smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2ccccc2C(O)=C2C(=O)c3ccccc3C([O-])=C12 ZINC000100487787 364546707 /nfs/dbraw/zinc/54/67/07/364546707.db2.gz QLQNVANYCBGLKC-UHFFFAOYSA-N -1 2 290.274 2.377 40 10 CECBLM