smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]c2cc(C)ccc2c1C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000217462293 570307984 /nfs/dbraw/zinc/30/79/84/570307984.db2.gz RWSKYXGTZCYANP-UKRRQHHQSA-N 1 1 298.430 4.088 50 70 CIIAMO CC[C@H]1CCCC[N@H+]1[C@H](C)C(=O)c1c[nH]c2ccccc12 ZINC000217473394 566948470 /nfs/dbraw/zinc/94/84/70/566948470.db2.gz KGJRLCFLZQGIOZ-KGLIPLIRSA-N 1 1 284.403 4.004 50 70 CIIAMO CC[C@@H]1CCCC[N@H+]1[C@H](C)C(=O)c1c[nH]c2ccccc12 ZINC000217473327 566948511 /nfs/dbraw/zinc/94/85/11/566948511.db2.gz KGJRLCFLZQGIOZ-ZIAGYGMSSA-N 1 1 284.403 4.004 50 70 CIIAMO