pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.95000004768372	QSARToolbox	1	0	COc1c(I)cc(Cl)c2ccc[nH+]c12	COc1c(I)cc(Cl)c2cccnc12	mol36696	COc1c(I)cc(Cl)c2cccnc12