smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[C@]1(N)Cc2c(O)c3c(c([O-])c2[C@@H](O[C@H]2C[C@@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O ZINC000035636346 569705732 /nfs/dbraw/zinc/70/57/32/569705732.db2.gz VJZITPJGSQKZMX-JKTZVLKLSA-N -1 3 483.473 0.632 10 10 in-vitro JCCEHM