pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.59	IUPAC digitized pKa	1	0	Nc1nc(OCc2ccccc2)c2nccnc2[nH+]1,[NH3+]c1nc(OCc2ccccc2)c2nccnc2n1,Nc1nc(OCc2ccccc2)c2ncc[nH+]c2n1,Nc1nc(OCc2ccccc2)c2[nH+]ccnc2n1,Nc1nc2nccnc2c(OCc2ccccc2)[nH+]1	Nc1nc(OCc2ccccc2)c2nccnc2n1	mol4710	Nc1nc(OCc2ccccc2)c2nccnc2n1