pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.76	Datawarrior	1	0	Cc1ccc([C@H]2C[NH2+]2)cc1	Cc1ccc([C@H]2CN2)cc1	mol13174	Cc1ccc(C2CN2)cc1
6.7600002	OCHEM	1	0	Cc1ccc([C@H]2C[NH2+]2)cc1	Cc1ccc([C@H]2CN2)cc1	mol13174	Cc1ccc(C2CN2)cc1
6.76000022888184	QSARToolbox	1	0	Cc1ccc([C@H]2C[NH2+]2)cc1	Cc1ccc([C@H]2CN2)cc1	mol13174	Cc1ccc(C2CN2)cc1
