pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.29999995231628	QSARToolbox	2	1	COc1cc2c(OCC[NH2+][NH3+])ncnc2c(OC)c1OC	COc1cc2c(OCCNN)[nH+]cnc2c(OC)c1OC,COc1cc2c(OCCN[NH3+])ncnc2c(OC)c1OC,COc1cc2c(OCCNN)nc[nH+]c2c(OC)c1OC,COc1cc2c(OCC[NH2+]N)ncnc2c(OC)c1OC	mol34381	COc1cc2c(OCCNN)ncnc2c(OC)c1OC