pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.1199998855591	QSARToolbox	0	-1	O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1	O=[N+]([O-])/N=C1\[N-]CCN1Cc1ccc(Cl)nc1	mol17601	O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1
0.0	Baltruschat ChEMBL	2	1	O=[N+]([O-])/[NH+]=C1\NCCN1Cc1ccc(Cl)[nH+]c1	O=[N+]([O-])/[NH+]=C1\NCCN1Cc1ccc(Cl)nc1	mol17601	O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1