pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.95	Datawarrior	0	-1	[NH3+][C@H](Cc1n[nH]c2ccccc12)C(=O)[O-]	N[C@H](Cc1n[nH]c2ccccc12)C(=O)[O-]	mol15789	NC(Cc1n[nH]c2ccccc12)C(=O)O
8.9499998	OCHEM	0	-1	[NH3+][C@H](Cc1n[nH]c2ccccc12)C(=O)[O-]	N[C@H](Cc1n[nH]c2ccccc12)C(=O)[O-]	mol15789	NC(Cc1n[nH]c2ccccc12)C(=O)O
2.2	Datawarrior	2	1	[NH3+][C@H](Cc1[nH+][nH]c2ccccc12)C(=O)O	[NH3+][C@H](Cc1n[nH]c2ccccc12)C(=O)O	mol15789	NC(Cc1n[nH]c2ccccc12)C(=O)O