pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.74	IUPAC digitized pKa	1	0	CC(C)[NH2+]C[C@@H](O)c1ccc(N)cc1	CC(C)NC[C@@H](O)c1ccc(N)cc1	mol6045	CC(C)NCC(O)c1ccc(N)cc1
4.03	IUPAC digitized pKa	2	1	CC(C)[NH2+]C[C@@H](O)c1ccc([NH3+])cc1	CC(C)[NH2+]C[C@@H](O)c1ccc(N)cc1	mol6045	CC(C)NCC(O)c1ccc(N)cc1