smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)C(=Cc2cccc(C=C3C(=O)[N-]C(=O)NC3=O)c2)C(=O)N1 ZINC000003844920 483408847 /nfs/dbraw/zinc/40/88/47/483408847.db2.gz HJQMLZUVYVHJQL-UHFFFAOYSA-N -2 3 354.278 -0.815 50 10 FBCAHL