smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O ZINC000003870862 302320848 /nfs/dbraw/zinc/32/08/48/302320848.db2.gz OIFWQOKDSPDILA-FXQIFTODSA-N -1 2 347.224 -0.079 10 10 EBCELM Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O ZINC000003870862 302320851 /nfs/dbraw/zinc/32/08/51/302320851.db2.gz OIFWQOKDSPDILA-FXQIFTODSA-N -1 2 347.224 -0.079 10 10 EBCELM Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O ZINC000012503816 560212735 /nfs/dbraw/zinc/21/27/35/560212735.db2.gz OIFWQOKDSPDILA-RNJXMRFFSA-N -1 2 347.224 -0.079 10 10 in-vitro EBCELM Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O ZINC000012503816 560212737 /nfs/dbraw/zinc/21/27/37/560212737.db2.gz OIFWQOKDSPDILA-RNJXMRFFSA-N -1 2 347.224 -0.079 10 10 in-vitro EBCELM Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O ZINC000003870864 302320706 /nfs/dbraw/zinc/32/07/06/302320706.db2.gz OIFWQOKDSPDILA-CSMHCCOUSA-N -1 2 347.224 -0.079 10 10 EBCELM Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]c1=O ZINC000003870864 302320707 /nfs/dbraw/zinc/32/07/07/302320707.db2.gz OIFWQOKDSPDILA-CSMHCCOUSA-N -1 2 347.224 -0.079 10 10 EBCELM