pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	Baltruschat ChEMBL	1	0	C[C@@H](NOC[C@@H](O)C[NH2+]C(C)(C)C)C1CC1	C[C@@H](NOC[C@@H](O)CNC(C)(C)C)C1CC1	mol17348	CC(NOCC(O)CNC(C)(C)C)C1CC1