pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.19	Baltruschat ChEMBL	0	-1	O=C1NC(=O)[C@@H](Cc2ccccc2)S1	O=C1[N-]C(=O)[C@@H](Cc2ccccc2)S1	mol17272	O=C1NC(=O)C(Cc2ccccc2)S1
6.40000009536743	QSARToolbox	0	-1	O=C1NC(=O)[C@@H](Cc2ccccc2)S1	O=C1[N-]C(=O)[C@@H](Cc2ccccc2)S1	mol17272	O=C1NC(=O)C(Cc2ccccc2)S1