pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.65	Baltruschat ChEMBL	2	1	CC(C)(C)[NH2+]C[C@H](O)COc1ccc(Cc2[nH]cc(-c3cccs3)[nH+]2)cc1	CC(C)(C)[NH2+]C[C@H](O)COc1ccc(Cc2nc(-c3cccs3)c[nH]2)cc1,CC(C)(C)NC[C@H](O)COc1ccc(Cc2[nH]cc(-c3cccs3)[nH+]2)cc1	mol19892	CC(C)(C)NCC(O)COc1ccc(Cc2nc(-c3cccs3)c[nH]2)cc1