smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000216906784 488441905 /nfs/dbraw/zinc/44/19/05/488441905.db2.gz MKWMUAPQWKJDKC-CQSZACIVSA-N 0 1 367.471 0.988 40 70 FCIBMN C[N@H+]1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000216906815 488441964 /nfs/dbraw/zinc/44/19/64/488441964.db2.gz MKWMUAPQWKJDKC-AWEZNQCLSA-N 0 1 367.471 0.988 40 70 FCIBMN