pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
15.0	Datawarrior	0	-1	Cc1cc(C)[nH]n1	Cc1cc(C)[n-]n1	mol4012	Cc1cc(C)[nH]n1
15.1	AttenGpKa training set	0	-1	Cc1cc(C)[nH]n1	Cc1cc(C)[n-]n1	mol4012	Cc1cc(C)[nH]n1
4.38	IUPAC digitized pKa	1	0	Cc1cc(C)[nH+][nH]1	Cc1cc(C)[nH]n1	mol4012	Cc1cc(C)[nH]n1
4.12	IUPAC digitized pKa	1	0	Cc1cc(C)[nH+][nH]1	Cc1cc(C)[nH]n1	mol4012	Cc1cc(C)[nH]n1
4.32	Datawarrior	1	0	Cc1cc(C)[nH+][nH]1	Cc1cc(C)[nH]n1	mol4012	Cc1cc(C)[nH]n1
4.3200002	OCHEM	1	0	Cc1cc(C)[nH+][nH]1	Cc1cc(C)[nH]n1	mol4012	Cc1cc(C)[nH]n1
4.17000007629395	QSARToolbox	1	0	Cc1cc(C)[nH+][nH]1	Cc1cc(C)[nH]n1	mol4012	Cc1cc(C)[nH]n1
4.09999990463257	QSARToolbox	1	0	Cc1cc(C)[nH+][nH]1	Cc1cc(C)[nH]n1	mol4012	Cc1cc(C)[nH]n1
4.55000019073486	QSARToolbox	1	0	Cc1cc(C)[nH+][nH]1	Cc1cc(C)[nH]n1	mol4012	Cc1cc(C)[nH]n1
4.38000011444092	QSARToolbox	1	0	Cc1cc(C)[nH+][nH]1	Cc1cc(C)[nH]n1	mol4012	Cc1cc(C)[nH]n1
4.19	AttenGpKa training set	1	0	Cc1cc(C)[nH+][nH]1	Cc1cc(C)[nH]n1	mol4012	Cc1cc(C)[nH]n1