pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	OCHEM	0	-1	C[NH+](C)CCCCCCCCNC(=O)C=N[O-],CN(C)CCCCCCCCNC(=O)C=NO	CN(C)CCCCCCCC[N-]C(=O)C=NO,CN(C)CCCCCCCCNC(=O)C=N[O-]	mol32319	CN(C)CCCCCCCCNC(=O)C=NO
8.9700003	OCHEM	1	0	C[NH+](C)CCCCCCCCNC(=O)C=NO	C[NH+](C)CCCCCCCCNC(=O)C=N[O-],CN(C)CCCCCCCCNC(=O)C=NO	mol32319	CN(C)CCCCCCCCNC(=O)C=NO
8.97000026702881	QSARToolbox	1	0	C[NH+](C)CCCCCCCCNC(=O)C=NO	C[NH+](C)CCCCCCCCNC(=O)C=N[O-],CN(C)CCCCCCCCNC(=O)C=NO	mol32319	CN(C)CCCCCCCCNC(=O)C=NO