smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)[O-])cc1NCc1ccc([O-])c(Cl)c1 ZINC000043479273 175055468 /nfs/dbraw/zinc/05/54/68/175055468.db2.gz HWYHTSQMBIBKJV-UHFFFAOYSA-N -2 1 291.734 3.664 10 0 CHAEML O=C([O-])c1ccc(F)c(-c2ccc(Cl)c([O-])c2)c1 ZINC000065343445 175712981 /nfs/dbraw/zinc/71/29/81/175712981.db2.gz YTHYXYQNMNKQDR-UHFFFAOYSA-N -2 1 266.655 3.550 10 0 CHAEML