pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.81999969482422	QSARToolbox	1	0	CCCNCc1ccc2ccc3ccc(CNCCC)[nH+]c3c2n1,CCCNCc1ccc2ccc3ccc(C[NH2+]CCC)nc3c2n1	CCCNCc1ccc2ccc3ccc(CNCCC)nc3c2n1	mol35445	CCCNCc1ccc2ccc3ccc(CNCCC)nc3c2n1