pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.8	IUPAC digitized pKa	0	-1	c1ccc(-c2nc[nH]c2-c2ccccc2)cc1	c1ccc(-c2nc[n-]c2-c2ccccc2)cc1	mol3909	c1ccc(-c2nc[nH]c2-c2ccccc2)cc1
12.8000001907349	QSARToolbox	0	-1	c1ccc(-c2nc[nH]c2-c2ccccc2)cc1	c1ccc(-c2nc[n-]c2-c2ccccc2)cc1	mol3909	c1ccc(-c2nc[nH]c2-c2ccccc2)cc1
5.9	IUPAC digitized pKa	1	0	c1ccc(-c2[nH]c[nH+]c2-c2ccccc2)cc1	c1ccc(-c2nc[nH]c2-c2ccccc2)cc1	mol3909	c1ccc(-c2nc[nH]c2-c2ccccc2)cc1
5.90000009536743	QSARToolbox	1	0	c1ccc(-c2[nH]c[nH+]c2-c2ccccc2)cc1	c1ccc(-c2nc[nH]c2-c2ccccc2)cc1	mol3909	c1ccc(-c2nc[nH]c2-c2ccccc2)cc1