pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	Baltruschat ChEMBL	-1	-2	O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc([O-])c(OCCCN3CCCC3)cc2n1CCO	O=C1[N-]C(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)c(OCCCN3CCCC3)cc2n1CC[O-],O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc([O-])c(OCCCN3CCCC3)cc2n1CC[O-],O=C1[N-]C(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc([O-])c(OCCCN3CCCC3)cc2n1CCO	mol19126	O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)c(OCCCN3CCCC3)cc2n1CCO