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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
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181823 76799015 1 NO2C9H13 AB2C9D13 -57.18 2.37 -9.09 0.25 0
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181824 76799249 1 NOC15H25 ABC15D25 -52.66 3.36 -8.69 0.42 0
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181825 76799250 1 N4O7C32H44 A4B7C32D44 -286.12 8.37 -8.91 -0.26 1
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181826 76799444 1 SN2O4C38H41 AB2C4D38E41 -34.43 7.68 0.0 0.0 1
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181827 76799445 1 SN2O2C44H53 AB2C2D44E53 -9.79 5.01 0.0 0.0 0
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181828 76799622 1 NO5C24H27 AB5C24D27 -200.61 3.34 -9.15 -0.17 0
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181829 76800160 1 O3C23H32 A3B23C32 -84.07 7.22 -8.58 -0.28 0
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181830 76800363 2 NO3C16H22 AB3C16D22 -221.38 4.4 -9.52 -1.65 0
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181831 76800364 2 NO3C18H24 AB3C18D24 -253.74 7.12 -8.6 -0.54 0
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181832 76800365 1 FN2O6C31H43 AB2C6D31E43 -300.2 3.87 -9.77 -2.05 0
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181833 76800366 2 NO3C16H23 AB3C16D23 -256.6 5.95 -8.53 -0.29 0
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181834 76800810 1 O3N4C28H36 A3B4C28D36 -39.46 8.83 -8.28 -0.27 0
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181835 76800838 1 N3O3C26H31 A3B3C26D31 -51.83 4.35 -8.54 -0.37 0
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181836 76801210 1 SF4N4H20C23 AB4C4D20E23 -111.43 5.83 -8.99 -1.34 0
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181837 76801211 1 SO2F3N5H22C24 AB2C3D5E22F24 -129.99 3.51 -9.27 -1.62 0
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181838 76801580 1 NSO3C35H47 ABC3D35E47 -85.92 5.48 -8.17 -0.84 0
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181839 76801875 2 O3N4C21H27 A3B4C21D27 -177.83 6.08 -8.9 -0.86 0
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181840 76802302 2 O2N3C25H27 A2B3C25D27 -36.32 4.18 -8.7 -0.59 0
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181841 76802303 1 BN2O4C28H33 AB2C4D28E33 -184.61 3.48 -8.73 -0.42 0
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181842 76802304 1 BrFN2O2H20C22 ABC2D2E20F22 -53.35 1.18 -9.11 -0.92 0
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181843 76802356 1 PO10C43H79 AB10C43D79 -634.73 3.17 -9.55 0.06 0
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181844 76802480 1 SN6O11C38H46 AB6C11D38E46 -379.03 6.88 -9.11 -0.74 0
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181845 76802481 1 O4N5C25H35 A4B5C25D35 -163.61 4.64 -8.88 0.02 0
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181846 76802482 1 FSN4O10C34H41 ABC4D10E34F41 -404.58 7.59 -9.67 -0.33 0
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181847 76802577 1 N5O6C30H43 A5B6C30D43 -269.37 3.73 -8.85 -0.14 0