smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H]1CCC[NH2+][C@@H]1c1ccccc1 33961547 169251887 /nfs/dbraw/zinc/25/18/87/169251887.db2.gz GFMAFYNUQDLPBP-GHMZBOCLSA-N 2 2 176.263 1.438 30 0 ADACLP