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-])c1sc2c(cc(O)c(O)c2[N+](=O)[O-])c1Cl ZINC000034845173 581096372 /nfs/dbraw/zinc/09/63/72/581096372.db2.gz DVSCTGTUHNALAU-UHFFFAOYSA-N -1 2 289.652 2.572 10 10 CFCELM