pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.84	AttenGpKa training set	1	0	Cc1ccc(OS(=O)(=O)CC23CC[NH+](CC2)CC3)cc1	Cc1ccc(OS(=O)(=O)CC23CCN(CC2)CC3)cc1	mol24679	Cc1ccc(OS(=O)(=O)CC23CCN(CC2)CC3)cc1