pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.37	Datawarrior	0	-1	C=C1C[C@H]1C[C@@H]([NH3+])C(=O)[O-]	C=C1C[C@H]1C[C@@H](N)C(=O)[O-]	mol13049	C=C1CC1CC(N)C(=O)O
9.3699999	OCHEM	0	-1	C=C1C[C@H]1C[C@@H]([NH3+])C(=O)[O-]	C=C1C[C@H]1C[C@@H](N)C(=O)[O-]	mol13049	C=C1CC1CC(N)C(=O)O
2.4	Datawarrior	1	0	C=C1C[C@H]1C[C@@H]([NH3+])C(=O)O	C=C1C[C@H]1C[C@@H]([NH3+])C(=O)[O-]	mol13049	C=C1CC1CC(N)C(=O)O
2.4000001	OCHEM	1	0	C=C1C[C@H]1C[C@@H]([NH3+])C(=O)O	C=C1C[C@H]1C[C@@H]([NH3+])C(=O)[O-]	mol13049	C=C1CC1CC(N)C(=O)O