pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.19999980926514	QSARToolbox	0	-1	COc1ccc(C(=O)[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1	COc1ccc(C(=O)[c-]2c(C)nn(-c3ccccc3)c2=O)cc1	mol30325	COc1ccc(C(=O)C2C(=O)N(c3ccccc3)N=C2C)cc1
4.2	AttenGpKa training set	0	-1	COc1ccc(C(=O)[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1	COc1ccc(C(=O)[c-]2c(C)nn(-c3ccccc3)c2=O)cc1	mol30325	COc1ccc(C(=O)C2C(=O)N(c3ccccc3)N=C2C)cc1