smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000049771868 554325977 /nfs/dbraw/zinc/32/59/77/554325977.db2.gz NQKWOKYIYHENJD-XKLVTHTNSA-N -3 1 607.302 -0.229 10 30 in-vitro KBEEML Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000049771868 554325975 /nfs/dbraw/zinc/32/59/75/554325975.db2.gz NQKWOKYIYHENJD-XKLVTHTNSA-N -3 1 607.302 -0.229 10 30 in-vitro KBEEML