smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccccc1-c1ccc2c(ccc3ccccc32)n1 ZINC000001507330 567837567 /nfs/dbraw/zinc/83/75/67/567837567.db2.gz DFMSRJPPKPNZHN-UHFFFAOYSA-N -1 3 271.319 4.761 40 5 CJBBHM O=[N+]([O-])c1ccc(Sc2ccc([O-])c3ccccc23)cc1 ZINC000016525409 570356058 /nfs/dbraw/zinc/35/60/58/570356058.db2.gz DXLLXPBCTSEYNF-UHFFFAOYSA-N -1 3 297.335 4.605 40 5 CJBBHM