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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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321419 126665986 1 OF3N5C29H30 AB3C5D29E30 -90.32 2.36 -9.04 -1.1 0
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321420 126665989 1 OF3N5H26C31 AB3C5D26E31 -13.71 6.94 -9.26 -1.42 0
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321421 126665990 1 FO2N3H8C12 AB2C3D8E12 -15.49 1.05 -9.5 -1.5 0
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321422 126665991 1 F3N4O4C18H19 A3B4C4D18E19 -272.13 1.37 -9.97 -1.48 0
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321423 126665993 1 F4N4O4H18C23 A4B4C4D18E23 -242.83 7.71 -9.14 -1.33 0
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321424 126665997 2 OF2N3C15H15 AB2C3D15E15 -147.15 8.26 -9.5 -0.96 0
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321425 126666010 1 SF4O4N6C40H44 AB4C4D6E40F44 -239.57 7.72 -8.65 -0.71 0
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321426 126666022 1 N4O6H12C15 A4B6C12D15 -57.8 3.75 -10.4 -2.04 0
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321427 126666024 1 FO2N3H12C14 AB2C3D12E14 -24.49 1.99 -9.54 -1.21 0
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321428 126666025 1 F4N5O5C31H35 A4B5C5D31E35 -381.12 4.49 -9.4 -1.19 0
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321429 126666028 1 O3N4H16C19 A3B4C16D19 30.59 2.37 -9.17 -1.39 0
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321430 126666029 1 O2F3N4H15C24 A2B3C4D15E24 -75.46 0.98 -9.15 -1.49 0
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321431 126666030 1 ClO2N5H14C18 AB2C5D14E18 64.51 3.6 -9.6 -1.67 0
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321432 126666031 1 ClO2N3H20C22 AB2C3D20E22 34.32 1.79 -9.51 -1.15 0
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321433 126666032 1 BrClO2N3H11C15 ABC2D3E11F15 42.18 1.7 -9.64 -1.51 0
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321434 126666033 1 ClN4O4H25C26 AB4C4D25E26 -42.02 6.11 -9.12 -1.18 0
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321435 126666034 1 F3O3N6H27C29 A3B3C6D27E29 -138.74 1.91 -8.6 -1.54 0
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321436 126666035 1 FNO4H8C12 ABC4D8E12 -120.17 4.29 -10.81 -2.16 0
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321437 126666038 4 NOC3H5 ABC3D5 -167.45 3.99 -10.04 -0.06 0
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321438 126666039 1 FNO5C15H16 ABC5D15E16 -240.53 7.84 -9.72 -0.57 0
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321439 126666040 1 ClN4O4H23C24 AB4C4D23E24 -47.32 4.94 -9.2 -1.22 0
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321440 126666041 1 F3N3O4H18C22 A3B3C4D18E22 -182.32 3.9 -8.6 -1.19 0
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321441 126666042 1 O3N4C20H20 A3B4C20D20 -14.69 7.13 -9.76 -1.1 0
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321442 126666047 1 BrClNO2H7C8 ABCD2E7F8 -69.81 2.16 -9.4 -2.5 0
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321443 126666050 1 ClN3O3H16C20 AB3C3D16E20 10.09 1.93 -9.14 -1.34 0
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321444 126666051 1 O4C9H12 A4B9C12 -162.76 3.54 -10.38 -0.74 0
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321445 126666054 1 ON5H9C15 AB5C9D15 133.77 7.84 -9.6 -2.38 0
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321446 126666055 1 SF3N6C13H13 AB3C6D13E13 -57.75 5.4 -8.78 -1.02 0
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321447 126666056 1 ClN3O4H18C21 AB3C4D18E21 -26.96 1.93 -8.45 -1.27 0
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321448 126666057 1 ClFO2N3H13C19 ABC2D3E13F19 -0.21 2.02 -9.45 -1.47 0
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321449 126666058 1 BrClO2N3H11C14 ABC2D3E11F14 13.88 2.36 -9.64 -1.45 0
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321450 126666061 1 ClN3O3H18C21 AB3C3D18E21 -11.05 2.68 -8.97 -1.3 1
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321451 126666062 1 ClF3N4H27C28 AB3C4D27E28 4.88 6.25 0.0 0.0 0
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321452 126666063 1 F3N3O4H20C23 A3B3C4D20E23 -187.42 4.26 -8.51 -1.2 0
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321453 126666068 1 BrClO2N3H11C14 ABC2D3E11F14 13.66 2.34 -9.63 -1.46 0
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321454 126666073 1 ClN3O4H20C22 AB3C4D20E22 -32.13 2.51 -8.4 -1.17 0
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321455 126666078 1 NO4C9H13 AB4C9D13 -127.64 2.19 -10.79 -0.87 0
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321456 126666079 1 O4N5C10H17 A4B5C10D17 -128.15 8.72 -10.54 -0.59 0
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321457 126666080 1 NO5C12H21 AB5C12D21 -268.33 3.34 -10.04 0.42 0
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321458 126666081 1 ClFO2N3H11C14 ABC2D3E11F14 -32.64 2.01 -9.63 -1.29 0
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321459 126666083 1 FON3C16H20 ABC3D16E20 -23.35 4.47 -8.22 -0.16 0
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321460 126666084 1 FON3C16H20 ABC3D16E20 -28.78 5.03 -8.56 -0.3 0
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321461 126666085 1 ClO2N3H14C19 AB2C3D14E19 47.49 2.01 -9.24 -1.33 0
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321462 126666086 1 BrN3O3H6C7 AB3C3D6E7 -27.55 2.44 -10.1 -1.7 0
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321463 126666089 1 BrNO2H18C20 ABC2D18E20 -11.41 3.41 -8.42 -0.39 0
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321464 126666091 1 FO2N3H12C14 AB2C3D12E14 -23.16 1.53 -9.5 -1.14 0
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321465 126666093 1 O2F3N3H12C15 A2B3C3D12E15 -139.02 2.19 -9.65 -1.29 0
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321466 126666094 1 F3N3O4H18C22 A3B3C4D18E22 -187.61 7.53 -9.01 -1.08 0
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321467 126666095 1 F3O3N4H17C22 A3B3C4D17E22 -157.32 5.69 -9.09 -1.33 0
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321468 126666098 1 ClN3O4H22C23 AB3C4D22E23 -38.19 1.78 -8.43 -1.15 0