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DocuSign Envelope ID: 2C9A15C0-96C9-446E-B04D-962B58E2C89D

Trustees’ Report and Financial Statements For year ending 31st December 2021

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DocuSign Envelope ID: 2C9A15C0-96C9-446E-B04D-962B58E2C89D

About this report

The Trustees present their annual report together with the audited !nancial statements of the group and the company for the year 1 January 2021 to 31 December 2021. The Annual Report serves the purpose of both a Trustees’ report and a Directors’ report under company law.

The Trustees con!rm that the Annual Report and !nancial statements of the company comply with the current statutory requirements, the requirements of the company’s governing document, and the provisions of the Statement of Recommended Practice (SORP) applicable to charities preparing their accounts in accordance with the Financial Reporting Standard applicable in the UK and Republic of Ireland (FRS 102) (effective 1 January 2019).

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DocuSign Envelope ID: 2C9A15C0-96C9-446E-B04D-962B58E2C89D

About this report 2
Contents 3
About the CCDC and its purpose 4
We shape the future: ��4
What we do ��4
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Financial review 20
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Structure, management, and governance 24
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Independent auditor’s report 34
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Charity balance sheet 42
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Docusign En¥ÈlopÈ ID". 2C9A15CO-96C9446E-B04D-962858E2C89D About the CCDC and its purpose We shape the future: What we do With scientific software and high-quality data services that accelerate the discovery and development of new medicines, chemical products, and advanced materials. CCDC areworld-leading experts in structural chemistry data, scientif ic software, and knowledge for materials and life science research and application. By promoting collaboration across academia and industrygloballyto generate new discoveries and methods in structural science. We specialise in the collation, preservation, a nd application of scientif ic structu ral data for use in pharmaceutical discovery and manufacturing, materials development, and research and education. By inspiring and training a new generation of structural chemists worldwide through outreach and education. We compile and distribute the Cambridge Structura l Database ICSDI, a certif led trusted database of fully curated and enhanced organic and metal-organic high- quality structures, used by researchers across the globe. Our cutting-edge scientif ic software empowers scientists and researchers to extract invaluable insights from the vast dataset, inform i ng and accelerating their research and development. Screenshots taken from our video "We are the CCDC"_ available on our YouTube channel PAGE 4

Docusign En¥ÈlopÈ ID". 2C9A15CO-96C9446E-B04D-962858E2C89D What makes us different? that provide researchers with the tools to access, search, visualize, and mea ningfully interpret the data within the CSD. High-quality. trusted data Each structure within the CSD undergoes extensive validation and cross-checki ng via automated workflows lutilising machine learning and semantic rules) and through manual curation by our expert chemists and crystallographers. This means you can trust that all the data within the CSD is accurate, consistent, and of highest quality. Knowledge Using a novel application of existing and new algorithms and methods to explore the high-quality structural data and physicochemical properties within the CSD, we can extract scientif ic i nsights to advance structural science worldwide. Furthermore, we enrich all the data with bibliographic, chemical, and physical property information and a range of additional metadata.This addsfurther value to the original structural data and enables scientists land machines) to interpret the structures in a chemically meaningful way. Supporting the community We are committed to the advancement of chemistryfor the public benefit, serving the global chemistry community by helping to address our customers, structural, physical, and chemical challenges through high- quality data, cutting-edge software, and specialist knowledge. We offer a selection of products and services free of charge for the benefit of the scientific community. Our services cover a wide range of crystal lograph ic tools-f rom data collection, validation, and visualization to teaching, research, and analysis. Unlque data We enable researchers to publish data that otherwise would have remained unpublished, confidential, and unknown directlythrough the CSD.The CSD therefore contains data that isn't available anywhere else in the world. Intelligent software and expertise Our in-house software experts keep up to date with the latest developments in global data and software, applying their knowledge and expertise to develop robust systems Representation of cyll upplicotion storts ocross our entire portft)lio in 2021. The larger dots indicate counrries with a higher volume of opplication stortS. r • PAGE 5

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Our strategy: Advancing structural chemistry worldwide

The main objective of the not-for-pro!t charity is the general advancement and promotion of the science of chemistry and crystallography in all its branches for the public bene!t.

The CCDC’s strategy is to continue collecting, curating, making available, and learning from structural chemistry data on a deeper, faster, and more interlinked level, as well as gradually more in line with open and FAIR (Findable, Accessible, Interoperable, Reusable) requirements. We’ve set a goal to go from one million to over two million structures over the next !ve years. Both more complex molecules (for example, proteins, macromolecules, metal-organic frameworks, and polymers) and non-experimental data or theoretically calculated data (for example, crystal structure prediction landscapes and structures with density-functional theory with recalculated hydrogen positions) will be stored. This data growth, the inclusion of new types of structures, and the increased level of interlinking will be based on a new, presently evolving, foundational database architecture

that is much more scalable and futureproof. Through updated editorial work!ows and improved interactions with the wider scienti!c community and all depositors, we will capture and add more !elds and metadata, as well as physicochemical data (such as melting points and solubility). We endeavour to lead structural scienti!c research by working with all our in-house scientists, our research partners, and our international academic network. By developing and supporting CCDC’s industryleading, scienti!c software suites and underlying high-quality and high-precision data, we will !nd new insights using novel techniques in machine learning and arti!cial intelligence. To this end, CCDC is constructing a distributed and heterogeneous, highcompute infrastructure using all our existing computational power. This system will use other cloud computing resources to expand elastically as needed for more scienti!c computations.

Furthermore, through our global education and outreach, we’ll promote the power of structural science and train up the next generation of scientists and CCDC champions—ensuring better adoption of CCDC’s software suites and data within both academia and industry.

Jürgen Harter, CEO of CCDC, showing the Olga Kennard Ewald Prize, awarded by the international Union of Crystallography IUCr in 2021

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Docusign En¥ÈlopÈ ID". 2C9A15CO-96C9446E-B04D-962858E2C89D Our strategic aims, vision, and mission: Collectlng, cumtlng* providlng, and learning from structural chemistry data Enabllng educutlon and outreach Be the world-leading provider of structural chemistry information for use in education to promote the power of structural science. Be the world's most comprehensive and trustworthy repository of structu ral chemistry knowledge for life and materials science research and application while establishing data trust through CCDC'S adoption of the FAIR data principles and a philosophy of data openness. Supportlng our people Live our values to be a healthy, happy, col la borative, productive, innovative, a nd fun place to work that values teamwork and delivers on goals with drive, urgency, energy, a nd pro-activity. Leading research structuml scientific Be recognised by industry as the "go-to" partner for structural science in novation le.g., creation of digital drug design and manufacturing centresl. Customer centrlclty Enable world-cla55 academic research that advances the application of structural knowledge via our growing global research network. Be customer-focused and deliver against requirements on time and on target. Dellverlng sustalnablllty Creating new insights Generate suff icient funds to meet the needs of our industrial and academic customer bases. Empower new scientific insights based on exploration of high-quality structu ral data. Apply existing and new algorithms and methods-including artif icial intelligence, machine learning, deep lea rning, statistics, and automation-in novel ways. Creating and supporting industry leading software Deliver a modern, cohesive, and reliable softwa re ecosystem Icloud-basedl that enables our users to gain new insights from structu ral data. CSD STRUCTURE Refcode.. CITRAC PAGE 7

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Our values

At the CCDC, our mission is to shape the future of structural science by accelerating the discovery and development of new medicines and chemical products by promoting collaboration across academia and industry and by inspiring a new generation of structural chemists globally through outreach and education.

