pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.63	Datawarrior	1	0	COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1OC(=O)c1ccccc1)[NH+]2C	COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1OC(=O)c1ccccc1)N2C	mol15040	COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1OC(=O)c1ccccc1)N2C