smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c[n+](C)c3ccc([O-])cc3c2c1 ZINC000095581936 175223582 /nfs/dbraw/zinc/22/35/82/175223582.db2.gz KDNOFKYTJTZHSG-UHFFFAOYSA-O 0 1 240.282 2.532 1 5 BFBFMN COc1ccc2c(c1)c[n+](C)c1ccc([O-])cc21 ZINC000095581604 175219074 /nfs/dbraw/zinc/21/90/74/175219074.db2.gz MTVNNCYGHXELTM-UHFFFAOYSA-O 0 1 240.282 2.532 1 5 BFBFMN