smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(/C=N/c2ccccc2S)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000059303497 570654980 /nfs/dbraw/zinc/65/49/80/570654980.db2.gz KJFMEQUCTKFMKU-SSDVNMTOSA-N -2 2 394.452 4.530 40 30 GJEBLL