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-])c1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 ZINC000003684113 181044836 /nfs/dbraw/zinc/04/48/36/181044836.db2.gz DQMLXAJMYIWCKH-JKIFEVAISA-N -1 2 309.340 4.350 50 10 DICALM