pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.3	Datawarrior	1	0	Cc1cn2[nH+]c(-c3ccccc3)cc(C)c2n1,Cc1cn2nc(-c3ccccc3)cc(C)c2[nH+]1	Cc1cn2nc(-c3ccccc3)cc(C)c2n1	mol15294	Cc1cn2nc(-c3ccccc3)cc(C)c2n1
5.3000002	OCHEM	1	0	Cc1cn2[nH+]c(-c3ccccc3)cc(C)c2n1,Cc1cn2nc(-c3ccccc3)cc(C)c2[nH+]1	Cc1cn2nc(-c3ccccc3)cc(C)c2n1	mol15294	Cc1cn2nc(-c3ccccc3)cc(C)c2n1
5.30000019073486	QSARToolbox	1	0	Cc1cn2[nH+]c(-c3ccccc3)cc(C)c2n1,Cc1cn2nc(-c3ccccc3)cc(C)c2[nH+]1	Cc1cn2nc(-c3ccccc3)cc(C)c2n1	mol15294	Cc1cn2nc(-c3ccccc3)cc(C)c2n1