pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.5	QSARToolbox	1	0	Cc1cc2nn([C@H]3C[C@H](O)[C@@H](CO)O3)[nH+]c2cc1C,Cc1cc2nn([C@H]3C[C@H](O)[C@@H](C[OH2+])O3)nc2cc1C	Cc1cc2nn([C@H]3C[C@H](O)[C@@H](CO)O3)nc2cc1C	mol38436	Cc1cc2nn([C@H]3C[C@H](O)[C@@H](CO)O3)nc2cc1C