smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=CC([O-])=CC(=O)C1=N[N-]c1nccs1 ZINC000100132830 178199936 /nfs/dbraw/zinc/19/99/36/178199936.db2.gz LABKTXRFMJIJAU-SEYXRHQNSA-N -2 0 235.268 3.278 10 10 BGCERL