smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C[C@@H]([NH2+]Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O)C(=O)[O-] ZINC000040392044 205063164 /nfs/dbraw/zinc/06/31/64/205063164.db2.gz BLBNHNDBZQTJNT-GFCCVEGCSA-N -1 2 385.328 0.891 1 10 GCCFLM