pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.2	Baltruschat ChEMBL	1	0	COc1ccc(C(=O)Nc2ccccc2CC[C@@H]2CCCC[NH+]2C)cc1	COc1ccc(C(=O)Nc2ccccc2CC[C@@H]2CCCCN2C)cc1	mol17474	COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1
8.34	Baltruschat ChEMBL	1	0	COc1ccc(C(=O)Nc2ccccc2CC[C@@H]2CCCC[NH+]2C)cc1	COc1ccc(C(=O)Nc2ccccc2CC[C@@H]2CCCCN2C)cc1	mol17474	COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1