The following sheet is mirrored from the editable Google Doc OSA_000001 target: MurD, smilesparent: CN1CCN(CC1)c1ccc(cc1)C#N, name: 4-(4-methylpiperazin-1-yl)benzonitrile, inchikey: ZSDPKKGOSKXEHN-UHFFFAOYSA-N, vendoridlabnotebookid: Z2856434840, mwparent: 201.27, fragalysisref: MURD-x0349, source: FragLibrary, status: In Library, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-fragment-screen, zinc: ZINC000000236863, emolecules: 859595, ibmip: 261DF2DE2905A04D3FC95058666494DD, surechemblpatents: SCHEMBL151261, pubchem: 763205, mcule: MCULE-3957797171, molport: MolPort-000-894-567, japanesechemicals: J1.186.427I, comptox: DTXSID30354088 OSA_000002 target: MurD, smilesparent: CN1CCN(CC1)C(=O)NC1=CC=C(F)C=C1, name: N-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide, inchikey: MDBPFVSVLGYVCQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z2856434944, mwparent: 237.28, fragalysisref: MURD-x0373, source: FragLibrary, status: In Library, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-fragment-screen, pdbligand: AWD, zinc: ZINC000000386890, emolecules: 1467788, ibmip: C75AA6C64E59D4D569D5A305E87650A6, surechemblpatents: SCHEMBL10053027, pubchem: 851986, mcule: MCULE-1085231672, molport: MolPort-001-889-175, japanesechemicals: J153.485H OSA_000003 target: MurD, smilesparent: CC(CO)(CO)NC(=O)Nc1ccccc1, name: 3-(1,3-dihydroxy-2-methylpropan-2-yl)-1-phenylurea, inchikey: NLGYHTMGWVQQIL-UHFFFAOYSA-N, vendoridlabnotebookid: Z57472297, mwparent: 224.26, fragalysisref: MURD-x0374, source: FragLibrary, status: In Library, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-fragment-screen, pdbligand: AYV, zinc: ZINC000000408628, emolecules: 659431, pubchem: 4056614, mcule: MCULE-1218000011 OSA_000004 target: MurD, smilesparent: CC(C)C(=O)Nc1cccc(c1)C#N, name: N-(3-cyanophenyl)-2-methylpropanamide, inchikey: JWBISRKEEZGPFB-UHFFFAOYSA-N, vendoridlabnotebookid: Z26548083, mwparent: 188.23, fragalysisref: MURD-x0378, source: FragLibrary, status: In Library, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-fragment-screen, zinc: ZINC000009254030, emolecules: 31406591, ibmip: BFF73936E3D5C2A2195B9E9EB364CAA2, surechemblpatents: SCHEMBL4599032, pubchem: 16383207, mcule: MCULE-2084722473, molport: MolPort-004-354-760 OSA_000005 target: MurE, smilesparent: O=S1(CCN(CC1)Cc2ccc(C)cc2)=O, name: 4-(4-methylbenzyl)thiomorpholine 1,1-dioxide, inchikey: PBEMXBVPRZGFNM-UHFFFAOYSA-N, vendoridlabnotebookid: Z2856434929, mwparent: 239.33, fragalysisref: MUREECA-x0198_3, source: FragLibrary, status: In Library, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurE-fragment-screen, chembl: CHEMBL1419545, pdbligand: LVV, zinc: ZINC000059601259, emolecules: 4863519, surechemblpatents: SCHEMBL10196835, pubchem: 2815708, mcule: MCULE-6099314588, molport: MolPort-002-855-305 OSA_000006 target: MurE, smilesparent: O=S1(CCN(CC1)Cc2ccco2)=O, name: 4-(2-Furylmethyl)-1lambda6,4-thiazinane-1,1-dione, inchikey: AEOGPIJVSQTAII-UHFFFAOYSA-N, vendoridlabnotebookid: Z2856434926, mwparent: 215.27, fragalysisref: MUREECA-x0114_1, source: FragLibrary, status: In Library, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurE-fragment-screen, pdbligand: O3D, zinc: ZINC000019851827, emolecules: 923858, ibmip: AFEDA15C5EB72FA27EEA3885AF6F56F2, surechemblpatents: SCHEMBL10256874, pubchem: 318460, mcule: MCULE-8843825111, toxicologyresource: 79206-94-3, molport: MolPort-000-144-302, comptox: DTXSID70312460 OSA_000007 target: MurE, smilesparent: OC1CC(C1)N(c2cc(C)nc(C)n2)C, name: 3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol, inchikey: SEZOHQAJJCEOMQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1675346324, mwparent: 207.28, fragalysisref: MUREECA-x0206_1, source: FragLibrary, status: In Library, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurE-fragment-screen, zinc: ZINC000097115406, pubchem: 75506056, mcule: MCULE-7448739255, molport: MolPort-029-919-493 OSA_000008 target: MurE, smilesparent: CC1=NN=C(S1)N2CCCCC2, name: 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine, inchikey: IIDJDXATFNHHGO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1251207602, mwparent: 183.27, fragalysisref: MUREECA-x0209_1, source: FragLibrary, status: In Library, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurE-fragment-screen, zinc: ZINC000084291760, surechemblpatents: SCHEMBL14479660, pubchem: 86769314, mcule: MCULE-1571979676, molport: MolPort-027-708-185 OSA_000009 target: MurE, smilesparent: O=S(C1=CC=C(C)C=C1)(NCCN2CCOCC2)=O, name: 4-methyl-N-(2-morpholinoethyl)benzenesulfonamide, inchikey: CLFKGZNVORYRJW-UHFFFAOYSA-N, vendoridlabnotebookid: FI50-1, mwparent: 284.38, chembl: CHEMBL1607151, zinc: ZINC000019211911, emolecules: 1251303, ibmip: 865DB99B63F3CD4D038FA3AED397B900, surechemblpatents: SCHEMBL12302133, pubchem: 567713, mcule: MCULE-7662234610, molport: MolPort-001-620-423, japanesechemicals: J1.018.106B, bindingdb: 66308, comptox: DTXSID00340812 OSA_000010 target: MurE, smilesparent: O=C(N1CCN(CC1)C(OC(C)(C)C)=O)C2=CC=CC=C2, name: tert-butyl 4-benzoylpiperazine-1-carboxylate, inchikey: YOZLBJXUJHNUOW-UHFFFAOYSA-N, vendoridlabnotebookid: FI51-1, mwparent: 290.36, zinc: ZINC000041115302, ibmip: 7FBA44172754ED61395554F34DBB2468, surechemblpatents: SCHEMBL1374093, pubchem: 18519756, mcule: MCULE-1223504886, molport: MolPort-008-887-901 OSA_000011 target: MurE, smilesparent: O=C(N1CCSCC1)C2=CC=CC=C2, name: phenyl(thiomorpholino)methanone, inchikey: GORHULGOZTYQCK-UHFFFAOYSA-N, vendoridlabnotebookid: FI52-1, mwparent: 207.3, zinc: ZINC000039240866, emolecules: 31988670, ibmip: 31202A722C9F2A1387FA201D9A55E743, surechemblpatents: SCHEMBL947052, pubchem: 12517841, mcule: MCULE-7153515798, molport: MolPort-009-555-461 OSA_000012 target: MurE, smilesparent: O=C(N1CCOCC1)C2=CC=CC=C2, name: morpholino(phenyl)methanone, inchikey: FLCWYEUDIOQXEB-UHFFFAOYSA-N, vendoridlabnotebookid: FI53-1, mwparent: 191.23, zinc: ZINC000000110505, emolecules: 946661, ibmip: D0A11D3C46A084DD3F908DDC7EE1587F, surechemblpatents: SCHEMBL946143, thomsonpharma: 14818621, pubchem: 15114, mcule: MCULE-7238181328, toxicologyresource: 1468-28-6, molport: MolPort-001-011-506, japanesechemicals: J13.037K, comptox: DTXSID7074533 OSA_000013 target: MurE, smilesparent: O=C(N1CCCCC1)C2=CC=CC=C2, name: phenyl(piperidin-1-yl)methanone, inchikey: YXTROGRGRSPWKL-UHFFFAOYSA-N, vendoridlabnotebookid: FI54-1B, mwparent: 189.26, chembl: CHEMBL1897277, pdbligand: 0OL, zinc: ZINC000000142626, emolecules: 890258, ibmip: 4A6755B2BC2F278D9E44B911EECE0B99, nfdasubstance: B678L9IQ0Y, surechemblpatents: SCHEMBL243236, thomsonpharma: 15291709, pubchem: 69892, mcule: MCULE-4239571109, toxicologyresource: 776-75-0, molport: MolPort-000-564-462, japanesechemicals: J9.677F, comptox: DTXSID80228265, brenda: 78359, chemicalbook: CB2175852 OSA_000014 target: MurE, smilesparent: C1(CN2CCSCC2)=CC=CC=C1, name: 4-benzylthiomorpholine, inchikey: OYLTYHXSZIVBOZ-UHFFFAOYSA-N, vendoridlabnotebookid: FI55-1, mwparent: 193.31, zinc: ZINC000004977451, emolecules: 2056436, ibmip: 1B165F0DD37E92B6CA462D3DF1D36B6F, surechemblpatents: SCHEMBL612959, pubchem: 791137, mcule: MCULE-5305192051, molport: MolPort-002-083-896, japanesechemicals: J389.598J OSA_000015 target: MurE, smilesparent: C1(CN2CCCCC2)=CC=CC=C1, name: 1-benzylpiperidine, inchikey: NZVZVGPYTICZBZ-UHFFFAOYSA-N, vendoridlabnotebookid: FI56-1, mwparent: 175.27, chembl: CHEMBL1195764, zinc: ZINC000001681427, emolecules: 891867, ibmip: AD21C00CED6B4C7EF94DB34E160C9F12, nfdasubstance: 7HZE16210B, surechemblpatents: SCHEMBL26532, thomsonpharma: 15291669, pubchem: 76190, mcule: MCULE-2418284990, toxicologyresource: 2905-56-8, molport: MolPort-001-738-539, japanesechemicals: J80.591B, comptox: DTXSID80183289, chemicalbook: CB6120542 OSA_000016 target: MurE, smilesparent: C1(CN2CCOCC2)=CC=CC=C1, name: 4-benzylmorpholine, inchikey: GVWBJJLCTWNTRU-UHFFFAOYSA-N, vendoridlabnotebookid: FI57-1, mwparent: 177.25, chembl: CHEMBL2220547, zinc: ZINC000019642328, ibmip: 41D83C50FBCA5F2D27EC1F6EC987CB2D, surechemblpatents: SCHEMBL102338, thomsonpharma: 16154638, pubchem: 249546, mcule: MCULE-1736919294, toxicologyresource: 110865-83-3, molport: MolPort-001-826-752, japanesechemicals: J472.305H, comptox: DTXSID90290317, chemicalbook: CB61258066 OSA_000017 target: MurE, smilesparent: CC(OC(N(CC1)CCN1CC2=CC=CC=C2)=O)(C)C, name: tert-butyl 4-benzylpiperazine-1-carboxylate, inchikey: GVHSMUYEAWMYLM-UHFFFAOYSA-N, vendoridlabnotebookid: FI58-1, mwparent: 276.38, zinc: ZINC000019721759, emolecules: 502475, ibmip: DCFEFEBFAED68A5E55D1E0C3D07B720A, surechemblpatents: SCHEMBL2862442, thomsonpharma: 16559787, pubchem: 584330, mcule: MCULE-9114193708, molport: MolPort-001-813-187, japanesechemicals: J2.154.305E, comptox: DTXSID20342772, chemicalbook: CB1139932 OSA_000018 target: MurE, smilesparent: O=S(C1=CC=C(C)C=C1)(N2CCS(CC2)(=O)=O)=O, name: 4-tosylthiomorpholine 1,1-dioxide, inchikey: IZBQAIYBRSLTGP-UHFFFAOYSA-N, vendoridlabnotebookid: FI59-1, mwparent: 289.38, zinc: ZINC000000990978, pubchem: 1217000, mcule: MCULE-6765194098 OSA_000019 target: MurE, smilesparent: O=S(CCN1CC2=NC=CC=C2)(CC1)=O, name: 4-(pyridin-2-ylmethyl)thiomorpholine 1,1-dioxide, inchikey: QSMZTYDRYNBYDC-UHFFFAOYSA-N, vendoridlabnotebookid: FI60-1, mwparent: 226.3, chembl: CHEMBL1334397, zinc: ZINC000057677586, emolecules: 36799826, pubchem: 318461, mcule: MCULE-7633084896, molport: MolPort-002-857-776 OSA_000020 target: MurE, smilesparent: BrC1=CC=C(CN2CCS(CC2)(=O)=O)C=C1, name: 4-(4-bromobenzyl)thiomorpholine 1,1-dioxide, inchikey: KSSKLCBHWXGCIQ-UHFFFAOYSA-N, vendoridlabnotebookid: FI61-1A, mwparent: 304.21, emolecules: 36647300, ibmip: 9A919D70A2EB75E26C1B9BC5C315D9AF, surechemblpatents: SCHEMBL1427500, pubchem: 52325468, mcule: MCULE-4915652791 OSA_000021 target: MurE, smilesparent: OC(CC1)CCN1CC2=CC=C(C)C=C2, name: 1-(4-methylbenzyl)piperidin-4-ol, inchikey: MXSYUHKGZVDCLL-UHFFFAOYSA-N, vendoridlabnotebookid: FI62-1, mwparent: 