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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39478 8140939 1 BrN2O2H19C20 AB2C2D19E20 -13.46 5.35 -9.17 -0.8 0
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39479 8140944 1 BrN2O3C16H23 AB2C3D16E23 -129.61 2.88 -8.94 -0.16 0
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39480 8140952 1 ClN2O2F3H14C17 AB2C2D3E14F17 -207.27 3.85 -8.95 -1.27 0
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39481 8140953 1 ClN2O2C19H21 AB2C2D19E21 -65.76 6.95 -8.76 -0.44 0
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39482 8140954 1 ClN2O3C18H19 AB2C3D18E19 -96.19 6.79 -8.75 -0.47 0
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39483 8140960 1 ClN2O2C18H19 AB2C2D18E19 -64.53 6.87 -8.76 -0.38 0
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39484 8140974 1 ClN2O4C20H23 AB2C4D20E23 -134.63 7.17 -8.74 -0.4 0
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39485 8140975 1 BrClN2O2H16C17 ABC2D2E16F17 -50.41 5.36 -8.86 -0.41 0
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39486 8140976 1 FCl2N2O2H13C16 AB2C2D2E13F16 -101.97 5.67 -8.84 -1.08 0
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39487 8140980 1 ClN2O4H17C18 AB2C4D17E18 -119.63 7.16 -8.76 -0.61 0
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39488 8140982 1 ClN2O3C16H17 AB2C3D16E17 -100.61 6.59 -8.75 -0.23 0
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39489 8140985 1 Cl2N2O3H16C17 A2B2C3D16E17 -90.32 6.84 -8.79 -0.49 0
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39490 8140988 1 BrClN2O3H16C17 ABC2D3E16F17 -82.81 3.78 -8.91 -0.46 0
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39491 8140990 1 ClN3O4H18C20 AB3C4D18E20 -118.61 7.06 -8.77 -1.56 0
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39492 8140992 1 ClSO2N3H14C17 ABC2D3E14F17 -16.84 5.71 -8.87 -1.43 0
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39493 8140993 1 ClSN3O4H12C14 ABC3D4E12F14 -43.68 5.44 -9.0 -2.3 0
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39494 8140995 1 ClN3O5H18C19 AB3C5D18E19 -151.21 3.39 -8.95 -0.83 0
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39495 8140999 1 ClN2O3C20H23 AB2C3D20E23 -106.54 7.1 -8.74 -0.31 0
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39496 8141000 1 ClN2O4C21H25 AB2C4D21E25 -140.57 8.14 -8.74 -0.47 0
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39497 8141009 1 SN2O5C19H26 AB2C5D19E26 -214.01 8.31 -8.82 -0.66 0
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39498 8141010 1 ClFN2O2H16C17 ABC2D2E16F17 -100.71 4.84 -8.85 -0.36 0
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39499 8141012 1 Cl2N2O3H16C17 A2B2C3D16E17 -95.4 5.4 -8.8 -0.86 0
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39500 8141041 1 Cl2N2O3H14C18 A2B2C3D14E18 -87.23 7.15 -9.66 -1.76 0
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39501 8141044 1 NCl2O3C17H17 AB2C3D17E17 -95.83 4.83 -8.74 -0.48 0
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39502 8141059 1 NCl2O2C17H17 AB2C2D17E17 -65.81 4.13 -9.25 -0.49 0