Clare College view of bridge from Old Court

As in previous years all monies saved for not sending greetings cards will be given to the Multiple Sclerosis Society

I just came across a new website that might be interesting, BoBER gives access to a database of bioisosteres.

BoBER (Base of Bioisosterically Exchangeable Replacements) is a freely available method which implements an interface to a database of bioisosteric and scaffold hopping replacements. The web-server enables fast and user-friendly searches for bioisosteric replacements which were obtained by mining the whole Protein Data Bank. BoBER enables medicinal chemists to quickly search and get new and unique ideas about possible bioisosteric or scaffold hoping replacements that could be used to improve specific hit or lead drug-like compounds.

You can submit whole molecule structures which are divided into fragments and then bioisosteric replacements for each fragment can then be identified.

There is a section on bioisosters in the Drug Discovery Resources.

Interesting report from the Crick. Mutations in 'Ras' genes, which drive 25% of human cancers by causing tumour cells to grow, multiply and spread, can also protect cancer cells from the immune system. They show that mutated Ras genes can suppress the immune system around tumours by increasing levels of a protein called Programmed death-ligand 1 (PD-L1). It was already known that high expression levels of PD-L1 was associated with increased tumour aggressiveness and an increased risk of death, and the current study provides the mechanism.

Open Access DOI

Several PD-L1 inhibitors are in development, including Atezolizumab.

The Open Source Malaria project is trying a different approach to curing malaria. Guided by open source principles, everything is open and anyone can contribute.

A recent post gives an opportunity for everyone to participate, you can read a description of the background here Poll to decide which compounds to synthesise next as 'Pfizer phenol' analogues and the actual poll is here.

Following on from @JoshMaxwell's introductory post #554, we're keen to continue exploring this chemistry which now appears to be working well, and applying it to make further analogues of the phenol compound OSM-S-412, OpenSourceMalaria/Series4#3.

You should of course feel free to suggest additional modifications, it would be particularly useful if you could include a brief comment as to why you think your suggestion might be interesting.

The Drug Design Data Resource (D3R) is an NIH-funded resource dedicated to improving method development in ligand docking and scoring through community-wide blinded prediction challenges (http://www.drugdesigndata.org). DOI

The Drug Design Data Resource (D3R) ran Grand Challenge 2 (GC2) from September 2016 through February 2017. This challenge was based on a dataset of structures and affinities for the nuclear receptor farnesoid X receptor (FXR), contributed by F. Hoffmann-La Roche. The dataset contained 102 IC50 values, spanning six orders of magnitude, and 36 high-resolution co-crystal structures with representatives of four major ligand classes. Strong global participation was evident, with 49 participants submitting 262 prediction submission packages in total. Procedurally, GC2 mimicked Grand Challenge 2015 (GC2015), with a Stage 1 sub-challenge testing ligand pose prediction methods and ranking and scoring methods, and a Stage 2 sub-challenge testing only ligand ranking and scoring methods after the release of all blinded co-crystal structures. Two smaller curated sets of 18 and 15 ligands were developed to test alchemical free energy methods. This overview summarises all aspects of GC2, including the dataset details, challenge procedures, and participant results. We also consider implications for progress in the field, while highlighting methodological areas that merit continued development. Similar to GC2015, the outcome of GC2 underscores the pressing need for methods development in pose prediction, particularly for ligand scaffolds not currently represented in the Protein Data Bank (http://www.pdb.org), and in affinity ranking and scoring of bound ligands.

Conclusions:

• Successful prediction of ligand–protein poses depends on the entire workflow, including factors extrinsic to the core docking algorithm, such as the conformation of the protein selected.
• The accuracy of pose predictions tends to be improved by the use of available structural data, via ligand overlays and/or selection of receptor structures solved with similar ligands.
• The accuracy of the poses used in structure-based affinity rankings does not clearly correlate with ranking accuracy.
• Explicit solvent free energy methods did not, overall, pro-vide greater accuracy than faster, less detailed scoring methods

With over 500 proteins encoded in the human genome it is perhaps not surprising that among enzyme inhibitors, Kinase inhibitors are an increasingly important therapeutic category. The plot below the number of results returned for various string searches of PubMed versus year. Whilst "serine protease inhibitors' (grey) was the highest scoring in 1995 over the intervening years "kinase inhibitors" (red) has risen and is now the highest scoring search string.

Given that many of the inhibitors target the ATP binding site it is perhaps not surprising that many molecules inhibit multiple kinases, unfortunately this information is not in a readily searchable format. A recent publication "The target landscape of clinical kinase drugs" DOI describes an approach to provide better understanding

To this end, we used a chemical proteomic approach (kinobeads) and quantitative mass spectrometry to characterize the target space of 243 clinical KIs that are approved drugs or have been tested in humans…..The number of targets for a given drug differed substantially. Whereas some compounds showed exquisite selectivity, others targeted more than 100 kinases simultaneously, making it difficult to attribute their biological effects to any particular mode of action.

All drug profiles can be interactively explored in ProteomicsDB and a purpose-built shinyApp.

One of the key challenges to exploring interesting targets is having access to high quality molecular probes. A number of organisations have go together to support Chemical Probes Portal which provides information and independent reviews of chemical probes.

The Chemical Probes Portal is designed to change the way scientists find and use small-molecule reagents called chemical probes in biomedical research and drug discovery. The Portal is backed by reviews and commentary from recognised chemical probe experts. Our knowledge-dissemination model, focused on providing accessible expert advice, promises to increase research reproducibility, maximise investment outcomes and accelerate the discovery science that informs the next generation of therapeutic

Recently Boehringer Ingelheim have decided to provide access to a number of chemical probes.

To foster innovation, Boehringer Ingelheim (BI) is openly sharing selected molecules with the scientific community to unlock their full potential. There are two types of Boehringer Ingelheim molecules that you can access on this portal: some for ordering, some for collaboration.

These molecules cover a range of interesting molecular targets.

Target	ID
Aurora B inhibitor	BI 831266
Autotaxin (ATX) inhibitor	BI-2545
BCL6 degrader	BI-3802
BCL6 inhibitor	BI-3812
CCR1 antagonist	BI-9667
CCR10 antagonist	BI-6901
CDK8 inhibitor	BI-1347
FAS inhibitor	BI 99179
FLAP antagonist	BI 665915
Glucocorticoid Receptor (GR) Agonist	BI 653048
Hep. C virus (HCV) NS5B polymerase inhibitor	BI 207127 (Deleobuvir)
Hepatitis C virus (HCV) NS3 protease inhibitor	BI-1230
Hepatitis C virus (HCV) NS3 protease inhibitor	BI-1388
LFA-1 (lymphocyte function-associated antigen-1) antagonist	BI-1950
NHE1 inhibitor	BI-9627
PLK1 inhibitor	BI-2536
sEH inhibitor	BI-1935
SYK inhibitor	BI 1002494

Looking at the selective Aurora B kinase inhibitor BI 831266, it is clear that BI is making available high quality molecules, they provide the structure, in vitro activity, together with both in vitro and in vivo DMPK data in multiple species. They also suggest a related compound as a negative control in which the N-Me serves to block the critical hinge binding.

There is also a co-crystal structure and some counter-screening data, together with key references from the literature. Any data generated can be published without approval from BI.

This looks to be a very exciting initiative and it will be interesting to see if other companies follow suit.

They have also created a search engine BI Miner to search multiple data sources simultaneously (PubMed Central, Medline, Patents, Drug labels, Expression Data, NIH Grants, Clinical Trials), this open access.

Since the Drug Discovery Resources page on Distribution and Plasma Protein Binding is one of the most frequently read I thought I'd mention a publication from the Univ of Washington DOI describing an inexpensive Microdialysis Device for Measuring Drug–Protein Binding (DIYM).

The device is based on the standard equilibrium dialysis method to measure the fraction of low molecular weight compound bound to proteins. It is constructed from a standard polypropylene 96-well plate, dialysis tubing, and low viscosity epoxy resin. The device can be readily prepared for a small fraction of the cost of a commercial, multi-chamber, micro-dialysis device.

The results obtained agree favourably with literature values.

Compound	DIYM (%)	Lit (%)
Dextromethorphan	66.8	65
Diclofenac	98.0	99.5
Mefloquine	98.9	>98
Methotrexate	54.0	50.4
Paclitaxel	94.2	95
Progesterone	97.0	98
Propranolol	82.5	82
Testosterone	93.3	98

A new way to deplete endogenous proteins, Trim-Away a technique to degrade endogenous proteins acutely in mammalian cells without prior modification of the genome or mRNA. Trim-Away harnesses the cellular protein degradation machinery to remove unmodified native proteins within minutes of application.

We reasoned that the antibody receptor and ubiquitin ligase TRIM21 could be used as a tool to drive the degradation of endogenous proteins by using a 3-step strategy: first, the introduction of exogenous TRIM21; second, the introduction of an antibody against the protein of interest; and third, TRIM21-mediated ubiquitination followed by degradation of the antibody-bound protein of interest.

There is more information on the MRC website

I've added it to the Target Validation page.

The Nucleic Acid Research Database Issue is now available. Details of over 600 databases described in open access publications.

These databases cover a huge area of biological science, including:-

• Nucleic acid sequence, structure, and regulation
• Protein sequence and structure, motifs, and domains
• Metabolic and signalling pathways, enzymes
• Viruses, bacteria, protozoa and fungi
• Human genome, model organisms, comparative genomics
• Genomic variation, diseases, and drugs
• Plant databases

Update

I'm delighted to report that over 200 people have now watched the video online, looks like it was a valuable resource.

---

One of the nice things about my job is I get the chance to take part in some truly inspiring events. Last month I had the honour of chairing a session on Neglected and Tropical Diseases at the 19th Cambridge MedChem Meeting. In an effort of extend the exposure of the brilliant science undertaken in this important therapeutic area the conference organisers arranged for this to be a live webinar. The session was also recorded and is now available online.

https://youtu.be/XLOCFrjrMEY

This is a recording of the Neglected and Tropical Diseases Session at the 19th Cambridge MedChem Meeting, 11-13 September 2017. The speakers are Kelly Chibale (Univ of Capetown), Christoph Boss (Actelion), Rob Young (GlaxoSmithKline), Jonathan Large (LifeArc) and Charles Mowbray (DNDI).

Please feel free to share. #19thCamMedChem.

The Symposium on Medicinal Chemistry in Eastern England, known colloquially as the "Hatfield MedChem" meeting, is a highly successful, long-standing, one-day meeting which runs annually will be held 26 April 2018 09:30-17:00, Hatfield, United Kingdom

The Organising Committee are inviting abstract submissions for both oral and poster presentation. Please download an abstract template from the event website and return it the secretariat. Closing dates for submissions are:

24th November 2017 for oral abstracts
23rd February 2018 for poster abstract

I've updated the Target Identification/Validation page in the Drug Discovery Resources. In particular I've added a section on the failure to reproduce literature experiments.

Remember this is an absolutely critical step, almost everything else can be fixed.

I've just added a page on irreversible covalent inhibitors, this is just the first iteration I plan to add more when I have some spare time.

Whilst high-throughput screening (HTS) has been the starting point for many successful drug discovery programs the cost of screening, the accessibility of a large diverse sample collection, or throughput of the primary assay may preclude HTS as a starting point and identification of a smaller selection of compounds with a higher probability of being a hit may be desired. Directed or Virtual screening is a computational technique used in drug discovery research designed to identify potential hits for evaluation in primary assays. It involves the rapid in silico assessment of large libraries of chemical structures in order to identify those structures that most likely to be active against a drug target. The key question is then how many molecules do you select from your virtual screen?

The results of a virtual screening run are effectively a rank ordering of the virtual screening deck ordered by whatever scoring function(s) that have been used. The task then becomes selection of molecules for experimental determination of activity.

I posed this question on the website and the results are shown below. Whilst this obviously a limited snapshot it is interesting that there is a wide variety of responses.

I've included the results on the page on Selecting Compounds from a Virtual Screening Run.

WHO Europe is reporting the elimination of measles or rubella can be verified once a country has sustained interruption of endemic transmission for at least 36 months. The RVC verified that the following countries achieved elimination status as of 2016 for one or both diseases *:

• Denmark, Spain and the United Kingdom eliminated measles;
• The Republic of Moldova, Sweden and the former Yugoslav Republic of Macedonia eliminated rubella;
• Croatia, Greece, Iceland, Lithuania, Montenegro and Uzbekistan eliminated both measles and rubella.
• Spain and United Kingdom achieved elimination status for rubella as of 2015

This is another great success for the vaccination program with Measles no longer endemic in 79% of the WHO European Region

Full details here http://www.euro.who.int/en/media-centre/sections/press-releases/2017/measles-no-longer-endemic-in-79-of-the-who-european-region

I'm delighted to hear that CRUK and EPSRC are funding a scheme to encourage research collaborations between different disciplines.

Multidisciplinary Project Award supports collaborations between cancer researchers and scientists from engineering/physical science disciplines.

Applications should ideally include:

• a minimum of two PIs working in distinct scientific disciplines
• at least one PI working in cancer research at any career stage
• at least one PI from an engineering/physical science discipline at any career stage

Applications will be accepted from UK universities, research institutions, Cancer Research UK core-funded Institutes, medical schools and hospitals. The award is not required to be co-located and can be held across institutions in the UK, supporting roles from international and commercial organisations may also be included.

The Medici Effect, With a New Preface and Discussion Guide: What Elephants and Epidemics Can Teach Us About Innovation

The book is the basis for "The Medici Effect," a term coined by Johansson and used throughout various industries to describe innovation that happens when disciplines and ideas intersect.

This might go some way towards correcting the bias against interdisciplinary research

The UK Office of National Statistics has produced a fascinating interactive plot of the causes of death in the UK over the last 100 years.

I've captured a screenshot of the plots but I'd urge to go and have a look at the interactive plot on the website http://visual.ons.gov.uk/causes-of-death-over-100-years/.

What is very apparent is the impact the introduction of antibiotics had in the late 1940's, and the introduction of mass vaccinations, deaths due to infections have been virtually eliminated.

In men heart disease remains the major killer whilst in women it is breast cancer. Sadly among the young it looks like mental health issues are a major concern.

Nominations close on 31 October 2017

This Award was founded in 2002 in memory of the chemists Nigel Capps, Richard Green and Alex Zomaya to recognise outstanding contributions to medicinal or computational medicinal chemistry.

• Run biennially
• The winner receives £2000, a certificate and a medal
• The winner is invited to give the 'Capps Green Zomaya Memorial Lecture' at the East of England
• Medicinal Chemistry Symposium in April 2018
• The winner will be chosen by an independent panel of senior chemists, selected by the Committee of the RSC Biological and Medicinal Chemistry Sector (BMCS) and the Capps Green Zomaya Trust.

More details are here http://www.rsc.org/ScienceAndTechnology/Awards/CappsGreenZoyama/

Whilst high-throughput screening (HTS) has been the starting point for many successful drug discovery programs the cost of screening, the accessibility of a large diverse sample collection, or throughput of the primary assay may preclude HTS as a starting point and identification of a smaller selection of compounds with a higher probability of being a hit may be desired. Directed or Virtual screening is a computational technique used in drug discovery research designed to identify potential hits for evaluation in primary assays. It involves the rapid in silico assessment of large libraries of chemical structures in order to identify those structures that most likely to be active against a drug target. The key question is then how many molecules do you select from your virtual screen?

Whilst virtual screening is certainly less expensive than high-throughput screening it is not free, even an in house academic cluster has an overhead (probably equating to > $10,000 per virtual screen). So with that investment how much would you invest in actual compounds?

The 19th RSC / SCI Medicinal Chemistry Symposium (#19thCamMedChem) takes place 10th-13th September 2017 at Churchill College, Cambridge, UK. This biennial meeting is one of the highlights of the drug discover calendar. Each meeting we try to enhance the scientific programme and this time there will be a live webcast of one of the sessions.

New for 2017 - Live Webcast Session on Neglected Tropical Diseases
Tuesday, 12th September Afternoon (13-30pm start).
Session Chair: Chris Swain, Consultant, UK

Introduction to the Neglected Tropical Diseases (NTD) session
Kelly Chibale, University of Capetown, South Africa
PI4K inhibitors that target multiple life cycle stages of the human malaria parasite
Kelly Chibale, University of Capetown, South Africa
Discovery and characterization of ACT-451840: an antimalarial drug with a novel mechanism of action
Christoph Boss, Actelion, Switzerland

Refreshments and short film clips

Rapid discovery of non-covalent inhibitors of DprE1, a novel and exciting target to treat Mycobacterium tuberculosis: impact of medicinal chemistry on an open source collaboration
Rob Young, GlaxoSmithKline, UK
Potent, selective and orally efficacious inhibitors of Plasmodium falciparum Protein Kinase G (PfPKG)
Jon Large, LifeArc, UK
First disclosure of a new oral development candidate for the treatment of visceral and cutaneous leishmaniasis
Charlie Mowbray, DNDi (Drugs for Neglected Diseases initiative), Switzerland
Closing remarks for NTD session
Charlie Mowbray, DNDi, Switzerland

The meeting is now fully booked but we hope that scientists around the world will be able to watch the presentations live using this link

LiveStream.

Please feel free to share this link.

There is an article in Nature describing a collection of problems that have arisen from incorrect chemical structures in biological screens DOI. I'm slightly surprised that this is regarded as newsworthy, but I guess it serves as a timely reminder.

The data from screening campaigns invariably contains errors

• It is often a single point assay
• Quality and diversity of Sample Collection is variable
• Compounds may interfere with the detection system
• False positives due to aggregation
• High density plates can result in cross contamination, edge effects

There is a very simple mantra you should adopt when analysing screening data "Trust but verify".

• Check compounds that were found active against the selected target are re-tested using the same assay conditions used during the HTS.
• Does a resynthesised (not repurchased) show the same activity
• Dose response curve generation: an IC50 or EC50 value is then generated, does it have a reasonable slope? Uneffected by incubation time.
• Are related analogues available, check for genuine Structure-Activity Relationships

There is a strategy for the analysis of HTS data in the Drug Discovery Resources.

I see that John Emsley, author of the new book Molecules of Murder: Potential Poisons is at a book signing tonight https://twitter.com/RoySocChem/status/901054073440526340

If you can't make it, the books are available elsewhere. The ideal coffee table book.

I've spent the weekend updating the website to use https rather than http, this involved editing a fair number of of hardcoded URLs. Whilst I don't require any secure transactions it does seem that https offers a level of trust that is beneficial. It seems likely that other web browsers will follow Google's lead and have a popup message when accessing any page using http, I suspect this could rapidly become irritating so I've decided to make the move. You will still able to access using http but I'll be setting up redirects later this week. Hopefully the visitors will not really notice any difference.

If you want to edit your bookmarks here is the new link https://www.cambridgemedchemconsulting.com

 

When I first started on my career I was only to well aware that funding bodies would reject proposals for having "not enough chemistry" or "not enough biology" but I had hoped that by now it would be realised that multidisciplinary teams were key elements in bleeding edge science. However this recent paper suggests the problem still persists. Anyone who has been involved in drug discovery will understand the importance of interdisciplinary research

Point of View: Correcting the bias against interdisciplinary research DOI

When making decisions about funding and jobs the scientific community should recognise that most of the tools used to evaluate scientific excellence are biased in favour of established disciplines and against interdisciplinary research.

Scientists who leave the safe haven of their home discipline to explore the uncharted territory that lies outside and between established disciplines are often punished rather than rewarded for following their scientific curiosity

Perhaps all funding bodies should read this book

The Medici Effect, With a New Preface and Discussion Guide: What Elephants and Epidemics Can Teach Us About Innovation

The book is the basis for "The Medici Effect," a term coined by Johansson and used throughout various industries to describe innovation that happens when disciplines and ideas intersect.

The Medical Research Council (MRC) recently announced that it will provide funding for up to ten high throughput screening (HTS) projects a year to run within the AstraZeneca UK Centre for Lead Discovery. The centre is home to NiCoLa-B, the world’s the world's most advanced drug discovery robot. NiCoLa-B can test up to 300,000 compounds a day

Closing date is 27 Sept 2017

https://www.mrc.ac.uk/funding/browse/mrc-az-cld/mrc-astrazeneca-centre-for-lead-discovery/.

Further information on the collaboration with AstraZeneca

I've updated the pages describing virtual screening, in particular the docking section.

Nature have produced a very useful one page/poster http://www.nature.com/articles/nrdp201751 overview of Malaria giving an illustrated depiction of the mechanism, treatment and prevention options.

This is accompanied by a more detailed publication DOI giving a state-of-the-art overview.

Malaria is caused in humans by five species of single-celled eukaryotic Plasmodium parasites (mainly Plasmodium falciparum and Plasmodium vivax) that are transmitted by the bite of Anopheles spp. mosquitoes. Malaria remains one of the most serious infectious diseases; it threatens nearly half of the world's population and led to hundreds of thousands of deaths in 2015, predominantly among children in Africa. Malaria is managed through a combination of vector control approaches (such as insecticide spraying and the use of insecticide-treated bed nets) and drugs for both treatment and prevention. The widespread use of artemisinin-based combination therapies has contributed to substantial declines in the number of malaria-related deaths; however, the emergence of drug resistance threatens to reverse this progress. Advances in our understanding of the underlying molecular basis of pathogenesis have fuelled the development of new diagnostics, drugs and insecticides. Several new combination therapies are in clinical development that have efficacy against drug-resistant parasites and the potential to be used in single-dose regimens to improve compliance. This ambitious programme to eliminate malaria also includes new approaches that could yield malaria vaccines or novel vector control strategies. However, despite these achievements, a well-coordinated global effort on multiple fronts is needed if malaria elimination is to be achieved.

Malaria has been the subject of intensive research efforts and the image below shown the Medicines for Malaria Venture supported projects

Bioisosteres are an essential tool in the medicinal chemistry toolkit.

Bioisosteres are chemical substituents or groups with similar steric or electrostatic properties which produce broadly similar biological properties to another chemical compound.

Bioisosteres won't always give improved properties, and sometimes we find that a transformation that improves metabolic stability in one series might have the reverse effect in another. However they provide useful (literature precedented) starting points for structural transformations that allow exploration of structure activity relationships. Sometimes they yield similar activity but offer alternative structural vectors for exploration, sometimes they simply improve solubility.

I've now updated the bioisosteres section of the Drug Discovery Resources including new examples people have kindly sent to me.

Friday 8th December 2017, Department of Chemistry, University of Cambridge, Cambridge

Closing date for abstract submission is 15th September 2017

The Biological and Medicinal Chemistry Sector (BMCS) of the Royal Society of Chemistry will be hosting its 11th postgraduate symposium for PhD students and postdoctoral workers researching in biological or medicinal chemistry and related areas. The event will be held in the Department of Chemistry at the University of Cambridge on Friday 8th December 2017. Researchers working in these areas are invited to participate. Registration will start at 9:00 am with talks beginning at 10:00 am. The day will consist of 11 oral presentations (8 student and 3 keynote) plus a Flash Poster section. Each 20 minute student talk will be followed by 10 minutes for questions.

This is a fantastic meeting for anyone interested in medicinal chemistry and drug discovery, this event is FREE but all attendees should register as soon as possible and no later than the 1st December 2017.

I've made a few updates to the fragment-based screening approach to drug discovery pages.

Fragment Based Screening

Added a little on strategies for following the initial leads and also updated the details on drugs in the clinic discovered using fragment-based approaches.

Open Source Malaria (OSM) is aimed at finding new medicines for malaria using open source principles, embodied in the 6 Laws of Open Research. At the moment the majority of work involves the synthesis of analogs of compounds identified by big pharma, with the aim of improving their potency while making the molecules more "druggable", what is known as a "hit-to-lead" campaign. Medicinal chemists should head to the project summary, then the individual compound series page. The most active series at the moment is Series 4.

One of the key aims is to make the work instantly accessible but at the moment persuading search engines to index SMILES/InChI is proving a challenge. As a temporary fix I'm posting all the details here with a link to the original online spreadsheet.

Index of Open Source molecules from https://docs.google.com/spreadsheets/d/1Rvy6OiM291d1GNcyT6eSwC3lSuJ1jaR7AJa8hgGsc/edit#gid=510297618 9 July 2017

Worth reading, InChI in the wild: an assessment of InChIKey searching in Google DOI

