smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)S[C@H]([C@@H](NC(=O)[C@@H](N)c2ccc(O)cc2)C(=O)[O-])N[C@H]1C(=O)[O-] ZINC000077271563 205357223 /nfs/dbraw/zinc/35/72/23/205357223.db2.gz LHHKJQFIKHAUIA-SRRSOLGSSA-N -2 1 383.426 -0.144 10 0 in-vitro GBAEML