pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.8	Baltruschat ChEMBL	0	-1	O=c1c2cc(O)ccc2nc2n1CCc1c-2n(CCCN2CCCCC2)c2ccccc12,O=c1c2cc([O-])ccc2nc2n1CCc1c-2n(CCC[NH+]2CCCCC2)c2ccccc12	O=c1c2cc([O-])ccc2nc2n1CCc1c-2n(CCCN2CCCCC2)c2ccccc12	mol21679	O=c1c2cc(O)ccc2nc2n1CCc1c-2n(CCCN2CCCCC2)c2ccccc12