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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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182860 76947008 1 O2N3C15H29 A2B3C15D29 -91.59 3.69 -9.17 0.54 0
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182861 76947009 1 O2N3C11H21 A2B3C11D21 -66.87 2.09 -9.26 0.47 0
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182862 76947182 1 N2O4C15H20 A2B4C15D20 -88.61 2.98 -8.38 -0.24 0
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182863 76947282 1 ON3C14H17 AB3C14D17 30.71 11.13 -9.14 -2.01 0
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182864 76947283 1 ON2C11H16 AB2C11D16 -18.44 4.07 -9.62 -0.78 0
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182865 76947284 1 BrON3C14H18 ABC3D14E18 -10.58 9.59 -9.21 -1.78 0
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182866 76947285 1 O2N3C16H17 A2B3C16D17 -18.91 3.41 -8.84 -0.52 0
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182867 76947410 1 N2O3C15H20 A2B3C15D20 -107.55 3.18 -8.99 -0.76 0
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182868 76947886 1 SN2O2C12H14 AB2C2D12E14 -20.04 7.92 -7.94 -1.25 0
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182869 76947887 1 F2O2N3C12H15 A2B2C3D12E15 -133.81 3.55 -8.88 -0.99 0
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182870 76947948 1 SO3N5C12H23 AB3C5D12E23 -79.95 9.43 -8.95 0.14 0
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182871 76947949 1 S2N3O5C10H21 A2B3C5D10E21 -191.88 7.0 -9.47 -0.04 0
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182872 76947972 1 SO2N3C13H15 AB2C3D13E15 -4.22 1.71 -9.3 -1.7 0
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182873 76948000 1 SO2N3C15H19 AB2C3D15E19 -26.32 5.9 -9.09 -1.37 0
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182874 76948234 1 N3O3C12H17 A3B3C12D17 -72.85 5.55 -8.89 -0.43 0
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182875 76948481 1 NO2F3H10C15 AB2C3D10E15 -102.38 6.72 -10.04 -1.23 0
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182876 76948624 1 N3C13H21 A3B13C21 25.01 3.51 -8.65 0.18 0
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182877 76948733 2 NOC6H10 ABC6D10 -99.08 2.26 -9.26 0.91 0
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182878 76948834 1 NO3C13H17 AB3C13D17 -30.74 3.73 -9.24 -1.12 0
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182879 76948858 1 NF2O4C14H17 AB2C4D14E17 -176.49 7.51 -9.4 -1.12 0
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182880 76948859 1 NSO2C10H13 ABC2D10E13 12.25 5.43 -9.56 -1.53 0
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182881 76948869 1 N5C9H17 A5B9C17 43.7 2.98 -8.81 0.45 0
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182882 76949362 1 BrNO3C13H16 ABC3D13E16 -28.99 5.86 -9.29 -1.09 0
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182883 76949363 1 NO3C15H21 AB3C15D21 -46.58 4.61 -9.31 -1.09 0
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182884 76949364 1 NO4C16H23 AB4C16D23 -79.01 6.14 -8.56 -1.12 0
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182885 76949730 1 OSN2F3C11H13 ABC2D3E11F13 -164.8 2.64 -9.15 -0.8 0
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182886 76949779 1 NOF3C15H16 ABC3D15E16 -172.02 3.72 -9.6 0.17 0
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182887 76949780 1 NOF3H8C11 ABC3D8E11 -121.82 3.03 -10.08 -2.04 0
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182888 76949781 1 O2F3N3H8C9 A2B3C3D8E9 -160.62 6.34 -9.44 -0.69 0
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182889 76950092 1 ClN4C14H15 AB4C14D15 68.2 3.98 -8.98 -0.41 1
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182890 76950114 1 O4N5C12H20 A4B5C12D20 -121.8 7.23 0.0 0.0 0
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182891 76950115 1 N2O4C15H18 A2B4C15D18 -140.15 7.58 -9.16 -1.06 0
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182892 76950901 1 ON3C10H21 AB3C10D21 -11.06 2.61 -8.76 1.09 0
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182893 76951102 1 BrON4C15H17 ABC4D15E17 40.39 2.92 -8.96 -0.45 0
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182894 76951560 1 ClO2N3C14H20 AB2C3D14E20 -34.17 4.92 -8.99 -0.64 0
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182895 76951618 1 NO3C17H23 AB3C17D23 -103.22 8.33 -9.53 -0.57 0
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182896 76952010 1 O2N5C11H21 A2B5C11D21 -24.37 3.46 -8.6 0.41 0
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182897 76952519 1 NO2C11H17 AB2C11D17 -94.57 3.82 -9.46 0.12 0
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182898 76952689 1 SO3N5C11H21 AB3C5D11E21 -74.59 8.81 -8.99 0.09 0
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182899 76952690 1 N3O3C9H19 A3B3C9D19 -121.24 3.52 -8.98 0.61 0
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182900 76952691 1 N3O3C13H19 A3B3C13D19 -96.34 3.13 -8.94 -0.22 0
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182901 76952813 1 O2N3C10H19 A2B3C10D19 -73.94 3.61 -9.05 0.81 0
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182902 76952814 1 O2N3C10H21 A2B3C10D21 -83.59 4.76 -9.03 0.79 0
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182903 76952815 1 O2N3C10H21 A2B3C10D21 -82.45 2.5 -9.12 0.75 0
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182904 76953024 1 N3O3C8H17 A3B3C8D17 -114.85 3.44 -9.24 0.53 0
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182905 76953283 1 N3O3C14H21 A3B3C14D21 -93.39 3.16 -8.82 0.18 0
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182906 76953554 1 ON3C16H27 AB3C16D27 -27.27 2.64 -8.49 0.18 0
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182907 76953617 1 ClN3C14H22 AB3C14D22 11.84 2.27 -8.72 -0.3 0
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182908 76954147 1 ON5C10H15 AB5C10D15 41.96 3.72 -9.05 -1.34 0
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182909 76954148 1 ON2C9H18 AB2C9D18 -48.61 3.57 -9.22 0.71 0