smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])N[n+]1ccccc1C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21 ZINC000026733376 204848639 /nfs/dbraw/zinc/84/86/39/204848639.db2.gz WPSXQFOKOXTBAW-UHFFFAOYSA-N 1 2 379.299 2.119 1 5 GEBFLO O=C(O)c1c2oc3ccccc3n2c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O ZINC000102215428 136189936 /nfs/dbraw/zinc/18/99/36/136189936.db2.gz BVMNBCFZDUSZQL-UHFFFAOYSA-N 1 2 381.363 2.446 1 5 GEBFLO