pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.49	IUPAC digitized pKa	0	-1	NC(=O)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)O	NC(=O)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)[O-]	mol11886	NC(=O)NCCCC(NC(=O)c1ccccc1)C(=O)O
3.57	IUPAC digitized pKa	0	-1	NC(=O)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)O	NC(=O)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)[O-]	mol11886	NC(=O)NCCCC(NC(=O)c1ccccc1)C(=O)O
3.6	IUPAC digitized pKa	0	-1	NC(=O)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)O	NC(=O)NCCC[C@@H](NC(=O)c1ccccc1)C(=O)[O-]	mol11886	NC(=O)NCCCC(NC(=O)c1ccccc1)C(=O)O