smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCC[C@@H](NC(=O)c1cccc(O)c1[O-])C(=O)N[C@@H](CO)C(=O)[O-] ZINC000006091714 560205179 /nfs/dbraw/zinc/20/51/79/560205179.db2.gz NNTXFOAPABMVEG-MNOVXSKESA-N -1 3 369.374 -1.113 10 10 in-vitro FACEHM