OSM Number,Internal ID,PubChem CID,MMV ID,SMILES,InChI,IChI Key


OSM-A-1,,1233035,,O=C(/C(S/1)=C/C2=C(C)N(C(C)=C2)C3=CC=C(S(=O)(N)=O)C=C3)NC1=N\C4=CC=CC=C4,"InChI=1S/C22H20N4O3S2/c1-14-12-16(15(2)26(14)18-8-10-19(11-9-18)31(23,28)29)13-20-21(27)25-22(30-20)24-17-6-4-3-5-7-17/h3-13H,1-2H3,(H2,23,28,29)(H,24,25,27)/b20-13-",ODRSSOQWOHNABY-MOSHPQCFSA-N
OSM-A-10,,,,O=C([H])C1=C(C)N(C(C)=C1)C2=CC(OC)=CC=C2,"InChI=1S/C14H15NO2/c1-10-7-12(9-16)11(2)15(10)13-5-4-6-14(8-13)17-3/h4-9H,1-3H3",XTPVHYRCFNPCRL-UHFFFAOYSA-N
OSM-A-11,,,,IC1=CC=C(N2C(C)=CC=C2C)C=C1,"InChI=1S/C12H12IN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3",CLGKGHWNVMDYQB-UHFFFAOYSA-N
OSM-A-12,,,,IC1=CC=C(N2C(C)=CC(C([H])=O)=C2C)C=C1,"InChI=1S/C13H12INO/c1-9-7-11(8-16)10(2)15(9)13-5-3-12(14)4-6-13/h3-8H,1-2H3",SSNYMKCLPCTDEB-UHFFFAOYSA-N
OSM-A-2,,,,O=C(/C(S/1)=C/C2=C(C)N(C(C)=C2)C3=CC=C(C#N)C=C3)NC1=N\C4=CC=CC=C4,"InChI=1S/C23H18N4OS/c1-15-12-18(16(2)27(15)20-10-8-17(14-24)9-11-20)13-21-22(28)26-23(29-21)25-19-6-4-3-5-7-19/h3-13H,1-2H3,(H,25,26,28)/b21-13-",LXPLFPVISCVJSC-BKUYFWCQSA-N
OSM-A-3,,,,O=C(/C(S/1)=C/C2=C(C)N(C(C)=C2)C3=CC(OC)=CC=C3)NC1=N\C4=CC=CC=C4,"InChI=1S/C23H21N3O2S/c1-15-12-17(16(2)26(15)19-10-7-11-20(14-19)28-3)13-21-22(27)25-23(29-21)24-18-8-5-4-6-9-18/h4-14H,1-3H3,(H,24,25,27)/b21-13-",QRGVMORNNJFJKZ-BKUYFWCQSA-N
OSM-A-4,,,,O=C(/C(S/1)=C/C2=C(C)N(C(C)=C2)C3=CC=C(I)C=C3)NC1=N\C4=CC=CC=C4,"InChI=1S/C22H18IN3OS/c1-14-12-16(15(2)26(14)19-10-8-17(23)9-11-19)13-20-21(27)25-22(28-20)24-18-6-4-3-5-7-18/h3-13H,1-2H3,(H,24,25,27)/b20-13-",LZWDTKNFRNEIKZ-MOSHPQCFSA-N
OSM-A-5,,,,CC1=CC=C(C)N1C2=CC=C(S(=O)(N)=O)C=C2,"InChI=1S/C12H14N2O2S/c1-9-3-4-10(2)14(9)11-5-7-12(8-6-11)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)",STHWURXTZRCILS-UHFFFAOYSA-N
OSM-A-6,,,,O=C([H])C1=C(C)N(C(C)=C1)C2=CC=C(S(N)=O)C=C2,"InChI=1S/C13H14N2O2S/c1-9-7-11(8-16)10(2)15(9)12-3-5-13(6-4-12)18(14)17/h3-8H,14H2,1-2H3",JYZXFZAZSQBBQH-UHFFFAOYSA-N
OSM-A-7,,,,CC1=CC=C(C)N1C2=CC=C(C#N)C=C2,"InChI=1S/C13H12N2/c1-10-3-4-11(2)15(10)13-7-5-12(9-14)6-8-13/h3-8H,1-2H3",FNDFKQYZEDOHRC-UHFFFAOYSA-N
OSM-A-8,,,,O=C([H])C1=C(C)N(C(C)=C1)C2=CC=C(C#N)C=C2,"InChI=1S/C14H12N2O/c1-10-7-13(9-17)11(2)16(10)14-5-3-12(8-15)4-6-14/h3-7,9H,1-2H3",AZYQCNIOZJETFM-UHFFFAOYSA-N
OSM-A-9,,,,CC1=CC=C(C)N1C2=CC(OC)=CC=C2,"InChI=1S/C13H15NO/c1-10-7-8-11(2)14(10)12-5-4-6-13(9-12)15-3/h4-9H,1-3H3",GVGRVGMGPYDHOB-UHFFFAOYSA-N
OSM-E-1,PT-1-10 ,57519183,,FC1=CC=C(N2C(C)=CC(S(N(C)CC(N)=O)(=O)=O)=C2C)C=C1,"InChI=1S/C15H18FN3O3S/c1-10-8-14(23(21,22)18(3)9-15(17)20)11(2)19(10)13-6-4-12(16)5-7-13/h4-8H,9H2,1-3H3,(H2,17,20)",KRDORFFFZGUMFF-UHFFFAOYSA-N
OSM-E-10,PT-1-6; PT-1-7; PT-1-8; PT-1-9,,,FC1=CC=C(N2C(C)=CC(S(N(C)CC(OC)=O)(=O)=O)=C2C)C=C1,"InChI=1S/C16H19FN2O4S/c1-11-9-15(24(21,22)18(3)10-16(20)23-4)12(2)19(11)14-7-5-13(17)6-8-14/h5-9H,10H2,1-4H3",LIADENKDGVSTCO-UHFFFAOYSA-N
OSM-E-11,PT-1-11,,,FC1=CC=C(N2C(C)=CC(S(N([H])CC(OC)=O)(=O)=O)=C2C)C=C1,"InChI=1S/C15H17FN2O4S/c1-10-8-14(23(20,21)17-9-15(19)22-3)11(2)18(10)13-6-4-12(16)5-7-13/h4-8,17H,9H2,1-3H3",MAMSLIRHTVGOCI-UHFFFAOYSA-N
OSM-E-12,PT-1-4,,,FC1=CC=C(N2C(C)=CC(S([O-])(=O)=O)=C2C)C=C1.[H][N+]3=CC=CC=C3,"InChI=1S/C12H12FNO3S.C5H5N/c1-8-7-12(18(15,16)17)9(2)14(8)11-5-3-10(13)4-6-11;1-2-4-6-5-3-1/h3-7H,1-2H3,(H,15,16,17);1-5H",GVWFBFKDWILLTG-UHFFFAOYSA-N
OSM-E-13,PT-1-3,,,FC1=CC=C(N2C(C)=C(S(N(CC(OC)=O)C)(=O)=O)C(S(N(C)CC(OC)=O)(=O)=O)=C2C)C=C1,"InChI=1S/C20H26FN3O8S2/c1-13-19(33(27,28)22(3)11-17(25)31-5)20(34(29,30)23(4)12-18(26)32-6)14(2)24(13)16-9-7-15(21)8-10-16/h7-10H,11-12H2,1-6H3",HLULFYCSKNZRBP-UHFFFAOYSA-N
OSM-E-14,PT-1-13,10877131,,O=C(OC)COCC#C,"InChI=1S/C6H8O3/c1-3-4-9-5-6(7)8-2/h1H,4-5H2,2H3",AIQJXQPQNMKDGJ-UHFFFAOYSA-N
OSM-E-2,PT-1-12,,,FC1=CC=C(N2C(C)=CC(S(NCC(N)=O)(=O)=O)=C2C)C=C1,"InChI=1S/C14H16FN3O3S/c1-9-7-13(22(20,21)17-8-14(16)19)10(2)18(9)12-5-3-11(15)4-6-12/h3-7,17H,8H2,1-2H3,(H2,16,19)",RMHRPTFDPMUFGU-UHFFFAOYSA-N
OSM-E-3,PT-1-5,,,FC1=CC=C(N2C(C)=C(S(N(CC(N)=O)C)(=O)=O)C(S(N(C)CC(N)=O)(=O)=O)=C2C)C=C1,"InChI=1S/C18H24FN5O6S2/c1-11-17(31(27,28)22(3)9-15(20)25)18(32(29,30)23(4)10-16(21)26)12(2)24(11)14-7-5-13(19)6-8-14/h5-8H,9-10H2,1-4H3,(H2,20,25)(H2,21,26)",TZMPVBDMPWKREJ-UHFFFAOYSA-N
OSM-E-4,PT-1-14-C1,,,FC1=CC=C(N2N=NC(COC(CBr)=O)=C2)C=C1,"InChI=1S/C11H9BrFN3O2/c12-5-11(17)18-7-9-6-16(15-14-9)10-3-1-8(13)2-4-10/h1-4,6H,5,7H2",UNGOTBWYUGGCJU-UHFFFAOYSA-N
OSM-E-5,PT-1-14-C2,,,FC1=CC=C(N2N=NC(COCC(OCC)=O)=C2)C=C1,"InChI=1S/C13H14FN3O3/c1-2-20-13(18)9-19-8-11-7-17(16-15-11)12-5-3-10(14)4-6-12/h3-7H,2,8-9H2,1H3",OAQNGCWJHOFYIG-UHFFFAOYSA-N
OSM-E-6,PT-1-14-C3,,,FC1=CC=C(N2N=NC(COCC(OC)=O)=C2)C=C1,"InChI=1S/C12H12FN3O3/c1-18-12(17)8-19-7-10-6-16(15-14-10)11-4-2-9(13)3-5-11/h2-6H,7-8H2,1H3",MXCBYXCXBDMCMO-UHFFFAOYSA-N
OSM-E-7,PT-1-14-C4,,,FC1=CC=C(N2N=NC(COCC(OCC3=CN(C4=CC=C(F)C=C4)N=N3)=O)=C2)C=C1,"InChI=1S/C20H16F2N6O3/c21-14-1-5-18(6-2-14)27-9-16(23-25-27)11-30-13-20(29)31-12-17-10-28(26-24-17)19-7-3-15(22)4-8-19/h1-10H,11-13H2",CWJPLXSSRWVEAF-UHFFFAOYSA-N
OSM-E-8,PT-1-15,,,FC1=CC=C(N2N=NC(COCC(N)=O)=C2)C=C1,"InChI=1S/C11H11FN4O2/c12-8-1-3-10(4-2-8)16-5-9(14-15-16)6-18-7-11(13)17/h1-5H,6-7H2,(H2,13,17)",XMSVYANCVZPQJL-UHFFFAOYSA-N
OSM-E-9,PT-1-9; PMY54,,,FC1=CC=C(N2C(C)=CC(S(Cl)(=O)=O)=C2C)C=C1,"InChI=1S/C12H11ClFNO2S/c1-8-7-12(18(13,16)17)9(2)15(8)11-5-3-10(14)4-6-11/h3-7H,1-2H3",MZWDVJVLEJEILM-UHFFFAOYSA-N
OSM-L-1,SBBH-1-9,,,CC(N1C2=CC(F)=CC=C2)=CC(/C=C(C(N/3C4=CC=CC=C4)=O)\SC3=N/C5=CC=CC=C5)=C1C,"InChI=1S/C28H22FN3OS/c1-19-16-21(20(2)31(19)25-15-9-10-22(29)18-25)17-26-27(33)32(24-13-7-4-8-14-24)28(34-26)30-23-11-5-3-6-12-23/h3-18H,1-2H3/b26-17-,30-28-",URZLHIHAUACTCO-DUPRQXJUSA-N
OSM-L-2,SBHK-516,,,O=C(OCC#N)C1=C(C)N(N=C1)C2=CC=CC=C2,"InChI=1S/C13H11N3O2/c1-10-12(13(17)18-8-7-14)9-15-16(10)11-5-3-2-4-6-11/h2-6,9H,8H2,1H3",LVOFSOINGBOZCK-UHFFFAOYSA-N
OSM-S-1,PMY1; AEW1; PT1; MD22,3145454,,FC1=CC=C(N2C(C)=CC=C2C)C=C1,"InChI=1S/C12H12FN/c1-9-3-4-10(2)14(9)12-7-5-11(13)6-8-12/h3-8H,1-2H3",AIWFQKZWZOYVMK-UHFFFAOYSA-N
OSM-S-10,PMY14-3-A; AEW80,1228983,MMV689017,FC1=CC=C(N2C(C)=CC(/C=C3S/C(NC\3=O)=N\C4=CC=CC=C4)=C2C)C=C1,"InChI=1S/C22H18FN3OS/c1-14-12-16(15(2)26(14)19-10-8-17(23)9-11-19)13-20-21(27)25-22(28-20)24-18-6-4-3-5-7-18/h3-13H,1-2H3,(H,24,25,27)/b20-13-",IMCPBTMVWRMBHR-MOSHPQCFSA-N
OSM-S-100,AEW73; MD18,71450943,,FC1=CC=C(N2C(C)=CC(C(OC(C)C(O)=O)=O)=C2C)C=C1,"InChI=1S/C16H16FNO4/c1-9-8-14(16(21)22-11(3)15(19)20)10(2)18(9)13-6-4-12(17)5-7-13/h4-8,11H,1-3H3,(H,19,20)",CLQCMRDHQCCPEN-UHFFFAOYSA-N
OSM-S-101,PMY59,71459966,,FC1=CC=C(N2C(C)=CC(C3=NC(C(O)=O)=CO3)=C2C)C=C1,"InChI=1S/C16H13FN2O3/c1-9-7-13(15-18-14(8-22-15)16(20)21)10(2)19(9)12-5-3-11(17)4-6-12/h3-8H,1-2H3,(H,20,21)",PZPDUGQJGPKVEM-UHFFFAOYSA-N
OSM-S-102,MNR53,71461679,,FC1=CC=C(N2C(C)=CC(C(CCC(NC)=O)=O)=C2C)C=C1,"InChI=1S/C17H19FN2O2/c1-11-10-15(16(21)8-9-17(22)19-3)12(2)20(11)14-6-4-13(18)5-7-14/h4-7,10H,8-9H2,1-3H3,(H,19,22)",NTSUYUWERKMXIY-UHFFFAOYSA-N
OSM-S-103,MNR54,71452751,,CC(N1C2=CC=C(F)C=C2)=C(C(CCC(N)=O)=O)C=C1C,"InChI=1S/C16H17FN2O2/c1-10-9-14(15(20)7-8-16(18)21)11(2)19(10)13-5-3-12(17)4-6-13/h3-6,9H,7-8H2,1-2H3,(H2,18,21)",IUFWRPRMBNNROV-UHFFFAOYSA-N
OSM-S-104,MNR55,71450944,,FC1=CC=C(N2N=CC(C3=NC(C(O)=O)=CO3)=C2C)C=C1,"InChI=1S/C14H10FN3O3/c1-8-11(13-17-12(7-21-13)14(19)20)6-16-18(8)10-4-2-9(15)3-5-10/h2-7H,1H3,(H,19,20)",WPAXFMQFJQZBFD-UHFFFAOYSA-N
OSM-S-105,MNR56,57519185,,FC1=CC=C(N2N=CC(C3=NC(C(N)=O)=CO3)=C2C)C=C1,"InChI=1S/C14H11FN4O2/c1-8-11(14-18-12(7-21-14)13(16)20)6-17-19(8)10-4-2-9(15)3-5-10/h2-7H,1H3,(H2,16,20)",JODCOGVLCRBBMU-UHFFFAOYSA-N
OSM-S-106,,44528665,,NC1=C2C(C=C(C3=CC(S(N)(=O)=O)=CC=C3)S2)=NC=N1,"InChI=1S/C12H10N4O2S2/c13-12-11-9(15-6-16-12)5-10(19-11)7-2-1-3-8(4-7)20(14,17)18/h1-6H,(H2,13,15,16)(H2,14,17,18)",MQMXDJVOZKMSNT-UHFFFAOYSA-N
OSM-S-107,,,,FC(C=C1)=CC=C1CN(CC2)CCN2C3=C4C(C=CS4)=NC=N3,"InChI=1S/C17H17FN4S/c18-14-3-1-13(2-4-14)11-21-6-8-22(9-7-21)17-16-15(5-10-23-16)19-12-20-17/h1-5,10,12H,6-9,11H2",HYCIFMXWGMZZSB-UHFFFAOYSA-N
OSM-S-108,AEW34,,,O=C(/C(S/1)=C/C2=C(C)NC(C)=C2)NC1=N\C3=CC=CC=C3,"InChI=1S/C16H15N3OS/c1-10-8-12(11(2)17-10)9-14-15(20)19-16(21-14)18-13-6-4-3-5-7-13/h3-9,17H,1-2H3,(H,18,19,20)/b14-9-",RARJKBCELXYZBB-ZROIWOOFSA-N
OSM-S-109,MNR82,,,O=C(/C(S/1)=C/C2=C(C)N(C3=CC=C([N+]([O-])=O)C=C3)C(C)=C2)NC1=N\C4=CC=CC=C4,"InChI=1S/C22H18N4O3S/c1-14-12-16(15(2)25(14)18-8-10-19(11-9-18)26(28)29)13-20-21(27)24-22(30-20)23-17-6-4-3-5-7-17/h3-13H,1-2H3,(H,23,24,27)/b20-13-",CHHZBZWZMLCOEW-MOSHPQCFSA-N
OSM-S-11,PMY15; PMY18; AEW3; MNR97,894104,,FC1=CC=C(N2C(C)=C(CO)C=C2C)C=C1,"InChI=1S/C13H14FNO/c1-9-7-11(8-16)10(2)15(9)13-5-3-12(14)4-6-13/h3-7,16H,8H2,1-2H3",RXDPKDMALDFFCU-UHFFFAOYSA-N
OSM-S-110,MNR83,,,O=C(/C(S/1)=C/C2=C(C)N(C3=CC=C([N+]([O-])=O)C=C3)C(C)=C2)NC1=N\C4=CC(O)=CC=C4,"InChI=1S/C22H18N4O4S/c1-13-10-15(14(2)25(13)17-6-8-18(9-7-17)26(29)30)11-20-21(28)24-22(31-20)23-16-4-3-5-19(27)12-16/h3-12,27H,1-2H3,(H,23,24,28)/b20-11-",NAHYEQMJTBIJRP-JAIQZWGSSA-N
OSM-S-111,MNR84,,,O=C(/C(S/1)=C/C2=C(C)N(C3=CC=C(OC)C=C3)C(C)=C2)NC1=N\C4=CC=CC=C4,"InChI=1S/C23H21N3O2S/c1-15-13-17(16(2)26(15)19-9-11-20(28-3)12-10-19)14-21-22(27)25-23(29-21)24-18-7-5-4-6-8-18/h4-14H,1-3H3,(H,24,25,27)/b21-14-",KXIVXNPEYYNDHE-STZFKDTASA-N
OSM-S-112,MNR85,,,O=C(/C(S/1)=C/C2=C(C)N(C3=CC=C(OC)C=C3)C(C)=C2)NC1=N\C4=CC(O)=CC=C4,"InChI=1S/C23H21N3O3S/c1-14-11-16(15(2)26(14)18-7-9-20(29-3)10-8-18)12-21-22(28)25-23(30-21)24-17-5-4-6-19(27)13-17/h4-13,27H,1-3H3,(H,24,25,28)/b21-12-",RTYHWQWUZGEAOW-MTJSOVHGSA-N
OSM-S-113,MNR92,,,O=C(/C(S/1)=C/C2=C(C)N(C3=CC=CC=N3)C(C)=C2)NC1=N\C4=CC=C(O)C=C4,"InChI=1S/C21H18N4O2S/c1-13-11-15(14(2)25(13)19-5-3-4-10-22-19)12-18-20(27)24-21(28-18)23-16-6-8-17(26)9-7-16/h3-12,26H,1-2H3,(H,23,24,27)/b18-12-",QZBWTSAVUQHJPY-PDGQHHTCSA-N
OSM-S-114,MNR94,,,O=C(/C(S/1)=C/C2=C(C)N(C3=CC=CC=C3)C(C)=C2)NC1=N\C4=CC(O)=CC=C4,"InChI=1S/C22H19N3O2S/c1-14-11-16(15(2)25(14)18-8-4-3-5-9-18)12-20-21(27)24-22(28-20)23-17-7-6-10-19(26)13-17/h3-13,26H,1-2H3,(H,23,24,27)/b20-12-",ASANPQFHMMSZFH-NDENLUEZSA-N
OSM-S-115,MNR95,,,O=C(/C(S/1)=C/C2=C(C)N(C3=CC=CC=C3)C(C)=C2)NC1=N\C4=CC=C(O)C=C4,"InChI=1S/C22H19N3O2S/c1-14-12-16(15(2)25(14)18-6-4-3-5-7-18)13-20-21(27)24-22(28-20)23-17-8-10-19(26)11-9-17/h3-13,26H,1-2H3,(H,23,24,27)/b20-13-",OIEJMTDGFAFKDZ-MOSHPQCFSA-N
OSM-S-116,AEW77,6915212,,CC(N1C2=CC=C(F)C=C2)=C(C(OC(C)C(N)=O)=O)C=C1C,"InChI=1S/C16H17FN2O3/c1-9-8-14(16(21)22-11(3)15(18)20)10(2)19(9)13-6-4-12(17)5-7-13/h4-8,11H,1-3H3,(H2,18,20)",JKLVGXNSTVWIID-UHFFFAOYSA-N
OSM-S-117 (DUPLICATE OF OSM-S-64),,,,,,
OSM-S-118,,,,C12=NC=NC(C3=CC=CC=C3)=C1SC=C2,InChI=1S/C12H8N2S/c1-2-4-9(5-3-1)11-12-10(6-7-15-12)13-8-14-11/h1-8H,ROUKINVYJAEUCD-UHFFFAOYSA-N
OSM-S-119,,,,BrC1=C(Br)C2=NC=NC(C3=CC=CC=C3)=C2S1,InChI=1S/C12H6Br2N2S/c13-8-10-11(17-12(8)14)9(15-6-16-10)7-4-2-1-3-5-7/h1-6H,MHSGERTZTNZZKP-UHFFFAOYSA-N
OSM-S-12,PMY20,292955,,CC(N1C2=CC=CC=C2)=CC(C(O)=O)=C1C,"InChI=1S/C13H13NO2/c1-9-8-12(13(15)16)10(2)14(9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16)",CIRVCSCFJALBOH-UHFFFAOYSA-N
OSM-S-120,,,,BrC1=CC2=NC=NC(C3=CC=CC=C3)=C2S1,InChI=1S/C12H7BrN2S/c13-10-6-9-12(16-10)11(15-7-14-9)8-4-2-1-3-5-8/h1-7H,TUFQXFIDQNLCGQ-UHFFFAOYSA-N
OSM-S-121,,,,ClC1=C2C(C=C(Br)S2)=NC=N1,InChI=1S/C6H2BrClN2S/c7-4-1-3-5(11-4)6(8)10-2-9-3/h1-2H,RJKAKJGOZXERRE-UHFFFAOYSA-N
OSM-S-122,,,,C12=NC=NC(C3=CC=CC=C3)=C1SC(C4=CC=CC=C4)=C2,InChI=1S/C18H12N2S/c1-3-7-13(8-4-1)16-11-15-18(21-16)17(20-12-19-15)14-9-5-2-6-10-14/h1-12H,QDXZKUSOZDDGPU-UHFFFAOYSA-N
OSM-S-123,,,,NC1=C2C(C=C(C3=CC=CC=C3)S2)=NC=N1,"InChI=1S/C12H9N3S/c13-12-11-9(14-7-15-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15)",WQVHTLKGGYMXIO-UHFFFAOYSA-N
OSM-S-124,,,,COC(C=C1)=CC=C1C2=CC3=NC=NC(N4CCOCC4)=C3S2,"InChI=1S/C17H17N3O2S/c1-21-13-4-2-12(3-5-13)15-10-14-16(23-15)17(19-11-18-14)20-6-8-22-9-7-20/h2-5,10-11H,6-9H2,1H3",LPCKDTSEWUTBJN-UHFFFAOYSA-N
OSM-S-125,,,,BrC1=CC2=NC=NC(N3CCOCC3)=C2S1,"InChI=1S/C10H10BrN3OS/c11-8-5-7-9(16-8)10(13-6-12-7)14-1-3-15-4-2-14/h5-6H,1-4H2",WUXPEHRGQLOSNM-UHFFFAOYSA-N
OSM-S-126,,,,C12=NC=NC(N3CCOCC3)=C1SC(C4=CC=CC=C4)=C2,"InChI=1S/C16H15N3OS/c1-2-4-12(5-3-1)14-10-13-15(21-14)16(18-11-17-13)19-6-8-20-9-7-19/h1-5,10-11H,6-9H2",LBOQIBFHJGJRTG-UHFFFAOYSA-N
OSM-S-127,,,,NS(C1=CC(C2=CC3=NC=NC(N4CCOCC4)=C3S2)=CC=C1)(=O)=O,"InChI=1S/C16H16N4O3S2/c17-25(21,22)12-3-1-2-11(8-12)14-9-13-15(24-14)16(19-10-18-13)20-4-6-23-7-5-20/h1-3,8-10H,4-7H2,(H2,17,21,22)",MDGVTZLJAVLGJP-UHFFFAOYSA-N
OSM-S-128,,,,NC1=C2C(C=C(C3=CC=C(C(C)(C)C)C=C3)S2)=NC=N1,"InChI=1S/C16H17N3S/c1-16(2,3)11-6-4-10(5-7-11)13-8-12-14(20-13)15(17)19-9-18-12/h4-9H,1-3H3,(H2,17,18,19)",KLCMSKCOVXKOMY-UHFFFAOYSA-N
OSM-S-129,,,,NC1=C2C(C=C(C3=CC=C(S(N)(=O)=O)C=C3)S2)=NC=N1,"InChI=1S/C12H10N4O2S2/c13-12-11-9(15-6-16-12)5-10(19-11)7-1-3-8(4-2-7)20(14,17)18/h1-6H,(H2,13,15,16)(H2,14,17,18)",NPCFGALHIPAZAV-UHFFFAOYSA-N
OSM-S-13,PMY21,757547,,CC1=CC=C(N2C(C)=C(C(O)=O)C=C2C)C=C1,"InChI=1S/C14H15NO2/c1-9-4-6-12(7-5-9)15-10(2)8-13(11(15)3)14(16)17/h4-8H,1-3H3,(H,16,17)",YNFCEUIZSXIFCE-UHFFFAOYSA-N
OSM-S-130,,,,NC1=C2C(C=C(C3=CC=C(C(N(C)C)=O)C=C3)S2)=NC=N1,"InChI=1S/C15H14N4OS/c1-19(2)15(20)10-5-3-9(4-6-10)12-7-11-13(21-12)14(16)18-8-17-11/h3-8H,1-2H3,(H2,16,17,18)",XJSSUNQWKKUSSC-UHFFFAOYSA-N
OSM-S-131,,,,NC1=C2C(C=C(C3=CC=C(OC)C=C3)S2)=NC=N1,"InChI=1S/C13H11N3OS/c1-17-9-4-2-8(3-5-9)11-6-10-12(18-11)13(14)16-7-15-10/h2-7H,1H3,(H2,14,15,16)",DRUQZXVTFOTIEO-UHFFFAOYSA-N
OSM-S-132,,,,NC1=C2C(C=C(C3=CC=C(C(N4CCOCC4)=O)C=C3)S2)=NC=N1,"InChI=1S/C17H16N4O2S/c18-16-15-13(19-10-20-16)9-14(24-15)11-1-3-12(4-2-11)17(22)21-5-7-23-8-6-21/h1-4,9-10H,5-8H2,(H2,18,19,20)",KOSDTDDFEYEHDU-UHFFFAOYSA-N
OSM-S-133,,,,NC1=C2C(C=C(C3=CC=CC(C(N(C)C)=O)=C3)S2)=NC=N1,"InChI=1S/C15H14N4OS/c1-19(2)15(20)10-5-3-4-9(6-10)12-7-11-13(21-12)14(16)18-8-17-11/h3-8H,1-2H3,(H2,16,17,18)",UZIAJWZVDQPKFB-UHFFFAOYSA-N
OSM-S-134,,,,NC1=C2C(C=C(C3=CC=C(C(N4CCN(C)CC4)=O)C=C3)S2)=NC=N1,"InChI=1S/C18H19N5OS/c1-22-6-8-23(9-7-22)18(24)13-4-2-12(3-5-13)15-10-14-16(25-15)17(19)21-11-20-14/h2-5,10-11H,6-9H2,1H3,(H2,19,20,21)",OUPUOWHKLRDGOE-UHFFFAOYSA-N
OSM-S-135,,,,NC1=C2C(C=C(C3=CC=CC(C(N)=O)=C3)S2)=NC=N1,"InChI=1S/C13H10N4OS/c14-12-11-9(16-6-17-12)5-10(19-11)7-2-1-3-8(4-7)13(15)18/h1-6H,(H2,15,18)(H2,14,16,17)",YWVZUIYPEKTRTJ-UHFFFAOYSA-N
OSM-S-136,,,,BrC1=CC2=NC=NC(N3CCN(CC4=CC=C(F)C=C4)CC3)=C2S1,"InChI=1S/C17H16BrFN4S/c18-15-9-14-16(24-15)17(21-11-20-14)23-7-5-22(6-8-23)10-12-1-3-13(19)4-2-12/h1-4,9,11H,5-8,10H2",DQEWYYDIDSUSJB-UHFFFAOYSA-N
OSM-S-137,,,,FC(C=C1)=CC=C1CN(CC2)CCN2C3=C4C(C=C(C5=CC=CC(S(N)(=O)=O)=C5)S4)=NC=N3,"InChI=1S/C23H22FN5O2S2/c24-18-6-4-16(5-7-18)14-28-8-10-29(11-9-28)23-22-20(26-15-27-23)13-21(32-22)17-2-1-3-19(12-17)33(25,30)31/h1-7,12-13,15H,8-11,14H2,(H2,25,30,31)",OWXZZWFFXSEZNL-UHFFFAOYSA-N
OSM-S-138,MNR121,,,CC1=CC(/C=C(S/2)/C(NC2=N\C3=CC=CC=C3)=O)=C(C)N1C4=CC=C(N)C=C4,"InChI=1S/C22H20N4OS/c1-14-12-16(15(2)26(14)19-10-8-17(23)9-11-19)13-20-21(27)25-22(28-20)24-18-6-4-3-5-7-18/h3-13H,23H2,1-2H3,(H,24,25,27)/b20-13-",HRLJSVOIZGABSH-MOSHPQCFSA-N
OSM-S-139,,,,BrC1=CC2=NC=NC(N)=C2S1,"InChI=1S/C6H4BrN3S/c7-4-1-3-5(11-4)6(8)10-2-9-3/h1-2H,(H2,8,9,10)",VKZWSZNMIMJBJX-UHFFFAOYSA-N
OSM-S-14,PMY22,18179364,,CC(N1C2=CC=C(C(F)(F)F)C=C2)=CC(C(O)=O)=C1C,"InChI=1S/C14H12F3NO2/c1-8-7-12(13(19)20)9(2)18(8)11-5-3-10(4-6-11)14(15,16)17/h3-7H,1-2H3,(H,19,20)",LVAKCYJWXASSHB-UHFFFAOYSA-N
OSM-S-140,,,,BrC1=CC2=NC=NC(NN)=C2S1,"InChI=1S/C6H5BrN4S/c7-4-1-3-5(12-4)6(11-8)10-2-9-3/h1-2H,8H2,(H,9,10,11)",KWCMTNUZOMHMJQ-UHFFFAOYSA-N
OSM-S-141,,,,CN(C)C1=C2C(C=CS2)=NC=N1,"InChI=1S/C8H9N3S/c1-11(2)8-7-6(3-4-12-7)9-5-10-8/h3-5H,1-2H3",AXPZJYARDJLZHH-UHFFFAOYSA-N
OSM-S-142,,,,NC1=C2C(C=C(C3=CC(C(N4CCN(C)CC4)=O)=CC=C3)S2)=NC=N1,"InChI=1S/C18H19N5OS/c1-22-5-7-23(8-6-22)18(24)13-4-2-3-12(9-13)15-10-14-16(25-15)17(19)21-11-20-14/h2-4,9-11H,5-8H2,1H3,(H2,19,20,21)",USHWEAINWXCOHP-UHFFFAOYSA-N
OSM-S-143,,,,ClC1=C2C(C=C(C3=CC(S(N)(=O)=O)=CC=C3)S2)=NC=N1,"InChI=1S/C12H8ClN3O2S2/c13-12-11-9(15-6-16-12)5-10(19-11)7-2-1-3-8(4-7)20(14,17)18/h1-6H,(H2,14,17,18)",WDYQLTAMDQFUGG-UHFFFAOYSA-N
OSM-S-144,,,,NS(C1=CC=CC(C2=CC3=NC=NC(OCCN(C)C)=C3S2)=C1)(=O)=O,"InChI=1S/C16H18N4O3S2/c1-20(2)6-7-23-16-15-13(18-10-19-16)9-14(24-15)11-4-3-5-12(8-11)25(17,21)22/h3-5,8-10H,6-7H2,1-2H3,(H2,17,21,22)",WBVWEEAUMTUSGX-UHFFFAOYSA-N
OSM-S-145,,,,NS(C1=CC=CC(C2=CC3=NC=NC(N(C)C)=C3S2)=C1)(=O)=O,"InChI=1S/C14H14N4O2S2/c1-18(2)14-13-11(16-8-17-14)7-12(21-13)9-4-3-5-10(6-9)22(15,19)20/h3-8H,1-2H3,(H2,15,19,20)",CGTVWFYTOADSRO-UHFFFAOYSA-N
OSM-S-146,,,,CC(C(C)(C)O1)(C)OB1C2=CC(S(NC(OC(C)(C)C)=O)(=O)=O)=CC=C2,"InChI=1S/C17H26BNO6S/c1-15(2,3)23-14(20)19-26(21,22)13-10-8-9-12(11-13)18-24-16(4,5)17(6,7)25-18/h8-11H,1-7H3,(H,19,20)",MSQKEIBBVCULRN-UHFFFAOYSA-N
OSM-S-147,,,,O=C(OC)C1=NC=CN=C1,"InChI=1S/C6H6N2O2/c1-10-6(9)5-4-7-2-3-8-5/h2-4H,1H3",TWIIRMSFZNYMQE-UHFFFAOYSA-N
OSM-S-148,,,,O=C(OC)C1=NC=C[N+]([O-])=C1,"InChI=1S/C6H6N2O3/c1-11-6(9)5-4-8(10)3-2-7-5/h2-4H,1H3",ZTAQCRRTNOJVIU-UHFFFAOYSA-N
OSM-S-149,,,,O=C(OC)C1=NC(Cl)=CN=C1,"InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-8-3-5(7)9-4/h2-3H,1H3",MVVYUJFEXRODQA-UHFFFAOYSA-N
OSM-S-15,PMY26,464,,O=C(C1=CC=CC=C1)NCC(O)=O,"InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)",QIAFMBKCNZACKA-UHFFFAOYSA-N
OSM-S-150,,,,OC(C1=NC(Cl)=CN=C1)=O,"InChI=1S/C5H3ClN2O2/c6-4-2-7-1-3(8-4)5(9)10/h1-2H,(H,9,10)",KGGYMBKTQCLOTE-UHFFFAOYSA-N
OSM-S-151,,,,CC(C(C)(C)O1)(C)OB1C2=CC(S(N)(=O)=O)=CC=C2,"InChI=1S/C12H18BNO4S/c1-11(2)12(3,4)18-13(17-11)9-6-5-7-10(8-9)19(14,15)16/h5-8H,1-4H3,(H2,14,15,16)",OHKKUZJVWWPUNY-UHFFFAOYSA-N
OSM-S-152,,,,CC(C(C)(C)O1)(C)OB1C2=CC(S(NC)(=O)=O)=CC=C2,"InChI=1S/C13H20BNO4S/c1-12(2)13(3,4)19-14(18-12)10-7-6-8-11(9-10)20(16,17)15-5/h6-9,15H,1-5H3",YIIPTCFKYOTDME-UHFFFAOYSA-N
OSM-S-153,,,,CC(C(C)(C)O1)(C)OB1C2=CC(S(N(C)C)(=O)=O)=CC=C2,"InChI=1S/C14H22BNO4S/c1-13(2)14(3,4)20-15(19-13)11-8-7-9-12(10-11)21(17,18)16(5)6/h7-10H,1-6H3",YFEWVSRTWWHXFP-UHFFFAOYSA-N
OSM-S-154,,,,BrC1=CC(S(NC)(=O)=O)=CC=C1,"InChI=1S/C7H8BrNO2S/c1-9-12(10,11)7-4-2-3-6(8)5-7/h2-5,9H,1H3",UVSNSICXRVZAJR-UHFFFAOYSA-N
OSM-S-155,,,,BrC1=CC(S(N(C)C)(=O)=O)=CC=C1,"InChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-4-7(9)6-8/h3-6H,1-2H3",RHBJVOGENJVLGT-UHFFFAOYSA-N
OSM-S-156,,,,CCOC(CCSCC(OCC)=O)=O,"InChI=1S/C9H16O4S/c1-3-12-8(10)5-6-14-7-9(11)13-4-2/h3-7H2,1-2H3",VKVGPGWOHFRXIG-UHFFFAOYSA-N
OSM-S-157,,,,O=C(OCC)C1SCCC1,"InChI=1S/C7H12O2S/c1-2-9-7(8)6-4-3-5-10-6/h6H,2-5H2,1H3",VHDROBMEJHQSNW-UHFFFAOYSA-N
OSM-S-158,,,,O=C(OC)C1=C(NC(C(F)(F)F)=O)C=CS1,"InChI=1S/C8H6F3NO3S/c1-15-6(13)5-4(2-3-16-5)12-7(14)8(9,10)11/h2-3H,1H3,(H,12,14)",CJNCTQZMIQZVQQ-UHFFFAOYSA-N
OSM-S-159,,,,IC1=CC2=NC=NC(N3CCOCC3)=C2S1,"InChI=1S/C10H10IN3OS/c11-8-5-7-9(16-8)10(13-6-12-7)14-1-3-15-4-2-14/h5-6H,1-4H2",UZWIPNXYAJRTAG-UHFFFAOYSA-N
OSM-S-16,PMY27,54704,,O=C(NC1=C(C)N(C)N(C2=CC=CC=C2)C1=O)CNC(C3=CC=CC=C3)=O,"InChI=1S/C20H20N4O3/c1-14-18(20(27)24(23(14)2)16-11-7-4-8-12-16)22-17(25)13-21-19(26)15-9-5-3-6-10-15/h3-12H,13H2,1-2H3,(H,21,26)(H,22,25)",URWSDMBJVGVIQC-UHFFFAOYSA-N
OSM-S-167,,,,BrC1=CC2=NC=NC(NC)=C2S1,"InChI=1S/C7H6BrN3S/c1-9-7-6-4(10-3-11-7)2-5(8)12-6/h2-3H,1H3,(H,9,10,11)",ICKALLHQGIOSOG-UHFFFAOYSA-N
OSM-S-168,,,,CNC1=C2C(C=CS2)=NC=N1,"InChI=1S/C7H7N3S/c1-8-7-6-5(2-3-11-6)9-4-10-7/h2-4H,1H3,(H,8,9,10)",AZPMALJVBUIZFS-UHFFFAOYSA-N
OSM-S-169,,,,CN(C)C1=C2C(C=C(Br)S2)=NC=N1,"InChI=1S/C8H8BrN3S/c1-12(2)8-7-5(10-4-11-8)3-6(9)13-7/h3-4H,1-2H3",QWNQRCLDQDDVBK-UHFFFAOYSA-N
OSM-S-17,PMY29; AEW63; AEW72; AEW64,57515636,,O=C(NC1=C(C)N(C)N(C2=CC=CC=C2)C1=O)CNC(OC(C)(C)C)=O,"InChI=1S/C18H24N4O4/c1-12-15(20-14(23)11-19-17(25)26-18(2,3)4)16(24)22(21(12)5)13-9-7-6-8-10-13/h6-10H,11H2,1-5H3,(H,19,25)(H,20,23)",MUHIYEGCMCBELD-UHFFFAOYSA-N
OSM-S-170,,,,BrC1=CC2=NC=NC(OCCN(C)C)=C2S1,"InChI=1S/C10H12BrN3OS/c1-14(2)3-4-15-10-9-7(12-6-13-10)5-8(11)16-9/h5-6H,3-4H2,1-2H3",SVRSGHTXGBHHFG-UHFFFAOYSA-N
OSM-S-171,,,,O=C1C2=C(C=CS2)NC=N1,"InChI=1S/C6H4N2OS/c9-6-5-4(1-2-10-5)7-3-8-6/h1-3H,(H,7,8,9)",PZMKGWRBZNOIPQ-UHFFFAOYSA-N
OSM-S-172,,,,COC1=C2C(C=CS2)=NC=N1,"InChI=1S/C7H6N2OS/c1-10-7-6-5(2-3-11-6)8-4-9-7/h2-4H,1H3",YDKUAOWCMDNAEX-UHFFFAOYSA-N
OSM-S-173,,,,O=S(C1=CC=C(Br)C=C1)(N(C)C)=O,"InChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3",NQAUNPZZVCXYEJ-UHFFFAOYSA-N
OSM-S-174,,,,CN(CC1)CCN1C2=C3C(C=CS3)=NC=N2,"InChI=1S/C11H14N4S/c1-14-3-5-15(6-4-14)11-10-9(2-7-16-10)12-8-13-11/h2,7-8H,3-6H2,1H3",UFWRIHSVBLJCSP-UHFFFAOYSA-N
OSM-S-175,AEW 300-1,,MMV670944,O=C(NC1=CC=NC(C(F)(F)F)=C1)C2=CN=CC3=NN=C(C4=CC=C(OC(F)F)C=C4)N32,"InChI=1S/C18H11F3N6O2/c19-14-7-11(5-6-23-14)24-17(28)13-8-22-9-15-25-26-16(27(13)15)10-1-3-12(4-2-10)29-18(20)21/h1-9,18H,(H,23,24,28)",UEOZBGRWGZEYED-UHFFFAOYSA-N
OSM-S-176,INHERITED,,MMV668958,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NCC4=CC(Cl)=CC=C4)=O)N32,"InChI=1S/C20H14ClF2N5O2/c21-14-3-1-2-12(8-14)9-25-19(29)16-10-24-11-17-26-27-18(28(16)17)13-4-6-15(7-5-13)30-20(22)23/h1-8,10-11,20H,9H2,(H,25,29)",YTUMNGGXAMTEHR-UHFFFAOYSA-N
OSM-S-177,EGT 111-1,,MMV669000,O=C(N1CC(C=CC=C2)=C2C1)C3=CN=CC4=NN=C(C5=CC=C(OC(F)F)C=C5)N43,"InChI=1S/C21H15F2N5O2/c22-21(23)30-16-7-5-13(6-8-16)19-26-25-18-10-24-9-17(28(18)19)20(29)27-11-14-3-1-2-4-15(14)12-27/h1-10,21H,11-12H2",ZTZAUSYERGBZNZ-UHFFFAOYSA-N
