smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)Cc1cc(S(=O)(=O)c2coc(S(N)(=O)=O)c2)ccc1O ZINC000013727947 211053509 /nfs/dbraw/zinc/05/35/09/211053509.db2.gz GZHYGBSJJZPBHI-UHFFFAOYSA-N 1 2 360.413 0.527 1 10 FCCFLO