pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.63	IUPAC digitized pKa	0	-1	O=C([O-])C[NH+](CC[NH+](CC(=O)[O-])Cc1ccccn1)Cc1ccccn1,O=C([O-])C[NH+](CCN(CC(=O)O)Cc1ccccn1)Cc1ccccn1,O=C([O-])CN(CC[NH+](CC(=O)[O-])Cc1ccccn1)Cc1cccc[nH+]1	O=C([O-])CN(CC[NH+](CC(=O)[O-])Cc1ccccn1)Cc1ccccn1	mol12223	O=C(O)CN(CCN(CC(=O)O)Cc1ccccn1)Cc1ccccn1
8.84	IUPAC digitized pKa	-1	-2	O=C([O-])CN(CC[NH+](CC(=O)[O-])Cc1ccccn1)Cc1ccccn1	O=C([O-])CN(CCN(CC(=O)[O-])Cc1ccccn1)Cc1ccccn1	mol12223	O=C(O)CN(CCN(CC(=O)O)Cc1ccccn1)Cc1ccccn1