OSM-S-178,INHERITED,,MMV669001,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NCC4=CC=C(Cl)C=C4)=O)N32,"InChI=1S/C20H14ClF2N5O2/c21-14-5-1-12(2-6-14)9-25-19(29)16-10-24-11-17-26-27-18(28(16)17)13-3-7-15(8-4-13)30-20(22)23/h1-8,10-11,20H,9H2,(H,25,29)",FLHAMBHOAHIIDC-UHFFFAOYSA-N
OSM-S-179,INHERITED,,MMV669003,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NCC4CCOCC4)=O)N32,"InChI=1S/C19H19F2N5O3/c20-19(21)29-14-3-1-13(2-4-14)17-25-24-16-11-22-10-15(26(16)17)18(27)23-9-12-5-7-28-8-6-12/h1-4,10-12,19H,5-9H2,(H,23,27)",RKFIFNSJUCTPBT-UHFFFAOYSA-N
OSM-S-18,PMY28; PMY30; AEW64,3073741,,NCC(NC1=C(C)N(C)N(C2=CC=CC=C2)C1=O)=O,"InChI=1S/C13H16N4O2/c1-9-12(15-11(18)8-14)13(19)17(16(9)2)10-6-4-3-5-7-10/h3-7H,8,14H2,1-2H3,(H,15,18)",CAOVTXITBPMFQE-UHFFFAOYSA-N
OSM-S-180,INHERITED,,MMV669010,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(N4CCN(C5=NC=CC=C5)CC4)=O)N32,"InChI=1S/C23H22F2N8O2/c24-23(25)35-17-6-4-16(5-7-17)21-30-29-20-14-26-13-18(33(20)21)22(34)28-15-31-9-11-32(12-10-31)19-3-1-2-8-27-19/h1-8,13-14,23H,9-12,15H2,(H,28,34)",JSWJRHIWIVDMEN-UHFFFAOYSA-N
OSM-S-181,INHERITED,,MMV669011,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NCCN4CCOCC4)=O)N32,"InChI=1S/C19H20F2N6O3/c20-19(21)30-14-3-1-13(2-4-14)17-25-24-16-12-22-11-15(27(16)17)18(28)23-5-6-26-7-9-29-10-8-26/h1-4,11-12,19H,5-10H2,(H,23,28)",LYBWZYLEKBKOOG-UHFFFAOYSA-N
OSM-S-182,INHERITED,,MMV669022,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(N4CCCC4)=O)N32,"InChI=1S/C17H15F2N5O2/c18-17(19)26-12-5-3-11(4-6-12)15-22-21-14-10-20-9-13(24(14)15)16(25)23-7-1-2-8-23/h3-6,9-10,17H,1-2,7-8H2",HDIHMYGJUUDJKO-UHFFFAOYSA-N
OSM-S-183,INHERITED,,MMV669104,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(N4CCCC4C5=CC=CC=C5)=O)N32,"InChI=1S/C23H19F2N5O2/c24-23(25)32-17-10-8-16(9-11-17)21-28-27-20-14-26-13-19(30(20)21)22(31)29-12-4-7-18(29)15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14,18,23H,4,7,12H2",VLZTZFFNDKJWSH-UHFFFAOYSA-N
OSM-S-184,INHERITED,,MMV669023,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(N4CCN(S(C)(=O)=O)CC4)=O)N32,"InChI=1S/C18H18F2N6O4S/c1-31(28,29)25-8-6-24(7-9-25)17(27)14-10-21-11-15-22-23-16(26(14)15)12-2-4-13(5-3-12)30-18(19)20/h2-5,10-11,18H,6-9H2,1H3",NZXJIDBDCVXJFP-UHFFFAOYSA-N
OSM-S-185,INHERITED,,MMV669020,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(N4CCOCC4)=O)N32,"InChI=1S/C17H15F2N5O3/c18-17(19)27-12-3-1-11(2-4-12)15-22-21-14-10-20-9-13(24(14)15)16(25)23-5-7-26-8-6-23/h1-4,9-10,17H,5-8H2",LFRCBCKOIXZMLV-UHFFFAOYSA-N
OSM-S-186,INHERITED,,MMV669024,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(N[C@H](C)C4=CC=CC=C4)=O)N32,"InChI=1S/C21H17F2N5O2/c1-13(14-5-3-2-4-6-14)25-20(29)17-11-24-12-18-26-27-19(28(17)18)15-7-9-16(10-8-15)30-21(22)23/h2-13,21H,1H3,(H,25,29)/t13-/m1/s1",MLKRVCDSVIMHCB-CYBMUJFWSA-N
OSM-S-187,,,,N#CC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCC4=CC=CC=C4)N32,"InChI=1S/C20H15N5O/c21-12-16-6-8-17(9-7-16)20-24-23-18-13-22-14-19(25(18)20)26-11-10-15-4-2-1-3-5-15/h1-9,13-14H,10-11H2",ZUPHNBXHMXOSSS-UHFFFAOYSA-N
OSM-S-188,JU 9-1,,,N#CC(C=C1)=CC=C1C2=NN=C3C=NC=C(SCCC4=CC=CC=C4)N32,"InChI=1S/C20H15N5S/c21-12-16-6-8-17(9-7-16)20-24-23-18-13-22-14-19(25(18)20)26-11-10-15-4-2-1-3-5-15/h1-9,13-14H,10-11H2",UNOPMJXTFSQGHI-UHFFFAOYSA-N
OSM-S-189,JU 10-1,,MMV639725,N#CC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCC4=CC=CC=C4Cl)N32,"InChI=1S/C20H14ClN5O/c21-17-4-2-1-3-15(17)9-10-27-19-13-23-12-18-24-25-20(26(18)19)16-7-5-14(11-22)6-8-16/h1-8,12-13H,9-10H2",DQNFHRXLTAOFIL-UHFFFAOYSA-N
OSM-S-19,PMY31; AEW59,57515637,,CC(N1C2=CC=C(F)C=C2)=CC(C(NCC(N)=O)=O)=C1C,"InChI=1S/C15H16FN3O2/c1-9-7-13(15(21)18-8-14(17)20)10(2)19(9)12-5-3-11(16)4-6-12/h3-7H,8H2,1-2H3,(H2,17,20)(H,18,21)",NNGDJLZNBQLHHL-UHFFFAOYSA-N
OSM-S-190,JU 11-1,,,N#CC(C=C1)=CC=C1C2=NN=C3C=NC=C(NCCC4=CC(Cl)=CC=C4)N32,"InChI=1S/C20H15ClN6/c21-17-3-1-2-14(10-17)8-9-24-18-12-23-13-19-25-26-20(27(18)19)16-6-4-15(11-22)5-7-16/h1-7,10,12-13,24H,8-9H2",XDIXATSCLPARDX-UHFFFAOYSA-N
OSM-S-191,JU 12-1,,,ClC(C=C1)=CC=C1C2=NN=C3C=NC=C(NCCC4=CC(Cl)=CC=C4)N32,"InChI=1S/C19H15Cl2N5/c20-15-6-4-14(5-7-15)19-25-24-18-12-22-11-17(26(18)19)23-9-8-13-2-1-3-16(21)10-13/h1-7,10-12,23H,8-9H2",ADHKXMMCJCKELF-UHFFFAOYSA-N
OSM-S-192,PMY5; PMY9; AEW78,16770273,,OCC(NC1=C(C)N(C)N(C2=CC=CC=C2)C1=O)=O,"InChI=1S/C13H15N3O3/c1-9-12(14-11(18)8-17)13(19)16(15(9)2)10-6-4-3-5-7-10/h3-7,17H,8H2,1-2H3,(H,14,18)",PVJDMAYRZQJDCY-UHFFFAOYSA-N
OSM-S-193,PMY7; AEW75,4460493,,O=C1COC(C)(C)O1,"InChI=1S/C5H8O3/c1-5(2)7-3-4(6)8-5/h3H2,1-2H3",JKUCOZWILDFXMF-UHFFFAOYSA-N
OSM-S-194,,,,C12=CC=CC=C1C3=C(C4(CCN(CC5=CC=CC=C5)CC4)OCC3)N2,"InChI=1S/C22H24N2O/c1-2-6-17(7-3-1)16-24-13-11-22(12-14-24)21-19(10-15-25-22)18-8-4-5-9-20(18)23-21/h1-9,23H,10-16H2",ZZRXZXUKZZBHSK-UHFFFAOYSA-N
OSM-S-195,,,,ClC1=C2C(C3(CCN(CC4=CC=CC=C4)CC3)OCC2)=CC=C1,"InChI=1S/C20H22ClNO/c21-19-8-4-7-18-17(19)9-14-23-20(18)10-12-22(13-11-20)15-16-5-2-1-3-6-16/h1-8H,9-15H2",MMFIRWPCCHXYHI-UHFFFAOYSA-N
OSM-S-196,,,,COC1=C(OC)C=C(C2(CCN(CC3=CC=CC=C3)CC2)OCC4)C4=C1,"InChI=1S/C22H27NO3/c1-24-20-14-18-8-13-26-22(19(18)15-21(20)25-2)9-11-23(12-10-22)16-17-6-4-3-5-7-17/h3-7,14-15H,8-13,16H2,1-2H3",ADXUPDCQQACVPU-UHFFFAOYSA-N
OSM-S-197,,,,C12=CC=CC=C1C3=C(C4(CCNCC4)OCC3)[N]2,"InChI=1S/C15H17N2O/c1-2-4-13-11(3-1)12-5-10-18-15(14(12)17-13)6-8-16-9-7-15/h1-4,16H,5-10H2",SYDQFEZUKSJIHJ-UHFFFAOYSA-N
OSM-S-198,,,,C1(C2(CCN(CC3=CC=CC=C3)CC2)OCC4)=C4C=CS1,"InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)17-16(6-12-20-18)7-13-21-17/h1-5,7,13H,6,8-12,14H2",ZZQIGFUYNABBCP-UHFFFAOYSA-N
OSM-S-199,,,,C1(C(C=CC=C2)=C2[N]3)=C3C4(CCN(CC5=CC=C(OCCO6)C6=C5)CC4)OCC1,"InChI=1S/C24H25N2O3/c1-2-4-20-18(3-1)19-7-12-29-24(23(19)25-20)8-10-26(11-9-24)16-17-5-6-21-22(15-17)28-14-13-27-21/h1-6,15H,7-14,16H2",MQGOARLENPUGRJ-UHFFFAOYSA-N
OSM-S-2,PMY2; AEW2,951687,,CC1=CC(C=O)=C(C)N1C1=CC=C(F)C=C1,"InChI=1S/C13H12FNO/c1-9-7-11(8-16)10(2)15(9)13-5-3-12(14)4-6-13/h3-8H,1-2H3",COLPZCHNJIVKMV-UHFFFAOYSA-N
OSM-S-20,PMY32,57506927,,FC1=CC=C(N2C(C)=CC(C(Cl)=O)=C2C)C=C1,"InChI=1S/C13H11ClFNO/c1-8-7-12(13(14)17)9(2)16(8)11-5-3-10(15)4-6-11/h3-7H,1-2H3",PFYKYZUJWZEKFH-UHFFFAOYSA-N
OSM-S-200,,,,C12=CC=CC=C1C3=C(C4(CCN(CC5=CC=CC=C5)CC4)OCC3)S2,"InChI=1S/C22H23NOS/c1-2-6-17(7-3-1)16-23-13-11-22(12-14-23)21-19(10-15-24-22)18-8-4-5-9-20(18)25-21/h1-9H,10-16H2",BXTAXLWLFOLFKL-UHFFFAOYSA-N
OSM-S-201,TM 9-2,,MMV675718,O=C(NC1=C(C)C(Cl)=CC=C1)C2=CN=CC(N23)=NN=C3C4=CC=C(OC(F)F)C=C4,"InChI=1S/C20H14ClF2N5O2/c1-11-14(21)3-2-4-15(11)25-19(29)16-9-24-10-17-26-27-18(28(16)17)12-5-7-13(8-6-12)30-20(22)23/h2-10,20H,1H3,(H,25,29)",IVENWLQUYSRINV-UHFFFAOYSA-N
OSM-S-202,TM 14,,MMV669542,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NC4=CC=CC(Cl)=C4)=O)N32,"InChI=1S/C19H12ClF2N5O2/c20-12-2-1-3-13(8-12)24-18(28)15-9-23-10-16-25-26-17(27(15)16)11-4-6-14(7-5-11)29-19(21)22/h1-10,19H,(H,24,28)",AJGOFYWOTIIYLR-UHFFFAOYSA-N
OSM-S-203,TM 13,,,ClC1=CC(NC(C(N23)=CN=CC2=NN=C3C4=CC=C(C#N)C=C4)=O)=CC=C1,"InChI=1S/C19H11ClN6O/c20-14-2-1-3-15(8-14)23-19(27)16-10-22-11-17-24-25-18(26(16)17)13-6-4-12(9-21)5-7-13/h1-8,10-11H,(H,23,27)",YYVVJIHSHHKYPC-UHFFFAOYSA-N
OSM-S-204,TM 19-2,,MMV675946,O=C(NC1=C(F)C(Cl)=CC=C1)C2=CN=CC(N23)=NN=C3C4=CC=C(OC(F)F)C=C4,"InChI=1S/C19H11ClF3N5O2/c20-12-2-1-3-13(16(12)21)25-18(29)14-8-24-9-15-26-27-17(28(14)15)10-4-6-11(7-5-10)30-19(22)23/h1-9,19H,(H,25,29)",WBRLFZGDBUVKSB-UHFFFAOYSA-N
OSM-S-205,TM 18-1,,,ClC1=C(F)C(NC(C(N23)=CN=CC2=NN=C3C4=CC=C(C#N)C=C4)=O)=CC=C1,"InChI=1S/C19H10ClFN6O/c20-13-2-1-3-14(17(13)21)24-19(28)15-9-23-10-16-25-26-18(27(15)16)12-6-4-11(8-22)5-7-12/h1-7,9-10H,(H,24,28)",IDMCTWULSGGMQZ-UHFFFAOYSA-N
OSM-S-206,AEW 120,,MMV675719,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NC4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=O)N32,InChI=1S/C21H11F8N5O2/c22-19(23)36-14-3-1-10(2-4-14)17-33-32-16-9-30-8-,GCJUFPUQPKTUOT-UHFFFAOYSA-N
OSM-S-207,AEW 134-1,,,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(N4CC(C(F)=CC=C5)=C5C4)=O)N32,"InChI=1S/C21H14F3N5O2/c22-16-3-1-2-13-10-28(11-15(13)16)20(30)17-8-25-9-18-26-27-19(29(17)18)12-4-6-14(7-5-12)31-21(23)24/h1-9,21H,10-11H2",WLABWHOTAUUXHJ-UHFFFAOYSA-N
OSM-S-208,AEW 145-1,,,FC(C=C1)=C(F)C=C1C(OC)COC2=CN=CC3=NN=C(C4=CC=C(C#N)C=C4)N32,"InChI=1S/C21H15F2N5O2/c1-29-18(15-6-7-16(22)17(23)8-15)12-30-20-11-25-10-19-26-27-21(28(19)20)14-4-2-13(9-24)3-5-14/h2-8,10-11,18H,12H2,1H3",PERKBMZWWUEZNJ-UHFFFAOYSA-N
OSM-S-209,,,,C1(CCOC23CCN(CC4=CC=CC=C4)CC3)=C2C=CS1,"InChI=1S/C18H21NOS/c1-2-4-15(5-3-1)14-19-10-8-18(9-11-19)16-7-13-21-17(16)6-12-20-18/h1-5,7,13H,6,8-12,14H2",WRPOPKKINJVHKF-UHFFFAOYSA-N
OSM-S-21,PMY34; AEW65,57515638,,FC1=CC=C(N2C(C)=CC(C(NCC(NC3=C(C)N(C)N(C4=CC=CC=C4)C3=O)=O)=O)=C2C)C=C1,"InChI=1S/C26H26FN5O3/c1-16-14-22(17(2)31(16)20-12-10-19(27)11-13-20)25(34)28-15-23(33)29-24-18(3)30(4)32(26(24)35)21-8-6-5-7-9-21/h5-14H,15H2,1-4H3,(H,28,34)(H,29,33)",RRYQCWKAZAVYJI-UHFFFAOYSA-N
OSM-S-210,,,,C1(CCOC23CCN(CC4=CC(OCCO5)=C5C=C4)CC3)=C2C=CS1,"InChI=1S/C20H23NO3S/c1-2-17-18(23-11-10-22-17)13-15(1)14-21-7-5-20(6-8-21)16-4-12-25-19(16)3-9-24-20/h1-2,4,12-13H,3,5-11,14H2",NCRPMBWORFWNGT-UHFFFAOYSA-N
OSM-S-211,,,,C1(CCOC23CCN(CC4=CC(OCO5)=C5C=C4)CC3)=C2C=CS1,"InChI=1S/C19H21NO3S/c1-2-16-17(22-13-21-16)11-14(1)12-20-7-5-19(6-8-20)15-4-10-24-18(15)3-9-23-19/h1-2,4,10-11H,3,5-9,12-13H2",ACOYQJHGMQYDJB-UHFFFAOYSA-N
OSM-S-212,,,,ClC(C=C1)=CC=C1CN(CC2)CCC32C4=C(SC=C4)CCO3,"InChI=1S/C18H20ClNOS/c19-15-3-1-14(2-4-15)13-20-9-7-18(8-10-20)16-6-12-22-17(16)5-11-21-18/h1-4,6,12H,5,7-11,13H2",IKDZLARXTXDYSV-UHFFFAOYSA-N
OSM-S-213,,,,O=C(C1=CC=C(Br)C=C1)N(CC2)CCC32C4=C(SC=C4)CCO3,"InChI=1S/C18H18BrNO2S/c19-14-3-1-13(2-4-14)17(21)20-9-7-18(8-10-20)15-6-12-23-16(15)5-11-22-18/h1-4,6,12H,5,7-11H2",NZVHUZGXLTUEBD-UHFFFAOYSA-N
OSM-S-214,,,,CC1=C(C=C(C)N1C2=CC=C(F)C=C2)CN(CC3)CCC43C5=C(SC=C5)CCO4,"InChI=1S/C24H27FN2OS/c1-17-15-19(18(2)27(17)21-5-3-20(25)4-6-21)16-26-11-9-24(10-12-26)22-8-14-29-23(22)7-13-28-24/h3-6,8,14-15H,7,9-13,16H2,1-2H3",JOUHIYBEDRSIMN-UHFFFAOYSA-N
OSM-S-215,,,,C1(CCOC23CCN(C4CCCCC4)CC3)=C2C=CS1,"InChI=1S/C17H25NOS/c1-2-4-14(5-3-1)18-10-8-17(9-11-18)15-7-13-20-16(15)6-12-19-17/h7,13-14H,1-6,8-12H2",XLYPXGDSQIIAGC-UHFFFAOYSA-N
OSM-S-216,,,,O=C(C1=CC=CC=C1)N(CC2)CCC32C4=C(SC=C4)CCO3,"InChI=1S/C18H19NO2S/c20-17(14-4-2-1-3-5-14)19-10-8-18(9-11-19)15-7-13-22-16(15)6-12-21-18/h1-5,7,13H,6,8-12H2",IKDZLARXTXDYSV-UHFFFAOYSA-N
OSM-S-217,,,,O=C(OCCCl)N(CC1)CCC21C3=C(SC=C3)CCO2,"InChI=1S/C14H18ClNO3S/c15-5-9-18-13(17)16-6-3-14(4-7-16)11-2-10-20-12(11)1-8-19-14/h2,10H,1,3-9H2",RXXGDCXYAFFODV-UHFFFAOYSA-N
OSM-S-218,AEW 313-1,,MMV669844/MMV897709,FC(C=C1)=C(F)C=C1C(OC)COC2=CN=CC3=NN=C(C4=CC=C(C#N)C=C4)N32,"InChI=1S/C21H15F2N5O2/c1-29-18(15-6-7-16(22)17(23)8-15)12-30-20-11-25-10-19-26-27-21(28(19)20)14-4-2-13(9-24)3-5-14/h2-8,10-11,18H,12H2,1H3/t18-/m0/s1",
OSM-S-219,JU 3; AEW 97,,,ClC1=CN=CC2=NN=C(C3=CC=C(C#N)C=C3)N21,"InChI=1S/C12H6ClN5/c13-10-6-15-7-11-16-17-12(18(10)11)9-3-1-8(5-14)2-4-9/h1-4,6-7H",IXZMOLDGRAEJRY-UHFFFAOYSA-N
OSM-S-22,PMY42,52440675,,FC1=CC=C(N2C(C)=CC(C(N)=O)=C2C)C=C1,"InChI=1S/C13H13FN2O/c1-8-7-12(13(15)17)9(2)16(8)11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H2,15,17)",PVWNZUQYNDFAEV-UHFFFAOYSA-N
OSM-S-220,JU 8; CCS 2-1,,,ClC1=CN=CC2=NN=C(C3=CC=C(Cl)C=C3)N21,InChI=1S/C11H6Cl2N4/c12-8-3-1-7(2-4-8)11-16-15-10-6-14-5-9(13)17(10)11/h1-6H,VCWFDFYRPOTNNX-UHFFFAOYSA-N
OSM-S-222,AEW 103,,,COC(C(O)C1=CC(F)=C(F)C=C1)=O,"InChI=1S/C9H8F2O3/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5/h2-4,8,12H,1H3",FSNBVAIULMGGMB-UHFFFAOYSA-N
OSM-S-226,AEW 94-1,,,C[Si](C)(OC(C1=CC(F)=C(F)C=C1)C#N)C,"InChI=1S/C11H13F2NOSi/c1-16(2,3)15-11(7-14)8-4-5-9(12)10(13)6-8/h4-6,11H,1-3H3",ZAXNXBJYTHDLNG-UHFFFAOYSA-N
OSM-S-227,TM 3,,,CC1=C(Cl)C=CC=C1NC(C2=NC(Cl)=CN=C2)=O,"InChI=1S/C12H9Cl2N3O/c1-7-8(13)3-2-4-9(7)17-12(18)10-5-15-6-11(14)16-10/h2-6H,1H3,(H,17,18)",XUNQSXQSMQZCMD-UHFFFAOYSA-N
OSM-S-228,TM 20-1,,,ClC1=C(F)C(NC(C2=NC(Cl)=CN=C2)=O)=CC=C1,"InChI=1S/C11H6Cl2FN3O/c12-6-2-1-3-7(10(6)14)17-11(18)8-4-15-5-9(13)16-8/h1-5H,(H,17,18)",JMFWWNDHJIICEU-UHFFFAOYSA-N
OSM-S-229,TM 21-1,,,CC1=C(NC(C2=NC(Cl)=CN=C2)=O)C=C(Cl)C=C1,"InChI=1S/C12H9Cl2N3O/c1-7-2-3-8(13)4-9(7)17-12(18)10-5-15-6-11(14)16-10/h2-6H,1H3,(H,17,18)",IQKLDOUABSLOBP-UHFFFAOYSA-N
OSM-S-230,TM 8,,,ClC1=CC(NC(C2=CN=CC(NN)=N2)=O)=CC=C1,"InChI=1S/C11H10ClN5O/c12-7-2-1-3-8(4-7)15-11(18)9-5-14-6-10(16-9)17-13/h1-6H,13H2,(H,15,18)(H,16,17)",SPRQPGUTUUOBSB-UHFFFAOYSA-N
OSM-S-23,PMY43; SBHK486,96680,,CC1=C(C(OCC)=O)C=NN1C2=CC=CC=C2,"InChI=1S/C13H14N2O2/c1-3-17-13(16)12-9-14-15(10(12)2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3",XYIOIOHRWLZCDM-UHFFFAOYSA-N
OSM-S-236,PMY37; AEW4; AEW23,57519182,,FC1=CC=C(N2C(C)=CC(COCC(N)=O)=C2C)C=C1,"InChI=1S/C15H17FN2O2/c1-10-7-12(8-20-9-15(17)19)11(2)18(10)14-5-3-13(16)4-6-14/h3-7H,8-9H2,1-2H3,(H2,17,19)",UFAJOCCDASJXPL-UHFFFAOYSA-N
OSM-S-24,PMY44; SBHK489,145221,,CC1=C(C(O)=O)C=NN1C2=CC=CC=C2,"InChI=1S/C11H10N2O2/c1-8-10(11(14)15)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)",USSMIQWDLWJQDQ-UHFFFAOYSA-N
OSM-S-241,MJT2; MNR49,3654436,,FC1=CC=C(N2N=CC(C(OCC)=O)=C2C)C=C1,"InChI=1S/C13H13FN2O2/c1-3-18-13(17)12-8-15-16(9(12)2)11-6-4-10(14)5-7-11/h4-8H,3H2,1-2H3",JYHUUEYONFRPMV-UHFFFAOYSA-N
OSM-S-242,MJT3; MNR50,4270263,,FC1=CC=C(N2N=CC(C(O)=O)=C2C)C=C1,"InChI=1S/C11H9FN2O2/c1-7-10(11(15)16)6-13-14(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16)",KBQWFOMDKNVSAD-UHFFFAOYSA-N
OSM-S-243,PMY63,688689,,FC1=CC=C(N2N=CC(C(OCC)=O)=C2N)C=C1,"InChI=1S/C12H12FN3O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3",RPPPCKSHIYWAPW-UHFFFAOYSA-N
OSM-S-244,PMY64,14994516,,FC1=CC=C(N2N=CC(C(OCC)=O)=C2)C=C1,"InChI=1S/C12H11FN2O2/c1-2-17-12(16)9-7-14-15(8-9)11-5-3-10(13)4-6-11/h3-8H,2H2,1H3",MEUROLLIWZOVNK-UHFFFAOYSA-N
OSM-S-245,PMY65,3159617,,FC1=CC=C(N2N=CC(C(O)=O)=C2)C=C1,"InChI=1S/C10H7FN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)",VHGLETHNIUVDGO-UHFFFAOYSA-N
OSM-S-246,PMY60; PMY62; MNR62,57519180,,FC1=CC=C(N2C(C)=CC(C3=NC(C(N)=O)=CO3)=C2C)C=C1,"InChI=1S/C16H14FN3O2/c1-9-7-13(16-19-14(8-22-16)15(18)21)10(2)20(9)12-5-3-11(17)4-6-12/h3-8H,1-2H3,(H2,18,21)",WNDROPYDFOUQKN-UHFFFAOYSA-N
OSM-S-247,PMY45,57506926,,FC1=CC=C(N2C(C)=CC(C3=NC(C(OCC)=O)=CO3)=C2C)C=C1,"InChI=1S/C18H17FN2O3/c1-4-23-18(22)16-10-24-17(20-16)15-9-11(2)21(12(15)3)14-7-5-13(19)6-8-14/h5-10H,4H2,1-3H3",RFFSPTHAPOPEOX-UHFFFAOYSA-N
OSM-S-248,PMY62,,,FC1=CC=C(N2C(C)=CC(C3=NC(C(N)=O)CO3)=C2C)C=C1,"InChI=1S/C16H16FN3O2/c1-9-7-13(16-19-14(8-22-16)15(18)21)10(2)20(9)12-5-3-11(17)4-6-12/h3-7,14H,8H2,1-2H3,(H2,18,21)",MGUMGJAQHDKXDI-UHFFFAOYSA-N
OSM-S-249,PMY61,,,FC1=CC=C(N2C(C)=CC(C(N(C(C(N)=O)CO)[H])=O)=C2C)C=C1,"InChI=1S/C16H18FN3O3/c1-9-7-13(16(23)19-14(8-21)15(18)22)10(2)20(9)12-5-3-11(17)4-6-12/h3-7,14,21H,8H2,1-2H3,(H2,18,22)(H,19,23)",QKIMCWGLBIDDRP-UHFFFAOYSA-N
OSM-S-25,LMW1; AEW44,66518,,CC1=CC=C(C)N1C2=CC=CC=C2,"InChI=1S/C12H13N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-9H,1-2H3",JNXIFVSGXLGULI-UHFFFAOYSA-N
OSM-S-250,MJT5,,,FC1=CC=C(N2N=CC(C(N(C(C(OC)=O)CO)[H])=O)=C2C)C=C1,"InChI=1S/C15H16FN3O4/c1-9-12(14(21)18-13(8-20)15(22)23-2)7-17-19(9)11-5-3-10(16)4-6-11/h3-7,13,20H,8H2,1-2H3,(H,18,21)",IFUMWRUBRMGAEV-UHFFFAOYSA-N
OSM-S-251,MJT4,,,FC1=CC=C(N2N=CC(C(N(C(C(N)=O)CO)[H])=O)=C2C)C=C1,"InChI=1S/C14H15FN4O3/c1-8-11(14(22)18-12(7-20)13(16)21)6-17-19(8)10-4-2-9(15)3-5-10/h2-6,12,20H,7H2,1H3,(H2,16,21)(H,18,22)",SYXYTYKMKDLUFU-UHFFFAOYSA-N
OSM-S-252,MJT1,,,CC1=C(C(N(C(C(OC)=O)CO)[H])=O)C=NN1C2=CC=CC=C2,"InChI=1S/C15H17N3O4/c1-10-12(14(20)17-13(9-19)15(21)22-2)8-16-18(10)11-6-4-3-5-7-11/h3-8,13,19H,9H2,1-2H3,(H,17,20)",MUYSFMFAFVZIPG-UHFFFAOYSA-N
OSM-S-253,MNR67,90957910,,O=C(OCC)C1=CN(C=C1)C2=CC=C(F)C=C2,"InChI=1S/C13H12FNO2/c1-2-17-13(16)10-7-8-15(9-10)12-5-3-11(14)4-6-12/h3-9H,2H2,1H3",KJIGTOSWXXKBEH-UHFFFAOYSA-N
OSM-S-254,TM 26-1,,MMV675947,O=C(NC1=CC(Cl)=CC=C1C)C2=CN=CC(N23)=NN=C3C4=CC=C(OC(F)F)C=C4,"InChI=1S/C20H14ClF2N5O2/c1-11-2-5-13(21)8-15(11)25-19(29)16-9-24-10-17-26-27-18(28(16)17)12-3-6-14(7-4-12)30-20(22)23/h2-10,20H,1H3,(H,25,29)",QKXZFYOMVFGRGS-UHFFFAOYSA-N
OSM-S-255,TM 31-1,,MMV675950,O=C(NC1=C(C)C(Cl)=CC=C1)C2=CN=CC(N23)=NN=C3C4=CC=C(OC)C=C4,"InChI=1S/C20H16ClN5O2/c1-12-15(21)4-3-5-16(12)23-20(27)17-10-22-11-18-24-25-19(26(17)18)13-6-8-14(28-2)9-7-13/h3-11H,1-2H3,(H,23,27)",LIAWHOKMZQICES-UHFFFAOYSA-N
OSM-S-256,TM 32-1,,MMV675951,O=C(NC1=C(F)C(Cl)=CC=C1)C2=CN=CC(N23)=NN=C3C4=CC=C(OC)C=C4,"InChI=1S/C19H13ClFN5O2/c1-28-12-7-5-11(6-8-12)18-25-24-16-10-22-9-15(26(16)18)19(27)23-14-4-2-3-13(20)17(14)21/h2-10H,1H3,(H,23,27)",FWGBPGUTIFKBOZ-UHFFFAOYSA-N
OSM-S-257,TM 33-1,,MMV675952,O=C(NC1=CC(Cl)=CC=C1C)C2=CN=CC(N23)=NN=C3C4=CC=C(OC)C=C4,"InChI=1S/C20H16ClN5O2/c1-12-3-6-14(21)9-16(12)23-20(27)17-10-22-11-18-24-25-19(26(17)18)13-4-7-15(28-2)8-5-13/h3-11H,1-2H3,(H,23,27)",NFXWTMUWMZSIFL-UHFFFAOYSA-N
OSM-S-258,JU 15,,MMV675949,ClC1=CC=CC=C1CCOC2=CN=CC3=NN=C(C4=CC=NC=C4)N32,"InChI=1S/C18H14ClN5O/c19-15-4-2-1-3-13(15)7-10-25-17-12-21-11-16-22-23-18(24(16)17)14-5-8-20-9-6-14/h1-6,8-9,11-12H,7,10H2",ONSVYVKJKRCBFG-UHFFFAOYSA-N
OSM-S-259,JU 17-1,,MMV675959,ClC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC4=CC=C(F)C(F)=C4)N32,"InChI=1S/C18H11ClF2N4O/c19-13-4-2-12(3-5-13)18-24-23-16-8-22-9-17(25(16)18)26-10-11-1-6-14(20)15(21)7-11/h1-9H,10H2",RFVLCVGXWWXLGJ-UHFFFAOYSA-N
OSM-S-26,LMW2,1908543,,CC1=CC=C(C)N1C2=CC=C(C)C=C2,"InChI=1S/C13H15N/c1-10-4-8-13(9-5-10)14-11(2)6-7-12(14)3/h4-9H,1-3H3",SWIUPUUNVWDJED-UHFFFAOYSA-N
OSM-S-260,JU 22-1,,MMV675960,FC1=C(F)C=CC(CCOC2=CN=CC3=NN=C(C4=CC=C(OC(F)F)C=C4)N32)=C1,"InChI=1S/C20H14F4N4O2/c21-15-6-1-12(9-16(15)22)7-8-29-18-11-25-10-17-26-27-19(28(17)18)13-2-4-14(5-3-13)30-20(23)24/h1-6,9-11,20H,7-8H2",DEEWBVYNQGALDU-UHFFFAOYSA-N
OSM-S-261,JU 23-1,,,ClC1=CC=C(C2=NN=C3C=NC=C(OC[C@H](N)CC4=CC=CC=C4)N32)C=C1,"InChI=1S/C20H18ClN5O/c21-16-8-6-15(7-9-16)20-25-24-18-11-23-12-19(26(18)20)27-13-17(22)10-14-4-2-1-3-5-14/h1-9,11-12,17H,10,13,22H2/t17-/m1/s1",IDYMXWVLOCEAKY-QGZVFWFLSA-N
OSM-S-262,TM 45-1,,MMV675961,O=C(NC1=CC(Cl)=CC=C1)C2=CN=CC(N23)=NN=C3C4=NC=CC=C4,"InChI=1S/C17H11ClN6O/c18-11-4-3-5-12(8-11)21-17(25)14-9-19-10-15-22-23-16(24(14)15)13-6-1-2-7-20-13/h1-10H,(H,21,25)",GCBSUHZLELOHDM-UHFFFAOYSA-N
OSM-S-263,TM 46-1,,MMV675962,O=C(NC1=CC(Cl)=CC=C1)C2=CN=CC(N23)=NN=C3C4=CN=CC=C4,"InChI=1S/C17H11ClN6O/c18-12-4-1-5-13(7-12)21-17(25)14-9-20-10-15-22-23-16(24(14)15)11-3-2-6-19-8-11/h1-10H,(H,21,25)",AQSNHWMTHMLNFL-UHFFFAOYSA-N
OSM-S-264,TM 47-1,,,ClC1=CC(NC(C(N23)=CN=CC2=NN=C3C4=CC=NC=C4)=O)=CC=C1,"InChI=1S/C17H11ClN6O/c18-12-2-1-3-13(8-12)21-17(25)14-9-20-10-15-22-23-16(24(14)15)11-4-6-19-7-5-11/h1-10H,(H,21,25)",OHGFCSWBHYTMRJ-UHFFFAOYSA-N
OSM-S-265,AEW 191-1,,MMV675948,N#CC(C=C1)=CC=C1C2=NN=C3N2C(OCC(OC)C4=CC=CC=C4)=CN=C3,"InChI=1S/C21H17N5O2/c1-27-18(16-5-3-2-4-6-16)14-28-20-13-23-12-19-24-25-21(26(19)20)17-9-7-15(11-22)8-10-17/h2-10,12-13,18H,14H2,1H3",QAGSTSUWCMAMBB-UHFFFAOYSA-N
OSM-S-266,AEW13; AEW14; AEW17,2349400,,FC1=CC=C(N2C(C)=CC(C(NN)=O)=C2C)C=C1,"InChI=1S/C13H14FN3O/c1-8-7-12(13(18)16-15)9(2)17(8)11-5-3-10(14)4-6-11/h3-7H,15H2,1-2H3,(H,16,18)",WKYACYFAJSKXRU-UHFFFAOYSA-N
OSM-S-267,AEW15,,,FC1=CC=C(N2C(C)=CC(C(NNC(C)=O)=O)=C2C)C=C1,"InChI=1S/C15H16FN3O2/c1-9-8-14(15(21)18-17-11(3)20)10(2)19(9)13-6-4-12(16)5-7-13/h4-8H,1-3H3,(H,17,20)(H,18,21)",YVXPWUQSCIIYMR-UHFFFAOYSA-N
OSM-S-268,AEW24,,,FC1=CC=C(N2C(C)=CC(C(NNC(C(OC)=O)=O)=O)=C2C)C=C1,"InChI=1S/C16H16FN3O4/c1-9-8-13(14(21)18-19-15(22)16(23)24-3)10(2)20(9)12-6-4-11(17)5-7-12/h4-8H,1-3H3,(H,18,21)(H,19,22)",GWWXOFBSHPNTFF-UHFFFAOYSA-N
OSM-S-269,AEW25; AEW27,,,FC1=CC=C(N2C(C)=CC(C3=NN=C(C(OC)=O)O3)=C2C)C=C1,"InChI=1S/C16H14FN3O3/c1-9-8-13(14-18-19-15(23-14)16(21)22-3)10(2)20(9)12-6-4-11(17)5-7-12/h4-8H,1-3H3",KCLKHKVKELEMKB-UHFFFAOYSA-N
OSM-S-27,LMW3,2737125,,CC1=CC=C(C)N1C2=CC=C(C(F)(F)F)C=C2,"InChI=1S/C13H12F3N/c1-9-3-4-10(2)17(9)12-7-5-11(6-8-12)13(14,15)16/h3-8H,1-2H3",UWHVRMCDWMXTOE-UHFFFAOYSA-N
OSM-S-270,TM 54-1,,,COC1=CC=C(C2=NN=C3C=NC=C(N32)C(NC4=CC=CC(Cl)=C4)=O)C=C1,"InChI=1S/C19H14ClN5O2/c1-27-15-7-5-12(6-8-15)18-24-23-17-11-21-10-16(25(17)18)19(26)22-14-4-2-3-13(20)9-14/h2-11H,1H3,(H,22,26)",PVPGYERJOUVPIJ-UHFFFAOYSA-N
OSM-S-271,TM 55-1,,MMV675963,O=C(NC1=CC(Cl)=CC=C1)C2=CN=CC(N23)=NN=C3C4=CC=C(OC(F)(F)F)C=C4,"InChI=1S/C19H11ClF3N5O2/c20-12-2-1-3-13(8-12)25-18(29)15-9-24-10-16-26-27-17(28(15)16)11-4-6-14(7-5-11)30-19(21,22)23/h1-10H,(H,25,29)",KPPYAXXEDYTONY-UHFFFAOYSA-N
OSM-S-272,AEW 302-1,,MMV639565,FC1=C(F)C=CC(CCOC2=CN=CC3=NN=C(C4=CC=C(Cl)C=C4)N32)=C1,"InChI=1S/C19H13ClF2N4O/c20-14-4-2-13(3-5-14)19-25-24-17-10-23-11-18(26(17)19)27-8-7-12-1-6-15(21)16(22)9-12/h1-6,9-11H,7-8H2",PMHUSEXABGDNGS-UHFFFAOYSA-N
OSM-S-273,INHERITED,,MMV669846,ClC(C=C1)=CC=C1C2=CN=C3C=NC=C(OCCC4=CC(F)=C(F)C=C4)N32,"InChI=1S/C20H14ClF2N3O/c21-15-4-2-14(3-5-15)18-10-25-19-11-24-12-20(26(18)19)27-8-7-13-1-6-16(22)17(23)9-13/h1-6,9-12H,7-8H2",MQHQNFQVEXYAMO-UHFFFAOYSA-N
OSM-S-274,INHERITED,,MMV670250,ClC(C=C1)=CC=C1C2=NC=C3C=NC=C(OCCC4=CC(F)=C(F)C=C4)N32,"InChI=1S/C20H14ClF2N3O/c21-15-4-2-14(3-5-15)20-25-11-16-10-24-12-19(26(16)20)27-8-7-13-1-6-17(22)18(23)9-13/h1-6,9-12H,7-8H2",JHORUMGXLQTHAD-UHFFFAOYSA-N
