pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.0	Baltruschat ChEMBL	2	1	CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(C[NH+]4CCS(=O)(=O)CC4)[nH+]3)cc2)C1=O	CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(C[NH+]4CCS(=O)(=O)CC4)n3)cc2)C1=O	mol21384	CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCS(=O)(=O)CC4)n3)cc2)C1=O