pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.45	IUPAC digitized pKa	1	0	C[C@H](C(=O)C(c1ccccc1)c1ccccc1)[NH+]1CCCCC1	C[C@H](C(=O)C(c1ccccc1)c1ccccc1)N1CCCCC1	mol3575	CC(C(=O)C(c1ccccc1)c1ccccc1)N1CCCCC1