smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C[C@@H](c1cnn(C)c1)C1=C([O-])C(=O)C([C@H](CC(=O)OC)c2cnn(C)c2)C(=O)C1=O ZINC000217963480 569882306 /nfs/dbraw/zinc/88/23/06/569882306.db2.gz QAVLKWWZSSHTTE-OKILXGFUSA-N -1 2 472.454 0.923 50 30 biogenic JCEALM COC(=O)C[C@H](c1cnn(C)c1)C1=C([O-])C(=O)C([C@@H](CC(=O)OC)c2cnn(C)c2)C(=O)C1=O ZINC000217963480 569882305 /nfs/dbraw/zinc/88/23/05/569882305.db2.gz QAVLKWWZSSHTTE-OKILXGFUSA-N -1 2 472.454 0.923 50 30 biogenic JCEALM