pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	Baltruschat ChEMBL	0	-1	COC(=O)N(C)CSc1[nH]cnc2ncnc1-2	COC(=O)N(C)CSc1[n-]cnc2ncnc1-2	mol21004	COC(=O)N(C)CSc1[nH]cnc2ncnc1-2