pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.88	Baltruschat ChEMBL	0	-1	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(N)cc2nc2c(C)cccc12	COc1cc([N-]S(C)(=O)=O)ccc1Nc1c2ccc(N)cc2nc2c(C)cccc12	mol21352	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(N)cc2nc2c(C)cccc12