We have nine core values underpinning everything we do to ensure we achieve our mission. The CCDC and its staff live by the following nine principles and value statements, and over 2021 we have further embedded these values in the ways we work across all levels of the organisation.

Resonance by Clare Crouchman

Public Bene!t

The CCDC Board of Trustees holds in high regard the principle of public bene!t and requires the CEO, wider senior leadership, and staff of the CCDC to pursue policies that demonstrate this. At its quarterly meetings, the Board of Trustees reviews ongoing charitable activities to ensure consistency with our charitable objects. The Board of Trustees is aware of the Charity Commission’s guidance on public bene!t and has had regard to it in determining the Charity’s aims and objectives and in the way it carries out its activities.

Crystal landscape by Alex Moldovan.

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Docusign En¥ÈlopÈ ID". 2C9A15CO-96C9446E-B04D-962858E2C89D Community Collaboration Customer Centricity We serve the global scientific community for the public benef it. We work together and engage positively with others to achieve our goals. We provide a quality product and service with an excellent customer experience. Integrity Innovation Passion We act with integrity and communicate honestly and transparently. We push boundaries in all thatwedoand creatively advance understanding. We are enthusiastic about the services we provide and committed to the people we help. Quality Agility Diversity We are experts in our field, producing trusted resou rces for our community and customers. We act in flexible and eff icient ways, with a sense of urgencyand turn around requests as fast as possible without compromise to quality. We believe in diversity and inclusion, and we workto create a culture of belonging, where everyone is welcome, valued and respected. PAGE 9

Docusign En¥ÈlopÈ ID". 2C9A15CO-96C9446E-B04D-962858E2C89D Delivering our vision During 2021, the Cambridge Structural Database ICSDI grew to over 1.16 million entries and 1.13 million unique structures. This was an increase of over 63,000 entries in 2021 a nd an additional 25,000 existing entries were improved and enhanced through our annual CSD Improvements programme. With the continued growth of the database, the CCDC expanded our portfolio of targeted collectionsof data. 2021 saw the launch offour new col lections, namely Electron Diff raction, Polymorphs, Hydrates, and High-pressure subsets.These targeted datasets help provide easy access to h ig hly relevant structures that can be hard to locate with simple searches and that are convenient starting points for further research and analysis. The subsets are often created with external collaborators who are experts in their f ields. So, users benef it from both internal and external knowledge. During the year, four data releases were delivered through our desktop software and users could access up to the minute data updates through our online services such as Access structures and WebCSD. The CSD continues to be a global community resource, and in 2021 alone deposited structures were determined by over 7,000 different crystallographers from over 80 different countries. The abi l ity for resea rchers to publish directly through the CSD for free as CSD Communications helped support the amount of new crystal structures shared with the community. CSD Communications continued to bethe number one wayto share structural data with over 6,000 additional structures shared in this way during the year. The CCDC also supported researchers worldwide to help convert over 400 historical entries into the CSD f rom hardcopy, printed information. The value of one m i Ilion plus crystal structures continued to be the subject of hundreds of articles worldwide, including 17 that were showcased through ourIooL&iMSerIe5. In 2021, over 1,000 peer-reviewed articles by researchers in academia and industry cited the CSD reference paper highlighting the breadth of applications made possible with this data. Alongside its use in research, the value of using the CSD in education was highlighted by eight guest blogs in our £LD ducatorsseries. 12M

l.160.000 Iruciures publishecl l Millw)n CSD. XOPCAJ Ifuctur published StructuiedereiTnined tyYaoWan9 and his ieam irn2019 0.8M 0.6M The millionth CSDstructure 0.4M- 0.2M Chart showing the growth of rhe CSD. PAGE 10

Docusign En¥ÈlopÈ ID". 2C9A15CO-96C9446E-B04D-962858E2C89D M(yp showing Qttendees of the Virtuol Workshops in 2021. The dorker rhe blue more people ottended, with light blue indicating at leost one person joined from thot country. During the year, the CCDC continued to support our global scientific community virtually. We participated in many virtual internationa I conferences, including the Britlsh Crystallographic Association IBCAI meeting, the American Crystallographic Association IACAI meeting, the IUPAC World Congress, both the Spring and Fall American Chemical Society IACSI meetings, the Ita l ia n Crystallographic Association meeting, the Brazilian Association of Crystallog raphy meeting, the Research Data Alliance IRDA) Plenary meeting, and the Pan-African Conference on Crystallography. The CCDC also participated in the International Union of Crystallography IIUCrl Congress meeting, where the founder of the CSD, Dr Olga Kennard, was awarded the 12th Ewald Prize for her i nval ua ble pioneering contri bution to the development of crystallographic databases. Alongside participating international conferences, the CCDC hosted several fully virtual User Group Meetings and a Science Day. These events were well attended with around 90 attendees and around 250 registrations on average each from users globally. During 2021, the CCDC hosted nine free virtual workshops and delivered over 18 train i ng sessions at i nternational conferences and events, including many crystallography schools. The Virtual Workshops sessions were well attended from all over the world, with attendees from over 58 countries represented throughout the year. As well as supporting and hosting virtual global events, the CCDC established and enriched the educational resources we provide. These resources include guided step by step workshops, how to videos and social media software tips to help users explore the CSD and associated software. CSDU, a new collection of on-demand modules, with content comparable to that of live workshops and with a completion certificate to be earned at the end, was also launched in 2021. These on-demand courses go beyond our existing platform of self-guided workshops with focussed modules that include bite- sized videos, demonstrations, guided hands- on exercises and tests. They help to increase the accessi bility of our training courses across different time-zones, competing schedules and different preferred learning styles of our user base. All the modules are free to access and are designed to help train the next generation of scientists in the value of structural data for research and education. PAGE 11

Docusign Envelope ID". 2C9A15CO-96C9446E-B04D-962858E2C89D CSD STRUCTURE Refcode. ASETEZ We have also created new resources for chemistry and crystallography students and educators. These include two videos, covering challenging topics like chirality, symmetry operators and point groups, and an introductory short guide to the Crystallog raphic I nformation File ICI FI, including CIF syntax. For younger aspiring scientists, we expanded the CCDC Home Learning collection with fun videos to introduce them to the wonders of crystals with simple experiments. institutions were awarded a campus-wide CSD license under the FAIFIE programme. In the same year, over 50 peer-reviewed research articles were published because of our FAIRE programme an outstanding result considering that the total number of publications up to 2020 was around 80. The Russian invasion of Ukraine has forced the Centre to develop a response to this event through discussions between the ELT and the Board of Trustees. In this instance, the financial impact is small. The response has been to offer Ukraine the benefits of the FAIRE program due to the economic impact of the invasion. In the next Board meeting, the Trustees will develop a policy to offer guidance on how to respond when future geopolitical unrest occurs. In addition, the Risk Committee is adding the potential of global unrest to the risk reg ister. We continued to promote our Frank H. Allen Internationa l Resea rch and Education IFAIREI programme that provides free access to the CSD and associated software to scientists in eligible countries who may not otherwise have access. We have improved on facilitating the application process, for example by creating an online form. In 2021, four new A previous CFC workshop. PAGE 12

