smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1ccc2c(o1)c(O)c1occc1c2[N+](=O)[O-] ZINC000064560469 183000752 /nfs/dbraw/zinc/00/07/52/183000752.db2.gz JEAWWKQBMKUUAL-UHFFFAOYSA-N 0 2 247.162 2.153 1 5 BEBFLN O=[N+]([O-])c1c2[nH]nnc2c(Cl)c2ncccc21 ZINC000082157870 187281385 /nfs/dbraw/zinc/28/13/85/187281385.db2.gz KJRCKLWHGWGKKH-UHFFFAOYSA-N 0 2 249.617 2.068 1 5 BEBFLN