smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000004899892 568941395 /nfs/dbraw/zinc/94/13/95/568941395.db2.gz MIROMRNASYKZNL-ULQDDVLXSA-N 0 3 406.483 -0.049 10 0 HBAEHN CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000004899893 568941401 /nfs/dbraw/zinc/94/14/01/568941401.db2.gz QUAAUWNLWMLERT-IHRRRGAJSA-N 0 3 400.524 -0.277 10 0 HBAEHN Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N(C)CCN(C)C)cc1 ZINC000020464958 575366913 /nfs/dbraw/zinc/36/69/13/575366913.db2.gz XUUYHYFBYRYVFE-VSZNYVQBSA-N 0 3 401.529 -0.744 10 0 biogenic HBAEHN