pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.1	Baltruschat ChEMBL	1	0	CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)C(=O)O)=[NH+]1	CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)C(=O)[O-])=[NH+]1	mol20110	CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)C(=O)O)=N1