pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.77999997138977	QSARToolbox	4	3	c1ccc(C[NH2+]CCSCC[NH2+]Cc2cccc[nH+]2)[nH+]c1	c1ccc(CNCCSCC[NH2+]Cc2cccc[nH+]2)[nH+]c1,c1ccc(C[NH2+]CCSCC[NH2+]Cc2cccc[nH+]2)nc1	mol34533	c1ccc(CNCCSCCNCc2ccccn2)nc1