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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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78977 49742944 1 O2N3H19C21 A2B3C19D21 -20.7 3.78 -8.75 -0.93 0
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78978 49742946 1 SN2O2C18H22 AB2C2D18E22 -85.6 6.48 -8.82 -0.77 0
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78979 49742957 1 N3O3H17C18 A3B3C17D18 -90.92 10.49 -8.62 -1.4 0
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78980 49742961 1 SO2N3H15C16 AB2C3D15E16 -37.13 6.86 -8.8 -1.27 0
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78981 49742963 1 ClN2O2H17C20 AB2C2D17E20 -38.02 6.59 -8.83 -1.04 0
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78982 49742965 1 O2N3H21C22 A2B3C21D22 -35.26 6.55 -8.7 -0.64 0
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78983 49742979 1 SN2O2H16C18 AB2C2D16E18 -23.9 5.4 -8.84 -1.09 0
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78984 49742980 1 BrN3O3H20C22 AB3C3D20E22 -83.54 6.75 -9.03 -0.98 0
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78985 49742984 1 N2O2C13H14 A2B2C13D14 -77.43 4.96 -8.87 -0.78 0
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78986 49742985 1 N2O2C15H18 A2B2C15D18 -86.33 8.67 -8.85 -0.67 0
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78987 49742987 1 N2O2C15H18 A2B2C15D18 -86.19 5.38 -8.83 -0.74 0
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78988 49742999 2 NOC10H13 ABC10D13 -102.39 5.47 -8.83 -0.74 0
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78989 49743000 2 NOC11H13 ABC11D13 -98.81 5.87 -8.78 -0.7 0
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78990 49743006 1 N2O4C15H16 A2B4C15D16 -148.28 4.08 -9.09 -1.08 0
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78991 49743008 1 ClN2O2C13H13 AB2C2D13E13 -78.84 4.05 -9.0 -0.98 0
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78992 49743010 1 ClN2O2C15H17 AB2C2D15E17 -92.47 5.17 -8.91 -0.82 0
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78993 49743011 1 ClN2O2C14H15 AB2C2D14E15 -86.93 4.68 -8.97 -0.95 0
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78994 49743013 2 NOH8C9 ABC8D9 -40.97 5.46 -8.86 -0.91 0
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78995 49743014 1 N2O2H18C19 A2B2C18D19 -51.95 5.44 -8.84 -0.81 0
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78996 49743015 1 N2O2H18C19 A2B2C18D19 -51.11 5.65 -8.84 -0.85 0
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78997 49743030 2 NO2C10H10 AB2C10D10 -124.35 6.58 -8.83 -0.86 0
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78998 49743031 1 N2O4H16C19 A2B4C16D19 -104.86 5.4 -8.89 -0.98 0
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78999 49743032 2 NO2C11H12 AB2C11D12 -132.85 8.28 -8.76 -0.75 0
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79000 49743033 1 N2O5C21H22 A2B5C21D22 -154.35 7.63 -8.82 -0.87 0
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79001 49743034 1 N2O5C24H28 A2B5C24D28 -176.27 8.65 -8.69 -0.77 0