Docusign En¥ÈlopÈ ID". 2C9A15CO-96C9446E-B04D-962858E2C89D Impact of the CCDC Our data, software and services are used extensively both for industrial resea rch and for academic endeavour. Users have published some 2,724 papers with a topic of "Cambridge Structural Database" since 1984, according to web of science. As can be seen from the histogram, the numbers of publ ications that cite the CSD as their topic of research have steadily increased since the year 2000. Pie Chort showing tho common Web of Science cotegorie& Finally, the CSD has had a broad impact in 59 different topic areas. The topic areas that contain more than 100 papers are shown below. We note that while the high- ranking topics are dominated by chemistry and crystallography, the range of themes covered is far higher. For example, single papers have been published in areas such as toxicology or forensic analysis. Growrh in publications with the CSD as their topic of reseorch in Web ofscience. The impact of the CSD is truly global. Web of Scienceshowsthat publicationswiththeCSD as a topic have emerged from 87 countries worldwide, shown in the map visualization below. CSD STRUCTURE Refcode.. LIRWLIH Map showing the countries thot published papers bosed on the CSD. PAGE 13

Docusign En¥ÈlopÈ ID". 2C9A15CO-96C9446E-B04D-962858E2C89D The Crystal Structure Prediction Blind Test In someways, predicting a crystal structure of a small molecule is considerably harder than a test of protein folding because the required degree of accuracy is an order of magnitude higher for a prediction to be useful. In addition, the range of chemistries that need prediction for small molecules is far broader than the chemistry of polypeptides. The process of the blind test is visualized above. Initially, CCDC sources a set of compounds with crystal structures. These structures are held back f rom deposition in the CSD and kept blind at CCDC. Participants arethen set the challenge of predicting these structures. They submit their predictions to the team at CCDC who assess the results. The CCDC team then presents findings back to the participants summarizing the overall achievements of the teams in a post-test meeting and paper. Visualization of the blind test. Crystal Structure Prediction ICSPI is a key scientif ic endeavour. The end goal of crystal structure prediction is to predict reliably all the crystalline forms that a compound can form starting from the 2D chemical diagram. CSP is of interest both academically, as a n u nsolved cha Ilenge, and industria I ly. Industry is interested in CSP for many reasons. In pharmaceutical development, understanding the polymorphic crystal landscape can help recognize the risks of moving forwards with a given form. In other scientific domains too, a CSP "landscape" li.e., a prediction of al I the structures that are energetically favourablel is potentially useful as it may suggest possible new forms that experimentalists can hunt for. Those new forms may have interesting new crystalline properties that consequently, could be new functional materials relevant to materials in optics, organic semiconducting, non-linear optics, gas separation, and more. We launched the latest test in October 2020 (7th blind test). The test has seven systems. Three are deemed methods development systems, whilst four are aimed specifically at the agrochemical and pharmaceutical industries. The test has progressed this year and the first phase closed. We have now launched the second phase of the test. • o CCDC has run a series of high-profile benchmarks of CSP over the past 22 years. Rather like the Critical Assessment of Structure Prediction ICASPI protei n folding tests, the CCDC CSP blind test challenges methods developers to predict unknown structures. Google Deepmind caused a stir at the last CASP test by achieving signif icant improvements to the results obtained due to methodological advances. We've seen more incremental improvements in CSPsince1999, with groups steadily achieving more success each time the test has been run. Energy-density visuolisotion of the solid form landscape of molecule XXIII from the 6th CSP Blind Test. PAGE 14

Docusign En¥ÈlopÈ ID". 2C9A15CO-96C9446E-B04D-962858E2C89D CCDC Studentship Program TheCCDC runsa vibrantandvariedstudentship programme. Typically, 9 to 12 students are in train at any one time. Currently we have 12 students active. We started 2 new PhDs in 2021 and provided additional sponsorship for a third student. CCDC typically acts as a co- sponsor of a student, contributing part of the fees and i n-ki nd contri bution via a n i ndustrial supervisor. The projects focus on areas of particular interest for CCDC. Two new students in 2022 will focus on database information content augmentation, for example. The historical network of European PhDs is shown below, colour coded by institution. The circle size indicates the degree of activity with the institute, vis-a-vis the number of students that have been hosted atthe institute through time. We have also had PhD students based in the USA historically. We are looking to expand our network in the coming years to include other countries. The PhD student projects cover a wide variety of topic areas. For example, this year we have had new projects starting in materials science, artif icial intelligence for drug discovery, and in characterization of metal-organic frameworks. 2021 saw 2 new PhD student research projects Starting. Map showing the historical network of Europecyn PhDs. Colour coded by institution. st Gi) DENMARK UNITED KIN openh•9¢rt NeTriiLANDS POLAND fjERMANY CZECHIA PAGE 15

Docusign En¥ÈlopÈ ID". 2C9A15CO-96C9446E-B04D-962858E2C89D Key product releases 2021 saw six major releases across the desktop and web platforms, our first formal professional service launch, and seven further minor launches lincluding maintenance and data updates). CSD-Community Updates In 2021, we introduced some new capabilities for CSD-Community li.e., free to access) users. In March 2021, we launched the CSD MOF Collection, which is freely available for non-commercial research, and helps support the use of CSD data in the fast-moving and impactful f ield of metal-organic framework research. MOF research continues in many directions, but these versatile materials are alreadyinuseinareasasdiverseasgasstorage, gas separation, energy storage, catalysis, batteries, semiconductors, and sensors. In December 2021, we also made some key structure editing ca pabi l ities within Mercury freely available, so CSD-Community users of Mercury can now edit structures manually or automatically to ensure they can achieve the best chemically meaningful analyses and visual representations of their structures. A key focus over 2021 was measuring the impact of each launch, plus the feedback from customers around our products, and using these data to optimize both whatwe're working on and how we communicate it to our user communities. Ensuring CCDC data and tools are available to as wide a community as possible is a key driver for our developments. 2021 included sign if icant database and architecture investment, as well as investment in the user experience IUXI. The f i rst iterations of these investments were delivered to customers via our Public WebCSD platform in May 2021 and the launch of a new product suite built entirely following our new UX approaches ICSD-Theoryl happened in April 2021. CSD teriif i£e Overview of the CCDC Product Portfolio, including the renomed CSD-Core suite at the heart. CSDMateri21 Discovery. I CSDCore. CSl)Theory. •@ ••0 @•,-•O•+e GOLD ••0 CSDCommunity. PAGE 16

Docusign En¥ÈlopÈ ID". 2C9A15CO-96C9446E-B04D-962858E2C89D CSD-Core Updates Within CSD-Core we had a strong focus in 2021 on building and launching key components that will form the basis of our new CSD Web Platform in the future. 2021 saw the full launch of our new CSD Sketcher in August 2021, which replaces the Elemental sketcher from Dotmatics in both our Public WebCSD platform and our On-site WebCSD platform. (The sketcher was first released as an alpha version during 2020.1 Developing our own CSD Sketcher has allowed the CCDC to much more effectively tailor sketching to 3D structural queries relevant to searching crystal structures, aswellashandlingsimpler2Dchemicalqueries. In addiction to developing the user interface, the underlying database and architecture behind WebCSD are evolving. Through the Database Evolution project, we now have a faster, more maintainable, and more extensible system behind the WebCSD interface. We will Alongside the focus on our developing web continue to build on this platform in 2022, but platform, we also introduced some impactful we are already seeing some of the benef its of new capabilities within the rest of the CSD- the database evolution within WebCSD. For Core suite. In December 2021, we extended example, we can now seamlessly improve and the structure editing capabilities in Mercury extend the platform behind the scenes with to allow editing of covalent bond distances, limited or no impact on the users. giving users greater control over disordered structures and complex coordi nation chemistries. We also introduced four new CSD subsets (electron diff raction, polymorphs, hydrates, a nd hig h pressure) to help users f ilter the data that matters most to them, as well as improving the accessibility of subsets through ConQuest, Mercury, and the CSD Python API. r* kt CSD SkÈtcher.' fully lounched os version 1.0 in August 2027. CSD STRUCTURE A)efcode.'ACEKID PAGE 17

