smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000584598899 337370650 /nfs/dbraw/zinc/37/06/50/337370650.db2.gz NICUYWDXRIEXCX-WEVVVXLNSA-N -2 0 310.349 4.110 10 30 DIEERL