OSM-S-275,AEW 237-1,,MMV688892,OC(COc2cncc3nnc(C1CCCCC1)n23)c4ccccc4,"InChI=1S/C19H22N4O2/c24-16(14-7-3-1-4-8-14)13-25-18-12-20-11-17-21-22-19(23(17)18)15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15-16,24H,2,5-6,9-10,13H2 AuxInfo=1/0/N:23,14,22,24,13,15,21,25,12,16,3,1,17,19,10,18,4,6,9,2,7,8,5,20,11/E:(3,4)(5,6)(7,8)(9,10)/rA:25CNCCNCNNCCOCCCCCCCCOCCCCC/rB:s1;d2;s3;s4;d1s5;d4;s7;s5d8;s9;s6;s10;s12;s13;s14;s10s15;s11;s17;s18;V18;d19;s21;d22;s23;s19d24;/rC:378,-218,0;378,-73,0;504,0,0;630,-73,0;630,-218,0;504,-291,0;768,-28,0;853,-145,0;768,-263,0;813,-401,0;504,-436,0;955,-431,0;1000,-570,0;903,-678,0;761,-648,0;715,-509,0;378,-509,0;378,-654,0;252,-727,0;504,-727,0;252,-873,0;126,-945,0;0,-873,0;0,-727,0;126,-654,0; ",LWDWZIVAQMSZHL-UHFFFAOYSA-N
OSM-S-276,AEW 238-1,,MMV688893,OC(COc1cncc2nnc(CC)n12)c3ccccc3,"InChI=1S/C15H16N4O2/c1-2-13-17-18-14-8-16-9-15(19(13)14)21-10-12(20)11-6-4-3-5-7-11/h3-9,12,20H,2,10H2,1H3 AuxInfo=1/0/N:12,10,19,18,20,17,21,3,1,13,15,14,9,4,6,2,8,7,5,16,11/E:(4,5)(6,7)/rA:21CNCCNCNNCCOCCCCOCCCCC/rB:s1;d2;s3;s4;d1s5;d4;s7;s5d8;s9;s6;s10;s11;s13;s14;V14;d15;s17;d18;s19;s15d20;/rC:395,-228,0;395,-76,0;527,0,0;659,-76,0;659,-228,0;527,-305,0;804,-29,0;893,-152,0;804,-276,0;851,-420,0;527,-457,0;1000,-452,0;395,-533,0;395,-685,0;263,-761,0;527,-761,0;263,-914,0;131,-990,0;0,-914,0;0,-761,0;131,-685,0;",ZMELTVBBQIUHNR-UHFFFAOYSA-N
OSM-S-277,AEW 230-1,,MMV688894,OC(COc2cncc3nnc(c1ccccc1)n23)c4ccccc4,"InChI=1S/C19H16N4O2/c24-16(14-7-3-1-4-8-14)13-25-18-12-20-11-17-21-22-19(23(17)18)15-9-5-2-6-10-15/h1-12,16,24H,13H2 AuxInfo=1/0/N:23,14,22,24,13,15,21,25,12,16,3,1,17,19,10,18,4,6,9,2,7,8,5,20,11/E:(3,4)(5,6)(7,8)(9,10)/rA:25CNCCNCNNCCOCCCCCCCCOCCCCC/rB:s1;d2;s3;s4;d1s5;d4;s7;s5d8;s9;s6;d10;s12;d13;s14;s10d15;s11;s17;s18;V18;d19;s21;d22;s23;s19d24;/rC:378,-218,0;378,-73,0;504,0,0;630,-73,0;630,-218,0;504,-291,0;768,-28,0;853,-145,0;768,-263,0;813,-401,0;504,-436,0;955,-431,0;1000,-570,0;903,-678,0;761,-648,0;715,-509,0;378,-509,0;378,-654,0;252,-727,0;504,-727,0;252,-873,0;126,-945,0;0,-873,0;0,-727,0;126,-654,0; ",HQWUAOFYEUBLBZ-UHFFFAOYSA-N
OSM-S-278,EGT 137-1,,MMV688895,OC(C1=CC=CC=C1)COC2=CN=CC3=NN=C(C4=CN=C(C(F)(F)F)C=C4)N32,"InChI=1S/C19H14F3N5O2/c20-19(21,22)15-7-6-13(8-24-15)18-26-25-16-9-23-10-17(27(16)18)29-11-14(28)12-4-2-1-3-5-12/h1-10,14,28H,11H2 AuxInfo=1/0/N:23,22,24,21,25,16,15,12,3,1,17,19,10,18,14,4,6,9,26,27,28,29,2,13,7,8,5,20,11/E:(2,3)(4,5)(20,21,22)/rA:29CNCCNCNNCCOCNCCCCCCOCCCCCCFFF/rB:s1;d2;s3;s4;d1s5;d4;s7;s5d8;s9;s6;d10;s12;d13;s14;s10d15;s11;s17;s18;V18;d19;s21;d22;s23;s19d24;s14;s26;s26;s26;/rC:348,-201,0;348,-67,0;464,0,0;580,-67,0;580,-201,0;464,-268,0;707,-25,0;786,-134,0;707,-242,0;749,-370,0;464,-402,0;880,-397,0;921,-525,0;832,-625,0;700,-596,0;659,-469,0;348,-469,0;348,-603,0;232,-670,0;464,-670,0;232,-804,0;116,-871,0;0,-804,0;0,-670,0;116,-603,0;873,-752,0;914,-879,0;1000,-711,0;746,-793,0; ",YUTTVQUFLHMVCQ-UHFFFAOYSA-N
OSM-S-279,AEW 236-1; EGT 119-2,,MMV688896,OC(C1=CC=CC=C1)COC2=CN=CC3=NN=C(C4=CC=C(OC(F)F)C=C4)N32,"InChI=1S/C20H16F2N4O3/c21-20(22)29-15-8-6-14(7-9-15)19-25-24-17-10-23-11-18(26(17)19)28-12-16(27)13-4-2-1-3-5-13/h1-11,16,20,27H,12H2 AuxInfo=1/0/N:23,22,24,21,25,12,16,13,15,3,1,17,19,10,14,18,4,6,9,27,28,29,2,7,8,5,20,11,26/E:(2,3)(4,5)(6,7)(8,9)(21,22)/rA:29CNCCNCNNCCOCCCCCCCCOCCCCCOCFF/rB:s1;d2;s3;s4;d1s5;d4;s7;s5d8;s9;s6;d10;s12;d13;s14;s10d15;s11;s17;s18;V18;d19;s21;d22;s23;s19d24;s14;s26;s27;s27;/rC:355,-205,0;355,-68,0;474,0,0;593,-68,0;593,-205,0;474,-274,0;723,-26,0;803,-137,0;723,-248,0;765,-378,0;474,-411,0;899,-406,0;941,-536,0;849,-638,0;716,-609,0;673,-479,0;355,-479,0;355,-616,0;237,-684,0;474,-684,0;237,-821,0;119,-890,0;0,-821,0;0,-684,0;119,-616,0;892,-768,0;800,-870,0;667,-841,0;843,-1000,0; ",GEHCMLKWLSBHDX-UHFFFAOYSA-N
OSM-S-28,LMW4; AEW49,66515,,CC(N1C2=CC=CC=C2)=CC(C=O)=C1C,"InChI=1S/C13H13NO/c1-10-8-12(9-15)11(2)14(10)13-6-4-3-5-7-13/h3-9H,1-2H3",LNROIXNEIZSESG-UHFFFAOYSA-N
OSM-S-280,,,MMV688897,FC(F)Oc1ccc(cc1)c2nnc3cncc(OC)n23,"InChI=1S/C13H10F2N4O2/c1-20-11-7-16-6-10-17-18-12(19(10)11)8-2-4-9(5-3-8)21-13(14)15/h2-7,13H,1H3 AuxInfo=1/0/N:21,12,16,13,15,3,1,10,14,4,6,9,18,19,20,2,7,8,5,11,17/E:(2,3)(4,5)(14,15)/rA:21CNCCNCNNCCOCCCCCOCFFC/rB:s1;d2;s3;s4;d1s5;d4;s7;s5d8;s9;s6;d10;s12;d13;s14;s10d15;s14;s17;s18;s18;s11;/rC:0,-205,0;0,-68,0;119,0,0;237,-68,0;237,-205,0;119,-274,0;367,-26,0;448,-137,0;367,-248,0;410,-378,0;119,-411,0;543,-406,0;586,-536,0;494,-638,0;360,-609,0;318,-479,0;536,-768,0;445,-870,0;311,-841,0;487,-1000,0;0,-479,0;",DEPSYKMVBIYBIU-UHFFFAOYSA-N
OSM-S-281,AEW 214-1,,MMV688898,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC[C@H](NC)C4=CC=CC=C4)N32,"InChI=1S/C21H19F2N5O2/c1-24-17(14-5-3-2-4-6-14)13-29-19-12-25-11-18-26-27-20(28(18)19)15-7-9-16(10-8-15)30-21(22)23/h2-12,17,21,24H,13H2,1H3",NXAYCBUWEUBZHA-UHFFFAOYSA-N
OSM-S-283,,,MMV688899,FC(F)Oc1ccc(cc1)c3nnc4cncc(OCC(N)c2ccccc2)n34,"InChI=1S/C20H17F2N5O2/c21-20(22)29-15-8-6-14(7-9-15)19-26-25-17-10-24-11-18(27(17)19)28-12-16(23)13-4-2-1-3-5-13/h1-11,16,20H,12,23H2 AuxInfo=1/0/N:23,22,24,21,25,12,16,13,15,3,1,17,19,10,14,18,4,6,9,27,28,29,20,2,7,8,5,11,26/E:(2,3)(4,5)(6,7)(8,9)(21,22)/rA:29CNCCNCNNCCOCCCCCCCCNCCCCCOCFF/rB:s1;d2;s3;s4;d1s5;d4;s7;s5d8;s9;s6;d10;s12;d13;s14;s10d15;s11;s17;s18;V18;d19;s21;d22;s23;s19d24;s14;s26;s27;s27;/rC:356,-205,0;356,-68,0;474,0,0;592,-68,0;592,-205,0;474,-274,0;722,-26,0;803,-137,0;722,-248,0;765,-378,0;474,-410,0;898,-406,0;941,-536,0;849,-638,0;715,-610,0;673,-479,0;356,-479,0;356,-616,0;237,-684,0;474,-684,0;237,-821,0;119,-889,0;0,-821,0;0,-684,0;119,-616,0;891,-768,0;800,-870,0;666,-841,0;842,-1000,0; ",APNVCAYADQJJBZ-UHFFFAOYSA-N
OSM-S-284,,9794037,,CN(CC(O)=N)CC1=CC=CC=C1,"InChI=1S/C10H14N2O/c1-12(8-10(11)13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,11,13)",LBOHKDOTRDQHGM-UHFFFAOYSA-N
OSM-S-285,,151411,,[H]N(CC(N)=O)C,"InChI=1S/C3H8N2O/c1-5-2-3(4)6/h5H,2H2,1H3,(H2,4,6)",CBBFWSMELCDMPZ-UHFFFAOYSA-N
OSM-S-286,,939880,,OC(CS/1)=NC1=N\C2=CC=CC=C2,"InChI=1S/C9H8N2OS/c12-8-6-13-9(11-8)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11,12)",IYGBTPGRKGQPLW-UHFFFAOYSA-N
OSM-S-287,AEW 35-1,459085,,CC1=CC=C(C)N1C2=CC=C([N+]([O-])=O)C=C2,"InChI=1S/C12H12N2O2/c1-9-3-4-10(2)13(9)11-5-7-12(8-6-11)14(15)16/h3-8H,1-2H3",JXJRCFOGAIXRCU-UHFFFAOYSA-N
OSM-S-288,AEW 45-1,2879704,,O=C([H])C1=C(C)N(C2=CC=C([N+]([O-])=O)C=C2)C(C)=C1,"InChI=1S/C13H12N2O3/c1-9-7-11(8-16)10(2)14(9)12-3-5-13(6-4-12)15(17)18/h3-8H,1-2H3",PGDZGAUIBGMQFD-UHFFFAOYSA-N
OSM-S-289,AEW 36-1,608518,,CC1=CC=C(C)N1C2=CC=C(OC)C=C2,"InChI=1S/C13H15NO/c1-10-4-5-11(2)14(10)12-6-8-13(15-3)9-7-12/h4-9H,1-3H3",ZJXMRHDTQFPICU-UHFFFAOYSA-N
OSM-S-29,LMW5,818156,,CC1=CC=C(N2C(C)=C(C=O)C=C2C)C=C1,"InChI=1S/C14H15NO/c1-10-4-6-14(7-5-10)15-11(2)8-13(9-16)12(15)3/h4-9H,1-3H3",YGUWNSYHYBHIIC-UHFFFAOYSA-N
OSM-S-290,AEW 46-1,615288,,O=C([H])C1=C(C)N(C(C)=C1)C2=CC=C(OC)C=C2,"InChI=1S/C14H15NO2/c1-10-8-12(9-16)11(2)15(10)13-4-6-14(17-3)7-5-13/h4-9H,1-3H3",APTDNVFPUFIPJW-UHFFFAOYSA-N
OSM-S-291,SSP-2,,MMV689968,ClC(C=CC=C1)=C1C2=NN=C3N2C(OCCC4=CC=CC=C4)=CN=C3,"InChI=1S/C19H15ClN4O/c20-16-9-5-4-8-15(16)19-23-22-17-12-21-13-18(24(17)19)25-11-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2",KVOZVIJYWCGSOW-UHFFFAOYSA-N
OSM-S-292,SSP-3,,MMV689969,ClC1=CC=CC(C2=NN=C3N2C(OCCC4=CC=CC=C4)=CN=C3)=C1,"InChI=1S/C19H15ClN4O/c20-16-8-4-7-15(11-16)19-23-22-17-12-21-13-18(24(17)19)25-10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2",CEOXEGPHOBLFBL-UHFFFAOYSA-N
OSM-S-293,SSP-4; EGT 90-1,,MMV663915,ClC(C=C1)=CC=C1C2=NN=C3N2C(OCCC4=CC=CC=C4)=CN=C3,"InChI=1S/C19H15ClN4O/c20-16-8-6-15(7-9-16)19-23-22-17-12-21-13-18(24(17)19)25-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2",VURCFSOLNXCMTN-UHFFFAOYSA-N
OSM-S-294,SSP-1,,MMV689970,C12=NN=C(C3=CC=CC=C3)N1C(OCCC4=CC=CC=C4)=CN=C2,"InChI=1S/C19H16N4O/c1-3-7-15(8-4-1)11-12-24-18-14-20-13-17-21-22-19(23(17)18)16-9-5-2-6-10-16/h1-10,13-14H,11-12H2",YRTHPBSIEMFKFB-UHFFFAOYSA-N
OSM-S-295,BX3-1,,MMV689971,FC1=CC(C2=NN=C3N2C(OCCC4=CC=CC=C4)=CN=C3)=CC(F)=C1,"InChI=1S/C19H14F2N4O/c20-15-8-14(9-16(21)10-15)19-24-23-17-11-22-12-18(25(17)19)26-7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2",OKECEFJCMLFHAN-UHFFFAOYSA-N
OSM-S-296,CX4-1,,MMV689972,C12=NN=C(C3=CC(OCO4)=C4C=C3)N1C(OCCC5=CC=CC=C5)=CN=C2,"InChI=1S/C20H16N4O3/c1-2-4-14(5-3-1)8-9-25-19-12-21-11-18-22-23-20(24(18)19)15-6-7-16-17(10-15)27-13-26-16/h1-7,10-12H,8-9,13H2",MMRQZVYZGCDPOA-UHFFFAOYSA-N
OSM-S-297,TY4-1,,MMV689973,C12=NN=C(C3=CC(C=CC=C4)=C4C=C3)N1C(OCCC5=CC=CC=C5)=CN=C2,"InChI=1S/C23H18N4O/c1-2-6-17(7-3-1)12-13-28-22-16-24-15-21-25-26-23(27(21)22)20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14-16H,12-13H2",SUHQKLHRXHBOST-UHFFFAOYSA-N
OSM-S-298,BX4-1,,MMV689974,FC1=CC(C2=NN=C3N2C(OCC4=NC=CC=C4)=CN=C3)=CC(F)=C1,"InChI=1S/C17H11F2N5O/c18-12-5-11(6-13(19)7-12)17-23-22-15-8-20-9-16(24(15)17)25-10-14-3-1-2-4-21-14/h1-9H,10H2",NQPLGASHZCSICG-UHFFFAOYSA-N
OSM-S-299,CX5-1,,MMV689975,C12=NN=C(C3=CC(OCO4)=C4C=C3)N1C(OCC5=NC=CC=C5)=CN=C2,"InChI=1S/C18H13N5O3/c1-2-6-20-13(3-1)10-24-17-9-19-8-16-21-22-18(23(16)17)12-4-5-14-15(7-12)26-11-25-14/h1-9H,10-11H2",UEDVUGBYRDYVEK-UHFFFAOYSA-N
OSM-S-3,"PMY6; JRC1; AEW7, MD1",57515633,,O=C(C1=C(C)N(C2=CC=C(F)C=C2)C(C)=C1)OCC,"InChI=1S/C15H16FNO2/c1-4-19-15(18)14-9-10(2)17(11(14)3)13-7-5-12(16)6-8-13/h5-9H,4H2,1-3H3",BFRWWAGLFICHEG-UHFFFAOYSA-N
OSM-S-30,LMW6,44122522,,CCOC(C1=C(C)N(C2=CC=C(C=C2)C)C(C)=C1)=O,"InChI=1S/C16H19NO2/c1-5-19-16(18)15-10-12(3)17(13(15)4)14-8-6-11(2)7-9-14/h6-10H,5H2,1-4H3",YFYVWGMFZWLSNW-UHFFFAOYSA-N
OSM-S-300,TY5-1,,MMV689976,C12=NN=C(C3=CC(C=CC=C4)=C4C=C3)N1C(OCC5=NC=CC=C5)=CN=C2,"InChI=1S/C21H15N5O/c1-2-6-16-11-17(9-8-15(16)5-1)21-25-24-19-12-22-13-20(26(19)21)27-14-18-7-3-4-10-23-18/h1-13H,14H2",GPNQKUMRVTXOHH-UHFFFAOYSA-N
OSM-S-301,AEW256-1,,MMV689977,FC(OC(C=C1)=CC=C1C2=NN=C3N2C(OCC4=NC=CC=C4)=CN=C3)F,"InChI=1S/C18H13F2N5O2/c19-18(20)27-14-6-4-12(5-7-14)17-24-23-15-9-21-10-16(25(15)17)26-11-13-3-1-2-8-22-13/h1-10,18H,11H2",APPUFQJFODJHGW-UHFFFAOYSA-N
OSM-S-302,AEW 85,,,ClC1=CN=CC(NN)=N1,"InChI=1S/C4H5ClN4/c5-3-1-7-2-4(8-3)9-6/h1-2H,6H2,(H,8,9)",FEDQSVIJHNBUHH-UHFFFAOYSA-N
OSM-S-303,JU 2; AEW 95,,,ClC1=CN=CC(N/N=C/C2=CC=C(C#N)C=C2)=N1,"InChI=1S/C12H8ClN5/c13-11-7-15-8-12(17-11)18-16-6-10-3-1-9(5-14)2-4-10/h1-4,6-8H,(H,17,18)/b16-6-",JXPYSNWZIOGOHZ-OMCISZLKSA-N
OSM-S-304,,,,ClC1=CN=CC(N/N=C/C2=CC=C(OC(F)(F)F)C=C2)=N1,"InChI=1S/C12H8ClF3N4O/c13-10-6-17-7-11(19-10)20-18-5-8-1-3-9(4-2-8)21-12(14,15)16/h1-7H,(H,19,20)/b18-5+",GUUAUYOTRNYECA-BLLMUTORSA-N
OSM-S-305,AEW 204; JU 18; EGT 24,,,ClC1=CN=CC(N/N=C/C2=CC=C(OC(F)F)C=C2)=N1,"InChI=1S/C12H9ClF2N4O/c13-10-6-16-7-11(18-10)19-17-5-8-1-3-9(4-2-8)20-12(14)15/h1-7,12H,(H,18,19)/b17-5+",CYDJTGOSSHSTHS-YAXRCOADSA-N
OSM-S-306,AEW 222,,,ClC1=CN=CC(N/N=C/C2=CC=CC=C2)=N1,"InChI=1S/C11H9ClN4/c12-10-7-13-8-11(15-10)16-14-6-9-4-2-1-3-5-9/h1-8H,(H,15,16)/b14-6",UCUKQBRUIXIMLG-MKMNVTDBSA-N
OSM-S-307,AEW 241,,,ClC1=CN=CC(N/N=C/C2=C(Cl)C=CC=C2)=N1,"InChI=1S/C11H8Cl2N4/c12-9-4-2-1-3-8(9)5-15-17-11-7-14-6-10(13)16-11/h1-7H,(H,16,17)/b15-5+",SNXIAAVENDVWTM-PJQLUOCWSA-N
OSM-S-308,AEW 242,,,ClC1=CN=CC(N/N=C/C2=CC(Cl)=CC=C2)=N1,"InChI=1S/C11H8Cl2N4/c12-9-3-1-2-8(4-9)5-15-17-11-7-14-6-10(13)16-11/h1-7H,(H,16,17)/b15-5+",FRLQOXBKEWQQKV-PJQLUOCWSA-N
OSM-S-309,JU7; BS16; BS17,,,ClC1=CN=CC(N/N=C/C2=CC=C(Cl)C=C2)=N1,"InChI=1S/C11H8Cl2N4/c12-9-3-1-8(2-4-9)5-15-17-11-7-14-6-10(13)16-11/h1-7H,(H,16,17)/b15-5+",IREXIIXDQDGVMX-PJQLUOCWSA-N
OSM-S-31,LMW8,2742171,,O=C(C1=C(C)N(C2=CC=CC=C2)C(C)=C1)OCC,"InChI=1S/C15H17NO2/c1-4-18-15(17)14-10-11(2)16(12(14)3)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3",LNBCSWPBLZPWKQ-UHFFFAOYSA-N
OSM-S-310,BSX 1-1,,,ClC1=CN=CC(N/N=C/C2=CC(F)=CC(F)=C2)=N1,"InChI=1S/C11H7ClF2N4/c12-10-5-15-6-11(17-10)18-16-4-7-1-8(13)3-9(14)2-7/h1-6H,(H,17,18)/b16-4+",ATLJHIAAGRJQMF-AYSLTRBKSA-N
OSM-S-311,CX 2-1,,,ClC1=CN=CC(N/N=C/C2=CC=C(OCO3)C3=C2)=N1,"InChI=1S/C12H9ClN4O2/c13-11-5-14-6-12(16-11)17-15-4-8-1-2-9-10(3-8)19-7-18-9/h1-6H,7H2,(H,16,17)/b15-4+",PUQNFHOOSPMUIC-SYZQJQIISA-N
OSM-S-312,TY 2-1,,,ClC1=CN=CC(N/N=C/C2=CC=C(C=CC=C3)C3=C2)=N1,"InChI=1S/C15H11ClN4/c16-14-9-17-10-15(19-14)20-18-8-11-5-6-12-3-1-2-4-13(12)7-11/h1-10H,(H,19,20)/b18-8+",PQYRTCLHHVFISH-QGMBQPNBSA-N
OSM-S-313,AEW 225,,,ClC1=CN=CC(N/N=C/C2=CC=C(C(F)(F)F)N=C2)=N1,"InChI=1S/C11H7ClF3N5/c12-9-5-16-6-10(19-9)20-18-4-7-1-2-8(17-3-7)11(13,14)15/h1-6H,(H,19,20)/b18-4+",WGIQRWUYJGTEQZ-JJPRUIFNSA-N
OSM-S-314,AEW 244; MRLS 3,,,ClC1=CN=CC(N/N=C/C2CCCN(C2)C(OC(C)(C)C)=O)=N1,"InChI=1S/C15H22ClN5O2/c1-15(2,3)23-14(22)21-6-4-5-11(10-21)7-18-20-13-9-17-8-12(16)19-13/h7-9,11H,4-6,10H2,1-3H3,(H,19,20)/b18-7+",SFWCGERLWZCMLH-CNHKJKLMSA-N
OSM-S-315,AEW 224,,,ClC1=CN=CC(N/N=C/C2CCCCC2)=N1,"InChI=1S/C11H15ClN4/c12-10-7-13-8-11(15-10)16-14-6-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16)/b14-6+",HJIMKTGTAZWIDY-MKMNVTDBSA-N
OSM-S-316,AEW 217-1,,,ClC1=CN=CC(N/N=C/CC)=N1,"InChI=1S/C7H9ClN4/c1-2-3-10-12-7-5-9-4-6(8)11-7/h3-5H,2H2,1H3,(H,11,12)/b10-3+",WLEOFHUCRYXNSK-XCVCLJGOSA-N
OSM-S-317,AEW 251-1,,,ClC1=CN=CC2=NN=C(C3=CC=C(OC(F)(F)F)C=C3)N21,"InChI=1S/C12H6ClF3N4O/c13-9-5-17-6-10-18-19-11(20(9)10)7-1-3-8(4-2-7)21-12(14,15)16/h1-6H",SULQSGIMGSOUEQ-UHFFFAOYSA-N
OSM-S-318,JU 13,,,ClC1=NC(N/N=C/C2=CC=NC=C2)=CN=C1,"InChI=1S/C10H8ClN5/c11-9-6-13-7-10(15-9)16-14-5-8-1-3-12-4-2-8/h1-7H,(H,15,16)/b14-5+",JCWOMYIUAFLDIJ-LHHJGKSTSA-N
OSM-S-319,BSX 2-1,,,ClC(N12)=CN=CC1=NN=C2C3=CC(F)=CC(F)=C3,InChI=1S/C11H5ClF2N4/c12-9-4-15-5-10-16-17-11(18(9)10)6-1-7(13)3-8(14)2-6/h1-5H,NFVUSAFBLAWQND-UHFFFAOYSA-N
OSM-S-32,LMW9,57515640,,O=C(C1=C(C)N(C2=CC=C(C(F)(F)F)C=C2)C(C)=C1)OCC,"InChI=1S/C16H16F3NO2/c1-4-22-15(21)14-9-10(2)20(11(14)3)13-7-5-12(6-8-13)16(17,18)19/h5-9H,4H2,1-3H3",DSKJELKQHGKPCX-UHFFFAOYSA-N
OSM-S-320,AEW 227-1,,,ClC(N12)=CN=CC1=NN=C2C3=CN=C(C(F)(F)F)C=C3,"InChI=1S/C11H5ClF3N5/c12-8-4-16-5-9-18-19-10(20(8)9)6-1-2-7(17-3-6)11(13,14)15/h1-5H",CKNXMTZWYJZPBG-UHFFFAOYSA-N
OSM-S-321,AEW 226,,,ClC(N12)=CN=CC1=NN=C2C3CCCCC3,"InChI=1S/C11H13ClN4/c12-9-6-13-7-10-14-15-11(16(9)10)8-4-2-1-3-5-8/h6-8H,1-5H2",VQSQFDRQCNZKOD-UHFFFAOYSA-N
OSM-S-322,AEW 218,,,CCC1=NN=C2C=NC=C(N21)Cl,"InChI=1S/C7H7ClN4/c1-2-6-10-11-7-4-9-3-5(8)12(6)7/h3-4H,2H2,1H3",ABRDHKGOZVLFFA-UHFFFAOYSA-N
OSM-S-323,AEW 245,,,ClC(N12)=CN=CC1=NN=C2C3CCCN(C3)C(OC(C)(C)C)=O,"InChI=1S/C15H20ClN5O2/c1-15(2,3)23-14(22)20-6-4-5-10(9-20)13-19-18-12-8-17-7-11(16)21(12)13/h7-8,10H,4-6,9H2,1-3H3",GRNMIZRYYNSOPO-UHFFFAOYSA-N
OSM-S-324,AEW 205; JU 19,,,ClC1=CN=CC2=NN=C(C3=CC=C(OC(F)F)C=C3)N21,"InChI=1S/C12H7ClF2N4O/c13-9-5-16-6-10-17-18-11(19(9)10)7-1-3-8(4-2-7)20-12(14)15/h1-6,12H",DNBISPSZPAUUNV-UHFFFAOYSA-N
OSM-S-325,AEW 231,,,ClC(N12)=CN=CC1=NN=C2C3=CC=CC=C3,InChI=1S/C11H7ClN4/c12-9-6-13-7-10-14-15-11(16(9)10)8-4-2-1-3-5-8/h1-7H,SRHVJMRAKIWKAP-UHFFFAOYSA-N
OSM-S-326,TY 3-1,,,ClC(N12)=CN=CC1=NN=C2C3=CC(C=CC=C4)=C4C=C3,InChI=1S/C15H9ClN4/c16-13-8-17-9-14-18-19-15(20(13)14)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,ZSUGLDWMTRDRDG-UHFFFAOYSA-N
OSM-S-327,CX 3-1,,,ClC(N12)=CN=CC1=NN=C2C3=CC(OCO4)=C4C=C3,"InChI=1S/C12H7ClN4O2/c13-10-4-14-5-11-15-16-12(17(10)11)7-1-2-8-9(3-7)19-6-18-8/h1-5H,6H2",RQHTTXMVEFPWCL-UHFFFAOYSA-N
OSM-S-328,,,,OC1=CN=CC2=NN=C(C3=CC=C(OC(F)F)C=C3)N21,"InChI=1S/C12H8F2N4O2/c13-12(14)20-8-3-1-7(2-4-8)11-17-16-9-5-15-6-10(19)18(9)11/h1-6,12,19H",LKGFFHYSCHTNJQ-UHFFFAOYSA-N
OSM-S-329,AEW 102,,,FC1=C(F)C=C(C(C(O)=O)O)C=C1,"InChI=1S/C8H6F2O3/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13)",BKHXODARAOCNDJ-UHFFFAOYSA-N
OSM-S-33,ZYH1,1800795,,CC1=CC=C(C)N1C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2,"InChI=1S/C14H11F6N/c1-8-3-4-9(2)21(8)12-6-10(13(15,16)17)5-11(7-12)14(18,19)20/h3-7H,1-2H3",KUDHKDYSHKOCTC-UHFFFAOYSA-N
OSM-S-330,AEW 127-1,,,FC1=C(F)C=C(C(C(OC)=O)OC)C=C1,"InChI=1S/C10H10F2O3/c1-14-9(10(13)15-2)6-3-4-7(11)8(12)5-6/h3-5,9H,1-2H3",HUBRZTQUTPZCPX-UHFFFAOYSA-N
OSM-S-331,AEW 144-1,,,FC1=C(F)C=C(C(CO)OC)C=C1,"InChI=1S/C9H10F2O2/c1-13-9(5-12)6-2-3-7(10)8(11)4-6/h2-4,9,12H,5H2,1H3",PUCLAEJNAPEKLS-UHFFFAOYSA-N
OSM-S-332,JU 14; AEW 203-1,,,ClC1=CN=CC2=NN=C(C3=CC=NC=C3)N21,InChI=1S/C10H6ClN5/c11-8-5-13-6-9-14-15-10(16(8)9)7-1-3-12-4-2-7/h1-6H,KTELFDVJLULJPK-UHFFFAOYSA-N
OSM-S-333,,,,ClC(N12)=CN=CC1=NN=C2C3=CC(Cl)=CC=C3,InChI=1S/C11H6Cl2N4/c12-8-3-1-2-7(4-8)11-16-15-10-6-14-5-9(13)17(10)11/h1-6H,IBCZRFPVYKMZGT-UHFFFAOYSA-N
OSM-S-334,,,,ClC(N12)=CN=CC1=NN=C2C3=C(Cl)C=CC=C3,InChI=1S/C11H6Cl2N4/c12-8-4-2-1-3-7(8)11-16-15-10-6-14-5-9(13)17(10)11/h1-6H,DLOREBWFAAUZAK-UHFFFAOYSA-N
OSM-S-335,,,,O=C(OCC)C(CO)C1=CC=CC=C1,"InChI=1S/C11H14O3/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h3-7,10,12H,2,8H2,1H3",NVWZHTVEPJITPR-UHFFFAOYSA-N
OSM-S-336,AEW 173,,,OC(C(OC)=O)C1=CC=CC=C1,"InChI=1S/C9H10O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8,10H,1H3",ITATYELQCJRCCK-UHFFFAOYSA-N
OSM-S-337,AEW 184-1,,,O=C(OC)C(OC)C1=CC=CC=C1,"InChI=1S/C10H12O3/c1-12-9(10(11)13-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3",SMHXGVJSDWUGKC-UHFFFAOYSA-N
OSM-S-338,AEW 187-1,,,OCC(OC)C1=CC=CC=C1,"InChI=1S/C9H12O2/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3",JDTUPLBMGDDPJS-UHFFFAOYSA-N
OSM-S-339,AEW 109; SJD 3; HM 5,,,O=C(OC)C(OC1OCCCC1)C2=CC=CC=C2,"InChI=1S/C14H18O4/c1-16-14(15)13(11-7-3-2-4-8-11)18-12-9-5-6-10-17-12/h2-4,7-8,12-13H,5-6,9-10H2,1H3",OIODXZPBINGTGA-UHFFFAOYSA-N
OSM-S-34,ZYH2,2781522,,CC1=C(C=O)C=C(C)N1C2=CC=C(C(F)(F)F)C=C2,"InChI=1S/C14H12F3NO/c1-9-7-11(8-19)10(2)18(9)13-5-3-12(4-6-13)14(15,16)17/h3-8H,1-2H3",FNMOTVDVAVQQDQ-UHFFFAOYSA-N
OSM-S-340,AEW 221; SJD 4,,,OCC(OC1OCCCC1)C2=CC=CC=C2,"InChI=1S/C13H18O3/c14-10-12(11-6-2-1-3-7-11)16-13-8-4-5-9-15-13/h1-3,6-7,12-14H,4-5,8-10H2",BCDVRNCZMZEOBT-UHFFFAOYSA-N
OSM-S-341,AEW 174,,,N[C@@H](CO)C1=CC=CC=C1,"InChI=1S/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m0/s1",IJXJGQCXFSSHNL-QMMMGPOBSA-N
OSM-S-342,AEW 210,,,O=C(O)[C@H](NC(O)=O)C1=CC=CC=C1,"InChI=1S/C9H9NO4/c11-8(12)7(10-9(13)14)6-4-2-1-3-5-6/h1-5,7,10H,(H,11,12)(H,13,14)/t7-/m1/s1",RRTQTOBOLIGMED-SSDOTTSWSA-N
OSM-S-343,AEW 188; AEW 212,,,OC[C@H](NC)C1=CC=CC=C1,"InChI=1S/C9H13NO/c1-10-9(7-11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3",ULIMZYAYESNNIP-UHFFFAOYSA-N
OSM-S-344,AEW 261-1,,,OC[C@H](N(C)C)C1=CC=CC=C1,"InChI=1S/C10H15NO/c1-11(2)10(8-12)9-6-4-3-5-7-9/h3-7,10,12H,8H2,1-2H3",RDSMPQNNVZOQRI-UHFFFAOYSA-N
OSM-S-345,AEW 267-1,,,O=C(OCC)C(C1=CC=CC=C1)COC2=CN=CC3=NN=C(C4=CC=C(OC(F)F)C=C4)N32,"InChI=1S/C23H20F2N4O4/c1-2-31-22(30)18(15-6-4-3-5-7-15)14-32-20-13-26-12-19-27-28-21(29(19)20)16-8-10-17(11-9-16)33-23(24)25/h3-13,18,23H,2,14H2,1H3",QJIQBIRQSSHLPV-UHFFFAOYSA-N
OSM-S-346,AEW 284-1,,MMV693148,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC(C)C4=CC=C(Cl)C(Cl)=C4)N32,"InChI=1S/C20H14Cl2F2N4O2/c1-11(13-4-7-15(21)16(22)8-13)29-18-10-25-9-17-26-27-19(28(17)18)12-2-5-14(6-3-12)30-20(23)24/h2-11,20H,1H3",ILDZQTSEZGQWFR-UHFFFAOYSA-N
OSM-S-347,AEW 285-1,,MMV693149,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC4=CC=C(Cl)C(Cl)=C4)N32,"InChI=1S/C19H12Cl2F2N4O2/c20-14-6-1-11(7-15(14)21)10-28-17-9-24-8-16-25-26-18(27(16)17)12-2-4-13(5-3-12)29-19(22)23/h1-9,19H,10H2",CSHOSFVEVPHTHZ-UHFFFAOYSA-N
OSM-S-348,AEW 286-1,,MMV693150,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC4=CC=C(Cl)C=C4)N32,"InChI=1S/C19H13ClF2N4O2/c20-14-5-1-12(2-6-14)11-27-17-10-23-9-16-24-25-18(26(16)17)13-3-7-15(8-4-13)28-19(21)22/h1-10,19H,11H2",ROAUWAVERUYYHI-UHFFFAOYSA-N
OSM-S-349,AEW 290-1,,MMV693151,FC(C=C1)=C(F)C=C1C2=NN=C3C=NC=C(OCCC4=CC=CC=C4)N32,"InChI=1S/C19H14F2N4O/c20-15-7-6-14(10-16(15)21)19-24-23-17-11-22-12-18(25(17)19)26-9-8-13-4-2-1-3-5-13/h1-7,10-12H,8-9H2",DNQWZOZQWWSJTR-UHFFFAOYSA-N
OSM-S-35,ZYH3; PMY47; MNR93,6016153,MMV689018,CC1=C(/C=C2S/C(NC\2=O)=N\C3=CC=CC=C3)C=C(C)N1C4=CC=CC=C4,"InChI=1S/C22H19N3OS/c1-15-13-17(16(2)25(15)19-11-7-4-8-12-19)14-20-21(26)24-22(27-20)23-18-9-5-3-6-10-18/h3-14H,1-2H3,(H,23,24,26)/b20-14-",QTDBAHFMTAMGMZ-ZHZULCJRSA-N
OSM-S-350,AEW 291-1,,MMV693152,ClC(C=C1)=C(Cl)C=C1C2=NN=C3C=NC=C(OCCC4=CC=CC=C4)N32,"InChI=1S/C19H14Cl2N4O/c20-15-7-6-14(10-16(15)21)19-24-23-17-11-22-12-18(25(17)19)26-9-8-13-4-2-1-3-5-13/h1-7,10-12H,8-9H2",DJLRRTBQGVDDPH-UHFFFAOYSA-N
OSM-S-351,AEW 292-1,,MMV693153,ClC1=CC=CC(C2=NN=C3C=NC=C(OCCC4=CC=CC=C4)N32)=C1Cl,"InChI=1S/C19H14Cl2N4O/c20-15-8-4-7-14(18(15)21)19-24-23-16-11-22-12-17(25(16)19)26-10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2",NMFGGQYGCNANQR-UHFFFAOYSA-N
OSM-S-352,AEW 293-1,,MMV693154,FC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCC4=CC=CC=C4)N32,"InChI=1S/C19H15FN4O/c20-16-8-6-15(7-9-16)19-23-22-17-12-21-13-18(24(17)19)25-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2",QCWQNZCCYWUBQM-UHFFFAOYSA-N
OSM-S-353,AEW 270-1; AEW 294-1; AEW 317-1,,MMV693155,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(C4=CC=CC=C4)CO)N32,"InChI=1S/C21H18F2N4O3/c22-21(23)30-17-8-6-15(7-9-17)20-26-25-18-10-24-11-19(27(18)20)29-13-16(12-28)14-4-2-1-3-5-14/h1-11,16,21,28H,12-13H2",MGANJQKOPZQELF-UHFFFAOYSA-N
