This Supporting Electronic Data readme.txt file was generated on 20250109 by Lyle Isaacs

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GENERAL INFORMATION
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1. Title of Dataset: Supporting Electronic Data 

2. Author Information:

Principal Investigator Contact Information:
Name: Prof. Dr. Lyle Isaacs
Institution: University of Maryland College Park
Address: Department of Chemistry and Biochemistry, 8051 Regents Dr.
Email: LIsaacs@umd.edu

3. Date of data collection: 20230101  20250109

4. Geographic location of data collection: College Park, Maryland, United States 

5. Information about funding sources that supported the collection of the data:

Past support: National Science Foundation (CHE-1807486) 
Current Support: National Institute of General Medical Sciences of the National Institutes of Health (R35GM153362) 

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SHARING/ACCESS INFORMATION
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1. Licenses/restrictions placed on the data: None

2. Links to publications that cite or use the data: None

3. Links to other publicly accessible locations of the data: None

4. Links/relationships to ancillary data sets: Cambridge Cystallographic Data Centre deposit number 2411723. Available at: https://www.ccdc.cam.ac.uk

5. Was data derived from another source? No

6. Recommended citation for the data: None

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DATA & FILE OVERVIEW
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1. File List: 
A. Filename: Figure S1 (folder)  Figure S14 (folder)
Short description: These folders contain the electronic NMR data used to create Figure S1  Figure S14, respectively.
B. Filename: Figure S15 (folder)  Figure S30 (folder)
Short description: These folders contain the electronic ITC files (in triplicate) used to create Figure S15  Figure S30, respectively.

2. Relationship between files: Not applicable

3. Additional related data collected that was not included in the current data package: Not applicable

4. Are there multiple versions of the dataset? No

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METHODOLOGICAL INFORMATION
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1. Description of methods used for collection/generation of data: 
The methods used to collect the data are described in the published versions of the paper and the experimental section of the Supporting Information.

2. Methods for processing the data: NMR data was processed using the Topspin software package.  ITC data was processed using the PEAQ ITC data analysis software supplied by the vendor (Malvern Instruments).

3. Instrument- or software-specific information needed to interpret the data: Not applicable

4. Standards and calibration information, if appropriate: The NMR spectra are referenced relative to residual protonated solvent signal (e.g. HOD).

5. Environmental/experimental conditions: The conditions are presented in the captions of the Figures in the Supporting Information file.

6. Describe any quality-assurance procedures performed on the data: Not applicable.

7. People involved with sample collection, processing, analysis and/or submission: Christian Akakpo and Lyle Isaacs

