pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.72	OCHEM	0	-1	CC(C)NC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1	CC(C)NC[C@@H](O)c1ccc([N-]S(C)(=O)=O)cc1	mol31869	CC(C)NC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1
8.29	OCHEM	1	0	CC(C)[NH2+]C[C@@H](O)c1ccc(NS(C)(=O)=O)cc1	CC(C)NC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1	mol31869	CC(C)NC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1