OSM-S-354,AEW 295-1,,,OC(C)(C)COC1=CN=CC2=NN=C(C3=CC=C(OC(F)(F)F)C=C3)N21,"InChI=1S/C16H15F3N4O3/c1-15(2,24)9-25-13-8-20-7-12-21-22-14(23(12)13)10-3-5-11(6-4-10)26-16(17,18)19/h3-8,24H,9H2,1-2H3",DFKSAMALDVOYGD-UHFFFAOYSA-N
OSM-S-355,,,,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(C4=CC=CC=C4)CN)N32,"InChI=1S/C21H19F2N5O2/c22-21(23)30-17-8-6-15(7-9-17)20-27-26-18-11-25-12-19(28(18)20)29-13-16(10-24)14-4-2-1-3-5-14/h1-9,11-12,16,21H,10,13,24H2",ZAYFESUSYJEUPU-UHFFFAOYSA-N
OSM-S-356,,,,OC(C1=CC=CC=C1)COC2=CN=CC3=NN=C(C4=NC=CC=C4)N32,"InChI=1S/C18H15N5O2/c24-15(13-6-2-1-3-7-13)12-25-17-11-19-10-16-21-22-18(23(16)17)14-8-4-5-9-20-14/h1-11,15,24H,12H2",LPWNUIYBRNJSHM-UHFFFAOYSA-N
OSM-S-357,,,,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(C)(C)OC)N32,"InChI=1S/C17H18F2N4O3/c1-17(2,24-3)10-25-14-9-20-8-13-21-22-15(23(13)14)11-4-6-12(7-5-11)26-16(18)19/h4-9,16H,10H2,1-3H3",QPGDQEMNKJULOO-UHFFFAOYSA-N
OSM-S-358,,,,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(C4=CC=CC=C4)N(C)C)N32,"InChI=1S/C22H21F2N5O2/c1-28(2)18(15-6-4-3-5-7-15)14-30-20-13-25-12-19-26-27-21(29(19)20)16-8-10-17(11-9-16)31-22(23)24/h3-13,18,22H,14H2,1-2H3",WSXRPWJACRAQOI-UHFFFAOYSA-N
OSM-S-359,EGT 48-1,,MMV693161,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(SCC4=CC=CC=C4)N32,"InChI=1S/C19H14F2N4OS/c20-19(21)26-15-8-6-14(7-9-15)18-24-23-16-10-22-11-17(25(16)18)27-12-13-4-2-1-3-5-13/h1-11,19H,12H2",KEZIWQVAJDNGBM-UHFFFAOYSA-N
OSM-S-36,ZYH4,57515641,,CC1=C(C=O)C=C(C)N1C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2,"InChI=1S/C15H11F6NO/c1-8-3-10(7-23)9(2)22(8)13-5-11(14(16,17)18)4-12(6-13)15(19,20)21/h3-7H,1-2H3",ZPNXIXBDNHGLNY-UHFFFAOYSA-N
OSM-S-360,EGT 45-1,,MMV693162,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(S(CC4=CC=CC=C4)=O)N32,"InChI=1S/C19H14F2N4O2S/c20-19(21)27-15-8-6-14(7-9-15)18-24-23-16-10-22-11-17(25(16)18)28(26)12-13-4-2-1-3-5-13/h1-11,19H,12H2",HSYPMILIAZBMAQ-UHFFFAOYSA-N
OSM-S-361,EGT 39-1,,MMV693163,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(S(CC4=CC=CC=C4)(=O)=O)N32,"InChI=1S/C19H14F2N4O3S/c20-19(21)28-15-8-6-14(7-9-15)18-24-23-16-10-22-11-17(25(16)18)29(26,27)12-13-4-2-1-3-5-13/h1-11,19H,12H2",OCXPXTXAACVDON-UHFFFAOYSA-N
OSM-S-362,EGT 51-4,,MMV693165,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(N4N=NC(C5=CC=CC=C5)=C4)N32,"InChI=1S/C20H13F2N7O/c21-20(22)30-15-8-6-14(7-9-15)19-26-25-17-10-23-11-18(29(17)19)28-12-16(24-27-28)13-4-2-1-3-5-13/h1-12,20H",WUWMNWSXMOOYGG-UHFFFAOYSA-N
OSM-S-363,EGT 52-1,,MMV693164,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(SCCC4=CC=CC=C4)N32,"InChI=1S/C20H16F2N4OS/c21-20(22)27-16-8-6-15(7-9-16)19-25-24-17-12-23-13-18(26(17)19)28-11-10-14-4-2-1-3-5-14/h1-9,12-13,20H,10-11H2",GFJJCWGNCVLFNL-UHFFFAOYSA-N
OSM-S-364,EGT 63-1,,MMV693167,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(S(CCC4=CC=CC=C4)=O)N32,"InChI=1S/C20H16F2N4O2S/c21-20(22)28-16-8-6-15(7-9-16)19-25-24-17-12-23-13-18(26(17)19)29(27)11-10-14-4-2-1-3-5-14/h1-9,12-13,20H,10-11H2",XRLPEWWQEWQISU-UHFFFAOYSA-N
OSM-S-365,EGT 60-1,,MMV693166,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(S(CCC4=CC=CC=C4)(=O)=O)N32,"InChI=1S/C20H16F2N4O3S/c21-20(22)29-16-8-6-15(7-9-16)19-25-24-17-12-23-13-18(26(17)19)30(27,28)11-10-14-4-2-1-3-5-14/h1-9,12-13,20H,10-11H2",VHMNWOXAYNBRAI-UHFFFAOYSA-N
OSM-S-366,"AEW 296-1, PCCBTAK-0272",,MMV670936,FC(F)(F)C(C=C1)=NC=C1C2=NN=C3C=NC=C(OCCC4=CC(F)=C(F)C=C4)N32,"InChI=1S/C19H12F5N5O/c20-13-3-1-11(7-14(13)21)5-6-30-17-10-25-9-16-27-28-18(29(16)17)12-2-4-15(26-8-12)19(22,23)24/h1-4,7-10H,5-6H2",GIBSJTKADOSTIA-UHFFFAOYSA-N
OSM-S-367,EGT 95-3,,MMV670246,O=C(NC1=CC=C(Cl)C=C1)C2=CN=CC3=NN=C(C4=CC=C(OC(F)F)C=C4)N32,"InChI=1S/C19H12ClF2N5O2/c20-12-3-5-13(6-4-12)24-18(28)15-9-23-10-16-25-26-17(27(15)16)11-1-7-14(8-2-11)29-19(21)22/h1-10,19H,(H,24,28)",CAFUHAVOTBMKAN-UHFFFAOYSA-N
OSM-S-368,EGT 96-1,,MMV897697,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC4=CC=CC=C4)N32,"InChI=1S/C19H14F2N4O2/c20-19(21)27-15-8-6-14(7-9-15)18-24-23-16-10-22-11-17(25(16)18)26-12-13-4-2-1-3-5-13/h1-11,19H,12H2",BHCAOWNYTVGIBQ-UHFFFAOYSA-N
OSM-S-369,EGT 92-1,,MMV897698,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCC4=CC=CC=C4)N32,"InChI=1S/C20H16F2N4O2/c21-20(22)28-16-8-6-15(7-9-16)19-25-24-17-12-23-13-18(26(17)19)27-11-10-14-4-2-1-3-5-14/h1-9,12-13,20H,10-11H2",AVBCIJLYABLIRW-UHFFFAOYSA-N
OSM-S-37 ,ZYH5; AEW76,57515642,MMV689019,CC1=C(/C=C2S/C(NC\2=O)=N\C3=CC=CC=C3)C=C(C)N1C4=CC=C(C)C=C4,"InChI=1S/C23H21N3OS/c1-15-9-11-20(12-10-15)26-16(2)13-18(17(26)3)14-21-22(27)25-23(28-21)24-19-7-5-4-6-8-19/h4-14H,1-3H3,(H,24,25,27)/b21-14-",XCTPMKNSBDOHRB-STZFKDTASA-N
OSM-S-370,EGT 64-1,,MMV897699,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCCC45C6C7C4C8C5C6C87)N32,"InChI=1S/C23H20F2N4O2/c24-22(25)31-11-4-2-10(3-5-11)21-28-27-12-8-26-9-13(29(12)21)30-7-1-6-23-18-15-14-16(18)20(23)17(14)19(15)23/h2-5,8-9,14-20,22H,1,6-7H2",VWHKKURDRVBXMI-UHFFFAOYSA-N
OSM-S-371,EGT 65-1,,MMV897700,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCC4(C56)C7C6C8C5C4C87)N32,"InChI=1S/C22H18F2N4O2/c23-21(24)30-10-3-1-9(2-4-10)20-27-26-11-7-25-8-12(28(11)20)29-6-5-22-17-14-13-15(17)19(22)16(13)18(14)22/h1-4,7-8,13-19,21H,5-6H2",RXAWCKZPAXRRNE-UHFFFAOYSA-N
OSM-S-372,EGT 82-1,,MMV897701,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC4=CN(CC5=CC=CC=C5)N=N4)N32,"InChI=1S/C22H17F2N7O2/c23-22(24)33-18-8-6-16(7-9-18)21-28-27-19-10-25-11-20(31(19)21)32-14-17-13-30(29-26-17)12-15-4-2-1-3-5-15/h1-11,13,22H,12,14H2",MWSSDSZTHFIITL-UHFFFAOYSA-N
OSM-S-373,EGT 101-1,,MMV897702,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(N=N4)=CN4C5=CC=CC=C5)N32,"InChI=1S/C21H15F2N7O2/c22-21(23)32-17-8-6-14(7-9-17)20-27-26-18-10-24-11-19(30(18)20)31-13-15-12-29(28-25-15)16-4-2-1-3-5-16/h1-12,21H,13H2",JAWVVMAXICVBNV-UHFFFAOYSA-N
OSM-S-374,EGT 105-2,,MMV897703,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC4=CN(C5=NC(Cl)=CN=C5)N=N4)N32,"InChI=1S/C19H12ClF2N9O2/c20-14-5-23-6-15(25-14)30-9-12(26-29-30)10-32-17-8-24-7-16-27-28-18(31(16)17)11-1-3-13(4-2-11)33-19(21)22/h1-9,19H,10H2",LHPHPSWVDUENHC-UHFFFAOYSA-N
OSM-S-375,EGT 117-1,,MMV897704,IC12C(C3C1C4C52)C5C34C6=NN=C7C=NC=C(OCCC8=CC(F)=C(F)C=C8)N76,"InChI=1S/C21H15F2IN4O/c22-9-2-1-8(5-10(9)23)3-4-29-12-7-25-6-11-26-27-19(28(11)12)20-13-16-14(20)18-15(20)17(13)21(16,18)24/h1-2,5-7,13-18H,3-4H2",XDGWZNAHVCGVML-UHFFFAOYSA-N
OSM-S-376,AEW 314-1,,MMV897708,OC(C1=CC(F)=C(F)C=C1)COC2=CN=CC3=NN=C(C4=CC=C(C#N)C=C4)N32,"InChI=1S/C20H13F2N5O2/c21-15-6-5-14(7-16(15)22)17(28)11-29-19-10-24-9-18-25-26-20(27(18)19)13-3-1-12(8-23)2-4-13/h1-7,9-10,17,28H,11H2",HHHWRCNBDNZMPN-UHFFFAOYSA-N
OSM-S-377,INHERITED,,MMV670652,FC(C=C1)=C(F)C=C1C(OC(F)F)COC2=CN=CC3=NN=C(C4=CC=C(C#N)C=C4)N32,"InChI=1S/C21H13F4N5O2/c22-15-6-5-14(7-16(15)23)17(32-21(24)25)11-31-19-10-27-9-18-28-29-20(30(18)19)13-3-1-12(8-26)2-4-13/h1-7,9-10,17,21H,11H2",LHSRVKYAEUESTK-UHFFFAOYSA-N
OSM-S-378,EGT 145-2,,MMV897707,FC1=C(F)C=CC(C(N(C)C)COC2=CN=CC3=NN=C(C4=CC=C(C#N)C=C4)N32)=C1,"InChI=1S/C22H18F2N6O/c1-29(2)19(16-7-8-17(23)18(24)9-16)13-31-21-12-26-11-20-27-28-22(30(20)21)15-5-3-14(10-25)4-6-15/h3-9,11-12,19H,13H2,1-2H3",MQNJSHHRLBVVLU-UHFFFAOYSA-N
OSM-S-379,EGT 141-1,,MMV670767,FC(C(Cl)=C1)=CC=C1NC(C2=CN=CC3=NN=C(C4=CC=C(OC(F)F)C=C4)N32)=O,"InChI=1S/C19H11ClF3N5O2/c20-13-7-11(3-6-14(13)21)25-18(29)15-8-24-9-16-26-27-17(28(15)16)10-1-4-12(5-2-10)30-19(22)23/h1-9,19H,(H,25,29)",WFJPUMPZNOYIKX-UHFFFAOYSA-N
OSM-S-38,ZYH6,57515643,,CC1=CC(/C=C(C(N/2)=O)\SC2=N/C3=CC=CC=C3)=C(C)N1C(C=C4)=CC=C4C(F)(F)F,"InChI=1S/C23H18F3N3OS/c1-14-12-16(15(2)29(14)19-10-8-17(9-11-19)23(24,25)26)13-20-21(30)28-22(31-20)27-18-6-4-3-5-7-18/h3-13H,1-2H3,(H,27,28,30)/b20-13-",YBBWTVGRVHTTDD-MOSHPQCFSA-N
OSM-S-380,PCCBTAK-0194,,MMV669848,FC(OC(C=C1)=CC=C1C2=NN=C3C=NC=C(CN4CC(C=CC=C5)=C5C4)N32)F,"InChI=1S/C21H17F2N5O/c22-21(23)29-18-7-5-14(6-8-18)20-26-25-19-10-24-9-17(28(19)20)13-27-11-15-3-1-2-4-16(15)12-27/h1-10,21H,11-13H2",
OSM-S-381,INHERITED,,MMV670947,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(CO)C4=CC(F)=C(F)C=C4)N32,"InChI=1S/C21H16F4N4O3/c22-16-6-3-13(7-17(16)23)14(10-30)11-31-19-9-26-8-18-27-28-20(29(18)19)12-1-4-15(5-2-12)32-21(24)25/h1-9,14,21,30H,10-11H2",MKSKANAVVSFYNL-UHFFFAOYSA-N
OSM-S-382,EGT 123-1,,MMV897710,IC12C3C4C5(C3C1C5C24)C6=NN=C7C=NC=C(C(NC8=CC(C(F)(F)F)=NC=C8)=O)N76,"InChI=1S/C20H12F3IN6O/c21-20(22,23)8-3-6(1-2-26-8)27-16(31)7-4-25-5-9-28-29-17(30(7)9)18-10-13-11(18)15-12(18)14(10)19(13,15)24/h1-5,10-15H,(H,26,27,31)",BCBDEZPMCZDSAL-UHFFFAOYSA-N
OSM-S-383,EGT 147-1,,MMV897711,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCC4=CC(OC)=CC=C4)N32,"InChI=1S/C21H18F2N4O3/c1-28-17-4-2-3-14(11-17)9-10-29-19-13-24-12-18-25-26-20(27(18)19)15-5-7-16(8-6-15)30-21(22)23/h2-8,11-13,21H,9-10H2,1H3",QAMQLYPPZOESDX-UHFFFAOYSA-N
OSM-S-384,EGT 148-1,,MMV897712,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCC4=CC=C(OC)C=C4)N32,"InChI=1S/C21H18F2N4O3/c1-28-16-6-2-14(3-7-16)10-11-29-19-13-24-12-18-25-26-20(27(18)19)15-4-8-17(9-5-15)30-21(22)23/h2-9,12-13,21H,10-11H2,1H3",LPQFPIUFNNSFCQ-UHFFFAOYSA-N
OSM-S-385,EGT 159-1,,MMV897713,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC(C)C4=CC=C(F)C(F)=C4)N32,"InChI=1S/C20H14F4N4O2/c1-11(13-4-7-15(21)16(22)8-13)29-18-10-25-9-17-26-27-19(28(17)18)12-2-5-14(6-3-12)30-20(23)24/h2-11,20H,1H3",RNNQYJKGWRNSLV-UHFFFAOYSA-N
OSM-S-386,EGT 160-1,,MMV897714,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC(C)C4=CC=C(C#N)C=C4)N32,"InChI=1S/C21H15F2N5O2/c1-13(15-4-2-14(10-24)3-5-15)29-19-12-25-11-18-26-27-20(28(18)19)16-6-8-17(9-7-16)30-21(22)23/h2-9,11-13,21H,1H3",OXTDVKYGNRAXGV-UHFFFAOYSA-N
OSM-S-387,EGT 151-1,,MMV897706,FC(C=C1)=C(F)C=C1CCOC2=CN=CC3=NN=CN32,"InChI=1S/C13H10F2N4O/c14-10-2-1-9(5-11(10)15)3-4-20-13-7-16-6-12-18-17-8-19(12)13/h1-2,5-8H,3-4H2",YHNADHDORQAQNL-UHFFFAOYSA-N
OSM-S-388,HM 8-1,,MMV897705,OC1=CN=CC2=NN=C(N3CCCCC3)N21,"InChI=1S/C10H13N5O/c16-9-7-11-6-8-12-13-10(15(8)9)14-4-2-1-3-5-14/h6-7,16H,1-5H2",SMLXPIMVJWUYAO-UHFFFAOYSA-N
OSM-S-389,EGT 169-1,,MMV897763,FC1=C(C=CC(C(COC2=CN=CC3=NN=C(N32)C4=CC=C(OC(F)F)C=C4)N(C)C)=C1)F,"InChI=1S/C22H19F4N5O2/c1-30(2)18(14-5-8-16(23)17(24)9-14)12-32-20-11-27-10-19-28-29-21(31(19)20)13-3-6-15(7-4-13)33-22(25)26/h3-11,18,22H,12H2,1-2H3",PMIWBIXSAYKRGF-UHFFFAOYSA-N
OSM-S-390,EGT 171-1,,MMV672687,FC(OC1=CC=C(C2=NN=C3C=NC=C(N32)OCC(C4=CC(F)=C(C=C4)F)O)C=C1)F,"InChI=1S/C20H14F4N4O3/c21-14-6-3-12(7-15(14)22)16(29)10-30-18-9-25-8-17-26-27-19(28(17)18)11-1-4-13(5-2-11)31-20(23)24/h1-9,16,20,29H,10H2",BXEWPSCIVPVASC-UHFFFAOYSA-N
OSM-S-391,EGT 176-1,,,IC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCC4=CC(F)=C(F)C=C4)N32,"InChI=1S/C19H13F2IN4O/c20-15-6-1-12(9-16(15)21)7-8-27-18-11-23-10-17-24-25-19(26(17)18)13-2-4-14(22)5-3-13/h1-6,9-11H,7-8H2",SYOXDOQMLHMQGB-UHFFFAOYSA-N
OSM-S-392,EGT 190-3,,,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(C4=CC(F)=C(F)C=C4)=O)N32,"InChI=1S/C20H12F4N4O3/c21-14-6-3-12(7-15(14)22)16(29)10-30-18-9-25-8-17-26-27-19(28(17)18)11-1-4-13(5-2-11)31-20(23)24/h1-9,20H,10H2",OPCIMEMUOABUMK-UHFFFAOYSA-N
OSM-S-393,EGT 191-1,,,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(OC)(OC)C4=CC(F)=C(F)C=C4)N32,"InChI=1S/C22H18F4N4O4/c1-31-22(32-2,14-5-8-16(23)17(24)9-14)12-33-19-11-27-10-18-28-29-20(30(18)19)13-3-6-15(7-4-13)34-21(25)26/h3-11,21H,12H2,1-2H3",HFRRKTROCJVLKP-UHFFFAOYSA-N
OSM-S-394,EGT 212-1,,,FS(F)(F)(F)(F)C(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCC4=CC=CC=C4)N32,"InChI=1S/C19H15F5N4OS/c20-30(21,22,23,24)16-8-6-15(7-9-16)19-27-26-17-12-25-13-18(28(17)19)29-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2",PEMORNCGKKXBCP-UHFFFAOYSA-N
OSM-S-395,EGT 213-1,,,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCCC4(CC5C6)CC6C[C@@H](C5)C4)N32,"InChI=1S/C24H26F2N4O2/c25-23(26)32-19-3-1-18(2-4-19)22-29-28-20-13-27-14-21(30(20)22)31-6-5-24-10-15-7-16(11-24)9-17(8-15)12-24/h1-4,13-17,23H,5-12H2/t15-,16?,17?,24?",BSXLJNOXQMXUOB-CRFYJIHUSA-N
OSM-S-396,EGT 215-1,,,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC(C)CC4=CC=CC=C4)N32,"InChI=1S/C21H18F2N4O2/c1-14(11-15-5-3-2-4-6-15)28-19-13-24-12-18-25-26-20(27(18)19)16-7-9-17(10-8-16)29-21(22)23/h2-10,12-14,21H,11H2,1H3",HJOHTEUEFDSADX-UHFFFAOYSA-N
OSM-S-397,EGT 220-1,,,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC45C[C@@H](C[C@@H](C5)C6)C[C@@H]6C4)N32,"InChI=1S/C23H24F2N4O2/c24-22(25)31-18-3-1-17(2-4-18)21-28-27-19-11-26-12-20(29(19)21)30-13-23-8-14-5-15(9-23)7-16(6-14)10-23/h1-4,11-12,14-16,22H,5-10,13H2/t14-,15+,16-,23?",PIOOGPDPQVQAFQ-QUXYOMGYSA-N
OSM-S-398,EGT 222-1,,,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC4C[C@H]5C=C[C@@H]4C5)N32,"InChI=1S/C20H18F2N4O2/c21-20(22)28-16-5-3-13(4-6-16)19-25-24-17-9-23-10-18(26(17)19)27-11-15-8-12-1-2-14(15)7-12/h1-6,9-10,12,14-15,20H,7-8,11H2/t12-,14+,15?/m0/s1",OMOCZBKUEFTIAC-DJIKBVBFSA-N
OSM-S-399,EGT 224-1,,,CC1(C)[C@@H]2C[C@H]1C(CCOC3=CN=CC4=NN=C(C5=CC=C(OC(F)F)C=C5)N43)=CC2,"InChI=1S/C23H24F2N4O2/c1-23(2)16-6-3-14(18(23)11-16)9-10-30-20-13-26-12-19-27-28-21(29(19)20)15-4-7-17(8-5-15)31-22(24)25/h3-5,7-8,12-13,16,18,22H,6,9-11H2,1-2H3/t16-,18-/m0/s1",PQILDBPUDLGKJU-WMZOPIPTSA-N
OSM-S-400,EGT 225-1,,,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(C4=CC=CC=C4)=O)N32,"InChI=1S/C20H14F2N4O3/c21-20(22)29-15-8-6-14(7-9-15)19-25-24-17-10-23-11-18(26(17)19)28-12-16(27)13-4-2-1-3-5-13/h1-11,20H,12H2",MQSMCJANEPVRGE-UHFFFAOYSA-N
OSM-S-401,SSP 6a1,,,ClC(C=C1)=CC(Cl)=C1C2=NN=C3C=NC=C(OCC45C[C@@H](C[C@@H](C5)C6)C[C@@H]6C4)N32,"InChI=1S/C22H22Cl2N4O/c23-16-1-2-17(18(24)6-16)21-27-26-19-10-25-11-20(28(19)21)29-12-22-7-13-3-14(8-22)5-15(4-13)9-22/h1-2,6,10-11,13-15H,3-5,7-9,12H2/t13-,14+,15-,22?",XRHQAPBKYTXPOW-HBJUSLLUSA-N
OSM-S-402,SSP 6a2,,,ClC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC45C[C@@H](C[C@@H](C5)C6)C[C@@H]6C4)N32,"InChI=1S/C22H23ClN4O/c23-18-3-1-17(2-4-18)21-26-25-19-11-24-12-20(27(19)21)28-13-22-8-14-5-15(9-22)7-16(6-14)10-22/h1-4,11-12,14-16H,5-10,13H2/t14-,15+,16-,22?",MFXXXMMQULKXIX-GGTBJBEQSA-N
OSM-S-403,SSP 6c1,,,CC1(C)[C@@H]2C[C@H]1C(CCOC3=CN=CC4=NN=C(C5=C(Cl)C=C(Cl)C=C5)N43)=CC2,"InChI=1S/C22H22Cl2N4O/c1-22(2)14-4-3-13(17(22)9-14)7-8-29-20-12-25-11-19-26-27-21(28(19)20)16-6-5-15(23)10-18(16)24/h3,5-6,10-12,14,17H,4,7-9H2,1-2H3/t14-,17-/m0/s1",OYFPJLPMJIFAIS-YOEHRIQHSA-N
OSM-S-404,SSP 6c2,,,CC1(C)[C@@H]2C[C@H]1C(CCOC3=CN=CC4=NN=C(C5=CC=C(Cl)C=C5)N43)=CC2,"InChI=1S/C22H23ClN4O/c1-22(2)16-6-3-14(18(22)11-16)9-10-28-20-13-24-12-19-25-26-21(27(19)20)15-4-7-17(23)8-5-15/h3-5,7-8,12-13,16,18H,6,9-11H2,1-2H3/t16-,18-/m0/s1",BDWPPKIAXRRNII-WMZOPIPTSA-N
OSM-S-405,SSP 6d1,,,ClC(C=C1)=CC(Cl)=C1C2=NN=C3C=NC=C(OCC4C[C@H]5C=C[C@@H]4C5)N32,"InChI=1S/C19H16Cl2N4O/c20-14-3-4-15(16(21)7-14)19-24-23-17-8-22-9-18(25(17)19)26-10-13-6-11-1-2-12(13)5-11/h1-4,7-9,11-13H,5-6,10H2/t11-,12+,13?/m0/s1",OLAUIVKJLBCHFE-LAGVYOHYSA-N
OSM-S-406,SSP 6d2,,,ClC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC4C[C@H]5C=C[C@@H]4C5)N32,"InChI=1S/C19H17ClN4O/c20-16-5-3-13(4-6-16)19-23-22-17-9-21-10-18(24(17)19)25-11-15-8-12-1-2-14(15)7-12/h1-6,9-10,12,14-15H,7-8,11H2/t12-,14+,15?/m0/s1",OWTVMOKESSEJOP-DJIKBVBFSA-N
OSM-S-407,CG59-1,,,O=C(NC1=CC=NC=C1)C2=CN=CC3=NN=C(C4=CC=CC=C4)N32,"InChI=1S/C17H12N6O/c24-17(20-13-6-8-18-9-7-13)14-10-19-11-15-21-22-16(23(14)15)12-4-2-1-3-5-12/h1-11H,(H,18,20,24)",HSTAGCWQAIXJQM-UHFFFAOYSA-N
OSM-S-408,CG60-2,,,C12=NN=C(C3=CC=NC=C3)N1C(OCCC4=CC=CC=C4)=CN=C2,"InChI=1S/C18H15N5O/c1-2-4-14(5-3-1)8-11-24-17-13-20-12-16-21-22-18(23(16)17)15-6-9-19-10-7-15/h1-7,9-10,12-13H,8,11H2",BSTOZULDVQMNLS-UHFFFAOYSA-N
OSM-S-409,EGT 237-2,,,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC/C(C4=CC=CC=C4)=N/O)N32,"InChI=1S/C20H15F2N5O3/c21-20(22)30-15-8-6-14(7-9-15)19-25-24-17-10-23-11-18(27(17)19)29-12-16(26-28)13-4-2-1-3-5-13/h1-11,20,28H,12H2/b26-16-",VJSBQKQNONLQQJ-QQXSKIMKSA-N
OSM-S-410,,,MMV1557863,FC(F)OC(C=C1)=CC=C1C2=NN=C3C(NC=C(C(NC4=CC=C(Cl)C=C4)=O)N32)=O,"InChI=1S/C19H12ClF2N5O3/c20-11-3-5-12(6-4-11)24-17(28)14-9-23-18(29)16-26-25-15(27(14)16)10-1-7-13(8-2-10)30-19(21)22/h1-9,19H,(H,23,29)(H,24,28)",SOVUBMPMKMEPEE-UHFFFAOYSA-N
OSM-S-411,,,MMV1557864,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NC4=CC=[N+]([O-])C(C(F)(F)F)=C4)=O)N32,"InChI=1S/C19H11F5N6O3/c20-18(21)33-12-3-1-10(2-4-12)16-28-27-15-9-25-8-13(30(15)16)17(31)26-11-5-6-29(32)14(7-11)19(22,23)24/h1-9,18H,(H,26,31)",HAVDPBNWKHGTHN-UHFFFAOYSA-N
OSM-S-412,,,MMV1557865,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(CO)C4=CC=C(O)C=C4)N32,"InChI=1S/C21H18F2N4O4/c22-21(23)31-17-7-3-14(4-8-17)20-26-25-18-9-24-10-19(27(18)20)30-12-15(11-28)13-1-5-16(29)6-2-13/h1-10,15,21,28-29H,11-12H2",BCDILCAJSSYWKE-UHFFFAOYSA-N
OSM-S-413,,,,FC(C=C1)=C(F)C=C1[C@@H](OC)COC2=CN=CC3=NN=C(C4=CC=C(C#N)C=C4)N32,"InChI=1S/C21H15F2N5O2/c1-29-18(15-6-7-16(22)17(23)8-15)12-30-20-11-25-10-19-26-27-21(28(19)20)14-4-2-13(9-24)3-5-14/h2-8,10-11,18H,12H2,1H3",PERKBMZWWUEZNJ-UHFFFAOYSA-N
OSM-S-414,,,,FC(C=C1)=C(F)C=C1[C@H](OC)COC2=CN=CC3=NN=C(C4=CC=C(C#N)C=C4)N32,"InChI=1S/C21H15F2N5O2/c1-29-18(15-6-7-16(22)17(23)8-15)12-30-20-11-25-10-19-26-27-21(28(19)20)14-4-2-13(9-24)3-5-14/h2-8,10-11,18H,12H2,1H3",PERKBMZWWUEZNJ-UHFFFAOYSA-N
OSM-S-39,ZYH7,57515644,MMV689020,CC1=C(/C=C2S/C(NC\2=O)=N\C3=CC=CC=C3)C=C(C)N1C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4,"InChI=1S/C24H17F6N3OS/c1-13-8-15(9-20-21(34)32-22(35-20)31-18-6-4-3-5-7-18)14(2)33(13)19-11-16(23(25,26)27)10-17(12-19)24(28,29)30/h3-12H,1-2H3,(H,31,32,34)/b20-9",GVGNOLWIUGQIHW-UKWGHVSLSA-N
OSM-S-4,PMY3; PMY8; JRC2; AEW10; MNR57,5008278,,,"InChI=1S/C13H12FNO2/c1-8-7-12(13(16)17)9(2)15(8)11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H,16,17)",UHSNGSYVRLIXCX-UHFFFAOYSA-N
OSM-S-40,ZYH8,702059,,CC1=CC=C(C)N1C2=CC=C(C(OCC)=O)C=C2,"InChI=1S/C15H17NO2/c1-4-18-15(17)13-7-9-14(10-8-13)16-11(2)5-6-12(16)3/h5-10H,4H2,1-3H3",FIQJDBIRRVQTJN-UHFFFAOYSA-N
OSM-S-41,ZYH9; AEW40,5324088,,CC1=CC=C(C)N1C2=CC=CC=N2,"InChI=1S/C11H12N2/c1-9-6-7-10(2)13(9)11-5-3-4-8-12-11/h3-8H,1-2H3",IIIQRAJKCBNLIZ-UHFFFAOYSA-N
OSM-S-42,ZYH10-2A,,,CC(N1C2=CC=C(C(F)(F)F)C=C2)=C(/C=C(C(N/3CC#N)=O)\SC3=N/C4=CC=CC=C4)C=C1C,"InChI=1S/C25H19F3N4OS/c1-16-14-18(17(2)32(16)21-10-8-19(9-11-21)25(26,27)28)15-22-23(33)31(13-12-29)24(34-22)30-20-6-4-3-5-7-20/h3-11,14-15H,13H2,1-2H3/b22-15-,30-24+",CYTCJKBOZWMCAR-DDABIZCTSA-N
OSM-S-43,ZYH10-2B,57515645,,CC(N1C2=CC=C(C(F)(F)F)C=C2)=C(/C=C3SC(N(CC#N)C4=CC=CC=C4)=NC\3=O)C=C1C,"InChI=1S/C25H19F3N4OS/c1-16-14-18(17(2)32(16)21-10-8-19(9-11-21)25(26,27)28)15-22-23(33)30-24(34-22)31(13-12-29)20-6-4-3-5-7-20/h3-11,14-15H,13H2,1-2H3/b22-15-",ZNJGLEUSFVBSML-JCMHNJIXSA-N
OSM-S-44,ZYH11,977062,,CC1=C(C=O)C=C(C)N1C2=CC=CC=N2,"InChI=1S/C12H12N2O/c1-9-7-11(8-15)10(2)14(9)12-5-3-4-6-13-12/h3-8H,1-2H3",PQMMSSQLSQUPNY-UHFFFAOYSA-N
OSM-S-45,ZYH12,57515647,,O=C(N=C(S/1)N(C(C)=O)C2=CC=CC=C2)C1=C\C3=C(C)N(C4=CC=C(C=C4)C(F)(F)F)C(C)=C3,"InChI=1S/C25H20F3N3O2S/c1-15-13-18(16(2)30(15)21-11-9-19(10-12-21)25(26,27)28)14-22-23(33)29-24(34-22)31(17(3)32)20-7-5-4-6-8-20/h4-14H,1-3H3/b22-14-",KOJDOQBSBJSPKC-HMAPJEAMSA-N
OSM-S-46,ZYH13,601797,,CC1=C(C=O)C=C(C)N1C2=CC=C(C(OCC)=O)C=C2,CC1=C(C=O)C=C(C)N1C2=CC=C(C(OCC)=O)C=C2,INHIPLWUOJQIIQ-UHFFFAOYSA-N
OSM-S-47,ZYH14; SBBH1-7,,,O=C1CS/C(N1C2=CC=CC=C2)=N\C3=CC=CC=C3,"InChI=1S/C15H12N2OS/c18-14-11-19-15(16-12-7-3-1-4-8-12)17(14)13-9-5-2-6-10-13/h1-10H,11H2/b16-15-",RAVFWIXHMXTJQU-NXVVXOECSA-N
OSM-S-48,ZYH15,1914356,,CCOC(C1=CC=C(N2C(C)=CC(/C=C(C(N/3)=O)\SC3=N/C4=CC=CC=C4)=C2C)C=C1)=O,"InChI=1S/C25H23N3O3S/c1-4-31-24(30)18-10-12-21(13-11-18)28-16(2)14-19(17(28)3)15-22-23(29)27-25(32-22)26-20-8-6-5-7-9-20/h5-15H,4H2,1-3H3,(H,26,27,29)/b22-15-",RDXBLRRUYBTFEI-JCMHNJIXSA-N
OSM-S-49,ZYH16,57515648,,O=C(N=C(S/1)N(C2=CC=CC=C2)C(C)=O)C1=C\C3=C(C)N(C4=CC=CC=C4)C(C)=C3,"InChI=1S/C24H21N3O2S/c1-16-14-19(17(2)26(16)20-10-6-4-7-11-20)15-22-23(29)25-24(30-22)27(18(3)28)21-12-8-5-9-13-21/h4-15H,1-3H3/b22-15-",HYCHBJJSXVXDSY-JCMHNJIXSA-N
OSM-S-5,TCMDC123812; CHEMBL549220; PMY10; JRC3; AEW5,2434563,MMV019247,FC1=CC=C(N2C(C)=CC(C(OCC(N)=O)=O)=C2C)C=C1,"InChI=1S/C15H15FN2O3/c1-9-7-13(15(20)21-8-14(17)19)10(2)18(9)12-5-3-11(16)4-6-12/h3-7H,8H2,1-2H3,(H2,17,19)",YSUCFIZUNLQZDX-UHFFFAOYSA-N
OSM-S-50,ZYH17; AEW79,57515649,,O=C(N=C(S/1)N(C2=CC=CC=C2)C(C)=O)C1=C\C3=C(C)N(C4=CC=C(C)C=C4)C(C)=C3,"InChI=1S/C25H23N3O2S/c1-16-10-12-22(13-11-16)27-17(2)14-20(18(27)3)15-23-24(30)26-25(31-23)28(19(4)29)21-8-6-5-7-9-21/h5-15H,1-4H3/b23-15-",RZFIAJJLMRMIBB-HAHDFKILSA-N
OSM-S-51,ZYH18,57515650,MMV689021,CC1=C(/C=C2S/C(NC\2=O)=N\C3=CC=CC=C3)C=C(C)N1C4=NC=CC=C4,"InChI=1S/C21H18N4OS/c1-14-12-16(15(2)25(14)19-10-6-7-11-22-19)13-18-20(26)24-21(27-18)23-17-8-4-3-5-9-17/h3-13H,1-2H3,(H,23,24,26)/b18-13- ",WFGBKPBKZGJAHY-AQTBWJFISA-N
OSM-S-52,ZYH19,,,CC(N1C2=CC=C(C(F)(F)F)C=C2)=CC(/C=C(C(N/3C4=CC=CC=C4)=O)\SC3=N/C5=CC=CC=C5)=C1C,"InChI=1S/C29H22F3N3OS/c1-19-17-21(20(2)34(19)25-15-13-22(14-16-25)29(30,31)32)18-26-27(36)35(24-11-7-4-8-12-24)28(37-26)33-23-9-5-3-6-10-23/h3-18H,1-2H3/b26-18-,33-28+",SACGGTIRNSKYBF-USPGIJFQSA-N
OSM-S-53,ZYH20,853886,,S=C(NC(C)=O)NC1=CC=CC=C1,"InChI=1S/C9H10N2OS/c1-7(12)10-9(13)11-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12,13)",DBOBDMZHSHKLSJ-UHFFFAOYSA-N
