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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227827 87562607 1 SN3O3C14H15 AB3C3D14E15 -27.71 5.59 -8.3 -0.85 0
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227828 87562609 1 S2O3N5C19H21 A2B3C5D19E21 -44.91 5.71 -9.23 -1.25 0
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227829 87562612 1 S4C15H34 A4B15C34 -62.75 4.51 -8.96 0.06 0
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227830 87562618 2 SN2O2C9H9 AB2C2D9E9 -85.31 9.28 -9.31 -1.35 0
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227831 87562620 1 SF2N3H7C11 AB2C3D7E11 -13.02 6.61 -8.38 -0.81 0
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227832 87562629 1 AsNO5C6H18 ABC5D6E18 -211.18 7.17 -9.56 -0.18 0
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227833 87562632 1 S2N4O5C25H30 A2B4C5D25E30 -182.91 8.46 -9.05 -0.85 0
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227834 87562639 2 OC7H14 AB7C14 -156.13 1.9 -10.71 0.95 0
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227835 87562641 1 ClO2H9C17 AB2C9D17 -30.42 6.8 -9.04 -1.79 0
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227836 87562643 1 SN3O3H11C14 AB3C3D11E14 -35.74 3.33 -8.89 -1.54 0
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227839 87562665 1 C7O8H10 A7B8C10 -362.97 4.17 -11.25 -0.46 0
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227840 87562666 1 N3O5C27H27 A3B5C27D27 -47.48 3.17 -9.08 -1.08 0
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227841 87562668 1 FO3C11H11 AB3C11D11 -161.98 3.75 -9.71 -0.21 0
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227842 87562670 2 NO2C6H7 AB2C6D7 -77.14 5.46 -10.29 -0.87 0
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227843 87562675 1 O3C13H24 A3B13C24 -180.29 2.05 -10.32 0.57 0
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227844 87562684 1 N2O3C18H30 A2B3C18D30 -110.94 4.06 -9.82 -0.48 0
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227845 87562690 1 ClH4N4O4F9C12 AB4C4D4E9F12 -525.15 4.94 -9.68 -1.84 0
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227846 87562693 1 ClN2O2C30H31 AB2C2D30E31 -14.34 3.56 -8.84 -0.28 1
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227847 87562695 1 Cl2O2F3N3C26H29 A2B2C3D3E26F29 -178.61 6.75 0.0 0.0 0
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227848 87562704 1 N2O3H16C19 A2B3C16D19 -2.07 3.38 -8.94 -0.86 0
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227849 87562706 1 NPO9C51H98 ABC9D51E98 -652.94 3.88 -9.43 0.4 0
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227850 87562713 1 FeC2O2H6 AB2C2D6 29.8 3.03 -8.22 1.42 0
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227851 87562717 1 Cl2O2N3F4C27H27 A2B2C3D4E27F27 -247.62 5.27 -8.82 -0.96 0
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227852 87562719 1 ClSF3N5O8C35H39 ABC3D5E8F35G39 -375.97 7.18 -8.39 -0.79 0
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227853 87562720 1 ClN2O3C12H15 AB2C3D12E15 -110.67 1.44 -9.14 -0.96 0
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227854 87562721 1 BrO4N11C52H60 AB4C11D52E60 -28.81 10.13 -8.59 -1.0 0
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227855 87562723 1 O3N6C19H26 A3B6C19D26 -69.35 5.6 -8.76 -0.76 0
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227856 87562724 1 ClPS3C6O14H18 ABC3D6E14F18 -698.01 4.56 -11.29 -1.61 0
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227857 87562729 1 O2N5H21C23 A2B5C21D23 95.1 5.04 -8.68 -0.89 0
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227858 87562731 1 O2N6C37H42 A2B6C37D42 14.06 5.74 -9.11 -0.49 0
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227859 87562732 1 BrO4N10C72H81 AB4C10D72E81 34.3 5.58 -8.73 -1.14 0
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227860 87562738 1 SN4O4C19H20 AB4C4D19E20 -117.57 4.26 -9.2 -1.37 0
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227861 87562739 1 Cl2N2S3O7H54C57 A2B2C3D7E54F57 -95.71 5.44 -8.11 -1.16 0
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227862 87562742 1 ClON5C21H22 ABC5D21E22 25.77 3.91 -8.96 -0.62 0
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227863 87562749 1 NOC16H23 ABC16D23 -40.68 4.24 -9.24 0.26 0
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227864 87562751 4 OC11H21 AB11C21 -343.98 2.15 -10.65 -0.91 0
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227865 87562754 1 BSN2O2C13H17 ABC2D2E13F17 -138.42 2.85 -8.68 -0.37 0
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227866 87562762 1 TeN2O7C31H32 AB2C7D31E32 -203.14 3.25 -8.54 -0.66 0
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227867 87562764 1 SCl2N2F3O3H21C26 AB2C2D3E3F21G26 -214.89 5.64 -8.98 -0.84 0
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227868 87562768 1 O8C9H14 A8B9C14 -356.45 4.74 -10.93 -0.63 0
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227869 87562769 1 BrNO3C10H12 ABC3D10E12 -107.42 4.14 -9.18 -0.99 0
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227870 87562778 1 BrN2O3H11C13 AB2C3D11E13 -67.24 0.69 -9.52 -1.27 0
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227871 87562780 1 ClO3N4C8H9 AB3C4D8E9 -57.33 4.74 -9.35 -1.11 0
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227872 87562794 1 BrNSO3C7H8 ABCD3E7F8 -98.28 7.52 -9.41 -0.63 0
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227873 87562801 2 N2O2C5H6 A2B2C5D6 -91.88 7.44 -9.67 -0.71 0
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227874 87562802 1 ClO2F6N9H20C25 AB2C6D9E20F25 -187.67 14.72 -9.59 -1.76 0
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227875 87562806 1 FSO3C10H11 ABC3D10E11 -144.81 5.4 -10.27 -1.46 0
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227877 87562817 1 BN2F4H8C10 AB2C4D8E10 -183.13 0.16 0.0 0.0 0
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227878 87562818 1 O2N3H13C19 A2B3C13D19 96.52 2.96 -9.26 -1.25 0
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227879 87562825 1 AsCFeO3H6 ABCD3E6 -62.85 2.57 0.0 0.0 0