smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(C=O)=C\c1cc(Cl)cc(C)c1O ZINC000216763600 187370216 /nfs/dbraw/zinc/37/02/16/187370216.db2.gz JKGGOAORQGGOGQ-XVNBXDOJSA-N 0 0 210.660 2.956 40 50 BFGBRN