pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.02	IUPAC digitized pKa	1	0	CN(C)c1nc[nH+]c2c1cnn2C,CN(C)c1[nH+]cnc2c1cnn2C,CN(C)c1ncnc2c1c[nH+]n2C,Cn1ncc2c([NH+](C)C)ncnc21	CN(C)c1ncnc2c1cnn2C	mol4943	CN(C)c1ncnc2c1cnn2C
4.06	Datawarrior	1	0	CN(C)c1nc[nH+]c2c1cnn2C,CN(C)c1[nH+]cnc2c1cnn2C,CN(C)c1ncnc2c1c[nH+]n2C,Cn1ncc2c([NH+](C)C)ncnc21	CN(C)c1ncnc2c1cnn2C	mol4943	CN(C)c1ncnc2c1cnn2C
4.0599999	OCHEM	1	0	CN(C)c1nc[nH+]c2c1cnn2C,CN(C)c1[nH+]cnc2c1cnn2C,CN(C)c1ncnc2c1c[nH+]n2C,Cn1ncc2c([NH+](C)C)ncnc21	CN(C)c1ncnc2c1cnn2C	mol4943	CN(C)c1ncnc2c1cnn2C
4.05999994277954	QSARToolbox	1	0	CN(C)c1nc[nH+]c2c1cnn2C,CN(C)c1[nH+]cnc2c1cnn2C,CN(C)c1ncnc2c1c[nH+]n2C,Cn1ncc2c([NH+](C)C)ncnc21	CN(C)c1ncnc2c1cnn2C	mol4943	CN(C)c1ncnc2c1cnn2C