pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.9	Baltruschat ChEMBL	1	0	Cc1ccc[nH+]c1-c1ccc2c(c1)C[C@H](NS(=O)(=O)C(C)C)C2,Cc1cccnc1-c1ccc2c(c1)C[C@H]([NH2+]S(=O)(=O)C(C)C)C2	Cc1cccnc1-c1ccc2c(c1)C[C@H](NS(=O)(=O)C(C)C)C2	mol17383	Cc1cccnc1-c1ccc2c(c1)CC(NS(=O)(=O)C(C)C)C2