pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1	Baltruschat ChEMBL	1	0	N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)C3([NH3+])CCCCC3)cc2)cc1	N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)C3(N)CCCCC3)cc2)cc1	mol16518	N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)C3(N)CCCCC3)cc2)cc1