smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cccc2c3c(cc4c(=O)c5cccc([O-])c5c(=O)c4c3[O-])c([O-])c1-2 ZINC000058581303 205277506 /nfs/dbraw/zinc/27/75/06/205277506.db2.gz SQYXINNIHPQYPE-UHFFFAOYSA-N -3 0 358.305 2.372 1 5 FEBFRL COc1cc(OS(=O)(=O)[O-])c2c(cc([O-])c3c(=O)cc(C)oc32)c1C ZINC000013384042 291051687 /nfs/dbraw/zinc/05/16/87/291051687.db2.gz LZZSHNAMCXXGGT-UHFFFAOYSA-N -2 0 366.347 2.459 1 5 biogenic,in-vitro FEBFRL