pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.52	IUPAC digitized pKa	1	0	CC(C)[NH2+]C[C@@H](O)c1ccccc1N	CC(C)NC[C@@H](O)c1ccccc1N	mol6044	CC(C)NCC(O)c1ccccc1N
3.11	IUPAC digitized pKa	2	1	CC(C)[NH2+]C[C@@H](O)c1ccccc1[NH3+]	CC(C)[NH2+]C[C@@H](O)c1ccccc1N	mol6044	CC(C)NCC(O)c1ccccc1N