pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.95	Datawarrior	0	-1	Oc1ccc2cnncc2c1	[O-]c1ccc2cnncc2c1	mol14002	Oc1ccc2cnncc2c1
7.9499998	OCHEM	0	-1	Oc1ccc2cnncc2c1	[O-]c1ccc2cnncc2c1	mol14002	Oc1ccc2cnncc2c1
3.94	Datawarrior	1	0	Oc1ccc2c[nH+]ncc2c1,Oc1ccc2cn[nH+]cc2c1	Oc1ccc2cnncc2c1	mol14002	Oc1ccc2cnncc2c1
3.9400001	OCHEM	1	0	Oc1ccc2c[nH+]ncc2c1,Oc1ccc2cn[nH+]cc2c1	Oc1ccc2cnncc2c1	mol14002	Oc1ccc2cnncc2c1
3.94000005722046	QSARToolbox	1	0	Oc1ccc2c[nH+]ncc2c1,Oc1ccc2cn[nH+]cc2c1	Oc1ccc2cnncc2c1	mol14002	Oc1ccc2cnncc2c1