smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)c([O-])c(Cl)c2)[nH]1 ZINC000005041550 210371966 /nfs/dbraw/zinc/37/19/66/210371966.db2.gz ZISUEZROSWGJMD-OWOJBTEDSA-N -1 2 344.110 2.567 50 5 EFBALM O=C([O-])c1ccc(NC(=O)OCc2ccccc2)c(O)c1[N+](=O)[O-] ZINC000670432139 547488150 /nfs/dbraw/zinc/48/81/50/547488150.db2.gz XQTNBHXQUVQXIQ-UHFFFAOYSA-N -1 2 332.268 2.747 50 5 EFBALM O=c1[nH]c(C=Cc2cc(Cl)c(O)c(Cl)c2)nc([O-])c1[N+](=O)[O-] ZINC000009065596 471709561 /nfs/dbraw/zinc/70/95/61/471709561.db2.gz WEFRBGPFQWCEPE-OWOJBTEDSA-N -1 2 344.110 2.567 50 5 EFBALM