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@@](O)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(=O)[O-] ZINC000090275966 372863037 /nfs/dbraw/zinc/86/30/37/372863037.db2.gz PAEGYSXKTMSNGC-SNVBAGLBSA-N -2 1 285.212 -1.152 20 5 CABDML O=C([O-])C[C@H](O)C(=O)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228144418 780450542 /nfs/dbraw/zinc/45/05/42/780450542.db2.gz UGSRNOLKCJEVHU-VKHMYHEASA-N -2 1 273.157 -1.169 20 5 CABDML C[C@](O)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(=O)[O-] ZINC000090275967 373826217 /nfs/dbraw/zinc/82/62/17/373826217.db2.gz PAEGYSXKTMSNGC-JTQLQIEISA-N -2 1 285.212 -1.152 20 5 CABDML O=C([O-])C[C@@H](O)C(=O)Oc1nc[n-]c(=O)c1[N+](=O)[O-] ZINC001228144403 780450940 /nfs/dbraw/zinc/45/09/40/780450940.db2.gz UGSRNOLKCJEVHU-GSVOUGTGSA-N -2 1 273.157 -1.169 20 5 CABDML