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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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144754 53408140 1 ClFNOC8H9 ABCDE8F9 -93.04 2.11 -9.31 -0.73 0
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144755 53408342 1 Br2O3H10C12 A2B3C10D12 -86.9 2.87 -9.18 -1.42 0
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144756 53408389 1 BrClN3H5C8 ABC3D5E8 54.45 2.05 -9.1 -1.29 0
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144757 53408502 1 ClNO2C11H14 ABC2D11E14 -104.48 5.06 -9.33 -0.19 0
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144758 53408810 1 FON2C11H17 ABC2D11E17 -80.83 2.47 -8.46 -0.09 0
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144759 53408811 1 FON2C10H15 ABC2D10E15 -71.57 3.18 -8.65 -0.06 0
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144760 53408812 1 N2O3C10H14 A2B3C10D14 -112.28 3.32 -9.22 -0.88 0
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144761 53408839 1 ClON3C8H12 ABC3D8E12 -24.11 3.22 -9.16 -0.76 0
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144762 53409110 1 BrO3C9H9 AB3C9D9 -106.17 4.65 -9.51 -0.68 0
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144763 53409193 1 BrClNOC12H15 ABCDE12F15 -44.72 1.82 -8.88 -0.18 0
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144764 53409310 1 NOC13H19 ABC13D19 -34.06 2.39 -8.59 0.25 0
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144765 53409420 1 NO2C13H19 AB2C13D19 -68.42 2.87 -8.81 0.3 0
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144766 53409436 1 INOC10H12 ABCD10E12 17.09 1.85 -9.34 -0.85 0
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144767 53409437 1 ClINOC12H17 ABCDE12F17 -45.5 3.57 -9.06 -0.76 0
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144768 53409979 1 ClNOC16H24 ABCD16E24 -55.42 1.97 -8.66 0.01 0
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144769 53410368 1 BrClFNO3C12H14 ABCDE3F12G14 -180.41 2.48 -9.26 -0.67 0
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144770 53410427 1 NO3C15H21 AB3C15D21 -122.17 1.81 -8.91 0.27 0
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144771 53410688 1 ClN2O2C6H15 AB2C2D6E15 -125.98 2.61 -9.18 0.87 0
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144772 53410938 1 N3O5C14H21 A3B5C14D21 -214.97 3.46 -9.66 -0.84 -1
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144773 53411053 1 O2C12H21 A2B12C21 -98.87 0.91 0.0 0.0 0
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144774 53411054 2 OC6H11 AB6C11 -120.11 5.04 -10.33 0.5 0
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144775 53411125 1 FO2H9C13 AB2C9D13 -43.23 2.95 -9.6 -1.29 0
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144776 53411367 1 NO5C17H23 AB5C17D23 -226.14 4.19 -9.09 0.16 0
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144777 53411368 1 N2O7C16H20 A2B7C16D20 -218.13 11.28 -9.85 -1.55 0
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144778 53411734 1 N2O5C18H26 A2B5C18D26 -217.42 5.24 -9.58 -0.26 0
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144779 53411907 1 ClNSO3C9H18 ABCD3E9F18 -164.91 4.75 -8.41 -0.08 0
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144780 53412573 1 BrN2H7C8 AB2C7D8 45.35 0.41 -8.93 -0.48 0
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144781 53412669 1 ClN2H7C8 AB2C7D8 37.62 5.95 -8.71 -0.4 0
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144782 53412670 1 ClN2H7C8 AB2C7D8 34.3 3.83 -8.73 -0.42 0
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144783 53412673 1 ON3H7C10 AB3C7D10 94.26 1.75 -10.36 -2.41 0
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144784 53412859 1 FN2H5C7 AB2C5D7 4.54 5.51 -9.13 -0.55 1
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144785 53412937 1 BrON2F3H3C5 ABC2D3E3F5 -153.89 6.2 0.0 0.0 0
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144787 53413552 1 NSO2C15H17 ABC2D15E17 -48.61 3.38 -8.97 -1.01 0
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144788 53413633 1 N2O2S2C9H12 A2B2C2D9E12 -34.87 2.37 -8.78 -0.69 0
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144789 53413634 1 ON2S2C14H14 AB2C2D14E14 23.43 4.96 -8.94 -0.73 0
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144790 53413663 1 SN3O3C19H23 AB3C3D19E23 -60.98 7.69 -8.61 -0.76 0
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144791 53413688 2 FNOH11C12 ABCD11E12 -123.71 10.04 -8.49 -0.32 0
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144792 53414149 2 NO2C12H13 AB2C12D13 -123.49 1.83 -8.74 0.0 0
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144793 53414708 1 O2F3N3H8C11 A2B3C3D8E11 -100.05 2.95 -10.41 -1.88 0
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144794 53414709 1 IOF3H4C8 ABC3D4E8 -147.16 3.89 -10.1 -1.6 0
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144795 53414710 1 N2O4C9H16 A2B4C9D16 -180.98 4.04 -10.15 0.17 0
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144796 53414777 1 NO4C18H25 AB4C18D25 -175.88 0.79 -9.52 0.15 0
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144797 53415189 1 ON2C7H16 AB2C7D16 -44.67 3.05 -9.08 2.03 0
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144798 53415328 1 BrNOH12C13 ABCD12E13 4.88 2.42 -9.19 -0.17 0
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144799 53415329 1 BrN2C11H15 AB2C11D15 28.39 3.32 -8.38 0.05 0
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144800 53415330 1 FNOC10H12 ABCD10E12 -63.16 4.17 -9.48 -0.52 0
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144801 53415522 1 NO3F5H14C20 AB3C5D14E20 -320.7 6.5 -9.68 -1.39 0
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144802 53415648 1 NOF3H16C19 ABC3D16E19 -137.04 5.47 -8.69 -0.66 0
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144803 53415719 2 NOC11H11 ABC11D11 -8.85 4.61 -8.59 -0.62 0
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144804 53415720 2 NOC11H11 ABC11D11 -8.67 4.94 -8.67 -0.58 0