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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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142026 52969497 1 SN2O3C20H22 AB2C3D20E22 -83.08 3.75 -8.86 -1.29 0
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142027 52969498 1 SN2O3C20H22 AB2C3D20E22 -82.05 3.61 -8.84 -1.29 0
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142028 52969589 1 SN2O2C15H26 AB2C2D15E26 -104.11 6.57 -9.1 -0.1 0
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142029 52969666 1 FSN2O4C19H25 ABC2D4E19F25 -175.93 4.07 -8.21 -0.72 0
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142030 52970221 1 SN3O4C14H17 AB3C4D14E17 -90.87 3.6 -9.57 -0.62 0
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142031 52970375 1 S2N3O4C20H25 A2B3C4D20E25 -103.81 6.34 -8.85 -1.2 0
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142032 52970376 1 S2N3O4C21H27 A2B3C4D21E27 -111.42 4.47 -8.8 -1.16 0
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142033 52970424 1 FN2S2O4C18H23 AB2C2D4E18F23 -188.49 8.58 -9.02 -0.53 0
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142034 52970516 1 S2N3O5C18H19 A2B3C5D18E19 -38.15 8.11 -9.56 -0.95 1
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142035 52970718 1 S2O3N5C19H26 A2B3C5D19E26 -83.21 3.33 0.0 0.0 1
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142036 52970859 1 SN4O4C22H29 AB4C4D22E29 -142.77 6.92 0.0 0.0 1
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142037 52970860 1 SN4O4C23H31 AB4C4D23E31 -152.71 7.43 0.0 0.0 1
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142038 52970861 1 SO3N4C22H29 AB3C4D22E29 -100.29 4.82 0.0 0.0 1
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142039 52970862 1 SO2N4C21H29 AB2C4D21E29 -68.2 6.35 0.0 0.0 1
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142040 52971120 1 SO3N4C22H31 AB3C4D22E31 -105.62 1.48 0.0 0.0 1
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142041 52971220 1 SO2N4C22H23 AB2C4D22E23 -26.88 6.52 0.0 0.0 1
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142042 52971275 1 SN3O4C22H24 AB3C4D22E24 -109.21 3.28 0.0 0.0 1
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142043 52971343 1 ClSN3O3C21H21 ABC3D3E21F21 -71.86 3.18 0.0 0.0 1
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142044 52971480 1 SN2O2H21C23 AB2C2D21E23 -2.12 3.67 0.0 0.0 0
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142045 52971632 1 N4O4C21H22 A4B4C21D22 -71.06 5.28 -8.56 -1.39 1
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142046 52971922 1 SN3O4C19H24 AB3C4D19E24 -146.31 6.21 0.0 0.0 0
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142047 52972179 1 FN2S2O3C20H25 AB2C2D3E20F25 -139.37 4.66 -8.76 -0.47 0
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142048 52972338 1 SN2O2C22H26 AB2C2D22E26 -44.09 6.61 -8.6 -0.26 0
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142049 52972478 1 Cl2N2O3C17H18 A2B2C3D17E18 -105.05 3.62 -9.13 -0.97 0
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142050 52972628 1 FSO3N4C16H17 ABC3D4E16F17 -76.49 7.68 -9.74 -0.97 0
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142051 52972756 1 O3N4C17H18 A3B4C17D18 -13.53 1.76 -9.41 -1.07 0
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142052 52973462 1 O3N5C20H23 A3B5C20D23 -43.43 5.96 -8.94 -0.46 0
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142053 52973463 1 SN4O4C18H20 AB4C4D18E20 -76.44 7.02 -9.57 -1.18 0
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142054 52973510 1 O4N5C20H27 A4B5C20D27 -131.51 6.31 -8.34 -0.34 0
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142055 52973775 1 N3O6C20H25 A3B6C20D25 -168.37 8.04 -8.18 -0.71 0
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142056 52974498 1 N3O4C23H27 A3B4C23D27 -140.8 6.41 -9.25 -0.8 0
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142057 52974804 1 ClSO2N4H19C20 ABC2D4E19F20 8.26 3.15 -8.68 -1.76 0
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142058 52975387 1 N3O4C20H23 A3B4C20D23 -101.2 2.92 -8.9 -0.19 0
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142059 52975511 1 FO2N3C18H20 AB2C3D18E20 -66.32 2.62 -8.85 -0.23 0
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142060 52975512 1 ClN3O3C19H20 AB3C3D19E20 -55.86 4.17 -8.71 -0.53 0
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142061 52975513 1 ClSN3O4C13H18 ABC3D4E13F18 -126.25 3.66 -8.59 -0.39 0
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142062 52975514 1 ClFSO2N4C16H24 ABCD2E4F16G24 -97.83 3.2 -8.82 -0.43 0
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142063 52975515 1 FSO2N5C16H22 ABC2D5E16F22 -59.87 0.88 -8.86 -0.33 0
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142064 52975648 1 N3O4H17C19 A3B4C17D19 -94.51 3.2 -8.78 -0.73 0
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142065 52975649 1 ClSN3C16H20 ABC3D16E20 62.05 2.63 -8.86 -0.03 0
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142066 52975650 1 SO2N5C18H19 AB2C5D18E19 16.15 0.93 -9.1 -1.14 0
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142067 52975651 1 ClFO2N4C18H18 ABC2D4E18F18 -77.57 5.94 -8.75 -0.57 0
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142068 52975652 1 O2N5C19H23 A2B5C19D23 0.01 2.68 -8.42 -0.4 0
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142069 52975676 1 N3O3C22H27 A3B3C22D27 -93.21 2.95 -8.62 -0.56 0
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142070 52975828 1 FON3C18H20 ABC3D18E20 -27.72 0.78 -9.05 -0.27 0
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142071 52976510 2 ON3C10H11 AB3C10D11 11.31 8.23 -9.04 -0.32 0
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142072 52976651 1 SO4N5C25H35 AB4C5D25E35 -98.37 9.67 -8.32 -0.48 0
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142073 52976652 1 SN3O4C21H27 AB3C4D21E27 -124.63 6.4 -9.52 -0.57 0
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142074 52976653 2 ON2C9H12 AB2C9D12 -29.9 3.05 -8.77 0.01 0
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142075 52976890 1 OSN3C18H19 ABC3D18E19 26.03 8.04 -9.3 -0.8 0