Docusign En¥ÈlopÈ ID". 2C9A15CO-96C9446E-B04D-962858E2C89D CSD-Discovery Updates During July 2021, we delivered a range of impactful improvements in the Discovery area including a much more complete range of docking capabilities in the CSD Python API, a new method to generate 3D molecular structures from SMILES (Simplified Molecular-lnput Line-Entry System) strings i n the CSD PyLhon API, and a newGOLD Cluster Computing package to support virtual screening on clusters. We continue to see a lot of interest f rom users in the application of GOLD on cluster and cloud platforms for docking on ultra-large scales. the DASH software, while our team focuses on other developments within the CSD- Materials suite.This sharing ofthe DASH code with the community highlights the CCDC'S support for community-driven approaches a nd open-source i nitiatives. In September 2021, we released signif icant changes to CSD-CrossMiner, our pharmacophore searching component that matches molecules to targets through intu itive, interactive data min i ng. These latest changes to CSD-CrossMiner included improvementstotheuserexperiencethrough optimizations in the user interface that were driven by direct customer feedback. We also increased the awareness a nd visibi l ity around CSD-CrossMiner by integrating the program directly into the standard CCDC Portfolio installation and cross-linking with other parts of the portfolio. Finally, in December 2021, we introduced several changes to how we handle SMARTS and SMILES, making it easier than ever for cheminformatics teams to work with the CSD, Mercury, and the CSD Python API. L.Jlll Hydrogen Bond StotlStics.' fArst lounched in September 2021. In September 2021, we also had the first formal launch of some of our professional servicesasa product.'theSolid Form Snapshot and Solid Form Health Check. These allow organisations to better understand thei r solid forms, through applications of our expert solid form informatics a pproaches via reports and consultancy services. The Solid Form Snapshot provides a fast, standardised, data- driven report on a solid form to help assess risks and inform development. The Solid Form Health Check goes further to provide bespoke analysis of a solid form, including custom analyses, a more thorough report, and a tailored debrief meeting to present key findings and answer questions. CSD-Materials Updates In September 2021, we launched a new Hydrogen Bond Statistics component in Mercury and the CSD Python API, delivering Mogul-like functionality for hydrogen bonds. This new CSD-Materials knowledge- driven component allows users to assess the stability of a given crystal structure by analysing the usual- or unusual-ness of the observed hydrogen bonds in the context of the over one million crystal structures i n the CSD. In December 2021, we also completed the process of moving the program DASH, software focused on crystal structure solution from PXRD data, from a CSD- Materials component to become an open- source package. This change means the user community can freely use and extend rom doto to drug. PAGE 18

Docusign En¥ÈlopÈ ID". 2C9A15CO-96C9446E-B04D-962858E2C89D CSD-Theory Updates 2021 sawthefirstformal launch of CSD-Theory asa new product suite availableto customers. This is the first new product suite launched by CCDC in a deCadthe most recent new suite previously being CSD-Materials, which was first launched as the Materials Module of Mercury in 2007. CSD-Theory has been developed in close consultation with industrial customers. The product development was both funded and closely guided by the Crystal Structure Prediction Consortium ICSPCI Industry Partners made up of six globa I pharmaceutical organisations. At pointof launch inApril 2021,this innovative new platform provided the ability to capture proprietary CSP landscape data alongside experimental data within On-site WebCSD. CSD-Theory sees the CCDC broadening its vision of making powerful use of collective data for science to incorporate not just experi mental structures, but also pred icted ones, further supporting the scientif ic community in generating insights. In December 2021, we also introduced the new CSD Landscape Generator in Mercury as a further component within the CSD-Theory suite that allows customers to generate a solid form landscape of any single- or multi- component system-quickly, easily, and empirically. XXIII $R7 CSD-Theory Web interface.. first launched in April 2027. The CSD-Theory Web system allows easy viewing and understanding of landscapes, analysis to discover new insights, and easy sharing within a team via a simple URL. The CSD-Theory API component also allows easy access to prediction data, including metadata alongside experimental data, via the CSD Python API. Looking Forward A lot of the work on both product prototyping and product development that we have been carrying out in 2021 will be realised and delivered during 2022. We expect to see in 2022 advances across all our suites delivered through at least three major desktop releases, three major web releases, three specific data updates, and several minor maintenance releases or component launches. 2022 will bring the launch of another new product suite to further extend the CCDC Product Portfolio into new application areas while maintaining the CCDC'S fundamental focus on the collective use of data to drive discovery. We will also continue to advance our key effort in building our future CSD Web Platform, which we'll develop on our evolving database architecture and in accordance with UX best practices. The new platform will be able to support both an increase in scale of data, as well as new data types, including protein structures alongside small-molecule structures. CCDC office photogruph - 2021

Docusign En¥ÈlopÈ ID". 2C9A15CO-96C9446E-B04D-962858E2C89D Financial review Revenue 2021 8.QOO.WD F.QQO,ty)O 6.ooo.r S.QOO.UDD 4.QQQ.WD i.(oo.rm i.ooo.ty)o i.ooo.co) Enptknfp lTriumE A breukdown of the revenue. Principal Funding The CCDC'S principal funds arise from the subscription fee to the CSD and its associated scientif ic softwa re. Its su bscribers are academic research institutions from around the globe and industrial companies, mainly within the biopharmaceutical and biotech sectors and growing into other sectors such as agrochemistry. The annual contributions requested from the worldwide academic community are significantly discounted as compared tothe contributions requested from industrial customers, and special consideration is given to academ ic users Wlth f i nancia I need historically underrepresented nations. CCDC sets income from academic institutions at a level required to maintain the CSD data content. Income from non-academic users meets the costs of developing the database, enterprise architecture, and related software and enables the CCDC to invest in relevant scientific methods and applications, research and development. The CCDC received governmentgrantsfor specific projects during 2021. It also received donations f rom its trading subsidiary, CCDC Services Ltd, under a Deed of Covenant. The CCDC holds an investment portfolio from which it receives dividends. The charity does not yet seek to raise funds from third parties by way of donations but has started to investigate this as an opportunity to underpin future growth plans. Despite the pandemic, CCDC'S performance continued to be strong. Driven by strengthened Business Development team, we achieved a 9% growth compared to the prior year. The total revenue was £7,826,459 12020.. £7,167,530). 900 8LK0 7,826,459 7.167,530 7<0 6000 S000 40M 3000 IQOOL 2020 2021 Groph showing the growth in revenue from 2020 to 2021. PAGE 20

DocuSign Envelope ID: 2C9A15C0-96C9-446E-B04D-962B58E2C89D

Expenditure

The activities undertaken in the year were carried out within the budget approved by the Trustees, and all the expenditures were spent for charitable purpose. The total expenditure in 2021 was £11,175,744, an increase of 69% on 2020 (£6,629,236).

The chart shows a signi!cant increase in support costs. This is due to a large increase in USS pension de!cit recovery cost based on the scheme’s 2020 valuation.

