smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=Cc1ccc2cc3ccccc3cc2c1[O-] ZINC000039651466 350344826 /nfs/dbraw/zinc/34/48/26/350344826.db2.gz FHOKZPOKSFRTJX-UHFFFAOYSA-N -1 1 222.243 3.511 40 5 BHBBMM