pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.31	IUPAC digitized pKa	0	-1	C[C@@](O)(C1=NCCCN1)c1ccccc1	C[C@@](O)(C1=NCCC[N-]1)c1ccccc1	mol7522	CC(O)(C1=NCCCN1)c1ccccc1
11.49	IUPAC digitized pKa	1	0	C[C@@](O)(C1=[NH+]CCCN1)c1ccccc1	C[C@@](O)(C1=NCCCN1)c1ccccc1	mol7522	CC(O)(C1=NCCCN1)c1ccccc1