pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.22	Datawarrior	0	-1	[NH3+][C@@H](Cc1ccncc1)C(=O)[O-]	N[C@@H](Cc1ccncc1)C(=O)[O-]	mol12600	NC(Cc1ccncc1)C(=O)O
9.2200003	OCHEM	0	-1	[NH3+][C@@H](Cc1ccncc1)C(=O)[O-]	N[C@@H](Cc1ccncc1)C(=O)[O-]	mol12600	NC(Cc1ccncc1)C(=O)O
9.22000026702881	QSARToolbox	0	-1	[NH3+][C@@H](Cc1ccncc1)C(=O)[O-]	N[C@@H](Cc1ccncc1)C(=O)[O-]	mol12600	NC(Cc1ccncc1)C(=O)O