OSM-S-54,ZYH22,,,CC(N1C2=CC=C(C(F)(F)F)C=C2)=C(/C=C(C(N/3C4CCCC4)=O)\SC3=N/C5=CC=CC=C5)C=C1C,"InChI=1S/C28H26F3N3OS/c1-18-16-20(19(2)33(18)24-14-12-21(13-15-24)28(29,30)31)17-25-26(35)34(23-10-6-7-11-23)27(36-25)32-22-8-4-3-5-9-22/h3-5,8-9,12-17,23H,6-7,10-11H2,1-2H3/b25-17-,32-27-",BDDWBUPMEFMPPN-BUWRXKIYSA-N
OSM-S-55,ZYH23,1274334,,O=C(N/C1=N/C2=CC=CC=C2)/C(S1)=C/C3=CC=CC=C3,"InChI=1S/C16H12N2OS/c19-15-14(11-12-7-3-1-4-8-12)20-16(18-15)17-13-9-5-2-6-10-13/h1-11H,(H,17,18,19)/b14-11-",AXMGOWZVQOLCDR-KAMYIIQDSA-N
OSM-S-56,JRC12,,,O=S(N(C)C1=CC=C(Cl)C=C1)(C2=NN(C(N(C)C)=O)C=N2)=O,"InChI=1S/C12H14ClN5O3S/c1-16(2)12(19)18-8-14-11(15-18)22(20,21)17(3)10-6-4-9(13)5-7-10/h4-8H,1-3H3",UHTDBMSUJGJAMB-UHFFFAOYSA-N
OSM-S-57,PMY50; SBHK523,34276657,,O=C(OCC(N)=O)C1=C(C)N(N=C1)C2=CC=CC=C2,"InChI=1S/C13H13N3O3/c1-9-11(13(18)19-8-12(14)17)7-15-16(9)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,17)",FIEILXFXISZANS-UHFFFAOYSA-N
OSM-S-58,PMY38,60208758,,FC(C=C1)=CC=C1N2C(C)=C(CNCC(N)=O)C=C2C,"InChI=1S/C15H18FN3O/c1-10-7-12(8-18-9-15(17)20)11(2)19(10)14-5-3-13(16)4-6-14/h3-7,18H,8-9H2,1-2H3,(H2,17,20)",WMIDAZMYWJQDQN-UHFFFAOYSA-N
OSM-S-59,PMY55; AEW60,60208759,,FC(C=C1)=CC=C1N2C(C)=C(C(N(C)CC(N)=O)=O)C=C2C,"InChI=1S/C16H18FN3O2/c1-10-8-14(16(22)19(3)9-15(18)21)11(2)20(10)13-6-4-12(17)5-7-13/h4-8H,9H2,1-3H3,(H2,18,21)",HJRHAMSFPNSXOR-UHFFFAOYSA-N
OSM-S-6,TCMDC123794; CHEMBL533269; PMY11,2369167,,CC(N1C2=CC=C(F)C=C2)=CC(C(OCC(NC(C3=O)=C(N(N3C4=CC=CC=C4)C)C)=O)=O)=C1C,"InChI=1S/C26H25FN4O4/c1-16-14-22(17(2)30(16)20-12-10-19(27)11-13-20)26(34)35-15-23(32)28-24-18(3)29(4)31(25(24)33)21-8-6-5-7-9-21/h5-14H,15H2,1-4H3,(H,28,32)",OFHDGHFNTKVFPI-UHFFFAOYSA-N
OSM-S-60,PMY56; AEW83,60208757,,FC(C=C1)=CC=C1N2C(C)=C(CN(C)CC(N)=O)C=C2C,"InChI=1S/C16H20FN3O/c1-11-8-13(9-19(3)10-16(18)21)12(2)20(11)15-6-4-14(17)5-7-15/h4-8H,9-10H2,1-3H3,(H2,18,21)",GTOBCWQFLJRCDF-UHFFFAOYSA-N
OSM-S-61,PMY57; PMY67,71456265,,FC(C=C1)=CC=C1N2C(C)=C(C(NC(CO)C(OC)=O)=O)C=C2C,"InChI=1S/C17H19FN2O4/c1-10-8-14(16(22)19-15(9-21)17(23)24-3)11(2)20(10)13-6-4-12(18)5-7-13/h4-8,15,21H,9H2,1-3H3,(H,19,22)/t15-/m0/s1",VIRSIBPHMPQEFV-HNNXBMFYSA-N
OSM-S-62,PMY46; PMY58,71458072,,FC(C=C1)=CC=C1N2C(C)=C(C3=NC(C(OC)=O)=CO3)C=C2C,"InChI=1S/C17H15FN2O3/c1-10-8-14(16-19-15(9-23-16)17(21)22-3)11(2)20(10)13-6-4-12(18)5-7-13/h4-9H,1-3H3",PMPFPBFKDATMLY-UHFFFAOYSA-N
OSM-S-63,PMY58,71449145,,FC(C=C1)=CC=C1N2C(C)=C(C(OC3)=NC3C(OC)=O)C=C2C,"InChI=1S/C17H17FN2O3/c1-10-8-14(16-19-15(9-23-16)17(21)22-3)11(2)20(10)13-6-4-12(18)5-7-13/h4-8,15H,9H2,1-3H3/t15-/m0/s1",RIWRQJDQRQUGKI-HNNXBMFYSA-N
OSM-S-64,,,,n1cnc3ccsc3c1N2CCOCC2,"InChI=1S/C10H11N3OS/c1-6-15-9-8(1)11-7-12-10(9)13-2-4-14-5-3-13/h1,6-7H,2-5H2",ZEWWLZDNTOZATC-UHFFFAOYSA-N
OSM-S-65,,,,Oc1ncnc2cc(I)sc12,"InChI=1S/C6H3IN2OS/c7-4-1-3-5(11-4)6(10)9-2-8-3/h1-2H,(H,8,9,10)",YNWYDHQWPQXICN-UHFFFAOYSA-N
OSM-S-66,,,,C1(CSC2=NNC=N2)=CC=CC=C1,"InChI=1S/C9H9N3S/c1-2-4-8(5-3-1)6-13-9-10-7-11-12-9/h1-5,7H,6H2,(H,10,11,12)",IQQYSQRJFHUASD-UHFFFAOYSA-N
OSM-S-67,,,,O=C(N(C)C)N(C=N1)N=C1SCC2=CC=CC=C2,"InChI=1S/C12H14N4OS/c1-15(2)12(17)16-9-13-11(14-16)18-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",CSNLCDUKFLSTLH-UHFFFAOYSA-N
OSM-S-68,AEW6; MD5,57519179,,FC(C=C1)=CC=C1N2C(C)=C(C(OC(C)(C)C(N)=O)=O)C=C2C,"InChI=1S/C17H19FN2O3/c1-10-9-14(15(21)23-17(3,4)16(19)22)11(2)20(10)13-7-5-12(18)6-8-13/h5-9H,1-4H3,(H2,19,22)",LODBHTKIGFXDSJ-UHFFFAOYSA-N
OSM-S-69,,,,O=CNc1ccsc1C(=O)OC,"InChI=1S/C7H7NO3S/c1-11-7(10)6-5(8-4-9)2-3-12-6/h2-4H,1H3,(H,8,9)",LBYBTIGBOUMNTH-UHFFFAOYSA-N
OSM-S-7,PMY12-1-A,57515634,,FC1=CC=C(N2C(C)=CC(C(N(C(NC3CCCCC3)=O)C4CCCCC4)=O)=C2C)C=C1,"InChI=1S/C26H34FN3O2/c1-18-17-24(19(2)29(18)23-15-13-20(27)14-16-23)25(31)30(22-11-7-4-8-12-22)26(32)28-21-9-5-3-6-10-21/h13-17,21-22H,3-12H2,1-2H3,(H,28,32)",RLPVOMUFRGFVJT-UHFFFAOYSA-N
OSM-S-70,,,,ClC1=C2C(C=CS2)=NC=N1,InChI=1S/C6H3ClN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H,TWTODSLDHCDLDR-UHFFFAOYSA-N
OSM-S-71,,,,NC1=C2C(C=CS2)=NC=N1,"InChI=1S/C6H5N3S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H,(H2,7,8,9)",QIZMFTNGJPBSBT-UHFFFAOYSA-N
OSM-S-72,,,,O=S(NC1=C2C(SC(C3=CC=CC=C3)=C2)=NC=N1)(C4=CC=CC=C4)=O,"InChI=1S/C18H13N3O2S2/c22-25(23,14-9-5-2-6-10-14)21-17-15-11-16(13-7-3-1-4-8-13)24-18(15)20-12-19-17/h1-12H,(H,19,20,21)",RVVYQPLURRLHLR-UHFFFAOYSA-N
OSM-S-73,,,,CC(C(S([H])(=O)=O)=C1)=CC=C1NC2=C3C(C=CS3)=NC=N2,"InChI=1S/C13H11N3O2S2/c1-8-2-3-9(6-11(8)20(17)18)16-13-12-10(4-5-19-12)14-7-15-13/h2-7,20H,1H3,(H,14,15,16)",ANUSJERLXROAHO-UHFFFAOYSA-N
OSM-S-74,,,,COC(C=C1)=CC=C1C2=CC3=NC=NC(NCC4=CC=C(S(NC)(=O)=O)S4)=C3S2,"InChI=1S/C19H18N4O3S3/c1-20-29(24,25)17-8-7-14(27-17)10-21-19-18-15(22-11-23-19)9-16(28-18)12-3-5-13(26-2)6-4-12/h3-9,11,20H,10H2,1-2H3,(H,21,22,23)",YJIZHXKJHLSNJU-UHFFFAOYSA-N
OSM-S-75,,,,O=S(N(CC1)CCC1NC2=C3C(C=CS3)=NC=N2)(C4=CC=C(OC)C=C4)=O,"InChI=1S/C18H20N4O3S2/c1-25-14-2-4-15(5-3-14)27(23,24)22-9-6-13(7-10-22)21-18-17-16(8-11-26-17)19-12-20-18/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,19,20,21)",AIOKEIOAHBEYFV-UHFFFAOYSA-N
OSM-S-76,,,,C[C@@H](C1=CC=CC(S(N)(=O)=O)=C1)NC2=C3C(C=CS3)=NC=N2,"InChI=1S/C14H14N4O2S2/c1-9(10-3-2-4-11(7-10)22(15,19)20)18-14-13-12(5-6-21-13)16-8-17-14/h2-9H,1H3,(H2,15,19,20)(H,16,17,18)/t9-/m0/s1",BTENSVAFLZSYCS-VIFPVBQESA-N
OSM-S-77,,,,O=S(C1=C(OCC)C=CC(NC2=C3C(C=CS3)=NC=N2)=C1)(N(C)C)=O,"InChI=1S/C16H18N4O3S2/c1-4-23-13-6-5-11(9-14(13)25(21,22)20(2)3)19-16-15-12(7-8-24-15)17-10-18-16/h5-10H,4H2,1-3H3,(H,17,18,19)",AFXZPMPMWGUDRD-UHFFFAOYSA-N
OSM-S-78,,,,NS(C(C=C1)=CC=C1CNC2=C3C(C=CC=C3)=NC(C4=CSC=C4)=N2)(=O)=O,"InChI=1S/C19H16N4O2S2/c20-27(24,25)15-7-5-13(6-8-15)11-21-19-16-3-1-2-4-17(16)22-18(23-19)14-9-10-26-12-14/h1-10,12H,11H2,(H2,20,24,25)(H,21,22,23)",XAYZAAZFNXFGQQ-UHFFFAOYSA-N
OSM-S-79,,,,NS(C1=CC=CC(CNC2=C3C(C=CS3)=NC=N2)=C1)(=O)=O,"InChI=1S/C13H12N4O2S2/c14-21(18,19)10-3-1-2-9(6-10)7-15-13-12-11(4-5-20-12)16-8-17-13/h1-6,8H,7H2,(H2,14,18,19)(H,15,16,17)",MONLYHVADJHNFV-UHFFFAOYSA-N
OSM-S-8,PMY12-5; AEW62,24407955,,FC1=CC=C(N2C(C)=CC(C(NC3=C(C)N(C)N(C4=CC=CC=C4)C3=O)=O)=C2C)C=C1,"InChI=1S/C24H23FN4O2/c1-15-14-21(16(2)28(15)19-12-10-18(25)11-13-19)23(30)26-22-17(3)27(4)29(24(22)31)20-8-6-5-7-9-20/h5-14H,1-4H3,(H,26,30)",NVKLEDPUHCCJRE-UHFFFAOYSA-N
OSM-S-80,,,,COC(C=C1)=CC=C1C2=CC3=NC=NC(OC4=CC=C(S(N5CCOCC5)(=O)=O)C=C4)=C3S2,"InChI=1S/C23H21N3O5S2/c1-29-17-4-2-16(3-5-17)21-14-20-22(32-21)23(25-15-24-20)31-18-6-8-19(9-7-18)33(27,28)26-10-12-30-13-11-26/h2-9,14-15H,10-13H2,1H3",YDWOOXMJPIUVKR-UHFFFAOYSA-N
OSM-S-81,,31785230,,CC1=CC(=C(C)[N]1C2=CC=CC=C2)C(=NCC(N(C)C)=O)O,"InChI=1S/C17H21N3O2/c1-12-10-15(17(22)18-11-16(21)19(3)4)13(2)20(12)14-8-6-5-7-9-14/h5-10H,11H2,1-4H3,(H,18,22)",DDLCZYHXOGBCGL-UHFFFAOYSA-N
OSM-S-82,AEW18,2466757,,CC1=CC(=C(C)[N]1C2=CC=C(C=C2)F)C(=O)OCC(=NC)O,"InChI=1S/C16H17FN2O3/c1-10-8-14(16(21)22-9-15(20)18-3)11(2)19(10)13-6-4-12(17)5-7-13/h4-8H,9H2,1-3H3,(H,18,20)",FXSYKCLPBZPYNU-UHFFFAOYSA-N
OSM-S-83,,40231419,,CC1=CC(=C(C)[N]1C2=CC=CC=C2)C(N3CCN=C(C3)O)=O,"InChI=1S/C17H19N3O2/c1-12-10-15(17(22)19-9-8-18-16(21)11-19)13(2)20(12)14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,18,21)",MQCAVDAWVKBHML-UHFFFAOYSA-N
OSM-S-84,,53514054,,CC1=CC(=C(C)[N]1C2=CC=C(C=C2)Br)C(N(C)CC(=NC)O)=O,"InChI=1S/C17H20BrN3O2/c1-11-9-15(17(23)20(4)10-16(22)19-3)12(2)21(11)14-7-5-13(18)6-8-14/h5-9H,10H2,1-4H3,(H,19,22)",QCKWSPHQOGLUNM-UHFFFAOYSA-N
OSM-S-85,,2402326,,CC1=CC(=C(C)[N]1C2=CC=CC=C2)C3=NN=C(O3)SCC(=NC4=CC(=CC=C4)OC)O,"InChI=1S/C23H22N4O3S/c1-15-12-20(16(2)27(15)18-9-5-4-6-10-18)22-25-26-23(30-22)31-14-21(28)24-17-8-7-11-19(13-17)29-3/h4-13H,14H2,1-3H3,(H,24,28)",YMUQXVXRPYOASK-UHFFFAOYSA-N
OSM-S-86,,36170225,,CCN(CC(=NC1=C(C=CC=C1F)F)O)C(C2=C(C)[N](C(=C2)C)C3=CC=C(C=C3)F)=O,"InChI=1S/C23H22F3N3O2/c1-4-28(13-21(30)27-22-19(25)6-5-7-20(22)26)23(31)18-12-14(2)29(15(18)3)17-10-8-16(24)9-11-17/h5-12H,4,13H2,1-3H3,(H,27,30)",BLFMPEAPTFWYHH-UHFFFAOYSA-N
OSM-S-87,,47014811,,CC1=CC(=CC=C1)[N]2C(=CC(=C2C)C(N(C)CC(N=C3C=C(C)ON3)=O)=O)C,"InChI=1S/C21H24N4O3/c1-13-7-6-8-17(9-13)25-14(2)10-18(16(25)4)21(27)24(5)12-20(26)22-19-11-15(3)28-23-19/h6-11H,12H2,1-5H3,(H,22,23,26)",QMAXUZVAVZMAMU-UHFFFAOYSA-N
OSM-S-88,,38056956,,CC1=CC(=C(C)[N]1C2=CC=C(C=C2)Cl)CNC3CCN(CC3)CC(=NC)O,"InChI=1S/C21H29ClN4O/c1-15-12-17(16(2)26(15)20-6-4-18(22)5-7-20)13-24-19-8-10-25(11-9-19)14-21(27)23-3/h4-7,12,19,24H,8-11,13-14H2,1-3H3,(H,23,27)",HQRQGAAJRGIERF-UHFFFAOYSA-N
OSM-S-89,,56716039,,CCN=C([C@@H]1C[C@H](CN1CC2=C(C)[N](C(=C2)C)C3=CC=CC=C3Cl)N)O,"InChI=1S/C20H27ClN4O/c1-4-23-20(26)19-10-16(22)12-24(19)11-15-9-13(2)25(14(15)3)18-8-6-5-7-17(18)21/h5-9,16,19H,4,10-12,22H2,1-3H3,(H,23,26)/t16-,19+/m1/s1",ZUKQHVDBUYFYRN-APWZRJJASA-N
OSM-S-9,PMY14; PMY35,57515635,,FC1=CC=C(C=C1)N2C(C)=CC(/C=C(SC(N(C3=CC=CC=C3)C(C)=O)=N4)/C4=O)=C2C,"InChI=1S/C24H20FN3O2S/c1-15-13-18(16(2)27(15)21-11-9-19(25)10-12-21)14-22-23(30)26-24(31-22)28(17(3)29)20-7-5-4-6-8-20/h4-14H,1-3H3/b22-14-",WFLINPFRLHPFGO-HMAPJEAMSA-N
OSM-S-90,,20888173,,CCC1=CC=C(C=C1)[N]2C(=CC(=C2C)CN3CCC(CC3)C(=O)O)C,"InChI=1S/C21H28N2O2/c1-4-17-5-7-20(8-6-17)23-15(2)13-19(16(23)3)14-22-11-9-18(10-12-22)21(24)25/h5-8,13,18H,4,9-12,14H2,1-3H3,(H,24,25)",UCFMYMVVPFGNQX-UHFFFAOYSA-N
OSM-S-91,,2458246,,CC1=CC(=C(C)[N]1C2=CC=C(C=C2)F)C(=O)OCC(N(C)C)=O,"InChI=1S/C17H19FN2O3/c1-11-9-15(17(22)23-10-16(21)19(3)4)12(2)20(11)14-7-5-13(18)6-8-14/h5-9H,10H2,1-4H3",UBASAKWAWFZWGG-UHFFFAOYSA-N
OSM-S-92,PMY66,57519188,,FC(C=C1)=CC=C1N2C=C(C(OCC(N)=O)=O)C=N2,"InChI=1S/C12H10FN3O3/c13-9-1-3-10(4-2-9)16-6-8(5-15-16)12(18)19-7-11(14)17/h1-6H,7H2,(H2,14,17)",DNDQGXCXOJEWIK-UHFFFAOYSA-N
OSM-S-93,AEW16,47101511,,FC(C=C1)=CC=C1N2C(C)=C(C(N(C)C)=O)C=C2C,"InChI=1S/C15H17FN2O/c1-10-9-14(15(19)17(3)4)11(2)18(10)13-7-5-12(16)6-8-13/h5-9H,1-4H3",ODHQTLKXAQYLEM-UHFFFAOYSA-N
OSM-S-94,AEW12,71456266,,FC(C=C1)=CC=C1N2C(C)=C(CN3CCCC3)C=C2C,"InChI=1S/C17H21FN2/c1-13-11-15(12-19-9-3-4-10-19)14(2)20(13)17-7-5-16(18)6-8-17/h5-8,11H,3-4,9-10,12H2,1-2H3",LPRVJXBPLZQOJQ-UHFFFAOYSA-N
OSM-S-95,AEW9,71461677,,FC(C=C1)=CC=C1N2C(C)=CC(CNC3CCN(CC4=CC=CC=C4)CC3)=C2C,"InChI=1S/C25H30FN3/c1-19-16-22(20(2)29(19)25-10-8-23(26)9-11-25)17-27-24-12-14-28(15-13-24)18-21-6-4-3-5-7-21/h3-11,16,24,27H,12-15,17-18H2,1-2H3",OBFANJWJASKEMA-UHFFFAOYSA-N
OSM-S-96,MJT6,71458075,,FC1=CC=C(N2N=CC(C3=NC(C(OC)=O)=CO3)=C2C)C=C1,"InChI=1S/C15H12FN3O3/c1-9-12(14-18-13(8-22-14)15(20)21-2)7-17-19(9)11-5-3-10(16)4-6-11/h3-8H,1-2H3",MXBGFPWDTSYZMH-UHFFFAOYSA-N
OSM-S-97,MNR51,71459965,,FC1=CC=C(N2C(C)=CC(C(CCC(O)=O)=O)=C2C)C=C1,"InChI=1S/C16H16FNO3/c1-10-9-14(15(19)7-8-16(20)21)11(2)18(10)13-5-3-12(17)4-6-13/h3-6,9H,7-8H2,1-2H3,(H,20,21)",GNRWSIUEZUQINP-UHFFFAOYSA-N
OSM-S-98,MNR52,71461678,,FC1=CC=C(N2C(C)=CC(C(CCC(N(C)C)=O)=O)=C2C)C=C1,"InChI=1S/C18H21FN2O2/c1-12-11-16(17(22)9-10-18(23)20(3)4)13(2)21(12)15-7-5-14(19)6-8-15/h5-8,11H,9-10H2,1-4H3",JSMYECUHSRLQOF-UHFFFAOYSA-N
OSM-S-99,AEW71; MD17,71454531,,FC1=CC=C(N2C(C)=CC(C(OC(C)C(OCC)=O)=O)=C2C)C=C1,"InChI=1S/C18H20FNO4/c1-5-23-17(21)13(4)24-18(22)16-10-11(2)20(12(16)3)15-8-6-14(19)7-9-15/h6-10,13H,5H2,1-4H3",HHNXZDCXTDKCEN-UHFFFAOYSA-N
OSM-W-1,CCS-3-2,,,ClC(C=C1)=CC=C1C2=NN=C3C=NC=C(N=[N+]=[N-])N32,InChI=1S/C11H6ClN7/c12-8-3-1-7(2-4-8)11-17-15-9-5-14-6-10(16-18-13)19(9)11/h1-6H,PXBKPHRFNKPFAH-UHFFFAOYSA-N
OSM-W-2,CCS-4-1,,,NC1=CN=CC2=NN=C(C3=CC=C(Cl)C=C3)N21,"InChI=1S/C11H8ClN5/c12-8-3-1-7(2-4-8)11-16-15-10-6-14-5-9(13)17(10)11/h1-6H,13H2",XCGFGSSHPVTERR-UHFFFAOYSA-N
OSM-W-3,KL-8-1,,,FC(C=C1)=CC=C1CCOC2=CN=CC3=NN=C(C4=CC=C(S(C)(=O)=O)C=C4)N32,"InChI=1S/C20H17FN4O3S/c1-29(26,27)17-8-4-15(5-9-17)20-24-23-18-12-22-13-19(25(18)20)28-11-10-14-2-6-16(21)7-3-14/h2-9,12-13H,10-11H2,1H3",HQWGUOKCAHGSFB-UHFFFAOYSA-N
OSM-W-4,PD-5-3,,,[H]N(C1=NN=C(C2=CC=CC=C2)S1)C3=NC(OCCC4=CC=C(F)C=C4)=CN=C3,"InChI=1S/C20H16FN5OS/c21-16-8-6-14(7-9-16)10-11-27-18-13-22-12-17(23-18)24-20-26-25-19(28-20)15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H,23,24,26)",ATSWIRSPSBQXBQ-UHFFFAOYSA-N
,JS 10-1,,,ClC1=CC=CC(N/N=C/C2=CC=C(C#N)C=C2)=N1,"InChI=1S/C13H9ClN4/c14-12-2-1-3-13(17-12)18-16-9-11-6-4-10(8-15)5-7-11/h1-7,9H,(H,17,18)/b16-9+",WOEMAXIGZYIWII-CXUHLZMHSA-N
,JS 11-1,,,ClC1=CC=CC2=NN=C(C3=CC=C(C#N)C=C3)N21,InChI=1S/C13H7ClN4/c14-11-2-1-3-12-16-17-13(18(11)12)10-6-4-9(8-15)5-7-10/h1-7H,ROKQDRVNUIOPKS-UHFFFAOYSA-N
,JS 12-1,,,ClC1=CC=CC(C(NC2=CC(C(F)(F)F)=NC=C2)=O)=N1,"InChI=1S/C12H7ClF3N3O/c13-10-3-1-2-8(19-10)11(20)18-7-4-5-17-9(6-7)12(14,15)16/h1-6H,(H,17,18,20)",VNCOWSRRKZJWES-UHFFFAOYSA-N
,JS 15-1,,,O=C(NC1=CC=NC(C(F)(F)F)=C1)C2=CC=CC(N/N=C/C3=CC=C(C#N)C=C3)=N2,"InChI=1S/C20H13F3N6O/c21-20(22,23)17-10-15(8-9-25-17)27-19(30)16-2-1-3-18(28-16)29-26-12-14-6-4-13(11-24)5-7-14/h1-10,12H,(H,28,29)(H,25,27,30)/b26-12+",HITQOKWUFWDBPF-RPPGKUMJSA-N
,JS 16-1,,,O=C(NC1=CC=NC(C(F)(F)F)=C1)C2=CC=CC3=NN=C(C4=CC=C(C#N)C=C4)N32,"InChI=1S/C20H11F3N6O/c21-20(22,23)16-10-14(8-9-25-16)26-19(30)15-2-1-3-17-27-28-18(29(15)17)13-6-4-12(11-24)5-7-13/h1-10H,(H,25,26,30)",PGPJMFWOQCDCCV-UHFFFAOYSA-N
,JS 19-1,,,ClC(C=CC=C1)=C1CCOC2=CC=CC3=NN=C(C4=CC=C(C#N)C=C4)N32,"InChI=1S/C21H15ClN4O/c22-18-5-2-1-4-16(18)12-13-27-20-7-3-6-19-24-25-21(26(19)20)17-10-8-15(14-23)9-11-17/h1-11H,12-13H2",APTFJFHOJWNXBX-UHFFFAOYSA-N
,JS 20-1,,,N#CC(C=C1)=CC=C1C2=NN=C3C=CC=C(OCCC4=CC=CC=C4)N32,"InChI=1S/C21H16N4O/c22-15-17-9-11-18(12-10-17)21-24-23-19-7-4-8-20(25(19)21)26-14-13-16-5-2-1-3-6-16/h1-12H,13-14H2",PLXIJFIDAXQTSX-UHFFFAOYSA-N
,JS 21-1,,,FC(C(F)=C1)=CC=C1CCOC2=CC=CC3=NN=C(C4=CC=C(C#N)C=C4)N32,"InChI=1S/C21H14F2N4O/c22-17-9-6-14(12-18(17)23)10-11-28-20-3-1-2-19-25-26-21(27(19)20)16-7-4-15(13-24)5-8-16/h1-9,12H,10-11H2",JCMCKOQZSFBPIN-UHFFFAOYSA-N
,INHERITED,,MMV670763,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC[C@H](NC)C4=CC(F)=C(F)C=C4)N32,"InChI=1S/C21H17F4N5O2/c1-26-17(13-4-7-15(22)16(23)8-13)11-31-19-10-27-9-18-28-29-20(30(18)19)12-2-5-14(6-3-12)32-21(24)25/h2-10,17,21,26H,11H2,1H3/t17-/m0/s1",YFUIAROYVNJDHR-KRWDZBQOSA-N
,INHERITED,,MMV671933,FC(F)OC1=CC=C(C=C1)C2=NN=C3N2C(O[C@H]4CN(C5CC5)[C@H]4C6=CC=C(F)C(F)=C6)=CN=C3,"InChI=1S/C24H19F4N5O2/c25-17-8-3-14(9-18(17)26)22-19(12-32(22)15-4-5-15)35-21-11-29-10-20-30-31-23(33(20)21)13-1-6-16(7-2-13)34-24(27)28/h1-3,6-11,15,19,22,24H,4-5,12H2/t19-,22-/m0/s1",WHJQMHNZFFDXED-UGKGYDQZSA-N
,INHERITED,,MMV671934,FC(F)OC1=CC=C(C=C1)C2=NN=C3N2C(O[C@H]4C(N(C5CC5)[C@H]4C6=CC=C(F)C(F)=C6)=O)=CN=C3,"InChI=1S/C24H17F4N5O3/c25-16-8-3-13(9-17(16)26)20-21(23(34)32(20)14-4-5-14)36-19-11-29-10-18-30-31-22(33(18)19)12-1-6-15(7-2-12)35-24(27)28/h1-3,6-11,14,20-21,24H,4-5H2/t20-,21+/m0/s1",QKWQBQSIFWCCDO-LEWJYISDSA-N
,INHERITED,,MMV672689,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(O[C@H]4CN(C5CC5)[C@@H]4C6=CC(F)=C(F)C=C6)N32,"InChI=1S/C24H19F4N5O2/c25-17-8-3-14(9-18(17)26)22-19(12-32(22)15-4-5-15)35-21-11-29-10-20-30-31-23(33(20)21)13-1-6-16(7-2-13)34-24(27)28/h1-3,6-11,15,19,22,24H,4-5,12H2/t19-,22+/m0/s1",WHJQMHNZFFDXED-SIKLNZKXSA-N
,INHERITED,,MMV672619,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC(O[C@@H]4C(N(C5CC5)[C@@H]4C6=CC=C(F)C(F)=C6)=O)=CN32,"InChI=1S/C24H17F4N5O3/c25-16-8-3-13(9-17(16)26)20-21(23(34)33(20)14-4-5-14)36-19-11-32-18(10-29-19)30-31-22(32)12-1-6-15(7-2-12)35-24(27)28/h1-3,6-11,14,20-21,24H,4-5H2/t20-,21+/m1/s1",NWJYDZNWZUIDSH-RTWAWAEBSA-N
,INHERITED,,MMV672727,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(C)(F)C4=CC(F)=C(F)C=C4)N32,"InChI=1S/C21H15F5N4O2/c1-21(26,13-4-7-15(22)16(23)8-13)11-31-18-10-27-9-17-28-29-19(30(17)18)12-2-5-14(6-3-12)32-20(24)25/h2-10,20H,11H2,1H3",MHMDPQOWBHVFHN-UHFFFAOYSA-N
,INHERITED,,MMV672723,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(C)(O)C4=CC(F)=C(F)C=C4)N32,"InChI=1S/C21H16F4N4O3/c1-21(30,13-4-7-15(22)16(23)8-13)11-31-18-10-26-9-17-27-28-19(29(17)18)12-2-5-14(6-3-12)32-20(24)25/h2-10,20,30H,11H2,1H3",NBSLUXDUMZFLCA-UHFFFAOYSA-N
,INHERITED,,MMV672936,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(F)C4=CC=C(F)C(F)=C4)N32,"InChI=1S/C20H13F5N4O2/c21-14-6-3-12(7-15(14)22)16(23)10-30-18-9-26-8-17-27-28-19(29(17)18)11-1-4-13(5-2-11)31-20(24)25/h1-9,16,20H,10H2",LWSXCRQHVHDFGX-UHFFFAOYSA-N
,INHERITED,,MMV669025,FC(F)OC(C=C1)=CC=C1C2=NN=C3C(NC=C(OCCC4=CC(F)=C(F)C=C4)N32)=O,"InChI=1S/C20H14F4N4O3/c21-14-6-1-11(9-15(14)22)7-8-30-16-10-25-19(29)18-27-26-17(28(16)18)12-2-4-13(5-3-12)31-20(23)24/h1-6,9-10,20H,7-8H2,(H,25,29)",ZXMYJCVYBZFJIJ-UHFFFAOYSA-N
,INHERITED,,MMV669544,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(CNC(C4=CC(Cl)=CC=C4)=O)N32,"InChI=1S/C20H14ClF2N5O2/c21-14-3-1-2-13(8-14)19(29)25-10-15-9-24-11-17-26-27-18(28(15)17)12-4-6-16(7-5-12)30-20(22)23/h1-9,11,20H,10H2,(H,25,29)",MBAFXUKPARBNKZ-UHFFFAOYSA-N
,INHERITED,,MMV672626,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC(C(F)(F)F)C4(CC4)C5=CC(F)=C(F)C=C5)N32,"InChI=1S/C23H15F7N4O2/c24-15-6-3-13(9-16(15)25)22(7-8-22)20(23(28,29)30)36-18-11-31-10-17-32-33-19(34(17)18)12-1-4-14(5-2-12)35-21(26)27/h1-6,9-11,20-21H,7-8H2",LNNLHAVRECQEJD-UHFFFAOYSA-N
,INHERITED,,MMV672992,N#CC(C=C1)=CC=C1C2=NN=C3C=CC(NCCC4=CC=CN=C4)=NN32,"InChI=1S/C19H15N7/c20-12-14-3-5-16(6-4-14)19-24-23-18-8-7-17(25-26(18)19)22-11-9-15-2-1-10-21-13-15/h1-8,10,13H,9,11H2,(H,22,25)",SGPGHQWZSGYQTQ-UHFFFAOYSA-N
,INHERITED,,MMV672942,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=CC(NCCC4=CC=C(F)C=C4)=NN32,"InChI=1S/C20H16F3N5O/c21-15-5-1-13(2-6-15)11-12-24-17-9-10-18-25-26-19(28(18)27-17)14-3-7-16(8-4-14)29-20(22)23/h1-10,20H,11-12H2,(H,24,27)",POFIVTHXYFQSHM-UHFFFAOYSA-N
,INHERITED,,MMV672939,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=CC(OCCC4=CC=C(F)C(F)=C4)=NN32,"InChI=1S/C20H14F4N4O2/c21-15-6-1-12(11-16(15)22)9-10-29-18-8-7-17-25-26-19(28(17)27-18)13-2-4-14(5-3-13)30-20(23)24/h1-8,11,20H,9-10H2",POGWIRSWBGSGTG-UHFFFAOYSA-N
,INHERITED,,MMV669304,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(CCCC4=CC=CC=C4)N32,"InChI=1S/C21H18F2N4O/c22-21(23)28-18-11-9-16(10-12-18)20-26-25-19-14-24-13-17(27(19)20)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-14,21H,4,7-8H2",FVXHZUZPPRAVJU-UHFFFAOYSA-N
,INHERITED,,MMV669310,FC(F)OC(C=C1)=CC=C1C2=NN=C3CNCC(CCCC4=CC=CC=C4)N32,"InChI=1S/C21H22F2N4O/c22-21(23)28-18-11-9-16(10-12-18)20-26-25-19-14-24-13-17(27(19)20)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,17,21,24H,4,7-8,13-14H2",XZRWDQJUYUQTBS-UHFFFAOYSA-N
,INHERITED,,MMV669305,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(CCN4CCOCC4)N32,"InChI=1S/C18H19F2N5O2/c19-18(20)27-15-3-1-13(2-4-15)17-23-22-16-12-21-11-14(25(16)17)5-6-24-7-9-26-10-8-24/h1-4,11-12,18H,5-10H2",ABRPYUCAABEXTH-UHFFFAOYSA-N
,INHERITED,,MMV668956,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4CN(C5=CC(F)=C(F)C=C5)C4)N32,"InChI=1S/C21H15F4N5O2/c22-16-6-3-13(7-17(16)23)29-10-15(11-29)31-19-9-26-8-18-27-28-20(30(18)19)12-1-4-14(5-2-12)32-21(24)25/h1-9,15,21H,10-11H2",FFDOLPKXJUAFAH-UHFFFAOYSA-N
,INHERITED,,MMV670438,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC4(COC4)C5=CC(F)=C(F)C=C5)N32,"InChI=1S/C22H16F4N4O3/c23-16-6-3-14(7-17(16)24)22(10-31-11-22)12-32-19-9-27-8-18-28-29-20(30(18)19)13-1-4-15(5-2-13)33-21(25)26/h1-9,21H,10-12H2",OJUVKHOEBUOJFA-UHFFFAOYSA-N
,INHERITED,,MMV672990,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC(NC(CC4=CC(Cl)=CC=C4)=O)=CN32,"InChI=1S/C20H14ClF2N5O2/c21-14-3-1-2-12(8-14)9-18(29)25-16-11-28-17(10-24-16)26-27-19(28)13-4-6-15(7-5-13)30-20(22)23/h1-8,10-11,20H,9H2,(H,25,29)",WVWDZRMVJLISBP-UHFFFAOYSA-N
,INHERITED,,MMV671655,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC(NC4=CC(F)=C(F)C=C4)=CN32,"InChI=1S/C18H11F4N5O/c19-13-6-3-11(7-14(13)20)24-15-9-27-16(8-23-15)25-26-17(27)10-1-4-12(5-2-10)28-18(21)22/h1-9,18,24H",JCBPTHDURYGLBR-UHFFFAOYSA-N
,INHERITED,,MMV670949,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC(NCC4=CC(F)=C(F)C=C4)=CN32,"InChI=1S/C19H13F4N5O/c20-14-6-1-11(7-15(14)21)8-24-16-10-28-17(9-25-16)26-27-18(28)12-2-4-13(5-3-12)29-19(22)23/h1-7,9-10,19,24H,8H2",HQILIKFLQAQYLT-UHFFFAOYSA-N
,INHERITED,,MMV671927,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC(NCCC4=CC=C(F)C=C4)=CN32,"InChI=1S/C20H16F3N5O/c21-15-5-1-13(2-6-15)9-10-24-17-12-28-18(11-25-17)26-27-19(28)14-3-7-16(8-4-14)29-20(22)23/h1-8,11-12,20,24H,9-10H2",GVXYAEXVJYZTBB-UHFFFAOYSA-N
,INHERITED,,MMV671926,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC(OC4=CC(F)=C(F)C=C4)=CN32,"InChI=1S/C18H10F4N4O2/c19-13-6-5-12(7-14(13)20)27-16-9-26-15(8-23-16)24-25-17(26)10-1-3-11(4-2-10)28-18(21)22/h1-9,18H",FIPLRRUMZPXECW-UHFFFAOYSA-N
,INHERITED,,MMV670946,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC(OCC4=CC(F)=C(F)C=C4)=CN32,"InChI=1S/C19H12F4N4O2/c20-14-6-1-11(7-15(14)21)10-28-17-9-27-16(8-24-17)25-26-18(27)12-2-4-13(5-3-12)29-19(22)23/h1-9,19H,10H2",PPYIQNQWTQZDBZ-UHFFFAOYSA-N
,INHERITED,,MMV670945,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC(OCCC4=CC=C(F)C(F)=C4)=CN32,"InChI=1S/C20H14F4N4O2/c21-15-6-1-12(9-16(15)22)7-8-29-18-11-28-17(10-25-18)26-27-19(28)13-2-4-14(5-3-13)30-20(23)24/h1-6,9-11,20H,7-8H2",PHGWNHSKOAAQGR-UHFFFAOYSA-N
,INHERITED,,MMV668822,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=[N+]([O-])C=C(OCCC4=CC(F)=C(F)C=C4)N32,"InChI=1S/C20H14F4N4O3/c21-15-6-1-12(9-16(15)22)7-8-30-18-11-27(29)10-17-25-26-19(28(17)18)13-2-4-14(5-3-13)31-20(23)24/h1-6,9-11,20H,7-8H2",CUNPWKYJVCNHNZ-UHFFFAOYSA-N
