pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.91	Baltruschat ChEMBL	1	0	COc1cc(C(=O)O[C@@H]2CCC[C@@H]3CC[NH+](C)C[C@@H]32)cc(OC)c1OC	COc1cc(C(=O)O[C@@H]2CCC[C@@H]3CCN(C)C[C@@H]32)cc(OC)c1OC	mol20078	COc1cc(C(=O)O[C@@H]2CCC[C@@H]3CCN(C)C[C@@H]32)cc(OC)c1OC