pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.12	IUPAC digitized pKa	1	0	CC[NH+](CC)c1cccc(C)c1	CCN(CC)c1cccc(C)c1	mol2398	CCN(CC)c1cccc(C)c1
6.7	IUPAC digitized pKa	1	0	CC[NH+](CC)c1cccc(C)c1	CCN(CC)c1cccc(C)c1	mol2398	CCN(CC)c1cccc(C)c1
6.72	AttenGpKa training set	1	0	CC[NH+](CC)c1cccc(C)c1	CCN(CC)c1cccc(C)c1	mol2398	CCN(CC)c1cccc(C)c1