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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228990 87566709 1 ClFSO3N4C21H24 ABCD3E4F21G24 -83.91 5.29 -9.07 -0.82 0
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228991 87566710 1 O5C6H14 A5B6C14 -238.99 7.02 -10.44 0.58 0
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228992 87566711 1 O6C11H24 A6B11C24 -302.45 4.7 -10.23 0.6 0
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228993 87566712 1 N2O6C27H34 A2B6C27D34 -209.98 2.53 -8.39 -0.88 0
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228994 87566713 1 N2O6C27H34 A2B6C27D34 -212.33 0.25 -8.39 -0.91 -3
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228995 87566714 1 CoC4H5O10 AB4C5D10 -466.67 14.2 -11.15 -6.76 0
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228996 87566728 1 O11C16H30 A11B16C30 -518.09 6.15 -10.17 -0.27 0
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228997 87566740 1 OSiC4H5 ABC4D5 97.75 1.75 0.0 0.0 0
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228998 87566744 2 O5C6H11 A5B6C11 -462.58 5.81 -10.55 -0.28 0
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228999 87566751 1 FSN3O4C27H32 ABC3D4E27F32 -133.92 2.73 -8.91 -0.18 0
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229000 87566753 1 ClN2O2C13H19 AB2C2D13E19 -98.63 3.47 -9.7 -0.57 0
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229001 87566754 1 O9C12H22 A9B12C22 -423.4 7.92 -10.9 -0.65 0
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229002 87566755 1 ClFSO3N4C22H26 ABCD3E4F22G26 -89.28 6.01 -9.08 -0.56 0
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229003 87566756 1 FSO3N4C22H25 ABC3D4E22F25 -54.28 6.13 -9.18 -0.47 0
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229004 87566758 1 FSN4O5C28H35 ABC4D5E28F35 -159.62 0.52 -8.96 -0.55 0
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229005 87566759 1 ClFSN3O3C26H33 ABCD3E3F26G33 -124.74 5.16 -8.73 -0.24 0
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229006 87566760 1 FSN3O3C26H32 ABC3D3E26F32 -90.65 1.58 -8.7 -0.25 0
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229007 87566763 1 ClFSN2O3C22H24 ABCD2E3F22G24 -85.83 5.13 -9.09 -0.79 0
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229008 87566766 1 ClFSN4O5C28H38 ABCD4E5F28G38 -186.09 5.89 -8.26 -0.41 0
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229009 87566767 1 FSN4O5C28H37 ABC4D5E28F37 -162.29 2.52 -8.48 -0.21 0
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229010 87566768 1 NO3C17H31 AB3C17D31 -184.81 3.16 -9.8 0.43 0
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229011 87566771 1 NO4C18H31 AB4C18D31 -224.66 1.12 -10.31 -0.01 0
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229012 87566774 1 SN3F6O6H17C20 AB3C6D6E17F20 -502.09 5.56 -10.25 -1.47 0
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229013 87566776 1 SN3O4F6H21C29 AB3C4D6E21F29 -378.35 9.48 -9.54 -1.35 0
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229014 87566778 1 ClON2S2C11H15 ABC2D2E11F15 -34.24 3.18 -9.29 -0.66 0
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229015 87566783 1 FSO3N5C22H26 ABC3D5E22F26 -46.22 5.47 -9.22 -0.91 0
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229016 87566785 1 N2O5C8H14 A2B5C8D14 -160.7 1.65 -9.61 -0.7 0
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229017 87566786 1 O2N3F7H22C25 A2B3C7D22E25 -381.27 6.24 -9.8 -0.97 0
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229018 87566787 1 O2N3F7H22C25 A2B3C7D22E25 -381.01 4.64 -9.63 -0.97 0
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229019 87566792 1 SO4N5H27C30 AB4C5D27E30 3.06 5.35 -8.11 -0.83 0
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229020 87566793 1 Si2N5O6C52H59 A2B5C6D52E59 -123.08 8.81 -7.65 -0.71 0
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229021 87566795 1 N3F6C23H25 A3B6C23D25 -271.65 5.02 -8.66 -0.82 0
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229022 87566796 1 N3F6C23H23 A3B6C23D23 -250.44 9.06 -8.65 -1.22 0
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229023 87566797 1 BrPC30H64 ABC30D64 -69.9 116.98 -4.57 -2.67 0
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229024 87566798 1 PC30H63 AB30C63 -144.19 1.89 -9.27 2.88 0
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229025 87566799 1 FN2O2S2C22H23 AB2C2D2E22F23 -39.77 2.06 -9.06 -1.01 -2
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229026 87566800 2 FN7O10C46H55 AB7C10D46E55 -514.31 34.97 -7.45 -2.93 0
