smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1O ZINC001447077895 1182183806 /nfs/dbraw/zinc/18/38/06/1182183806.db2.gz IHKLFSLOJIAEIX-UHFFFAOYSA-N -2 2 322.704 3.220 20 5 DGBDLL