Chris, That sounds like a great idea! Optimized similarity and substructure searches are hard to get right, and most libraries leave it as an exercise to the reader to choose the right fingerprinting and db structure. I think the hardest part will be figuring out a robust end-user experience. You'll be writing the "glue" between two domain-specific libraries so you'll need extensibility, error handling, and lots of tutorial documentation.
I attached a 1000-line sample of a much larger raw dataset I have lying around. I think the script should canonicalize the smiles, remove duplicates, skip and error log malformed structures, build fingerprints, ensureIndex on the mongodb, and be able to quickly query things like carboxylic acid substructure or 80% similarity to terephthalic acid. Hope this helps! Pat On Wed, Jul 8, 2020 at 4:27 PM Christopher Zou <cw...@berkeley.edu> wrote: > Dear RDKit Community, > > Hope you're all well! I'm a student from UC Berkeley building an > integration between RDKit and MongoDB as part of Google Summer of Code. > > The idea of the project is twofold: > > 1. Provide tools for building a chemically-intelligent MongoDB > database. > 2. Provide high-performance similarity and substructure search that > leverage MongoDB. > > If you use or would like to use MongoDB as part of your work, I'd love to > get some input from you, either via email or through a short call. What > kinds of Mongo setups are all of you using? What kinds of information would > you like to store? What are some examples of searches? This would help me > build something as usable as possible for all of you. > > Many thanks—I'm incredibly excited to be contributing to this community. > > Best, > Chris > > > > -- > *Christopher Zou * > Computer Science and Biochemistry, > UC Berkeley '22 > > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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c1(cc(cc(c1)C(=O)[O])[C][O])[CH][CH]c1cc(cc(c1)C(=O)[O])C(=O)[O] c1c(cc(cc1C(=O)[O])C(=O)[O])/C=C/c1cc(cc(c1)C(=O)[O])C(=O)[O] C(=O)(c1cc(C(=O)[O])cc(c1)NC(=O)c1ccc(cc1)c1n[n]nn1)[O] C(=O)(c1cc(C(=O)[O])cc(c1)NC(=O)c1ccc(cc1)c1nnn[n]1)[O] C(=O)(c1cc(C(=O)[O])cc(c1)/N=N/c1ccc(cc1)OCc1cc(COc2ccc(cc2)/N=N/c2cc(cc(C(=O)[O])c2)C(=O)[O])cc(COc2ccc(cc2)/N=N/c2cc(cc(C(=O)[O])c2)C(=O)[O])c1)[O] n1ccccc1N/N=C(\C)/c1ccc(cc1)N(c1ccc(/C(=N/Nc2ncccc2)/C)cc1)c1ccc(/C(=N/Nc2ncccc2)/C)cc1 c1(ccc(cc1)C(=O)[O])C(=O)[O] c1c[n+](ccc1c1cc[n+](cc1)[O-])[O-] n1ccccc1N/N=C(\C)/c1ccc(cc1)N(c1ccc(/C(=N/Nc2ncccc2)/C)cc1)c1ccc(/C(=N/Nc2ncccc2)/C)cc1 O=C([O])c1ccc(C(=O)[O])cc1 [O]C(=O)c1ccc(C(=O)[O])cc1 C(=O)(c1ccc(cc1)c1cc(cc(c2ccc(C(=O)[O])cc2)c1)C#Cc1ccc(cc1)N(c1ccc(cc1)C#Cc1cc(c2ccc(C(=O)[O])cc2)cc(c2ccc(C(=O)[O])cc2)c1)c1ccc(cc1)C#Cc1cc(c2ccc(C(=O)[O])cc2)cc(c2ccc(C(=O)[O])cc2)c1)[O] C(=O)(c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)C(=O)[O])[O] c1cc(cc[n+]1[O-])c1cc[n+](cc1)[O-] c1cc(ccn1)/C(=C\[O])/C=O 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[C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.[O]C(=O)c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.[C@@H]12[C@H]3[C@H]4[C@@H]1[C@]12[C@@H]2[C@H]5[C@@H]([C@H]12)[C@]345.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1.O=C([O])c1cc2c(cc1)[n]c1c2cc(C(=O)[O])cc1 [Cl] [O] c1cc(ccn1)c1ccncc1 C(COCC(COc1ccc(cc1)C(=O)[O])(COc1ccc(cc1)C(=O)[O])COc1ccc(cc1)C(=O)[O])(COc1ccc(cc1)C(=O)[O])(COc1ccc(cc1)C(=O)[O])COc1ccc(cc1)C(=O)[O] C(COCC(COc1ccc(cc1)C(=O)[O])(COc1ccc(cc1)C(=O)[O])COc1ccc(cc1)C(=O)[O])(COc1ccc(cc1)C(=O)[O])(COc1ccc(cc1)C(=O)[O])COc1ccc(cc1)C(=O)[O] C(=O)(c1c[n]nc1)[O] C(=O)(c1cn[n]c1)[O] C(COCC(COc1ccc(cc1)C(=O)[O])(COc1ccc(cc1)C(=O)[O])COc1ccc(cc1)C(=O)[O])(COc1ccc(cc1)C(=O)[O])(COc1ccc(cc1)C(=O)[O])COc1ccc(cc1)C(=O)[O] [O] c1cc(c2ccncc2)ccn1 n1ccc(c2ccncc2)cc1 [F] [O] c1cc(c2ccncc2)ccn1 c1cc(ccn1)c1ccncc1 c1(cc(cc(c1)C(=O)[O])NC(=O)c1ccncc1)C(=O)[O] c1(cc(cc(c1)NC(=O)c1ccncc1)C(=O)[O])C(=O)[O] FP(F)(F)(F)(F)F O=N(=O)[O] n1ccc(cc1)c1ccncc1 C(=O)(/C=C/C(=O)[O])[O] C(=O)(C(=O)[O])[O] C(=O)(c1ccc(cc1)C#C/C(=C/[CH])/[CH])[O] C(=O)(c1ccc(cc1)C#Cc1ccc(C(=O)[O])cc1)[O] c1cc(ccn1)c1ccncc1 n1ccc(cc1)/C(=N/CC/N=C(\C)/c1ccncc1)/C C(=O)(c1cc(C(=O)[O])cc(C(=O)[O])c1)[O] c1nnc[n]1 C(=O)(c1ccc(cc1)c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)c1ccc(cc1)C(=O)[O])[O] C(=O)(c1ccc(cc1)c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)c1ccc(cc1)C(=O)[O])[O] C(=O)(c1ccc(cc1)c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)c1ccc(cc1)C(=O)[O])[O] c1(cc(ccc1)OCc1c(c(COc2cc(ccc2)C(=O)[O])c(c(COc2cc(ccc2)C(=O)[O])c1COc1cc(ccc1)C(=O)[O])COc1cc(ccc1)C(=O)[O])COc1cc(ccc1)C(=O)[O])C(=O)[O] C(=O)(c1cc(C(=O)[O])cc(c1)/C/1=C/2\C=CC(=N2)/C(=c/2\cc/c(=C(/c3cc(C(=O)[O])cc(C(=O)[O])c3)\C3=N/C(=C(\c4ccc1[n]4)/c1c(cccc1Br)Br)/C=C3)/[n]2)/c1c(cccc1Br)Br)[O] C(=O)(c1cc(C(=O)[O])cc(c1)/C/1=C/2\C=CC(=N2)/C(=c/2\cc/c(=C(\c3cc(C(=O)[O])cc(C(=O)[O])c3)/C3=N/C(=C(\c4ccc1[n]4)/c1c(cccc1Br)Br)/C=C3)/[n]2)/c1c(cccc1Br)Br)[O] C(=O)(c1cc(C(=O)[O])cc(c1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(\c3cc(C(=O)[O])cc(C(=O)[O])c3)/C3=N/C(=C(/c4ccc1[n]4)\c1c(cccc1Br)Br)/C=C3)/[n]2)/c1c(cccc1Br)Br)[O] C(=O)(c1cc(C(=O)[O])cc(c1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(\c3cc(C(=O)[O])cc(C(=O)[O])c3)/C3=N/C(=C(\c4ccc1[n]4)/c1c(cccc1Br)Br)/C=C3)/[n]2)/c1c(cccc1Br)Br)[O] C(=O)(c1cc(C(=O)[O])cc(c1)/C/1=C\2/C=CC(=N2)/C(=c\2/cc/c(=C(\c3cc(C(=O)[O])cc(C(=O)[O])c3)/C3=N/C(=C(\c4ccc1[n]4)/c1c(cccc1Br)Br)/C=C3)/[n]2)/c1c(cccc1Br)Br)[O] [O] C(=O)(c1ccc(cc1)c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)c1ccc(cc1)C(=O)[O])[O] C(=O)(c1ccc(cc1)c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)c1ccc(cc1)C(=O)[O])[O] C1=N[CH]C=N1 