pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.69999980926514	QSARToolbox	5	4	C1=Cc2nc1c(-c1ccc(OCCC[n+]3ccccc3)cc1)c1ccc([nH]1)c(-c1ccc(OCCC[n+]3ccccc3)cc1)c1[nH+]c(c(-c3ccc(OCCC[n+]4ccccc4)cc3)c3ccc([nH]3)c2-c2ccc(OCCC[n+]3ccccc3)cc2)C=C1	C1=Cc2nc1c(-c1ccc(OCCC[n+]3ccccc3)cc1)c1ccc([nH]1)c(-c1ccc(OCCC[n+]3ccccc3)cc1)c1nc(c(-c3ccc(OCCC[n+]4ccccc4)cc3)c3ccc([nH]3)c2-c2ccc(OCCC[n+]3ccccc3)cc2)C=C1	mol36820	C1=Cc2nc1c(-c1ccc(OCCC[n+]3ccccc3)cc1)c1ccc([nH]1)c(-c1ccc(OCCC[n+]3ccccc3)cc1)c1nc(c(-c3ccc(OCCC[n+]4ccccc4)cc3)c3ccc([nH]3)c2-c2ccc(OCCC[n+]3ccccc3)cc2)C=C1