smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]CCC[N+](C)(C)CCC[N@H+](C)CCCC[C@H]([NH3+])C(=O)[O-] ZINC000238747143 717162031 /nfs/dbraw/zinc/16/20/31/717162031.db2.gz WNXPSYBBCKSHPR-HNNXBMFYSA-O 3 0 317.498 0.576 1 5 DCBFRP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000072116501 191038136 /nfs/dbraw/zinc/03/81/36/191038136.db2.gz BMEJTMZRLKJDST-IHRRRGAJSA-N 2 0 324.381 0.445 1 5 DCBFRP