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([N+](=O)[O-])c([N-]c2ccc(I)cc2)c2nonc21 ZINC000020478658 527340237 /nfs/dbraw/zinc/34/02/37/527340237.db2.gz CMSOFSJIPINYMD-UHFFFAOYSA-N -1 1 427.114 3.387 10 5 IGBEMM