pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.42	IUPAC digitized pKa	1	0	CSc1cccc([C@@H](O)C[NH2+]C(C)C)c1	CSc1cccc([C@@H](O)CNC(C)C)c1	mol6222	CSc1cccc(C(O)CNC(C)C)c1