pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.25	IUPAC digitized pKa	0	-1	Sc1ccc2ccccc2n1	[S-]c1ccc2ccccc2n1	mol4433	Sc1ccc2ccccc2n1
10.21	Datawarrior	0	-1	Sc1ccc2ccccc2n1	[S-]c1ccc2ccccc2n1	mol4433	Sc1ccc2ccccc2n1
10.210000038147	QSARToolbox	0	-1	Sc1ccc2ccccc2n1	[S-]c1ccc2ccccc2n1	mol4433	Sc1ccc2ccccc2n1
10.22	AttenGpKa training set	0	-1	Sc1ccc2ccccc2n1	[S-]c1ccc2ccccc2n1	mol4433	Sc1ccc2ccccc2n1
-1.44	Datawarrior	1	0	Sc1ccc2ccccc2[nH+]1	Sc1ccc2ccccc2n1	mol4433	Sc1ccc2ccccc2n1
-1.4400001	OCHEM	1	0	Sc1ccc2ccccc2[nH+]1	Sc1ccc2ccccc2n1	mol4433	Sc1ccc2ccccc2n1
-1.44000005722046	QSARToolbox	1	0	Sc1ccc2ccccc2[nH+]1	Sc1ccc2ccccc2n1	mol4433	Sc1ccc2ccccc2n1
1.25	QSARToolbox	1	0	Sc1ccc2ccccc2[nH+]1	Sc1ccc2ccccc2n1	mol4433	Sc1ccc2ccccc2n1