pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.44	Settimo	1	0	CO[C@H]1[C@H](O[C@H]2O[C@@H](C)[C@H](O)[C@H]([NH+](C)C)[C@H]2O)[C@H](CC=O)C[C@H](C)C(=O)/C=C/[C@H]2O[C@H]2C[C@H](C)OC(=O)C[C@H]1OC(C)=O	CO[C@H]1[C@H](O[C@H]2O[C@@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CC=O)C[C@H](C)C(=O)/C=C/[C@H]2O[C@H]2C[C@H](C)OC(=O)C[C@H]1OC(C)=O	mol70	COC1C(OC(C)=O)CC(=O)OC(C)CC2OC2/C=C/C(=O)C(C)CC(CC=O)C1OC1OC(C)C(O)C(N(C)C)C1O