205.3, zinc: ZINC000004977812, emolecules: 2056876, ibmip: 605D1EAC243284BE0AF30F60EF94A950, surechemblpatents: SCHEMBL4700996, thomsonpharma: 16948043, pubchem: 791482, mcule: MCULE-2703982256, molport: MolPort-002-140-661 OSA_000022 target: MurE, smilesparent: O=C(N1CCS(CC1)(=O)=O)C2=CC=CO2, name: (1,1-dioxidothiomorpholino)(furan-2-yl)methanone, inchikey: BURYTZVEXZFEQY-UHFFFAOYSA-N, vendoridlabnotebookid: FI65-1, mwparent: 229.25, pubchem: 63081194 OSA_000023 target: MurE, smilesparent: O=S(CCN1CC2=CC=NC=C2)(CC1)=O, name: 4-(pyridin-3-ylmethyl)thiomorpholine 1,1-dioxide, inchikey: ZMYHSYOBEWRFEU-UHFFFAOYSA-N, vendoridlabnotebookid: FI66-1, mwparent: 226.3, chembl: CHEMBL2143990, zinc: ZINC000031740759, pubchem: 318463 OSA_000024 target: MurE, smilesparent: O=C(N1CCS(CC1)(=O)=O)C2=CC=CC=C2, name: (1,1-dioxidothiomorpholino)(phenyl)methanone, inchikey: MEODKAVQHYLYLD-UHFFFAOYSA-N, vendoridlabnotebookid: FI69-1, mwparent: 239.29, ibmip: 8806DD2F46E5FFCCF44B05891F2539B5, surechemblpatents: SCHEMBL2616939, pubchem: 58851770, mcule: MCULE-9224609732 OSA_000025 target: MurE, smilesparent: O=C(CC1)CCN1CC2=CC=C(C)C=C2, name: 1-(4-methylbenzyl)piperidin-4-one, inchikey: HCANSJOGHLDHGO-UHFFFAOYSA-N, vendoridlabnotebookid: FI70-2, mwparent: 203.28, zinc: ZINC000019427685, emolecules: 36516993, ibmip: 67D4B7B2E6A95ED918B268D734294848, surechemblpatents: SCHEMBL4703106, thomsonpharma: 17417842, pubchem: 11959541, mcule: MCULE-2217194206, molport: MolPort-004-329-573 OSA_000026 target: MurE, smilesparent: CC1=CC=C(CN2CCC(C=CC=C3)=C3C2)C=C1, name: 2-(4-methylbenzyl)-1,2,3,4-tetrahydroisoquinoline, inchikey: WTMGISMFFAUECA-UHFFFAOYSA-N, vendoridlabnotebookid: FI72-1, mwparent: 237.34, emolecules: 4277845, ibmip: 97727BDC72D51DE86C77320886412670, surechemblpatents: SCHEMBL13302138, pubchem: 4006793, mcule: MCULE-5628166598 OSA_000027 target: MurE, smilesparent: CN(CC1=CC=CC=C1)CC2=CC=C(C)C=C2, name: N-benzyl-N-methyl-1-(p-tolyl)methanamine, inchikey: RYSNNTUJVGIRAL-UHFFFAOYSA-N, vendoridlabnotebookid: FI73-1, mwparent: 225.33, ibmip: 438C17F9EBAEC5593C8209FD85501C23, surechemblpatents: SCHEMBL10194246, pubchem: 23522977 OSA_000028 target: MurE, smilesparent: O=C(N1CCSCC1)C2=CC=CO2, name: Furan-2-yl(thiomorpholino)methanone, inchikey: NLZGZUVTOHQCQF-UHFFFAOYSA-N, vendoridlabnotebookid: FI81-1, mwparent: 197.26, zinc: ZINC000000140261, emolecules: 5804743, surechemblpatents: SCHEMBL7255393, pubchem: 2804982, mcule: MCULE-7934003273, molport: MolPort-002-896-206 OSA_000029 target: MurE, smilesparent: OCCCN(CC1)CCN1CC2=CC=C(C)C=C2, name: 3-(4-(4-methylbenzyl)piperazin-1-yl)propan-1-ol​, inchikey: GGJBIAKNYHPIJS-UHFFFAOYSA-N, vendoridlabnotebookid: FI82-1, mwparent: 248.37, zinc: ZINC000034122269, ibmip: D7E3F4227E0738267D1291D58F5CD347, surechemblpatents: SCHEMBL11159078, pubchem: 13676660 OSA_000030 target: MurE, smilesparent: O=S(CCN1CC2=CC=C(C#N)C=C2)(CC1)=O, name: 4-((1,1-Dioxidothiomorpholino)methyl)benzonitrile, inchikey: HTTKRCYSMHMVGW-UHFFFAOYSA-N, vendoridlabnotebookid: FI83-1, mwparent: 250.32, pubchem: 43581444 OSA_000031 target: MurE, smilesparent: O=S(CCN1CC2=CC3=C(C=C2)C=CC=C3)(CC1)=O, name: 4-(Naphthalen-2-ylmethyl)thiomorpholine 1,1-dioxide, inchikey: MEJAOJCHWUJRDN-UHFFFAOYSA-N, vendoridlabnotebookid: FI84-1, mwparent: 275.37, mcule: MCULE-4533808664 OSA_000032 target: MurE, smilesparent: O=S(CCN1CC2=CC=C(SC)C=C2)(CC1)=O, name: 4-(4-(Methylthio)benzyl)thiomorpholine 1,1-dioxide, inchikey: LXJFBMHKHCXMPM-UHFFFAOYSA-N, vendoridlabnotebookid: FI85-1, mwparent: 271.4 OSA_000033 target: MurE, smilesparent: O=S(C1=CC=C(C)C=C1)(N2CCSCC2)=O, name: 4-Tosylthiomorpholine, inchikey: VYFSCNGFRNWCEG-UHFFFAOYSA-N, vendoridlabnotebookid: FI86-1, mwparent: 257.38, zinc: ZINC000000405430, ibmip: EDF84FE0FD17968448DCE99E7CCE427D, surechemblpatents: SCHEMBL18410347, pubchem: 4068383, japanesechemicals: J2.778.195K OSA_000034 target: MurE, smilesparent: O=S(CCN1CC2=NC3=CC=CC=C3S2)(CC1)=O, name: 4-(Benzo[d]thiazol-2-ylmethyl)thiomorpholine 1,1-dioxide​, inchikey: IDRZIULQJVSAIB-UHFFFAOYSA-N, vendoridlabnotebookid: FI89-1, mwparent: 282.38, mcule: MCULE-5270812277 OSA_000035 target: MurE, smilesparent: O=C(N1CCS(CC1)(=O)=O)C2=NC3=CC=CC=C3C=C2, name: (1,1-Dioxidothiomorpholino)(quinolin-2-yl)methanone, inchikey: WRHGFKBELMDOAF-UHFFFAOYSA-N, vendoridlabnotebookid: FI90-1, mwparent: 290.34, zinc: ZINC000057795062, pubchem: 72024181, mcule: MCULE-6765365904, molport: MolPort-028-261-994 OSA_000036 target: MurE, smilesparent: O=C(NCCN1CCS(CC1)(=O)=O)C2=NC3=CC=CC=C3C=C2, name: N-(2-(1,1-dioxidothiomorpholino)ethyl)quinoline-2-carboxamide, inchikey: VHQLPOMIYXRGQY-UHFFFAOYSA-N, vendoridlabnotebookid: FI91-1, mwparent: 333.41, mcule: MCULE-1897421739 OSA_000037 target: MurE, smilesparent: O=S(C1=CC=C(C)C=C1)(NCCN2CCS(CC2)(=O)=O)=O, name: N-(2-(1,1-dioxidothiomorpholino)ethyl)-4-methylbenzenesulfonamide, inchikey: POVAPKFSGJFFNK-UHFFFAOYSA-N, vendoridlabnotebookid: FI92-1, mwparent: 332.44 OSA_000038 target: MurE, smilesparent: O=C(NCCN1CCS(CC1)(=O)=O)C2=CC=CO2, name: N-(2-(1,1-dioxidothiomorpholino)ethyl)furan-2-carboxamide, inchikey: LLPFDSHOXTYBIM-UHFFFAOYSA-N, vendoridlabnotebookid: FI93-2, mwparent: 272.32 OSA_000039 target: MurE, smilesparent: O=S(CCN1CCNCC2=NC3=CC=CC=C3S2)(CC1)=O, name: 4-(2-((Benzo[d]thiazol-2-ylmethyl)amino)ethyl)thiomorpholine 1,1-dioxide, inchikey: YVGQQXUGQMAFHP-UHFFFAOYSA-N, vendoridlabnotebookid: FI94-1, mwparent: 325.46 OSA_000040 target: MurE, smilesparent: O=C(N1CCN(CCCO)CC1)C2=CC=CO2, name: N-(2-(1,1-dioxidothiomorpholino)ethyl)furan-2-carboxamide, inchikey: CBFSZTGNVDMXDV-UHFFFAOYSA-N, vendoridlabnotebookid: FI95-1, mwparent: 238.29, pubchem: 82084062 OSA_000041 target: MurE, smilesparent: O=C(N1CCN(C2=CC=NC=C2)CC1)C3=CC=CO3, name: Furan-2-yl(4-(pyridin-4-yl)piperazin-1-yl)methanone, inchikey: ZRFMOXYOGTZOLP-UHFFFAOYSA-N, vendoridlabnotebookid: FI100-1, mwparent: 257.29, pubchem: 38027032 OSA_000042 target: MurE, smilesparent: CC(C=C1)=CC=C1CN2CCN(C3=CC=NC=C3)CC2, name: 1-(4-Methylbenzyl)-4-(pyridin-4-yl)piperazine, inchikey: DGHPKHVXHGXVAW-UHFFFAOYSA-N, vendoridlabnotebookid: FI101-1, mwparent: 267.38 OSA_000043 target: MurE, smilesparent: O=C(N1CCN(C2=NC=CC=C2)CC1)C3=CC=CO3, name: Furan-2-yl(4-(pyridin-2-yl)piperazin-1-yl)methanone, inchikey: VBQNUACMZREIDZ-UHFFFAOYSA-N, vendoridlabnotebookid: FI102-1, mwparent: 257.29, zinc: ZINC000018107576, emolecules: 1321370, pubchem: 759046, mcule: MCULE-5416539127, molport: MolPort-001-887-316 OSA_000044 target: MurE, smilesparent: CC(C=C1)=CC=C1CN2CCN(C3=NC=CC=C3)CC2, name: 1-(4-Methylbenzyl)-4-(pyridin-2-yl)piperazine, inchikey: GSBFBOGYLMYEFN-UHFFFAOYSA-N, vendoridlabnotebookid: FI103-1, mwparent: 267.38, zinc: ZINC000004977778, emolecules: 2251872, ibmip: 8AEB28309F8E0624E7DF2E9CA713EE16, pubchem: 791451, mcule: MCULE-3105892829, molport: MolPort-002-083-916 OSA_000045 target: MurE, smilesparent: ClC1=C(NC(CN2CCS(CC2)(=O)=O)=O)C=CC=C1Cl, name: N-(2,3-Dichlorophenyl)-2-(1,1-dioxidothiomorpholino)acetamide, inchikey: QYAFWNINMOSUSR-UHFFFAOYSA-N, vendoridlabnotebookid: FI104-1, mwparent: 337.23, pubchem: 52253581 OSA_000046 target: MurE, smilesparent: O=C(CN1CCS(CC1)(=O)=O)NC2=CC=CC=C2, name: 2-(1,1-Dioxidothiomorpholino)-N-phenylacetamide, inchikey: UJALKKBRMKVGRM-UHFFFAOYSA-N, vendoridlabnotebookid: FI105-1, mwparent: 268.34 OSA_000047 target: MurE, smilesparent: O=C(CN1CCS(CC1)(=O)=O)NC2=C(Cl)C=C(C(F)(F)F)C=C2, name: N-(2-Chloro-4-(trifluoromethyl)phenyl)-2-(1,1-dioxidothiomorpholino)acetamide, inchikey: LDCGAASQEHUKFB-UHFFFAOYSA-N, vendoridlabnotebookid: FI106-1, mwparent: 370.78 OSA_000048 target: MurE, smilesparent: O=C(CN1CCS(CC1)(=O)=O)NC2=CC=C(C(F)(F)F)C=C2, name: 2-(1,1-Dioxidothiomorpholino)-N-(4-(trifluoromethyl)phenyl)acetamide, inchikey: JJKPSPVXLLRKQG-UHFFFAOYSA-N, vendoridlabnotebookid: FI107-1, mwparent: 336.33 OSA_000049 target: MurE, smilesparent: CC1=NC(N2CCN(C)CC2)=CC(C)=N1, name: 2,4-dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine, inchikey: CVYCWJIKNIBAKR-UHFFFAOYSA-N, vendoridlabnotebookid: DMK1-012-01, mwparent: 206.29, zinc: ZINC000032908911, emolecules: 24019951, pubchem: 40145589, mcule: MCULE-7228620454, molport: MolPort-009-482-271, comptox: DTXSID30653886 OSA_000050 target: MurE, smilesparent: CC1=NC(N2CCCCC2)=CC(C)=N1, name: 2,4-dimethyl-6-(piperidin-1-yl)pyrimidine, inchikey: DNPRJYOOTGXBKE-UHFFFAOYSA-N, vendoridlabnotebookid: DMK1-014-02, mwparent: 191.28, zinc: ZINC000012016453, ibmip: 77A4BFB2356A130E49E42C083F0AF066, surechemblpatents: SCHEMBL5791348, pubchem: 16876764, mcule: MCULE-8415540753, molport: MolPort-005-703-685 OSA_000051 target: MurE, smilesparent: CC1=NC(N2CCNCC2)=CC(C)=N1, name: 2,4-dimethyl-6-(piperazin-1-yl)pyrimidine, inchikey: NARMKNJWXHFJFF-UHFFFAOYSA-N, vendoridlabnotebookid: DMK1-016-01, mwparent: 192.27, zinc: ZINC000004945061, emolecules: 7682966, ibmip: 39DD1B7856490077B96E057A0BC6896B, surechemblpatents: SCHEMBL14538233, pubchem: 4778269, mcule: MCULE-6658789969, molport: MolPort-000-127-916 OSA_000052 target: MurE, smilesparent: CC1=NC(C)=NC(O[C@@H]2C[C@H](N)C2)=C1, name: (1s,3s)-3-((2,6-dimethylpyrimidin-4-yl)oxy)cyclobutan-1-amine, inchikey: PBUDRDOITAGXBK-DTORHVGOSA-N, vendoridlabnotebookid: DMK1-017-01, mwparent: 193.25 OSA_000053 target: MurE, smilesparent: CC1=NC(N(C)C2CCNCC2)=CC(C)=N1, name: N,2,6-trimethyl-N-(piperidin-4-yl)pyrimidin-4-amine, inchikey: BVCNAWIDUYONQF-UHFFFAOYSA-N, vendoridlabnotebookid: DMK1-027-01, mwparent: 220.32, pubchem: 83837997 OSA_000054 target: MurE, smilesparent: CC1=NC(C)=NC(O[C@@H]2CC[C@H](N)CC2)=C1, name: (1s,4s)-4-((2,6-dimethylpyrimidin-4-yl)oxy)cyclohexan-1-amine, inchikey: YMVILXRRLQDUJA-PHIMTYICSA-N, vendoridlabnotebookid: DMK1-036-02, mwparent: 221.3 OSA_000055 target: MurE, smilesparent: CC1=NC(O[C@@H]2CC[C@H](N)CC2)=CC=N1, name: (1s,4s)-4-((2-methylpyrimidin-4-yl)oxy)cyclohexan-1-amine, inchikey: SZXKFHYSOCTBQG-AOOOYVTPSA-N, vendoridlabnotebookid: DMK1-037-01, mwparent: 207.28 OSA_000056 