pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.083	IUPAC digitized pKa	1	0	CC[NH+](CC)CCNC(=O)c1ccc(C)cc1	CCN(CC)CCNC(=O)c1ccc(C)cc1	mol6167	CCN(CC)CCNC(=O)c1ccc(C)cc1
9.08	AttenGpKa training set	1	0	CC[NH+](CC)CCNC(=O)c1ccc(C)cc1	CCN(CC)CCNC(=O)c1ccc(C)cc1	mol6167	CCN(CC)CCNC(=O)c1ccc(C)cc1