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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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161793 57392698 1 OCl2N3H19C23 AB2C3D19E23 28.29 1.22 -9.04 -1.02 0
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161795 57392708 1 N3O4H19C23 A3B4C19D23 -78.33 3.3 -8.89 -1.43 0
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161797 57392711 1 F3N3O3H14C19 A3B3C3D14E19 -180.43 6.88 -9.8 -1.18 0
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161798 57392712 1 NF3O4H20C25 AB3C4D20E25 -260.5 9.54 -9.75 -0.88 0
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161799 57392715 1 SN2O6C17H24 AB2C6D17E24 -199.24 6.97 -9.27 -0.63 0
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161801 57392720 1 ClPO5N6C13H20 ABC5D6E13F20 -196.68 5.54 -9.44 -0.59 0
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161803 57392726 1 FSN2O4C26H35 ABC2D4E26F35 -180.36 5.35 -8.61 -0.54 0
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161804 57392729 1 SF3O3N4C20H27 AB3C3D4E20F27 -265.68 10.49 -9.48 -0.68 1
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161805 57392730 1 OSN2C27H29 ABC2D27E29 50.42 3.26 0.0 0.0 1
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161806 57392732 1 SN2H31C32 AB2C31D32 118.56 3.62 0.0 0.0 0
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161808 57392740 2 O2C12H13 A2B12C13 -114.33 2.5 -9.1 -0.75 0
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161809 57392741 1 FNO4H22C24 ABC4D22E24 -112.01 3.93 -8.76 -0.65 0
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161810 57392743 1 FSO3N4H13C14 ABC3D4E13F14 -107.65 4.64 -9.51 -0.99 0
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161812 57392748 1 N2O11C44H52 A2B11C44D52 -379.48 6.3 -8.96 -1.44 0
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161813 57392757 2 FN2O2H9C12 AB2C2D9E12 -171.9 11.26 -8.85 -1.54 0
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161814 57392759 1 SF2N4O5H16C22 AB2C4D5E16F22 -206.79 12.36 -9.21 -1.66 0
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161815 57392760 1 F2S2N5O5H17C25 A2B2C5D5E17F25 -170.05 13.78 -8.88 -1.67 0
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161816 57392763 1 F2N3O4H17C23 A2B3C4D17E23 -167.57 9.08 -8.1 -1.4 0
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161818 57392767 1 F2N2O3H18C19 A2B2C3D18E19 -122.62 6.51 -8.41 -0.52 0
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161819 57392769 1 ClO3N4H23C24 AB3C4D23E24 -43.9 6.72 -8.93 -0.66 0
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161821 57392777 1 ClFN4O4H18C24 ABC4D4E18F24 -134.2 10.73 -8.86 -1.53 0
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161822 57392779 1 ClNO2C18H18 ABC2D18E18 -46.0 2.83 -9.34 -0.61 0
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161823 57392780 1 NO2F4C24H27 AB2C4D24E27 -267.16 5.73 -8.44 -0.24 0
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161825 57392787 1 N3O6H23C30 A3B6C23D30 -24.22 11.03 -9.26 -1.49 0
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161826 57392789 2 N3O4H14C16 A3B4C14D16 -157.38 4.76 -9.01 -0.83 0
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161828 57392794 1 ClO3N7C9H12 AB3C7D9E12 -72.59 3.24 -8.59 -0.68 0
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161829 57392799 1 FNC13H16 ABC13D16 13.73 1.86 -9.19 0.47 0
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161830 57392801 1 NO3C10H17 AB3C10D17 -147.64 3.01 -9.6 0.35 0
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161831 57392804 1 N3O3F7H28C30 A3B3C7D28E30 -444.13 1.55 -9.8 -1.32 0
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161832 57392805 1 OCl3N4C7H7 AB3C4D7E7 -42.43 9.58 -9.9 -1.5 0
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161833 57392807 1 O2N5C20H23 A2B5C20D23 18.43 5.82 -8.77 -1.01 0
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161834 57392809 1 SF2N5O5C37H39 AB2C5D5E37F39 -203.85 7.61 -8.89 -0.99 0
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161835 57392811 1 N2O2H14C15 A2B2C14D15 -25.05 2.11 -9.69 -0.9 0
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161836 57392812 1 N3O3H19C24 A3B3C19D24 -2.17 4.97 -9.49 -0.92 0
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161837 57392813 1 O5C16H18 A5B16C18 -188.04 2.89 -8.62 -0.05 0
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161838 57392814 1 O5C19H24 A5B19C24 -180.46 2.13 -8.4 0.1 0
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161839 57392817 1 ClF2O2H11C15 AB2C2D11E15 -146.91 2.01 -9.37 -1.47 0
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161841 57392819 1 ClFO3C18H18 ABC3D18E18 -121.11 3.54 -9.37 -0.56 0
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161842 57392820 1 FO3H17C18 AB3C17D18 -91.53 3.35 -9.55 -0.69 0
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161843 57392821 1 SF2N3O5C27H41 AB2C3D5E27F41 -337.3 7.87 -9.41 -0.46 0
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161844 57392823 1 ClON2C25H31 ABC2D25E31 -18.42 4.73 -8.74 -0.34 0
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161846 57392829 1 FNO4H30C31 ABC4D30E31 -115.85 5.84 -8.55 -0.64 0
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161847 57392831 1 ClNO3C29H32 ABC3D29E32 -73.57 4.96 -8.99 -0.56 0
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161848 57392832 1 ClNO4C30H36 ABC4D30E36 -151.01 5.76 -9.23 -0.44 0
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161849 57392838 1 SN3O6C11H13 AB3C6D11E13 -63.01 5.36 -10.04 -2.44 0
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161850 57392842 1 ClFN4O4C32H34 ABC4D4E32F34 -129.56 6.65 -9.18 -0.74 0
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161851 57392843 1 ClFN4O4C34H40 ABC4D4E34F40 -134.98 5.4 -8.85 -0.34 0
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161852 57392845 1 ClF2N4O4C34H39 AB2C4D4E34F39 -184.17 3.77 -8.74 -0.64 0
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161853 57392849 1 FN2O2C20H27 AB2C2D20E27 -123.85 4.33 -7.96 0.13 0
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161854 57392855 1 SN2O6C20H22 AB2C6D20E22 -204.86 4.52 -8.69 -1.13 0