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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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413007 135085951 1 N4O5C15H28 A4B5C15D28 -157.37 6.83 -9.58 -0.19 0
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413008 135085952 1 N2O3C22H26 A2B3C22D26 -76.72 2.25 -9.12 -0.57 0
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413009 135085953 1 N2O3C19H28 A2B3C19D28 -112.56 4.14 -8.83 -0.62 0
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413010 135085954 2 NOC6H6 ABC6D6 4.63 1.17 -9.2 -0.8 1
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413011 135085955 1 N2O2C12H13 A2B2C12D13 14.33 4.15 0.0 0.0 0
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413012 135085956 2 N2C6H7 A2B6C7 136.73 4.9 -8.28 -0.06 0
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413013 135085957 1 SO2N4H22C29 AB2C4D22E29 157.45 6.03 -8.6 -0.68 0
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413014 135085958 2 OC6H12 AB6C12 -136.74 2.62 -9.7 1.2 0
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413015 135085959 1 SN2O3H22C25 AB2C3D22E25 -24.17 5.98 -8.75 -0.67 0
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413016 135085960 1 FNSiC12H20 ABCD12E20 -81.98 3.08 -8.6 0.15 0
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413017 135085961 1 NF2H5C9 AB2C5D9 -28.6 4.24 -10.02 -0.89 0
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413018 135085962 1 SF2O3H12C15 AB2C3D12E15 -163.41 6.47 -8.95 -0.85 0
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413019 135085963 1 O3C13H22 A3B13C22 -148.01 3.94 -10.04 0.32 0
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413020 135085964 1 NOC14H15 ABC14D15 -14.57 3.72 -8.79 -0.91 0
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413021 135085965 1 BrNSO2H16C22 ABCD2E16F22 16.2 4.25 -8.92 -1.1 0
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413022 135085966 1 NSO3C12H17 ABC3D12E17 -92.17 6.24 -9.56 -0.38 0
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413023 135085967 1 NSO3C13H19 ABC3D13E19 -98.81 6.38 -9.62 -0.41 0
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413024 135085968 1 OH14C17 AB14C17 17.31 1.78 -8.75 -0.82 0
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413025 135085969 1 OF3H15C22 AB3C15D22 -106.68 4.3 -9.58 -0.99 0
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413026 135085970 1 O2F3H13C17 A2B3C13D17 -171.25 5.34 -9.5 -0.84 0
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413027 135085971 1 SN2O2H18C19 AB2C2D18E19 9.2 4.72 -9.35 -0.94 0
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413028 135085972 1 SN2O4C15H16 AB2C4D15E16 -103.76 5.64 -9.54 -0.84 0
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413029 135085973 1 O5C15H18 A5B15C18 -194.02 2.47 -9.68 -0.4 0
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413030 135085974 1 ClNOF3H9C11 ABCD3E9F11 -181.54 4.8 -9.71 -0.69 0
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413031 135085975 1 ClNOF3H9C11 ABCD3E9F11 -181.06 3.29 -9.6 -0.51 0
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413032 135085976 1 IO3H19C20 AB3C19D20 28.97 9.0 -8.74 -2.94 0
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413033 135085977 1 ClOSH13C18 ABCD13E18 94.54 2.12 -8.75 -0.4 0
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413034 135085978 1 FOSeH13C18 ABCD13E18 62.91 3.14 -8.7 -0.42 0
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413035 135085979 1 OSC20H28 ABC20D28 2.81 3.95 -8.51 -0.23 0
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413036 135085980 1 OSeC20H28 ABC20D28 -26.49 2.17 -8.2 -0.01 0
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413037 135085981 1 OC19H20 AB19C20 35.07 2.6 -9.32 0.22 0
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413038 135085982 1 OH16C18 AB16C18 53.97 1.97 -9.39 0.11 0
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413039 135085983 1 NO2C13H13 AB2C13D13 -21.29 5.46 -9.11 -0.09 0
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413040 135085984 1 PSiN4O13C47H59 ABC4D13E47F59 -575.79 9.32 -8.93 -0.38 0
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413041 135085985 1 PSiN4O13C47H59 ABC4D13E47F59 -577.78 8.03 -9.01 -0.55 0
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413042 135085986 1 PO2F6H9C14 AB2C6D9E14 -398.96 1.87 -10.62 -1.25 0
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413043 135085987 1 O3C11H16 A3B11C16 -89.6 2.92 -9.91 -0.04 0
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413044 135085988 1 NOSF3H12C17 ABCD3E12F17 -133.03 5.12 -9.12 -1.01 0
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413045 135085989 1 NSO2H15C17 ABC2D15E17 -12.91 5.51 -8.71 -0.48 0
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413046 135085990 1 ClN2O2C11H11 AB2C2D11E11 -16.84 1.56 -8.84 -0.86 0
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413047 135085991 1 PF2O3C16H17 AB2C3D16E17 -243.41 4.16 -9.28 -0.29 0
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413048 135085992 1 PF2O3C16H17 AB2C3D16E17 -247.12 5.25 -9.44 -0.25 0
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413049 135085993 1 O3C16H20 A3B16C20 -113.81 5.76 -9.69 -0.64 0
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413050 135085994 1 ClO3H15C21 AB3C15D21 -44.21 1.32 -9.69 -0.82 0
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413051 135085995 1 FNO3C12H14 ABC3D12E14 -120.04 1.57 -9.84 -0.86 0
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413053 135085997 1 N3O6C33H35 A3B6C33D35 -204.41 8.18 -8.55 -0.82 0
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413054 135085998 1 BrN2O8H33C34 AB2C8D33E34 -234.61 6.3 -8.21 -0.68 0
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413055 135085999 1 BrF3O3H10C13 AB3C3D10E13 -246.46 3.32 -10.25 -1.31 0
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413056 135086000 2 O2C7H9 A2B7C9 -154.82 0.68 -9.18 -0.52 0
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413057 135086001 1 O3C14H16 A3B14C16 -104.79 3.28 -9.54 -0.28 1