pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.75	Baltruschat ChEMBL	2	1	CC(C)[NH2+]C[C@@H](O)COc1ccc(Cc2[nH]cc(Br)[nH+]2)cc1	CC(C)NC[C@@H](O)COc1ccc(Cc2[nH]cc(Br)[nH+]2)cc1,CC(C)[NH2+]C[C@@H](O)COc1ccc(Cc2nc(Br)c[nH]2)cc1	mol19882	CC(C)NCC(O)COc1ccc(Cc2nc(Br)c[nH]2)cc1