817 2 INOH6C8 ABCD6E8 46.4 1.83 -9.02 -1.19 0
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89034 49958834 2 NOC9H9 ABC9D9 11.18 5.24 -9.01 -0.49 0
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89035 49958836 2 NOH8C9 ABC8D9 29.12 6.78 -8.93 -0.93 0
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89036 49958837 2 NOH9C11 ABC9D11 47.18 3.8 -8.88 -0.61 0
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89037 49958838 2 ClNOH8C9 ABCD8E9 -9.88 3.89 -9.09 -0.57 0
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89038 49958839 1 BrN2O2H13C16 AB2C2D13E16 20.54 6.77 -9.14 -0.96 0
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89039 49958841 1 ON2H16C20 AB2C16D20 68.69 4.21 -9.01 -0.62 0
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89040 49958862 1 Br2N2O2H14C17 A2B2C2D14E17 20.06 3.94 -9.58 -0.79 0
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89041 49958869 1 BrN2O2H15C17 AB2C2D15E17 15.24 4.17 -9.14 -0.74 0
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89042 49958878 1 IN2O2C12H13 AB2C2D12E13 -4.18 2.97 -9.1 -1.05 0
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89043 49958882 1 N2O3H22C25 A2B3C22D25 23.57 7.46 -8.51 -1.05 0
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89044 49958897 1 ON2H24C25 AB2C24D25 62.31 4.87 -9.28 -0.76 0
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89045 49958918 1 N2O4H18C21 A2B4C18D21 -23.62 3.14 -8.56 -0.69 0
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89046 49958924 1 BrN2O3H17C21 AB2C3D17E21 5.56 5.35 -8.82 -0.9 0
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89047 49958964 2 NO2C10H10 AB2C10D10 -47.32 4.88 -8.47 -0.9 0