pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.3	Baltruschat ChEMBL	1	0	CCNC(=O)Nc1cc2c(-c3ccncc3)ccc(CNC(=O)OCC[NH+]3CCOCC3)c2cn1,CCNC(=O)Nc1cc2c(-c3cc[nH+]cc3)ccc(CNC(=O)OCCN3CCOCC3)c2cn1	CCNC(=O)Nc1cc2c(-c3ccncc3)ccc(CNC(=O)OCCN3CCOCC3)c2cn1	mol17396	CCNC(=O)Nc1cc2c(-c3ccncc3)ccc(CNC(=O)OCCN3CCOCC3)c2cn1