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(c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000328606951 569418719 /nfs/dbraw/zinc/41/87/19/569418719.db2.gz UETHRYUNYXZNAL-CQSZACIVSA-N 1 2 417.441 2.309 10 5 HEBELO O=C(c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000328606951 569418721 /nfs/dbraw/zinc/41/87/21/569418721.db2.gz UETHRYUNYXZNAL-CQSZACIVSA-N 1 2 417.441 2.309 10 5 HEBELO O=C(c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000328606950 569418783 /nfs/dbraw/zinc/41/87/83/569418783.db2.gz UETHRYUNYXZNAL-AWEZNQCLSA-N 1 2 417.441 2.309 10 5 HEBELO O=C(c1c[nH]nc1[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000328606950 569418784 /nfs/dbraw/zinc/41/87/84/569418784.db2.gz UETHRYUNYXZNAL-AWEZNQCLSA-N 1 2 417.441 2.309 10 5 HEBELO