smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C=Cc2nc3[nH]cnn3c(=O)c2[N+](=O)[O-])cc1Br ZINC000100134360 208372204 /nfs/dbraw/zinc/37/22/04/208372204.db2.gz BKUUNIFPQJRMFV-DUXPYHPUSA-N 0 2 392.169 2.267 10 5 GEBELN