pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.17	Datawarrior	1	0	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	mol15528	Cc1ccc2c(c1)ncn2[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O