smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(CC(F)F)CN(C(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2[O-])C1 ZINC001299869845 1065086990 /nfs/dbraw/zinc/08/69/90/1065086990.db2.gz ROPVIIKBMQQQCM-UHFFFAOYSA-N -2 0 455.439 3.219 20 5 JGBDRL