pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	Datawarrior	0	-1	O=C1NC(=O)C(=Cc2ccccc2)N1	O=C1[N-]C(=O)C(=Cc2ccccc2)N1,O=C1[N-]C(=Cc2ccccc2)C(=O)N1	mol13385	O=C1NC(=O)C(=Cc2ccccc2)N1
8.6000004	OCHEM	0	-1	O=C1NC(=O)C(=Cc2ccccc2)N1	O=C1[N-]C(=O)C(=Cc2ccccc2)N1,O=C1[N-]C(=Cc2ccccc2)C(=O)N1	mol13385	O=C1NC(=O)C(=Cc2ccccc2)N1
8.60000038146973	QSARToolbox	0	-1	O=C1NC(=O)C(=Cc2ccccc2)N1	O=C1[N-]C(=O)C(=Cc2ccccc2)N1,O=C1[N-]C(=Cc2ccccc2)C(=O)N1	mol13385	O=C1NC(=O)C(=Cc2ccccc2)N1