smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1nc2nc(NN=Cc3ccccc3F)[n-]nc-2c(=O)[nH]1 ZINC000031939386 527442043 /nfs/dbraw/zinc/44/20/43/527442043.db2.gz MLZCDXJBOWOIFN-RZNTYIFUSA-N -1 2 301.241 0.399 40 30 DCEBLM C=C1C(=O)C(=O)C(C2=C(O)C(=O)C(=C)C(O)C2=O)=C([O-])C1O ZINC000084559543 192441359 /nfs/dbraw/zinc/44/13/59/192441359.db2.gz DHMPJEGFPQTNFX-UHFFFAOYSA-N -1 2 306.226 0.578 40 30 in-vitro DCEBLM