pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.36	Baltruschat ChEMBL	1	0	O=c1c2cc(OCCC[NH+]3CCCCC3)ccc2nc2n1CCc1c-2[nH]c2ccccc12,O=c1c2cc(OCCCN3CCCCC3)ccc2[nH+]c2n1CCc1c-2[nH]c2ccccc12	O=c1c2cc(OCCCN3CCCCC3)ccc2nc2n1CCc1c-2[nH]c2ccccc12	mol21681	O=c1c2cc(OCCCN3CCCCC3)ccc2nc2n1CCc1c-2[nH]c2ccccc12