pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	Novartis	1	0	Nc1[nH+]cnc2ccc(-c3ccnc(F)c3)nc12,Nc1ncnc2ccc(-c3ccnc(F)c3)[nH+]c12,Nc1ncnc2ccc(-c3cc[nH+]c(F)c3)nc12,Nc1nc[nH+]c2ccc(-c3ccnc(F)c3)nc12,[NH3+]c1ncnc2ccc(-c3ccnc(F)c3)nc12	Nc1ncnc2ccc(-c3ccnc(F)c3)nc12	mol2972	Nc1ncnc2ccc(-c3ccnc(F)c3)nc12