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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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183024 76970331 1 I3N3O12C20H26 A3B3C12D20E26 -454.31 7.04 -9.83 -1.87 0
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183025 76970512 4 C13H20 A13B20 -82.86 1.35 -8.68 -0.33 0
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183027 76970753 8 OC4H7 AB4C7 -411.21 3.95 -9.55 0.64 0
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183030 76971068 1 ClNO3C15H18 ABC3D15E18 -127.51 4.04 -9.07 -0.05 0
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183031 76971069 1 ClNO3C15H18 ABC3D15E18 -128.82 3.88 -9.24 -0.25 0
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183032 76971070 2 ClNO3C15H18 ABC3D15E18 -259.85 4.8 -9.15 -0.38 0
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183033 76971071 4 NOC3H5 ABC3D5 -203.24 3.37 -10.45 -0.35 0
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183034 76971072 4 NSO2C3H6 ABC2D3E6 -352.15 7.91 -9.27 -2.14 0
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183035 76971073 2 ON2H13C14 AB2C13D14 17.96 6.42 -9.83 -0.51 0
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183036 76971074 2 ON2H13C14 AB2C13D14 19.16 1.63 -9.79 -0.51 0
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183037 76971075 2 ON2H13C14 AB2C13D14 15.35 6.21 -9.52 -0.67 0
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183038 76971076 6 ON2H13C14 AB2C13D14 101.56 10.2 -8.58 -0.78 0
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183043 76971081 1 NaSO5C18H19 ABC5D18E19 -212.51 9.32 -9.65 -1.2 0
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183044 76971082 1 SO5C18H20 AB5C18D20 -160.48 8.47 -9.66 -1.09 0
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183045 76971083 1 NaSO5C18H19 ABC5D18E19 -201.52 8.03 -9.57 -0.83 0
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183046 76971084 1 SO5C18H20 AB5C18D20 -160.8 4.99 -10.12 -1.0 0
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183048 76971086 2 N2O2C11H14 A2B2C11D14 -156.94 9.6 -9.37 -0.52 0
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183049 76971163 2 NO2C21H41 AB2C21D41 -327.59 4.46 -9.51 0.85 0
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183050 76971931 1 ClSO3N5C21H24 ABC3D5E21F24 -44.64 3.67 -9.44 -1.31 0
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183051 76972028 2 ClSN2O4C17H27 ABC2D4E17F27 -401.86 9.27 -8.72 -0.88 0
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183052 76972069 1 S3N8O9C22H22 A3B8C9D22E22 -167.97 7.41 -9.11 -1.2 0
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183053 76972070 2 NaSC3O4H7 ABC3D4E7 -467.01 13.94 -9.58 0.11 0
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183054 76972536 1 NO4C11H13 AB4C11D13 -131.78 4.63 -8.71 -0.04 1
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183055 76972648 1 K A 21.42 0.0 0.0 0.0 0
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183056 76972971 1 BrO2N3H14C16 AB2C3D14E16 24.48 7.46 -8.57 -1.05 0