target: MurE, smilesparent: CC1=NC(N(C)[C@@H]2CC[C@@H](OCC3=CC=CC=C3)CC2)=CC(C)=N1, name: N-((1r,4r)-4-(benzyloxy)cyclohexyl)-N,2,6-trimethylpyrimidin-4-amine, inchikey: ZZJCNCHMNLYMIE-WGSAOQKQSA-N, vendoridlabnotebookid: DMK39-1-A, mwparent: 325.46 OSA_000057 target: MurE, smilesparent: [C@H]1(C[C@H](OCC2=CC=CC=C2)C1)NCC3=CC=CC=C3, name: (1s,3s)-N-benzyl-3-(benzyloxy)cyclobutan-1-amine, inchikey: OJRDXVDVJDRGDG-HDICACEKSA-N, vendoridlabnotebookid: DMK42-1-B, mwparent: 267.37 OSA_000058 target: MurE, smilesparent: [C@H]1(CC[C@H](OCC2=CC=CC=C2)CC1)NCC3=CC=CC=C3, name: (1s,4s)-N-benzyl-4-(benzyloxy)cyclohexan-1-amine, inchikey: CDOVLPCFFGLPLC-BGYRXZFFSA-N, vendoridlabnotebookid: DMK44-1-A, mwparent: 295.43 OSA_000059 target: MurE, smilesparent: CC1=NC(N2CCOCC2)=CC(C)=N1, name: 4-(2,6-dimethylpyrimidin-4-yl)morpholine, inchikey: FNAPOGMKDIXHRC-UHFFFAOYSA-N, vendoridlabnotebookid: DMK49-1-A, mwparent: 193.25, zinc: ZINC000167585959, ibmip: E00DBFED095A4329486F8BCDDF6FA35B, surechemblpatents: SCHEMBL5788649, pubchem: 18763678, molport: MolPort-042-610-732 OSA_000060 target: MurE, smilesparent: CN(C1CCN(C(OC(C)(C)C)=O)CC1)C2=NC=CC(C3=CC=CC=C3)=N2, name: tert-butyl 4-(methyl(4-phenylpyrimidin-2-yl)amino)piperidine-1-carboxylate, inchikey: ONPLFFSCAGGFKD-UHFFFAOYSA-N, vendoridlabnotebookid: DMK50-1-B, mwparent: 368.48 OSA_000061 target: MurE, smilesparent: CN(C1CCN(C(OC(C)(C)C)=O)CC1)C2=CC=NC(C3=CC=CC=C3)=N2, name: tert-butyl 4-(methyl(2-phenylpyrimidin-4-yl)amino)piperidine-1-carboxylate, inchikey: CBLVQLNVSNXCLS-UHFFFAOYSA-N, vendoridlabnotebookid: DMK51-1-B, mwparent: 368.48 OSA_000062 target: MurE, smilesparent: CN(C1=CC=NC(N2CCCCC2)=N1)C3CCNCC3, name: N-methyl-2-(piperidin-1-yl)-N-(piperidin-4-yl)pyrimidin-4-amine, inchikey: IMXRHPKESCTRIJ-UHFFFAOYSA-N, vendoridlabnotebookid: DMK58-1-A, mwparent: 275.4 OSA_000063 target: MurE, smilesparent: CN(C1=NC=CC(C2=CC=CC=C2)=N1)C3CCNCC3, name: N-methyl-4-phenyl-N-(piperidin-4-yl)pyrimidin-2-amine, inchikey: XIJXYHDYGUOQNL-UHFFFAOYSA-N, vendoridlabnotebookid: DMK59-1-B, mwparent: 268.36 OSA_000064 target: MurE, smilesparent: CN(C1CCNCC1)C2=CC=NC(C3=CC=CC=C3)=N2, name: N-methyl-2-phenyl-N-(piperidin-4-yl)pyrimidin-4-amine, inchikey: VYGQBMPGXPUVSD-UHFFFAOYSA-N, vendoridlabnotebookid: DMK60-1-B, mwparent: 268.36 OSA_000065 target: MurE, smilesparent: CN(C1=CC=NC(N2CCN(C)CC2)=N1)C3CCNCC3, name: N-methyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-4-yl)pyrimidin-4-amine, inchikey: SJEQNMHGPXUWFD-UHFFFAOYSA-N, vendoridlabnotebookid: DMK64-1-A, mwparent: 290.42 OSA_000066 target: MurE, smilesparent: CN(C1CCNCC1)C2=CC=NC(N3CCOCC3)=N2, name: N-methyl-2-morpholino-N-(piperidin-4-yl)pyrimidin-4-amine, inchikey: OQYXLCULTIRBJK-UHFFFAOYSA-N, vendoridlabnotebookid: DMK65-1-A, mwparent: 277.37 OSA_000067 target: MurE, smilesparent: CN(C1=CC=NC(C2=CC=C(C=CC=C3)C3=C2)=N1)C4CCNCC4, name: N-methyl-2-(naphthalen-2-yl)-N-(piperidin-4-yl)pyrimidin-4-amine, inchikey: JQHAEPJGTTZWDN-UHFFFAOYSA-N, vendoridlabnotebookid: DMK67-1-A, mwparent: 318.42 OSA_000068 target: MurE, smilesparent: CC1=NC(N2CCC(O)CC2)=CC(C)=N1, name: 1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-ol, inchikey: KSLPDQWOFAZNCZ-UHFFFAOYSA-N, vendoridlabnotebookid: DMK74-1-A, mwparent: 207.28, chembl: CHEMBL3436609, zinc: ZINC000032908933, emolecules: 33343885, pubchem: 40145619, mcule: MCULE-8687446547, molport: MolPort-009-482-364 OSA_000069 target: MurE, smilesparent: O=C(CNCCN1CCS(CC1)(=O)=O)NC2=CC=CC=C2, name: 2-((2-(1,1-Dioxidothiomorpholino)ethyl)amino)-N-phenylacetamide, inchikey: GWQKHLYBCYNTCS-UHFFFAOYSA-N, vendoridlabnotebookid: FI108-1, mwparent: 311.4 OSA_000070 target: MurE, smilesparent: O=C(N1CCS(CC1)(=O)=O)/C=C/C2=CC=CC=C2, name: (E)-1-(1,1-dioxidothiomorpholino)-3-phenylprop-2-en-1-one, inchikey: BZLCIOHCAGDPCQ-VOTSOKGWSA-N, vendoridlabnotebookid: FI110-1, mwparent: 265.33 OSA_000071 target: MurE, smilesparent: O=S(C1=CC=C(NC(C)=O)C=C1)(N2CCS(CC2)(=O)=O)=O, name: N-(4-((1,1-dioxidothiomorpholino)sulfonyl)phenyl)acetamide, inchikey: ZZVDMCLDRXCQEI-UHFFFAOYSA-N, vendoridlabnotebookid: FI111-1, mwparent: 332.4, zinc: ZINC000048524396, pubchem: 51063090 OSA_000072 target: MurE, smilesparent: FC(C1=CC(CN2CCS(CC2)(=O)=O)=CC=C1OCC)(F)F, name: 4-(4-Ethoxy-3-(trifluoromethyl)benzyl)thiomorpholine 1,1-dioxide, inchikey: QEWHAKAPFDMZOB-UHFFFAOYSA-N, vendoridlabnotebookid: FI118-1, mwparent: 337.36 OSA_000073 target: MurE, smilesparent: O=C(CN1CCS(CC1)(=O)=O)NC2=CC=C(CN3N=CN=C3)C=C2, name: N-(4-((1H-1,2,4-triazol-1-yl)methyl)phenyl)-2-(1,1-dioxidothiomorpholino)acetamide, inchikey: UAFDTEOMKRBVCR-UHFFFAOYSA-N, vendoridlabnotebookid: FI119-2, mwparent: 349.41 OSA_000074 target: MurE, smilesparent: O=C(CN1CCS(CC1)(=O)=O)NC2=CC(C3=CC=CC=C3)=NO2, name: 2-(1,1-dioxidothiomorpholino)-N-(3-phenylisoxazol-5-yl)acetamide, inchikey: HGQFBCZCZNIYPX-UHFFFAOYSA-N, vendoridlabnotebookid: FI120-1, mwparent: 335.38 OSA_000075 target: MurE, smilesparent: O=S(CCN1CC2=CC=C(C3=CC=CN=C3)O2)(CC1)=O, name: 4-((5-(Pyridin-3-yl)furan-2-yl)methyl)thiomorpholine 1,1-dioxide, inchikey: LRNZFCNBHBNOKV-UHFFFAOYSA-N, vendoridlabnotebookid: FI123-1B, mwparent: 292.36 OSA_000076 target: MurE, smilesparent: O=C(NCC=1C=CC=2OCOC2C1)C3=NNC=4C=CC=CC34, inchikey: NMEDEIGVFZDKOG-UHFFFAOYSA-N, vendoridlabnotebookid: Z31428352, fragalysisref: MUREECA-x0263, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000012519516, pubchem: 2594827, mcule: MCULE-8044423287, molport: MolPort-005-303-436 OSA_000077 target: MurE, smilesparent: CS(=O)(=O)NC=1C=C(C=CC1F)C(=O)NC=2C=CC3=CNN=C3C2, inchikey: MAKJHUFNWVEFJT-UHFFFAOYSA-N, vendoridlabnotebookid: Z1005269362, fragalysisref: MUREECA-x0264, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000095347344, pubchem: 75369196, mcule: MCULE-6458330121, molport: MolPort-027-893-230 OSA_000078 target: MurE, smilesparent: NC(=O)C=1C=CC(CSC=2N=C(N)C=C(N)N2)=C(C1)[N+](=O)[O-], inchikey: BPECAYQUNRWKQN-UHFFFAOYSA-N, vendoridlabnotebookid: Z165645656, fragalysisref: MUREECA-x0265, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000009322525, pubchem: 17547335, mcule: MCULE-5506115281, molport: MolPort-005-789-711 OSA_000079 target: MurE, smilesparent: NC=1N=C(CN(CC2CCCO2)CC=3C=CC=NC3)N=C4C=CC=CC14, inchikey: RUQYBTOYJLSZJO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1469057666, fragalysisref: MUREECA-x0266, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75385899, mcule: MCULE-1421451928 OSA_000080 target: MurE, smilesparent: CC1OC=2C=CC(NC(=O)CC3=CNC=4C=CC=CC34)=CC2NC1=O, inchikey: LSXQARXDKWAAPN-UHFFFAOYSA-N, vendoridlabnotebookid: Z110096110, fragalysisref: MUREECA-x0267, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 17397488, mcule: MCULE-9495606806, molport: MolPort-003-352-132 OSA_000081 target: MurE, smilesparent: CC=1C=C(NC(=O)NCCNC(=O)C2=CC=CN2C)C=C3NN=CC13, inchikey: RAGJYWPDBRBUSF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1557592893, fragalysisref: MUREECA-x0268, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000095452767, pubchem: 75396311, mcule: MCULE-8320797815, molport: MolPort-027-931-139 OSA_000082 target: MurE, smilesparent: OC=1C=CC(C2=CSC(NC=3C=CC=4OCCOC4C3)=N2)=C(O)C1, inchikey: DMGFCWYHYNAFNV-UHFFFAOYSA-N, vendoridlabnotebookid: Z48851300, fragalysisref: MUREECA-x0269, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000009365426, emolecules: 11900618, surechemblpatents: SCHEMBL12297544, thomsonpharma: 125319564, pubchem: 17400023, mcule: MCULE-2129515138, molport: MolPort-004-238-428 OSA_000083 target: MurE, smilesparent: COC=1C=CC(OCC2=CC=3C=CC=CC3C(=O)N2)=C(C1)C(=O)N, inchikey: VWULKWUVJNYMLV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1742686736, fragalysisref: MUREECA-x0270, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000154512625, pubchem: 99699328, molport: MolPort-035-828-923 OSA_000084 target: MurE, smilesparent: O=C(NCC=1C=CC=2OCOC2C1)C3=NNC(=O)C=4C=CC=CC34, inchikey: MYIHPIWNIJQCMW-UHFFFAOYSA-N, vendoridlabnotebookid: Z27695286, fragalysisref: MUREECA-x0271, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL1704199, zinc: ZINC000013497475, emolecules: 2045317, pubchem: 847875, mcule: MCULE-8407124309, molport: MolPort-001-537-737 OSA_000085 target: MurE, smilesparent: COC=1C=C2N=C(CN(C)C=3C=CC=C(O)C3)NC(=O)C2=CC1OC, inchikey: AGQKMHVELSXPNF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1230415721, fragalysisref: MUREECA-x0272, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000169989854, pubchem: 136526603, molport: MolPort-035-829-888 OSA_000086 target: MurE, smilesparent: OC=1C=CC=C(NC(=O)CCC2=NC=3C=CC=CC3C(=O)N2)C1, inchikey: GZKQCZKTBHTSMJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z31717432, fragalysisref: MUREECA-x0273, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000006508788, emolecules: 11658193, pubchem: 135530899, mcule: MCULE-1868506148, molport: MolPort-004-175-566 OSA_000087 target: MurE, smilesparent: CC1=NN=C(O1)C2CN(CCO2)C(=O)CN3C(=O)NC=4C=CC=CC34, inchikey: XCHXNTCXBLCOHU-UHFFFAOYSA-N, vendoridlabnotebookid: Z1754180927, fragalysisref: MUREECA-x0274, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 128992992, molport: MolPort-039-177-589 OSA_000088 target: MurE, smilesparent: COC=1C=CC(OCC2=NNC(=N2)C=3C=CC=NC3)=CC1, inchikey: URLWNNUQUQDOTF-UHFFFAOYSA-N, vendoridlabnotebookid: Z57339412, fragalysisref: MUREECA-x0275, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000008048413, emolecules: 36819249, pubchem: 912799, mcule: MCULE-5399799406, molport: MolPort-000-263-131 OSA_000089 target: MurE, smilesparent: COC(C)(C)C1=NOC(CC2=CSC(=N2)N3CCNC3=O)=N1, inchikey: VTIFKODLBOWMBG-UHFFFAOYSA-N, vendoridlabnotebookid: Z1381367571, fragalysisref: MUREECA-x0276, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000085237023, pubchem: 97031181, molport: MolPort-035-841-842 OSA_000090 target: MurE, smilesparent: COCCNC(=O)CSC1=NN=C2NC=3C=CC=CC3N12, inchikey: CZKICWWYFFCFHV-UHFFFAOYSA-N, vendoridlabnotebookid: Z16225295, fragalysisref: