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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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181798 76793816 1 O5N6C32H36 A5B6C32D36 -126.57 2.56 -8.73 -0.54 0
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181799 76793817 1 N5O6C37H49 A5B6C37D49 -239.48 9.34 -8.53 -0.59 -2
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181800 76793861 2 LiO2H7C10 AB2C7D10 -90.34 8.97 -6.71 -0.97 0
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181801 76794199 1 SF3O3N4C29H31 AB3C3D4E29F31 -215.22 5.87 -8.78 -1.2 0
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181802 76794409 1 BrO3N5C23H28 AB3C5D23E28 -74.28 7.76 -8.64 -0.98 0
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181803 76794478 1 N2O3C22H22 A2B3C22D22 -58.72 5.26 -9.0 -1.11 0
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181804 76794479 1 NO2C21H31 AB2C21D31 -94.61 1.85 -8.58 0.35 0
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181805 76795532 1 O5C31H50 A5B31C50 -285.53 4.14 -9.61 1.0 0
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181806 76795533 1 N2O7C40H60 A2B7C40D60 -333.17 5.17 -9.36 -0.54 0
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181807 76795594 1 NO5C30H49 AB5C30D49 -270.9 4.99 -9.52 0.75 0
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181808 76795744 1 NO3C9H19 AB3C9D19 -171.89 3.4 -10.06 0.64 0
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181809 76796945 1 O22N23C79H121 A22B23C79D121 -847.82 15.24 -8.9 -0.82 0
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181810 76797284 1 O3S3N4H14C18 A3B3C4D14E18 -24.98 8.35 -8.76 -1.57 0
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181811 76797285 1 SO2N5H17C22 AB2C5D17E22 71.45 11.97 -8.94 -2.03 0
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181812 76797886 1 FPN2O8C23H30 ABC2D8E23F30 -434.7 4.82 -9.63 -0.59 0
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181813 76797887 1 ClFON4C13H16 ABCD4E13F16 -47.9 7.57 -9.72 -1.03 0
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181814 76798633 1 ClO4N5C23H28 AB4C5D23E28 -134.67 2.21 -9.06 -0.46 0
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181815 76798634 1 Cl3O3N5C23H26 A3B3C5D23E26 -58.1 4.53 -9.68 -0.53 0
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181816 76798635 1 O2Cl3N7C24H30 A2B3C7D24E30 -12.23 3.63 -9.44 -0.49 0
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181817 76798636 1 ClO3N4C26H35 AB3C4D26E35 -117.37 3.07 -9.26 -0.45 1
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181818 76798637 1 ClO2F6N8H20C22 AB2C6D8E20F22 -255.66 1.32 0.0 0.0 0
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181819 76798762 1 ClO3N5C20H22 AB3C5D20E22 -27.03 3.54 -9.7 -0.39 0
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181820 76798763 1 ClO2N5C26H34 AB2C5D26E34 -41.94 4.55 -9.11 -0.43 0
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181821 76798764 1 ClO3N5C22H26 AB3C5D22E26 -35.0 3.55 -9.52 -0.65 0
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181822 76798818 2 ON2C14H21 AB2C14D21 -84.2 6.63 -7.82 0.39 0