c1ncc[n]1 [CH]1C=NC=N1 c1c[n]cn1 [OH] n1ncn(c1)c1ccc([N])cc1 C(=O)(c1cc(c(C#Cc2c(cc(C(=O)[O])cc2)Br)cc1)Br)[O] C(=O)(c1cc(c(cc1)C#Cc1c(cc(cc1)C(=O)[O])Br)Br)[O] C(=O)(c1ccc(c(c1)Br)C#Cc1ccc(cc1Br)C(=O)[O])[O] C1=C[C](c2ccncc2)C=C[N]1 c1cc(ccn1)c1ccncc1 C(=O)(c1ccc(cc1)c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)c1ccc(cc1)C(=O)[O])[O] [OH] n1ncn(c1)c1ccc(n2cnnc2)cc1 n1ncn(c1)c1ccc(n2cnnc2)cc1 [c]1c([c]n[n]1)c1ccc(c2[c][n]n[c]2)cc1 [c]1c([c]n[n]1)c1ccc(cc1)c1[c][n]n[c]1 C(=O)(c1cc(cc(c1)C(=O)[O])C(=O)[O])[O] O=C([N]c1[c][c][c]c([N]C(=O)C(=O)[O])[c]1)C(=O)[O] O=C([O])[C@H]([O])[C@@H]([O])[C@H]([O])[C@H]([O])C(=O)[O] [O]C(=O)[C@H]([O])[C@@H]([O])[C@H]([O])[C@H]([O])C(=O)[O] C1(=O)C(=O)C(=O)C1=O [H] C(=O)(c1ccc(C(=O)[O])s1)[O] C(=O)([O])[O] C(=O)(c1cc(C(=O)[O])[nH]n1)[O] [Cl] c1(N)nnn[n]1 c1(nnn[n]1)N O=C([O])c1c(cc(c(c1)C(=O)[O])C(=O)[O])C(=O)O [O]C(=O)c1c(cc(c(c1)C(=O)[O])C(=O)[O])C(=O)O O=C([O])c1[c]c(C(=O)[O])[c]c(C(=O)[O])[c]1.N.N.N [O]C(=O)c1[c]c(C(=O)[O])[c]c(C(=O)[O])[c]1.N.N.N C(=O)(c1cccc(c1)OCc1c(c(COc2cccc(C(=O)[O])c2)c(c(COc2cccc(C(=O)[O])c2)c1COc1cccc(C(=O)[O])c1)COc1cccc(C(=O)[O])c1)COc1cccc(C(=O)[O])c1)[O] [O]C(=O)c1c(C(=O)[O])cc(C(=O)[O])c(C(=O)[O])c1 P(=O)([O])[O] P([O])([O])[P][O] [P](P([O])[O])[O] BrC#C[C]N([C@@]12[N@@]([C](Br)O[C])([C]1)[C]O2)[C].BrC#C[C]N([C@@]12[N@@]([C](Br)O[C])([C]1)[C]O2)[C].BrC#C[C]N([C@@]12[N@@]([C](Br)O[C])([C]1)[C]O2)[C].BrC#C[C]N([C@@]12[N@@]([C](Br)O[C])([C]1)[C]O2)[C].Br[C](O[C])[N@@]12[C][C@]2(O[C]1)N([C]C#CBr)[C].Br[C](O[C])[N@@]12[C][C@]2(O[C]1)N([C]C#CBr)[C].Br[C](O[C])[N@@]12[C][C@]2(O[C]1)N([C]C#CBr)[C].Br[C](O[C])[N@@]12[C][C@]2(O[C]1)N([C]C#CBr)[C].[O]C(=O)c1[c][c]c([c][c]1)C(=O)[O].[O]C(=O)c1[c][c]c([c][c]1)C(=O)[O].[O]C(=O)c1[c][c]c([c][c]1)C(=O)[O].[O]C(=O)c1[c][c]c([c][c]1)C(=O)[O].[C]O[C](Br)[N@]12[C][C@@]2(O[C]1)N([C]C#CBr)[C].[C]O[C](Br)[N@]12[C][C@@]2(O[C]1)N([C]C#CBr)[C].[C]O[C](Br)[N@]12[C][C@@]2(O[C]1)N([C]C#CBr)[C].[C]O[C](Br)[N@]12[C][C@@]2(O[C]1)N([C]C#CBr)[C].Br[C](O[C])[N@@]12[C][C@]2(O[C]1)N([C]C#CBr)[C].Br[C](O[C])[N@@]12[C][C@]2(O[C]1)N([C]C#CBr)[C].Br[C](O[C])[N@@]12[C][C@]2(O[C]1)N([C]C#CBr)[C].Br[C](O[C])[N@@]12[C][C@]2(O[C]1)N([C]C#CBr)[C].O=C([O])C(=[C])[C].O=C([O])c1[c][c]c([c][c]1)C(=O)[O].[C]#[C].[C](=[C])[C].[C].[C]=C([C])C(=O)[O].[C](=[C])[C].[C]#[C].[C] BrC#C[C]N([C@@]12[N@@]([C](Br)O[C])([C]1)[C]O2)[C].BrC#C[C]N([C@@]12[N@@]([C](Br)O[C])([C]1)[C]O2)[C].Br[C](O[C])[N@@]12[C][C@]2(O[C]1)N([C]C#CBr)[C].Br[C](O[C])[N@@]12[C][C@]2(O[C]1)N([C]C#CBr)[C].Br[C](O[C])[N@@]12[C][C@]2(O[C]1)N([C]C#CBr)[C].Br[C](O[C])[N@@]12[C][C@]2(O[C]1)N([C]C#CBr)[C].[O]C(=O)C(=[C])[C].[O]C(=O)c1[c][c]c([c][c]1)C(=O)[O].[C]=C([C])C(=O)[O].[C]O[C](Br)[N@]12[C][C@@]2(O[C]1)N([C]C#CBr)[C].[C]O[C](Br)[N@]12[C][C@@]2(O[C]1)N([C]C#CBr)[C].Br[C](O[C])[N@@]12[C][C@]2(O[C]1)N([C]C#CBr)[C].Br[C](O[C])[N@@]12[C][C@]2(O[C]1)N([C]C#CBr)[C].Br[C](O[C])[N@@]12[C][C@]2(O[C]1)N([C]C#CBr)[C].Br[C](O[C])[N@@]12[C][C@]2(O[C]1)N([C]C#CBr)[C].O=C([O])c1[c][c]c([c][c]1)C(=O)[O].O=C([O])c1[c][c]c([c][c]1)C(=O)[O].O=C([O])/[C]=[C]/[C].O=C([O])[C]=[C].[C].[C](=[C])[C].[C](=[C])[C] Br[C].O=[C][O].[C]12[C]3[C@]45[C@]61[C@]17[C@@]26[C]1[C]1[C@]47[C@@]351.Br[C].[O][C]=O Br[C].[O][C]=O.[C]12[C]3[C@@]45[C@@]61[C@@]17[C@]26[C]1[C]1[C@@]47[C@]351.Br[C].O=[C][O] n1ncn(n2cnnc2)c1 C(=O)(c1c(C(=O)[O])cc(C(=O)[O])c(c1)C(=O)[O])[O] c1(c2cnccn2)nnn[n]1 C(=O)(c1cc(C(=O)[O])cc(C(=O)[O])c1)[O] C(=O)(c1cc(C(=O)[O])cc(c1)C(=O)[O])[O] C(=O)(c1cc(cc(C(=O)[O])c1)C(=O)[O])[O] C(=O)(c1cc(cc(c1)C(=O)[O])C(=O)[O])[O] c1(C(=O)[O])cc(C(=O)[O])cc(C(=O)[O])c1 c1(C(=O)[O])cc(cc(c1)C(=O)[O])C(=O)[O] c1(cc(C(=O)[O])cc(c1)C(=O)[O])C(=O)[O] c1c(C(=O)[O])cc(cc1C(=O)[O])C(=O)[O] c1c(cc(C(=O)[O])cc1C(=O)[O])C(=O)[O] c1c(cc(cc1C(=O)[O])C(=O)[O])C(=O)[O] BrBr.O=C([O])C1=C[C]2[C]([C]([CH]1)C(=O)[O])[C][C]2 BrBr.[C]1[C][C]2[C]1[C]([CH]C(=C2)C(=O)[O])C(=O)[O] BrBr.[O]C(=O)C1=C[C]2[C]([C]([CH]1)C(=O)[O])[C][C]2 BrC1=C([CH]C(=C(Br)C1)C(=O)[O])C(=O)[O] Br[C][C]([C])[C]([C])[C]Br.Brc1c(cc([c]c1)C(=O)[O])C(=O)[O].Brc1c(cc([c]c1)C(=O)[O])C(=O)[O] Brc1c(cc([c]c1)C(=O)[O])C(=O)[O].Br[C][C]([C])[C]([C])[C]Br.Brc1c(cc([c]c1)C(=O)[O])C(=O)[O] O([CH]N(C)C)O/[C]=N/[C]([C])[C] O([CH]N(C)C)O/[C]=N\[C]([C])[C] P(=O)([O])([O])[C@@H](O)C(=O)[O] P(=O)([O])([O])[C@H](O)C(=O)[O] [P@@](=O)(O)([O])[C@H](O)C(=O)[O] [P@](=O)([O])(O)[C@@H](O)C(=O)[O] C(COc1ccc(cc1)C(=O)[O])(COc1ccc(cc1)C(=O)[O])(COc1ccc(cc1)C(=O)[O])COCC(COc1ccc(cc1)C(=O)[O])(COc1ccc(cc1)C(=O)[O])COc1ccc(cc1)C(=O)[O] c1nccn1c1ccc(cc1)n1cncc1 C(C(COc1ccc(C(=O)[O])cc1)(COc1ccc(cc1)C(=O)[O])COc1ccc(cc1)C(=O)[O])OCC(COc1ccc(C(=O)[O])cc1)(COc1ccc(C(=O)[O])cc1)COc1ccc(cc1)C(=O)[O] c1(ccc(C(=O)[O])cc1)OCC(COc1ccc(C(=O)[O])cc1)(COCC(COc1ccc(C(=O)[O])cc1)(COc1ccc(C(=O)[O])cc1)COc1ccc(cc1)C(=O)[O])COc1[c][c]c(C(=O)[O])[c][c]1 c1(ccc(cc1)c1ccc(cc1)n1ccnc1)n1c[c]nc1 c1c(ccc(C(=O)[O])c1)OCC(COc1ccc(cc1)C(=O)[O])(COCC(COc1ccc(cc1)C(=O)[O])(COc1ccc(C(=O)[O])cc1)COc1ccc(C(=O)[O])cc1)COc1ccc(cc1)C(=O)[O] c1c(ccc(c1)C(=O)[O])OCC(COc1ccc(cc1)C(=O)[O])(COCC(COc1ccc(cc1)C(=O)[O])(COc1ccc(C(=O)[O])cc1)COc1[c][c]c(C(=O)[O])[c][c]1)COc1ccc(C(=O)[O])cc1 c1cc(ccc1c1ccc(cc1)n1[c][c]n[c]1)n1cncc1 c1nccn1c1ccc(cc1)c1ccc(cc1)n1[c][c]n[c]1 C(=O)([C@]1(C([C@H](CC1)C(=O)[O])(C)C)C)[O] c1c(cc2ccc3cc(cnc3c2n1)n1cncc1)n1cncc1 O=C([O])c1[c][c]c(C2=[C][C][N][C]2)[c][c]1 O=C([O])c1[c][c]c([c][c]1)[C]1[C][C]=N[C][C]1 O=C([O])c1[c][c]c(c2[c][c]n[c][c]2)[c][c]1 O=C([O])c1[c]c2c([C]=C(C(=O)[O])[C][C]2)[c][c]1 [O]C(=O)c1[c][c]c(C2=[C][C][N][C]2)[c][c]1 [O]C(=O)c1[c][c]c([c][c]1)[C]1[C][C]=N[C][C]1 [O]C(=O)c1[c][c]c(c2[c][c]n[c][c]2)[c][c]1 [O]C(=O)c1[c]c2c([C]=C(C(=O)[O])[C][C]2)[c][c]1 