pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	Baltruschat ChEMBL	1	0	CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(CNC(=O)O[C@@H]3CC[NH2+]CC3(F)F)c2cn1,CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(CNC(=O)O[C@@H]3CCNCC3(F)F)c2c[nH+]1,CCNC(=O)Nc1cc2c(-c3cc[nH+]c(C)c3)ccc(CNC(=O)O[C@@H]3CCNCC3(F)F)c2cn1	CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(CNC(=O)O[C@@H]3CCNCC3(F)F)c2cn1	mol17393	CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(CNC(=O)OC3CCNCC3(F)F)c2cn1