pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.12	Datawarrior	1	0	[NH3+]c1nnnn1-c1ccccc1,Nc1[nH+]nnn1-c1ccccc1	Nc1nnnn1-c1ccccc1	mol4305	Nc1nnnn1-c1ccccc1
1.12000000476837	QSARToolbox	1	0	[NH3+]c1nnnn1-c1ccccc1,Nc1[nH+]nnn1-c1ccccc1	Nc1nnnn1-c1ccccc1	mol4305	Nc1nnnn1-c1ccccc1