smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C(=O)C=C(O)c1ccc2c(ccc3cc(Cl)ccc32)c1 ZINC000096937904 218902989 /nfs/dbraw/zinc/90/29/89/218902989.db2.gz HVPXIFZVUFQJGC-UHFFFAOYSA-N -1 2 326.735 3.873 1 5 EHBFLM