P([O])([O])[O] O=C([O])[C@H]1N(C(=O)c2cc(C(=O)[O])cc(c2)C(=O)[O])CCC1 O=C([O])c1cc(cc(c1)C(=O)[O])C(=O)N1[C@H](C(=O)[O])CCC1 [O]C(=O)[C@H]1N(C(=O)c2cc(C(=O)[O])cc(c2)C(=O)[O])CCC1 [O]C(=O)c1cc(cc(c1)C(=O)[O])C(=O)N1[C@H](C(=O)[O])CCC1 n1ccccc1 P([O])([O])[O] P(=O)(CCCCP(=O)([O])[O])([O])[O] O=P([O])([C]/[C]=[C]/[C]P(=O)([O])[O])[O] O=P([O])([O])[C][C][C][C][C]P(=O)([O])[O] [O]P(=O)([O])[C][C][C][C][C]P(=O)([O])[O] c1c(C#Cc2ccc(cc2)C(=O)[O])cc(cc1C#Cc1ccc(C(=O)[O])cc1)C#Cc1ccc(cc1)C(=O)[O] C(=O)(C(F)(F)F)[O] [OH] c1nncn1n1cnnc1 C(=O)(C(=O)[O])[O] C(=O)([C@@H]([C@H](C(=O)[O])O)O)[O] C(=O)([C@H]([C@@H](C(=O)[O])O)O)[O] O O=C([O])c1cc(cc(c1)c1c(cc(cc1C(=O)[O])C(=O)[O])C(=O)[O])C(=O)[O] [O]C(=O)c1cc(cc(c1)c1c(cc(cc1C(=O)[O])C(=O)[O])C(=O)[O])C(=O)[O] n1cn(cc1)c1ccc(n2cncc2)cc1 C(=O)(C(=O)[O])[O] C(=O)([C@@H]([C@H](C(=O)[O])[O])[O])[O] C(=O)([C@H]([C@@H](C(=O)[O])[O])[O])[O] C(n1nc(c(c1C)c1ccc(cc1)C(=O)[O])C)n1nc(c(c1C)c1ccc(cc1)C(=O)[O])C C(=O)(CNCC(=O)[O])[O] O=C(N1CCN(C(=O)c2ccncc2)CC1)c1ccncc1 O=C(N1CCN(CC1)C(=O)c1ccncc1)c1ccncc1 O=C([O])c1c(cccc1)/C=C/C(=O)[O] [O]C(=O)c1c(cccc1)/C=C/C(=O)[O] P([O])([O])[O] O=C([O])[C@H]1CC[C@H](C(=O)[O])CC1 [O]C(=O)[C@H]1CC[C@H](C(=O)[O])CC1 n1ccc(c2cc(c3ccncc3)cnc2)cc1 O=C([O])c1ccc(N(c2ccc(cc2)C(=O)[O])c2ccc(cc2)C(=O)[O])cc1 O=C([O])c1ccc(cc1)N(c1ccc(cc1)C(=O)[O])c1ccc(C(=O)[O])cc1 [O]C(=O)c1ccc(N(c2ccc(cc2)C(=O)[O])c2ccc(cc2)C(=O)[O])cc1 [O]C(=O)c1ccc(cc1)N(c1ccc(cc1)C(=O)[O])c1ccc(C(=O)[O])cc1 O=C([O])c1cc[c]c2ccccc12.[O][C]O[O] O=C([O])c1ccc(C(=O)[O])c2ccccc12 [H] [O]C(=O)c1cc[c]c2ccccc12.[O][C]O[O] [O]C(=O)c1ccc(C(=O)[O])c2ccccc12 C1=CC=C[CH]1 C1=C[CH]C=C1 [CH]1C=CC=C1 [C]1([O])[CH][C@@H]1C[CH][C].[CH][C@H]1[C]([CH])O1.[C][CH2] [C]1([O])[CH][C@H]1C[CH][C].[CH][C@@H]1[C]([CH])O1.[C][CH2] [C]=O [C]O[O] n1ccc(cc1)/C=C/c1ccncc1 n1ccc(cc1)/C=C\c1ccncc1 s1c(C(=O)[O])ccc1C(=O)[O] c1(ccc(cc1C(=O)[O])C(C(F)(F)F)(C(F)(F)F)c1cc(c(cc1)C(=O)[O])C(=O)[O])C(=O)[O] c1(ccc(cc1C(=O)[O])C(C(F)(F)F)(C(F)(F)F)c1cc(c(cc1)C(=O)[O])C(=O)[O])[C]=O O=C([O])c1cc(c(c(c1)C(=O)[O])c1ccc(C(=O)[O])cc1)C(=O)[O] [O]C(=O)c1cc(c(c(c1)C(=O)[O])c1ccc(C(=O)[O])cc1)C(=O)[O] n1cc[c]cc1.[N][C@@H]([CH])[C@H]1[CH][C]2[CH][C@H]([C@@]12C)[CH][CH].[CH2][CH2].[CH2][C][CH].[H].[H] n1cc[c]cc1.[N][C@H]([CH])[C@@H]1[CH][C]2[CH][C@@H]([C@]12C)[CH][CH].[CH2][CH2].[CH2][C][CH].[H].[H] O=C([O])c1ccc(C(=O)[O])cc1 [N]/C=C\C(=[CH])/C=C/c1ccc(/C=C/c2ccncc2)cc1 [O]C(=O)c1ccc(C(=O)[O])cc1 n1ccc(cc1)/C=C/c1ccc(/C=C/C(=[CH])/C=C\[N])cc1 C(=O)(CC(=O)[O])[O] O=P([O])([O])[O] P(=O)([O])([O])[O] [OH] [O] [O]P(=O)([O])[O] C(=O)(CC(=O)[O])[O] C(=O)([CH]C(=O)[O])[O] O [OH] C(=O)(CC(=O)[O])[O] C(C(=O)[O])C(=O)[O] [C@@](Cn1cncc1)([P@@](=O)([O])O)(P(=O)([O])[O])O [C@](Cn1cncc1)([P@@](=O)([O])O)(P(=O)([O])[O])O n1ccc(cc1)/C=C/c1ccncc1 C(=O)(CC(=O)[O])[O] C(=O)(c1ccc(cc1)C(=O)[O])[O] c1cc(ccn1)c1c2c(c(cc1)c1ccncc1)nsn2 C(=O)(CC(=O)[O])[O] C(=O)([C]C(=O)[O])[O] O=C(Nc1cnccc1)Cc1ccc(CC(=O)Nc2cnccc2)cc1 n1cc(NC(=O)Cc2ccc(CC(=O)Nc3cnccc3)cc2)ccc1 O=C1C(=O)[CH]C(=O)C(=O)[CH]1 c1c(ccc(C(=O)[O])c1)NC(=O)c1cncc(c1)C(=O)Nc1ccc(cc1)C(=O)[O] O=[C][O].O=[C][O].[C]1[C]2[C]([C][C@@H]([CH])[C@H]1[CH])[C]1[C@H]3[CH][C@H]4[CH][C@H]([C@@H]34)[C@@H]([CH])[C]21 O=[C][O].O=[C][O].[C]1[C]2[C]([C][C@H]([CH])[C@@H]1[CH])[C]1[C@@H]3[CH][C@@H]4[CH][C@@H]([C@H]34)[C@H]([CH])[C]21 O=[C][O].[O][C]=O.[C]/C=C\[C]=[C]/[C][C]1[C][C@@H]([CH])[C@@H]([CH])[C@@H]([CH])[C@H]1[CH].[CH].[CH] O=[C][O].[O][C]=O.[C]/C=C\[C]=[C]/[C][C]1[C][C@H]([CH])[C@H]([CH])[C@H]([CH])[C@@H]1[CH].[CH].[CH] O=[C][O].[O][C]=O.[C][C@@]12[C][C]([C]C([CH])[CH])[C]1[C@H]([CH])[C@H]([CH])[C@H]([CH])[C@@H]2[CH].[CH] O=[C][O].[O][C]=O.[C][C@]12[C][C]([C]C([CH])[CH])[C]1[C@@H]([CH])[C@@H]([CH])[C@@H]([CH])[C@H]2[CH].[CH] [H] [O][C]=O.[O][C]=O.[C][C@@]12[C][C]([C]C([CH])[CH])[C]1[C@H]([CH])[C@H]([CH])[C@H]([CH])[C@@H]2[CH].[CH] [O][C]=O.[O][C]=O.[C][C@]12[C][C]([C]C([CH])[CH])[C]1[C@@H]([CH])[C@@H]([CH])[C@@H]([CH])[C@H]2[CH].[CH] c1(cc(cc(C(=O)[O])c1)n1c(=O)c2c(c1=O)cc1c(c(=O)n(c1=O)c1cc([C]=O)cc(c1)[C]=O)c2)C(=O)[O] O=C([O])c1ccc(C(=O)[O])cc1 O=C([O])c1ccc(cc1)C(=O)[O] [O]C(=O)c1ccc(C(=O)[O])cc1 [O]C(=O)c1ccc(cc1)C(=O)[O] c1c(C(=O)[O])cc(cc1C(=O)[O])n1c(=O)c2cc3c(c(=O)n(c4cc(cc(c4)C(=O)[O])C(=O)[O])c3=O)cc2c1=O O=C([O])C(=O)[O] [O]C(=O)C(=O)[O] O=C([O])C1=CN(C=CC1)Cc1ccc(cc1)C(=O)[O] [O]C(=O)C1=CN(C=CC1)Cc1ccc(cc1)C(=O)[O] n1ccc(cc1)c1ccncc1 O=C([O])c1ccncc1 O=[C][O].n1c2[C][C]c2[c]c2[C][C]c12 [O] [O].O=[C][C]1[C]2[C][C]([N])[C]([O])O[C][C]1[C]2/[C]=[C]/[N][C] [O].O=[C][C]1[C]2[C][C]([N])[C]([O])O[C][C]1[C]2/[C]=[C]\[N][C] [O]C(=O)c1ccncc1 [O][C]1[C]([C]2[C][C]([O])[C]([N][C][C][C]2[C][C][C]=O)[O])[N]1 [O][C]=O.n1c2[C][C]c2[c]c2[C][C]c12 Br/C/1=C/2\C([C@@H]([C]([N]2)/C(=C/2\[N][C@@H]([C@@]3([N][C](/C(=C/4\[N][C]1[C@H]([C@@]4(CC(=O)N)C)CCC(=O)N)/C)[C@H]([C@]3(C)CC(=O)N)CCC(=O)N)C)[C@@H]([C@@]2(C)CCC(=O)NC[C@H](O[P@@](=O)(O[C@H]1[C@H]([C@@H](n2cnc3cc(c(cc23)C)C)O[C@@H]1CO)O)[O])C)CC(=O)N)/C)CCC(=O)N)(C)C Br/C/1=C/2\C([C@@H]([C]([N]2)/C(=C/2\[N][C@@H]([C@@]3([N][C](/C(=C/4\[N][C]1[C@H]([C@@]4(CC(=O)N)C)CCC(=O)N)/C)[C@H]([C@]3(C)CC(=O)N)CCC(=O)N)C)[C@@H]([C@@]2(C)CCC(=O)NC[C@H](O[P@](=O)(O[C@H]1[C@H]([C@@H](n2cnc3cc(c(cc23)C)C)O[C@@H]1CO)O)[O])C)CC(=O)N)/C)CCC(=O)N)(C)C [N][N][N] O=C([O])c1ccc(NC(=O)Nc2cc(NC(=O)Nc3ccc(cc3)C(=O)[O])cc(NC(=O)Nc3ccc(cc3)C(=O)[O])c2)cc1 [O]C(=O)c1ccc(NC(=O)Nc2cc(NC(=O)Nc3ccc(cc3)C(=O)[O])cc(NC(=O)Nc3ccc(cc3)C(=O)[O])c2)cc1 [C]1[C]N2[C][C]N1[C]2 [O] [n]1[c][c]n[c]1 [C]1[C]N2[C][C]N1[C]2 [N]1[C][C][N][C]1 [O] [OH] c1(cc(cc(c1)Cc1cc(cc(c1)C(=O)[O])C(=O)[O])C(=O)[O])C(=O)[O] C1(=O)[CH]C(=O)[N]C=N1 C1(=O)[CH][C]=NC=N1 [CH]1[CH]C(=O)[N]C=N1 [OH] c1(cc(cc(c1)C(=O)[O])Cc1cc(cc(c1)C(=O)[O])C(=O)O)C(=O)[O] O=C([O])c1cc(C(=O)[O])ccc1c1cncc(c1)c1c(C(=O)[O])cc(cc1)C(=O)[O] O=C[O] [O]C(=O)c1cc(C(=O)[O])ccc1c1cncc(c1)c1c(C(=O)[O])cc(cc1)C(=O)[O] O=C([O])CC([O])(C(=O)[O])CC(=O)[O] O=C([O])C[C@]([O])(C(=O)[O])CC(=O)OO[C@@](CC(=O)[O])(C(=O)[O])CC(=O)O[O] [NH4] [O] [O]C(=O)CC([O])(C(=O)[O])CC(=O)[O] [O]C(=O)C[C@@]([O])(C(=O)[O])CC(=O)O[O] [O]OC(=O)C[C@@]([O])(CC(=O)[O])C(=O)[O] C(=O)(c1cc(cc(c1)c1cc(cc(c1)C(=O)[O])C(=O)[O])C(=O)[O])[O] O C(=O)(c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)C(=O)[O])[O] O c1(ccc(cc1)C(=O)[O])C(=O)[O] c1c(ccc(c1)C(=O)[O])C(=O)[O] c1cc(ccc1C(=O)[O])C(=O)[O] C(=O)(c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)C(=O)[O])[O] O c1(ccc(cc1)C(=O)[O])C(=O)[O] c1c(ccc(c1)C(=O)[O])C(=O)[O] c1cc(ccc1C(=O)[O])C(=O)[O] C(=O)(c1ccc(cc1)C(=O)[O])[O] c1(ccc(cc1)C(=O)[O])C(=O)[O] c1c(ccc(c1)C(=O)[O])C(=O)[O] c1cc(ccc1C(=O)[O])C(=O)[O] C(=O)(c1ccc(cc1)/N=N/c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)/N=N/c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)/N=N/c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)/N=N/c1ccc(C(=O)[O])cc1)[O] O=C([O])c1cc(C(=O)[O])cc(NC(=O)Nc2cc(NC(=O)Nc3cc(C(=O)[O])cc(C(=O)[O])c3)cc(NC(=O)Nc3cc(C(=O)[O])cc(C(=O)[O])c3)c2)c1 [O]C(=O)c1cc(C(=O)[O])cc(NC(=O)Nc2cc(NC(=O)Nc3cc(C(=O)[O])cc(C(=O)[O])c3)cc(NC(=O)Nc3cc(C(=O)[O])cc(C(=O)[O])c3)c2)c1 C(=O)(c1ccc(cc1)/N=N/c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)[N][N]c1ccc(C(=O)[O])cc1)[O] c1(ccc(cc1)[N][N]c1ccc(cc1)C(=O)[O])C(=O)[O] O=C([O])c1cc(C(=O)[O])cc(NC(=O)Nc2cc(NC(=O)Nc3cc(C(=O)[O])cc(C(=O)[O])c3)cc(NC(=O)Nc3cc(C(=O)[O])cc(C(=O)[O])c3)c2)c1 [O]C(=O)c1cc(C(=O)[O])cc(NC(=O)Nc2cc(NC(=O)Nc3cc(C(=O)[O])cc(C(=O)[O])c3)cc(NC(=O)Nc3cc(C(=O)[O])cc(C(=O)[O])c3)c2)c1 C(=O)(c1cncnc1)[O] C(=O)(c1[c]cc(cc1)c1ccc(cc1)C(=O)[O])[O] C(=O)(c1cc(cc(c1)[N])C(=O)[O])[O] C(=O)(c1cc(cc(c1)[N])[C]([O])[O])[O] C(=O)(c1ccc(cc1)c1c[c]c(cc1)C(=O)[O])[O] C(=O)(c1ccc(cc1)c1ccc(cc1)C(=O)[O])[O] C(=O)([C]1C=C(C(=O)[O])[CH][C]([C]1)[N])[O] C(=O)(c1cc(C(=O)[O])cc(c1)[N])[O] C(=O)(c1ccc(cc1)c1ccc(cc1)C(=O)[O])[O] C[N]C [C]1(c2ccc(cc2)c2ccc(cc2)C(=O)[O])OO1 C(=O)([C]C(=O)[O])[O] C(=O)([O])[C]C(=O)[O] C(=O)([C@@H](C)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)C(=O)[O])C(=O)N[C@H](C)C(=O)[O])[O] c1cc(ccn1)c1ccncc1 c1cnccc1c1ccncc1 C(=O)(c1cncnc1)[O] [Cl] c1cc(ccn1)[C@@H]1[C@@H](c2ccncc2)[C@@H]([C@H]1c1ccncc1)c1ccncc1 c1cc(ccn1)[C@H]1[C@H](c2ccncc2)[C@H]([C@@H]1c1ccncc1)c1ccncc1 C(=O)([C@H](C)NC(=O)c1cc(cc(c1)C(=O)N[C@@H](C)C(=O)[O])C(=O)N[C@@H](C)C(=O)[O])[O] c1cc(ccn1)c1ccncc1 c1cnccc1c1ccncc1 C(CN(C)CCO)[O] C(C[O])N(CCO)C N(=O)(=O)[O] [C]#N C(=O)([C@@H](C)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)C(=O)[O])C(=O)N[C@H](C)C(=O)[O])[O] c1cc(ccn1)c1ccncc1 c1cnccc1c1ccncc1 C(=O)(c1cc2c(cc1)cc(cc2)C(=O)[O])[O] C(=O)(c1ccc2c(c1)ccc(c2)C(=O)[O])[O] C1N2CN3CN1CN(C2)C3 C(=O)(c1ccc(cc1)/C=C/c1ccc(cc1)C(=O)[O])[O] C(=O)(c1ccc(cc1)/C=C\c1ccc(cc1)C(=O)[O])[O] C[N]C c1(cc(cc(c1)C(=O)[O])C(=O)[O])O c1(cc(c(cc1C(=O)[O])C(=O)[O])C(=O)[O])C(=O)[O] c1c(C(=O)[O])c(cc(c1C(=O)[O])C(=O)[O])C(=O)[O] C(=O)(c1cc2c(cc1)cc(cc2)C(=O)[O])[O] C(=O)(c1cc2ccc(cc2cc1)C(=O)[O])[O] C1N2CN3CN(CN1C3)C2 C1N2CN3CN1CN(C2)C3 c1(C(=O)[O])ccc2cc(C(=O)[O])ccc2c1 C(=O)(c1c(C(=O)[O])cc(C(=O)[O])c(c1)C(=O)[O])[O] C(=O)(c1cc2ccc(cc2cc1)C(=O)[O])[O] C(=O)(c1ccc2cc(ccc2c1)C(=O)[O])[O] C1N2CN3CN1CN(C2)C3 C(=O)(c1c(C(=O)[O])cc(C(=O)[O])c(c1)C(=O)[O])[O] C(=O)(c1cc(C(=O)[O])c(C(=O)[O])cc1C(=O)[O])[O] N.[CH].[CH2]CC[CH2].[CH].[NH4].[NH4].[H][H].[H].[H] O=C[O] [O]C=O C(=O)(c1c(C(=O)[O])cc(C(=O)[O])c(C(=O)[O])c1)[O] C(=O)(c1c(C(=O)[O])cc(C(=O)[O])c(c1)C(=O)[O])[O] C(=O)(c1cc(C(=O)[O])c(C(=O)[O])cc1C(=O)[O])[O] C(=O)(Cc1ccc(CC(=O)[O])cc1)[O] [CH]=C(C=[CH])/C=C/c1ccc(/C=C/C(=[CH])C=[CH])cc1 c1cc(ccn1)/C=C/c1ccc(/C=C/[C]C=[CH])cc1 C(=O)(c1cc(C(=O)[O])c(C(=O)[O])cc1C(=O)[O])[O] C(=O)(c1ccc(cc1)/N=N/c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)/N=N\c1ccc(C(=O)[O])cc1)[O] N#[C] N\1=C(/[CH]/C(=N/[C@]23[C@]4(/N=C(\C)/[CH]/C(=N/[C@@]56[C@@]71[C@]15O[C](/C=C(\O[C@@]58[C@@]9%10/N=C(/[CH]/C(=N/[C@@]%11%12[C@@]%13%14O[C](C)/C=C(/C)\O[C@]%15%16[C@]%17%18/N=C(\C)/[CH]/C(=N/[C@]%19%20[C@]%21(/N=C(/[CH]/C(=N/[C@]%15%17[C@]%16%18O/C(=C\[C](C)O[C@@]%11%13[C@@]%12%14/N=C(\C)/[CH]/C(=N/[C@@]59[C@@]8%10O/C(=C\[C](O[C@]671)C)/C)/C)/C)/C)\C)[C@@]%19(OC(=[CH])C)[C@]%20%21OC(=[CH])C)/C)/C)\C)/C)C)/C)[C@@]12O/C(=C\[C](C)O[C@@]25[C@@]6(O[C](C)/C=C(/C)\O[C@@]341)[C@]12/N=C(\C)/[CH]/C(=N/[C@]23[C@]4(/N=C(/[CH]/C(=N/[C@]561)/C)\C)[C@@]2(O[C]C)[C@]34O[C]C)/C)/C)/C)\C N\1=C(/[CH]/C(=N/[C@]23[C@]4(/N=C(\C)/[CH]/C(=N/[C@@]56[C@@]71[C@]15O[C](/C=C(\O[C@@]58[C@@]9%10/N=C(/[CH]/C(=N/[C@@]%11%12[C@@]%13(O[C]C)[C@]%11(O[C]C)[C@@]%12%13/N=C(/C)\[CH]/C(=N\[C@@]59[C@@]8%10O/C(=C\[C](O[C@]671)C)/C)/C)/C)\C)/C)C)/C)[C@@]2(OC(=[CH])C)[C@]34OC(=[CH])C)/C)\C [C@@]123O[C](C)/C=C(/C)\O[C@@]45[C@@]6(O/C(=C\[C](C)O[C@@]71[C@@]12/N=C(\C)/[CH]/C(=N/[C@@]28[C@@]9%10/N=C(\C)/[CH]/C(=N/[C@@]%11%12[C@@]%13(OC(=[CH])C)[C@]%11(OC(=[CH])C)[C@@]%12%13/N=C(/[CH]/C(=N/[C@@]29[C@@]8%10/N=C(/[CH]/C(=N/[C@@]371)/C)\C)/C)\C)/C)/C)/C)[C@]14O/C(=C\[C](O[C@]23[C@]4(O[C](/C=C(\O[C@]561)/C)C)[C@@]12/N=C(/[CH]/C(=N/[C@@]25[C@@]6(/N=C(\C)/[CH]/C(=N/[C@@]341)/C)[C@]12/N=C(/[CH]/C(=N/[C@]23[C@]47O[C](C)/C=C(/C)\O[C@@]89[C@@]%10(O/C(=C\[C](C)O[C@]24[C@]37/N=C(\C)/[CH]/C(=N/[C@]561)/C)/C)[C@]8(O[C]C)[C@@]9%10O[C]C)/C)\C)/C)\C)C)/C [C@@]123O[C](C)/C=C(/C)\O[C@@]45[C@@]6(O/C(=C\[C](C)O[C@@]71[C@@]2(/N=[C]\C)[C@]37/N=[C]\C)/C)[C@]14O/C(=C\[C](O[C@]23[C@]4(O[C](/C=C(\O[C@]561)/C)C)[C@@]12/N=C(/[CH]/C(=N/[C@@]25[C@@]6(/N=C(\C)/[CH]/C(=N/[C@@]341)/C)[C@]2(/N=C(/[CH])\C)[C@@]56/N=C(/[CH])\C)/C)\C)C)/C [Cl] O=C([O])c1c[c]cc(C(=O)[O])c1.[CH2].