pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.59	Baltruschat ChEMBL	2	1	[NH3+]CCCCCCCC(=O)Nc1c2ccccc2[nH+]c2ccccc12	[NH3+]CCCCCCCC(=O)Nc1c2ccccc2nc2ccccc12,NCCCCCCCC(=O)Nc1c2ccccc2[nH+]c2ccccc12	mol20430	NCCCCCCCC(=O)Nc1c2ccccc2nc2ccccc12