pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	Datawarrior	1	0	Nc1c2ccccc2nc2c([NH3+])cccc12,Nc1c2ccccc2[nH+]c2c(N)cccc12,Nc1cccc2c([NH3+])c3ccccc3nc12	Nc1c2ccccc2nc2c(N)cccc12	mol14521	Nc1c2ccccc2nc2c(N)cccc12
9.3000002	OCHEM	1	0	Nc1c2ccccc2nc2c([NH3+])cccc12,Nc1c2ccccc2[nH+]c2c(N)cccc12,Nc1cccc2c([NH3+])c3ccccc3nc12	Nc1c2ccccc2nc2c(N)cccc12	mol14521	Nc1c2ccccc2nc2c(N)cccc12
9.30000019073486	QSARToolbox	1	0	Nc1c2ccccc2nc2c([NH3+])cccc12,Nc1c2ccccc2[nH+]c2c(N)cccc12,Nc1cccc2c([NH3+])c3ccccc3nc12	Nc1c2ccccc2nc2c(N)cccc12	mol14521	Nc1c2ccccc2nc2c(N)cccc12