Staff costs remain the largest expenditure for the CCDC. The total staff number increased from 79 to 97, between 1 January and 31 December 2021. Total staff costs in 2021 were £9,361,174 (2020: £5,118,289). This is an 79% increase from the previous year. The increase is not only due to increased number of employees, but also the USS pension debt recovery disclosure. USS is a multi-employer de!ned bene!t scheme in which most of CCDC’s staff participate. Given the mutual nature of the scheme, it is not possible to identify individual employer’s share of assets and liabilities. The employers should account for the plan as if it were a de!ned contribution plan. The 2020 valuation taken on 31 March 2020 shows a funding de!cit larger than the 2018 valuation. A funding plan has been agreed. Individual employers are required to recognize a liability for the contributions payable and the resulting expense in income statement. £3,270,557 were added to Staff Costs in the income statement.

The costs in maintaining IT systems, including software and hardware, increased to £351,317 (2020: £263,750). Cloud costs increased in 2021 to support several Microsoft Azure-based projects, including Licensing, Database Evolution, and GOLD Docking. Remote working and additional marketing efforts led to an increase in spending on communication, marketing, and collaborative working tools. We are con!dent that these investments will improve operational ef!ciency, meet the demand of our users by providing a !exible licensing system, and enable us to reach out to potential users more widely.

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Total expenditure 2020 and 2021.

These investments follow our digital transformation theme and are made to enable future growth. Together with a network upgrade to 10Gb, we have enabled greater !exibility for remote/hybrid workers.

During 2021, the building was unoccupied for many months and staff worked remotely, successfully ful!lling their roles. During Q4, we conducted a pilot study to assess staff appetite for returning to the building, for developing Covid-compliant protocols, and for preparing the building for full-occupancy at later date. The learnings from this pilot study will inform our hybrid working policy as we employ more people than the building can host.

Travel restrictions were still in place for the most part of the year. We continued running workshops, User Group Meetings, Consortium meetings, etc online. £64,790 were spent in 2021 on attending, sponsoring virtual events and other marketing activities, compared to £32,116 in 2020. This is at a lower level compared to pre-pandemic years.

The grants for hosting research students were £57,648 this year (2020: £243,337). We sponsored two new students during 2021, two less than anticipated.

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One of the PhD project grant proposals, for which we were to provide top-up funds, did not end up getting funded. We also extended our support for the students whose studies were affected and prolonged by the pandemic. Currently, we are co-sponsoring 11 students from 8 UK universities.

Along with providing !nancial support through our FAIRE program, we also subsidised subscription fees for academic organisations worldwide. Including the !nancial aid provided through the FAIRE program, CCDC subsidized a total of £163,475 in 2021 (2020: £201,727). The CCDC holds an investment portfolio that was affected by the performance of global market. It produced an unrealized gain of £945,035 (2020: loss £31,800). This brought the overall !nancial performance of the CCDC to a de!cit of £2,404,250 in 2021 (2020: surplus £506,494).

Investment policy

Since 1987, CCDC has looked to build up its reserves to provide !nancial stability and to enable it to fund its research and development activities. The primary objective of the investment policy is to preserve the capital and income in the investment portfolio from in!ation.

In 2015, the Board of Trustees reviewed the investment policy. As a result, Newton Investment Management Ltd were appointed as our investment managers and the monies were moved from the incumbent Investment Manager and invested into Newton Growth and Income Fund for Charities.

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Photograph of the top of
CCDC building.
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The investment policy sets no speci!c ethical constraints on the investment portfolio. However, the portfolio should be invested in a socially responsible manner and the investment manager of the portfolio is expected to consider environmental, social, and governance (ESG) issues in their investment analysis and decision-making process, engaging with company management where appropriate.

It is the practice that the investment advisers attend regular meetings of the Board of Trustees and report on the progress of the fund, and of the CCDC’s investment into it. Detailed written reports are produced on a quarterly basis that value the portfolio and record its respective performance statistics. An integral part of the regular meetings is a detailed discussion on the content of the report with particular reference to the performance aspect. The table below shows the fund’s performance in the last !ve years.

Funds performance calendar years in %

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Fund performance calendar years %
2021 2020 2019 2018 2017
Newton Growth and Income Fund for 18.54 1.55 18.34 -1.08 13.14
Charities - Net
Newton Growth and Income Fund for 19.24 2.16 19.05 -0.49 13.82
Charities - Gross
Performance Benchmark 13.34 1.06 16.72 -5.06 10.21
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The Executive Team at the CCDC review monthly reports from the investment managers. The Trustees will review the performance of the investment portfolio on a half-yearly basis. A more formal independent review of the investment manager and investment policy will be carried out at least every !ve years or more frequently if the circumstances require. An independent review was carried out during 2020. The Board were satis!ed with the performance of Newton Growth & Income Fund for Charities. It was decided to continue investing with Newton.

of potential risks and contingencies that may arise from time to time. CCDC’s reserves policy requires the retention of income suf!cient to encompass:

The balance on tangible and intangible !xed assets for use by the Charity to avoid having to liquidate functional assets to release cash less all loans associated directly with these assets.
To cover 50% of the direct costs and support costs, agreed in the budget or at meetings of the Board of Trustees.

The global market recovered steadily during 2021, in!uenced by the roll-out of vaccines. The Fund produced a positive return and outperformed its performance benchmark. At the end of the year, the value of the portfolio was at £6,869,644, which represented an unrealised gain of £945,035. CCDC’s investment strategy is investing for the long term. During the year, we received £139,470 investment income, which was not reinvested (2020: £116,960).

Reserves

Funds to enable designated expenses and provisions that are anticipated to be greater than £200,000 less any external funding of them.

The reserves policy is reviewed annually to take into consideration perceived risks and opportunities.

At the end of 2021, CCDC’s free reserve was £1,824k (2020: £4,427k). This is equivalent to 2 months of operating costs, lower than 50% of 2022 budgeted costs.

CCDC’s Reserves Policy is to maintain suf!cient levels of reserves to enable normal operating activities to continue over a period of at least six months should a shortfall in income occur; the policy should take account

Our present reserves and funds position.

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31 Dec 2021
Unrestricted Reserves.......................................................................................... £5,126k
Designated Funds
Fixed Asset Fund.....................................................................................................£2,003k
Research and Development Fund...................................................................£173k
Sponsorship and Outreach Fund.......................................................................£118k
Pension provision Fund..........................................................................................£908k
Sustainability Fund....................................................................................................£100k
Free Reserves..........................................................................................£1,824k
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Structure, management, and governance

CCDC was incorporated as a Company Limited by Guarantee on 18 August 1987. It has no share capital and is a registered charity. The guarantee of each member is £1. The governing documents are the Articles of Association of the company (as amended May 2010).

In addition to CCDC, the charity operates the following subsidiaries:

CCDC Services Ltd (formerly CCDC Software Ltd.)

a wholly owned trading subsidiary of the CCDC. It was established in 1998 to deliver bespoke software development as necessary to meet the requirements of CCDC’s charitable status. Since 2015, its trading activities have evolved towards professional services from software development. 2019 was the !rst year when all its revenues arose from professional services, which includes Digital Drug Design & Manufacturing Centres. The CCDC’s Board of Trustees and the Director of CCDC Software Ltd approved of the name change to best re!ect the trading activities of the company in May 2019. The name change was of!cially registered with Companies House on 28 July 2019. The company is located at the same address as CCDC. The Directors of CCDC Services Limited consist of two trustees of the CCDC, an external Non-Executive Director, and the Chief Executive Of!cer of the CCDC. The Directors meet at least once a year. The Directors of the CCDC Services Limited do not receive remuneration for

their service. An e x e c u t i v e s u m m a r y report of the key

activities and performance of the entity is provided into the main Board of Trustees’ meeting.