[H].[H].[H].[H] O=C([O])c1cc(cc(c1)C)C(=O)[O] [O]C(=O)c1c[c]cc(C(=O)[O])c1.[CH2].[H].[H].[H].[H] [O]C(=O)c1cc(cc(c1)C)C(=O)[O] C(=O)(c1c(cc(c(C(=O)[O])n1)C(=O)[O])C(=O)[O])[O] C(=O)(c1cc2ccc(cc2cc1)C(=O)[O])[O] C(=O)(c1ccc2cc(ccc2c1)C(=O)[O])[O] C1N2CN3CN1CN(C2)C3 C(=O)(c1ccc(cc1)/C=C/c1ccc(C(=O)[O])cc1)[O] C(=O)([C@@H]1C[C@H](C(=O)[O])[C@H](C(=O)[O])[C@@H]1C(=O)[O])[O] C(=O)([O])[C@H]1C[C@@H](C(=O)[O])[C@@H](C(=O)[O])[C@H]1C(=O)[O] n1ccc(/C=C/c2ccncc2)cc1 C(=O)([C@@H]1[C@H](C(=O)[O])C[C@H](C(=O)[O])[C@@H]1C(=O)[O])[O] C(=O)([C@H]1[C@@H](C(=O)[O])C[C@@H](C(=O)[O])[C@H]1C(=O)[O])[O] c1cc(ccn1)[N][N]c1ccncc1 O=C([O])[C@@H]1[C@H](C(=O)[O])[C@H](C(=O)[O])[C@H](C(=O)[O])C1 [O]C(=O)[C@H]1[C@@H](C(=O)[O])[C@@H](C(=O)[O])[C@@H](C(=O)[O])C1 n1ccc(c2ccc(c3ccncc3)cc2)cc1 C(=O)([C@@H]1C[C@H](C(=O)[O])[C@H](C(=O)[O])[C@@H]1C(=O)[O])[O] C(=O)([C@H]1C[C@@H](C(=O)[O])[C@@H](C(=O)[O])[C@H]1C(=O)[O])[O] c1cn(cn1)c1ccc(cc1)n1ccnc1 C(=O)(c1c(C(=O)[O])cc(C(=O)[O])c(C(=O)[O])n1)[O] c1cc(ccn1)/C=C/c1ccc(cc1)C(=O)[O] C(=O)(c1c(C(=O)[O])cc(C(=O)[O])c(C(=O)[O])n1)[O] C(=O)(c1ccc(cc1)/C=C/c1ccncc1)[O] c1ccccn1 [C](c1ccc(cc1)C(=O)[O])([C](c1ccc(cc1)C(=O)[O])OC)OC [C](c1ccc(cc1)C(=O)[O])([C](c1ccc(cc1)C(=O)[O])O[C])O[C] [C@@H]1(CC[C@H](CC1)C(=O)[O])C(=O)[O] [C@H]1(CC[C@@H](CC1)C(=O)[O])C(=O)[O] [C@H]1(CC[C@H](CC1)C(=O)[O])C(=O)[O] c1nc(c2c(n1)[n][c]n2)N c1nc(c2c(n1)[n]cn2)N [C@@H](c1ccc(cc1)C(=O)[O])([C@@H](c1ccc(cc1)C(=O)[O])OC)OC C(=O)(c1c(c(c(c(c1F)F)C(=O)[O])F)F)[O] [OH] C(=O)(c1ccc(cc1)/C=C/c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)/C=C\c1ccc(C(=O)[O])cc1)[O] C(=O)(c1cc(cc(C(=O)[O])c1)n1c(=O)c2ccc3c(=O)n(c(=O)c4ccc(c1=O)c2c34)c1cc(C(=O)[O])cc(C(=O)[O])c1)[O] C(=O)(c1cc(cc(C(=O)[O])c1)n1c(=O)c2ccc3c(=O)n(c(=O)c4ccc(c1=O)c2c34)c1cc(C(=O)[O])cc(C(=O)[O])c1)[O] C(=O)(c1c(c(F)c(C(=O)[O])c(c1F)F)F)[O] C(=O)(c1c(c(c(c(c1F)F)C(=O)[O])F)F)[O] [OH] O=C([O])c1c(c2c(C(=O)[O])cc(cc2)C(=O)[O])cc(c(c2c(C(=O)[O])cc(cc2)C(=O)[O])c1)C(=O)[O] [O]C(=O)c1c(c2c(C(=O)[O])cc(cc2)C(=O)[O])cc(c(c2c(C(=O)[O])cc(cc2)C(=O)[O])c1)C(=O)[O] n1ccn(c1)CCCCn1cncc1 n1cn(CCCCn2cncc2)cc1 n1cn(cc1)CCCCn1cncc1 c1(ccc(cc1)c1cc(cc(c2ccc(cc2)C(=O)[O])c1)c1cc(C(=O)[O])cc(C(=O)[O])c1)C(=O)[O] c1(ccc(cc1)c1cc(cc(c2ccc(cc2)C(=O)[O])c1)c1cc(C(=O)[O])cc(c1)C(=O)[O])C(=O)[O] C(=O)(c1ccc(cc1)c1cc(cc(c2ccc(C(=O)[O])cc2)c1)C(=O)[O])[O] c1c(c2ccc(cc2)C(=O)[O])cc(cc1C(=O)[O])c1ccc(cc1)C(=O)[O] [I] c1cc(ccn1)c1ccc(cc1)c1ccc(cc1)c1ccncc1 [O] c1(c(cc(cc1)C(=O)[O])N(=O)=O)c1c(cc(cc1)C(=O)[O])N(=O)=O c1(c(cc(cc1)C(=O)[O])N(=O)=O)c1c(cc(cc1)C(=O)[O])N([O])[O] c1cc(ccn1)CCCc1ccncc1 C(c1ccccc1)[N]C(=O)c1cncc(C(=O)[N]Cc2c[c]ccc2)n1 C(c1ccccc1)[N]C(=O)c1cncc(C(=O)[N]Cc2ccccc2)n1 c1c(C(=O)[CH]C(=O)C(F)(F)F)ccc(c1)c1ccncc1 O=[C]c1c[c]cc([C]=O)c1.[C@@]12([CH][C@@H]3[C]4[C@@]([O])([C]([C]4[C@@H]3[CH][C]1[C]([O])[C]2[O])[O])[N])[C].[C]12[C@H]3[CH][C@]4([C]([C]([O])[C]4[O])[CH][C@H]3[C]2[C]([C@@]1([O])[N])[O])[C].[O]C(=O)c1c[c]cc(C(=O)[O])c1 O=[C]c1c[c]cc([C]=O)c1.[C]12[CH][C@@H]3[C]4[C@@]([O])([C]([C]4[C@@H]3[CH][C@]1([C]([O])[C]2[O])[C])[O])[N].[C]12[C@H]3[CH][C@]4([C]([C]([O])[C]4[O])[CH][C@H]3[C]2[C]([C@@]1([O])[N])[O])[C].[O]C(=O)c1c[c]cc(C(=O)[O])c1 [O]C(=O)c1cc(C(=O)[O])cc(c1)n1c(=O)c2c3c(ccc4c3c(cc2)c(=O)n(c2cc(cc([C][O])c2)[C][O])c4=O)c1=O [O][C]c1cc([C][O])cc(c1)n1c(=O)c2c3c(ccc4c3c(cc2)c(=O)n(c2cc(cc(C(=O)[O])c2)C(=O)[O])c4=O)c1=O O=C([O])c1cc(cc(c1)C(=O)[O])c1cc(C(=O)O)c(cc1c1cc(C(=O)[O])cc(c1)C(=O)[O])C(=O)[O] O=C([O])c1cc(cc(c1)C(=O)[O])c1cc(C(=O)[O])c(cc1c1cc(C(=O)[O])cc(c1)C(=O)[O])C(=O)O [O]C(=O)c1cc(cc(c1)C(=O)[O])c1cc(C(=O)O)c(cc1c1cc(C(=O)[O])cc(c1)C(=O)[O])C(=O)[O] [O]C(=O)c1cc(cc(c1)C(=O)[O])c1cc(C(=O)[O])c(cc1c1cc(C(=O)[O])cc(c1)C(=O)[O])C(=O)O c1(ccc(C(=O)[O])s1)C(=O)[O] C(=O)(c1ccc(cc1)c1ccc(cc1)c1cc(cc(c1)C(=O)[O])C(=O)[O])[O] C(=O)([C@@]12[C@@H]3[CH][C@@H]4[C@@](C(=O)[O])([C@@H]4[CH][C@H]13)[CH]2)[O] C(=O)([C@]12[C@H]3[CH][C@H]4[C@](C(=O)[O])([C@H]4[CH][C@@H]13)[CH]2)[O] C(=O)(c1cc(ccc1)C(=O)[O])[O] c1cc(ccn1)CCCc1ccncc1 C(=O)(c1cc(cc(c1)c1ccc(cc1)c1ccc(cc1)C(=O)[O])C(=O)[O])[O] C(=O)(c1cc(cc(c1)c1ccc(cc1)c1ccc(cc1)C(=O)[O])C(=O)[O])[O] [O]C(=O)c1c(O)cc(C(=O)[O])c(O)c1 n1ccn([B](n2ccnc2)(n2cncc2)n2cncc2)c1 C(=O)(c1cc(cc(c1)c1ccc(cc1)C(=O)[O])C(=O)[O])[O] c1(cc(cc(c1)OCC(=O)[O])C(=O)[O])C(=O)[O] C(=O)(c1cc(cc(c1)C(=O)[O])c1ccc(cc1)c1ccc(cc1)c1ccc(C(=O)[O])cc1)[O] C(=O)(c1cc(cc(c1)C(=O)[O])c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)[O])[O] C(=O)(C(=O)[O])[O] O C(=O)(c1cc(cc(c1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)[O])C(=O)[O])[O] C(=O)(C(=O)[O])[O] O O=C([O])c1c(C(=O)[O])cc(c(c1)C(=O)[O])C(=O)[O] [O]C(=O)c1c(C(=O)[O])cc(c(c1)C(=O)[O])C(=O)[O] O=O [O] [P] n1ccncc1 c1nncn1c1ccc(cc1)C(=O)[O] c1(c(cc(c(c1)C(=O)[O])C(=O)[O])C(=O)[O])C(=O)[O] [C]#N c1cnccn1 n1ccncc1 [C]#N c1cccnn1 O=C([O])c1cc([O])c(c(c1)[O])c1c(cc(cc1[O])C(=O)[O])[O].[C].[C].[C].[C] [O]C(=O)c1cc([O])c(c(c1)[O])c1c(cc(cc1[O])C(=O)[O])[O].[C].[C].[C].[C] [CH2]C.C[CH2].[CH2]C.[CH2]C.C[CH2].[CH2]C.[N].[N] [H] C(=O)(CC(=O)[O])[O] C(=O)([CH]C(=O)[O])[O] [S]OOO[C][CH][C](O[C]CO)[CH].S([O])([O])([O])c1ccc([C@@]23C[C@@]4(C[C@@](C[C@](C2)(C4)c2ccc(S([O])([O])[O])cc2)(C3)c2ccc([S]([O])[O])cc2)c2cc[c]cc2)cc1.O([O])OSO[O].O=O.[OH].O.O(O[O])OOO[O].[O]OOOOO[O].S([O])([O])([O])c1ccc([C@]23C[C@]4(C[C@](C[C@@](C2)(C4)c2ccc(S([O])([O])[O])cc2)(C3)c2ccc([S]([O])[O])cc2)c2cc[c]cc2)cc1.OC[C]O[C]([CH])[CH][C].[OH].O.[H].