pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.3	Datawarrior	1	0	N#CCC[n+]1ccc(C(N)=O)cc1	N#CC[CH-][n+]1ccc(C(N)=O)cc1,N#CCC[n+]1ccc(C([NH-])=O)cc1	mol13343	N#CCC[n+]1ccc(C(N)=O)cc1
13.3000001907349	QSARToolbox	1	0	N#CCC[n+]1ccc(C(N)=O)cc1	N#CC[CH-][n+]1ccc(C(N)=O)cc1,N#CCC[n+]1ccc(C([NH-])=O)cc1	mol13343	N#CCC[n+]1ccc(C(N)=O)cc1