smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(N)=N[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000013808150 170596534 /nfs/dbraw/zinc/59/65/34/170596534.db2.gz MWTFWHVHIYVOGN-UHFFFAOYSA-N -1 3 293.692 -0.075 1 5 CBBFHM