smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@H](C)O[N-]C(=O)c1n[nH]c(=O)[n-]1 846663109 583159183 /nfs/dbraw/zinc/15/91/83/583159183.db2.gz ODTTVEMUMMVKRY-BYPYZUCNSA-N -2 1 198.182 -0.254 20 30 ABEDML C=C[C@@H](C)O[N-]C(=O)c1n[nH]c(=O)[n-]1 846663110 583159218 /nfs/dbraw/zinc/15/92/18/583159218.db2.gz ODTTVEMUMMVKRY-SCSAIBSYSA-N -2 1 198.182 -0.254 20 30 ABEDML CCc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1 100047238 343709783 /nfs/dbraw/zinc/70/97/83/343709783.db2.gz PKSJCRYSYZSLGO-UHFFFAOYSA-N -2 1 185.139 -0.063 20 30 ABEDML