smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NNc1cc[nH+]cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826449356 609172849 /nfs/dbraw/zinc/17/28/49/609172849.db2.gz OIPMARBKELKOMG-UHFFFAOYSA-N 0 3 282.267 -0.165 20 50 CBGDHN