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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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10748 107568 2 OC9H16 AB9C16 -106.87 4.72 -9.5 0.7 0
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10750 107571 2 O2C7H9 A2B7C9 -148.44 1.81 -8.79 -0.82 0
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10751 107572 1 N2O8C21H26 A2B8C21D26 -310.14 4.55 -9.69 -1.02 0
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10752 107573 1 N2O5C14H18 A2B5C14D18 -202.91 4.86 -9.68 -0.19 0
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10753 107574 1 N3C18H19 A3B18C19 95.36 2.99 -7.98 -0.65 0
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10754 107576 1 NaSO3C18H35 ABC3D18E35 -174.9 9.6 -9.25 -0.39 0
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10755 107589 1 ICl2N3C19H20 AB2C3D19E20 65.64 20.68 -6.78 -1.72 0
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10756 107625 1 N3O4C21H31 A3B4C21D31 -138.76 4.42 -9.94 -0.69 0
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10757 107640 1 N2O10C37H50 A2B10C37D50 -413.92 5.54 -8.73 -0.9 0
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10758 107725 1 SN5O10C25H29 AB5C10D25E29 -300.12 6.49 -9.17 -1.71 0
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10759 107757 1 N3O6C34H60 A3B6C34D60 -328.01 6.63 0.0 0.0 1
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10760 107774 1 FSCl2N3O4C30H40 ABC2D3E4F30G40 -225.48 5.81 -8.46 -0.31 0
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10761 107784 1 SO5N6C16H25 AB5C6D16E25 -166.18 4.7 0.0 0.0 1
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10762 107789 1 ClNO4C20H24 ABC4D20E24 -141.38 6.94 -8.75 -0.24 0
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10763 107790 5 NC3H3 AB3C3 130.57 4.28 -8.13 -0.82 0
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10764 107797 1 S2N5O8C21H25 A2B5C8D21E25 -299.33 3.55 -9.76 -0.84 0
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10765 107801 3 O2C3H6 A2B3C6 -310.46 7.42 -10.46 -0.22 0
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10766 107802 1 O3C5H10 A3B5C10 -155.25 6.39 -10.85 0.77 0
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10767 107803 1 NO4C21H25 AB4C21D25 -57.3 13.62 -8.31 -0.22 0
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10768 107806 1 P2O8H36C39 A2B8C36D39 -317.59 2.67 -9.33 -0.25 0
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10769 107815 1 CrHO4 ABC4 -136.62 2.75 0.0 0.0 -1
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10770 107816 1 NSO3C12H15 ABC3D12E15 -113.47 6.67 -9.14 -0.23 0
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10771 107822 1 NO4C27H35 AB4C27D35 -179.88 4.14 -8.22 0.25 0
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10772 107825 1 O8C23H34 A8B23C34 -352.74 3.17 -9.32 0.62 0
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10773 107826 1 SC14H14 AB14C14 35.07 2.07 -8.14 -0.4 0
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10774 107834 1 O8C27H32 A8B27C32 -238.32 7.73 -9.55 -1.12 0
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10775 107852 1 N4O5C34H34 A4B5C34D34 4.73 9.56 -8.53 -1.32 0
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10776 107860 4 OH4C5 AB4C5 -123.4 4.18 -8.63 -1.34 0
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10777 107867 1 O2N5C24H31 A2B5C24D31 -28.09 5.06 -8.71 -0.78 0
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10778 107889 2 NH7C9 AB7C9 69.33 2.5 -8.16 -0.69 0
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10779 107893 1 NNaS2O5C8H18 ABC2D5E8F18 -250.68 5.44 -9.07 -0.22 0
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10780 107894 1 NS2O5C8H19 AB2C5D8E19 -232.21 7.98 -8.74 0.37 0
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10781 107900 1 NO2H15C18 AB2C15D18 -26.51 5.74 -8.36 -0.91 0
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10782 107903 1 F2N7C28H33 A2B7C28D33 21.93 1.49 -9.03 -0.27 0
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10783 107910 1 NS2O9C12H21 AB2C9D12E21 -346.73 6.61 -9.49 -0.83 0
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10784 107922 1 OH10C18 AB10C18 70.36 2.51 -8.53 -1.25 0
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10785 107923 1 NO4C26H35 AB4C26D35 -158.75 3.64 -8.5 -0.4 0
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10786 107934 1 NO2S2C6H16 AB2C2D6E16 -95.28 10.41 0.0 0.0 1
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10787 107939 1 NO6C18H25 AB6C18D25 -204.59 8.74 -9.21 0.1 0
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10788 107946 1 SO2Cl4H10C15 AB2C4D10E15 -50.99 5.68 -9.71 -1.04 0
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10789 107974 1 O4C15H20 A4B15C20 -92.04 2.37 -9.99 -0.11 0
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10790 107975 1 ClN6O6H13C14 AB6C6D13E14 23.35 7.04 -8.98 -1.98 0
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10791 107979 1 ClNO3C25H30 ABC3D25E30 -101.47 13.08 -8.15 -0.56 0
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10792 108025 1 BrN2O2H5C6 AB2C2D5E6 -57.39 4.36 -9.51 -1.25 0
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10793 108041 1 O2N5H19C21 A2B5C19D21 32.83 8.19 -8.97 -0.9 0
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10794 108045 1 PN2O7C36H60 AB2C7D36E60 -370.21 9.85 0.0 0.0 1
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10795 108070 2 Cl2H2C5 A2B2C5 8.58 0.03 -9.52 -1.46 0
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10796 108071 2 Cl2H2C5 A2B2C5 6.82 0.5 -9.25 -1.47 0
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10797 108072 1 NO9C16H25 AB9C16D25 -351.48 4.32 -10.22 -0.9 0
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10798 108075 1 N4O7C29H30 A4B7C29D30 -202.22 7.66 -9.02 -1.11 0