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(CN(Cc2cccc([N+](=O)[O-])c2O)c2ccccc2)c1[O-] ZINC000001679796 212254472 /nfs/dbraw/zinc/25/44/72/212254472.db2.gz MNFRIACHQSGILH-UHFFFAOYSA-N -1 2 395.371 4.121 40 10 GICBLM