pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.55	Datawarrior	1	0	NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12	NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12	mol15793	NC(=O)C(N)Cc1c[nH]c2ccccc12
7.5500002	OCHEM	1	0	NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12	NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12	mol15793	NC(=O)C(N)Cc1c[nH]c2ccccc12