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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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127778 51014782 1 FN3O4H24C27 AB3C4D24E27 -108.44 5.36 -8.2 -1.34 0
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127779 51014783 1 N2O4C17H20 A2B4C17D20 -163.04 4.99 -8.29 0.02 0
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127780 51014942 1 FNO4C21H26 ABC4D21E26 -171.25 5.29 -8.51 -0.13 0
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127781 51014991 1 O4C25H32 A4B25C32 -145.3 2.97 -9.48 0.76 0
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127782 51014992 2 OC7H9 AB7C9 -97.37 1.88 -8.68 0.41 0
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127783 51014993 1 N3O6C11H17 A3B6C11D17 -12.18 4.42 -9.66 -1.08 0
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127784 51015007 2 NO4C12H13 AB4C12D13 -287.63 3.24 -9.06 -1.17 0
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127785 51015024 1 INO3C17H20 ABC3D17E20 -99.77 2.61 -9.07 -0.98 0
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127786 51015029 1 NO3C17H17 AB3C17D17 61.61 6.84 -9.69 -1.34 0
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127787 51015223 2 N2C9H9 A2B9C9 141.95 1.65 -8.58 -0.73 0
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127788 51015261 1 SiCl2O4C12H20 AB2C4D12E20 -211.82 1.54 -9.63 -0.02 0
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127789 51015262 2 O3H6C7 A3B6C7 -207.47 2.6 -10.24 -1.14 0
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127790 51015273 1 NO11C44H57 AB11C44D57 -312.93 6.88 -8.02 -0.76 0
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127791 51015384 1 O5C26H42 A5B26C42 -296.51 5.2 -10.33 0.61 0
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127792 51015390 1 N3O4H13C14 A3B4C13D14 24.38 6.7 -6.1 -2.98 0
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127793 51015391 1 O7C16H28 A7B16C28 -340.25 5.46 -10.4 0.67 0
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127794 51015805 1 ClNO7C26H40 ABC7D26E40 -62.81 4.31 -8.45 -0.23 0
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127795 51015898 1 OSN3C12H17 ABC3D12E17 -9.49 3.01 -9.62 -1.12 0
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127796 51016000 1 N2O6C19H22 A2B6C19D22 -242.24 2.7 -9.84 -0.38 0
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127797 51016223 1 O4C15H24 A4B15C24 -201.45 6.06 -9.9 0.55 0
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127798 51016224 1 OC9H12 AB9C12 -39.49 3.43 -9.45 0.69 0
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127799 51016225 1 SO13C34H58 AB13C34D58 -632.77 8.11 -9.84 -1.07 0
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127800 51016226 1 IO37C51H77 AB37C51D77 -1585.47 6.95 -8.92 -1.21 0
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127801 51016227 1 SN2O5H18C21 AB2C5D18E21 -83.84 8.46 -8.7 -0.87 0
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127802 51016228 1 NOC15H21 ABC15D21 -34.74 4.22 -9.1 0.49 1
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127803 51016290 1 OSeC18H27 ABC18D27 -23.02 2.38 0.0 0.0 0
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127804 51016291 1 O3C32H50 A3B32C50 -187.2 5.79 -9.79 -0.65 0
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127805 51016301 1 N3O3C22H31 A3B3C22D31 -107.24 5.84 -8.22 -0.12 1
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127806 51016302 1 NC10H18 AB10C18 17.31 2.96 0.0 0.0 0
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127807 51016303 1 NC10H17 AB10C17 -14.93 1.61 -9.16 3.4 0
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127808 51016399 1 FN2O3C13H13 AB2C3D13E13 -41.41 8.81 -9.02 -1.17 0
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127809 51016505 1 NC8H13 AB8C13 0.48 1.79 -8.83 1.22 0
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127810 51016590 1 ClN2O4C21H27 AB2C4D21E27 -76.45 13.74 -8.41 -0.69 0
