pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.9000001	OCHEM	2	1	C[C@@H]1O[C@H](O[C@@H]2CC[C@@H]([n+]3ccc([NH3+])nc3O)O[C@@H]2C)[C@H](O)[C@@H](O)[C@H]1N(C)C,C[C@@H]1O[C@H](O[C@@H]2CC[C@@H]([n+]3ccc(N)nc3O)O[C@@H]2C)[C@H]([OH2+])[C@@H](O)[C@H]1N(C)C,C[C@@H]1O[C@H](O[C@@H]2CC[C@@H]([n+]3ccc(N)nc3O)O[C@@H]2C)[C@H](O)[C@@H](O)[C@H]1[NH+](C)C	C[C@@H]1O[C@H](O[C@@H]2CC[C@@H]([n+]3ccc(N)nc3[O-])O[C@@H]2C)[C@H](O)[C@@H](O)[C@H]1[NH+](C)C	mol32536	CC1OC([n+]2ccc(N)nc2O)CCC1OC1OC(C)C(N(C)C)C(O)C1O