pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.46	IUPAC digitized pKa	1	0	CN(C)c1[nH+]ccc(=O)n1C,Cn1c([NH+](C)C)nccc1=O	CN(C)c1nccc(=O)n1C	mol7394	CN(C)c1nccc(=O)n1C
3.49	AttenGpKa training set	1	0	CN(C)c1[nH+]ccc(=O)n1C,Cn1c([NH+](C)C)nccc1=O	CN(C)c1nccc(=O)n1C	mol7394	CN(C)c1nccc(=O)n1C