pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.16	IUPAC digitized pKa	1	0	C[NH2+]C[C@@H](O)c1ccc2c(c1)CCCC2	CNC[C@@H](O)c1ccc2c(c1)CCCC2	mol6310	CNCC(O)c1ccc2c(c1)CCCC2