pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.55	OCHEM	0	-1	CC(=O)Nc1ccc2nc(SCCN(C)C)ccc2c1	CC(=O)[N-]c1ccc2nc(SCCN(C)C)ccc2c1	mol18353	CC(=O)Nc1ccc2nc(SCCN(C)C)ccc2c1
4.33	OCHEM	2	1	CC(=O)Nc1ccc2[nH+]c(SCC[NH+](C)C)ccc2c1	CC(=O)Nc1ccc2nc(SCC[NH+](C)C)ccc2c1	mol18353	CC(=O)Nc1ccc2nc(SCCN(C)C)ccc2c1