pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.6	Baltruschat ChEMBL	1	0	COc1nc([NH+](C)C)ccc1-c1cc2c(C(=O)O)c[nH]c2cc1Cl,COc1[nH+]c(N(C)C)ccc1-c1cc2c(C(=O)O)c[nH]c2cc1Cl	COc1nc([NH+](C)C)ccc1-c1cc2c(C(=O)[O-])c[nH]c2cc1Cl,COc1nc(N(C)C)ccc1-c1cc2c(C(=O)O)c[nH]c2cc1Cl,COc1[nH+]c(N(C)C)ccc1-c1cc2c(C(=O)[O-])c[nH]c2cc1Cl	mol16711	COc1nc(N(C)C)ccc1-c1cc2c(C(=O)O)c[nH]c2cc1Cl