smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC[NH2+][C@@H](c1ccccc1)[P@@](=O)([O-])O ZINC000100706063 563994984 /nfs/dbraw/zinc/99/49/84/563994984.db2.gz JRUCEIRKFMFRKI-QGZVFWFLSA-N -2 2 327.405 4.593 50 30 EJEALL CCCCCCCCCC[NH2+][C@H](c1ccccc1)[P@@](=O)([O-])O ZINC000100706065 563994989 /nfs/dbraw/zinc/99/49/89/563994989.db2.gz JRUCEIRKFMFRKI-KRWDZBQOSA-N -2 2 327.405 4.593 50 30 EJEALL