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-])c1ccccc1[N-]c1nc([O-])cs1 ZINC000018217729 371067409 /nfs/dbraw/zinc/06/74/09/371067409.db2.gz CXBTVODIJNACMY-UHFFFAOYSA-N -2 3 237.240 1.636 50 5 BDBAHL O=[N+]([O-])c1ccc(CP(=O)([O-])[O-])cc1 ZINC000002170203 363496555 /nfs/dbraw/zinc/49/65/55/363496555.db2.gz FZNXRFYRXBFQMX-UHFFFAOYSA-N -2 3 217.117 1.273 50 5 BDBAHL