pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.21000003814697	QSARToolbox	0	-1	N#C[C@]12C[C@](C(=O)O)(C1)C2	N#C[C@]12C[C@](C(=O)[O-])(C1)C2	mol22265	N#CC12CC(C(=O)O)(C1)C2
3.21	AttenGpKa training set	0	-1	N#C[C@]12C[C@](C(=O)O)(C1)C2	N#C[C@]12C[C@](C(=O)[O-])(C1)C2	mol22265	N#CC12CC(C(=O)O)(C1)C2