pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.77	Baltruschat ChEMBL	1	0	Nc1nc(NCc2ccccc2)cc(Oc2ccc(Cl)cc2)[nH+]1,Nc1nc(Oc2ccc(Cl)cc2)cc(NCc2ccccc2)[nH+]1,Nc1nc([NH2+]Cc2ccccc2)cc(Oc2ccc(Cl)cc2)n1,[NH3+]c1nc(NCc2ccccc2)cc(Oc2ccc(Cl)cc2)n1	Nc1nc(NCc2ccccc2)cc(Oc2ccc(Cl)cc2)n1	mol19109	Nc1nc(NCc2ccccc2)cc(Oc2ccc(Cl)cc2)n1