pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.57	IUPAC digitized pKa	1	0	Cc1nc2ccccc2c(C(N)=O)[nH+]1,Cc1nc(C(N)=O)c2ccccc2[nH+]1	Cc1nc(C(N)=O)c2ccccc2n1	mol7854	Cc1nc(C(N)=O)c2ccccc2n1
1.57000005245209	QSARToolbox	1	0	Cc1nc2ccccc2c(C(N)=O)[nH+]1,Cc1nc(C(N)=O)c2ccccc2[nH+]1	Cc1nc(C(N)=O)c2ccccc2n1	mol7854	Cc1nc(C(N)=O)c2ccccc2n1
4.3600001335144	QSARToolbox	1	0	Cc1nc2ccccc2c(C(N)=O)[nH+]1,Cc1nc(C(N)=O)c2ccccc2[nH+]1	Cc1nc(C(N)=O)c2ccccc2n1	mol7854	Cc1nc(C(N)=O)c2ccccc2n1
4.4	AttenGpKa training set	1	0	Cc1nc2ccccc2c(C(N)=O)[nH+]1,Cc1nc(C(N)=O)c2ccccc2[nH+]1	Cc1nc(C(N)=O)c2ccccc2n1	mol7854	Cc1nc(C(N)=O)c2ccccc2n1