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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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82862 49856703 5 NC4H5 AB4C5 86.17 4.36 -8.16 0.07 0
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82863 49856708 1 N5O5C33H35 A5B5C33D35 -108.02 4.56 -8.85 -0.82 0
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82864 49856709 1 N5O5C32H33 A5B5C32D33 -107.61 8.54 -8.72 -0.82 0
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82865 49856715 1 O9H28C39 A9B28C39 -203.97 4.94 -8.88 -0.95 0
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82866 49856716 1 O7H24C35 A7B24C35 -120.09 4.9 -8.49 -0.89 0
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82867 49856718 1 BFN2O4C21H26 ABC2D4E21F26 -271.88 1.39 -9.68 -0.48 0
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82868 49856719 1 FN2O3H15C16 AB2C3D15E16 -122.64 6.15 -9.93 -0.71 0
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82869 49856720 1 FN2O3H15C16 AB2C3D15E16 -121.38 4.4 -9.88 -0.93 0
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82870 49856723 1 ClN2O3H15C16 AB2C3D15E16 -82.87 1.99 -9.85 -0.96 0
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82871 49856727 1 BF2N2O4C34H37 AB2C2D4E34F37 -276.21 2.08 -9.55 -0.43 0
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82872 49856728 1 BFN2O4C35H40 ABC2D4E35F40 -241.0 1.97 -9.23 -0.4 0
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82873 49856729 1 BF2N2O4C34H37 AB2C2D4E34F37 -279.37 2.01 -9.62 -0.44 0
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82874 49856731 1 O3C26H44 A3B26C44 -200.86 2.63 -8.72 0.54 0
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82875 49856732 1 O3C26H44 A3B26C44 -198.84 1.21 -8.72 0.48 0
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82876 49856733 1 IOPC22H24 ABCD22E24 -11.18 6.19 -7.72 -0.26 0
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82877 49856734 1 SSiO4C17H30 ABC4D17E30 -236.85 4.35 -9.09 -0.65 0
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82878 49856737 1 O2N4H22C23 A2B4C22D23 32.92 7.89 -9.32 -0.98 0
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82879 49856739 1 FO2N5H18C20 AB2C5D18E20 -13.17 7.16 -9.48 -1.17 0
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82880 49856741 1 O7C34H34 A7B34C34 -239.11 4.15 -9.41 -0.58 0
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82881 49856742 1 O7H30C34 A7B30C34 -188.0 6.58 -9.32 -1.02 0
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82882 49856743 1 O9H34C36 A9B34C36 -271.72 5.13 -9.0 -0.86 0
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82883 49856745 1 O7C30H38 A7B30C38 -319.19 5.36 -9.36 -0.51 0
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82884 49856747 2 N2O2H11C12 A2B2C11D12 -71.38 7.5 -8.52 -1.38 0
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82885 49856749 2 ClNOH6C9 ABCD6E9 4.76 3.84 -8.83 -1.57 0
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82886 49856750 2 NO2H9C10 AB2C9D10 -74.68 1.83 -8.46 -0.9 0
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82887 49856751 1 N2O7C21H22 A2B7C21D22 -241.58 4.89 -9.07 -0.87 0
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82888 49856752 1 BrO4C12H13 AB4C12D13 -142.03 2.34 -8.8 -0.83 0
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82889 49856753 1 BrFO2H10C11 ABC2D10E11 -115.0 2.64 -9.76 -0.97 0
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82890 49856754 1 BrNO2C12H14 ABC2D12E14 -72.51 5.95 -8.8 -0.47 0
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82891 49856755 1 BrNO4C15H16 ABC4D15E16 -155.33 6.07 -9.7 -0.93 0
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82892 49856756 1 BrNO3C16H20 ABC3D16E20 -117.77 3.28 -8.98 -0.82 0
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82893 49856757 1 BrO3C11H13 AB3C11D13 -128.84 2.94 -9.18 -0.55 0
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82894 49856758 1 CaO16H28C36 AB16C28D36 -650.24 4.21 -8.79 -1.44 1
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82895 49856759 1 KO16H30C36 AB16C30D36 -542.45 9.71 0.0 0.0 0
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82896 49856760 1 SN5O9C41H51 AB5C9D41E51 -314.88 8.41 -8.81 -0.91 0
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82897 49856761 1 SN5O9C40H45 AB5C9D40E45 -243.98 6.07 -9.25 -0.93 0
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82898 49856763 1 SN4O9C42H50 AB4C9D42E50 -277.76 4.86 -8.77 -0.49 0
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82899 49856764 1 O9N18C50H70 A9B18C50D70 -215.26 9.32 -8.48 -0.22 0
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82901 49856769 1 NO4C19H23 AB4C19D23 -150.5 4.2 -9.46 -0.65 0
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82902 49856770 1 NO4C19H23 AB4C19D23 -150.82 3.29 -9.56 -0.67 0
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82903 49856771 1 NO5C19H23 AB5C19D23 -181.43 5.07 -9.07 -0.65 0
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82904 49856772 1 NO6C24H31 AB6C24D31 -232.0 6.66 -8.64 -0.58 0
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82905 49856773 1 N2O3C25H30 A2B3C25D30 -101.99 2.36 -9.02 0.23 0
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82906 49856775 1 NOC13H13 ABC13D13 9.73 4.1 -9.42 0.0 0
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82907 49856778 1 O5N6C17H26 A5B6C17D26 -145.61 4.59 -8.7 -0.52 0
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82908 49856779 1 SN5O5C17H19 AB5C5D17E19 -137.08 1.11 -8.98 -0.97 0
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82910 49856783 1 N2O7C72H140 A2B7C72D140 -577.58 12.63 -9.65 0.44 0
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82911 49856784 4 ON2H10C11 AB2C10D11 12.97 3.61 -8.62 -0.59 0
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82912 49856785 1 O4N8H42C45 A4B8C42D45 8.14 6.93 -8.96 -0.66 0
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82913 49856786 2 O2N4C21H21 A2B4C21D21 -0.16 4.48 -8.54 -0.52 0