pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.46000003814697	QSARToolbox	1	0	C[C@H](C(=O)CC[NH+](C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	C[C@H](C(=O)CCN(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O	mol38407	CC(C(=O)CCN(C)C)N1C(=O)C2CC=CCC2C1=O