pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	Baltruschat ChEMBL	1	0	CCCCCCCCCCCC(=O)NCCCC[C@H]([NH3+])C(=O)OC	CCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)OC	mol19670	CCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)OC
10.0	Baltruschat ChEMBL	1	0	CCCCCCCCCCCC(=O)NCCCC[C@H]([NH3+])C(=O)OC	CCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)OC	mol19670	CCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)OC