[H] C(=O)([C]C(=O)[O])[O] C(=O)([O])[C]C(=O)[O] C1N2CN3CN(C2)CN1C3 c1(cccc2c(cccc12)S([O])([O])[O])S([O])([O])[O] O=C([O])c1cc(C(=O)[O])cc(C(=O)[O])c1 [O]C(=O)c1cc(C(=O)[O])cc(C(=O)[O])c1 n1(cncc1)[B](n1ccnc1)(n1cncc1)n1ccnc1 n1ccn(c1)[B](n1cncc1)(n1cncc1)n1cncc1 C(=O)(c1cc(c(cc1)C(=O)[O])[O])[O] N([C])([C][C]N([C])[C]O[O])[C]O[O] c1(c(c(O)c(c(c1O)C(=O)[O])O)C(=O)[O])O C(=O)(c1ccc(cc1)c1nc(c2ccc(C(=O)[O])cc2)cc(c1)c1ccncc1)[O] n1cc([nH]n1)c1cc(c2[nH]nnc2)cc([C]2NN=NN2)c1 O=C([O])c1ccc(OCc2c(c(COc3ccc(C(=O)[O])cc3)c(c(COc3ccc(cc3)C(=O)O)c2C)C)C)cc1 O=C([O])c1ccc(OCc2c(c(COc3ccc(C(=O)[O])cc3)c(c(c2C)COc2ccc(cc2)C(=O)O)C)C)cc1 [O]C(=O)c1ccc(OCc2c(c(COc3ccc(C(=O)[O])cc3)c(c(COc3ccc(cc3)C(=O)O)c2C)C)C)cc1 [O]C(=O)c1ccc(OCc2c(c(COc3ccc(C(=O)[O])cc3)c(c(c2C)COc2ccc(cc2)C(=O)O)C)C)cc1 n1ccc(/C=C/c2ccncc2)cc1 n1ccc(cc1)/C=C/c1ccncc1 O=[C][O].[C][CH][C].[CH][CH]C1([CH][CH])[C][N@@]23[C@@]45[C@@]67[C@]8([O])[C]([C@]96[C@]5([C@@]([C]4[O])([O])O8)[N@@]45[C@@]68[C@]%10([C]([O])[C@@]%11([C@]%10([C@]28[C]([C@@]6([O])O%11)[O])[N@@]137)[O])[N@@]94[C]C5([CH][CH])[CH][CH])[O].[O][C]=O.[C][CH][C].[O][C]=O.O=[C][O] N#[C] [N@@]123[C@@]45[C@@]67[C@]89[C@@]%10%11[C@@]1([C@]24[C@@]68%10)[C@@]35[C@]79%11.[C]#[C].[N@]123[C@@]45[C@@]67[C@@]89[C@@]%10%11[C@@]1([C@]24[C@@]68%10)[C@@]35[C@]79%11 [N]1[N][C][N][N]1.[CH].[N]1[N][C][N][N]1.[CH].[N]1[N][C][N][N]1.[CH].[CH].[CH].[CH].c1[c]c[c]c[c]1 O=C([O])[C][C][C@@H]([CH])[C@]1([C@@H]([CH])[C][C]C(=O)[O])[C][N@]23[C@@]45[C@]67[C@@]89OO[C@]59[C@@]59[C@@]8([C@@]86[C@@]45[N@]45[C@]6%10[C@]%11([C@]%12([C@@]2%10[C@@]2%10[C@]%136OO[C@@]%11%13[C@@]%122OO%10)[N@]137)[N@]84[C][C@]5([C@H]([CH])[C][C]C(=O)[O])[C@@H]([CH])[C][C]C(=O)[O])OO9.[CH][C].[CH][C].[H].[H] [O] [n]1cc(cn1)c1cc(c2c[n]nc2)cc(c2c[n]nc2)c1 C(=O)(c1cnccn1)[O] c1(C(=O)[O])cnccn1 c1cnc(cn1)C(=O)[O] c1cncc(C(=O)[O])n1 C(=O)(c1cnccn1)[O] c1cnc(C(=O)[O])cn1 c1cncc(C(=O)[O])n1 O=C([O])c1n[n]nn1 [O]C(=O)c1n[n]nn1 n1ccc(cc1)CCCc1ccncc1 [O]C(=O)c1cc([O])c(C(=O)[O])cc1[O] [O]C(=O)c1cc([O])c(C(=O)[O])cc1[O] O=C([O])c1n[n]nn1 [O]C(=O)c1n[n]nn1 n1ccc(cc1)CCCc1ccncc1 n1c(C(=O)[O])ccc(c1)c1cc(C(=O)[O])cc(C(=O)[O])c1 O=C([O])c1n[n]nn1 [O]C(=O)c1n[n]nn1 n1ccc(cc1)CCCc1ccncc1 [O]C(=O)c1cc([O])c(C(=O)[O])cc1[O] n1cc([nH]n1)c1ccc(cc1)c1cnn[nH]1 n1cc([nH]n1)c1ccc(cc1)c1cnn[nH]1 n1cc([nH]n1)c1ccc(cc1)c1cnn[nH]1 C(=O)(c1cc(C(=O)[O])cc(C(=O)[O])c1)[O] c12ccccc2nn[n]1 [F] [O] c1cnccn1 O=C([O])c1cc[c]cc1.[C]1=[C][C][CH]C#C[CH][C]1.[CH][CH][C@@H]([CH])[NH]1[N]N2N[CH][C]2[C][CH]1.[CH][CH][CH][CH].[H].[H] O=C([O])c1cc[c]cc1.[N]([CH][CH][CH][CH])[C@@H]1[CH][CH][C@@H]1[C] O=C([O])c1cc[c]cc1.[N]([CH][CH][CH][CH])[C@H]1[CH][CH][C@H]1[C] O=C[O] [CH3] [O].C.[H].[H] [O]C(=O)c1cc[c]cc1.[C]1=[C][C][CH]C#C[CH][C]1.[CH][CH][C@@H]([CH])[NH]1[N]N2N[CH][C]2[C][CH]1.[CH][CH][CH][CH].[H].[H] [O]C(=O)c1cc[c]cc1.[N]([CH][CH][CH][CH])[C@@H]1[CH][CH][C@@H]1[C] [O]C(=O)c1cc[c]cc1.[N]([CH][CH][CH][CH])[C@H]1[CH][CH][C@H]1[C] [O]C=O s1c(C(=O)[O])ccc1C(=O)[O] [F] [O] c1cnccn1 [F] [O] c1cnccn1 c1(ccncc1)[CH][N][N]/C=C(/[CH])\C=[CH] c1(ccncc1)[CH][N][N][CH]c1ccncc1 c1c(ccnc1)[CH][N][N][CH]c1ccncc1 n1ccc(cc1)[CH][N][N]/C=C(/[CH])\C=[CH] c1(cc(ccc1)n1cnnc1)n1cnnc1 c1(cccc(c1)n1cnnc1)n1cnnc1 c1cc(C(=O)[O])ccc1OCC(COc1ccc(cc1)C(=O)[O])(COc1ccc(C(=O)[O])cc1)COc1ccc(cc1)C(=O)[O] n1ccc([C]([N]/N=C(/c2ccncc2)\C)C)cc1 C(C(COc1ccc(cc1)C(=O)[O])(COc1ccc(C(=O)[O])cc1)COc1ccc(C(=O)[O])cc1)Oc1ccc(C(=O)[O])cc1 C(COc1ccc(C(=O)[O])cc1)(COc1ccc(C(=O)[O])cc1)(COc1ccc(cc1)C(=O)[O])COc1ccc(C(=O)[O])cc1 C(COc1ccc(C(=O)[O])cc1)(COc1ccc(cc1)C(=O)[O])(COc1ccc(cc1)C(=O)[O])COc1ccc(C(=O)[O])cc1 C(=O)(c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)Oc1ccc(cc1)C(=O)[N]c1ccncc1)[N] c1cc(C(=O)[O])ccc1C(=O)[O] C(=O)(c1ccc(C(=O)[O])cc1)[O] c1cc(C(=O)[O])ccc1C(=O)[O] c1cc(ccn1)NC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)Nc1ccncc1 C(=O)(c1ccc(C(=O)[O])cc1)[O] C(=O)(c1ccc(cc1)Oc1ccc(cc1)C(=O)[N]c1ccncc1)[N] c1cc(C(=O)[O])ccc1C(=O)[O] P(=O)([O])[O] P(=O)([O])[O] C(=O)(c1ccc(cc1)C(=O)[O])[O] P(=O)([O])[O] O(c1ccc(cc1)C(=O)[O])Cc1c(c(c(c(c1C)COc1ccc(C(=O)[O])cc1)C)COc1cc[c]cc1)C [N](C)C c1c(C(=O)[O])c(c(C(=O)[O])c(C(=O)[O])c1)C(=O)[O] c1c(cccn1)[C](N)[CH]C(=O)[O] C(=O)([C@@H]1C=CN(C=C1)CCCN1C=C[C@@H](C=C1)C(=O)[O])[O] C(=O)([C@H]1C=CN(C=C1)CCCN1C=C[C@H](C=C1)C(=O)[O])[O] [N][N][N] [C@H](c1cccnc1)(CC(=O)[O])N O=C([O])CCn1c(=O)n(c(=O)n(c1=O)CCC(=O)[O])CCC(=O)[O] [H] [O]C(=O)CCn1c(=O)n(c(=O)n(c1=O)CCC(=O)[O])CCC(=O)[O] C(=O)(c1c(C(=O)[O])c(C(=O)[O])c(C(=O)[O])cc1)[O] [OH] c1cc(c2ccncc2)ccn1 O O=C([O])[C@H]1[C@H](C(=O)O)C[C@@H]([C@H](C1)C(=O)O)C(=O)[O] [O]C(=O)[C@H]1[C@H](C(=O)O)C[C@@H]([C@H](C1)C(=O)O)C(=O)[O] c1cc(ccn1)c1ccncc1 n1cccnc1c1ncccn1.[O].[O].[O].[O] c1ncccc1[C@@H](CC(=O)[O])[NH3] c1ncccc1[C@H](CC(=O)[O])[NH3] n1cc([C@@H](CC(=O)[O])N)ccc1 n1cc([C@H](CC(=O)[O])N)ccc1 O=C([O])c1cc(c2nnn[n]2)cc(C(=O)[O])c1 [O]C(=O)c1cc(c2nnn[n]2)cc(C(=O)[O])c1 O=C(c1cc(cc(C(=O)[O])c1)c1nnn[n]1)[O] [H] [O]C(=O)c1cc(cc(C(=O)[O])c1)c1nnn[n]1 n1nn[n]c1c1cc(cc(c1)C(=O)[O])C(=O)[O] O=C([O])[C@@]12C[C@H]3C[C@@H](C1)C[C@@](C(=O)[O])(C2)C3 O=C([O])[C@]12C[C@@H]3C[C@H](C1)C[C@](C(=O)[O])(C2)C3 [O]C(=O)[C@@]12C[C@H]3C[C@@H](C1)C[C@@](C(=O)[O])(C2)C3 [O]C(=O)[C@]12C[C@@H]3C[C@H](C1)C[C@](C(=O)[O])(C2)C3 n1cc[c]cc1.[N](C[CH2])C[CH2].[CH2][CH].n1cc[c]cc1.[N](C[CH2])C[CH2].[CH2][CH].[H].