pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.75	OCHEM	1	0	CCOc1cc(CC(=O)N[C@H](CC(C)C)c2ccccc2[NH+]2CCCCC2)ccc1C(=O)O	CCOc1cc(CC(=O)N[C@H](CC(C)C)c2ccccc2[NH+]2CCCCC2)ccc1C(=O)[O-]	mol370	CCOc1cc(CC(=O)NC(CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O