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-]c1ccc(Cl)cc1[O-])C1CC1 ZINC000160402965 388064165 /nfs/dbraw/zinc/06/41/65/388064165.db2.gz XLTMQHOBHLDHFN-UHFFFAOYSA-N -2 3 247.703 1.950 20 70 BDIDHL