smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2c(c1)ccc1[s+]cccc12 ZINC000005105341 169479794 /nfs/dbraw/zinc/47/97/94/169479794.db2.gz ICQBZLAHYKKBLM-UHFFFAOYSA-N 1 0 197.282 4.336 40 5 AIBBRO c1ccc2c(c1)c[s+]c1ccccc12 ZINC000005181099 351340739 /nfs/dbraw/zinc/34/07/39/351340739.db2.gz NXXIJZUCZCUYFS-UHFFFAOYSA-N 1 0 197.282 4.336 40 5 AIBBRO