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 ZINC000100132832 178199688 /nfs/dbraw/zinc/19/96/88/178199688.db2.gz LABKTXRFMJIJAU-OUKQBFOZSA-N -2 0 235.268 3.278 50 10 BGCARL