pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.27	Baltruschat ChEMBL	2	1	CCON1CCN/C1=[NH+]\c1ccc(NC(=O)Nc2ccc(/[NH+]=C3\NCCN3OCC)cc2)cc1	CCON1CCN/C1=N\c1ccc(NC(=O)Nc2ccc(/[NH+]=C3\NCCN3OCC)cc2)cc1	mol18463	CCON1CCN/C1=N\c1ccc(NC(=O)Nc2ccc(/N=C3\NCCN3OCC)cc2)cc1