smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccc(-c2csc([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)n2)c1 ZINC000013776373 563005875 /nfs/dbraw/zinc/00/58/75/563005875.db2.gz SIXKRNBZGWCFKP-UHFFFAOYSA-N -1 0 430.294 4.826 20 10 IJCDRM