pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.07	Baltruschat ChEMBL	1	0	C[n+]1c2ccccc2c(Nc2ccc(NS(C)(=O)=O)cc2)c2ccc(N)cc21	C[n+]1c2ccccc2c(Nc2ccc([N-]S(C)(=O)=O)cc2)c2ccc(N)cc21	mol17700	C[n+]1c2ccccc2c(Nc2ccc(NS(C)(=O)=O)cc2)c2ccc(N)cc21
