pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.96	Baltruschat ChEMBL	2	1	NC(=[OH+])[C@H]1[C@H]2c3ccccc3[C@H](c3ccccc32)[C@@H]1C(N)=[OH+]	NC(=O)[C@H]1[C@H]2c3ccccc3[C@H](c3ccccc32)[C@@H]1C(N)=[OH+]	mol19561	NC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(N)=O