pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.53	Datawarrior	0	-1	N#Cc1ccc(C(=O)O)cc1	N#Cc1ccc(C(=O)[O-])cc1	mol2042	N#Cc1ccc(C(=O)O)cc1
3.55	Organic Oxygen Acids and Nitrogen Bases	0	-1	N#Cc1ccc(C(=O)O)cc1	N#Cc1ccc(C(=O)[O-])cc1	mol2042	N#Cc1ccc(C(=O)O)cc1
3.54999995231628	QSARToolbox	0	-1	N#Cc1ccc(C(=O)O)cc1	N#Cc1ccc(C(=O)[O-])cc1	mol2042	N#Cc1ccc(C(=O)O)cc1
3.5699999332428	QSARToolbox	0	-1	N#Cc1ccc(C(=O)O)cc1	N#Cc1ccc(C(=O)[O-])cc1	mol2042	N#Cc1ccc(C(=O)O)cc1
3.50999999046326	QSARToolbox	0	-1	N#Cc1ccc(C(=O)O)cc1	N#Cc1ccc(C(=O)[O-])cc1	mol2042	N#Cc1ccc(C(=O)O)cc1
3.53999996185303	QSARToolbox	0	-1	N#Cc1ccc(C(=O)O)cc1	N#Cc1ccc(C(=O)[O-])cc1	mol2042	N#Cc1ccc(C(=O)O)cc1
3.5	QSARToolbox	0	-1	N#Cc1ccc(C(=O)O)cc1	N#Cc1ccc(C(=O)[O-])cc1	mol2042	N#Cc1ccc(C(=O)O)cc1