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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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177860 76245758 1 F2O3N4C17H22 A2B3C4D17E22 -186.77 6.14 -9.4 -0.29 1
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177861 76245759 1 F2N3O3C20H20 A2B3C3D20E20 -164.64 2.97 0.0 0.0 0
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177862 76245760 1 SN3O5C26H37 AB3C5D26E37 -195.29 3.52 -9.43 -0.1 0
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177863 76245761 1 N3O4H19C20 A3B4C19D20 -48.56 10.45 -8.99 -0.94 0
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177864 76245762 1 OSF2N3C21H21 ABC2D3E21F21 -65.73 6.61 -8.94 -0.47 0
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177865 76245763 1 SO2N3C21H31 AB2C3D21E31 -72.64 4.02 -8.7 0.28 0
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177866 76246227 1 N4O4C17H22 A4B4C17D22 -62.34 3.7 -9.02 -0.84 0
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177867 76246329 1 NO2C18H25 AB2C18D25 -69.7 3.21 -8.97 -0.04 0
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177868 76246509 1 N2O4C25H36 A2B4C25D36 -156.95 6.97 -8.44 -0.43 0
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177869 76246510 1 F2N3O3H21C23 A2B3C3D21E23 -126.54 2.41 -9.34 -1.36 0
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177870 76246511 1 SN2O4C22H24 AB2C4D22E24 -97.18 7.08 -9.81 -1.12 0
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177871 76246512 1 N2O2C23H24 A2B2C23D24 -7.09 4.79 -9.33 -0.86 0
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177872 76247230 1 BrClOSN2H10C15 ABCDE2F10G15 56.73 3.72 -9.54 -1.57 0
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177873 76247418 2 O2N3C11H14 A2B3C11D14 -143.96 9.07 -9.06 -0.52 0
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177874 76247772 1 N3O4C25H25 A3B4C25D25 -100.96 4.51 -8.85 -0.58 0
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177875 76247816 1 NO5C24H25 AB5C24D25 -100.11 1.85 -8.5 -0.67 0
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177876 76248118 1 N2O3C22H22 A2B3C22D22 -54.34 3.78 -9.05 -0.4 0
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177877 76248119 1 ClFO3N5C21H23 ABC3D5E21F23 -130.13 4.93 -9.27 -0.9 0
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177878 76248793 1 O3N4H18C20 A3B4C18D20 52.2 3.95 -9.81 -1.7 1
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177879 76248953 1 O3N5C23H24 A3B5C23D24 -37.87 4.25 0.0 0.0 0
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177880 76249094 1 SCl2O2N5H21C22 AB2C2D5E21F22 5.14 9.33 -9.1 -1.51 0
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177881 76249106 1 ClO3N4C20H25 AB3C4D20E25 -109.28 5.29 -9.43 -0.76 0
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177882 76249189 1 SO3N6H18C23 AB3C6D18E23 72.21 6.87 -8.72 -1.14 0
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177883 76249578 2 NO2C13H17 AB2C13D17 -129.38 6.42 -8.44 -0.59 0
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177884 76249579 1 ClN2O4C24H29 AB2C4D24E29 -127.04 6.68 -8.65 -0.72 0