pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.44000005722046	QSARToolbox	0	-1	C[C@H](SC#N)C(=O)O	C[C@H](SC#N)C(=O)[O-]	mol22247	CC(SC#N)C(=O)O
2.44	AttenGpKa training set	0	-1	C[C@H](SC#N)C(=O)O	C[C@H](SC#N)C(=O)[O-]	mol22247	CC(SC#N)C(=O)O