pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	IUPAC digitized pKa	0	-1	Cc1nc2ccccc2nc1O	Cc1nc2ccccc2nc1[O-]	mol1436	Cc1nc2ccccc2nc1O
9.88	Datawarrior	0	-1	Cc1nc2ccccc2nc1O	Cc1nc2ccccc2nc1[O-]	mol1436	Cc1nc2ccccc2nc1O
9.8800001	OCHEM	0	-1	Cc1nc2ccccc2nc1O	Cc1nc2ccccc2nc1[O-]	mol1436	Cc1nc2ccccc2nc1O
0.48	Datawarrior	1	0	Cc1nc2ccccc2[nH+]c1O,Cc1[nH+]c2ccccc2nc1O	Cc1nc2ccccc2nc1O	mol1436	Cc1nc2ccccc2nc1O
0.47999999	OCHEM	1	0	Cc1nc2ccccc2[nH+]c1O,Cc1[nH+]c2ccccc2nc1O	Cc1nc2ccccc2nc1O	mol1436	Cc1nc2ccccc2nc1O
0.479999989271164	QSARToolbox	1	0	Cc1nc2ccccc2[nH+]c1O,Cc1[nH+]c2ccccc2nc1O	Cc1nc2ccccc2nc1O	mol1436	Cc1nc2ccccc2nc1O