smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NNc1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000004293993 372197469 /nfs/dbraw/zinc/19/74/69/372197469.db2.gz COOOGXSSGFKCGW-UHFFFAOYSA-N 0 1 236.256 2.004 30 5 BEBCMN