pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.03	Datawarrior	0	-1	O=C1NC(=O)[C@H](Cc2ccccc2)N1	O=C1[N-]C(=O)[C@H](Cc2ccccc2)N1,O=C1[N-][C@@H](Cc2ccccc2)C(=O)N1	mol13386	O=C1NC(=O)C(Cc2ccccc2)N1
9.0299997	OCHEM	0	-1	O=C1NC(=O)[C@H](Cc2ccccc2)N1	O=C1[N-]C(=O)[C@H](Cc2ccccc2)N1,O=C1[N-][C@@H](Cc2ccccc2)C(=O)N1	mol13386	O=C1NC(=O)C(Cc2ccccc2)N1
9.22000026702881	QSARToolbox	0	-1	O=C1NC(=O)[C@H](Cc2ccccc2)N1	O=C1[N-]C(=O)[C@H](Cc2ccccc2)N1,O=C1[N-][C@@H](Cc2ccccc2)C(=O)N1	mol13386	O=C1NC(=O)C(Cc2ccccc2)N1
9.02999973297119	QSARToolbox	0	-1	O=C1NC(=O)[C@H](Cc2ccccc2)N1	O=C1[N-]C(=O)[C@H](Cc2ccccc2)N1,O=C1[N-][C@@H](Cc2ccccc2)C(=O)N1	mol13386	O=C1NC(=O)C(Cc2ccccc2)N1