pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3000002	OCHEM	1	0	CC[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([N+](C)(C)O)[C@@H]2O)[C@@]2(C)C[C@H](C)[C@@]3(O2)O[C@@]1(C)C=C3C	CC[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([N+](C)(C)[O-])[C@@H]2O)[C@@]2(C)C[C@H](C)[C@@]3(O2)O[C@@]1(C)C=C3C	mol32540	CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC([N+](C)(C)O)C2O)C2(C)CC(C)C3(OC1(C)C=C3C)O2