pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6	Baltruschat ChEMBL	-1	-2	O=C(NCc1ccccc1Cl)Nc1ccsc1-c1nc(O)c(O)c(C(=O)[O-])n1	O=C(NCc1ccccc1Cl)Nc1ccsc1-c1nc(O)c([O-])c(C(=O)[O-])n1,O=C(NCc1ccccc1Cl)Nc1ccsc1-c1nc([O-])c(O)c(C(=O)[O-])n1	mol21201	O=C(NCc1ccccc1Cl)Nc1ccsc1-c1nc(O)c(O)c(C(=O)O)n1