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([O-])c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000000225710 180731652 /nfs/dbraw/zinc/73/16/52/180731652.db2.gz HWYBBUGBCMCFAO-UHFFFAOYSA-N -2 0 315.237 2.222 1 5 DEBFRL O=C([O-])Cc1cc(CC(=O)[O-])c2oc3ccccc3c(=O)c2c1 ZINC000027876502 182495152 /nfs/dbraw/zinc/49/51/52/182495152.db2.gz ALPJEFVLLBCYBZ-UHFFFAOYSA-N -2 0 312.277 2.200 1 5 DEBFRL