pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.91	Baltruschat ChEMBL	0	-1	O=C(O)c1cccc(-n2cc(-c3cc4ccccc4oc3=O)[nH]c2=S)c1	O=C([O-])c1cccc(-n2cc(-c3cc4ccccc4oc3=O)[nH]c2=S)c1	mol20230	O=C(O)c1cccc(-n2cc(-c3cc4ccccc4oc3=O)[nH]c2=S)c1