pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.64	Baltruschat ChEMBL	1	0	O=[N+]([O-])c1c(NC2CC2)nc(C2CC2)[nH+]c1N1CCCCCC1,O=[N+]([O-])c1c([NH2+]C2CC2)nc(C2CC2)nc1N1CCCCCC1,O=[N+]([O-])c1c(N2CCCCCC2)nc(C2CC2)[nH+]c1NC1CC1,O=[N+]([O-])c1c(NC2CC2)nc(C2CC2)nc1[NH+]1CCCCCC1	O=[N+]([O-])c1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1	mol19536	O=[N+]([O-])c1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1