smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)c4cc([N+](=O)[O-])cc5cc([N+](=O)[O-])cc(c54)C3=O)cc2)cc1C ZINC000101141461 554653481 /nfs/dbraw/zinc/65/34/81/554653481.db2.gz IARARHJPMNDYBK-UHFFFAOYSA-N -1 1 546.517 4.874 10 5 KJBEMM