smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)C(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000735589555 944676655 /nfs/dbraw/zinc/67/66/55/944676655.db2.gz MHCLXPVMUHTZCI-UHFFFAOYSA-N -1 0 369.363 0.131 50 50 FCGARM