pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.01	Novartis	0	-1	CN1C(=O)N(C[C@H](C(=O)NO)[C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)C1(C)C	CN1C(=O)N(C[C@H](C(=O)N[O-])[C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)C1(C)C	mol2827	CN1C(=O)N(C[C@H](C(=O)NO)[C@@H](CC2CCCC2)C(=O)N2CCCCC2)C(=O)C1(C)C