pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.08	IUPAC digitized pKa	1	0	C[NH+]1CC=Cc2cc(S)ccc21	C[NH+]1CC=Cc2cc([S-])ccc21,CN1CC=Cc2cc(S)ccc21	mol4441	CN1CC=Cc2cc(S)ccc21