smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2c[n-]oc2=O)cc1 28382608 168242183 /nfs/dbraw/zinc/24/21/83/168242183.db2.gz HAPCSJBUGIVDFA-UHFFFAOYSA-N -1 3 191.186 2.056 1 0 AEAFHM O=c1c(Cl)cccc(Cl)c1[O-] 38350622 171069544 /nfs/dbraw/zinc/06/95/44/171069544.db2.gz XLBHEAVQEWJZAG-UHFFFAOYSA-N -1 3 191.013 2.059 1 0 AEAFHM