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127811 51016784 1 O3C11H16 A3B11C16 -120.04 2.4 -9.38 0.29 0
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127812 51016821 1 O3C15H20 A3B15C20 -26.52 7.94 -9.48 -0.49 0
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127813 51016886 1 N3O5C19H23 A3B5C19D23 -161.67 8.74 -9.21 -0.1 0
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127814 51017023 1 SN2O7C38H54 AB2C7D38E54 -260.62 13.69 -8.77 -0.41 0
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127815 51017242 1 BO2C14H21 AB2C14D21 -128.94 2.3 -9.36 0.39 0
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127816 51017265 1 SiO4C17H28 AB4C17D28 -210.58 4.26 -8.75 0.33 0
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127817 51017483 1 OC17H30 AB17C30 -98.09 1.95 -9.7 3.04 0
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127818 51017533 1 SO7C22H30 AB7C22D30 -286.98 5.29 -9.7 -0.79 0
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127819 51017598 1 NSO6H21C23 ABC6D21E23 -140.68 5.67 -9.45 -1.13 0
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127820 51017650 1 NSiO5C26H33 ABC5D26E33 -161.03 2.77 -9.26 -0.16 0
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127821 51017651 8 Si2O5C18H38 A2B5C18D38 -2777.31 6.28 -8.64 0.09 0
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127822 51017910 1 N3O10C35H49 A3B10C35D49 -144.86 5.23 -7.6 -0.58 0
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127823 51018164 1 NBr2O4H17C18 AB2C4D17E18 -138.65 5.44 -9.7 -1.08 0
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127824 51018346 1 IO5C20H31 AB5C20D31 -212.84 7.75 -9.74 -0.86 0
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127825 51018448 1 SCl2N4C26H36 AB2C4D26E36 6.92 8.56 -8.59 -0.58 0
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127826 51018690 1 SO6C13H14 AB6C13D14 -209.7 6.55 -9.78 -0.94 0
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127827 51018759 2 BrO3C7H9 AB3C7D9 -226.84 2.02 -10.02 -0.63 0
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127828 51018760 2 N3O4C10H14 A3B4C10D14 70.96 6.88 -9.66 -1.16 0
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127829 51018769 1 NO6H13C15 AB6C13D15 -190.64 4.82 -9.74 -1.12 0
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127830 51018770 1 NO5C10H15 AB5C10D15 -155.06 2.68 -9.54 0.61 0
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127831 51018786 1 NO2C25H25 AB2C25D25 -16.93 4.39 -8.4 0.16 0
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127832 51018787 2 OC7H11 AB7C11 -94.12 1.26 -9.65 0.78 0
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127833 51018841 1 NO2C17H23 AB2C17D23 -70.0 4.15 -8.32 -0.62 0
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127834 51018842 1 O2N4C27H36 A2B4C27D36 -61.1 4.59 -8.53 0.14 0
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127835 51018922 2 ON2C8H8 AB2C8D8 58.05 5.83 -9.23 -1.04 0
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127836 51018996 1 Cl2O3N5C36H37 A2B3C5D36E37 17.94 7.72 -8.74 -1.14 0
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127837 51018997 1 N2C9H10 A2B9C10 94.47 3.2 -8.9 0.71 0
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127838 51019017 4 OH3C4 AB3C4 -76.59 2.05 -9.59 -1.19 0
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127839 51019019 1 SO2F5C17H17 AB2C5D17E17 -275.53 3.36 -8.91 -0.63 0
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127840 51019230 1 O6C11H14 A6B11C14 -171.73 5.84 -9.6 -0.29 0
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127841 51019286 1 O8C31H36 A8B31C36 -273.69 5.12 -9.57 -0.13 0
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127842 51019343 2 OC10H16 AB10C16 -98.72 1.48 -9.71 1.08 0
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127843 51019344 1 O2N3C24H35 A2B3C24D35 -78.25 4.84 -9.09 -0.57 0
