smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2c([nH]c1=NNC=C1C(=O)NC(=O)N(Cc3ccco3)C1=O)n(C)c(=O)n(C)c2=O ZINC000009312885 569521907 /nfs/dbraw/zinc/52/19/07/569521907.db2.gz JMUILCLCISUVSR-YFHOEESVSA-N 0 1 442.392 -1.357 50 10 IACAMN O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(CN3CCOCC3)c2o1 ZINC000095454535 569368392 /nfs/dbraw/zinc/36/83/92/569368392.db2.gz ANPGXMKMIUIRKX-JQAJVKEVSA-N 0 1 439.417 -1.491 50 10 IACAMN