pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1700001	OCHEM	1	0	Cc1ccc2c(c1)ncn2[C@@H]1OC[C@H](O)[C@H](O)[C@H]1[OH2+],Cc1ccc2c(c1)ncn2[C@@H]1OC[C@H]([OH2+])[C@H](O)[C@H]1O,Cc1ccc2c(c1)ncn2[C@@H]1OC[C@H](O)[C@H]([OH2+])[C@H]1O,Cc1ccc2c(c1)[nH+]cn2[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	Cc1ccc2c(c1)ncn2[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	mol32620	Cc1ccc2c(c1)ncn2C1OCC(O)C(O)C1O