pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.21	IUPAC digitized pKa	0	-1	CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	mol11987	CC(=O)NCC(=O)NCC(=O)NCC(=O)NC(Cc1c[nH]cn1)C(=O)O
3.16	IUPAC digitized pKa	1	0	CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)O	CC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-]	mol11987	CC(=O)NCC(=O)NCC(=O)NCC(=O)NC(Cc1c[nH]cn1)C(=O)O