smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1nc2c([n-]1)c1ccccc1c1ccccc21 ZINC000073222066 563170607 /nfs/dbraw/zinc/17/06/07/563170607.db2.gz LEZQBKGECDFMOL-IPMKNSEASA-N -1 1 444.447 2.027 1 5 IEBFMM