pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.7799997329712	QSARToolbox	2	1	c1cc2cc(c1)C[NH2+]CCCNCCCNCC[NH2+]CCCNCCCNC2,c1cc2cc(c1)CNCCC[NH2+]CCCNCC[NH2+]CCCNCCCNC2,c1cc2cc(c1)CNCCC[NH2+]CCCNCCNCCC[NH2+]CCCNC2,c1cc2cc(c1)C[NH2+]CCCNCCCNCCNCCC[NH2+]CCCNC2,c1cc2cc(c1)C[NH2+]CCCNCCC[NH2+]CCNCCCNCCCNC2	c1cc2cc(c1)CNCCCNCCC[NH2+]CCNCCCNCCCNC2,c1cc2cc(c1)CNCCC[NH2+]CCCNCCNCCCNCCCNC2,c1cc2cc(c1)C[NH2+]CCCNCCCNCCNCCCNCCCNC2	mol34579	c1cc2cc(c1)CNCCCNCCCNCCNCCCNCCCNC2