smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccccc1[O-])c1ccc(-c2ccc(Cl)cc2)s1 ZINC000022024228 212270959 /nfs/dbraw/zinc/27/09/59/212270959.db2.gz MBIAKIADAVDOPC-UHFFFAOYSA-N -1 3 329.808 5.026 20 0 EKADHM