smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[N-]C(=S)SCCC(=O)[O-] ZINC000005782100 346630374 /nfs/dbraw/zinc/63/03/74/346630374.db2.gz GSZYEBYJVHALQM-UHFFFAOYSA-N -2 1 221.347 2.280 40 30 BEEBML