smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2nc([N-]C(=O)c3ccc([N+](=O)[O-])s3)n[nH]2)o1 ZINC000160258136 425977748 /nfs/dbraw/zinc/97/77/48/425977748.db2.gz TTWIMCFHTMISLQ-UHFFFAOYSA-N -2 0 319.302 2.595 20 70 DFIDRL