pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.26	IUPAC digitized pKa	1	0	c1cncc(C2=[NH+]CCC2)c1	c1cncc(C2=NCCC2)c1	mol5202	c1cncc(C2=NCCC2)c1
8.77	Datawarrior	1	0	c1cncc(C2=[NH+]CCC2)c1	c1cncc(C2=NCCC2)c1	mol5202	c1cncc(C2=NCCC2)c1
8.7700005	OCHEM	1	0	c1cncc(C2=[NH+]CCC2)c1	c1cncc(C2=NCCC2)c1	mol5202	c1cncc(C2=NCCC2)c1
5.5	Baltruschat ChEMBL	1	0	c1cncc(C2=[NH+]CCC2)c1	c1cncc(C2=NCCC2)c1	mol5202	c1cncc(C2=NCCC2)c1
5.23	Baltruschat ChEMBL	1	0	c1cncc(C2=[NH+]CCC2)c1	c1cncc(C2=NCCC2)c1	mol5202	c1cncc(C2=NCCC2)c1
8.77000045776367	QSARToolbox	1	0	c1cncc(C2=[NH+]CCC2)c1	c1cncc(C2=NCCC2)c1	mol5202	c1cncc(C2=NCCC2)c1