pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.7	Baltruschat ChEMBL	-1	-2	Cc1ccc(-c2cc3c(CCP(=O)([O-])O)ncnc3s2)cc1,Cc1ccc(-c2cc3c(CCP(=O)([O-])[O-])[nH+]cnc3s2)cc1	Cc1ccc(-c2cc3c(CCP(=O)([O-])[O-])ncnc3s2)cc1	mol16243	Cc1ccc(-c2cc3c(CCP(=O)(O)O)ncnc3s2)cc1