pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.159	IUPAC digitized pKa	0	-1	CCNC[C@@H](O)c1cccc(O)c1,CC[NH2+]C[C@@H](O)c1cccc([O-])c1	CCNC[C@@H](O)c1cccc([O-])c1	mol6196	CCNCC(O)c1cccc(O)c1
9.8	OCHEM	0	-1	CCNC[C@@H](O)c1cccc(O)c1,CC[NH2+]C[C@@H](O)c1cccc([O-])c1	CCNC[C@@H](O)c1cccc([O-])c1	mol6196	CCNCC(O)c1cccc(O)c1
8.983	IUPAC digitized pKa	1	0	CC[NH2+]C[C@@H](O)c1cccc(O)c1	CCNC[C@@H](O)c1cccc(O)c1,CC[NH2+]C[C@@H](O)c1cccc([O-])c1	mol6196	CCNCC(O)c1cccc(O)c1