[H] n1ccc(cc1)CN1CCN(Cc2ccncc2)CC1 n1(c2cc(n3cncc3)cc(c2)C(=O)[O])cncc1 O=C([O])c1ccc(c2ccc(N(c3ccc(c4ccc(C(=O)[O])cc4)cc3)c3ccc(c4ccc(C(=O)[O])cc4)cc3)cc2)cc1 O=C([O])c1ccc(cc1)c1ccc(N(c2ccc(c3ccc(C(=O)[O])cc3)cc2)c2ccc(c3ccc(cc3)C(=O)[O])cc2)cc1 [O]C(=O)c1ccc(c2ccc(N(c3ccc(c4ccc(C(=O)[O])cc4)cc3)c3ccc(c4ccc(C(=O)[O])cc4)cc3)cc2)cc1 [O]C(=O)c1ccc(cc1)c1ccc(N(c2ccc(c3ccc(C(=O)[O])cc3)cc2)c2ccc(c3ccc(cc3)C(=O)[O])cc2)cc1 n1(c(c2ccncc2)nnc1c1ccncc1)N O=C(c1cc(c2nc3c(c(c2)C(=O)[O])cccc3)nc2ccccc12)[O] O=C(c1cc(nc2c1cccc2)c1cc(C(=O)[O])c2c(n1)cccc2)[O] [O]C(=O)c1cc(c2nc3c(c(c2)C(=O)[O])cccc3)nc2ccccc12 [O]C(=O)c1cc(nc2c1cccc2)c1cc(C(=O)[O])c2c(n1)cccc2 [O][O] O=C([O])c1c(c2cc(ccc2)C(=O)[O])cc(C(=O)[O])c(c1)c1cc(ccc1)C(=O)[O] [H] [O]C(=O)c1c(c2cc(ccc2)C(=O)[O])cc(C(=O)[O])c(c1)/C(=C/[C]C(=O)[O])/[C] O=C([O])CCn1c(=O)n(CCC(=O)[O])c(=O)n(CCC(=O)[O])c1=O [O]C(=O)CCn1c(=O)n(CCC(=O)[O])c(=O)n(CCC(=O)[O])c1=O n1ccn(c2cc(n3cncc3)cc(c2)C(=O)[O])c1 O=C([O])c1[c][c]c([c][c]1)C(=O)[O] [O] O=C([O])c1ccc(cc1)/C(=C\C=C(\c1ccccc1)/c1ccc(cc1)C(=O)[O])/c1ccccc1 [O]C(=O)c1ccc(cc1)/C(=C\C=C(\c1ccccc1)/c1ccc(cc1)C(=O)[O])/c1ccccc1 [O]C(=O)c1cc(cc(C(=O)[O])c1)[Si](c1cc(C(=O)[O])cc(c1)C(=O)[O])(C)C O=C([O])c1cc(c2ccc(cc2)C(=O)[O])c(c(c2ccc(cc2)C(=O)[O])c1)N O=C([O])c1ccc(c2cc(cc(c3ccc(cc3)C(=O)[O])c2N)C(=O)[O])cc1 [O]C(=O)c1ccc(c2cc(cc(c3ccc(cc3)C(=O)[O])c2N)C(=O)[O])cc1 [n]1cc(c2cc(c3c[n]nn3)cc(c3c[n]nn3)c2)nn1 [n]1nc(cn1)c1cc(c2n[n]nc2)cc(c2n[n]nc2)c1 O=C([O])c1cc(C(=O)[O])cc([N][N]c2cc(C(=O)[O])cc(c2)C(=O)[O])c1 O=C([O])c1cc(C(=O)[O])cc([N][N]c2cc(cc(C(=O)[O])c2)C(=O)[O])c1 [O]C(=O)c1cc(C(=O)[O])cc([N][N]c2cc(C(=O)[O])cc(c2)C(=O)[O])c1 [n]1ncc(n1)c1cc(c2n[n]nc2)cc(c2n[n]nc2)c1 O1OO1.O=O O=C([O])c1cc(c2ccc(C(=O)[O])cc2)c(c(c2ccc(C(=O)[O])cc2)c1)N O=C([O])c1ccc(c2cc(cc(c3ccc(C(=O)[O])cc3)c2N)C(=O)[O])cc1 O=O.O1OO1 [O]C(=O)c1cc(c2ccc(C(=O)[O])cc2)c(c(c2ccc(C(=O)[O])cc2)c1)N [O]C(=O)c1ccc(c2cc(cc(c3ccc(C(=O)[O])cc3)c2N)C(=O)[O])cc1 [n]1cc[n]cc1 c1(cc(c(cc1C(=O)[O])C(=O)[O])C(=O)[O])C(=O)[O] c1(nnn[n]1)CN1C=C[C@@H](C=C1)[C@H]1C=CN(C=C1)Cc1nnn[n]1 c1(nnn[n]1)CN1C=C[C@H](C=C1)[C@@H]1C=CN(C=C1)Cc1nnn[n]1 [n]1nnc(c1)c1cc(c2nn[n]c2)cc(c2nn[n]c2)c1 c1(c(cc(c(c1)C(=O)[O])C(=O)[O])C(=O)[O])C(=O)[O] O=C([O])c1ccc(c2nc(c3ccc(cc3)C(=O)[O])cc(c2)c2ccncc2)cc1 O=C([O])c1ccc(c2nc(cc(c2)c2ccncc2)c2ccc(cc2)C(=O)[O])cc1 O=C([O])c1ccc(cc1)c1nc(cc(c2ccncc2)c1)c1ccc(C(=O)[O])cc1 [O]C(=O)c1ccc(c2nc(c3ccc(cc3)C(=O)[O])cc(c2)c2ccncc2)cc1 [O]C(=O)c1ccc(c2nc(cc(c2)c2ccncc2)c2ccc(cc2)C(=O)[O])cc1 [O]C(=O)c1ccc(cc1)c1nc(cc(c2ccncc2)c1)c1ccc(C(=O)[O])cc1 n1nc[n]c1 [n]1ncc(c2cc(c3[nH]nnc3)cc(c3[nH]nnc3)c2)c1 O1C2(OO2)O1.O1C2(OO2)O1.O1/C/2=[C]\C=C/[C]3[N]4(c5cc[c]cc5)[C](/C=C\[C]=C/5\OO[C](OO5)[C]/C=C\[C]([CH2])[C]5[N@@]6([C])[C](/C=C\[C]=C/7\OO[C](OO7)[C]/C=C\[C]3[CH2])[C@]6([CH2])/C=C\[C][C]3OO/C(=[C]\C=C/[C]([N]6(c7cc[c]cc7)[C](/C=C\[C]=[C]\O[O])[C@@]6([CH2])/C=C\[C][C]6OO/C(=[C]\C=C/5)/OO6)[C]([CH2])/C=C\[C]=[C]\O[O])/OO3)[C@@]4([CH2])/C=C\[C][C]3OO/C(=[C]\C=C/[C]([N@@]4([C])[C](/C=C\[C]=[C]\O[O])[C@]4([CH2])/C=C\[C][C](O1)OO2)[C]([CH2])/C=C\[C]=[C]\O[O])/OO3.[CH].[CH].[CH].[CH].[C].[C].[C].[C].[CH].[CH].[CH].[CH].[C].[C].[C].[C].[H].[H].[H].[H].[H].[H].[H].[H] [O][O] C(=O)(c1cc(cc(C(=O)[O])c1)c1cc(cc(c2cc(C(=O)[O])cc(C(=O)[O])c2)c1N)F)[O] O=C([O])C [O]C(=O)C n1c(cccc1)/C=N/[N]C(=O)c1cc(cnc1)C(=O)[N]/N=C/c1ncccc1 C(=O)(c1cc(cc(C(=O)[O])c1)C1=CC(C=C(c2cc(C(=O)[O])cc(C(=O)[O])c2)[C]1N)(F)F)[O] [O]C(=O)c1ccccc1c1c(C(=O)[O])cccc1 n1ccn(c2cc(n3cncc3)cc(n3cncc3)c2)c1 n1cn(c2cc(n3ccnc3)cc(n3cncc3)c2)cc1 c1cn(cn1)Cc1ccc(Cn2cncc2)cc1 c1nccn1Cc1ccc(Cn2cncc2)cc1 n1ccc(cc1)c1ccncc1 n1ccc(cc1)c1ccncc1 O=C([O])[C] [O]C(=O)[C] [O][C]=O C(=O)[O] C(=O)[O] O=C[O] [O]C=O C(=O)[O] C(=O)[O] C(=O)[O] C(=O)[O] P([C]N1CC[C](CC1)[C]1CCN([C][P@@](=O)(O)[O])CC1)(O)[O] [P@@](=O)([C]N1CC[C](CC1)[C]1CCN([C])CC1)(O)[O] [P@@](=O)([C]N1CC[C](CC1)[C]1CCN([C][P@](=O)(O)[O])CC1)(O)[O] O=C([O])c1ccc(c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2cc(cc(c2)c2ccc(C(=O)[O])cc2)c2ccc(cc2)C(=O)[O])cc1 [O]C(=O)c1ccc(c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2cc(cc(c2)c2ccc(C(=O)[O])cc2)c2ccc(cc2)C(=O)[O])cc1 O=S(=O)([O])[O] [O]S(=O)(=O)[O] c1c(cc(cn1)C(=O)[O])C(=O)[O] P(=O)([O])[O] O=C([O])c1ccc(cc1)C1=[N]=C(N=C([N]1)c1ccc(cc1)C(=O)[O])c1ccc(cc1)C(=O)[O] [O]C(=O)c1ccc(cc1)C1=[N]=C(N=C([N]1)c1ccc(cc1)C(=O)[O])c1ccc(cc1)C(=O)[O] O=C([O])c1ccc(c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2cc(c[c]c2)c2ccc(cc2)C(=O)[O])cc1.O=[C][O].[C@@]123[C@@H]4[CH][C@H]([C][C@H]5[C@@H]1[C@@H]3[CH]5)[C@H]24 O=C([O])c1ccc(c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2cc(c[c]c2)c2ccc(cc2)C(=O)[O])cc1.O=[C][O].[C@]123[C@H]4[CH][C@@H]([C][C@@H]5[C@H]1[C@H]3[CH]5)[C@@H]24 [O]C(=O)c1ccc(c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2cc(c[c]c2)c2ccc(cc2)C(=O)[O])cc1.[O][C]=O.[C@@]123[C@@H]4[CH][C@H]([C][C@H]5[C@@H]1[C@@H]3[CH]5)[C@H]24 [O]C(=O)c1ccc(c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2cc(c[c]c2)c2ccc(cc2)C(=O)[O])cc1.[O][C]=O.[C@]123[C@H]4[CH][C@@H]([C][C@@H]5[C@H]1[C@H]3[CH]5)[C@@H]24 C(=O)(c1ccc(cc1)C(=O)O)[O] c1(C)nnc(C)[n]1 C(=O)(c1ccc(cc1)C(=O)O)[O] c1(C)nnc(C)[n]1 [O]Cc1nccc(c1)C(=O)[O] O=C([O])c1cc(ccc1C(=O)[O])C(=O)c1cc(c(cc1)C(=O)[O])C(=O)[O] [O]C(=O)c1cc(ccc1C(=O)[O])C(=O)c1cc(c(cc1)C(=O)[O])C(=O)[O] O=C([O])c1ccc(c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2cc(c[c]c2)c2ccc(cc2)C(=O)[O])cc1.O=[C][O].[C@@]123[C@@H]4[C@@H]5[C@@]6([C@H]7[C@@H]1[C@@H]3[C@@H]67)[C@@H]5[C@H]24 O=C([O])c1ccc(c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2cc(c[c]c2)c2ccc(cc2)C(=O)[O])cc1.O=[C][O].[C@]123[C@H]4[C@H]5[C@]6([C@@H]7[C@H]1[C@H]3[C@H]67)[C@H]5[C@@H]24 [O]C(=O)c1ccc(c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2cc(c[c]c2)c2ccc(cc2)C(=O)[O])cc1.O=[C][O].[C@@]123[C@@H]4[C@@H]5[C@@]6([C@H]7[C@@H]1[C@@H]3[C@@H]67)[C@@H]5[C@H]24 [O]C(=O)c1ccc(c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2cc(c[c]c2)c2ccc(cc2)C(=O)[O])cc1.O=[C][O].