pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-1.37	Baltruschat ChEMBL	2	1	COc1cccc(-n2cc(C(=[OH+])N(C)c3cccc(Cl)c3)c3ccccc3c2=[OH+])c1	COc1cccc(-n2cc(C(=[OH+])N(C)c3cccc(Cl)c3)c3ccccc3c2=O)c1,COc1cccc(-n2cc(C(=O)N(C)c3cccc(Cl)c3)c3ccccc3c2=[OH+])c1	mol16383	COc1cccc(-n2cc(C(=O)N(C)c3cccc(Cl)c3)c3ccccc3c2=O)c1