pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6399999	OCHEM	1	0	S=C(N=[NH+]c1ccccc1)NNc1ccccc1,S=C(N=Nc1ccccc1)N[NH2+]c1ccccc1	S=C(N=Nc1ccccc1)NNc1ccccc1	mol32617	S=C(N=Nc1ccccc1)NNc1ccccc1
4.46000003814697	QSARToolbox	1	0	S=C(N=[NH+]c1ccccc1)NNc1ccccc1,S=C(N=Nc1ccccc1)N[NH2+]c1ccccc1	S=C(N=Nc1ccccc1)NNc1ccccc1	mol32617	S=C(N=Nc1ccccc1)NNc1ccccc1
4.82000017166138	QSARToolbox	1	0	S=C(N=[NH+]c1ccccc1)NNc1ccccc1,S=C(N=Nc1ccccc1)N[NH2+]c1ccccc1	S=C(N=Nc1ccccc1)NNc1ccccc1	mol32617	S=C(N=Nc1ccccc1)NNc1ccccc1