pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.32	Baltruschat ChEMBL	2	1	CC(C)[NH2+]C[C@H](O)COc1ccc(-c2[nH]cc(C(C)C)[nH+]2)cc1	CC(C)NC[C@H](O)COc1ccc(-c2[nH]cc(C(C)C)[nH+]2)cc1,CC(C)[NH2+]C[C@H](O)COc1ccc(-c2nc(C(C)C)c[nH]2)cc1	mol19879	CC(C)NCC(O)COc1ccc(-c2nc(C(C)C)c[nH]2)cc1