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127844 51019400 1 S14H28C31 A14B28C31 217.21 2.73 -7.65 -0.93 0
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127845 51019401 1 O3C17H24 A3B17C24 -152.63 2.65 -9.19 0.59 0
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127846 51019402 1 O2H16C17 A2B16C17 -47.08 2.76 -9.36 -0.07 0
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127847 51019403 6 OC3H4 AB3C4 -137.4 3.31 -9.95 -1.24 0
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127848 51019404 1 N2O7C32H34 A2B7C32D34 -177.25 4.63 -8.3 -0.55 0
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127849 51019405 2 O2C17H21 A2B17C21 -87.4 1.18 -8.99 0.52 0
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127851 51019407 1 N3O4C24H35 A3B4C24D35 -161.52 9.0 -8.91 -0.34 0
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127852 51019408 1 NO4C24H29 AB4C24D29 -88.51 3.16 -9.07 0.05 0
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127853 51019409 1 Cl2N5O5H19C21 A2B5C5D19E21 -79.65 9.29 -9.46 -2.26 0
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127854 51019410 1 O5C27H36 A5B27C36 -202.12 1.24 -9.46 -0.42 0
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127855 51019411 2 NC5H8 AB5C8 69.32 3.26 -10.29 -0.42 0
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127856 51019412 1 NO3C19H21 AB3C19D21 -70.33 3.5 -8.49 0.16 0
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127857 51019413 1 N2O3C28H28 A2B3C28D28 -61.54 4.73 -8.84 0.06 0
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127858 51019629 1 O3C10H12 A3B10C12 -103.67 6.4 -10.43 -0.1 0
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127859 51019655 1 N2O2H16C19 A2B2C16D19 -3.8 5.26 -9.04 -0.62 0
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127860 51020035 1 N3O7H29C31 A3B7C29D31 -204.09 5.15 -8.01 -0.8 0
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127863 51020164 1 NOF5H14C16 ABC5D14E16 -220.36 6.08 -9.38 -0.98 0
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127864 51020347 1 O2C15H22 A2B15C22 -100.1 2.0 -10.48 0.95 0
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127865 51020348 1 O21C53H76 A21B53C76 -1022.69 4.87 -9.41 0.42 0
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127866 51020349 1 ClN3O3C16H16 AB3C3D16E16 -38.41 3.5 -9.43 -0.89 0
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127867 51020350 2 C17H23 A17B23 11.28 0.82 -8.61 0.66 0
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127868 51020351 1 OC10H12 AB10C12 17.45 3.39 -9.77 0.85 0
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127869 51020352 1 F2N3O4H13C17 A2B3C4D13E17 -139.52 7.58 -9.93 -1.32 1
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127870 51020353 1 O2N3H16C21 A2B3C16D21 60.6 1.51 0.0 0.0 0
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127871 51020354 1 O2C11H14 A2B11C14 -64.3 2.33 -9.98 0.54 0
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127872 51020355 1 N3O3C16H19 A3B3C16D19 -41.14 2.23 -9.24 -1.78 0
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127873 51020356 1 NOC15H19 ABC15D19 -7.26 4.1 -9.56 0.46 0
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127874 51020375 1 N2O2C19H22 A2B2C19D22 -46.96 7.27 -8.75 -0.05 0
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127875 51020386 1 SO3C16H22 AB3C16D22 -64.21 2.49 -8.78 -0.28 0
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127876 51020420 1 ON2C18H20 AB2C18D20 85.87 2.04 -8.51 -0.67 0
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127877 51020491 1 NO5C17H19 AB5C17D19 -139.15 3.29 -10.54 -0.19 0
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127878 51020789 7 O5C13H16 A5B13C16 -1337.81 6.74 -9.41 -0.43 0
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127879 51020938 1 SN4O4C24H32 AB4C4D24E32 -167.63 6.58 -8.59 -0.41 0
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127880 51020962 1 SO2N3C18H21 AB2C3D18E21 -5.95 5.16 -9.4 -0.94 0