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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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23008 600872 1 O2C21H34 A2B21C34 -140.28 1.92 -9.29 0.91 0
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23009 600873 2 C7H12 A7B12 -60.96 0.14 -9.96 3.89 0
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23010 600874 1 ClO4C19H19 AB4C19D19 -131.3 3.92 -9.3 -0.99 0
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23011 600875 1 ClNO2C17H18 ABC2D17E18 -36.67 5.86 -8.57 -0.49 0
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23012 600876 1 O6H40C43 A6B40C43 -135.98 6.67 -8.58 -0.55 0
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23013 600877 1 NO4C19H21 AB4C19D21 -134.41 3.96 -9.02 -0.58 0
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23014 600878 1 FeCl2P2C10H24 AB2C2D10E24 -152.59 11.5 -9.03 -0.46 0
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23015 600879 1 ClNO2C19H22 ABC2D19E22 -70.2 2.73 -9.17 -0.21 0
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23016 600880 1 O2C13H18 A2B13C18 -46.62 2.08 -8.72 0.24 0
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23017 600882 1 N2O3C19H22 A2B3C19D22 -100.79 6.16 -8.24 -0.3 0
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23018 600883 1 N2S2H14C15 A2B2C14D15 75.52 5.21 -8.84 -0.76 0
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23019 600884 1 NS2H13C19 AB2C13D19 107.31 2.99 -8.6 -0.97 0
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23020 600885 1 BClO2C10H14 ABC2D10E14 -128.18 1.93 -9.53 -0.61 0
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23021 600886 1 O3C14H16 A3B14C16 -86.85 4.56 -9.95 -0.44 0
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23022 600889 2 O2C6H7 A2B6C7 -166.56 4.34 -10.34 -0.71 0
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23023 600921 1 FeO2F3H7C13 AB2C3D7E13 -51.99 2.82 -8.43 -0.31 -6
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23024 600937 2 C7H12 A7B12 -32.46 0.08 -8.63 1.58 0
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23025 600941 1 OSN2C10H12 ABC2D10E12 -11.03 3.16 -8.65 -0.48 0
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23026 600973 4 OC3H4 AB3C4 -165.78 1.07 -9.24 -0.41 0
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23027 600984 1 SN2C10H12 AB2C10D12 53.45 2.47 -8.85 -0.38 0
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23028 600997 1 ClOC12H17 ABC12D17 -60.25 1.62 -8.89 0.01 0
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23029 601000 1 Cl3C13H15 A3B13C15 -23.78 1.19 -9.28 -0.39 0
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23030 601016 1 OSC14H18 ABC14D18 -20.41 2.2 -8.81 -0.86 0
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23031 601090 2 O3C7H8 A3B7C8 -245.53 3.28 -9.26 -0.13 0
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23032 601158 1 NSO4H9C12 ABC4D9E12 -104.54 2.8 -9.09 -1.34 0
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23033 601159 1 ClN2H7C9 AB2C7D9 52.5 3.13 -8.86 -0.18 0
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23034 601192 1 SiO2C11H14 AB2C11D14 -83.6 6.22 -9.7 -0.68 0
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23035 601207 1 O3C10H10 A3B10C10 -110.88 6.24 -8.91 -0.66 0
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23036 601280 1 SO2H6C9 AB2C6D9 -40.44 5.15 -9.29 -1.16 0
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23037 601287 2 OC12H17 AB12C17 -100.69 2.05 -8.51 0.33 0
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23038 601294 1 SSeC5H6 ABC5D6 37.48 1.38 -8.52 -0.38 0
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23039 601300 1 SiO2C11H14 AB2C11D14 -83.92 5.58 -9.63 -0.56 0
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23040 601307 1 OC15H24 AB15C24 -69.33 3.78 -9.41 0.88 0
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23041 601308 1 OSC12H18 ABC12D18 -41.73 3.63 -8.67 -0.2 0
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23042 601310 2 OH12C15 AB12C15 9.49 1.81 -8.46 -0.23 0
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23043 601311 2 H6C7 A6B7 140.23 0.29 -8.79 0.17 0
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23044 601312 1 N2O4H16C19 A2B4C16D19 -118.77 1.96 -8.93 -0.72 0
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23045 601313 1 O3H24C34 A3B24C34 56.1 5.27 -9.1 -0.72 0
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23046 601334 1 OSN2C18H20 ABC2D18E20 18.07 2.05 -8.36 -0.09 0
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23047 601342 1 N2O7C36H40 A2B7C36D40 -271.63 1.9 -8.78 -0.33 0
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23048 601348 2 H5C8 A5B8 282.11 0.01 -8.97 -1.25 -4
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23049 601365 1 NO4H17C25 AB4C17D25 -88.09 1.61 -9.52 -0.84 0
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23051 601388 4 H4C5 A4B5 64.33 0.37 -9.07 0.26 0
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23052 601389 1 BrH11C14 AB11C14 61.69 2.1 -9.0 -0.65 0
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23053 601471 1 N2O5H10C15 A2B5C10D15 1.32 9.68 -10.85 -1.76 0
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23055 601475 2 H5C7 A5B7 59.49 0.0 -8.37 -0.96 -4
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23056 601477 1 ClN6C14H17 AB6C14D17 67.58 4.27 -8.68 -0.43 0
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23057 601478 1 N2O2F4H12C13 A2B2C4D12E13 -246.56 5.91 -8.83 -0.66 0
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23058 601482 1 ClN2O3H15C18 AB2C3D15E18 -19.0 6.05 -8.97 -0.72 0
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23059 601483 1 SF3N3O3C15H16 AB3C3D3E15F16 -238.16 6.05 -9.09 -0.96 0