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Cambridge MedChem Consulting

MMV call for proposals

MMV welcomes proposals in the following three areas

1. Compounds addressing the key priorities of the malaria eradication agenda

Novel families of molecules in the hit-to-lead or lead optimization stages are sought without G6PD deficiency liabilities that either:

  • Kill or reactivate hypnozoites for use as part of a P. vivax radical cure; or
  • Have activity against sexual stage V gametocytes and evidence of transmission blocking in SMFA.

2. Compounds with activity against asexual liver and/or blood stages

Novel chemical series with EC50<500nM and which have one or more of the following key features:

  • A known, novel mechanism of action;
  • An inability to select resistant mutants in vitro;
  • Activity at more than one life-cycle stage;
  • A long half-life (ideally >4h in rodents) and confirmed in vivo efficacy.
  • For advanced series, we are seeking novel compounds with, ideally, a predicted human half-life >100h and a predicted oral single human dose <500mg or an i.m. dose that can be administered in <1mL and sufficient for up to 3 months’ protection in humans.

3. Novel approaches for screening

  • To help identify new phenotypic and/ or target based hits, as well as confirm activity of MMV compounds on all human malaria asexual blood stages, new screening proposals are sought .

Open Source Malaria, what to make next

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.

Malaria Disease Primer

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

4Q2016_Global_Portfolio.001

Open Source Malaria Molecules

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
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OSM-S-117 (DUPLICATE OF OSM-S-64),,,,,,
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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,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

ChEMBL_23 released

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).

Open Source Malaria Competition

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

Open Source Malaria Webinar recording

OSM-logo@2x

A webinar describing the work undertaken by the Open Source Malaria Consortium was held on 24th May and a recording of the meeting is now available.

The meeting lasted around 1 hour and be viewed online here

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.

The questions raised in the webinar are highlighted as “Meeting Discussion Points” on the github page. Please feel free to join in the discussions.


Open Source Malaria online meeting

The next strategy meeting for the Open Source Malaria team is on May 24th. This is great chance to find out more about this effort and to look for opportunities where you might be able to contribute

Outline agenda:

  • Project background & scientific objectives (5)
  • Overview of project information sources - ie what's where (5)
  • Data sources & summary of analyses (5-10)
  • SAR overview, questions for the audience (20)
  • Discussion (10-15)
  • Final guidance on what's required from the audience & how to submit your suggestions & what happens next (5)

Pasted Graphic

You can register here https://attendee.gotowebinar.com/register/7722880987090170883 - you need to register in order to receive the link for the meeting itself. Please forward this on to anyone you think might be interested,

Medicines for Malaria Venture 14th call for proposals

MMV have just announced a call for proposals in the following three areas:

  1. Compounds addressing the key priorities of the malaria eradication agenda. Novel families of molecules in the hit-to-lead or lead optimization stages are sought without G6PD deficiency liabilities that either kill or reactivate hypnozoites for use as part of a P. vivax radical cure; or have dual activity against asexual and sexual stages (gametocytes) for treatment and transmission blocking.

  2. Asexual liver and blood stages. Novel chemical series with EC50<500nM and which have one or more of the following key features: A novel mechanism of action A long half-life (ideally >4h in rodents) and confirmed in vivo efficacy. For advanced series, we are seeking novel compounds with, ideally, a predicted human half-life >100h and a predicted single human dose <500mg or three day human dose of <50 mg.

  3. Novel approaches for screening. To help identify new phenotypic and/ or target based hits, as well as confirm activity of MMV compounds on all human malaria asexual blood stages, new screening proposals are sought.

They have also published Target product profiles & target candidate profiles.

Setting up Cheminformatics Support for the Open Source Malaria Project

Here are the slides for a talk I gave at the Cambridge Cheminformatics Network Meeting in August. Setting up Cheminformatics Support for the Open Source Malaria Project

ODDT Publication

There is a paper describing ODDT Open Drug Discovery Teams app.

Investigators of rare and neglected diseases can access some of the latest research in the field, plus data about the disorders themselves, through a recently launched free app for Apple devices.

ODDT Released

Open Drug Discovery Teams (ODDT) is now available on the iTunes Store.

The idea behind ODDT is that there are many rare of neglected diseases that might benefit from collaborative efforts from scientists from multiple disciplines, ODDT is an application that supports informal interactions, provides a means to explore relevant information in a flipboard like interface in particular information tagged by other scientists with similar interests. The image below gives you an idea of the topics currently discussed.

oddt

This slideshow explains the genesis of the project, and how it has evolved.




So why not fire up iTunes and download the free app and get involved?

Biology and Pathology of the Malaria Parasite, 14 - 16 May 2012

Registration and abstract deadlines will be closing on 1st March 2012
Pleae note that registration without abstract submission is also possible.

Conference website: www.embl.de/training/events/2012/BMP12-01

Venue: EMBL Advanced Training Centre, Heidelberg, Germany

This annual conference will bring together malaria researchers from Europe and overseas in order to present and share recent groundbreaking findings on fundamental malaria research.

Topics covered include: - Immunobiology and Pathophysiology - Parasite Molecular and Cell Biology - Vector Parasite Interactions - Modelling and Systems Biology We also invite you to register for a two and a half day workshop designed to provide you with training in effective use of several online resources relevant for Plasmodium research, including: - GeneDB (http://GeneDB.org) - PlasmoDB (http://PlasmoDB.org) - VectorBase (http://VectorBase.org) The workshop will start at 9am on Saturday May 12th and run until Monday May 14th. You are welcome to circulate this announcement to interested members and groups within your institute.

We look forward to welcoming you in Heidelberg, Germany.

Matthew Berriman, Wellcome Trust Sanger Institute, United Kingdom Peter Bull, KEMRI Wellcome Trust, United Kingdom Flaminia Catteruccia, University of Perugia, Italy Lisa Ranford-Cartwright, University of Glasgow, United Kingdom Till Voss, Swiss Tropical and Public Health Institute / University of Basel, Switzerland

If you have any questions, please do not hesitate to contact Tim Nuernberger. Email: tim.nuernberger@embl.de European Molecular Biology Laboratory

Malaria HTS results

Recently two groups have reported the results of screening campaigns, GlaxoSmithKline (GSK) published ( doi:10.1038/nature09107 ) the results of screening nearly 2 million compounds from their chemical library for inhibitors of P. falciparum, of which 13,533 were confirmed to inhibit parasite growth by at least 80% at 2 uM. The chemical structures and associated data were made public to encourage additional drug lead identification efforts and further research into this disease. In a second paper ( doi:10.1038/nature09099 ) a library containing 309,474 unique compounds, “designed at the scaffold level to provide diverse, comprehensive coverage of bioactive space”, was screened against Plasmodium falciparum strain 3D7 at a fixed concentration of 7 uM and afforded 1536 hits.

I thought I'd contribute to this generous effort by calculating a number of descriptors and properties for the molecules and then cluster the molecules in a variety of ways to help analysis and provide the data for download. You can read about it here.