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([O-])C=Cc1sc2ccccc2c1[O-] ZINC000228967665 527548905 /nfs/dbraw/zinc/54/89/05/527548905.db2.gz LHMCWMULWOEACG-AATRIKPKSA-N -2 0 220.249 2.705 40 10 BFCBRL