The National Library of Medicine Intramural Research Program routes its efforts toward two wide areas of computational biomedical sciences: Computational biology, utilizing biological data to advance models and formulas to better comprehend biological systems and to connect connections in between any degree of organic company, chemical, molecular, cellular, organ, private, or population. Computational wellness scientific researches, concentrating on professional data processing, including new computational approaches for scientific data and wellness information criteria.
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CID | MolecularFormula | MolecularWeight | CanonicalSMILES | IsomericSMILES | InChI | InChIKey | IUPACName | XLogP | ExactMass | MonoisotopicMass | TPSA | Complexity | Charge | HBondDonorCount | HBondAcceptorCount | RotatableBondCount | HeavyAtomCount | IsotopeAtomCount | AtomStereoCount | DefinedAtomStereoCount | UndefinedAtomStereoCount | BondStereoCount | DefinedBondStereoCount | UndefinedBondStereoCount | CovalentUnitCount |
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145994355 | C11H9ClN2O5S2 | 348.8 | C1=CC(=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)O)Cl | C1=CC(=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)O)Cl | InChI=1S/C11H9ClN2O5S2/c12-10-2-1-7-13-11(10)14-20(15,16)8-3-5-9(6-4-8)21(17,18)19/h1-7H,(H,13,14)(H,17,18,19) | HCEVZVCXFTUKMF-UHFFFAOYSA-N | 4-[(3-chloropyridin-2-yl)sulfamoyl]benzenesulfonic acid | 0.2 | 347.9641414 | 347.9641414 | 130 | 546 | 0 | 2 | 7 | 4 | 21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
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