pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	Datawarrior	0	-1	Oc1cc2cccnc2c2cccnc12	[O-]c1cc2cccnc2c2cccnc12	mol15808	Oc1cc2cccnc2c2cccnc12
3.9	Datawarrior	1	0	Oc1cc2cccnc2c2ccc[nH+]c12,Oc1cc2ccc[nH+]c2c2cccnc12	Oc1cc2cccnc2c2cccnc12	mol15808	Oc1cc2cccnc2c2cccnc12
3.9000001	OCHEM	1	0	Oc1cc2cccnc2c2ccc[nH+]c12,Oc1cc2ccc[nH+]c2c2cccnc12	Oc1cc2cccnc2c2cccnc12	mol15808	Oc1cc2cccnc2c2cccnc12
3.90000009536743	QSARToolbox	1	0	Oc1cc2cccnc2c2ccc[nH+]c12,Oc1cc2ccc[nH+]c2c2cccnc12	Oc1cc2cccnc2c2cccnc12	mol15808	Oc1cc2cccnc2c2cccnc12