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[nH]n2)n1 ZINC000826308175 607763603 /nfs/dbraw/zinc/76/36/03/607763603.db2.gz NDBHXWLTMXZSHZ-UHFFFAOYSA-N 0 1 328.296 -1.377 20 50 EAGDMN