smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1cccc(Cl)c1[O-])C1CC1 ZINC000160391974 387085522 /nfs/dbraw/zinc/08/55/22/387085522.db2.gz DDRZDHMZLCCHIT-UHFFFAOYSA-N -2 1 247.703 1.950 20 70 BDIDML