pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	OCHEM	2	1	Cc1cc(C)[nH+]c(Nc2cc(NC[C@@H]([NH3+])C(F)(F)F)cnc2C(N)=O)c1,Cc1cc(C)nc([NH2+]c2cc(NC[C@@H]([NH3+])C(F)(F)F)cnc2C(N)=O)c1	Cc1cc(C)nc(Nc2cc(NC[C@@H]([NH3+])C(F)(F)F)cnc2C(N)=O)c1,Cc1cc(C)[nH+]c(Nc2cc(NC[C@@H](N)C(F)(F)F)cnc2C(N)=O)c1	mol17170	Cc1cc(C)nc(Nc2cc(NC[C@@H](N)C(F)(F)F)cnc2C(N)=O)c1