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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80774 49836678 1 O11C19H34 A11B19C34 -449.02 1.29 -9.34 1.12 0
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80775 49836679 2 O5C10H18 A5B10C18 -417.59 1.57 -9.26 1.21 0
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80776 49836682 1 N3O3C15H29 A3B3C15D29 -184.95 3.07 -9.26 0.62 0
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80777 49836685 1 ON2C13H20 AB2C13D20 -47.19 5.31 -9.02 -0.3 0
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80778 49836686 1 N3O4C26H33 A3B4C26D33 -159.55 7.0 -9.45 -0.27 0
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80779 49836688 1 O3N5H49C52 A3B5C49D52 71.77 5.42 -8.91 -0.25 0
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80780 49836689 1 O2N5H47C52 A2B5C47D52 136.69 7.09 -8.35 -0.29 0
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80781 49836691 1 SO2C5N6H8 AB2C5D6E8 41.31 4.53 -9.33 -1.0 0
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80782 49836692 1 FNSO5C16H16 ABCD5E16F16 -128.03 3.53 -9.72 -0.86 0
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80783 49836695 1 O3C12H16 A3B12C16 -123.04 6.85 -10.0 -0.74 0
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80784 49836696 1 O5C12H14 A5B12C14 -196.74 6.1 -10.45 -0.8 0
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80785 49836719 1 SO2N4C18H20 AB2C4D18E20 9.53 7.72 -8.32 -0.78 0
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80786 49836720 1 SO3N4C18H20 AB3C4D18E20 -25.96 5.48 -8.35 -0.8 0
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80787 49836721 1 SO2F3N4H17C18 AB2C3D4E17F18 -143.02 3.26 -8.55 -1.36 0
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80788 49836722 1 ClOSN3H12C18 ABCD3E12F18 53.14 7.27 -8.8 -1.22 0
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80789 49836723 1 OSN3H15C19 ABC3D15E19 53.89 5.36 -8.62 -1.12 0
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80790 49836724 1 OSN3H15C19 ABC3D15E19 57.23 3.5 -8.89 -1.03 0
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80791 49836725 1 SO2N3H15C19 AB2C3D15E19 24.7 3.96 -8.32 -0.96 0
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80792 49836726 1 OSN3H15C19 ABC3D15E19 63.99 6.74 -8.65 -1.16 0
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80793 49836727 1 FSN3O7C31H36 ABC3D7E31F36 -284.24 7.05 -9.38 -0.41 0
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80794 49836728 1 FSN3O8C31H34 ABC3D8E31F34 -306.44 7.02 -8.99 -1.14 0
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80795 49841130 1 SO2N5C25H27 AB2C5D25E27 16.32 5.16 -9.34 -1.3 0
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80796 49845792 1 SiO3C26H44 AB3C26D44 -208.88 4.68 -8.99 -0.49 0
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80797 49845793 1 Si3O5C26H56 A3B5C26D56 -441.08 5.46 -8.5 0.7 0
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80798 49845849 1 SN4O5H20C25 AB4C5D20E25 -26.38 4.38 -9.09 -1.24 1