pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.18	Datawarrior	1	0	Nc1ccc(Oc2ccc([NH3+])cc2)cc1	Nc1ccc(Oc2ccc(N)cc2)cc1	mol15738	Nc1ccc(Oc2ccc(N)cc2)cc1
5.1799998	OCHEM	1	0	Nc1ccc(Oc2ccc([NH3+])cc2)cc1	Nc1ccc(Oc2ccc(N)cc2)cc1	mol15738	Nc1ccc(Oc2ccc(N)cc2)cc1
3.74	AttenGpKa training set	1	0	Nc1ccc(Oc2ccc([NH3+])cc2)cc1	Nc1ccc(Oc2ccc(N)cc2)cc1	mol15738	Nc1ccc(Oc2ccc(N)cc2)cc1
4.75	AttenGpKa training set	1	0	Nc1ccc(Oc2ccc([NH3+])cc2)cc1	Nc1ccc(Oc2ccc(N)cc2)cc1	mol15738	Nc1ccc(Oc2ccc(N)cc2)cc1