pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.834	IUPAC digitized pKa	1	0	CC[NH+](CC)CCCNC(=O)c1cc(C)cc(C)c1	CCN(CC)CCCNC(=O)c1cc(C)cc(C)c1	mol6178	CCN(CC)CCCNC(=O)c1cc(C)cc(C)c1
9.83	AttenGpKa training set	1	0	CC[NH+](CC)CCCNC(=O)c1cc(C)cc(C)c1	CCN(CC)CCCNC(=O)c1cc(C)cc(C)c1	mol6178	CCN(CC)CCCNC(=O)c1cc(C)cc(C)c1