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)(C)c1ccc(/C=C(\C#N)C(=O)[O-])cc1 ZINC000007155460 956879496 /nfs/dbraw/zinc/87/94/96/956879496.db2.gz HYSPKQJTUDHGQV-DHZHZOJOSA-N -1 0 229.279 2.976 40 50 BFGBRM