smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cccc2oc3cc([O-])ccc3c([O-])c1-2 ZINC000015118979 384720871 /nfs/dbraw/zinc/72/08/71/384720871.db2.gz IUSXGFFUHTXSRD-UHFFFAOYSA-N -2 0 228.203 2.357 10 5 biogenic,in-vitro BEBERL O=c1c2cccc(O)c2oc2cccc(O)c21 ZINC000015118974 343262974 /nfs/dbraw/zinc/26/29/74/343262974.db2.gz APIPFXZYOMIJQG-UHFFFAOYSA-N -2 0 228.203 2.357 10 5 endogenous,in-man BEBERL O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1[S-] ZINC000226902206 371755539 /nfs/dbraw/zinc/75/55/39/371755539.db2.gz DNXUPCMGHAFRFC-UHFFFAOYSA-N -2 0 233.632 2.235 10 5 BEBERL