pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.80000019073486	QSARToolbox	1	0	O=C(NCC[NH+](CCNC(=O)c1ccccc1O)CCNC(=O)c1ccccc1O)c1ccccc1O	O=C(NCCN(CCNC(=O)c1ccccc1O)CCNC(=O)c1ccccc1O)c1ccccc1O,O=C(NCC[NH+](CCNC(=O)c1ccccc1O)CCNC(=O)c1ccccc1O)c1ccccc1[O-]	mol38252	O=C(NCCN(CCNC(=O)c1ccccc1O)CCNC(=O)c1ccccc1O)c1ccccc1O