pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.28	Datawarrior	0	-1	N#CC(C#N)=C([O-])c1ccc([NH3+])cc1,N#CC(C#N)=C(O)c1ccc(N)cc1	N#CC(C#N)=C([O-])c1ccc(N)cc1	mol13319	N#CC(C#N)=C(O)c1ccc(N)cc1
4.2800002	OCHEM	0	-1	N#CC(C#N)=C([O-])c1ccc([NH3+])cc1,N#CC(C#N)=C(O)c1ccc(N)cc1	N#CC(C#N)=C([O-])c1ccc(N)cc1	mol13319	N#CC(C#N)=C(O)c1ccc(N)cc1