pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.27	Baltruschat ChEMBL	0	-1	NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3	[NH-]S(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3	mol17233	NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3
