smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2c(cc1N)nc1cc(N)c(C)cc1c2-c1ccccc1 ZINC000004707853 181140138 /nfs/dbraw/zinc/14/01/38/181140138.db2.gz AFYNWNWCDBFAJL-UHFFFAOYSA-N 0 3 313.404 4.836 40 5 DJBBHN