pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	Datawarrior	0	-1	C[C@]12C[C@H](C(=O)O)OC(=O)[C@H]1CC[C@@]1(C)[C@@H]2[C@H]2CC[C@]1(O)C(=O)O2	C[C@]12C[C@H](C(=O)[O-])OC(=O)[C@H]1CC[C@@]1(C)[C@@H]2[C@H]2CC[C@]1(O)C(=O)O2	mol14650	C[C@]12C[C@H](C(=O)O)OC(=O)[C@H]1CC[C@@]1(C)[C@@H]2[C@H]2CCC1(O)C(=O)O2