pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.09	Datawarrior	0	-1	Cc1ccccc1-c1nnn[nH]1	Cc1ccccc1-c1nnn[n-]1	mol12754	Cc1ccccc1-c1nnn[nH]1
4.0900002	OCHEM	0	-1	Cc1ccccc1-c1nnn[nH]1	Cc1ccccc1-c1nnn[n-]1	mol12754	Cc1ccccc1-c1nnn[nH]1
4.09000015258789	QSARToolbox	0	-1	Cc1ccccc1-c1nnn[nH]1	Cc1ccccc1-c1nnn[n-]1	mol12754	Cc1ccccc1-c1nnn[nH]1