smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccnc1C(=O)NNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826308175 607763602 /nfs/dbraw/zinc/76/36/02/607763602.db2.gz NDBHXWLTMXZSHZ-UHFFFAOYSA-N -1 1 328.296 -1.377 20 50 EAGDMM