smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N)O[C@@H]1CO[P@](=O)([O-])O ZINC000004097318 560194584 /nfs/dbraw/zinc/19/45/84/560194584.db2.gz RCAQZKLXYOXGDM-YXDKPKCJSA-N -1 2 551.453 -1.286 10 0 in-vitro KAAELM CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N)O[C@@H]1CO[P@@](=O)([O-])O ZINC000004097318 560194582 /nfs/dbraw/zinc/19/45/82/560194582.db2.gz RCAQZKLXYOXGDM-YXDKPKCJSA-N -1 2 551.453 -1.286 10 0 in-vitro KAAELM