pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	Baltruschat ChEMBL	1	0	Cc1cc(-c2cccc(Cl)c2)[nH+]cc1[C@@H]1CCCN1C(=O)c1cncs1,Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)c1c[nH+]cs1	Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)c1cncs1	mol18329	Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1cncs1