pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	Baltruschat ChEMBL	1	0	O=C(c1ccc2cc(OCCC[NH+]3CCCCC3)ccc2c1)N1CCC(CO)CC1	O=C(c1ccc2cc(OCCCN3CCCCC3)ccc2c1)N1CCC(CO)CC1	mol17613	O=C(c1ccc2cc(OCCCN3CCCCC3)ccc2c1)N1CCC(CO)CC1