[C@]123[C@H]4[C@H]5[C@]6([C@@H]7[C@H]1[C@H]3[C@H]67)[C@H]5[C@@H]24 O(c1cc(c(cc1)[C]=O)C(=O)[O])c1cc(cc(c1)C(=O)[O])C(=O)[O] O=O O(c1cc(c(cc1)[C]=O)C(=O)[O])c1cc(cc(c1)C(=O)[O])C(=O)[O] [O][O] O(c1cc(c(cc1)[C]=O)C(=O)[O])c1cc(cc(c1)C(=O)[O])C(=O)[O] O(c1cc(c(cc1)C(=O)[O])C(=O)[O])c1cc(cc(c1)C(=O)[O])C(=O)[O] O1[C@@H]2O[C@@H]12 n1ccc(cc1)c1nnc(n1c1ncccc1)c1ccncc1 O=C([O])c1ccc(c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2ccc(cc2)C(=O)[O])cc1 [O]C(=O)c1ccc(c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2ccc(cc2)C(=O)[O])cc1 O=C([O])c1ccc(c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2ccc(cc2)C(=O)[O])cc1 [O]C(=O)c1ccc(c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2cc(cc(c2)c2ccc(cc2)C(=O)[O])c2ccc(cc2)C(=O)[O])cc1 n1ccc(cc1)c1nnc(n1c1ncccc1)c1ccncc1 n1ccc(cc1)c1nnc(n1c1ncccc1)c1ccncc1 [O]C(=O)c1c[c]cc(C(=O)[O])c1.[C@]12(C(=O)[O])[C@]34[C@]5(C(=O)[O])[C@]61[C@@]17[C@@]8([C@@]3([C@@]1(C(=O)[O])[C@@]267)[C@@]458)C(=O)[O].O=C(c1c[c]cc(C(=O)[O])c1)[O] [O]C(=O)c1c[c]cc(C(=O)[O])c1.[C@]12(C(=O)[O])[C@]34[C@]5(C(=O)[O])[C@]61[C@@]17[C@@]8([C@@]3([C@@]1(C(=O)[O])[C@@]267)[C@]458)C(=O)[O].O=C(c1c[c]cc(C(=O)[O])c1)[O] [O]C(=O)c1c[c]cc(C(=O)[O])c1.[C@]12(C(=O)[O])[C@]34[C@]5(C(=O)[O])[C@]61[C@@]17[C@@]8([C@@]3([C@@]1(C(=O)[O])[C@]267)[C@@]458)C(=O)[O].O=C(c1c[c]cc(C(=O)[O])c1)[O] [O]C(=O)c1c[c]cc(C(=O)[O])c1.[C@]12(C(=O)[O])[C@]34[C@]5(C(=O)[O])[C@]61[C@@]17[C@@]8([C@@]3([C@@]1(C(=O)[O])[C@]267)[C@]458)C(=O)[O].O=C(c1c[c]cc(C(=O)[O])c1)[O] O=C([O])c1ccncc1 [O]C(=O)c1ccncc1 n1ccc(cc1)C(=O)[O] O O=C([O])CCN1CCN(CCCN(CCC(=O)[O])CCN(CCC1)CCC(=O)[O])CCC(=O)[O] [O]C(=O)CCN1CCN(CCCN(CCC(=O)[O])CCN(CCC1)CCC(=O)[O])CCC(=O)[O] O=C([O])c1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)c1ccc(cc1)C(=O)[O])c1ccc(cc1)c1ccc(cc1)C(=O)[O] [O]C(=O)c1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)c1ccc(cc1)C(=O)[O])c1ccc(cc1)c1ccc(cc1)C(=O)[O] c1cc(ccn1)C(=O)[O] C(=O)(c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)C(=O)[O])[O] c1cc(ccn1)COc1ccc(cc1)OC[C]=[CH] c1cc(ccn1)COc1ccc(cc1)OCc1ccncc1 C(=O)([C@@H](C)[NH])[O] C(=O)([C@H](C)[NH])[O] c1cc(ccn1)/C=C/c1ccncc1 [Cl] c1nnc[n]1 C(=O)([C@@H](C)[NH])[O] C(=O)([C@H](C)[NH])[O] c1cc(ccn1)/C=C/c1ccncc1 c1cc(ccn1)/C=C\c1ccncc1 O=C([O])c1cc(cc(c1)c1cc(C(=O)[O])cc(C(=O)[O])c1)c1cc(C(=O)[O])cc(C(=O)[O])c1 [O]C(=O)c1cc(cc(c1)c1cc(C(=O)[O])cc(C(=O)[O])c1)c1cc(C(=O)[O])cc(C(=O)[O])c1 C(=O)(c1cc(cc(c1)C(=O)[O])c1cc(cc(c1N)c1cc(cc(c1)C(=O)[O])C(=O)[O])c1cc(c2cc(C(=O)[O])cc(c2)C(=O)[O])c(c(c1)c1cc(cc(c1)C(=O)[O])C(=O)[O])N)[O] C(=O)([C@@H](C)[NH])[O] C(=O)([C@H](C)[NH])[O] c1cc(ccn1)/C=C/c1ccncc1 c1cc(ccn1)/C=C\c1ccncc1 O=C([O])c1ccc(cc1)c1cc2c3c(c1)C(c1cc(cc4c1N3c1c(cc(cc1C2(C)C)c1ccc(cc1)C(=O)[O])C4(C)C)c1ccc(cc1)C(=O)[O])(C)C [O]C(=O)c1ccc(cc1)c1cc2c3c(c1)C(c1cc(cc4c1N3c1c(cc(cc1C2(C)C)c1ccc(cc1)C(=O)[O])C4(C)C)c1ccc(cc1)C(=O)[O])(C)C C(=O)(c1cc(cc(c1)C(=O)[O])N(N(c1cc(cc(c1)C(=O)[O])C(=O)[O])[O])[O])[O] [O]C(=O)c1cc(C(=O)[O])cc(C(=O)[O])c1 O=C([O])c1cc(C(=O)[O])cc(C(=O)[O])c1 O=C([O])c1cc(cc(c1)c1cc(C(=O)[O])cc(C(=O)[O])c1)c1cc(C(=O)[O])cc(C(=O)[O])c1 [O]C(=O)c1cc(cc(c1)c1cc(C(=O)[O])cc(C(=O)[O])c1)c1cc(C(=O)[O])cc(C(=O)[O])c1 [CH]=C([CH])OCc1ccc(cc1)c1ccc(cc1)COc1cc(cc(c1)C(=O)[O])C(=O)[O] C(=O)(c1cc(cc(c1)OCc1ccc(cc1)c1ccc(CO[C])cc1)C(=O)[O])[O] O=C([O])c1cc(C(=O)[O])cc(c1)c1cc(C(=O)O)c(C(=O)O)cc1c1cc(C(=O)[O])cc(C(=O)[O])c1 [O]C(=O)c1cc(C(=O)[O])cc(c1)c1cc(C(=O)O)c(C(=O)O)cc1c1cc(C(=O)[O])cc(C(=O)[O])c1 O=C([O])c1cc(C(=O)[O])cc(c1)c1c[c][c]cc1c1cc(C(=O)[O])cc(C(=O)[O])c1.O1C([O])(O1)[O].O1C([O])(O1)[O] [O]C(=O)c1cc(C(=O)[O])cc(c1)c1c[c][c]cc1c1cc(C(=O)[O])cc(C(=O)[O])c1.O1C([O])(O1)[O].O1C([O])(O1)[O] O=C([O])c1cncc(C(=O)[O])c1 [O]C(=O)c1cncc(C(=O)[O])c1 [CH]C(=[CH])OCc1ccc(cc1)c1ccc(cc1)COc1cc(cc(c1)C(=O)[O])C(=O)[O] C(=O)(c1cc(C(=O)[O])cnc1)[O] C(=O)(c1cncc(C(=O)[O])c1)[O] c1c(cc(cn1)C(=O)[O])C(=O)[O] C(=O)(c1ccc(cc1)c1ccc(cc1)N(c1ccc(c2ccc(C(=O)[O])cc2)cc1)c1ccc(c2ccc(C(=O)[O])cc2)cc1)[O] c1(ccc(cc1)N(c1ccc(c2ccc(C(=O)[O])cc2)cc1)c1ccc(c2ccc(C(=O)[O])cc2)cc1)c1ccc(C(=O)[O])cc1 c1cnccc1c1n(c(c2ccncc2)nn1)N c1(c2n(c(c3ccncc3)nn2)N)ccncc1 c1cc(ccc1C(=O)[O])c1ccc(cc1)N(c1ccc(c2ccc(cc2)C(=O)[O])cc1)c1ccc(c2ccc(cc2)C(=O)[O])cc1 c1cc(ccc1c1ccc(cc1)C(=O)[O])N(c1ccc(c2ccc(cc2)C(=O)[O])cc1)c1ccc(c2ccc(C(=O)[O])cc2)cc1 [F] c12cc(c(cc1Cc1cc(c(cc1Cc1cc(c(cc1C2)OC)OCC=C)OC)OCC=C)OC)OCC=C c12cc(c(cc1Cc1cc(c(cc1Cc1cc(c(cc1C2)OCC=C)OC)OCC=C)OC)OCC=C)OC n1ccc(cc1)c1c(c2ccncc2)c(c(c2ccncc2)s1)c1ccncc1 n1ccc(cc1)c1c(c2ccncc2)c(c(c2ccncc2)s1)c1ccncc1 O=C([O])[C].O=C([O])[C].O1N2[N][N]N2O1.[C].[C].[C]#[C].[CH].[CH].[CH].[C].[C].O=C([O])[C].O=C([O])[C].[C].[C].[C]#[C].[CH].[CH].[CH].[C].[C].[H].[H].[H].[H].[H].[H] O=C([O])c1cc(cc(N([O])N([O])c2cc(cc(C(=O)[O])c2)C(=O)[O])c1)C(=O)[O] [H] [O]C(=O)[C].[O]C(=O)[C].O1N2[N][N]N2O1.[C].[C].[C]#[C].[CH].[CH].[CH].[C].[C].[O]C(=O)[C].[O]C(=O)[C].[C].[C].[C]#[C].[CH].[CH].[CH].[C].[C].[H].[H].[H].[H].[H].[H] [O]C(=O)c1cc(cc(N([O])N([O])c2cc(cc(C(=O)[O])c2)C(=O)[O])c1)C(=O)[O] n1ccc(cc1)c1ccncc1 n1ccc(cc1)c1c(c2ccncc2)c(c(c2ccncc2)s1)c1ccncc1 n1ccc(cc1)c1c(c2ccncc2)c(c(c2ccncc2)s1)c1ccncc1 n1ccc(cc1)c1c(c2ccncc2)c(c(c2ccncc2)s1)c1ccncc1 O O=C([O])C(=O)[O] [O]C(=O)C(=O)[O] s1c(ccc1C(=O)[O])C(=O)[O] P(=O)(CN1CCN(CP(=O)([O])[O])CC1)([O])[O] [P@@](=O)(CN1CCN(C[P@@](=O)(O)[O])CC1)([O])O n1ccc(c2c(c3ccncc3)sc(c3ccncc3)c2c2ccncc2)cc1 n1ccc(cc1)c1c(c2ccncc2)c(c(c2ccncc2)s1)c1ccncc1 C1=N[CH]N(Cc2cc(CN3[CH]N=C[N]3)cc(CN3[CH]N=C[N]3)c2)[N]1 C1=N[CH]N(Cc2cc(cc(c2)CN2[CH]N=C[N]2)CN2[CH]N=C[N]2)[N]1 c1(ccc(cc1)n1ccnc1)N(c1ccc(cc1)n1ccnc1)c1ccc(cc1)n1ccnc1 N1=C[N]N([CH]1)Cc1cc[c]cc1.n1(ncnc1)[C].[C]1[C@@H]2[C@H]([C][C@H]3[CH][CH][C@@H]13)[CH][CH]2 N1=C[N]N([CH]1)Cc1cc[c]cc1.n1(ncnc1)[C].[C]1[C@H]2[C@@H]([C][C@@H]3[CH][CH][C@H]13)[CH][CH]2 N1=C[N]N([CH]1)Cc1ccc(cc1)c1ccc(CN2[N]C=N[CH]2)cc1 O=C([O])c1cc(C(=O)[O])cc(c1)C(=O)[O] [O]C(=O)c1cc(C(=O)[O])cc(c1)C(=O)[O] P(=O)(CC(=O)[O])([O])[O] N1=C[N]C=C[CH]1 [C]#N [C]([N])[C][N] [C]1[N][N][C]1 [C][N] n1ccc(cc1)[C@@H](C)O n1cccnc1 n1cnccc1
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