,INHERITED,,MMV671677,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NCC4=C(Cl)C(C(F)(F)F)=CC=C4)=O)N32,"InChI=1S/C21H13ClF5N5O2/c22-17-12(2-1-3-14(17)21(25,26)27)8-29-19(33)15-9-28-10-16-30-31-18(32(15)16)11-4-6-13(7-5-11)34-20(23)24/h1-7,9-10,20H,8H2,(H,29,33)",YLYCMIJACQNNRW-UHFFFAOYSA-N
,INHERITED,,MMV671676,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NCC4=C(Cl)C=CC(Cl)=C4)=O)N32,"InChI=1S/C20H13Cl2F2N5O2/c21-13-3-6-15(22)12(7-13)8-26-19(30)16-9-25-10-17-27-28-18(29(16)17)11-1-4-14(5-2-11)31-20(23)24/h1-7,9-10,20H,8H2,(H,26,30)",CPOFXXWYWLQUAV-UHFFFAOYSA-N
,INHERITED,,MMV669543,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NCC4=CC(F)=C(F)C=C4)=O)N32,"InChI=1S/C20H13F4N5O2/c21-14-6-1-11(7-15(14)22)8-26-19(30)16-9-25-10-17-27-28-18(29(16)17)12-2-4-13(5-3-12)31-20(23)24/h1-7,9-10,20H,8H2,(H,26,30)",WYPSTIZOCCDRJV-UHFFFAOYSA-N
,INHERITED,,MMV672618,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC=C(N(C)C=C5)C5=C4)N32,"InChI=1S/C21H15F2N5O2/c1-27-9-8-14-10-16(6-7-17(14)27)29-19-12-24-11-18-25-26-20(28(18)19)13-2-4-15(5-3-13)30-21(22)23/h2-12,21H,1H3",PIGKBNOMLGKKHV-UHFFFAOYSA-N
,INHERITED,,MMV668962,FC(F)OC(C=C1)=CC=C1C2=NN=C3CN(C(CN)=O)CCN32,"InChI=1S/C14H15F2N5O2/c15-14(16)23-10-3-1-9(2-4-10)13-19-18-11-8-20(12(22)7-17)5-6-21(11)13/h1-4,14H,5-8,17H2",OUDHTFLYUDWELS-UHFFFAOYSA-N
,INHERITED,,MMV669541,FC(F)OC(C=C1)=CC=C1C2=NN=C3C(C)=NC=C(OCCC4=CC(F)=C(F)C=C4)N32,"InChI=1S/C21H16F4N4O2/c1-12-19-27-28-20(14-3-5-15(6-4-14)31-21(24)25)29(19)18(11-26-12)30-9-8-13-2-7-16(22)17(23)10-13/h2-7,10-11,21H,8-9H2,1H3",ZOSZOZWECBRIDQ-UHFFFAOYSA-N
,INHERITED,,MMV668823,FC(F)OC(C=C1)=CC=C1C2=NN=C3C(Cl)=NC=C(OCCC4=CC(F)=C(F)C=C4)N32,"InChI=1S/C20H13ClF4N4O2/c21-17-19-28-27-18(12-2-4-13(5-3-12)31-20(24)25)29(19)16(10-26-17)30-8-7-11-1-6-14(22)15(23)9-11/h1-6,9-10,20H,7-8H2",FOQQXRIKYKUBGB-UHFFFAOYSA-N
,INHERITED,,MMV669311,FC(F)OC(C=C1)=CC=C1C2=NN=C3C(N)=NC=C(OCCC4=CC(F)=C(F)C=C4)N32,"InChI=1S/C20H15F4N5O2/c21-14-6-1-11(9-15(14)22)7-8-30-16-10-26-17(25)19-28-27-18(29(16)19)12-2-4-13(5-3-12)31-20(23)24/h1-6,9-10,20H,7-8H2,(H2,25,26)",XAQYLJFKZCILRM-UHFFFAOYSA-N
,INHERITED,,MMV669102,FC(F)OC(C=C1)=CC=C1C2=NN=C3C(N(CC)CC)=NC=C(OCCC4=CC(F)=C(F)C=C4)N32,"InChI=1S/C24H23F4N5O2/c1-3-32(4-2)22-23-31-30-21(16-6-8-17(9-7-16)35-24(27)28)33(23)20(14-29-22)34-12-11-15-5-10-18(25)19(26)13-15/h5-10,13-14,24H,3-4,11-12H2,1-2H3",XEJMUSAAKCRDEX-UHFFFAOYSA-N
,INHERITED,,MMV668960,FC(F)OC(C=C1)=CC=C1C2=NN=C3CNCCN32,"InChI=1S/C12H12F2N4O/c13-12(14)19-9-3-1-8(2-4-9)11-17-16-10-7-15-5-6-18(10)11/h1-4,12,15H,5-7H2",QETDXPHMFLDYRQ-UHFFFAOYSA-N
,INHERITED,,MMV669105,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(N(C)CC4=CC(Cl)=CC=C4)=O)N32,"InChI=1S/C21H16ClF2N5O2/c1-28(12-13-3-2-4-15(22)9-13)20(30)17-10-25-11-18-26-27-19(29(17)18)14-5-7-16(8-6-14)31-21(23)24/h2-11,21H,12H2,1H3",UIQMDRDWZSXMKZ-UHFFFAOYSA-N
,,,MMV669021,c1ncc2n(c1C(=O)N[C@H](c1ccccc1)C)c(nn2)c1ccc(cc1)OC(F)F,"InChI=1S/C21H17F2N5O2/c1-13(14-5-3-2-4-6-14)25-20(29)17-11-24-12-18-26-27-19(28(17)18)15-7-9-16(10-8-15)30-21(22)23/h2-13,21H,1H3,(H,25,29)/t13-/m0/s1 AuxInfo=1/1/N:17,14,13,15,12,16,22,26,23,25,1,3,10,11,21,24,6,4,18,7,28,29,30,2,9,20,19,5,8,27/E:(3,4)(5,6)(7,8)(9,10)(22,23)/it:im/rA:30CNCCNCCONC.eCCCCCCCCNNCCCCCCOCFF/rB:s1;d2;s3;s4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;s14;s11d15;P10;s5;d18;d4s19;s18;d21;s22;d23;s24;s21d25;s24;s27;s28;s28;/rC:6.2576,3.6128,0;6.2576,2.0728,0;4.9239,1.3028,0;3.5902,2.0728,0;3.5902,3.6128,0;4.9239,4.3828,0;4.9239,5.9228,0;3.5902,6.6928,0;6.2576,6.6928,0;6.2576,8.2328,0;7.5913,9.0028,0;7.5913,10.5428,0;8.925,11.3128,0;10.2586,10.5428,0;10.2586,9.0028,0;8.925,8.2328,0;4.9239,9.0028,0;2.1256,4.0887,0;1.2204,2.8428,0;2.1256,1.5969,0;1.6497,5.5533,0;.1434,5.8735,0;-.3325,7.3382,0;.698,8.4826,0;2.2043,8.1624,0;2.6802,6.6978,0;.2221,9.9472,0;-1.2843,10.2674,0;-2.3147,9.123,0;-1.7602,11.732,0;",MLKRVCDSVIMHCB-ZDUSSCGKSA-N
,INHERITED,,MMV670768,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(N4C(C=CC(F)=C5)=C5CC4)=O)N32,"InChI=1S/C21H14F3N5O2/c22-14-3-6-16-13(9-14)7-8-28(16)20(30)17-10-25-11-18-26-27-19(29(17)18)12-1-4-15(5-2-12)31-21(23)24/h1-6,9-11,21H,7-8H2",FHJDERXELJTUQL-UHFFFAOYSA-N
,INHERITED,,MMV671654,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NC4=CC=C(F)C=C4Cl)=O)N32,"InChI=1S/C19H11ClF3N5O2/c20-13-7-11(21)3-6-14(13)25-18(29)15-8-24-9-16-26-27-17(28(15)16)10-1-4-12(5-2-10)30-19(22)23/h1-9,19H,(H,25,29)",UDYGHIAMQUSWIO-UHFFFAOYSA-N
,INHERITED,,MMV672624,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NC4CCC5=C4C=CC(Cl)=C5)=O)N32,"InChI=1S/C22H16ClF2N5O2/c23-14-4-7-16-13(9-14)3-8-17(16)27-21(31)18-10-26-11-19-28-29-20(30(18)19)12-1-5-15(6-2-12)32-22(24)25/h1-2,4-7,9-11,17,22H,3,8H2,(H,27,31)",HNBNSRMVIRFWNX-UHFFFAOYSA-N
,INHERITED,,MMV672625,O=C(NC1=CC=NC(C(F)(F)F)=C1)C2=CN=CC3=NN=C(C4=C(C)N(C5=CC=C(F)C=C5)N=C4C)N32,"InChI=1S/C23H16F4N8O/c1-12-20(13(2)35(33-12)16-5-3-14(24)4-6-16)21-32-31-19-11-28-10-17(34(19)21)22(36)30-15-7-8-29-18(9-15)23(25,26)27/h3-11H,1-2H3,(H,29,30,36)",XBUPBXHBMRAQPD-UHFFFAOYSA-N
,INHERITED,,MMV669027,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NCCC4=CC=CC=C4)=O)N32,"InChI=1S/C21H17F2N5O2/c22-21(23)30-16-8-6-15(7-9-16)19-27-26-18-13-24-12-17(28(18)19)20(29)25-11-10-14-4-2-1-3-5-14/h1-9,12-13,21H,10-11H2,(H,25,29)",VPVKOTUNZQTQGJ-UHFFFAOYSA-N
,INHERITED,,MMV669026,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NC4=CC=CC=N4)=O)N32,"InChI=1S/C18H12F2N6O2/c19-18(20)28-12-6-4-11(5-7-12)16-25-24-15-10-21-9-13(26(15)16)17(27)23-14-3-1-2-8-22-14/h1-10,18H,(H,22,23,27)",LMNKFRDAYYFGDY-UHFFFAOYSA-N
,INHERITED,,MMV669002,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NCC4=C(Cl)C=CC=C4)=O)N32,"InChI=1S/C20H14ClF2N5O2/c21-15-4-2-1-3-13(15)9-25-19(29)16-10-24-11-17-26-27-18(28(16)17)12-5-7-14(8-6-12)30-20(22)23/h1-8,10-11,20H,9H2,(H,25,29)",KXOGBDHDGOMMBL-UHFFFAOYSA-N
,INHERITED,,MMV670243,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(CCCC4=CC(F)=C(F)C=C4)N32,"InChI=1S/C21H16F4N4O/c22-17-9-4-13(10-18(17)23)2-1-3-15-11-26-12-19-27-28-20(29(15)19)14-5-7-16(8-6-14)30-21(24)25/h4-12,21H,1-3H2",LRAREZHFBCZJIU-UHFFFAOYSA-N
,INHERITED,,MMV669312,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(CCN4CC(C=CC=C5)=C5C4)N32,"InChI=1S/C22H19F2N5O/c23-22(24)30-19-7-5-15(6-8-19)21-27-26-20-12-25-11-18(29(20)21)9-10-28-13-16-3-1-2-4-17(16)14-28/h1-8,11-12,22H,9-10,13-14H2",GQXSFCDTPDFAAJ-UHFFFAOYSA-N
,INHERITED,,MMV668824,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(CCO)N32,"InChI=1S/C14H12F2N4O2/c15-14(16)22-11-3-1-9(2-4-11)13-19-18-12-8-17-7-10(5-6-21)20(12)13/h1-4,7-8,14,21H,5-6H2",VHAPEQORRZDNKC-UHFFFAOYSA-N
,INHERITED,,MMV668955,FC(F)OC(C=C1)=CC=C1C2=NN=C3CNCC(CCO)N32,"InChI=1S/C14H16F2N4O2/c15-14(16)22-11-3-1-9(2-4-11)13-19-18-12-8-17-7-10(5-6-21)20(12)13/h1-4,10,14,17,21H,5-8H2",PSSFFOLKPUSBCU-UHFFFAOYSA-N
,INHERITED,,MMV669360,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(COCC4=CC(F)=C(F)C=C4)N32,"InChI=1S/C20H14F4N4O2/c21-16-6-1-12(7-17(16)22)10-29-11-14-8-25-9-18-26-27-19(28(14)18)13-2-4-15(5-3-13)30-20(23)24/h1-9,20H,10-11H2",ZFZFBHJVOPWPMU-UHFFFAOYSA-N
,INHERITED,,MMV671652,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(N[C@H](C4=CC=C(F)C(F)=C4)CO)N32,"InChI=1S/C20H15F4N5O2/c21-14-6-3-12(7-15(14)22)16(10-30)26-17-8-25-9-18-27-28-19(29(17)18)11-1-4-13(5-2-11)31-20(23)24/h1-9,16,20,26,30H,10H2/t16-/m0/s1",SVFYCNYIUKOGIZ-INIZCTEOSA-N
,INHERITED,,MMV668957,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(N4CCC(C5=CC=CC=C5)C4)N32,"InChI=1S/C22H19F2N5O/c23-22(24)30-18-8-6-16(7-9-18)21-27-26-19-12-25-13-20(29(19)21)28-11-10-17(14-28)15-4-2-1-3-5-15/h1-9,12-13,17,22H,10-11,14H2",DHFJQIXVZGXHFA-UHFFFAOYSA-N
,INHERITED,,MMV671678,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(N4C=CN=C4CC5=CC=C(F)C(F)=C5)N32,"InChI=1S/C22H14F4N6O/c23-16-6-1-13(9-17(16)24)10-18-28-7-8-31(18)20-12-27-11-19-29-30-21(32(19)20)14-2-4-15(5-3-14)33-22(25)26/h1-9,11-12,22H,10H2",IWRWYQUIBQGAAF-UHFFFAOYSA-N
,INHERITED,,MMV671653,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(N4N=CC(C5=CC(F)=C(F)C=C5)=C4)N32,"InChI=1S/C21H12F4N6O/c22-16-6-3-13(7-17(16)23)14-8-27-30(11-14)19-10-26-9-18-28-29-20(31(18)19)12-1-4-15(5-2-12)32-21(24)25/h1-11,21H",ZWEIKBFHIWDMSU-UHFFFAOYSA-N
,INHERITED,,MMV670934,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(NC4=CC=C(Cl)C(Cl)=C4)N32,"InChI=1S/C18H11Cl2F2N5O/c19-13-6-3-11(7-14(13)20)24-15-8-23-9-16-25-26-17(27(15)16)10-1-4-12(5-2-10)28-18(21)22/h1-9,18,24H",TZGDENMOWJZOCE-UHFFFAOYSA-N
,INHERITED,,MMV671651,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC[C@H](N)C4=CC(F)=C(F)C=C4)N32,"InChI=1S/C20H15F4N5O2/c21-14-6-3-12(7-15(14)22)16(25)10-30-18-9-26-8-17-27-28-19(29(17)18)11-1-4-13(5-2-11)31-20(23)24/h1-9,16,20H,10,25H2/t16-/m0/s1",BIGCWGPLTSPPFJ-INIZCTEOSA-N
,INHERITED,,MMV671650,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC(C(F)(F)F)=C(Cl)C=C4)N32,"InChI=1S/C19H10ClF5N4O2/c20-14-6-5-12(7-13(14)19(23,24)25)30-16-9-26-8-15-27-28-17(29(15)16)10-1-3-11(4-2-10)31-18(21)22/h1-9,18H",JMNZLRAAYWFJSK-UHFFFAOYSA-N
,INHERITED,,MMV670765,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC(Cl)=C(Cl)C=C4)N32,"InChI=1S/C18H10Cl2F2N4O2/c19-13-6-5-12(7-14(13)20)27-16-9-23-8-15-24-25-17(26(15)16)10-1-3-11(4-2-10)28-18(21)22/h1-9,18H",XMEKRAWNUWCYBR-UHFFFAOYSA-N
,INHERITED,,MMV672620,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC(N=C(C(F)(F)F)C=C5)=C5C=C4)N32,"InChI=1S/C22H12F5N5O2/c23-21(24)34-14-5-2-13(3-6-14)20-31-30-18-10-28-11-19(32(18)20)33-15-7-1-12-4-8-17(22(25,26)27)29-16(12)9-15/h1-11,21H",INVOZROXGPLPEO-UHFFFAOYSA-N
,INHERITED,,MMV670659,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC(C=CC=C5)=C5C=C4)N32,"InChI=1S/C22H14F2N4O2/c23-22(24)30-17-8-6-15(7-9-17)21-27-26-19-12-25-13-20(28(19)21)29-18-10-5-14-3-1-2-4-16(14)11-18/h1-13,22H",OICXVTBHLZSJIW-UHFFFAOYSA-N
,INHERITED,,MMV671649,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC(CCCC5)=C5C=C4)N32,"InChI=1S/C22H18F2N4O2/c23-22(24)30-17-8-6-15(7-9-17)21-27-26-19-12-25-13-20(28(19)21)29-18-10-5-14-3-1-2-4-16(14)11-18/h5-13,22H,1-4H2",FYSOARLAJJFNEA-UHFFFAOYSA-N
,INHERITED,,MMV672989,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC5=NC(OC)=CC=C5C=C4)N32,"InChI=1S/C22H15F2N5O3/c1-30-19-9-5-13-2-8-16(10-17(13)26-19)31-20-12-25-11-18-27-28-21(29(18)20)14-3-6-15(7-4-14)32-22(23)24/h2-12,22H,1H3",GCCMQYNBUCBGOJ-UHFFFAOYSA-N
,INHERITED,,MMV671929,ClC(C(Cl)=C1)=CC=C1OC2=CN=CC3=NN=C(C4=C(C)N(C5=CC=C(F)C=C5)N=C4C)N32,"InChI=1S/C22H15Cl2FN6O/c1-12-21(13(2)31(29-12)15-5-3-14(25)4-6-15)22-28-27-19-10-26-11-20(30(19)22)32-16-7-8-17(23)18(24)9-16/h3-11H,1-2H3",GLBSIKNHNLXVTJ-UHFFFAOYSA-N
,INHERITED,,MMV671648,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC=C(C(C)(C)C)C=C4)N32,"InChI=1S/C22H20F2N4O2/c1-22(2,3)15-6-10-16(11-7-15)29-19-13-25-12-18-26-27-20(28(18)19)14-4-8-17(9-5-14)30-21(23)24/h4-13,21H,1-3H3",ZOWPQULSJIFHAL-UHFFFAOYSA-N
,INHERITED,,MMV670764,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC=C(C(F)(F)F)C=C4)N32,"InChI=1S/C19H11F5N4O2/c20-18(21)30-14-5-1-11(2-6-14)17-27-26-15-9-25-10-16(28(15)17)29-13-7-3-12(4-8-13)19(22,23)24/h1-10,18H",CONUSWGEFVYDPG-UHFFFAOYSA-N
,INHERITED,,MMV669784,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC=C(Cl)C=C4)N32,"InChI=1S/C18H11ClF2N4O2/c19-12-3-7-13(8-4-12)26-16-10-22-9-15-23-24-17(25(15)16)11-1-5-14(6-2-11)27-18(20)21/h1-10,18H",WXNPYOXFQUYIOI-UHFFFAOYSA-N
,INHERITED,,MMV671680,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC=C(S(F)(F)(F)(F)F)C=C4)N32,"InChI=1S/C18H11F7N4O2S/c19-18(20)31-13-3-1-11(2-4-13)17-28-27-15-9-26-10-16(29(15)17)30-12-5-7-14(8-6-12)32(21,22,23,24)25/h1-10,18H",JRUPFXIUMYRPCH-UHFFFAOYSA-N
,INHERITED,,MMV672622,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC=C(C(C)=CC(C)(C)O5)C5=C4)N32,"InChI=1S/C24H20F2N4O3/c1-14-11-24(2,3)33-19-10-17(8-9-18(14)19)31-21-13-27-12-20-28-29-22(30(20)21)15-4-6-16(7-5-15)32-23(25)26/h4-13,23H,1-3H3",JSLPLPVOHWRSQR-UHFFFAOYSA-N
,INHERITED,,MMV672940,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC=C(C=C(F)C(F)=C5)C5=C4)N32,"InChI=1S/C22H12F4N4O2/c23-17-8-13-3-6-16(7-14(13)9-18(17)24)31-20-11-27-10-19-28-29-21(30(19)20)12-1-4-15(5-2-12)32-22(25)26/h1-11,22H",NJZAMAPESVYMRZ-UHFFFAOYSA-N
,INHERITED,,MMV672941,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC=C(C(F)=CC(F)=C5)C5=C4)N32,"InChI=1S/C22H12F4N4O2/c23-14-7-13-8-16(5-6-17(13)18(24)9-14)31-20-11-27-10-19-28-29-21(30(19)20)12-1-3-15(4-2-12)32-22(25)26/h1-11,22H",DTSQOCXVVNBKAJ-UHFFFAOYSA-N
,INHERITED,,MMV672730,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC=C(N=C(C(F)(F)F)N=C5)C5=C4)N32,"InChI=1S/C21H11F5N6O2/c22-20(23)34-13-3-1-11(2-4-13)18-31-30-16-9-27-10-17(32(16)18)33-14-5-6-15-12(7-14)8-28-19(29-15)21(24,25)26/h1-10,20H",HMMAXUVKMPWCSS-UHFFFAOYSA-N
,INHERITED,,MMV672623,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC=C(C=NN5C)C5=C4)N32,"InChI=1S/C20H14F2N6O2/c1-27-16-8-15(7-4-13(16)9-24-27)29-18-11-23-10-17-25-26-19(28(17)18)12-2-5-14(6-3-12)30-20(21)22/h2-11,20H,1H3",ZBBRDTJSXGCMJO-UHFFFAOYSA-N
,INHERITED,,MMV672686,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC5=NN(C)C=C5C=C4)N32,"InChI=1S/C20H14F2N6O2/c1-27-11-13-4-7-15(8-16(13)26-27)29-18-10-23-9-17-24-25-19(28(17)18)12-2-5-14(6-3-12)30-20(21)22/h2-11,20H,1H3",DWADAQMBGKHLCV-UHFFFAOYSA-N
,INHERITED,,MMV672621,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC=C(C(C)=NO5)C5=C4)N32,"InChI=1S/C20H13F2N5O3/c1-11-15-7-6-14(8-16(15)30-26-11)28-18-10-23-9-17-24-25-19(27(17)18)12-2-4-13(5-3-12)29-20(21)22/h2-10,20H,1H3",WSIIGDBXJAXHGJ-UHFFFAOYSA-N
,INHERITED,,MMV672937,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC=C(C=CS5)C5=C4)N32,"InChI=1S/C20H12F2N4O2S/c21-20(22)28-14-4-2-13(3-5-14)19-25-24-17-10-23-11-18(26(17)19)27-15-6-1-12-7-8-29-16(12)9-15/h1-11,20H",MLBNXJTXHVBPEC-UHFFFAOYSA-N
,INHERITED,,MMV670935,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC=CC(Cl)=C4)N32,"InChI=1S/C18H11ClF2N4O2/c19-12-2-1-3-14(8-12)26-16-10-22-9-15-23-24-17(25(15)16)11-4-6-13(7-5-11)27-18(20)21/h1-10,18H",KXCPLUGLCFKSCH-UHFFFAOYSA-N
,INHERITED,,MMV672725,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC4=CC=CC(OC5=CC=CC=N5)=C4)N32,"InChI=1S/C23H15F2N5O3/c24-23(25)33-16-9-7-15(8-10-16)22-29-28-19-13-26-14-21(30(19)22)32-18-5-3-4-17(12-18)31-20-6-1-2-11-27-20/h1-14,23H",FPATVVYYDYTPJA-UHFFFAOYSA-N
,INHERITED,,MMV671647,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(N4CCOCC4)C5=CC(F)=C(F)C=C5)N32,"InChI=1S/C24H21F4N5O3/c25-18-6-3-16(11-19(18)26)20(32-7-9-34-10-8-32)14-35-22-13-29-12-21-30-31-23(33(21)22)15-1-4-17(5-2-15)36-24(27)28/h1-6,11-13,20,24H,7-10,14H2",MTYMSRWFPISKOF-UHFFFAOYSA-N
,INHERITED,,MMV671679,FC(C=C1)=CC=C1N(N=C2C)C(C)=C2C3=NN=C4C=NC=C(OCC(F)(F)F)N43,"InChI=1S/C18H14F4N6O/c1-10-16(11(2)28(26-10)13-5-3-12(19)4-6-13)17-25-24-14-7-23-8-15(27(14)17)29-9-18(20,21)22/h3-8H,9H2,1-2H3",LZBDIFIBPJUBOJ-UHFFFAOYSA-N
,INHERITED,,MMV670762,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC(F)(F)F)N32,"InChI=1S/C14H9F5N4O2/c15-13(16)25-9-3-1-8(2-4-9)12-22-21-10-5-20-6-11(23(10)12)24-7-14(17,18)19/h1-6,13H,7H2",VZIMTSNALAAOKI-UHFFFAOYSA-N
,INHERITED,,MMV672726,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC4CCC5=C4C=CC(Cl)=C5)N32,"InChI=1S/C22H17ClF2N4O2/c23-16-5-8-18-14(9-16)1-2-15(18)12-30-20-11-26-10-19-27-28-21(29(19)20)13-3-6-17(7-4-13)31-22(24)25/h3-11,15,22H,1-2,12H2",VIJBNSUMCSOTCB-UHFFFAOYSA-N
,INHERITED,,MMV668961,FC(C=C1)=C(F)C=C1CCOC2=CN=CC3=NN=C(C4CCN(C(C)=O)CC4)N32,"InChI=1S/C20H21F2N5O2/c1-13(28)26-7-4-15(5-8-26)20-25-24-18-11-23-12-19(27(18)20)29-9-6-14-2-3-16(21)17(22)10-14/h2-3,10-12,15H,4-9H2,1H3",QWBQVZOVKHIBBF-UHFFFAOYSA-N
,INHERITED,,MMV668959,FC(C=C1)=C(F)C=C1CCOC2=CN=CC3=NN=C(C4CCOCC4)N32,"InChI=1S/C18H18F2N4O2/c19-14-2-1-12(9-15(14)20)3-8-26-17-11-21-10-16-22-23-18(24(16)17)13-4-6-25-7-5-13/h1-2,9-11,13H,3-8H2",ROEPXHXLRPOTHS-UHFFFAOYSA-N
,INHERITED,,MMV669028,FC(C=C1)=C(F)C=C1CCOC2=CN=CC3=NN=C(N4CC(C=CC=C5)=C5C4)N32,"InChI=1S/C21H17F2N5O/c22-17-6-5-14(9-18(17)23)7-8-29-20-11-24-10-19-25-26-21(28(19)20)27-12-15-3-1-2-4-16(15)13-27/h1-6,9-11H,7-8,12-13H2",JAQFKPHMBHLZPF-UHFFFAOYSA-N
,INHERITED,,MMV669009,FC(C=C1)=C(F)C=C1CCOC2=CN=CC3=NN=C(N4CCCCC4)N32,"InChI=1S/C18H19F2N5O/c19-14-5-4-13(10-15(14)20)6-9-26-17-12-21-11-16-22-23-18(25(16)17)24-7-2-1-3-8-24/h4-5,10-12H,1-3,6-9H2",ZKHZGOFEMNTIFA-UHFFFAOYSA-N
,INHERITED,,MMV669006,FC1=CC(NC2=NN=C3C=NC=C(OCCC4=CC(F)=C(F)C=C4)N32)=CC=C1F,"InChI=1S/C19H13F4N5O/c20-13-3-1-11(7-15(13)22)5-6-29-18-10-24-9-17-26-27-19(28(17)18)25-12-2-4-14(21)16(23)8-12/h1-4,7-10H,5-6H2,(H,25,27)",MBKZMCLRDLFTKO-UHFFFAOYSA-N
,INHERITED,,MMV669850,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NC4=CC=C(F)C(F)=C4)=O)N32,"InChI=1S/C19H11F4N5O2/c20-13-6-3-11(7-14(13)21)25-18(29)15-8-24-9-16-26-27-17(28(15)16)10-1-4-12(5-2-10)30-19(22)23/h1-9,19H,(H,25,29)",KKUPIUJNLQIEQB-UHFFFAOYSA-N
,INHERITED,,MMV669849,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(C(NC4=CC=C(F)C=C4)=O)N32,"InChI=1S/C19H12F3N5O2/c20-12-3-5-13(6-4-12)24-18(28)15-9-23-10-16-25-26-17(27(15)16)11-1-7-14(8-2-11)29-19(21)22/h1-10,19H,(H,24,28)",JMGKRETUBOTWAE-UHFFFAOYSA-N
,INHERITED,,MMV672688,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OCC4=CC=CC5=C4C=CC=C5)N32,"InChI=1S/C23H16F2N4O2/c24-23(25)31-18-10-8-16(9-11-18)22-28-27-20-12-26-13-21(29(20)22)30-14-17-6-3-5-15-4-1-2-7-19(15)17/h1-13,23H,14H2",XGANTNHUKSSASO-UHFFFAOYSA-N
,INHERITED,,MMV670249,FC1=C(F)C=CC(CCOC2=CN=CC3=NN=C(N4CCC5=C4C=CC(F)=C5)N32)=C1,"InChI=1S/C21H16F3N5O/c22-15-2-4-18-14(10-15)5-7-28(18)21-27-26-19-11-25-12-20(29(19)21)30-8-6-13-1-3-16(23)17(24)9-13/h1-4,9-12H,5-8H2",LWJNQMYILRVGSA-UHFFFAOYSA-N
,INHERITED,,MMV669103,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(NS(CC4=CC=C(C(F)(F)F)C=C4)(=O)=O)N32,"InChI=1S/C20H14F5N5O3S/c21-19(22)33-15-7-3-13(4-8-15)18-28-27-16-9-26-10-17(30(16)18)29-34(31,32)11-12-1-5-14(6-2-12)20(23,24)25/h1-10,19,29H,11H2",ZOJHYLYRVAQAKL-UHFFFAOYSA-N
,INHERITED,,MMV669353,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(N4CC(C5=CC=CC=C5)C4)N32,"InChI=1S/C21H17F2N5O/c22-21(23)29-17-8-6-15(7-9-17)20-26-25-18-10-24-11-19(28(18)20)27-12-16(13-27)14-4-2-1-3-5-14/h1-11,16,21H,12-13H2",RLJNNQICWGMQFO-UHFFFAOYSA-N
,INHERITED,,MMV669008,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(N4CC(OC5=CC(F)=C(F)C=C5)C4)N32,"InChI=1S/C21H15F4N5O2/c22-16-6-5-14(7-17(16)23)31-15-10-29(11-15)19-9-26-8-18-27-28-20(30(18)19)12-1-3-13(4-2-12)32-21(24)25/h1-9,15,21H,10-11H2",QERLPIHUXGRHKE-UHFFFAOYSA-N
,INHERITED,,MMV670437,FC(F)OC(C=C1)=CC=C1C2=NN=C3C=NC=C(OC[C@H](N(C)C)C4=CC(F)=C(F)C=C4)N32,"InChI=1S/C22H19F4N5O2/c1-30(2)18(14-5-8-16(23)17(24)9-14)12-32-20-11-27-10-19-28-29-21(31(19)20)13-3-6-15(7-4-13)33-22(25)26/h3-11,18,22H,12H2,1-2H3/t18-/m0/s1",PMIWBIXSAYKRGF-SFHVURJKSA-N
,TF 16-1,,,NC1=C2C(C=C(C3CC=CC(S(=O)(N4CCCC4)=O)=C3)S2)=NC=N1,"InChI=1S/C16H18N4O2S2/c17-16-15-13(18-10-19-16)9-14(23-15)11-4-3-5-12(8-11)24(21,22)20-6-1-2-7-20/h3,5,8-11H,1-2,4,6-7H2,(H2,17,18,19)",WJXQKMZKHUBIMH-UHFFFAOYSA-N
,TF 17-1,,,NC1=C2C(C=C(C3CC=CC(S(=O)(NC)=O)=C3)S2)=NC=N1,"InChI=1S/C13H14N4O2S2/c1-15-21(18,19)9-4-2-3-8(5-9)11-6-10-12(20-11)13(14)17-7-16-10/h2,4-8,15H,3H2,1H3,(H2,14,16,17)",JKCCHEYITLJPCL-UHFFFAOYSA-N
,TF 18-1,,,NC1=C2C(C=C(C3CC=CC(S(=O)(N(C)C)=O)=C3)S2)=NC=N1,"InChI=1S/C14H16N4O2S2/c1-18(2)22(19,20)10-5-3-4-9(6-10)12-7-11-13(21-12)14(15)17-8-16-11/h3,5-9H,4H2,1-2H3,(H2,15,16,17)",KNJTYVZQHQMSEV-UHFFFAOYSA-N
,TF 3-1,,,NC1=C2C(C(C)=C(C3=CC=CC(S(=O)(N)=O)=C3)S2)=NC=N1,"InChI=1S/C13H12N4O2S2/c1-7-10-12(13(14)17-6-16-10)20-11(7)8-3-2-4-9(5-8)21(15,18)19/h2-6H,1H3,(H2,14,16,17)(H2,15,18,19)",JIUOPNISLOOEPA-UHFFFAOYSA-N
,TF 4-1,,,NC1=C2C(C(C)=C(C3C(C)C=CC(S(=O)(N)=O)=C3)S2)=NC=N1,"InChI=1S/C14H16N4O2S2/c1-7-3-4-9(22(16,19)20)5-10(7)12-8(2)11-13(21-12)14(15)18-6-17-11/h3-7,10H,1-2H3,(H2,15,17,18)(H2,16,19,20)",OTALAHLJTGALQU-UHFFFAOYSA-N
,TF 7-1,,,OCCNC1=C2C(C=C(C3=CC=CC(S(=O)(N)=O)=C3)S2)=NC=N1,"InChI=1S/C14H14N4O3S2/c15-23(20,21)10-3-1-2-9(6-10)12-7-11-13(22-12)14(16-4-5-19)18-8-17-11/h1-3,6-8,19H,4-5H2,(H2,15,20,21)(H,16,17,18)",MMGBHQAWBVFGDD-UHFFFAOYSA-N
,TF 8-1,,,OCCCNC1=C2C(C=C(C3CC=CC(S(=O)(N)=O)=C3)S2)=NC=N1,"InChI=1S/C15H18N4O3S2/c16-24(21,22)11-4-1-3-10(7-11)13-8-12-14(23-13)15(19-9-18-12)17-5-2-6-20/h1,4,7-10,20H,2-3,5-6H2,(H2,16,21,22)(H,17,18,19)",JMGQLUQOLFPKPG-UHFFFAOYSA-N
OSM-W-5,KH-7-1,,,FC(C(F)=C1)=CC=C1CCOC2=CN=CC3=NN=C(C4=CC=C(S(C)(=O)=O)C=C4)N32,"InChI=1S/C20H16F2N4O3S/c1-30(27,28)15-5-3-14(4-6-15)20-25-24-18-11-23-12-19(26(18)20)29-9-8-13-2-7-16(21)17(22)10-13/h2-7,10-12H,8-9H2,1H3",ISCYIQSGKXBNIC-UHFFFAOYSA-N
OSM-W-6,JH-5-2,,,O=C(CC1=CC=C(F)C(F)=C1)NC2=CN=CC3=NN=C(C4=CC=C(C#N)C=C4)N32,"InChI=1S/C20H12F2N6O/c21-15-6-3-13(7-16(15)22)8-19(29)25-17-10-24-11-18-26-27-20(28(17)18)14-4-1-12(9-23)2-5-14/h1-7,10-11H,8H2,(H,25,29)",WXNSEGHVFXDZGF-UHFFFAOYSA-N
OSM-W-7,JH-7-1,,,O=C(CCC1=CC(F)=C(F)C=C1)NC2=CN=CC3=NN=C(C4=CC=C(C#N)C=C4)N32,"InChI=1S/C21H14F2N6O/c22-16-7-3-13(9-17(16)23)4-8-20(30)26-18-11-25-12-19-27-28-21(29(18)19)15-5-1-14(10-24)2-6-15/h1-3,5-7,9,11-12H,4,8H2,(H,26,30)",SMRNZXNRFZNBAW-UHFFFAOYSA-N

