pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.24	Datawarrior	1	0	COc1ccc(OC)c2c1[nH+]c(CO)n2C	COc1ccc(OC)c2c1nc(CO)n2C	mol14554	COc1ccc(OC)c2c1nc(CO)n2C
5.2399998	OCHEM	1	0	COc1ccc(OC)c2c1[nH+]c(CO)n2C	COc1ccc(OC)c2c1nc(CO)n2C	mol14554	COc1ccc(OC)c2c1nc(CO)n2C
5.23999977111816	QSARToolbox	1	0	COc1ccc(OC)c2c1[nH+]c(CO)n2C	COc1ccc(OC)c2c1nc(CO)n2C	mol14554	COc1ccc(OC)c2c1nc(CO)n2C