pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.22	Datawarrior	0	-1	O=C1C[C@@H](c2ccccc2)NC(=O)N1	O=C1C[C@@H](c2ccccc2)[N-]C(=O)N1,O=C1C[C@@H](c2ccccc2)NC(=O)[N-]1	mol13387	O=C1CC(c2ccccc2)NC(=O)N1
11.1999998092651	QSARToolbox	0	-1	O=C1C[C@@H](c2ccccc2)NC(=O)N1	O=C1C[C@@H](c2ccccc2)[N-]C(=O)N1,O=C1C[C@@H](c2ccccc2)NC(=O)[N-]1	mol13387	O=C1CC(c2ccccc2)NC(=O)N1
11.2200002670288	QSARToolbox	0	-1	O=C1C[C@@H](c2ccccc2)NC(=O)N1	O=C1C[C@@H](c2ccccc2)[N-]C(=O)N1,O=C1C[C@@H](c2ccccc2)NC(=O)[N-]1	mol13387	O=C1CC(c2ccccc2)NC(=O)N1