pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.27	IUPAC digitized pKa	1	0	CC(C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1	CC(C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1	mol6226	CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1