smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(C)c(C(=O)NNC(=O)C[N+](C)(C)C)cc1C(=O)NNC(=O)C[N+](C)(C)C ZINC000001636141 717088482 /nfs/dbraw/zinc/08/84/82/717088482.db2.gz UCIZHMRPDMQTKX-UHFFFAOYSA-P 2 0 423.518 -1.367 50 50 HAGARP C[N+](C)(C[C@H](O)CO)NC(=O)c1ccc(C(=O)N[N+](C)(C)C[C@H](O)CO)cc1 ZINC000004065623 717097772 /nfs/dbraw/zinc/09/77/72/717097772.db2.gz DZKLGOHCTJOPLM-HOTGVXAUSA-P 2 0 400.476 -2.165 50 50 HAGARP C[N+](C)(C[C@@H](O)CO)NC(=O)c1ccc(C(=O)N[N+](C)(C)C[C@H](O)CO)cc1 ZINC000004065626 717097872 /nfs/dbraw/zinc/09/78/72/717097872.db2.gz DZKLGOHCTJOPLM-IYBDPMFKSA-P 2 0 400.476 -2.165 50 50 HAGARP C[N+](C)(C[C@@H](O)CO)NC(=O)c1ccc(C(=O)N[N+](C)(C)C[C@@H](O)CO)cc1 ZINC000004065629 717097763 /nfs/dbraw/zinc/09/77/63/717097763.db2.gz DZKLGOHCTJOPLM-HZPDHXFCSA-P 2 0 400.476 -2.165 50 50 HAGARP