pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
14.4	Baltruschat ChEMBL	-1	-2	NCc1ccc(CNC(=O)c2csc3nc[n-]c(=O)c23)cc1	NCc1ccc(C[N-]C(=O)c2csc3nc[n-]c(=O)c23)cc1	mol16665	NCc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1