The European Lead Factory hold annual meetings intended to support early career scientists, this years meeting will focus on "Hit to Lead optimisation". The meeting will be held at Janssen Pharmaceutica NV, Beerse, Belgium, November 6th - 7th 2017.

Full details are here https://www.europeanleadfactory.eu/early-career-researcher-event/.

Free participation (incl. reimbursement of travel costs up to € 250, accommodation, access to the social get-together) at the conference.

The draft agenda is here.

A great opportunity for those just starting on their drug discovery career.

Fragment-based screening has become increasingly popular over the last 10 years and has proven to be a viable alternative to high-throughput screening. The appeal has been driven by several features

• “Fragment Space” is smaller than “Chemical Space” and can be more effectively probed with a relatively small library
• A million compounds cover only a small fraction of the suggested 10⁶⁰ Chemical Space, whilst 2000 compounds can probe much of the 10⁶ Fragment Space
• Protein requirements should be smaller
• Binding Efficiency for small molecules is likely to be higher
• Hit rates for Fragment-based screening appear to be higher, typically 3-10%.

Whilst there are a number of biophysical methods used for Fragment-based screening structural information is often a critical step in moving the programme forward. X-ray crystallography is a very powerful technology for use in converting a "hit" into a lead for drug discovery. However, the experimental overheads have historically been too high for it to be widely used for primary screening. The X-Chem project at Diamond aims to make the technology more widely accessible.

At Diamond beamline I04-1, the full X-ray screening experiment has now been implemented as a highly streamlined process, allowing up to 1000 compounds to be screened individually in less than a week (including 36 hours' unattended beamtime). The process covers soaking, harvesting, automatic data collection, and data analysis; fragment libraries are available, though users can bring their own.

An overview of the process is available here in practice, users must generate the crystals in their home lab, and are required to come and perform soaking and harvesting themselves. Users do not need to be present for the X-ray data collection when data is collected automatically. Data analysis builds on the existing automatic data processing, and they have developed tools to streamline density interpretation and refinement (PanDDA and XChemExplorer). Use of these tools at Diamond is optional but highly recommended.

Whilst users are free to bring their own libraries a number of libraries are also available these include the Maybridge 1000, Edelris fragments, and Diamond-SGC Poised Library (DSPL), a fragment library designed to allow rapid, cheap follow-up synthesis to provide quick SAR data. The calculated physicochemical properties of the DSPL fragment collection are shown below.

For more details on the design of the library O. B. Cox, K. Krojer, P. Collins, O. Monteiro, R. Talon, A. Bradley, O. Fedorov, J. Amin, B. D. Marsden, J. Spencer, F. von Delft, P. E. Brennan, A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem. Sci.,2016. 7: p. 2322-2330 DOI.

There is more information in this podcast https://www.ndm.ox.ac.uk/frank-von-delft-x-rays-for-drug-discovery

A couple of years ago I mentioned an article reviewing antibody selectivity

In 2011, an evaluation of 246 antibodies used in epigenetic studies found that one-quarter failed tests for specificity, meaning that they often bound to more than one target. Four antibodies were perfectly specific — but to the wrong target.

The issue of antibody selectivity has again been flagged as a concern in oestrogen receptor beta research DOI. This is a major target for breast cancer research and there are multiple ongoing clinical trials https://clinicaltrials.gov/ct2/results?term=ERβ.

We here perform a rigorous validation of 13 anti-ERβ antibodies, using well-characterized controls and a panel of validation methods. We conclude that only one antibody, the rarely used monoclonal PPZ0506, specifically targets ERβ in immunohistochemistry.

Applying this antibody for protein expression profiling in 44 normal and 21 malignant human tissues, we detect ERβ protein in testis, ovary, lymphoid cells, granulosa cell tumours, and a subset of malignant melanoma and thyroid cancers. We do not find evidence of expression in normal or cancerous human breast.

Perhaps more worryingly the authors comment.

While our study focuses on ERβ, we do not think that antibodies towards ERβ are significantly poorer than those targeting other proteins, and it is not unlikely that this problem generates similar obstacles in many other fields.

As I wrote on the Target Validation page

Remember this is an absolutely critical step, almost everything else can be fixed.

I've updated the computational tools page in the Drug Discovery Resources.

Motor neurone disease (MND) describes a group of diseases that affect the nerves (motor neurones) in the brain and spinal cord, is is likely that there are multiple molecular targets. Amyotrophic lateral sclerosis (ALS) also known as Lou Gehrig's disease is the most common form of MND. Edaravone was recently approved for the treatment of ALS but the mechanism is unknown. It is a free radical scavenger and oxidative stress has been hypothesised to be part of the process that kills neurones in people with ALS. However new treatments are urgently needed.

For this reason I was particularly interested to read about a potential novel treatment for ALS arising from work between Benevolnet.ai and Sheffield Institute for Translational Neuroscience.

The study, led by Dr. Richard Mead and Dr. Laura Ferraiuolo at SITraN, assessed the efficacy of a drug candidate proposed by BenevolentAI's artificial Intelligence technology for Motor Neuron Disease (MND), also known as Amyotrophic Lateral Sclerosis (ALS). SITraN found there are significant and reproducible indications that the drug prevents the death of motor neurones in patient cell models, and delayed the onset of the disease in the gold standard model of ALS…Dr. Richard Mead of SITraN commented: "This is an exciting development in our research for a treatment for ALS. BenevolentAI came to us with some newly identified compounds discovered by their technology - two of which were new to us in the field and, following this research, are now looking very promising. Our plan now is to conduct further detailed testing and continue to quickly progress towards a potential treatment for ALS."

SITraN expect to publish an abstract at the Motor Neurone Disease Association 28th International Symposium in Boston in December 2017.

Cardiotoxicity is a major hurdle for all drug discovery programs and so I'm always interested in ways that any potential liabilities can be flagged without the need to go into whole animals. A recent publication highlights progress in developing a novel model system.

Human induced pluripotent stem cell-derived cardiomyocytes were cultured as a model system, and used to validate the platform with an excitation–contraction decoupling chemical. Preliminary data using the platform to investigate the effect of the drug norepinephrine are combined with computational efforts. This platform provides a quantitative and predictive assay system that can potentially be used for comprehensive assessment of cardiac toxicity earlier in the drug discovery process. DOI.

ChEMBL_23 has been released, it was prepared on 1st May 2017 and contains:

• 2,101,843 compound records
• 1,735,442 compounds (of which 1,727,112 have mol files)
• 14,675,320 activities
• 1,302,147 assays
• 11,538 targets
• 67,722 source documents

Data can be downloaded from the ChEMBL ftp site: ftp://ftp.ebi.ac.uk/pub/databases/chembl/ChEMBLdb/releases/chembl_23
Also includes

Deposited Data Sets
CO-ADD, The Community for Open Antimicrobial Drug Discovery, is a global open-access screening initiative launched in February 2015 to uncover significant and rich chemical diversity held outside of corporate screening collections. CO-ADD provides unencumbered free antimicrobial screening for any interested academic researcher.  CO-ADD has been recognised as a novel approach in the fight against superbugs by the Wellcome Trust, who have provided funding through their Strategic Awards initiative. Open Source Malaria (OSM) is aimed at finding new medicines for malaria using open source drug discovery, where all data and ideas are freely shared, there are no barriers to participation, and no restriction by patents. The initial set of deposited data from the CO-ADD project consists of OSM compounds screened in CO-ADD assays (DOI = 10.6019/CHEMBL3832881).

Modelled on the Malaria Box, the MMV Pathogen Box contains 400 diverse, drug-like molecules active against neglected diseases of interest and is available free of charge (http://www.pathogenbox.org). The Pathogen Box compounds are supplied in 96-well plates, containing 10 uL of a 10mM dimethyl sulfoxide (DMSO) solution of each compound. Upon request, researchers around the world will receive a Pathogen Box of molecules to help catalyse neglected disease drug discovery. In return, researchers are asked to share any data generated in the public domain within 2 years, creating an open and collaborative forum for neglected diseases drug research. The initial set of assay data provided by MMV has now been included in ChEMBL (DOI = 10.6019/CHEMBL3832761).

The European Lead Factory (ELF) is a collaborative public-private partnership aiming to deliver novel lead molecules for drug discovery programs. When the consortium was formed around 5 years ago there was a lot of scepticism about whether a group of 30 partners rating from large Pharma companies to small academic groups could ever agree on a legal framework that would allow the ELF to function. In a addition, in an industry where confidentiality was critical to maintaining intellectual property the idea that a group of large Pharma companies would share their sample collections often regarded as the "Crown Jewels" seemed impossible. However I was at the European Lead factory Stakeholder Meeting (24-25 April 2017) and it is clear that is has been a success.

Read More…

The FDA have approved deutetrabenazine, the deuterated analog of tetrabenazine, for chorea associated with Huntington disease. This represents an example of perhaps the simplest bioisostere and the first example to gain FDA approval.

There are several other examples of the H to D change to reduce the rate of metabolism and improve pharmacokinetics.

The ACS session organised by Division of Medicinal Chemistry includes a day of first disclosures of potential clinical candidates for the first time. Beth Halford was there and tweeted a series of hands drawn structures as they were disclosed. I've redrawn the structures and converted them into a single sdf file. I've also used Jupyter Notebook to calculate the physicochemical properties and plot them as shown in the image below.

As can be seen, many of the compounds are on the large size with molecular weights >450, a third of them have ionisable groups which serves to bring down the calculated LogD. All molecules contain an aromatic ring, indeed many contain multiple rings. Interestingly we see a number of examples where a biphenyl ring system bears multiple ortho substituents presumably locking the two aryl rings orthogonal, no mention of atrope isomers though. This might also reduce the planarity and increase the 3D shape.

The sdf file is available here FirstDisclosures.sdf.zip if anyone spots any errors in the structures please let me know.

I've been updating the Drug Discovery Resources section.

In particular I've added a section on target prediction tools, updated the section on Analysis of HTS data, and expanded the section on aggregation in bioassays to include a recent publication giving an example of target specific aggregation.

The crystal structure showing the interaction is available (PDB 5MU8) and is displayed below using 3Dmol.js, the ligand (JNJ525) is shown in red..

Show surface

Mouse Controls

Movement		Mouse Input		Touch Input
Rotation		Primary Mouse Button		Single touch
Translation		Middle Mouse Button or Ctrl+Primary		Triple touch
Zoom		Scroll Wheel or Second Mouse Button or Shift+Primary		Pinch (double touch)
Slab		Ctrl+Second		Not Available

In addition I've updated the section on molecular interactions.

The latest issue of the European Lead Factory Newsletter has just been published.

Highlights include the European Lead Factory recently reached the milestone of having received over 1,000 chemical library proposals for consideration. To date, 143,529 novel compounds, out of the 200,000 prospected compounds for the Public Compound Collection, have been synthesized, which means that the ELF compound collection grows daily by approximately 250 novel compounds to eventually constitute the 500,000 Joint European Compound Library (JECL).

Parkinson’s UK and the University of Sheffield have launched a joint venture biotech company, Keapstone Therapeutics. Parkinson’s UK has allocated 1 million GBP over the next sixteen months to further develop compounds that boost the internal cellular defence mechanisms against oxidative stress. These compounds were discovered by European Lead Factory.

The 19th RSC / SCI Medicinal Chemistry Symposium takes place 10th-13th September 2017 at Churchill College, Cambridge, UK. This biennial meeting is one of the highlights of the drug discover calendar. The full lecture timetable can be downloaded here.

Call for Posters
Contributions from the whole field of medicinal chemistry are invited. Flash presentation sessions are planned which will involve a two-minute presentation of poster highlights. Poster abstract submissions should be sent to the secretariat by 16th April if you wish to take advantage of the early-bird registration fee and indicate whether or not you would like to be included for consideration in the flash presentation session. The final deadline for submission of posters is 21st July.

Registration is now open and delegates are encouraged to book early to ensure places at this very popular meeting. Discounted rates are available to RSC and SCI student members, and some student bursaries are available. Applications are invited from PhD and post-doctoral students studying at European academic institutions, preferably members of the RSC, SCI or EFMC. Those submitting abstracts for poster presentation will be favoured. To apply for a student bursary, please complete and return the bursary application form by 21st July.

There is an editorial in ACS Central Science DOI that I would encourage everyone involved in hit identification to read.

A couple of quotes will give you an idea of the content

Alarmingly, up to 80–100% of initial hits from screening can be artefacts if appropriate control experiments are not employed.

it is important to realize that no PAINS-containing drug has ever been developed starting from a protein-reactive PAINS target-based screening hit

They also emphasise the critical need for experimental validation for any screening hit.

Such validation experiments include classic dose response curves, lack of incubation effects, imperviousness to mild reductants, and specificity versus counter-screening targets. If a molecule is flagged as a potential PAINS or aggregator using published patterns but is well-behaved by these criteria, it may be a true, well-behaved ligand. Ultimately, genuine SAR combined with careful mechanistic study provides the most convincing evidence for a specific interaction. Covalent and spectroscopic interference molecules act via specific physical mechanisms, for which controls are known. Colloidal aggregation, fortunately, is readily identified by rapid mechanistic tests and by counter-screening.

In addition you need to consider compound identify and purity, reproducing the activity with an authentic sample is essential.

Whilst time-consuming this validation work will save a fortune in the future.

This meeting is aimed at all those who wish to become better drug hunters and heed warnings from the past. (22 March 2017 09:00-19:00, Cardiff Bay, United Kingdom).

In the main there are two types of drug discovery programmes: those that hit serious problems and those that are going to hit serious problems. The difference between success and failure is how we, as medicinal chemists, tackle and resolve the problems

Sounds a great meeting both for those starting out in their careers and for those looking to pick up new tips.

The World Health Organisation has published a list of the top 12 bacteria for which antibiotics are urgently needed in an effort to focus research.

The list highlights in particular the threat of gram-negative bacteria that are resistant to multiple antibiotics. These bacteria have built-in abilities to find new ways to resist treatment and can pass along genetic material that allows other bacteria to become drug-resistant as well.

WHO priority pathogens list for R&D of new antibiotics

Priority 1: CRITICAL

• Acinetobacter baumannii, carbapenem-resistant
• Pseudomonas aeruginosa, carbapenem-resistant
• Enterobacteriaceae, carbapenem-resistant, ESBL-producing

Priority 2: HIGH

• Enterococcus faecium, vancomycin-resistant
• Staphylococcus aureus, methicillin-resistant, vancomycin-intermediate and resistant
• Helicobacter pylori, clarithromycin-resistant
• Campylobacter spp., fluoroquinolone-resistant
• Salmonellae, fluoroquinolone-resistant
• Neisseria gonorrhoeae, cephalosporin-resistant, fluoroquinolone-resistant

Priority 3: MEDIUM

• Streptococcus pneumoniae, penicillin-non-susceptible
• Haemophilus influenzae, ampicillin-resistant
• Shigella spp., fluoroquinolone-resistant

Update

The Community for Open Antibiotic Drug Discovery (CO-ADD) screen compounds for antimicrobial activity for academic research groups for free. The screening includes the top 5 pathogens listed in the WHO priority list, as well as the fungi C. neoformans and C. albicans. Details on how to send compounds are here. All they require is 1mg (or 50uL at 10 mg/mL) of pure compound which will be used for primary screening, hit confirmation, and if active will be used for a broader antimicrobial screening, cytotoxicity and a check for its purity.

Small molecules can potentially bind to a variety of bimolecular targets and whilst counter-screening against a wide variety of targets is feasible it can be rather expensive and probably only realistic for when a compound has been identified as of particular interest. For this reason there is considerable interest in building computational models to predict potential interactions. With the advent of large data sets of well annotated biological activity such as ChEMBL and BindingDB this has become possible.

These predictions may aid understanding of molecular mechanisms underlying the molecules bioactivity and predicting potential side effects or cross-reactivity.

A variety of options are summarised on this page.

Having worked wit Selcia on a number of projects I always keep an eye out for news on their work on Peptidyl-Prolyl cis-trans Isomerases (PPIase). These are very interesting class of enzymes whose principal function is to catalyse the cis-trans isomerisation of the X-Pro peptide bonds in polypeptide chains (where X is any amino acid). This transformation is thought to be a mechanism to modulate protein function.

PPIase enzyme targets are of increasing interest in drug discovery due to the extensive potential of small molecule inhibitors in a range of therapeutic areas, including infection, inflammation, cancer and neuroprotection.

Selcia have now expanded the range of Peptidyl-Prolyl cis-trans Isomerase (PPIase) assays they can offer.

The Open Source Malaria group are running a competition to develop a computational model that predicts which molecules will block the malaria parasite's ion pump, PfATP4.

PfATP4 is an important target for the development of new drugs for malaria. We are providing a dataset of actives and inactives. The challenge is to use the data to develop a model that allows us to (better) design compounds that will be active against that target.

The competition will close on 31st March 2017.

The details of the competition can be found here https://github.com/OpenSourceMalaria/OSMToDo_List/issues/421 and the video below gives more information

There is a Jupyter notebook that can be used to to access the information here http://www.macinchem.org/reviews/osm/osmipython.php or you can access the information in this google document https://docs.google.com/spreadsheets/d/1Rvy6OiM291d1GNcyT6eSwC3lSuJ1jaR7AJa8hgGsc/edit#gid=510297618, but remember the competition is a predictive model for series 4 only.

More details on Open Source Malaria

28th symposium on Medicinal Chemistry in Eastern England, Thursday 27th April 2017, The Fielder Centre, Hatfield, Hertfordshire, UK
Organised by RSC-BMCS (Royal Society of Chemistry – Biological and Medicinal Chemistry Sector)

More details

Programme

09.00 Registration, refreshments and exhibition
Session chair: Adrian Hall, UCB
09.30 Opening remarks
Nicole Hamblin, GlaxoSmithKline
09.35 From phenotypic hit to a validated target for tuberculosis
Robert Bates, GlaxoSmithKline
10.10 Discovery of potent inhibitors of the lysophospholipase autotaxin
Prit Shah, Cancer Research Technology
10.45 Refreshments and exhibition
11.15 Development of Tesirine: a clinical antibody-drug conjugate pyrrolobenzodiazepine payload: medicinal chemistry at the frontier between small molecules and biologics
Arnaud Tiberghien, Spirogen
11.50 NMR conformational analysis in molecular design – case studies and impact
Martin Packer, AstraZeneca
12.25 Highly potent cell-penetrant inhibitors of the KEAP1-NRF2 protein-protein interaction via X-ray fragment screening
Charlotte Griffiths-Jones, Astex Pharmaceuticals
13.00 Lunch and exhibition


Session Chair: Simon Ward, University of Sussex
14:05 Selective on-target chemical probes of protein-protein interactions
Alessio Ciulli, University of Dundee
14.40 Solid state studies of a preclinical candidate in a CRO environment: the importance of de-risking early
Russell Scammell, Charles River
15.15 Refreshments and exhibition
15.45 Drug discovery case study
Tom Miller, Shire
16.20 Optimisation of a series of novel smoothened inhibitors
Matilda Bingham, RedX
16.55 Concluding remarks
17.00 Close

I've been a tutor at the RSC MedChem School on a number of occasions and I can say this is an excellent opportunity for scientists new to drug discovery to benefit from an understanding of all aspects of the drug discovery process, from target and hit identification, through ADME and computational chemistry, to patents and safety studies.

The 2017 Medicinal Chemistry Residential School takes place 11 - 16 June, Loughborough UK, it is always very popular so well worth signing up early.

The 2017 Residential School will take place over 5 days and content is delivered by experts in the field from industry and academia. The programme includes lectures focusing on the fundamental principles of drug discovery, hands-on tutorials allowing delegates to put into practice what they have learnt and case histories from previous drug discovery projects. The programme will also include an evening lecture from a distinguished speaker. Throughout the week course tutors and speakers will be available for informal discussion and there will be plenty of opportunities to network with the broad range of academic and industrial researchers in attendance.

I've added SkinSensDB to the Drug Discovery Resources page covering Chemistry and Biology Databases.

Skin sensitization is an important toxicological endpoint for chemical hazard determination and safety assessment….SkinSensDB has been constructed by curating data from published AOP-related assays. In addition to providing datasets for developing computational models, SkinSensDB is equipped with browsing and search tools which enable the assessment of new compounds for their skin sensitization potentials based on data from structurally similar compounds.

SkinSensDB: a curated database for skin sensitization assays DOI.

Fragment-based screening is now a well established methodology for the identification of leads for drug discovery and the aim of the 6th RSC-BMCS Fragment-based Drug Discovery meeting will be to continue the focus on case studies in Fragment-based Drug Discovery that have delivered compounds to late stage medicinal chemistry, preclinical or clinical programmes.

6th RSC-BMCS Fragment-based Drug Discovery meeting
Sunday to Tuesday, 5th to 7th March 2017
at Parkhotel Schönbrunn, Vienna, Austria

Full details and registration are online.

I know many groups in the UK have projects funded under Wellcome Trust (WT) "Seeding Drug Discovery" funding program, this program has been running successfully for many years but it was recently announced that there was to be a review of the WT funding activities. The results of the review are now available on the website http://dmtrk.net/2PXJ-E0XO-23KRZ4WBE/cr.aspx.

Key points are:-

In February 2017 Wellcome will be launching ‘Innovator Awards’ for proposals of up to £500k. One of the aims of this scheme will be to encourage people that do not currently work with us to apply - including translators and innovators from outside of the life and medical science community. We think this is important because new technology has the potential to transform biomedical science, as well as have significant applications to health.

We believe that in order to achieve greater impact on human health - we also need to focus on a smaller number of activities - something that we refer to as Flagships. An example of an existing Flagship is the Hilleman Laboratories – an R&D facility in New Delhi, dedicated to generating new vaccines. This is a joint venture between Wellcome and Merck, USA. We also consider our recently announced Wellcome Centres at Kings College, Dundee University and UCL as Flagships.

We will remain open to great ideas in any area. In our first year much of our support will focus on ideas and solutions involving mental health, neurological disorders and neglected tropical diseases, but these are not exclusive and other areas of particular interest will be announced in the future.

I have to say I delighted to see the focus on mental health and neglected tropical diseases, areas which I've tried to support.

I've completed a few updates to the Drug Discovery Resources website, this includes fixing any broken links that people have mentioned to me, and also starting a new section in the Pre-clinical toxicity on Mutagenicity.

The reproducibility of some target identification/validation studies has been questioned on several occasions and I've flagged up some of the concerns in the Target Validation section of the Drug Discovery Resources. A recent study, reported in Science 28 August 2015: Vol. 349 no. 6251 DOI looking at psychological science, attempted to replicate published work suggests that 39% of effects replicated the original result. Also Amgen, tried to replicate 53 'landmark' cancer studies and failed to replicate the original studies in all but six occasions, Nature 483, 531–533 (29 March 2012) DOI.

A while back a project was initiated to look at reproducibility in cancer, Science Forum: An open investigation of the reproducibility of cancer biology research DOI.

It is widely believed that research that builds upon previously published findings has reproduced the original work. However, it is rare for researchers to perform or publish direct replications of existing results. The Reproducibility Project: Cancer Biology is an open investigation of reproducibility in preclinical cancer biology research. We have identified 50 high impact cancer biology articles published in the period 2010-2012, and plan to replicate a subset of experimental results from each article. A Registered Report detailing the proposed experimental designs and protocols for each subset of experiments will be peer reviewed and published prior to data collection. The results of these experiments will then be published in a Replication Study. The resulting open methodology and dataset will provide evidence about the reproducibility of high-impact results, and an opportunity to identify predictors of reproducibility.

Well some of the early results are in and they make for pretty sobering if not unexpected reading, of the first 7 papers examined, 2 appear to reproduce the original finding to some extent, three show significant differences from the original studies. The results are published in eLife here and there is an editorial here DOI, and they make an important point.

if all the original studies were reproducible, not all of them would be found to be reproducible, just based on chance. The experiments in the Reproducibility Project are typically powered to have an 80% probability of reproducing something that is true.

The key question is of course, is the failure to reproduce these results due to methodological differences not apparent from the described experimental or whether the fundamental result is invalid. At the moment if you are planning to invest in a drug discovery project based on a single publication then Caveat emptor.

The Gates foundation's policy on open access publishing became enforced from Jan 1st 2017 and so all research from Gates funded projects can only by published in Open Access journals.

The details of the policy are available online

In particular

• Publications Are Discoverable and Accessible Online. Publications will be deposited in a specified repository(s) with proper tagging of metadata.

• Publication Will Be On “Open Access” Terms. All publications shall be published under the Creative Commons Attribution 4.0 Generic License (CC BY 4.0) or an equivalent license. This will permit all users of the publication to copy and redistribute the material in any medium or format and transform and build upon the material, including for any purpose (including commercial) without further permission or fees being required.

The NIH insists that publications must be made freely available 12 months after publication, Wellcome Trust, also mandates OA publishing, but its policy permits a six-month embargo on making published papers open. CRUK currently encourage, and where an article processing charge is paid, require, license research papers using the Creative Commons Attribution licence (CC-BY). The research councils in the UK have also committed to Open Access publishing as do DNDI.

With charitable funding playing an increasingly important role in drug discovery complying with these Open Access requirements is likely to have a significant impact on the publication landscape.

I've worked with a couple of academic groups who have a very interesting target but no small molecule leads. Whilst there are several places offering high-throughput screening the stumbling block is often development of a robust screening assay running in a high density format. Most academic groups have little experience in developing such an assay and to be honest will need to do so very infrequently.

The SULSA Assay Development Fund: accelerating translation of new biology from academia to pharma DOI describes efforts to support the development of such assays, work carried out in collaboration with the European Lead Factory in Newhouse.

However, many scientifically interesting, novel molecular targets lack associated high-quality, robust assays suitable for hit finding and development. To bridge this gap, the Scottish Universities Life Sciences Alliance (SULSA) established a fund to develop assays to meet quality criteria such as those of the European Lead Factory. A diverse project portfolio was quickly assembled, and a review of the learnings and successful outcomes showed this fund as a new highly cost-effective model for leveraging significant follow-on resources, training early-career scientists and establishing a culture of translational drug discovery in the academic community.

European Lead Factory technical acceptance criteria

• Minimally 384 wells (max 30 μl)
• Homogenous assay (no washing steps)
• Defined endpoint
• Z-prime >0.6
• Readout stability >1 h
• S/B signal >3
• Incubation times <4 h
• DMSO tolerance: minimum 0.5%
• All reagents minimally 8 h stable
• Recombinant proteins(s) >80% pure

Perhaps this quote sums things up very nicely.

‘We only got so far in optimising our assay because in my opinion we do not have either the equipment or the personnel with the skill set required to do this efficiently. So being able to come and work at Newhouse where you are then surrounded by people who can identify quickly where assay improvements should be made and then pass on the knowledge of how to set about applying these changes (as well as gaining experience with various pieces of equipment) was invaluable.’

More details are available here http://www.sulsa.ac.uk/sites/sbsweb2.bio.ed.ac.uk.sulsa/files/downloads/SULSAassaydevelopmentfundguidancenotes4.pdf

The Wellcome Trust also provides Seed/Pathfinder awards that could cover similar projects.