pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.44	Datawarrior	1	0	Nc1nn[nH+]n1Cc1ccccc1,[NH3+]c1nnnn1Cc1ccccc1,Nc1n[nH+]nn1Cc1ccccc1,Nc1[nH+]nnn1Cc1ccccc1	Nc1nnnn1Cc1ccccc1	mol4297	Nc1nnnn1Cc1ccccc1
1.4400001	OCHEM	1	0	Nc1nn[nH+]n1Cc1ccccc1,[NH3+]c1nnnn1Cc1ccccc1,Nc1n[nH+]nn1Cc1ccccc1,Nc1[nH+]nnn1Cc1ccccc1	Nc1nnnn1Cc1ccccc1	mol4297	Nc1nnnn1Cc1ccccc1
1.44000005722046	QSARToolbox	1	0	Nc1nn[nH+]n1Cc1ccccc1,[NH3+]c1nnnn1Cc1ccccc1,Nc1n[nH+]nn1Cc1ccccc1,Nc1[nH+]nnn1Cc1ccccc1	Nc1nnnn1Cc1ccccc1	mol4297	Nc1nnnn1Cc1ccccc1