pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.57999992370606	QSARToolbox	1	0	Cc1cc2[nH+]cn([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c2cc1C,Cc1cc2ncn([C@@H]3OC[C@H](O)[C@H](O)[C@H]3[OH2+])c2cc1C	Cc1cc2ncn([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c2cc1C	mol35492	Cc1cc2ncn([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c2cc1C