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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
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183057 76972972 1 ClNO2C7H8 ABC2D7E8 -99.76 4.75 -9.25 -0.92 0
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183060 76973661 1 O2N4C5H8 A2B4C5D8 -32.11 2.56 -10.43 -0.46 0
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183061 76973662 1 O2C5N5H9 A2B5C5D9 -30.79 2.9 -9.46 -0.32 0
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183062 76973791 1 S2N3O8C33H51 A2B3C8D33E51 -385.7 8.73 -8.58 -0.47 0
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183063 76973951 1 NO3C5H7 AB3C5D7 -132.24 2.9 -10.56 0.1 0
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183066 76974471 1 NOF3C17H18 ABC3D17E18 -161.01 3.72 -9.2 -0.34 0
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183068 76974522 1 NO2C3H3 AB2C3D3 -56.3 2.18 -11.77 -0.06 0
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183069 76974523 1 S2N7O7C41H55 A2B7C7D41E55 -224.06 7.29 -8.63 -0.28 0
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183073 76975144 1 SO2C9H16 AB2C9D16 -107.26 4.56 -8.85 -0.44 0
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183074 76975145 1 SO2C7H12 AB2C7D12 -93.25 5.32 -9.2 -0.43 0
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183075 76975352 1 O2N3C14H21 A2B3C14D21 -46.95 4.12 -8.9 0.05 0
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183076 76976040 1 OSN3C14H21 ABC3D14E21 40.96 2.21 -8.47 -1.6 0
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183077 76976252 1 OS2N4C10H10 AB2C4D10E10 114.19 2.47 -8.62 -1.7 0
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183078 76976293 1 O2N3F4C10H11 A2B3C4D10E11 -175.55 4.33 -8.73 -1.85 0
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183079 76976328 1 ON4C15H18 AB4C15D18 93.31 2.53 -8.44 -1.59 0
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183080 76976329 1 OSN4C13H16 ABC4D13E16 100.81 3.33 -8.49 -1.62 0
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183081 76976330 1 O2N4C13H20 A2B4C13D20 14.8 2.8 -8.45 -1.62 0
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183082 76976535 1 FOSN3H8C10 ABCD3E8F10 21.02 3.62 -9.74 -2.78 0
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183083 76976787 1 OSN3H9C10 ABC3D9E10 61.7 4.86 -9.36 -2.62 0
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183084 76976788 1 N2O3C12H14 A2B3C12D14 -66.55 6.33 -9.5 -1.1 0
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183085 76976789 1 N3O4C14H15 A3B4C14D15 -39.18 1.9 -9.91 -1.84 0
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183086 76976795 1 SF2O2N3H5C9 AB2C2D3E5F9 -64.1 3.76 -9.54 -2.63 0
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183087 76977201 1 N3O3C14H25 A3B3C14D25 -116.35 4.44 -9.08 0.6 0
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183088 76977254 1 ON4C15H22 AB4C15D22 -4.26 6.99 -8.67 -0.18 0
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183089 76977348 1 NOF3H10C13 ABC3D10E13 -127.59 7.57 -9.39 -1.52 0