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-])c1cc(S(=O)(=O)[N-]c2ccccc2SC2CCCC2)ccc1[O-] ZINC000032094458 820896325 /nfs/dbraw/zinc/89/63/25/820896325.db2.gz QZZDXVRAAZRGFO-UHFFFAOYSA-N -2 1 394.474 4.136 20 5 GIBDML Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000032798304 821009271 /nfs/dbraw/zinc/00/92/71/821009271.db2.gz RAVIRQBOYPLGBO-UHFFFAOYSA-N -2 1 399.428 4.153 20 5 GIBDML