pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Baltruschat ChEMBL	1	0	CCNC(=O)Nc1cc2c(-c3cc[nH+]cc3)ccc(CNC(=O)OCCNC)c2cn1,CCNC(=O)Nc1cc2c(-c3ccncc3)ccc(CNC(=O)OCC[NH2+]C)c2cn1,CCNC(=O)Nc1cc2c(-c3ccncc3)ccc(CNC(=O)OCCNC)c2c[nH+]1	CCNC(=O)Nc1cc2c(-c3ccncc3)ccc(CNC(=O)OCCNC)c2cn1	mol17395	CCNC(=O)Nc1cc2c(-c3ccncc3)ccc(CNC(=O)OCCNC)c2cn1