pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	Baltruschat ChEMBL	2	1	C[n+]1c2ccccc2c(Nc2ccc(NS(=O)(=O)CCNC(=O)CC[NH3+])cc2)c2ccccc21	C[n+]1c2ccccc2c(Nc2ccc(NS(=O)(=O)CCNC(=O)CCN)cc2)c2ccccc21	mol17685	C[n+]1c2ccccc2c(Nc2ccc(NS(=O)(=O)CCNC(=O)CCN)cc2)c2ccccc21