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@@H]2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001307161093 1066005212 /nfs/dbraw/zinc/00/52/12/1066005212.db2.gz POYMQRYZYKFZPW-AAEUAGOBSA-N -2 3 458.368 2.884 20 5 JFBDHL