smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [S-]c1c2ccccc2c(S)c2ccccc12 ZINC000000384011 383861438 /nfs/dbraw/zinc/86/14/38/383861438.db2.gz QHWTVIYSEHVEKU-UHFFFAOYSA-N -1 1 242.368 4.570 50 5 BJBAMM