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(=O)[O-])/C=C\C=C(/C)c1ccc2cc3ccccc3cc2c1 ZINC000169345317 206551972 /nfs/dbraw/zinc/55/19/72/206551972.db2.gz XKOYCXDIIVBPJJ-NHTYRRRBSA-N -1 0 328.411 5.983 1 5 EKBFRM