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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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144961 53439873 1 NOCl2H5C9 ABC2D5E9 -6.57 1.26 -9.1 -1.22 0
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144962 53439874 2 ClNOH2C4 ABCD2E4 6.94 5.4 -9.34 -2.17 0
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144963 53440101 1 ON2C15H16 AB2C15D16 18.49 2.86 -8.47 -1.45 0
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144964 53440677 1 SO2C12H12 AB2C12D12 -45.39 5.55 -8.28 -0.5 0
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144965 53440930 1 NSO3C11H13 ABC3D11E13 -105.95 3.6 -9.53 -0.67 0
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144966 53441410 1 ClO3C12H15 AB3C12D15 -113.63 3.68 -9.41 -0.52 -1
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144967 53441501 1 SO3H5F8C13 AB3C5D8E13 -415.48 2.37 0.0 0.0 0
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144968 53441994 1 OF2N2H10C14 AB2C2D10E14 -77.98 8.05 -9.77 -1.54 0
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144969 53442008 1 INOSC15H20 ABCDE15F20 -4.68 15.17 -6.88 -2.26 0
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144970 53442488 1 N3O5C19H29 A3B5C19D29 -165.44 4.87 -8.67 -0.71 0
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144971 53442489 1 N3O4C28H41 A3B4C28D41 -221.38 6.29 -9.01 0.11 0
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144972 53442490 2 NO2C16H23 AB2C16D23 -243.2 0.63 -9.95 0.18 0
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144973 53442491 2 N2O2C17H26 A2B2C17D26 -231.82 5.82 -8.14 0.13 0
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144974 53442492 2 NO2C16H24 AB2C16D24 -258.82 5.43 -9.93 0.19 -1
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144975 53442912 1 O3C20H21 A3B20C21 -88.16 2.55 0.0 0.0 0
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144976 53442984 1 O2F5C15H17 A2B5C15D17 -340.77 2.64 -10.62 -1.2 0
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144977 53443050 1 TlF3 AB3 -53.13 5.4 -12.36 -3.43 0
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144978 53443412 1 ClNOC16H20 ABCD16E20 -41.71 3.59 -8.15 0.26 -1
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144979 53443694 1 F2O4C5H5 A2B4C5D5 -243.13 1.72 0.0 0.0 0
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144980 53444393 1 OCl2N2C13H18 AB2C2D13E18 -66.68 5.1 -9.61 -0.49 0
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144981 53444821 1 ClFSO2N3C10H11 ABCD2E3F10G11 -108.2 3.15 -9.23 -0.69 0
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144982 53445467 1 NSO2H9C11 ABC2D9E11 -27.58 4.12 -9.24 -1.07 0
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144983 53445562 1 FOSH9C11 ABCD9E11 -47.12 1.63 -8.94 -0.44 0
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144984 53445563 1 FSO2H9C12 ABC2D9E12 -87.86 6.59 -9.27 -1.26 0
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144985 53445564 1 FOSH9C11 ABCD9E11 -47.7 1.65 -8.83 -0.65 0