pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.0	QSARToolbox	5	4	C1=Cc2nc1c(CCCCCCC[n+]1ccccc1)c1ccc([nH]1)c(CCCCCCC[n+]1ccccc1)c1[nH+]c(c(CCCCCCC[n+]3ccccc3)c3ccc([nH]3)c2CCCCCCC[n+]2ccccc2)C=C1	C1=Cc2nc1c(CCCCCCC[n+]1ccccc1)c1ccc([nH]1)c(CCCCCCC[n+]1ccccc1)c1nc(c(CCCCCCC[n+]3ccccc3)c3ccc([nH]3)c2CCCCCCC[n+]2ccccc2)C=C1	mol36992	C1=Cc2nc1c(CCCCCCC[n+]1ccccc1)c1ccc([nH]1)c(CCCCCCC[n+]1ccccc1)c1nc(c(CCCCCCC[n+]3ccccc3)c3ccc([nH]3)c2CCCCCCC[n+]2ccccc2)C=C1