pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.1	Datawarrior	2	1	NC(=O)N/N=C/c1[nH+]c[nH+]c2nc[nH]c12,NC(=O)N/[NH+]=C/c1nc[nH+]c2nc[nH]c12,NC(=O)N/N=C/c1nc[nH+]c2[nH+]c[nH]c12,NC(=O)N/N=C/c1[nH+]cnc2[nH+]c[nH]c12,NC(=O)N/[NH+]=C/c1ncnc2[nH+]c[nH]c12,NC(=O)N/[NH+]=C/c1[nH+]cnc2nc[nH]c12	NC(=O)N/N=C/c1nc[nH+]c2nc[nH]c12,NC(=O)N/N=C/c1[nH+]cnc2nc[nH]c12,NC(=O)N/N=C/c1ncnc2[nH+]c[nH]c12,NC(=O)N/[NH+]=C/c1ncnc2nc[nH]c12	mol15797	NC(=O)N/N=C/c1ncnc2nc[nH]c12
9.1	Datawarrior	-1	-2	NC(=O)N/N=C/c1ncnc2nc[n-]c12,NC(=O)[N-]/N=C/c1ncnc2nc[nH]c12	NC(=O)[N-]/N=C/c1ncnc2nc[n-]c12	mol15797	NC(=O)N/N=C/c1ncnc2nc[nH]c12