smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1[O-] ZINC000408983007 570091300 /nfs/dbraw/zinc/09/13/00/570091300.db2.gz JOTULGFXHQKQFE-NVNXTCNLSA-N -2 1 475.726 4.511 40 30 JJEBML