pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.4	IUPAC digitized pKa	1	0	Cc1ccc2c(C)[n+]([O-])c[nH+]c2c1,Cc1ccc2c(C)[n+](O)cnc2c1	Cc1ccc2c(C)[n+]([O-])cnc2c1	mol4654	Cc1ccc2c(C)[n+]([O-])cnc2c1