smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)[C@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C(O)c4c(O)cccc4C[C@@H]3C[C@H]12 ZINC000306122643 568824854 /nfs/dbraw/zinc/82/48/54/568824854.db2.gz XDVCLKFLRAWGIT-XGKBUVFBSA-N 0 2 414.414 0.121 10 30 HCEELN