pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	Baltruschat ChEMBL	0	-1	CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1	CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1	mol17580	CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1