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(C(=O)c1cccc(O)c1)c1cccc(O)c1 ZINC000039410336 384113538 /nfs/dbraw/zinc/11/35/38/384113538.db2.gz NRVBEDFRJZDULS-UHFFFAOYSA-N -2 0 242.230 2.163 10 10 BECERL O=C1C=CC(=NN=c2[n-]ncs2)C([O-])=C1 ZINC000584609686 358271226 /nfs/dbraw/zinc/27/12/26/358271226.db2.gz OJLGJWLOAZPPQV-ZRDIBKRKSA-N -2 0 222.229 2.365 10 10 BECERL O=c1c2ccc(O)c(O)c2oc2cccc(O)c21 ZINC000006525318 560206160 /nfs/dbraw/zinc/20/61/60/560206160.db2.gz QVQLOWQNIFSVLU-UHFFFAOYSA-N -2 0 244.202 2.063 10 10 biogenic,in-vitro BECERL