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-])c1cccc([C@@H](NCc2ccccc2)P(=O)([O-])[O-])c1 ZINC000065090420 184310321 /nfs/dbraw/zinc/31/03/21/184310321.db2.gz OVSHTRIRRLHWHS-AWEZNQCLSA-N -2 3 322.257 2.561 40 5 DFBBHL COc1cc(-c2nc3ccccc3c(=O)[n-]2)cc([N+](=O)[O-])c1[O-] ZINC000575410884 430083755 /nfs/dbraw/zinc/08/37/55/430083755.db2.gz IZJORTXSCZVFQX-UHFFFAOYSA-N -2 3 313.269 2.625 40 5 DFBBHL O=[N+]([O-])c1cccc([C@H](NCc2ccccc2)P(=O)([O-])[O-])c1 ZINC000065090419 184310177 /nfs/dbraw/zinc/31/01/77/184310177.db2.gz OVSHTRIRRLHWHS-CQSZACIVSA-N -2 3 322.257 2.561 40 5 DFBBHL Cc1nc([N-]c2ccccn2)c([N+](=O)[O-])c([N-]c2ccccn2)n1 ZINC000005390720 181238159 /nfs/dbraw/zinc/23/81/59/181238159.db2.gz ODGJGVVEUCLBCM-UHFFFAOYSA-N -2 3 323.316 2.970 40 5 DFBBHL O=c1c(Oc2ccc([N+](=O)[O-])cc2)coc2cc([O-])cc([O-])c12 ZINC000011865789 425714805 /nfs/dbraw/zinc/71/48/05/425714805.db2.gz GUJUJIHIYJHVQC-UHFFFAOYSA-N -2 3 315.237 2.905 40 5 DFBBHL