pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	QSARToolbox	0	-1	COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2	COc1cc2c(c(OC)c1[O-])-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2	mol33950	COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2