pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.97000002861023	QSARToolbox	0	-1	CCCC(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1C	CCCC(=O)[c-]1c(C)nn(-c2ccccc2)c1=O	mol30301	CCCC(=O)C1C(=O)N(c2ccccc2)N=C1C
4.15	AttenGpKa training set	0	-1	CCCC(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1C	CCCC(=O)[c-]1c(C)nn(-c2ccccc2)c1=O	mol30301	CCCC(=O)C1C(=O)N(c2ccccc2)N=C1C