smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ncnc2c1ncn2[C@H]1C[C@H](O[P@](=O)([O-])OC[C@@H]2C[C@H](n3cnc4c3ncnc4N)CO2)[C@@H](COP(=O)([O-])[O-])O1 ZINC000161043925 562849132 /nfs/dbraw/zinc/84/91/32/562849132.db2.gz CBSKDKCHKOJBHK-QSLWVIQJSA-N -3 0 628.436 0.060 1 70 KCIFRL