smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])n1cc([N+](=O)[O-])cn1 39090790 169141484 /nfs/dbraw/zinc/14/14/84/169141484.db2.gz GWMAVQBKDIWTPH-UHFFFAOYSA-N 1 1 155.117 -0.467 40 5 ABBBMO O=[N+]([O-])C1C[NH2+]C1 167397272 1169285496 /nfs/dbraw/zinc/28/54/96/1169285496.db2.gz HUDBUXGVPZKSKH-UHFFFAOYSA-N 1 1 102.093 -0.765 40 5 ABBBMO