pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.23	Baltruschat ChEMBL	1	0	NS(=O)(=O)c1cc2c(s1)S(=O)(=O)[C@H](CC[NH+]1CCOCC1)CN2	NS(=O)(=O)c1cc2c(s1)S(=O)(=O)[C@H](CCN1CCOCC1)CN2	mol20362	NS(=O)(=O)c1cc2c(s1)S(=O)(=O)C(CCN1CCOCC1)CN2