pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.34	IUPAC digitized pKa	0	-1	O=C([O-])C[C@H]([NH2+]Cc1ccccc1)C(=O)O,O=C(O)C[C@H]([NH2+]Cc1ccccc1)C(=O)[O-]	O=C([O-])C[C@H]([NH2+]Cc1ccccc1)C(=O)[O-]	mol8502	O=C(O)C[C@H](NCc1ccccc1)C(=O)O
2.06	IUPAC digitized pKa	1	0	O=C(O)C[C@H]([NH2+]Cc1ccccc1)C(=O)O	O=C([O-])C[C@H]([NH2+]Cc1ccccc1)C(=O)O,O=C(O)C[C@H]([NH2+]Cc1ccccc1)C(=O)[O-]	mol8502	O=C(O)C[C@H](NCc1ccccc1)C(=O)O
9.07	IUPAC digitized pKa	-1	-2	O=C([O-])C[C@H]([NH2+]Cc1ccccc1)C(=O)[O-]	O=C([O-])C[C@H](NCc1ccccc1)C(=O)[O-]	mol8502	O=C(O)C[C@H](NCc1ccccc1)C(=O)O