pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1	Baltruschat ChEMBL	1	0	C[NH+]1[C@@H]2COC[C@H]1C[C@H](NC(=O)N1CC(C)(C)c3ccccc31)C2	CN1[C@@H]2COC[C@H]1C[C@H](NC(=O)N1CC(C)(C)c3ccccc31)C2	mol20000	CN1C2COCC1CC(NC(=O)N1CC(C)(C)c3ccccc31)C2