pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.18	IUPAC digitized pKa	0	-1	CC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-]	CC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	mol8540	CC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
3.08	IUPAC digitized pKa	2	1	CC(=O)NCC(=O)NCC(=[OH+])N[C@@H](Cc1c[nH+]c[nH]1)C(=O)O,CC(=O)NCC(=[OH+])NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)O,CC(=[OH+])NCC(=O)NCC(=[OH+])N[C@@H](Cc1cnc[nH]1)C(=O)O,CC(=[OH+])NCC(=O)NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)O	CC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)O	mol8540	CC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O