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([O-])c1c(Cl)cc(Br)c(Br)c1F ZINC000036532831 213099041 /nfs/dbraw/zinc/09/90/41/213099041.db2.gz QURNCQBTZOBERF-UHFFFAOYSA-N -1 0 332.350 3.702 30 0 EHACRM O=C([O-])c1ccc(/C=C/S(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000034007613 564176436 /nfs/dbraw/zinc/17/64/36/564176436.db2.gz KBEKQQJUNVQLDZ-MDZDMXLPSA-N -1 0 336.796 3.624 30 0 in-man EHACRM O=C([O-])c1c(F)c(Br)cc(Br)c1Cl ZINC000036532809 213099903 /nfs/dbraw/zinc/09/99/03/213099903.db2.gz JOMGBIREKKYKBL-UHFFFAOYSA-N -1 0 332.350 3.702 30 0 EHACRM