pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.4	Baltruschat ChEMBL	0	-1	CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1,CC1CC[NH+](CC[C@H]2CCCN2S(=O)(=O)c2cccc([O-])c2)CC1	CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc([O-])c2)CC1	mol20750	CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1