smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2ccc([O-])cc2oc2cc([O-])ccc21 ZINC000003894834 342739088 /nfs/dbraw/zinc/73/90/88/342739088.db2.gz POARTHFLPKAZBQ-UHFFFAOYSA-N -2 3 228.203 2.357 50 5 biogenic BEBAHL O=c1oc2cc([O-])cc([O-])c2c2ccccc12 ZINC000005731721 187249129 /nfs/dbraw/zinc/24/91/29/187249129.db2.gz VLXAGAKGJMXVQF-UHFFFAOYSA-N -2 3 228.203 2.357 50 5 biogenic BEBAHL O=c1oc2cc([O-])ccc2c2cc([O-])ccc12 ZINC000038674378 358184458 /nfs/dbraw/zinc/18/44/58/358184458.db2.gz WDGSXHQNUPZEHA-UHFFFAOYSA-N -2 3 228.203 2.357 50 5 BEBAHL O=c1oc2cc([O-])ccc2c2ccc([O-])cc12 ZINC000013484727 384361602 /nfs/dbraw/zinc/36/16/02/384361602.db2.gz RIUPLDUFZCXCHM-UHFFFAOYSA-N -2 3 228.203 2.357 50 5 endogenous,in-man BEBAHL