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229027 87566803 2 FN7O10C46H60 AB7C10D46E60 -892.98 7.65 -8.54 -0.47 0
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229028 87566804 1 FN7O10C46H60 AB7C10D46E60 -439.44 6.91 -8.45 -0.27 0
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229029 87566806 1 PBr2F2O3C12H15 AB2C2D3E12F15 -286.28 2.25 -9.83 -1.15 0
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229030 87566807 1 PF2N2O6C27H29 AB2C2D6E27F29 -356.54 6.06 -9.43 -0.35 0
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229031 87566810 1 N7O8C51H61 A7B8C51D61 -266.17 14.83 -8.09 -0.45 0
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229032 87566811 1 PdN2C22H30 AB2C22D30 89.72 2.53 -6.93 0.49 0
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229033 87566812 1 N3C12H25 A3B12C25 12.7 4.07 -8.27 1.16 0
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229034 87566817 1 FSO2N3C22H24 ABC2D3E22F24 -44.03 4.3 -8.99 -0.53 0
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229035 87566818 1 ClFSO2N4C23H28 ABCD2E4F23G28 -55.07 6.32 -8.85 -0.31 0
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229036 87566820 1 SF3N3O5C18H18 AB3C3D5E18F18 -310.3 2.67 -9.62 -1.89 1
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229037 87566821 1 ClSF3N4O4C26H29 ABC3D4E4F26G29 -164.26 3.55 0.0 0.0 1
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229038 87566824 1 NO3C11H18 AB3C11D18 -95.74 7.97 0.0 0.0 0
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229039 87566827 1 ClFSN3O3C24H29 ABCD3E3F24G29 -125.48 6.7 -8.62 -0.12 0
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229040 87566831 2 SO2N3C5H6 AB2C3D5E6 -91.78 5.04 -9.51 -1.81 0
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229041 87566832 2 OSN3C5H6 ABC3D5E6 -18.57 6.06 -9.44 -1.18 0
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229042 87566833 1 ClFSN3O3C25H31 ABCD3E3F25G31 -115.42 4.28 -8.66 -0.17 0
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229043 87566835 1 ClFSN4O5C24H28 ABCD4E5F24G28 -189.96 9.49 -9.86 -1.04 0
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229044 87566836 1 FSN4O5C24H27 ABC4D5E24F27 -145.13 7.87 -9.07 -0.67 0
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229045 87566837 1 ClFSN3O3C25H31 ABCD3E3F25G31 -121.63 6.62 -8.63 -0.01 0
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229046 87566838 1 FSN3O3C25H30 ABC3D3E25F30 -85.37 4.81 -8.47 -0.23 0
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229047 87566841 1 SO6C7H12 AB6C7D12 -266.96 3.34 -10.82 -0.27 0
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229048 87566842 1 SF3N5O5C14H18 AB3C5D5E14F18 -275.58 7.35 -9.01 -1.0 0
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229049 87566843 1 SO3N5C12H17 AB3C5D12E17 -38.23 5.17 -9.05 -0.76 0
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229050 87566845 1 FSN4O5C24H27 ABC4D5E24F27 -152.33 0.7 -9.13 -1.16 0
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229051 87566847 1 NO2S3C8H9 AB2C3D8E9 -54.26 5.4 -9.23 -2.0 0
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229052 87566848 1 NO2S3C8H11 AB2C3D8E11 -54.22 4.48 -8.49 -1.15 0
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229053 87566849 1 SN2O7C17H30 AB2C7D17E30 -345.55 3.68 -9.51 0.09 0
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229054 87566850 2 NSO3C7H9 ABC3D7E9 -237.28 8.21 -9.18 -1.36 0
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229055 87566852 1 F4N7O8C46H53 A4B7C8D46E53 -401.28 11.77 -8.6 -1.55 0
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229056 87566853 1 F4N7O8C46H57 A4B7C8D46E57 -524.64 8.07 -8.35 -0.32 0
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229057 87566854 1 MoNO3C10H11 ABC3D10E11 12.47 9.85 -7.58 0.46 0
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229058 87566856 1 OS2N3H27C29 AB2C3D27E29 101.42 2.97 -8.8 -0.77 0
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229059 87566857 1 O2N5C24H33 A2B5C24D33 -32.16 6.66 -8.87 -0.47 1
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229060 87566859 1 PBr2Cl2O3F4H6C14 AB2C2D3E4F6G14 -288.43 3.62 0.0 0.0 0
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229061 87566860 1 ClO2N4H9C10 AB2C4D9E10 -3.73 3.45 -9.75 -1.0 0
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229062 87566861 1 N2O3C10H22 A2B3C10D22 -137.26 5.62 -9.64 0.78 0
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229063 87566862 1 NZnO4C10H11 ABC4D10E11 -111.2 3.0 -8.41 -1.42 0
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229064 87566863 1 NO4C10H11 AB4C10D11 -138.31 2.77 -8.52 -1.17 0