pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.6	Baltruschat ChEMBL	1	0	Cc1cc2cc[nH]c2c(C(=O)Nc2[nH+]c(C)cs2)n1,Cc1csc(NC(=O)c2[nH+]c(C)cc3cc[nH]c23)n1	Cc1csc(NC(=O)c2nc(C)cc3cc[nH]c23)n1	mol16818	Cc1csc(NC(=O)c2nc(C)cc3cc[nH]c23)n1