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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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182810 76939821 1 NO4C13H15 AB4C13D15 -137.96 3.42 -9.47 -1.12 0
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182811 76939844 1 O2N4H10C13 A2B4C10D13 39.47 6.6 -9.31 -2.2 0
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182812 76940074 1 ClNSO2C11H14 ABCD2E11F14 -59.49 3.04 -9.28 -1.22 0
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182813 76940097 1 NO3C13H17 AB3C13D17 -106.33 3.89 -9.08 -0.59 0
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182814 76940180 1 ClON2C8H9 ABC2D8E9 2.56 3.78 -10.03 -0.8 0
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182815 76940222 1 SN2O2C15H22 AB2C2D15E22 -55.99 3.11 -9.03 -0.01 0
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182816 76940347 1 N3C14H17 A3B14C17 72.59 4.94 -9.26 -0.23 0
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182817 76940435 1 NSO2C13H19 ABC2D13E19 -55.13 6.47 -9.06 -0.06 0
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182818 76940906 1 NO3C7H13 AB3C7D13 -118.07 5.05 -9.57 -0.46 0
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182819 76940907 1 NO3C8H15 AB3C8D15 -123.28 5.54 -9.49 -0.41 0
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182820 76940908 1 NO2C12H21 AB2C12D21 -93.26 6.31 -9.16 -0.26 1
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182821 76941245 1 O3N5C9H12 A3B5C9D12 -46.42 3.26 0.0 0.0 1
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182822 76941246 1 O3N5C12H18 A3B5C12D18 -58.94 4.24 0.0 0.0 1
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182823 76941285 1 O3N5C10H14 A3B5C10D14 -47.04 4.7 0.0 0.0 0
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182824 76941507 1 NO2C16H21 AB2C16D21 -78.9 2.8 -9.38 -0.4 0
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182825 76941989 1 BrN3O3C13H16 AB3C3D13E16 -88.92 6.57 -8.75 -1.92 0
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182826 76941990 1 FBr2N2O2C14H15 AB2C2D2E14F15 -112.29 3.22 -10.15 -1.1 0
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182827 76941991 1 BrN2O2C13H15 AB2C2D13E15 -42.89 6.59 -9.79 -2.21 0
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182828 76942301 1 BrN2O2H13C15 AB2C2D13E15 -9.8 6.89 -9.74 -2.2 0
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182829 76942429 1 BrON3C16H20 ABC3D16E20 7.46 4.4 -9.78 -2.17 0
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182830 76942430 1 NO4C13H15 AB4C13D15 -128.9 3.45 -9.01 -0.9 0
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182831 76942431 1 SN2O4C14H20 AB2C4D14E20 -146.92 6.47 -8.98 -0.07 0
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182832 76942916 1 FOSN2C11H11 ABCD2E11F11 -61.5 5.38 -8.96 -0.76 0
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182833 76943090 1 OSN2C13H16 ABC2D13E16 -22.71 5.86 -8.79 -0.57 0
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182834 76943091 1 SN2O2C10H16 AB2C2D10E16 -92.87 6.02 -8.85 -0.54 0
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182835 76943296 2 NOC5H6 ABC5D6 -27.85 4.23 -10.06 -1.25 0
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182836 76943432 1 BrFNO2H13C16 ABCD2E13F16 -70.37 1.3 -8.89 -1.03 0
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182837 76943567 1 NO2C15H19 AB2C15D19 -29.2 2.93 -8.82 -0.18 0
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182838 76943568 1 NO2C16H21 AB2C16D21 -36.8 1.57 -8.86 -0.22 0
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182839 76943635 1 NO2C15H17 AB2C15D17 -15.65 1.03 -8.91 0.09 0
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182840 76944084 1 SN2O5C9H12 AB2C5D9E12 -183.92 1.87 -10.68 -1.83 0
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182841 76944152 1 ClNO4C15H18 ABC4D15E18 -154.97 4.62 -9.55 -0.9 0
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182842 76944153 1 SN3O5C12H17 AB3C5D12E17 -172.45 4.58 -9.71 -1.39 0
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182843 76944478 1 ClN2O3C12H15 AB2C3D12E15 -71.38 6.17 -8.7 -0.5 0
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182844 76944577 1 ClON3C16H18 ABC3D16E18 35.24 2.11 -8.79 -0.34 0
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182845 76944658 1 ON5C12H17 AB5C12D17 88.65 1.95 -9.02 -1.25 0
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182846 76944659 1 O3N5C13H13 A3B5C13D13 89.19 5.29 -9.29 -1.41 0
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182847 76944787 1 ClN2O2C15H15 AB2C2D15E15 -10.1 5.27 -8.86 -0.52 0
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182848 76944788 1 ClN2O3C15H15 AB2C3D15E15 -35.64 2.91 -8.98 -0.68 0
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182849 76944789 1 ClN2O3C12H15 AB2C3D12E15 -71.38 4.65 -9.04 -0.79 0
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182850 76944790 1 ClO2N3C13H18 AB2C3D13E18 -33.84 5.96 -8.79 -0.48 0
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182851 76944791 1 ClSN2O2H11C12 ABC2D2E11F12 7.44 4.52 -8.87 -0.67 0
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182852 76945473 1 ClOSN3C15H16 ABCD3E15F16 67.85 3.79 -8.85 -0.39 0
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182853 76945778 2 NOC7H10 ABC7D10 -61.86 5.65 -9.59 -0.87 0
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182854 76946216 1 N3O3C12H13 A3B3C12D13 -25.96 11.12 -9.12 -2.4 0
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182855 76946346 1 SN4O4C9H16 AB4C4D9E16 -167.14 1.42 -9.56 -0.44 0
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182856 76946347 1 SN2O2C13H18 AB2C2D13E18 -43.98 6.19 -9.29 -0.66 0
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182857 76946348 1 ON4C8H18 AB4C8D18 -3.62 1.67 -8.32 0.93 0
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182858 76946799 1 NOSC12H19 ABCD12E19 -13.91 1.57 -9.02 0.0 0
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182859 76947007 1 O2N3C14H25 A2B3C14D25 -55.47 2.56 -9.07 0.75 0