pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.15	Baltruschat ChEMBL	1	0	COc1cc(NS(=O)(=O)OC)ccc1[NH2+]c1c2ccccc2nc2c(CCC(N)=O)cccc12,COc1cc(NS(=O)(=O)OC)ccc1Nc1c2ccccc2[nH+]c2c(CCC(N)=O)cccc12	COc1cc(NS(=O)(=O)OC)ccc1Nc1c2ccccc2nc2c(CCC(N)=O)cccc12	mol21347	COc1cc(NS(=O)(=O)OC)ccc1Nc1c2ccccc2nc2c(CCC(N)=O)cccc12