smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c(C/C=C/c2ccccc2)c(O)cc2oc(-c3ccccc3)cc(O)c1-2 ZINC000015113548 210180978 /nfs/dbraw/zinc/18/09/78/210180978.db2.gz BAHFSEZASCPWAI-JXMROGBWSA-N -2 2 370.404 5.127 1 0 FKAFLL