pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.24	IUPAC digitized pKa	1	0	NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)O	NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)[O-]	mol11887	N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)O
3.38	IUPAC digitized pKa	1	0	NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)O	NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)[O-]	mol11887	N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)O
3.4	IUPAC digitized pKa	1	0	NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)O	NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)[O-]	mol11887	N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)O