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-])c1ccc(N=Cc2nc(-c3ccco3)oc2[O-])cc1 ZINC000006097007 170176023 /nfs/dbraw/zinc/17/60/23/170176023.db2.gz UXNQAVINNBPMOZ-LZYBPNLTSA-N -2 1 298.254 3.089 1 30 CGEFML COc1ccc(/C=C/C(=O)c2ccc([O-])cc2)c(O)c1 ZINC000213818556 560044160 /nfs/dbraw/zinc/04/41/60/560044160.db2.gz LOUBKMCKRZABQN-WEVVVXLNSA-N -2 1 270.284 3.003 1 30 biogenic CGEFML