pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.8	Baltruschat ChEMBL	1	0	CCCS(=O)(=O)[NH2+]c1ccc(F)c(NC(=O)Nc2ncnc3[nH]nc(OC)c23)c1F,CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2ncnc3[nH][nH+]c(OC)c23)c1F,CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2nc[nH+]c3[nH]nc(OC)c23)c1F,CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2[nH+]cnc3[nH]nc(OC)c23)c1F	CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2ncnc3[nH]nc(OC)c23)c1F	mol18077	CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2ncnc3[nH]nc(OC)c23)c1F