CCDC Inc. – established 9 September 2013 as a New Jersey company.

CCDC Inc. is a standard US Corporation, wholly owned by the CCDC, whose directors include a Trustee of the CCDC who does not receive remuneration and two external Non-Executive Directors with an annual remuneration of $5,000. Day-to-day management has been delegated to the General Manager. CCDC Inc. was established to provide scienti!c technical services to the CCDC user communities across the Americas, which represents almost 40% of the worldwide total revenues. CCDC Inc.’s activities are guided by a service level agreement (SLA). All legal and other agreements with users remain with the CCDC and CCDC Services Limited. The Directors meet once a year, usually in April. An executive summary report of the key activities and performance of the entity is provided at the main Board of Trustees’ meeting.

An of!ce was originally established within University of Rutgers, at the Centre for Integrative Proteomics Research. As we continue to grow our US-user community, we believe the needs of our users can be better served by retaining a core sales and support team in a virtual of!ce to provide the rapid response they demand. This would also allow !exibility to locate US staff closer to the user community. A virtual of!ce was established in July 2018. CCDC Inc.’s staff are located across the US.

Starting from 1 January 2020, CCDC Inc. has a business of!ce address at 1 International Place, Suite 1400, Boston, MA 02110, USA. It has since moved to 1 Boston Place, Suite 2600, Boston, MA 02108, USA. It provides conferencing facilities and other administrative services.

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Governance

The Charity is governed by the Board of Trustees who delegate operational management to the Chief Executive Of!cer (CEO), supported by an Executive Leadership Team (ELT) covering all functions of the organisation, as well as a Wider Management Team (XMT), the Operational Management Team (OMT), Product Management Board (PMB), Technical Review Board (TRB), Data Review Board (DRB), Science Research Council (SRC), Knowledge Management Team (KMT), and the new Project Management Of!ce (PMO). Other cross-functional teams or groups, such as the Wellbeing Committee and Culture Team, also exist. Following a review, improvements to the organisational structure of the Science and Operations functions of the CCDC has been undertaken.

In accordance with governing documents, potential Trustees are appointed by the Board based on recommendations by the Nominations Committee and on their speci!c skills, location, and diversity. Potential Trustees are sent an induction pack covering their obligations under Charity and Company Law, Articles of Association, Memorandum of Association and Codes of Practice, company policies, and a non-disclosure agreement. Potential Trustees are invited to attend Board meetings as observers. After that, the Board of Trustees and the individual consider their suitability to act as a Trustee ahead of their formal acceptance to the post at the Annual General Meeting (AGM). Upon acceptance and appointment, Trustees receive an induction to the business, which covers key aspects of the organisation, its operations, and salient Health and Safety information.

The Board of Trustees usually meets at the CCDC twice per annum in May and November, with two further virtual meetings in February and August. Due to the pandemic all Board meetings were held virtually during 2021. Working to

a standing agenda, the meetings with the CEO and the ELT provide oversight on the performance and progress of the Charity in line with strategy. Progress reports from all functions are presented to the Board at these meetings. In addition, the Board also receives monthly management account reports, which include the investment performance and cash balances. The opportunity for all staff to interact with the Trustees is always encouraged and pre-COVID-19 was speci!cally addressed as part of the on-site meetings. As soon as the restrictions on travel are relaxed, anticipated to be May 2022, these interactions will resume. All staff members have the option to ask questions in quarterly Q&A sessions at All-Staff meetings, where some trustees are usually present as well.

In addition to the Board meetings, the Board members hold regular, quarterly, telephone update calls with the CEO to address any matters arising from the meetings in a timely manner, to address any issues that need action, or to discuss trends and any matters of interest to the advancement of the charity. In special cases, extra joint calls were convened as needed.

During 2021, meetings of the Board Committees, Nomination, Audit, Risk, and Remuneration were held in accordance with their terms of reference.

Nomination Committee

The purpose of the Nominations Committee is primarily to ensure that:

The Board and its committees should have the appropriate balance of skills, experience, independence, and knowledge of CCDC to enable them to discharge their respective duties and responsibilities effectively.
There should be a formal, rigorous, and transparent procedure for the appointment of new trustees to the Board of CCDC.
There should be an ef!cient, fair, and thorough process on which the Nominations Committee leads for recommendations of appointments to the Board.

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Audit Committee

The purpose of the Audit Committee is to ensure the Charity’s annual accounts, budgets, forecasts, and plans are re!ected accurately by management accounts and other !nancial reports presented to them by the !nance team.

Remuneration Committee

Management and Staf!ng

The day-to-day management of the CCDC is delegated by the Board of Trustees to the CEO and operational management is supported by the ELT and other managers who, in 2021, were:

Dr Jürgen Harter

Chief Executive Of!cer

The purpose of the Remuneration Committee is to provide assurance to the Board that the CCDC has an effective and competitive People and Pay Strategy in place that supports the delivery of the Strategy, promoting an effective, highperforming, and diverse workforce, and to oversee issues relating to the remuneration of staff, with speci!c responsibility for making recommendations to the Board regarding the Remuneration Policy and the Executive’s remuneration.

Miss Suzanna Ward

Head of Data and Community

Dr Susan Reutzel-Edens

Head of Science (joined 1 March 2021)

Dr Jonathan Betts

Head of Commercial

Dr James Ellis

Head of Operations (joined 1 September 2021)

Risk Committee

Mrs Bing-Bing Waterman Head of Finance

The purpose of the Risk Committee is primarily to ensure that:

Ms Maggie Brown

Head of Human Resources and Organisational Design

risks to the organisation (including its subsidiaries), assets, and reputation of CCDC are identi!ed, assessed, and monitored;

Ms Carmen Nitsche

General Manager, CCDC Inc.

a risk management framework is created and implemented;

These individuals are the key management personnel. They provide reports for the Board of Trustees in support of governance of the Charity and attend Board of Trustees meetings to present operational reports, to position papers on topics of interest, and to regularly cover the centre’s strategy.

a register of risks is maintained; and
a disaster response strategy and business continuity plan is in place.

The CCDC also has two wholly owned subsidiaries, CCDC Inc. and CCDC Services Limited with each holding one Board meeting per year with their Directors in April and May, respectively.

Diffraction detail by Clare Crouchman.

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Remuneration Policy

The Board of Trustees give their time freely and no trustee received remuneration in the year. Details of Trustees’ expenses are disclosed in Note 8 to the accounts. The Board of Trustees entrust the directing, controlling, running, and operation of the Charity to the Chief Executive Of!cer who is supported by key management personnel. The pay of the senior staff is reviewed annually and increased in accordance with the company pay policy, which is applicable to all CCDC staff and approved by the Board of Trustees as part of the Budget approval process. Furthermore, the Remuneration Committee oversees any of the recommended salary changes, or any other changes to the organisations pay policy and discusses trends in line with up-to-date benchmarking data provided by HR.

Risk Management

The CCDC maintains a register of key risks to the organisation, which covers the following areas:

Business: Staf!ng, External Dependencies, External Threats, Reputation
Finance: Revenue, Expenditure, Financial Fraud
Compliance: Health and Safety, Governance, GDPR
Data and IT: Scienti!c Fraud, Protection of Data Assets, IT Infrastructure
• Building: Infrastructure, Fire, Lease

The Risk register entries detail the likelihood and impact of risks occurring, the steps the organisation takes to mitigate these and areas where further action is required.

