pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.13	Datawarrior	1	0	CNc1cccc[nH+]1,C[NH2+]c1ccccn1	CNc1ccccn1	mol12370	CNc1ccccn1
7.1300001	OCHEM	1	0	CNc1cccc[nH+]1,C[NH2+]c1ccccn1	CNc1ccccn1	mol12370	CNc1ccccn1
7.13000011444092	QSARToolbox	1	0	CNc1cccc[nH+]1,C[NH2+]c1ccccn1	CNc1ccccn1	mol12370	CNc1ccccn1
6.40000009536743	QSARToolbox	1	0	CNc1cccc[nH+]1,C[NH2+]c1ccccn1	CNc1ccccn1	mol12370	CNc1ccccn1
7.85	AttenGpKa training set	1	0	CNc1cccc[nH+]1,C[NH2+]c1ccccn1	CNc1ccccn1	mol12370	CNc1ccccn1