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)=CCC/C(C)=C/CC/C(C)=C/C/C(C(=O)[O-])=C(\C)C(=O)O ZINC000038494018 213211688 /nfs/dbraw/zinc/21/16/88/213211688.db2.gz WYCNRYCNFKZZEF-PYBNABTASA-N -1 2 334.456 5.281 1 0 EKAFLM