pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.82	Datawarrior	1	0	Cn1nnnc1[NH3+],Cn1nn[nH+]c1N,Cn1n[nH+]nc1N,Cn1[nH+]nnc1N	Cn1nnnc1N	mol4301	Cn1nnnc1N
1.8200001	OCHEM	1	0	Cn1nnnc1[NH3+],Cn1nn[nH+]c1N,Cn1n[nH+]nc1N,Cn1[nH+]nnc1N	Cn1nnnc1N	mol4301	Cn1nnnc1N
1.82000005245209	QSARToolbox	1	0	Cn1nnnc1[NH3+],Cn1nn[nH+]c1N,Cn1n[nH+]nc1N,Cn1[nH+]nnc1N	Cn1nnnc1N	mol4301	Cn1nnnc1N