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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413991 135086944 2 NOC8H11 ABC8D11 -40.21 8.38 -8.16 -0.37 0
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413992 135086945 1 BrN2O2C26H29 AB2C2D26E29 16.36 5.59 -8.33 -0.3 0
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413993 135086946 1 BrN2O2C27H29 AB2C2D27E29 9.65 3.74 -8.39 -0.76 0
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413994 135086947 1 ON3H19C21 AB3C19D21 38.01 6.12 -8.47 -0.67 1
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413995 135086948 1 N4C15H15 A4B15C15 139.99 4.39 0.0 0.0 1
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413996 135086949 1 N4H17C19 A4B17C19 148.93 4.24 0.0 0.0 0
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413997 135086950 1 ClSO2N3H14C16 ABC2D3E14F16 19.68 9.3 -8.73 -1.12 0
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413998 135086951 1 ON2C12H12 AB2C12D12 56.8 1.96 -8.21 -0.62 0
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413999 135086952 1 N3C20H23 A3B20C23 92.66 2.38 -8.16 -0.52 0
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414000 135086953 2 NC8H9 AB8C9 92.42 2.7 -8.2 -0.5 0
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414001 135086954 2 NOH12C14 ABC12D14 18.31 1.93 -8.62 -0.47 0
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414002 135086955 1 PN2O3C15H21 AB2C3D15E21 -163.06 2.08 -8.35 0.02 0
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414003 135086956 1 N2O3C14H18 A2B3C14D18 -93.76 3.02 -8.07 -0.06 0
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414004 135086957 1 FN2O2C13H15 AB2C2D13E15 -103.69 4.16 -8.6 -0.19 0
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414005 135086958 2 NO2H3C5 AB2C3D5 -16.96 8.26 -9.84 -1.66 0
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414006 135086959 1 O3C16H22 A3B16C22 -117.01 3.18 -8.33 0.01 0
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414007 135086960 1 SO2N4H14C16 AB2C4D14E16 42.72 3.08 -8.57 -0.82 0
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414008 135086961 1 OCl2H10C15 AB2C10D15 28.92 3.37 -9.5 -0.56 0
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414009 135086962 1 O2N3C26H33 A2B3C26D33 -21.48 6.66 -8.46 -0.43 0
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414010 135086963 2 N2O2C9H10 A2B2C9D10 -70.05 5.54 -9.01 -1.02 0
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414011 135086964 1 ClSO2N4C15H15 ABC2D4E15F15 -13.56 5.19 -9.12 -1.14 0
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414012 135086965 1 ClSO3N4C17H19 ABC3D4E17F19 -66.64 4.73 -9.07 -1.19 0
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414013 135086966 1 N2O3H22C26 A2B3C22D26 19.18 3.83 -8.17 -0.82 0
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414014 135086967 1 NO4C11H19 AB4C11D19 -210.72 6.75 -10.2 0.34 0
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414015 135086968 1 NOC12H13 ABC12D13 20.36 1.9 -9.92 -0.66 0