pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.78	IUPAC digitized pKa	1	0	[NH3+]C[C@@H](O)c1ccc(Cl)c(Cl)c1	NC[C@@H](O)c1ccc(Cl)c(Cl)c1	mol6105	NCC(O)c1ccc(Cl)c(Cl)c1