pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.62	Baltruschat ChEMBL	0	-1	NS(=O)(=O)c1cc2c(s1)S[C@H](CCO)CN2	[NH-]S(=O)(=O)c1cc2c(s1)S[C@H](CCO)CN2	mol20363	NS(=O)(=O)c1cc2c(s1)SC(CCO)CN2