The Trustees have oversight of risks facing the organisation through the Board Risk Committee, which reviews the Risk Register at least once a year. The Senior Leadership and Management Team at the CCDC undertook a comprehensive review of the organisation’s risks towards the end of 2020—with further reviews of risks taking place over 2021. As a result of this review process, we identi!ed additional risks relating to continuity. These are now managed at the Functional level, reported at XMT and form part of individuals objectives where appropriate.

Key risks and mitigation measures are summarised in the table below:

Table: key risks and mitigation measures.

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Threat Type Measures In Place
Succession planning; salaries are reviewed and
Inadequate staf!ng benchmarked annually; overall attractive bene!t
package; staff development opportunities
Our good standing within the crystallography
community rests on the quality of our data, its
accessibility and our outreach activities. We
Reputational damage
continue to invest in the scale and quality of our
scienti!c data and services.
We have a formal relationship with the University
University of Cambridge relationship and are known as a University Partner Institute;
this agreement was renewed for 5 years in 2021.
We monitor machine access to our data and work
Arti!cial Intelligence (AI) as competitive with customers to ensure appropriate licences are
threat in place for any party wishing to use AI/Machine
Learning on the CSD.
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Revenues are reviewed monthly along with the
Revenue below budget sales pipeline and historical data to give a clear and
early insight into !nancial performance.
Internal and external fraud risks are countered by
de!ned processes requiring dual authorisation
Financial fraud (e.g. payments) and ongoing training (e.g. phishing
message awareness) and insurance policies.
We operate foreign currency bank accounts and
forward contracts to avoid using spot-rate currency
conversions into pounds sterling. We also operate
Changes in Foreign Exchange Rates
a US subsidiary that enables some US dollar costs
to be managed alongside revenue in US dollars.
Employee and employer contributions have
Increasing pension costs increased in recent years to address de!cits in
valuations.
Our income and expenditure are well matched.
Further, our professional investment provider is
reviewed every 5 years, with monthly reports on
Insuf!cient funds from investment performance. The fund is designated in the same
currency as the majority of our costs, with US$
holdings at a similar level to our US$ costs.
We aim to ensure that our data services offer unique
value and comply with community expectations
Inability to generate revenue from Intellectual regarding data stewardship. We use licensing
Property authentication software to reduce the impact of
pirated software.
Trustee board meetings are quarterly, with
sub-groups as required to focus on particular
topics, plus a Scienti!c Advisory Board (SAB).
We maintain appropriate knowledge and skills
Governance and compliance
to ensure compliance with our obligations e.g.
Charity Commission requirements, GDPR, health
and safety etc.
Continuous availability of IT systems is critical to our
organisation. We have dedicated facilities for our
servers, monitor access to our services and have
implemented cyber security training and systems.
We also use 3rd parties to assess our systems and
Information technology
identify improvements. We have increased our
use of Cloud-based systems to avoid being solely
dependent on our own facilities, and ensure that
critical assets are appropriately backed up.
We have an active programme of building
maintenance to ensure our facilities remain !t for
Buildings and core infrastructure
purpose, with service contracts and out of hours
monitoring.
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Ongoing Impact of COVID-19

The ongoing nature of the COVID-19 world pandemic has had a profound impact on the global economy. All businesses have been affected in one way or another, whether directly or indirectly. CCDC is no exception to this. The CCDC’s Board of Trustees and management team have been closely monitoring the situation since the beginning of the outbreak and have put numerous health and safety measures in place. CCDC’s business model is diverse. Our users are spread across academic research institutions and large pharmaceutical companies. The database and its associated products are distributed globally, to over 80 countries worldwide.

We rely primarily on renewal income (approximately 90%) from a core of subscribers who have continued to access the database over the long term (for decades). As this is needed for their research, they are likely to continue to renew year-over-year. The database has become an integral part of research and business operations for such users, and, as it is digital, it can be remotely operated on and used. Because of this, its continued use is not necessarily dependent on people getting into their labs or research institutions.

In the last couple of years, we have invested heavily into more digital transformation and IT infrastructure that have enabled working remotely to become as ef!cient as working from the of!ce. Additionally, the products and services we provide can be delivered electronically. Consequently, the nationwide lockdowns have had relatively little impact on our productivity and how we deliver our digital products and services.

Over 2021, CCDC staff grew accustomed to working from home. The centre has supported this transition through cooperation platforms, such as MSTeams, and Miro (for whiteboarding and other ideation). Plus, we are operating Slack for instant messaging to enable swift communications across teams, functions, geographies, and time zones.

We are committed to do all we can to support our staff. We provided necessary equipment for the further optimization of home working, allowing reduced and !exible working hours to support staff with personal commitments. Managers frequently checked in with staff for their wellbeing and mental health. The CCDC has not furloughed any staff, nor taken advantage of any of the government support schemes.

At the date of writing, we have visibility of almost 90% of the budget target in revenue. This is a fortunate position to be in at this point in the year. Most of the licensees have already renewed their licences for this calendar year. Moreover, ongoing multi-year agreements with large industrial partners will further contribute to achieving the revenue target for the year. Academic institutions account for about 25% of CCDC’s revenue. It remains to be seen what impact COVID-19 will have on universities worldwide and their budgets; however, a negative impact on the academic community may result in pressures on CCDC’s revenue from that segment. So far, this has not occurred.

We have budgeted to expand the workforce and further advance our charitable goals. However, these costs are not committed and can be scaled back if necessary. We are closely monitoring our !nancial position by continuous review and timely reforecasting.

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The CCDC has a healthy cash balance in the bank, which is easily accessible. We do not anticipate needing to withdraw from the investment fund this year.

We maintain con!dence in the sustainability of the CCDC’s business operations for the long term. Given the nature of CCDC’s business model, revenues for the year appear to remain robust. Continued productivity driven by improved operational ef!ciencies and CCDC’s secure liquid asset holdings makes us con!dent that CCDC will overcome the hardships brought on by challenges like rising in!ation, the cost-of-living crisis, and new geopolitical tensions.

Heightened pressure to !nd novel therapeutics faster than ever in !elds

like in silico drug design, pharmaceutical manufacturing, and data-based structural research may lead to increase demand for CCDC’s products. This is especially true for the !eld of arti!cial intelligence, where new advances mean companies are eager to leverage high-quality data—like the CSD—in their algorithms and models.

Similarly, students and teachers of structural chemistry seeking at-home, online education solutions present new opportunities for CCDC’s education and outreach efforts. Even as research professors return to their labs, it is likely they’ll continue to appreciate !exible educational materials. Between our online educational resources and digital-!rst software offerings, we’re ready to meet the evolving needs of the academic community.

Looking into the future

Looking into the mid-term future (two to three years), the CCDC will endeavour to launch a modern, more user-friendly, and adaptive website (including an eCommerce platform and revamped knowledge portal). This new website will underpin all the interactions with the end users and community, along with appropriate calls to action. This effort will help deliver and categorize any of the information and materials created from the last decades, plus host the new information in an organized, easily navigable, and searchable way for the next 10 years. This is important for futureproo!ng CCDC‘s online experience and to meet CCDC’s goals around automation and optimization. Over 2021, we have already achieved the discovery phase for this new website. Expert project management from our new Project Management Of!ce (PMO) has given us the project discipline to deliver effectively. As we work on other large projects (e.g., CRM changes) we will seek to expand the PMO with more staff.

