smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([C@H](O)Cn1ccnc1[N+](=O)[O-])[NH+]1CC1 ZINC000027186837 176012051 /nfs/dbraw/zinc/01/20/51/176012051.db2.gz MBFSEKWTSIQCCD-JGVFFNPUSA-N 1 2 226.236 -0.144 1 5 BBBFLO