smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2c(c1)[nH]c1c2c[nH+]c2ccccc12 ZINC000014517285 183455867 /nfs/dbraw/zinc/45/58/67/183455867.db2.gz LQRUVABVXQZQMV-UHFFFAOYSA-N 1 2 218.259 3.869 40 5 BHBBLO