smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)oc2cc([O-])cc([O-])c12 ZINC000040828947 213391852 /nfs/dbraw/zinc/39/18/52/213391852.db2.gz DQGPISIJWYQAJW-UHFFFAOYSA-N -2 0 344.235 2.688 1 5 EFBFRL CCON=c1[n-]c2oc3ccc(C(C)C)cc3c(=O)c2cc1C(=O)[O-] ZINC000027638706 202158994 /nfs/dbraw/zinc/15/89/94/202158994.db2.gz MJGVHYQWBPYPBI-UHFFFAOYSA-N -2 0 342.351 2.948 1 5 EFBFRL CCCc1c2nc(C(=O)[O-])cc(C)c2cc2c(=O)cc(C(=O)[O-])oc21 ZINC000029242091 202182887 /nfs/dbraw/zinc/18/28/87/202182887.db2.gz WPTMVTJRZIAFPX-UHFFFAOYSA-N -2 0 341.319 2.999 1 5 EFBFRL