pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.3	IUPAC digitized pKa	1	0	Cc1cc[nH+]o1	Cc1ccno1	mol3939	Cc1ccno1
2.29999995231628	QSARToolbox	1	0	Cc1cc[nH+]o1	Cc1ccno1	mol3939	Cc1ccno1
