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](CC(=O)c1cccc2oc3cc(=O)c4nc(C(=O)[O-])cc(=O)c-4c-3[nH]c21)C(=O)[O-] ZINC000008576231 291199482 /nfs/dbraw/zinc/19/94/82/291199482.db2.gz QLAHWTNCEYYDRR-QMMMGPOBSA-N -1 1 423.337 1.230 10 5 biogenic,in-vitro HDBEMM