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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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176827 76102785 1 ClON4C17H21 ABC4D17E21 2.85 2.57 -9.18 -0.75 0
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176828 76102845 1 N3S3O12H35C41 A3B3C12D35E41 -221.45 5.37 -8.7 -2.23 0
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176829 76103022 1 Cl2N2O3H4C9 A2B2C3D4E9 -45.86 7.13 -10.35 -2.85 0
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176830 76104057 1 Cl2N4O5C33H44 A2B4C5D33E44 -162.41 6.03 -8.72 -0.21 0
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176831 76104058 1 FNO3C22H22 ABC3D22E22 -141.35 3.84 -9.51 -0.18 0
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176832 76104059 1 SO5C20H32 AB5C20D32 -236.43 5.07 -9.91 0.5 1
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176833 76104060 1 O4N8C30H35 A4B8C30D35 -31.28 3.54 0.0 0.0 1
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176834 76104380 1 S2N6O7C19H25 A2B6C7D19E25 -163.54 10.96 0.0 0.0 0
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176835 76104381 1 ClN2O4C14H17 AB2C4D14E17 -141.78 7.75 -9.66 -1.65 0
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176836 76104520 2 N2C5H5 A2B5C5 125.01 2.85 -8.49 -1.39 0
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176837 76104521 1 N5O5C37H49 A5B5C37D49 -194.3 8.82 -8.66 -0.6 0
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176838 76104522 1 SN2O5C18H22 AB2C5D18E22 -156.5 4.06 -9.15 0.02 0
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176839 76104523 1 NPO9C51H98 ABC9D51E98 -566.08 3.06 -9.37 -1.34 0
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176840 76104524 1 O7C12H22 A7B12C22 -330.36 2.46 -10.42 -0.77 0
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176841 76104525 1 ClO2N8C19H23 AB2C8D19E23 68.54 6.58 -9.04 -1.4 0
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176842 76104526 1 NSO3F4C8H11 ABC3D4E8F11 -346.02 2.74 -9.67 -0.8 0
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176843 76104527 1 O5C25H36 A5B25C36 -103.2 4.43 -9.1 0.33 1
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176844 76104528 1 N5O6C25H36 A5B6C25D36 -207.68 7.74 0.0 0.0 0
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176845 76104529 1 N3O9C38H45 A3B9C38D45 -304.23 1.44 -7.9 -1.91 0
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176846 76104785 1 N3O3C31H33 A3B3C31D33 -55.02 3.85 -8.4 -0.1 0
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176847 76104788 1 S4O5N9H13C16 A4B5C9D13E16 45.77 6.96 -9.31 -1.33 0
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176848 76104789 1 NO4C11H19 AB4C11D19 -175.21 2.98 -9.54 -0.31 0
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176849 76104790 1 S2N5O7C20H21 A2B5C7D20E21 -143.99 4.43 -9.1 -0.9 0
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176850 76104843 1 N3H25C28 A3B25C28 154.35 4.55 -8.83 -0.31 0
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176851 76105554 1 N3O7C14H17 A3B7C14D17 -185.97 7.33 -9.23 -1.44 0