smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC[N-]C(=S)SCCC(=O)[O-] ZINC000104358898 219378686 /nfs/dbraw/zinc/37/86/86/219378686.db2.gz JZGXHXBFKQVVSM-UHFFFAOYSA-N -2 1 333.563 4.990 40 30 EJEBML