smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=S)C(=Cc2ccccc2S(=O)(=O)[O-])S1 ZINC000095556346 185379688 /nfs/dbraw/zinc/37/96/88/185379688.db2.gz APGMUJIYCDRJFI-ALCCZGGFSA-N -2 1 301.370 2.058 1 10 DECFML