2022, our internal scientists and new Head of Science will continue to work with and further optimize the membership and operational running of the SAB. The SAB members are tasked with recommending, evaluating, and reviewing scienti!c choices and proposals as to areas to target for future development at CCDC—thereby in!uencing and driving our scienti!c strategy.

Photograph of the CCDC building entrance.

The CCDC is fortunate to have an excellent scienti!c advisory board (SAB). The constituency of the SAB was drawn from our existing user base with scientists who have demonstrated track records in their respective !elds along with an interest in applying crystallographic knowledge. Over

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CCDC value poster - Agility

The addition of an Operations function has enabled us to de!ne and start delivering against objectives that will improve the effectiveness of our systems/processes for staff and end-users. Initially, we are working on three business transformation programmes: HR Business Processes, CRM, and website. These programmes are de!ning the status quo, implementing immediate changes to add value in the short term, and helping to de!ne longer-term programmes of work that will support the ef!cient scaling of our organisation in a way that maximises value to customers. A key theme to support our processes will be Quality. As we expand our organisation, we need a Quality Management System (QMS) that will help us de!ne what we do and how we do it, to support training and value delivery to customers. Process de!nition within a QMS context will help us identify the most appropriate software solutions to facilitate the scale of our business (e.g., CRM ERP, e-commerce). As these initiatives require dedicated project management, we have started to build a Project Management Of!ce to de!ne and demonstrate best practices, and to ultimately deliver the required results to time, cost, and quality.

We will continue to run the CCDC in growth mode in order to achieve more of our charitable aims faster, turning the CCDC into a more agile organization with improved branding and raising awareness of our unique selling points and value proposition: a winning combination of high-quality data, excellent science, cutting-edge software, and vast expertise. We will go from £7.8m top-line revenue and 97 employees in 2021 to £8.5m revenue and 100 employees in 2022 and on to ~£10m revenue and 120+ employees by the end of 2023, if not sooner. We will focus on delivering excellent value with a sense of urgency to a growing set of existing and new customers in the biopharmaceutical, chemistry, and biotech sectors, as well as other industries such as agrochemical, petrochemical, and advanced materials. We will have a new drive to get into functional and advanced materials, which have good potential to open new markets for the CCDC.

We will widen our reach, increase customer engagement and centricity, and enable this growth by further growing the commercial function, including marketing, product management, channel management, partnerships and alliances, and service delivery.

Any generated surplus from the resulting growth will be reinvested in advancing science, data accessibility, and utility; improving our products and services experiences (UX/UI); growing education and outreach efforts; and optimizing and scaling up through our skilled people, systems, and processes. This is done with the goal of serving our end users and the wider international scienti!c community in the best and most sustainable way over the coming years.

It remains clear from recent world events (including the COVID-19 pandemic and growing focus on health research), that structural chemistry has a crucial role to play in battling diseases. As a community, we need to be versatile in our approaches to ensure rapid response. In silico drug design and manufacturing methods as well as digitally advanced materials design will have an important role to play. We believe a digital!rst approach that saves time and resources on the experimental phase will become increasingly important in the coming years.

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This will drive a need for intuitive and userfriendly solutions that use trusted data and methods to provide quick and accurate results. CCDC is the “go-to” partner for structural science innovation, and we look forward to providing those solutions to identify and mitigate risks—from early-phase drug discovery through manufacturing.

industry, and other domains that have a clear and ongoing need for structural chemistry. CCDC will help to shape this future while staying true to our vision and mission to globally advance structural science based on high-quality, trusted big data and software—reaching an ever-growing enduser community.

We continue to expect that the world will evolve towards more remote working or a mixed model, with regular hybrid ways of working. This is a great opportunity for the CCDC to push more digital ways of working since our teams have already adapted to the model. We intend to further pioneer a digital experience by leading the way with data and software that is accessible from anywhere in the world via the cloud. These new practices and methods will underpin future ways of working for the research community, academia (e.g., remote teaching and virtual education at scale), the biopharmaceutical

The investment made throughout 2021 and into 2022 has been necessary to address years of under-investment. With these improvements to the building and the hybrid ways of working developed during the pandemic, we have a unique opportunity to leverage our building, location, and expertise.

Historically the building has hosted various scienti!c events, but we also have interests in associated disciplines, such as cyber security for large datasets. We will seek to develop events at CCDC that improve our network and access to ideas beyond science.

Reference and administration details of the charity, its trustees and advisers

Trustees

Dr David Martinsen, Chair Professor Alessia Bacchi, Vice Chair Ms Judith N Currano Professor Jonathan M Goodman Dr John Overington Dr Nigel Pitchford Professor Susan Bourne Dr Ola Engkvist (Appointed 13 May 2021)

Company registered number 02155347

Independent auditors

Peters Elworthy & Moore Chartered Accountants Salisbury House Station Road Cambridge CB1 2LA

Bankers

Barclays Bank Plc Cambridge CB2 3AA

Charity registered number 800579

Solicitors

Registered of!ce

12 Union Road Cambridge CB2 1EZ

HCR Hewitsons 50-60 Station RoadCambridge CB1 2JH5

Investment Advisers

Chief Executive Of!cer

Dr J Harter

Newton Investment Management Limited 160 Queen Victoria Street London EC4V 4LA

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DocuSign Envelope ID: 2C9A15C0-96C9-446E-B04D-962B58E2C89D

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DocuSign Envelope ID: 2C9A15C0-96C9-446E-B04D-962B58E2C89D

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DocuSign Envelope ID: 2C9A15C0-96C9-446E-B04D-962B58E2C89D

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DocuSign Envelope ID: 2C9A15C0-96C9-446E-B04D-962B58E2C89D

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DocuSign Envelope ID: 2C9A15C0-96C9-446E-B04D-962B58E2C89D

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DocuSign Envelope ID: 2C9A15C0-96C9-446E-B04D-962B58E2C89D

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DocuSign Envelope ID: 2C9A15C0-96C9-446E-B04D-962B58E2C89D

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DocuSign Envelope ID: 2C9A15C0-96C9-446E-B04D-962B58E2C89D

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DocuSign Envelope ID: 2C9A15C0-96C9-446E-B04D-962B58E2C89D

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DocuSign Envelope ID: 2C9A15C0-96C9-446E-B04D-962B58E2C89D

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DocuSign Envelope ID: 2C9A15C0-96C9-446E-B04D-962B58E2C89D

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D/<'$`Z

2021-12-31-accounts

Trustees’ Report and Financial Statements For year ending 31st December 2021

About this report

Contents

Our strategy: Advancing structural chemistry worldwide

Our values

Public Bene!t

Expenditure

Investment policy

Reserves

Structure, management, and governance

CCDC Services Ltd (formerly CCDC Software Ltd.)

CCDC Inc. – established 9 September 2013 as a New Jersey company.

Governance

Nomination Committee

Audit Committee

Remuneration Committee

Management and Staf!ng

Dr Jürgen Harter

Miss Suzanna Ward

Dr Susan Reutzel-Edens

Dr Jonathan Betts

Dr James Ellis

Risk Committee

Ms Maggie Brown

Ms Carmen Nitsche

Remuneration Policy

Risk Management

Ongoing Impact of COVID-19

Looking into the future

Reference and administration details of the charity, its trustees and advisers

Trustees

Company registered number 02155347

Independent auditors

Bankers

Charity registered number 800579

Solicitors

Registered of!ce

Investment Advisers

Chief Executive Of!cer

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