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=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OCC)c1OCC(=O)[O-] ZINC000033411593 519126311 /nfs/dbraw/zinc/12/63/11/519126311.db2.gz OAOWOJLWEZHCCY-NDENLUEZSA-N -1 2 478.501 4.401 10 30 JIEELM