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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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181748 76788809 1 N2O2F3C18H21 A2B2C3D18E21 -226.69 5.37 -8.93 -0.74 0
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181749 76788810 1 ClON3H12C15 ABC3D12E15 113.73 6.87 -8.91 -1.59 0
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181750 76788811 1 ClN2O2F4C17H17 AB2C2D4E17F17 -277.15 7.23 -9.36 -0.98 0
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181751 76789017 1 F2O6N9C48H55 A2B6C9D48E55 -253.74 4.24 -8.78 -0.69 0
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181752 76789081 1 O6N8C49H56 A6B8C49D56 -155.21 7.66 -9.05 -0.34 0
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181753 76789344 1 O2N6C25H34 A2B6C25D34 6.23 6.91 -8.54 -1.15 0
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181754 76789420 1 SF4O5N6C29H34 AB4C5D6E29F34 -326.55 4.52 -8.93 -1.38 0
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181755 76789616 1 N2O7C35H40 A2B7C35D40 -222.2 8.6 -8.73 -0.51 0
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181756 76789951 1 ClNSO4C22H26 ABCD4E22F26 -120.57 7.89 -9.99 -1.71 0
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181757 76789952 1 ClN2O2C20H21 AB2C2D20E21 -37.85 3.16 -9.78 -1.5 0
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181758 76789953 1 ClNO3C20H20 ABC3D20E20 -65.04 5.52 -9.88 -1.58 0
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181759 76789954 1 ClNO3C22H22 ABC3D22E22 -28.39 5.63 -8.98 -1.32 0
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181760 76790015 1 ClN2O2C21H27 AB2C2D21E27 -93.02 6.81 -9.44 -0.2 0
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181761 76790016 1 NOSC21H23 ABCD21E23 39.59 4.49 -8.51 -1.45 0
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181762 76790017 1 ClO2N4C20H27 AB2C4D20E27 -74.63 7.87 -8.72 -0.67 0
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181763 76790100 1 SN2O4C24H32 AB2C4D24E32 -144.93 3.82 -10.06 -0.78 0
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181764 76790265 1 N2O2C21H30 A2B2C21D30 -113.49 5.51 -9.4 0.06 -2
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181765 76790444 1 NOYC16H21 ABCD16E21 50.06 4.41 0.0 0.0 0
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181766 76790626 2 OF3C19H20 AB3C19D20 -311.05 5.38 -9.03 -0.44 0
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181767 76790627 1 O3F6C38H40 A3B6C38D40 -374.44 4.61 -9.2 -0.41 0
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181768 76791049 2 NaPN2O10C40H73 ABC2D10E40F73 -1279.8 68.15 -8.34 -3.62 0
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181769 76791068 1 P2N4O18C75H146 A2B4C18D75E146 -1222.12 4.35 -9.61 -0.07 0
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181770 76791140 1 N5O6C21H31 A5B6C21D31 -238.65 4.49 -9.03 -0.65 0
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181771 76791141 1 N5O7C23H33 A5B7C23D33 -281.13 2.43 -9.07 -0.67 0
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181772 76791142 1 N5O7C23H33 A5B7C23D33 -279.47 2.89 -9.08 -0.69 0
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181773 76791143 1 N5O7C23H33 A5B7C23D33 -280.44 4.78 -9.1 -0.69 0
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181774 76791144 1 N5O5C18H25 A5B5C18D25 -164.13 6.27 -8.48 -0.36 0
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181775 76791145 1 Cl4N5O7C19H21 A4B5C7D19E21 -259.93 5.59 -9.17 -0.94 0
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181776 76791146 1 N5O5C19H27 A5B5C19D27 -181.09 4.11 -8.98 -0.61 0
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181777 76791692 1 ClN2O3C28H35 AB2C3D28E35 -131.38 1.85 -9.3 -0.52 0
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181778 76791693 1 ClOSN3C21H32 ABCD3E21F32 -63.5 3.39 -8.99 -0.09 0
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181779 76791808 1 ClN3C20H38 AB3C20D38 -41.34 4.07 -8.24 1.01 0
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181780 76791809 1 ClN3C33H58 AB3C33D58 -62.36 5.25 -8.1 1.09 0
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181781 76791810 1 ClON2C33H55 ABC2D33E55 -84.29 4.93 -8.14 0.26 0
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181782 76791811 1 ClN2C30H47 AB2C30D47 -55.32 2.49 -8.45 0.04 0
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181783 76791812 1 ClN2O2C26H41 AB2C2D26E41 -148.89 2.77 -8.84 0.12 0
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181784 76791813 1 ClFN2C26H38 ABC2D26E38 -54.0 2.37 -8.47 -0.1 0
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181785 76791814 1 ClON4C23H43 ABC4D23E43 -107.22 1.76 -9.07 0.87 0
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181786 76791815 1 ClN2O2C22H39 AB2C2D22E39 -154.76 2.96 -9.02 0.92 0
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181787 76792169 1 ClON2C32H53 ABC2D32E53 -92.19 3.78 -8.39 0.6 0
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181788 76792170 1 ClN2O2C26H45 AB2C2D26E45 -164.88 5.09 -9.11 0.9 0
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181789 76792171 1 ClN2O2C28H41 AB2C2D28E41 -102.26 4.79 -8.65 -0.14 0
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181790 76792172 1 OF2N2C21H34 AB2C2D21E34 -165.16 5.31 -8.9 -0.26 0
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181791 76792496 1 FOCl2N5C24H30 ABC2D5E24F30 -63.51 4.5 -9.2 -0.62 0
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181792 76792937 1 ON3C20H27 AB3C20D27 -21.76 6.4 -8.26 0.36 0
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181793 76793085 1 N2O2H14C17 A2B2C14D17 29.42 5.69 -8.69 -0.93 0
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181794 76793089 1 N3O4H15C18 A3B4C15D18 21.57 5.21 -9.04 -1.63 0
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181795 76793251 1 NO2C27H41 AB2C27D41 -113.49 2.24 -9.86 -1.3 0
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181796 76793451 1 N3O7C29H39 A3B7C29D39 -283.47 8.19 -9.29 -1.52 1
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181797 76793499 1 N2P2O14C24H37 A2B2C14D24E37 -658.55 11.34 0.0 0.0 0