smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NN=c1nc[n-]c(NN)c1[N+](=O)[O-] 4791958 169239566 /nfs/dbraw/zinc/23/95/66/169239566.db2.gz VCEOYUUKNWGAOT-UHFFFAOYSA-N -1 3 185.147 -1.044 50 5 AABAHM