pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.56	IUPAC digitized pKa	1	0	c1ccc(C[NH+]2CCCC2)nc1	c1ccc(CN2CCCC2)nc1	mol1291	c1ccc(CN2CCCC2)nc1
8.5600004196167	QSARToolbox	1	0	c1ccc(C[NH+]2CCCC2)nc1	c1ccc(CN2CCCC2)nc1	mol1291	c1ccc(CN2CCCC2)nc1
8.6	AttenGpKa training set	1	0	c1ccc(C[NH+]2CCCC2)nc1	c1ccc(CN2CCCC2)nc1	mol1291	c1ccc(CN2CCCC2)nc1
2.54	IUPAC digitized pKa	2	1	c1ccc(C[NH+]2CCCC2)[nH+]c1	c1ccc(C[NH+]2CCCC2)nc1	mol1291	c1ccc(CN2CCCC2)nc1
2.53999996185303	QSARToolbox	2	1	c1ccc(C[NH+]2CCCC2)[nH+]c1	c1ccc(C[NH+]2CCCC2)nc1	mol1291	c1ccc(CN2CCCC2)nc1
2.99	AttenGpKa training set	2	1	c1ccc(C[NH+]2CCCC2)[nH+]c1	c1ccc(C[NH+]2CCCC2)nc1	mol1291	c1ccc(CN2CCCC2)nc1