smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](N)CCC(=O)[O-])C(=O)[O-] ZINC000015721874 207055559 /nfs/dbraw/zinc/05/55/59/207055559.db2.gz MUSGDMDGNGXULI-DCAQKATOSA-N -3 3 389.405 -0.856 10 0 GBAEHL Nc1nc2c(c(=O)[n-]1)NC1=C([S-])C(S)[C@@H](COP(=O)([O-])[O-])O[C@H]1N2 ZINC000100069871 574417235 /nfs/dbraw/zinc/41/72/35/574417235.db2.gz HPEUEJRPDGMIMY-IFQPEPLCSA-N -4 3 395.359 -0.537 10 0 endogenous,in-vivo GBAEHL