pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.57	Datawarrior	0	-1	Cc1cc2nnn(O)c2cc1Cl	Cc1cc2nnn([O-])c2cc1Cl	mol12858	Cc1cc2nnn(O)c2cc1Cl
4.5700002	OCHEM	0	-1	Cc1cc2nnn(O)c2cc1Cl	Cc1cc2nnn([O-])c2cc1Cl	mol12858	Cc1cc2nnn(O)c2cc1Cl
4.57000017166138	QSARToolbox	0	-1	Cc1cc2nnn(O)c2cc1Cl	Cc1cc2nnn([O-])c2cc1Cl	mol12858	Cc1cc2nnn(O)c2cc1Cl