smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000013473519 221268807 /nfs/dbraw/zinc/26/88/07/221268807.db2.gz FXXRIUZMLRLFKP-UUOKFMHZSA-N -1 2 381.669 -1.210 10 0 in-vitro GAAELM Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000013473519 221268805 /nfs/dbraw/zinc/26/88/05/221268805.db2.gz FXXRIUZMLRLFKP-UUOKFMHZSA-N -1 2 381.669 -1.210 10 0 in-vitro GAAELM Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=S)[nH]1 ZINC000013514109 221270222 /nfs/dbraw/zinc/27/02/22/221270222.db2.gz BPZXYEUJBFHASJ-UUOKFMHZSA-N -1 2 379.291 -1.200 10 0 world GAAELM Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=S)[nH]1 ZINC000013514109 221270220 /nfs/dbraw/zinc/27/02/20/221270220.db2.gz BPZXYEUJBFHASJ-UUOKFMHZSA-N -1 2 379.291 -1.200 10 0 world GAAELM Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]1O ZINC000079675514 530169079 /nfs/dbraw/zinc/16/90/79/530169079.db2.gz FXXRIUZMLRLFKP-FTWQFJAYSA-N -1 2 381.669 -1.210 10 0 GAAELM Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]1O ZINC000079675514 530169078 /nfs/dbraw/zinc/16/90/78/530169078.db2.gz FXXRIUZMLRLFKP-FTWQFJAYSA-N -1 2 381.669 -1.210 10 0 GAAELM