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(N[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CCCC1 ZINC000738134241 945216241 /nfs/dbraw/zinc/21/62/41/945216241.db2.gz HQKMLTLDFLGNOU-UHFFFAOYSA-N -1 0 381.374 0.275 50 50 GCGARM