smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc2[nH]c(C(=O)[O-])cc2c[nH+]1 238622317 169308640 /nfs/dbraw/zinc/30/86/40/169308640.db2.gz VQEXTRJQBACQQL-UHFFFAOYSA-N -2 2 178.151 0.238 50 0 ACAALL O=C([O-])c1cn2cccc(O)c2[nH+]1 36222598 169359871 /nfs/dbraw/zinc/35/98/71/169359871.db2.gz DKBGVMMVMVMZNL-UHFFFAOYSA-N -2 2 178.147 0.738 50 0 ACAALL