pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.0	Baltruschat ChEMBL	1	0	COc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)c1c[nH+]cs1,COc1cc(-c2cccc(Cl)c2)[nH+]cc1[C@H]1CCCN1C(=O)c1cncs1	COc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)c1cncs1	mol18332	COc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1