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)NC(=O)N1C[C@H]2CN(C(=O)c3cc(O)[nH]c(=O)c3)C[C@@H](C1)O2 ZINC001271801743 860016932 /nfs/dbraw/zinc/01/69/32/860016932.db2.gz LWIHYUAELABWKP-TXEJJXNPSA-N 0 2 350.375 0.136 20 10 FCCDLN O=C([O-])CS(=O)(=O)CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC001606291262 973694405 /nfs/dbraw/zinc/69/44/05/973694405.db2.gz DRMRRXOVYARIFU-CQSZACIVSA-N 0 2 357.428 0.873 20 10 FCCDLN O=C([O-])CS(=O)(=O)CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC001606291262 973694409 /nfs/dbraw/zinc/69/44/09/973694409.db2.gz DRMRRXOVYARIFU-CQSZACIVSA-N 0 2 357.428 0.873 20 10 FCCDLN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(C3=S=CC=C3)n[nH]2)o1 ZINC000917128318 667061393 /nfs/dbraw/zinc/06/13/93/667061393.db2.gz SHBWABQVULOMIK-UHFFFAOYSA-N 0 2 367.412 0.526 20 10 FCCDLN C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000737567488 667877934 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