smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC/C(C(=O)O)=C(\C)C(=O)[O-] ZINC000085659643 179110616 /nfs/dbraw/zinc/11/06/16/179110616.db2.gz MYNSYTXSSRGRRO-PFONDFGASA-N -1 2 298.423 4.783 1 30 CJEFLM