pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	OCHEM	0	-1	C=CC[NH+](C)CCCNC(=O)C=N[O-],C=CCN(C)CCCNC(=O)C=NO	C=CCN(C)CCC[N-]C(=O)C=NO,C=CCN(C)CCCNC(=O)C=N[O-]	mol32476	C=CCN(C)CCCNC(=O)C=NO
8.4799995	OCHEM	1	0	C=CC[NH+](C)CCCNC(=O)C=NO	C=CC[NH+](C)CCCNC(=O)C=N[O-],C=CCN(C)CCCNC(=O)C=NO	mol32476	C=CCN(C)CCCNC(=O)C=NO
8.47999954223633	QSARToolbox	1	0	C=CC[NH+](C)CCCNC(=O)C=NO	C=CC[NH+](C)CCCNC(=O)C=N[O-],C=CCN(C)CCCNC(=O)C=NO	mol32476	C=CCN(C)CCCNC(=O)C=NO