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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