smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1C(=O)C(=Cc2cc(C)n(-c3cccc(C(=O)[O-])c3C)c2C)C(=O)[N-]C1=S ZINC000033424003 518831890 /nfs/dbraw/zinc/83/18/90/518831890.db2.gz DEQFMGFATMIMGI-BOPFTXTBSA-N -2 1 423.494 3.754 10 30 HHEEML