pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.88	IUPAC digitized pKa	0	-1	COc1ccc(C(=O)O)c(N)c1,COc1ccc(C(=O)[O-])c([NH3+])c1	COc1ccc(C(=O)[O-])c(N)c1	mol8457	COc1ccc(C(=O)O)c(N)c1
4.71	IUPAC digitized pKa	0	-1	COc1ccc(C(=O)O)c(N)c1,COc1ccc(C(=O)[O-])c([NH3+])c1	COc1ccc(C(=O)[O-])c(N)c1	mol8457	COc1ccc(C(=O)O)c(N)c1
2.06	IUPAC digitized pKa	1	0	COc1ccc(C(=O)O)c([NH3+])c1	COc1ccc(C(=O)O)c(N)c1,COc1ccc(C(=O)[O-])c([NH3+])c1	mol8457	COc1ccc(C(=O)O)c(N)c1
1.94	IUPAC digitized pKa	1	0	COc1ccc(C(=O)O)c([NH3+])c1	COc1ccc(C(=O)O)c(N)c1,COc1ccc(C(=O)[O-])c([NH3+])c1	mol8457	COc1ccc(C(=O)O)c(N)c1