pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	Baltruschat ChEMBL	2	1	O=C(CC[NH+]1CCCC[C@H]1CO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[NH+]3CCCC[C@@H]3CO)cc1C2=O	O=C(CCN1CCCC[C@H]1CO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CC[NH+]3CCCC[C@@H]3CO)cc1C2=O	mol16437	O=C(CCN1CCCCC1CO)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCC3CO)cc1C2=O