MUREECA-x0277, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000003599116, pubchem: 2705244, mcule: MCULE-2956444116, molport: MolPort-004-118-380 OSA_000091 target: MurE, smilesparent: O=C1NCCN1C2=NC(CC3=NC(=NO3)C4CCOC4)=CS2, inchikey: KIGIFYYWPPJFSK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1407882427, fragalysisref: MUREECA-x0278, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 102559549 OSA_000092 target: MurE, smilesparent: COC=1C=CC(CNC(=O)C2=C(C)OC=3N=CNC(=O)C23)=CC1, inchikey: XNLOTSFYRMMDDB-UHFFFAOYSA-N, vendoridlabnotebookid: Z94789885, fragalysisref: MUREECA-x0279, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000007718611, emolecules: 3545409, pubchem: 8833626, mcule: MCULE-6761255294, molport: MolPort-004-131-767 OSA_000093 target: MurE, smilesparent: CCN1CCN(CC1)C=2C=NC=C(Br)C2, inchikey: LVFHMZAHMBVCLX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1172208621, fragalysisref: MUREECA-x0280, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 91654551, molport: MolPort-035-765-464 OSA_000094 target: MurE, smilesparent: NC=1NN=C(CCCCCNC=2N=CN=C3SC=CC23)C1C#N, inchikey: LJLWKEPEVPEYEZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z31129458, fragalysisref: MUREECA-x0281, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000007738342, emolecules: 11670727, pubchem: 8853227, mcule: MCULE-3616528582, molport: MolPort-004-493-574 OSA_000095 target: MurE, smilesparent: CCC=1C=C(NN1)C(=O)NCC(N(C)C)C=2C=CC(OC)=CC2, inchikey: ZRWIYYIHDOGNST-UHFFFAOYSA-N, vendoridlabnotebookid: Z365298776, fragalysisref: MUREECA-x0282, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 78861626, mcule: MCULE-7713772518, molport: MolPort-028-252-233 OSA_000096 target: MurE, smilesparent: CC(SC=1N=C(N)N=C(N)N1)C(=O)NCC=2C=CC=3OCOC3C2, inchikey: LGMWUAMHUYYNDE-UHFFFAOYSA-N, vendoridlabnotebookid: Z17559315, fragalysisref: MUREECA-x0283, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, emolecules: 11721520, pubchem: 16299622, mcule: MCULE-8280627851, molport: MolPort-005-515-994 OSA_000097 target: MurE, smilesparent: COC=1C=CC(=CC1)C2=CC(=NN2)N(C)CC3=NNC(=O)S3, inchikey: PTAMQWWOGAEUND-UHFFFAOYSA-N, vendoridlabnotebookid: Z1824274849, fragalysisref: MUREECA-x0284, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000170607489, pubchem: 99792332, molport: MolPort-035-848-865 OSA_000098 target: MurE, smilesparent: COC=1C=CC(CNC(=O)C2=C(C)OC=3N=CNC(=O)C23)=CC1OC, inchikey: UHAIBIQKFKWNAT-UHFFFAOYSA-N, vendoridlabnotebookid: Z82184050, fragalysisref: MUREECA-x0285, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000058416829, emolecules: 33298465, pubchem: 51073118, mcule: MCULE-9501523073, molport: MolPort-009-521-250 OSA_000099 target: MurE, smilesparent: NS(=O)(=O)C=1C=CC=C(NC(=O)C2=CC=3CCCC3S2)C1, inchikey: NRNBETNAZMGLFK-UHFFFAOYSA-N, vendoridlabnotebookid: Z56831588, fragalysisref: MUREECA-x0286, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000004949654, pubchem: 4282182, mcule: MCULE-4675779521, molport: MolPort-003-249-205 OSA_000100 target: MurE, smilesparent: CC1=NN(C)C=2NC(=O)C(CCC(=O)NC=3C=NN(C)C3)=C(C)C12, inchikey: LJVDBVWWNFOBPZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z373770778, fragalysisref: MUREECA-x0287, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000047529435, pubchem: 136258287, mcule: MCULE-3361087734, molport: MolPort-028-832-934 OSA_000101 target: MurE, smilesparent: C(SC=1N=NC=2C=3C=CC=CC3NC2N1)C4=NC=5C=CC=CC5S4, inchikey: OMZOFYSWPPKHEA-UHFFFAOYSA-N, vendoridlabnotebookid: Z19126119, fragalysisref: MUREECA-x0288, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000006455276, emolecules: 3024298, pubchem: 6408974, mcule: MCULE-7955961893, molport: MolPort-004-008-066 OSA_000102 target: MurE, smilesparent: NC=1N=C(NCC=2C=CC=3OCOC3C2)N=CC1[N+](=O)[O-], inchikey: BOZPTMHUICNNLY-UHFFFAOYSA-N, vendoridlabnotebookid: Z641206860, fragalysisref: MUREECA-x0289, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000056908479, emolecules: 32237890, pubchem: 51077040, mcule: MCULE-8970598355, molport: MolPort-009-534-534 OSA_000103 target: MurE, smilesparent: COC=1C=CC(NC(=O)CSC=2N=CN=C3NN=CC23)=CC1, inchikey: QCUPAAXQADNDMS-UHFFFAOYSA-N, vendoridlabnotebookid: Z56936356, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL, chembl: CHEMBL1330077, zinc: ZINC000013686256, pubchem: 2475269, mcule: MCULE-8536637300, molport: MolPort-028-817-174, bindingdb: 95529 OSA_000104 target: MurE, smilesparent: CC1=NC(=NN1)C=2C=CC=C(CNC(=O)C3=CC=CS3)C2, inchikey: HGDBPQTZUDZBKL-UHFFFAOYSA-N, vendoridlabnotebookid: Z1530946344, fragalysisref: MUREECA-x0290, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000096485486, pubchem: 71967402, mcule: MCULE-7521545899, molport: MolPort-028-319-212 OSA_000105 target: MurE, smilesparent: COC=1C=CC=CC1C=2C=C(CSC=3N=C(N)N=C(N)N3)ON2, inchikey: DIGICKKBUYGCFX-UHFFFAOYSA-N, vendoridlabnotebookid: Z217737566, fragalysisref: MUREECA-x0291, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000009954863, emolecules: 13425423, pubchem: 16392420, mcule: MCULE-3871371792, molport: MolPort-005-790-997 OSA_000106 target: MurE, smilesparent: CS(=O)C=1C=CC(CNC=2C=CC(NC(=O)C3CC3)=NC2)=CC1, inchikey: DXGGAULPUWZREN-UHFFFAOYSA-N, vendoridlabnotebookid: Z1478432600, fragalysisref: MUREECA-x0292, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75386265, mcule: MCULE-2274512206, molport: MolPort-027-917-091 OSA_000107 target: MurE, smilesparent: O=C(NCC1COC=2C=CC=CC2O1)C3=NNC(=O)C=4C=CC=CC34, inchikey: PILPRNXXXWQIFK-UHFFFAOYSA-N, vendoridlabnotebookid: Z29885103, fragalysisref: MUREECA-x0293, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 4658746, mcule: MCULE-9545743460, molport: MolPort-003-058-265 OSA_000108 target: MurE, smilesparent: NC(=O)CN1CCCC1C=2C=CC=3OCCOC3C2, inchikey: RNMUUNUDPOBGLL-UHFFFAOYSA-N, vendoridlabnotebookid: Z103860258, fragalysisref: MUREECA-x0294, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL1385637, emolecules: 3680239, pubchem: 16322468, mcule: MCULE-8988786635, molport: MolPort-004-183-471 OSA_000109 target: MurE, smilesparent: NC(=O)C(CC=1C=CC=CC1)NC(=O)CN2C=C(N=N2)C=3C=CC=CC3, inchikey: GFHWBBAEDQRWDZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1426335808, fragalysisref: MUREECA-x0295, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75381400, mcule: MCULE-4682521098, molport: MolPort-027-909-848 OSA_000110 target: MurE, smilesparent: COC=1C=CC(CNC=2N=CC([N+](=O)[O-])=C(N)N2)=CN1, inchikey: RCJGLTFAIGBOJT-UHFFFAOYSA-N, vendoridlabnotebookid: Z643599154, fragalysisref: MUREECA-x0296, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000072270834, pubchem: 72153793, mcule: MCULE-8703474224, molport: MolPort-023-136-385 OSA_000111 target: MurE, smilesparent: COC(C(=O)NC=1C=CC=2OC(C)C(=O)NC2C1)C=3C=CC=CC3, inchikey: QBGRKRDAWNZNTG-UHFFFAOYSA-N, vendoridlabnotebookid: Z442692294, fragalysisref: MUREECA-x0297, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75403582, mcule: MCULE-1767827736, molport: MolPort-027-940-741 OSA_000112 target: MurE, smilesparent: CCCCC1=NN=C(NC(=O)CN(C)C=2N=CN=C3N=CNC23)S1, inchikey: QETLXNJEPGTTJF-UHFFFAOYSA-N, vendoridlabnotebookid: Z776735836, fragalysisref: MUREECA-x0298, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000045979378, pubchem: 75466661, mcule: MCULE-2479085235 OSA_000113 target: MurE, smilesparent: CN1C=C(C=N1)C2=NC(CNC=3C=C(Cl)C=CC3C(=O)N)=CS2, inchikey: QWTRYESKXIDEKV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1419679430, fragalysisref: MUREECA-x0299, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000095414822, pubchem: 75380541, mcule: MCULE-6209108777, molport: MolPort-027-908-548 OSA_000114 target: MurE, smilesparent: NC=1N=C(CSCC(=O)NC=2C=CC=CC2)N=C3C=CC=CC13, inchikey: LKPSHDJDOFGRLR-UHFFFAOYSA-N, vendoridlabnotebookid: Z1137690688, fragalysisref: MUREECA-x0300, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000071858789, emolecules: 36951723, pubchem: 56827502, mcule: MCULE-8656396665, molport: MolPort-020-164-355 OSA_000115 target: MurE, smilesparent: CN1N=CC=C1CC2=NOC(=N2)C3=NNC(=O)C=4C=CC=CC34, inchikey: GXNDOEJHAPHHDI-UHFFFAOYSA-N, vendoridlabnotebookid: Z1685134911, fragalysisref: MUREECA-x0301, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000170595442, pubchem: 99783652, molport: MolPort-035-846-044 OSA_000116 target: MurE, smilesparent: NC(=O)C=1C=C(C=CC1O)C2=CSC(NC3CC3)=N2, inchikey: VOEBRZICBJTPCK-UHFFFAOYSA-N, vendoridlabnotebookid: Z203053480, fragalysisref: MUREECA-x0302, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 11756640, pubchem: 16322987, mcule: MCULE-2726137785, molport: MolPort-004-182-947 OSA_000117 target: MurE, smilesparent: CC1(CCNC(=O)CC1)C=2C=CC=CC2, inchikey: BNJMNDMSROAXRX-UHFFFAOYSA-N, vendoridlabnotebookid: Z2028214363, fragalysisref: MUREECA-x0303, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 14609264, molport: MolPort-035-831-348 OSA_000118 target: MurE, smilesparent: COC=1C=CC(OCC=2N=C(N)C=3C=CC=CC3N2)=C(C1)[N+](=O)[O-], inchikey: IJFKTRTUAMCUEV-UHFFFAOYSA-N, vendoridlabnotebookid: Z167849056, fragalysisref: MUREECA-x0304, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000009208197, emolecules: 16653601, pubchem: 9451126, mcule: MCULE-7954530510, molport: MolPort-003-333-583 OSA_000119 target: MurE, smilesparent: CCC1=CC(=NN1)C(=O)NCC=2C=CC(=CC2)C(=O)O, inchikey: OLVMBJASMPOHJZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1443594996, fragalysisref: MUREECA-x0305, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000225455824, pubchem: 100639703, molport: MolPort-038-956-865 OSA_000120 target: MurE, smilesparent: CN(C)C(=O)CNC(=O)CSC=1N=C(N)C=2C=CSC2N1, inchikey: YWEZRBTVBNOXKZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z166467790, fragalysisref: MUREECA-x0306, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000009209208, emolecules: 13412728, pubchem: 9452046, mcule: MCULE-8391218791, molport: MolPort-005-797-367 OSA_000121 target: MurE, smilesparent: O=C(CC=1C=CC=2C=NNC2C1)N3CCN(CC3)C=4N=CC=CN4, inchikey: IGIFWSMRNABZGC-UHFFFAOYSA-N, vendoridlabnotebookid: Z1835954542, fragalysisref: MUREECA-x0307, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000225614919, pubchem: 100698715, molport: MolPort-038-968-164 OSA_000122 target: MurE, smilesparent: NC=1N=C(COC=2C=CC(=CC2)[N+](=O)[O-])N=C3C=CC=CC13, inchikey: MGOMLMOIBWEHNN-UHFFFAOYSA-N, vendoridlabnotebookid: Z167838862, fragalysisref: MUREECA-x0308, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000008166077, emolecules: 16653840, pubchem: 16340517, mcule: MCULE-5887740645, molport: MolPort-003-334-726 OSA_000123 target: MurE, smilesparent: CC1(CC1)C=2C=C(NN2)N3CCN(CC3)C(=O)C=4C=CN=CC4F, inchikey: FNXUQNCPPHPZPX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1952865255, fragalysisref: MUREECA-x0309, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000225425081, pubchem: 100627121, molport: MolPort-038-977-348 OSA_000124 target: MurE, smilesparent: NC=1N=C(SCC2=COC(=N2)C3=CC=CS3)N=C4SC=CC14, inchikey: ORMTYBUFIPPTJE-UHFFFAOYSA-N, vendoridlabnotebookid: Z166468496, fragalysisref: MUREECA-x0310, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000009737271, emolecules: 3695729, pubchem: 16351535, mcule: MCULE-5811440283, molport: MolPort-003-341-977 OSA_000125 target: MurE, smilesparent: NC(=O)C=1C=NN2CCC(CNC(=O)C=3C=CC=4NC=NC4C3)CC12, inchikey: OUWFAVMKVUQMEB-UHFFFAOYSA-N, vendoridlabnotebookid: Z1852075533, fragalysisref: MUREECA-x0311, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 128974378, molport: MolPort-039-155-757 OSA_000126 target: MurE, smilesparent: CC(C)CNC(=O)NC(=O)CSC=1N=C(N)C=2C=CSC2N1, inchikey: AUTATVHVIWGXAG-UHFFFAOYSA-N, vendoridlabnotebookid: Z166465770, fragalysisref: MUREECA-x0312, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000009750208, emolecules: 13419331, pubchem: 16356088, mcule: MCULE-3848817463, molport: MolPort-003-343-140 OSA_000127 target: MurE, smilesparent: CC(NC(=O)C1=NNC=2C=CC=CC12)C=3C=CC=C(C3)S(=O)(=O)N, inchikey: JQNVPDHOYJTPII-UHFFFAOYSA-N, vendoridlabnotebookid: Z191126564, fragalysisref: MUREECA-x0313, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 60353930, mcule: MCULE-7802186167 OSA_000128 target: MurE, smilesparent: NC=1N=C(CSC=2N=CC=CN2)N=C3SC=4CCCCC4C13, inchikey: VJVSLMZJJJIPAH-UHFFFAOYSA-N, vendoridlabnotebookid: Z167801970, fragalysisref: MUREECA-x0314, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL3989248, zinc: ZINC000009945566, emolecules: 3698571, pubchem: 16356895, mcule: MCULE-8899998470, molport: MolPort-004-206-099 OSA_000129 target: MurE, smilesparent: CC(C)C1=NSC(=N1)N2CCCC(C2)C3=NNC(=O)O3, inchikey: ITCSCDQEZBJKMP-UHFFFAOYSA-N, vendoridlabnotebookid: Z2033609726, fragalysisref: MUREECA-x0315, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, pubchem: 119038301, molport: MolPort-038-981-556 OSA_000130 target: MurE, smilesparent: CS(=O)C=1C=CC(CNC=2N=CC([N+](=O)[O-])=C(N)N2)=CC1, inchikey: NPBDANAIJYXLKO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1357256284, fragalysisref: MUREECA-x0316, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75377228, mcule: MCULE-7774447818, molport: MolPort-027-903-822 OSA_000131 target: MurE, smilesparent: CC(NC(=O)CC1=NNC(=O)C=2C=CC=CC12)C=3C=CC=NC3, inchikey: CBTYVRZGYIWHFG-UHFFFAOYSA-N, vendoridlabnotebookid: Z83017152, fragalysisref: MUREECA-x0317, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 11910217, pubchem: 17404544, mcule: MCULE-7660316940, molport: MolPort-005-527-004 OSA_000132 target: MurE, smilesparent: NC(=O)C=1C=CC=CC1N2CCC(C2)NC(=O)C=3C=CC(Cl)=CN3, inchikey: XRMAXCFRONUBFV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1231837049, fragalysisref: MUREECA-x0318, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75372381, mcule: MCULE-3910997732, molport: MolPort-027-897-494 OSA_000133 target: MurE, smilesparent: NC=1N=C(COC=2C=CC=NC2[N+](=O)[O-])N=C3C=CC=CC13, inchikey: YURRUWLOTPJZMQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z167856942, fragalysisref: MUREECA-x0319, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000008747199, emolecules: 15253223, pubchem: 17554333, mcule: MCULE-2513399073, molport: MolPort-005-548-268 OSA_000134 target: MurE, smilesparent: NC(=O)C=1C(Cl)=CC=CC1NCC=2C=CC=C(C#N)C2F, inchikey: QQAQOXXMBVXORC-UHFFFAOYSA-N, vendoridlabnotebookid: Z1589570777, fragalysisref: MUREECA-x0320, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000095460374, pubchem: 75399956, mcule: MCULE-9804099936, molport: MolPort-027-935-016 OSA_000135 target: MurE, smilesparent: CC(C)C(=O)NC=1C=CC(C#N)=CC1, inchikey: WQZFOMXBTXLFNS-UHFFFAOYSA-N, vendoridlabnotebookid: Z30612234, fragalysisref: MUREECA-x0321, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, zinc: ZINC000008855839, emolecules: 31406136, ibmip: 6669DFF3645CBA55D847954BDC9B414D, surechemblpatents: SCHEMBL12309897, pubchem: 16227730, mcule: MCULE-1139515910, molport: MolPort-004-354-743, comptox: DTXSID80585446 OSA_000136 target: MurE, smilesparent: CC(C(=O)NC=1C=NN(CC(=O)N)C1)C2=CC=C(Cl)S2, inchikey: OEMRPMDWODGYQS-UHFFFAOYSA-N, vendoridlabnotebookid: Z1347877672, fragalysisref: MUREECA-x0322, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL3455457, pubchem: 75376897, mcule: MCULE-4453924804, molport: MolPort-027-903-354 OSA_000137 target: MurE, smilesparent: CCOC=1C=CC(NC2=NC(=CS2)C=3C=CC(O)=CC3O)=CC1, inchikey: ZJXGBVWHZHPEFH-UHFFFAOYSA-N, vendoridlabnotebookid: Z48861640, fragalysisref: MUREECA-x0323, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000006831524, pubchem: 8088615, mcule: MCULE-5318562286, molport: MolPort-028-812-878 OSA_000138 target: MurE, smilesparent: CC1=NN(C=2C=CC(F)=CC2)C=3NN=C(NC(=O)CC=4C=CON4)C13, inchikey: VCSPHXPMNSKFMI-UHFFFAOYSA-N, vendoridlabnotebookid: Z1315026747, fragalysisref: MUREECA-x0324, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, zinc: ZINC000095405597, pubchem: 136231521, mcule: MCULE-2867355593, molport: MolPort-027-901-804 OSA_000139 target: MurE, smilesparent: COC=1C=CC(CNC=2N=CN=C3N(CCO)N=CC23)=CN1, inchikey: LYRRFQHZMIHKQG-UHFFFAOYSA-N, vendoridlabnotebookid: Z990856154, fragalysisref: MUREECA-x0325, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000065498560, emolecules: 35755763, pubchem: 53541306, mcule: MCULE-8224576737, molport: MolPort-019-677-659 OSA_000140 target: MurE, smilesparent: OC=1C=CC(=CC1)C(=O)CSC2=NNC3=NC=4C=CC=CC4N23, inchikey: XLDFZORUOPCKOV-UHFFFAOYSA-N, vendoridlabnotebookid: Z112433702, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000009377122, emolecules: 11830689, pubchem: 16375300, mcule: MCULE-8390118804, molport: MolPort-005-521-503 OSA_000141 target: MurE, smilesparent: FC=1C=CC=C(F)C1C2=CC(NC(=O)C3CCCC=4NN=CC34)=NN2, inchikey: BXPGNYVIRRKAST-UHFFFAOYSA-N, vendoridlabnotebookid: Z1410243144, fragalysisref: MUREECA-x0326, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75426036, mcule: MCULE-1098355331, molport: MolPort-028-770-899 OSA_000142 target: MurE, smilesparent: CC1=NN(C)C(C)=C1C2CCCN2CC=3N=C(N)C=4C=CC=CC4N3, inchikey: RDRWJMTVOPURRR-UHFFFAOYSA-N, vendoridlabnotebookid: Z1141203222, fragalysisref: MUREECA-x0327, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL3493060, emolecules: 36959025, pubchem: 56781431, mcule: MCULE-5851461696, molport: MolPort-020-036-028 OSA_000143 target: MurE, smilesparent: CC(=O)C=1C=CC(CNC(=O)C2=NNC=3C=CC=CC23)=NC1C, inchikey: VLFJLAVJDDVWFR-UHFFFAOYSA-N, vendoridlabnotebookid: Z1544591530, fragalysisref: MUREECA-x0328, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000095448343, pubchem: 75435885, mcule: MCULE-5686661400, molport: MolPort-028-781-073 OSA_000144 target: MurE, smilesparent: CC(CO)(CO)NC(=O)NC=1C=CC=CC1, inchikey: NLGYHTMGWVQQIL-UHFFFAOYSA-N, vendoridlabnotebookid: Z57472297, fragalysisref: MUREECA-x0329, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pdbligand: AYV, zinc: ZINC000000408628, emolecules: 659431, pubchem: 4056614, mcule: MCULE-1218000011 OSA_000145 target: MurE, smilesparent: CC1=NNC=2N=CC(NS(=O)(=O)CC=3C=CC(C#N)=CC3)=CC12, inchikey: PYOUVKDAWNKCKW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1601701772, fragalysisref: MUREECA-x0330, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000095988780, pubchem: 75445359, mcule: MCULE-6567346803, molport: MolPort-028-791-283 OSA_000146 target: MurE, smilesparent: CNC=1N=C(C)C=C(N1)C(=O)N[C@H](CC=2C=CC=CC2)C(=O)O, inchikey: FTJQBDYAEDVJNC-CYBMUJFWSA-N, vendoridlabnotebookid: Z2295601457, fragalysisref: MUREECA-x0331, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 121927992, molport: MolPort-042-361-658 OSA_000147 target: MurE, smilesparent: O=C(NC=1C=CN(CC=2C=CN=CC2)N1)NC=3C=CN=CN3, inchikey: WVSCFYZURGBPBF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1889528746, fragalysisref: MUREECA-x0332, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000194056170, pubchem: 99840495, molport: MolPort-038-989-342 OSA_000148 target: MurE, smilesparent: COC=1C=CC(=CC1)C2CCCCCN2CC=3N=C(N)N=C(N)N3, inchikey: RLHUIESCKLBBFZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z126474000, fragalysisref: MUREECA-x0333, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 24153597, pubchem: 16370498, mcule: MCULE-6686658728, molport: MolPort-005-521-200 OSA_000149 target: MurE, smilesparent: CC=1C=C(COCC(=O)NC2=NNC=3C=C(F)C=CC23)ON1, inchikey: HSWMQNGSLUJZCJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z2014289995, fragalysisref: MUREECA-x0334, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000225767962, pubchem: 100747464, molport: MolPort-038-993-923 OSA_000150 target: MurE, smilesparent: COC=1C=CC(CNC(=O)C2=NNC=3C=CC=CC23)=CC1, inchikey: HXCNLRFMVUGFKT-UHFFFAOYSA-N, vendoridlabnotebookid: Z32388176, fragalysisref: MUREECA-x0335, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000007942167, emolecules: 13423867, pubchem: 9070042, mcule: MCULE-6745635193, molport: MolPort-003-125-373 OSA_000151 target: MurE, smilesparent: CCCC1=CC(NS(=O)(=O)C=2C=CC(=CC2)C(=O)N(C)C)=NN1, inchikey: GBFRFKGBKLZSKG-UHFFFAOYSA-N, vendoridlabnotebookid: Z1996872008, fragalysisref: MUREECA-x0336, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000225666136, pubchem: 100715910, molport: MolPort-038-992-627 OSA_000152 target: MurE, smilesparent: NC(=O)C=1C=CC=CC1OCC2=NN=C(O2)C=3C=CC=CC3, inchikey: WQLJNWYMUUQURH-UHFFFAOYSA-N, vendoridlabnotebookid: Z25777642, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000009912549, emolecules: 11858522, pubchem: 16386990, mcule: MCULE-4884943874, molport: MolPort-004-215-226 OSA_000153 target: MurE, smilesparent: CC(CC=1C(C)=NN(C)C1C)NC(=O)C=2C=C(Cl)C=C(F)C2N, inchikey: IFRMXIFVHCUKDT-UHFFFAOYSA-N, vendoridlabnotebookid: Z1982323353, fragalysisref: MUREECA-x0337, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 121525114, molport: MolPort-039-067-239 OSA_000154 target: MurE, smilesparent: CCN1CCN(CC1)C(=O)NC=2C=CC(C)=CC2, inchikey: NZOZDLVYCYBKHN-UHFFFAOYSA-N, vendoridlabnotebookid: Z44585618, fragalysisref: MUREECA-x0338, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000000386708, emolecules: 2267353, pubchem: 851813, mcule: MCULE-4620695516, molport: MolPort-001-601-436 OSA_000155 target: MurE, smilesparent: CC1=NC(=NN1)C=2C=CC=C(NC(=O)CC3=CC=C(Cl)S3)C2, inchikey: NNVJLSJZGWOBNK-UHFFFAOYSA-N, vendoridlabnotebookid: Z2010503124, fragalysisref: MUREECA-x0339, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000193429430, pubchem: 119051773, molport: MolPort-039-007-038 OSA_000156 target: MurE, smilesparent: O=C1CCN(CC=2C=CC=CC2)CCN1, inchikey: FZPYTGOYFUEVSZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z56800698, fragalysisref: MUREECA-x0340, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 91666130, molport: MolPort-044-649-529 OSA_000157 target: MurE, smilesparent: O=C(NC=1C=CC=C(C1)C2=NC=CN2)C=3NN=C4CCCCC34, inchikey: KPRLUYCTQQFVOW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1231798863, fragalysisref: MUREECA-x0341, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 126785881, mcule: MCULE-1611520469, molport: MolPort-044-504-133 OSA_000158 target: MurE, smilesparent: CC=1C=C(C)N2N=C(SCC=3N=C(N)C=4C=CC=CC4N3)N=C2N1, inchikey: JLQSTBBAMXZXMI-UHFFFAOYSA-N, vendoridlabnotebookid: Z167718922, fragalysisref: MUREECA-x0342, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000008779953, emolecules: 13431976, pubchem: 17412732, mcule: MCULE-4728409579, molport: MolPort-005-536-122 OSA_000159 target: MurE, smilesparent: OCCNC1=NC=2C=CC=CC2N1CC(=O)NCC3CCCO3, inchikey: LKPBAAYEESTZDX-UHFFFAOYSA-N, vendoridlabnotebookid: Z25714070, fragalysisref: MUREECA-x0343, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL1494348, emolecules: 3324593, pubchem: 4877945, mcule: MCULE-6338968906, molport: MolPort-004-065-558 OSA_000160 target: MurE, smilesparent: COC=1C=CC(OCCSCC=2N=C(N)N=C(N)N2)=CC1, inchikey: KWOXTTFFNXNOFT-UHFFFAOYSA-N, vendoridlabnotebookid: Z99551913, fragalysisref: MUREECA-x0344, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000009049936, emolecules: 13431511, pubchem: 17413967, mcule: MCULE-3838808081, molport: MolPort-005-537-466 OSA_000161 target: MurE, smilesparent: CC1=CC=C(C(=O)NCC2=NC(=NO2)C=3C=CC=NC3)C(=O)N1, inchikey: HDJLPSQLODOOKN-UHFFFAOYSA-N, vendoridlabnotebookid: Z647382560, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000065514297, emolecules: 35725536, pubchem: 53510253, mcule: MCULE-5201468652, molport: MolPort-019-662-875 OSA_000162 target: MurE, smilesparent: NC(=O)C1CCCCC1NC=2C=CC=3N=CC=NC3N2, inchikey: GGWORVCWLADHLG-UHFFFAOYSA-N, vendoridlabnotebookid: Z1422042115, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, pubchem: 75380989, mcule: MCULE-1840865807, molport: MolPort-027-909-266 OSA_000163 target: MurE, smilesparent: CC1=C(N=NN1C=2C=CC=C3C=CC=NC23)C(=O)NCC=4C=CC=NC4, inchikey: WXIQAZCTYNTRGV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1165168528, fragalysisref: MUREECA-x0345, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000067133341, emolecules: 36965479, pubchem: 56784646, mcule: MCULE-9816564830, molport: MolPort-020-043-679 OSA_000164 target: MurE, smilesparent: CC1=NOC(CNC=2C=CC=C(OC=3C=CC=CC3C(=O)N)C2)=N1, inchikey: GAPMGWLFOQBLCT-UHFFFAOYSA-N, vendoridlabnotebookid: Z1325974399, fragalysisref: MUREECA-x0346, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000083144505, pubchem: 84585446, molport: MolPort-028-897-243 OSA_000165 target: MurE, smilesparent: OCCN1N=CC=2C(NCC=3C=CNN3)=NC=NC12, inchikey: ALIOMFUAHWTOHT-UHFFFAOYSA-N, vendoridlabnotebookid: Z990878262, fragalysisref: MUREECA-x0347, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, zinc: ZINC000097200003, pubchem: 86774292, mcule: MCULE-8360110961, molport: MolPort-030-003-634 OSA_000166 target: MurE, smilesparent: CN(CCO)C1(CNC2=NN3C(=O)C=CN=C3S2)CCCCC1, inchikey: UTTIUCLFGIDOMW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1203680577, fragalysisref: MUREECA-x0348, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000069879324, emolecules: 36716569, pubchem: 53614218, mcule: MCULE-2355647828, molport: MolPort-020-053-067 OSA_000167 target: MurE, smilesparent: OC=1C=CC(Cl)=CC1NC(=O)C=2C=NC=3NC(=O)NC(=O)C3C2, inchikey: UJJYCVDQMPCBCK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1165227098, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000067139086, emolecules: 37022821, pubchem: 56803801, mcule: MCULE-7889899206, molport: MolPort-020-088-707 OSA_000168 target: MurE, smilesparent: CCNC(=O)CN1C=CC(NC(=O)C=2C=CC=C(C2)N3C=CC=N3)=N1, inchikey: HQHMFDNKUMEITD-UHFFFAOYSA-N, vendoridlabnotebookid: Z1219888793, fragalysisref: MUREECA-x0349, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000095397977, pubchem: 84584195 OSA_000169 target: MurE, smilesparent: O=C(NC=1C=CC=C(CN2C=NC=3C=CC=CC23)C1)C4CCC(=O)N4, inchikey: NDMOOUJHDLIBHR-UHFFFAOYSA-N, vendoridlabnotebookid: Z1167942545, fragalysisref: MUREECA-x0350, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, emolecules: 36967038, pubchem: 56785418, mcule: MCULE-7383053939, molport: MolPort-020-044-661 OSA_000170 target: MurE, smilesparent: CN1N=CC(NCC=2C=CNN2)=C(Br)C1=O, inchikey: NDYYAVQTMZTYOA-UHFFFAOYSA-N, vendoridlabnotebookid: Z1189016073, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000095396192, pubchem: 84583923, molport: MolPort-028-895-655 OSA_000171 target: MurE, smilesparent: NC=1N=CN=C2N(CCCSC=3N=CN=C4C=CC=CC34)C=NC12, inchikey: YRNISAUEGLDQGF-UHFFFAOYSA-N, vendoridlabnotebookid: Z915390666, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000058201026, emolecules: 32124389, pubchem: 47083684, mcule: MCULE-1276921140, molport: MolPort-009-109-986 OSA_000172 target: MurE, smilesparent: CN1C(SCC=2N=C(N)C=3C=CC=CC3N2)=NN=C1C(F)(F)F, inchikey: FWOAXYJUZMBPJO-UHFFFAOYSA-N, vendoridlabnotebookid: Z167849604, fragalysisref: MUREECA-x0351, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000008780332, emolecules: 13432404, pubchem: 17414214, mcule: MCULE-8501259322, molport: MolPort-005-537-737 OSA_000173 target: MurE, smilesparent: OC(=O)C(CNC(=O)C=1C=CC=2C=CNC2C1)CC=3C=CC=CC3F, inchikey: OYJSZYHIQKOMLE-UHFFFAOYSA-N, vendoridlabnotebookid: Z1445326541, fragalysisref: MUREECA-x0352, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75429534, mcule: MCULE-2034366038, molport: MolPort-028-774-521 OSA_000174 target: MurE, smilesparent: OC(=O)C=1C=CC=CC1NS(=O)(=O)C=2C=CC=3CCNC(=O)C3C2, inchikey: DVFYBVFLKKYZLZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1672660229, fragalysisref: MUREECA-x0353, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000328587339, pubchem: 121547080, molport: MolPort-039-233-393 OSA_000175 target: MurE, smilesparent: NC=1C=CC=2C(NCCNC=3C=CC(=CC3)[N+](=O)[O-])=NC=NC2N1, inchikey: SDSVVUOGMGHVBP-UHFFFAOYSA-N, vendoridlabnotebookid: Z1537055266, fragalysisref: MUREECA-x0354, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000090068203, pubchem: 75434667, mcule: MCULE-7016082100, molport: MolPort-028-779-804 OSA_000176 target: MurE, smilesparent: CCN1C(NC(=O)CCC2=NN=CN2)=NC=3C=C(C)C=CC13, inchikey: DNTWOXATNODPRU-UHFFFAOYSA-N, vendoridlabnotebookid: Z1594722049, fragalysisref: MUREECA-x0355, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK: Melted, datacollectionoutcome: success, ligandbound: No, pubchem: 126766452, mcule: MCULE-3921188525, molport: MolPort-044-488-697 OSA_000177 target: MurE, smilesparent: CCS(=O)(=O)C=1C=CC(CNC(=O)C=2NN=C3CCCCC23)=CC1, inchikey: TWFGJWIGIKRNIX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1610792820, fragalysisref: MUREECA-x0356, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000095992136, pubchem: 75447049, mcule: MCULE-2669594571, molport: MolPort-028-793-079 OSA_000178 target: MurE, smilesparent: CN1CCN(CC2=CC=3C=CC=CC3NC2=O)CC1C4=NC(C)=NO4, inchikey: AQXLVXHHIDOVGV-UHFFFAOYSA-N, vendoridlabnotebookid: Z2053817169, fragalysisref: MUREECA-x0357, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 128979096, molport: MolPort-039-161-042 OSA_000179 target: MurE, smilesparent: CC1=NN(CC=2N=C(N)N=C(NC=3C=CC=CC3)N2)C(=O)C(C#N)=C1C, inchikey: CETNVHOKTNBVAY-UHFFFAOYSA-N, vendoridlabnotebookid: Z107289492, fragalysisref: MUREECA-x0358, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000050515158, emolecules: 35088095, pubchem: 51228566, mcule: MCULE-6366196606, molport: MolPort-019-643-212 OSA_000180 target: MurE, smilesparent: CN(CC(=O)NC=1C=CC(F)=CC1)CC=2N=C(N)C=3C=CC=CC3N2, inchikey: KHXCLTYQZCJSLC-UHFFFAOYSA-N, vendoridlabnotebookid: Z195626578, fragalysisref: MUREECA-x0359, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000009117651, emolecules: 13432922, pubchem: 17416920, mcule: MCULE-7207498006, molport: MolPort-005-540-678 OSA_000181 target: MurE, smilesparent: NC(=O)C1CCN(C1)C(=O)CCC=2C=NN(C2)C=3C=CC=CC3, inchikey: WNEVVGXNUWRHFS-UHFFFAOYSA-N, vendoridlabnotebookid: Z438021866, fragalysisref: MUREECA-x0360, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 35715388, pubchem: 53510531, mcule: MCULE-6146007742, molport: MolPort-019-657-998 OSA_000182 target: MurE, smilesparent: CCOC=1C=CC(OCCN2CC(OC=3C=CC=CC23)C(=O)N)=CC1, inchikey: FXYDAQRMWDMXSU-UHFFFAOYSA-N, vendoridlabnotebookid: Z89105592, fragalysisref: MUREECA-x0361, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 11963138, pubchem: 17419780, mcule: MCULE-7013308516 OSA_000183 target: MurE, smilesparent: CC=1C=C(NCCOC=2C=CC=3OCOC3C2)N=C(N)N1, inchikey: JTLUZQQPSPXCER-UHFFFAOYSA-N, vendoridlabnotebookid: Z645593308, fragalysisref: MUREECA-x0362, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000052328796, emolecules: 35725044, pubchem: 53513367, mcule: MCULE-9033710330, molport: MolPort-019-662-640 OSA_000184 target: MurE, smilesparent: CC(SC=1N=C(N)N=C(N)N1)C(=O)NC=2C=CC=3OCCOC3C2, inchikey: JZIAAYRUJHEVSI-UHFFFAOYSA-N, vendoridlabnotebookid: Z17559309, fragalysisref: MUREECA-x0363, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 12001579, pubchem: 17553819, mcule: MCULE-7747099593, molport: MolPort-004-568-846 OSA_000185 target: MurE, smilesparent: NC(=O)C1CCN(C1)C(=O)CCCC2=NN=C(O2)C=3C=CC=CC3, inchikey: ZMFSFNOKOXEOEM-UHFFFAOYSA-N, vendoridlabnotebookid: Z666973398, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, chembl: CHEMBL3491101, emolecules: 35726726, pubchem: 53509167, mcule: MCULE-7485315106, molport: MolPort-019-663-461 OSA_000186 target: MurE, smilesparent: CC1CCC2=C(C1)SC=3N=C(CSC4=NN=NN4C)N=C(N)C23, inchikey: LACFEJLDJSFOJO-UHFFFAOYSA-N, vendoridlabnotebookid: Z193663186, fragalysisref: MUREECA-x0364, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 13440889, pubchem: 17422842, mcule: MCULE-5717409328, molport: MolPort-005-547-357 OSA_000187 target: MurE, smilesparent: CN1N=C(C=CC1=O)C(=O)N(CCC(=O)N)CC=2C=CC=CC2, inchikey: SSCJNYUKXJXXLM-UHFFFAOYSA-N, vendoridlabnotebookid: Z167529348, fragalysisref: MUREECA-x0365, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000053336596, emolecules: 36992886, pubchem: 56809446, mcule: MCULE-1597435303, molport: MolPort-020-102-309 OSA_000188 target: MurE, smilesparent: COC=1C=CC(NC(=O)C(SC=2N=C(N)N=C(N)N2)C(C)C)=CC1, inchikey: OPUPCLRLXRBVDZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z193603654, fragalysisref: MUREECA-x0366, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 13442869, pubchem: 17423172, mcule: MCULE-9174539079, molport: MolPort-005-547-712 OSA_000189 target: MurE, smilesparent: CC=1OC=2N=CNC(=O)C2C1C(=O)NCC=3C=CC=4OCCOC4C3, inchikey: GTJHDGRQCOREKP-UHFFFAOYSA-N, vendoridlabnotebookid: Z98622786, fragalysisref: MUREECA-x0367, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000061396678, emolecules: 35683197, pubchem: 53509132, mcule: MCULE-3733441139, molport: MolPort-019-642-881 OSA_000190 target: MurE, smilesparent: CC=1SC=2N=C(CSC3=NN=C(N)S3)N=C(N)C2C1C, inchikey: BGCMZBOBVZBOCL-UHFFFAOYSA-N, vendoridlabnotebookid: Z193659230, fragalysisref: MUREECA-x0368, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000008747375, emolecules: 11972612, pubchem: 17554526, mcule: MCULE-1937310901, molport: MolPort-003-313-468 OSA_000191 target: MurE, smilesparent: NS(=O)(=O)NCC1CCCN(C1)C=2N=CN=C3C=CSC23, inchikey: GCDVWSXMDBHTFJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1037453586, fragalysisref: MUREECA-x0369, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 35763511, pubchem: 53550060, mcule: MCULE-9304416449, molport: MolPort-010-431-262 OSA_000192 target: MurE, smilesparent: CC=1C=CC(NC2=NC(CN3C=NC(C#N)=N3)=CS2)=CC1C, inchikey: YDQLELBMYAISOE-UHFFFAOYSA-N, vendoridlabnotebookid: Z228466476, fragalysisref: MUREECA-x0370, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000097134842, pubchem: 86776610, mcule: MCULE-5776513581, molport: MolPort-030-007-242 OSA_000193 target: MurE, smilesparent: NC(=O)C1CCN(C1)C(=O)COC=2C=CC=C(OC=3C=CC=CN3)C2, inchikey: KOHGFYGMQWENOY-UHFFFAOYSA-N, vendoridlabnotebookid: Z666969462, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, emolecules: 37005196, pubchem: 56797164, mcule: MCULE-4648822802, molport: MolPort-020-062-715 OSA_000194 target: MurE, smilesparent: CC1=NN(CCO)C(C)=C1CNC2=NC=3C=CC(=CC3S2)[N+](=O)[O-], inchikey: NTXJAUKNXDNRBL-UHFFFAOYSA-N, vendoridlabnotebookid: Z1606797477, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL, zinc: ZINC000095990251, pubchem: 75446163, mcule: MCULE-3170556445, molport: MolPort-028-792-142 OSA_000195 target: MurE, smilesparent: N#CC=1C=CC(NC2CCC2)=CC1, inchikey: NESAEIGXYQOLME-UHFFFAOYSA-N, vendoridlabnotebookid: Z1148797578, fragalysisref: MUREECA-x0371, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000044480115, surechemblpatents: SCHEMBL15739641, pubchem: 61779466, molport: MolPort-011-673-438 OSA_000196 target: MurE, smilesparent: OC(=O)CC(NC(=O)C1=NNC=2CCCCC12)C=3C=CC(F)=CC3, inchikey: BPJDBBBFNXCBAC-UHFFFAOYSA-N, vendoridlabnotebookid: Z1443672196, fragalysisref: MUREECA-x0372, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 75418036, mcule: MCULE-1503927623, molport: MolPort-028-762-192 OSA_000197 target: MurE, smilesparent: N#CC=1C=CC(NCC2CC2)=CC1, inchikey: JIJRTGAJBVRNBE-UHFFFAOYSA-N, vendoridlabnotebookid: Z373231540, fragalysisref: MUREECA-x0373, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000019867456, pubchem: 28411090, molport: MolPort-004-371-502 OSA_000198 target: MurE, smilesparent: CN1N=CC=C1CNC=2C=C(N=CN2)N3CCCC(CO)C3, inchikey: HNCNSEXKWXEDCI-UHFFFAOYSA-N, vendoridlabnotebookid: Z1587166764, fragalysisref: MUREECA-x0374, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75442094, mcule: MCULE-8404568216, molport: MolPort-028-787-859 OSA_000199 target: MurE, smilesparent: O=C(NCC1=CSC(=O)N1)C2=NNC=3CCCCCC23, inchikey: FSAIHJASUIAEHU-UHFFFAOYSA-N, vendoridlabnotebookid: Z1834766073, fragalysisref: MUREECA-x0375, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000188160012, pubchem: 122145051, molport: MolPort-042-593-750 OSA_000200 target: MurE, smilesparent: CN(CCOC=1C=CC=C(C#N)C1)C=2N=CN=C3N=C(N)C=CC23, inchikey: BSMKNHSLHMVVNS-UHFFFAOYSA-N, vendoridlabnotebookid: Z1537141848, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000095976688, pubchem: 75434750, mcule: MCULE-1674441539, molport: MolPort-028-779-891 OSA_000201 target: MurE, smilesparent: CC=1C=CC=2NN=C(C(=O)N3CCCC(C3)C(=O)O)C2C1, inchikey: KGADMRYIGYNRGN-UHFFFAOYSA-N, vendoridlabnotebookid: Z928369420, fragalysisref: MUREECA-x0376, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 121562588, molport: MolPort-039-280-072 OSA_000202 target: MurE, smilesparent: CC(C)NC(=O)C=1C=CC=C(CNC=2N=C3C=CC=CC3=CC2CO)C1, inchikey: HBSLHFKVKFCTNZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1238969821, fragalysisref: MUREECA-x0377, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000077963488, pubchem: 75421711, mcule: MCULE-4952599784, molport: MolPort-028-766-369 OSA_000203 target: MurE, smilesparent: NC(=O)C=1C=NN2CCC(CNC=3N=CC(C#N)=CC3Cl)CC12, inchikey: NHNJSZHWRSSZSM-UHFFFAOYSA-N, vendoridlabnotebookid: Z1757791520, fragalysisref: MUREECA-x0378, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 120430999, molport: MolPort-042-556-074 OSA_000204 target: MurE, smilesparent: COC(=O)C=1C=CC(CSC=2N=C(N)C=3C=CSC3N2)=CC1, inchikey: RHJGIFAQOKZXDI-UHFFFAOYSA-N, vendoridlabnotebookid: Z166464456, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000025631088, emolecules: 24152844, pubchem: 32921072, mcule: MCULE-7247528113, molport: MolPort-005-550-618 OSA_000205 target: MurE, smilesparent: O=C(NC1CCCN(C1=O)C=2C=CC=NC2)C3=NNC=4C=CC=CC34, inchikey: NBAAVHNVMCWCGC-UHFFFAOYSA-N, vendoridlabnotebookid: Z1654253541, fragalysisref: MUREECA-x0379, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 84600889 OSA_000206 target: MurE, smilesparent: O=C(NC1CCCC=2NC(=O)C=CC12)C3=NNC=4C=CC=CC34, inchikey: UPBYNUAZKQYWHP-UHFFFAOYSA-N, vendoridlabnotebookid: Z283994004, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, emolecules: 36910509, pubchem: 56811130, mcule: MCULE-4766215210, molport: MolPort-020-108-730 OSA_000207 target: MurE, smilesparent: CN(CC1=NC(CS(=O)(=O)C)=NO1)C=2C=C(NN2)C=3C=CC=CC3, inchikey: RFJQDDDXSNFJPZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1298880666, fragalysisref: MUREECA-x0380, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000072600594, pubchem: 75423237, mcule: MCULE-1679517353, molport: MolPort-028-768-099 OSA_000208 target: MurE, smilesparent: CC(OC=1C=C(C)C=CC1C(=O)N)C2=NC(=NO2)C=3C=CC=CC3, inchikey: LNZNFCUTVWZKBO-UHFFFAOYSA-N, vendoridlabnotebookid: Z219152228, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, pubchem: 72059989, mcule: MCULE-2291472715, molport: MolPort-023-132-893 OSA_000209 target: MurE, smilesparent: COCC1=NSC(NC(=O)C=2C=CC=C3C=NNC23)=N1, inchikey: OOLCJXODQDBMET-UHFFFAOYSA-N, vendoridlabnotebookid: Z1658117319, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000096010948, pubchem: 75484688, mcule: MCULE-5973137909, molport: MolPort-028-955-490 OSA_000210 target: MurE, smilesparent: FC=1C=C(C#N)C=CC1CNC=2C=C(C=CC2Cl)N3CCNC3=O, inchikey: UXCCZGDLZGFGMB-UHFFFAOYSA-N, vendoridlabnotebookid: Z1185890576, fragalysisref: MUREECA-x0381, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000071900477, emolecules: 36973349, pubchem: 56788553, mcule: MCULE-3435559888, molport: MolPort-020-050-325 OSA_000211 target: MurE, smilesparent: CC=1OC(=NC1CC(=O)N2CCCCC2CC(=O)N)C=3C=CC=CC3, inchikey: ZKDPEKSLUQJKCF-UHFFFAOYSA-N, vendoridlabnotebookid: Z968578484, fragalysisref: MUREECA-x0382, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 35749719, pubchem: 53552127, mcule: MCULE-3652834334, molport: MolPort-019-674-678 OSA_000212 target: MurE, smilesparent: COC=1C=CC(C(=O)NC=2C=CC=C(C2)S(=O)(=O)N)=C(F)C1, inchikey: WNWTYMPVEVDCMI-UHFFFAOYSA-N, vendoridlabnotebookid: Z87528924, fragalysisref: MUREECA-x0383, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000007128199, pubchem: 8251178, mcule: MCULE-1512019946, molport: MolPort-005-556-718 OSA_000213 target: MurE, smilesparent: CCC1=CC(=O)N2N=C(NC(CO)CC=3C=CC=CC3)SC2=N1, inchikey: DPCLRDBHDIHUQY-UHFFFAOYSA-N, vendoridlabnotebookid: Z1127121867, fragalysisref: MUREECA-x0384, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 36337148, pubchem: 53553879, mcule: MCULE-9467049818, molport: MolPort-020-159-997 OSA_000214 target: MurE, smilesparent: O=C(NCC=1C=CC=NC1)C=2C=CC=3N4CCCC4C(=O)NC3C2, inchikey: GFYANOOSUCYXKE-UHFFFAOYSA-N, vendoridlabnotebookid: Z139931614, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, emolecules: 12013096, pubchem: 17435705, mcule: MCULE-3526354724, molport: MolPort-005-561-263 OSA_000215 target: MurE, smilesparent: CC(NC(=O)C=1NN=C2C=CC=CC12)C(=O)NC=3C=CC=CN3, inchikey: ZAIXUZSSZWZAGM-UHFFFAOYSA-N, vendoridlabnotebookid: Z1021200422, fragalysisref: MUREECA-x0385, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 32170193, pubchem: 51107835, mcule: MCULE-6663534245, molport: MolPort-009-589-200 OSA_000216 target: MurE, smilesparent: NC=1N=C(CN2CCNC(=O)C2)N=C3SC=4CCCCC4C13, inchikey: QYLHCBKWFBCAEJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z195604552, fragalysisref: MUREECA-x0386, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000053778749, emolecules: 13395969, pubchem: 16267838, mcule: MCULE-7647142574, molport: MolPort-005-568-010 OSA_000217 target: MurE, smilesparent: BrC1=CNC(=C1)C(=O)NC2CCCC=3NC(=O)C=CC23, inchikey: VCHJYACCYXTHHG-UHFFFAOYSA-N, vendoridlabnotebookid: Z283996420, fragalysisref: MUREECA-x0387, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 47150667, mcule: MCULE-4636777036, molport: MolPort-028-934-742 OSA_000218 target: MurE, smilesparent: NC=1N=C(CSC=2C=CC=CN2)N=C3SC=4CCCCC4C13, inchikey: HCTBWYDIGUOHIC-UHFFFAOYSA-N, vendoridlabnotebookid: Z167819734, fragalysisref: MUREECA-x0388, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL3988836, zinc: ZINC000012534032, emolecules: 13492329, pubchem: 17448860, mcule: MCULE-3221138555, molport: MolPort-005-578-303 OSA_000219 target: MurE, smilesparent: CC1=NN(C)C=2NC(=O)C(CCC(=O)N3CCNC(=O)CC3)=C(C)C12, inchikey: XUYHYEHGJONFLA-UHFFFAOYSA-N, vendoridlabnotebookid: Z908578022, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000084005152, pubchem: 136217168, mcule: MCULE-3553293934, molport: MolPort-027-700-993 OSA_000220 target: MurE, smilesparent: CC1=NN=C(SCC=2N=C(N)C=3C=CC=CC3N2)S1, inchikey: KEJMDYXSDSDYIH-UHFFFAOYSA-N, vendoridlabnotebookid: Z167849398, fragalysisref: MUREECA-x0389, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000012534215, emolecules: 13503762, pubchem: 17449939, mcule: MCULE-3508659743, molport: MolPort-005-579-495 OSA_000221 target: MurE, smilesparent: CC=1C=NN(CC2CN(CC=3N=C(N)C=4C=CC=CC4N3)CCO2)C1, inchikey: YVTLPFMBBHYFQI-UHFFFAOYSA-N, vendoridlabnotebookid: Z1141172409, fragalysisref: MUREECA-x0390, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL3496929, emolecules: 36355900, pubchem: 53568789, mcule: MCULE-8863920098, molport: MolPort-020-036-025 OSA_000222 target: MurE, smilesparent: CN(CC1=NC=2C=CSC2C(=O)N1)C(=O)CCC=3C=CC=CC3O, inchikey: QXNSDKHFIQVVHO-UHFFFAOYSA-N, vendoridlabnotebookid: Z229763982, fragalysisref: MUREECA-x0391, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, zinc: ZINC000014161484, emolecules: 13511976, pubchem: 135570394, mcule: MCULE-6857025946, molport: MolPort-005-586-111 OSA_000223 target: MurE, smilesparent: CN(CC(=O)NC=1C=C(C)C=CN1)CC=2N=C(N)C=3C=CC=CC3N2, inchikey: GJWDFRKNEXQYJK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1120822018, fragalysisref: MUREECA-x0392, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000069510308, emolecules: 36335254, pubchem: 53572839, mcule: MCULE-9061002683, molport: MolPort-020-157-966 OSA_000224 target: MurE, smilesparent: NC=1N=C(CN2C=NC(C#N)=N2)N=C3SC=4CCCCCC4C13, inchikey: IGYZCSLYSJYSNZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z228468632, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000012543110, emolecules: 13497372, pubchem: 17565712, mcule: MCULE-8178921732, molport: MolPort-005-587-944 OSA_000225 target: MurE, smilesparent: CC=1C=CC(=NN1)N2CCCN(CC2)C(=O)C3=NNC=4CCCC34, inchikey: TZSFUDFXGYIERG-UHFFFAOYSA-N, vendoridlabnotebookid: Z1139263618, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, chembl: CHEMBL3465321, zinc: ZINC000069512705, emolecules: 36343880, pubchem: 53573287, mcule: MCULE-9535037123, molport: MolPort-020-021-324 OSA_000226 target: MurE, smilesparent: NC(=O)C=1C=CC=C(CN2CCCC=3C=C(C=CC23)C(=O)N)C1, inchikey: MESFXWSEUDKRRI-UHFFFAOYSA-N, vendoridlabnotebookid: Z1665269287, fragalysisref: MUREECA-x0393, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000096012759, pubchem: 75455915, mcule: MCULE-9597296824, molport: MolPort-028-802-332 OSA_000227 target: MurE, smilesparent: C[C@H]1OCCN(CC2=CC(=NO2)C=3C=NN(C)C3C)[C@@H]1C(=O)N, inchikey: DOBGWKDJDXTRJC-YGRLFVJLSA-N, vendoridlabnotebookid: Z2058042499, fragalysisref: MUREECA-x0394, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, ligandbound: No, zinc: ZINC000284627751, pubchem: 128987045, molport: MolPort-039-170-691 OSA_000228 target: MurE, smilesparent: COCC1=NN(CC=2N=C(N)C=3C(C)=C(C)OC3N2)C(=O)O1, inchikey: XLMPJMMNKJVROZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1607387226, fragalysisref: MUREECA-x0395, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000095990904, pubchem: 75446528, mcule: MCULE-1039057327, molport: MolPort-028-792-527 OSA_000229 target: MurE, smilesparent: O=C(NCC1=NC=2C=CC=NC2N1)C3=NC=4C=CC=CC4C(=O)N3, inchikey: DAJGQWKKIBOCFY-UHFFFAOYSA-N, vendoridlabnotebookid: Z1981382941, fragalysisref: MUREECA-x0396, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000194610941, pubchem: 136539782, molport: MolPort-039-311-454 OSA_000230 target: MurE, smilesparent: NC(=O)C=1C=CC=CC1OC=2C=CC(NC(=O)C=3C=CNC(=O)C3)=CC2, inchikey: LYQRWCIOVURFLC-UHFFFAOYSA-N, vendoridlabnotebookid: Z1420563641, fragalysisref: MUREECA-x0397, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000095966151, pubchem: 75426809, mcule: MCULE-5318922698, molport: MolPort-028-771-713 OSA_000231 target: MurE, smilesparent: CC1=NC(=NN1)C(NCC2=CN(N=N2)C(C)(C)C)C=3C=CC=CC3, inchikey: OPRFPLHXXVRAPK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1841030291, fragalysisref: MUREECA-x0398, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 121549182, molport: MolPort-039-235-591 OSA_000232 target: MurE, smilesparent: OC(=O)C1CCC(CC1)NC(=O)C=2C=CC=C3C=CNC23, inchikey: QYLVIJLBMFVFKV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1603499135, fragalysisref: MUREECA-x0399, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000088731056, pubchem: 65672987, molport: MolPort-027-211-667 OSA_000233 target: MurE, smilesparent: COC=1C=CC=2C(NC(=O)[C@@H]3CCO[C@H]3C4=NC=CN4C)=NNC2C1, inchikey: LSSLHYOXYLRLQI-TZMCWYRMSA-N, vendoridlabnotebookid: Z2061995932, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL, zinc: ZINC000285248848, pubchem: 128989629, molport: MolPort-039-173-981 OSA_000234 target: MurE, smilesparent: OCCOC=1C=CC=C(N1)C2=NC=3C=CC(Cl)=CC3C(=O)N2, inchikey: AISKTDKLFIWMMC-UHFFFAOYSA-N, vendoridlabnotebookid: Z1646203992, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000096008347, pubchem: 136237181, mcule: MCULE-7045374715, molport: MolPort-028-800-222 OSA_000235 target: MurE, smilesparent: CC1=NNC=2C=C(NC(=O)CCC3=CNC=N3)C=CC12, inchikey: KLEMHKBTIGFGOB-UHFFFAOYSA-N, vendoridlabnotebookid: Z1952676944, fragalysisref: MUREECA-x0400, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 126766058 OSA_000236 target: MurE, smilesparent: CC1CCCN(C1)C=2N=C(NCCOCCO)N=C(N)C2[N+](=O)[O-], inchikey: FSINRBMQLKUIJM-UHFFFAOYSA-N, vendoridlabnotebookid: Z241744900, fragalysisref: MUREECA-x0401, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 4594686, pubchem: 3707451, mcule: MCULE-7373376973, molport: MolPort-000-493-293 OSA_000237 target: MurE, smilesparent: OC(=O)CC(NC(=O)CC1=NNC=2C=CC=CC12)C=3C=CC(F)=CC3, inchikey: PAYNCQDWNLZECW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1443672224, fragalysisref: MUREECA-x0402, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75513246, mcule: MCULE-8590847649, molport: MolPort-029-926-693 OSA_000238 target: MurE, smilesparent: OCC1CCCN1C=2C=C(NCC=3C=CC=4OCOC4C3)N=CN2, inchikey: OLKRQZYPSKFWTL-UHFFFAOYSA-N, vendoridlabnotebookid: Z1139194703, fragalysisref: MUREECA-x0403, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72144691, mcule: MCULE-9331650238, molport: MolPort-023-143-462 OSA_000239 target: MurE, smilesparent: NC=1N=C(CN2CCCCC2C3CNC(=O)C3)N=C4C=CC=CC14, inchikey: XLZYZOLGSYMBIQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1646424827, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL, pubchem: 75519997, mcule: MCULE-1123553818, molport: MolPort-029-933-270 OSA_000240 target: MurE, smilesparent: CC1=NN(C)C=2NN=C(NC(=O)CC=3C=CC(=CC3)[N+](=O)[O-])C12, inchikey: KHKWRIVOZQZHSP-UHFFFAOYSA-N, vendoridlabnotebookid: Z1205112089, fragalysisref: MUREECA-x0404, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, zinc: ZINC000072284915, pubchem: 136234903, mcule: MCULE-2564940206, molport: MolPort-023-153-224 OSA_000241 target: MurE, smilesparent: OC(=O)CC(NC(=O)C=1C=CC=C2C=NNC12)C=3C=CC(F)=CC3, inchikey: VWUZBAISKANYAX-UHFFFAOYSA-N, vendoridlabnotebookid: Z929744756, fragalysisref: MUREECA-x0405, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75526368, mcule: MCULE-8876354477 OSA_000242 target: MurE, smilesparent: CCCC=1C=C(NN1)C(=O)NCC=2C=CN=C(C2)N3C=CC=N3, inchikey: YDVMWUOIMPBGCJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z366649676, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL, zinc: ZINC000032402838, pubchem: 39619665, mcule: MCULE-5606071509, molport: MolPort-035-834-517 OSA_000243 target: MurE, smilesparent: CC(C)N1C=C(CN2CCCN(CC2)C(=O)C3=CC(Cl)=CN3)C=N1, inchikey: MAODWXHHLFMNTD-UHFFFAOYSA-N, vendoridlabnotebookid: Z1139290388, fragalysisref: MUREECA-x0406, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL3494855, zinc: ZINC000069534708, emolecules: 36345520, pubchem: 53577468, mcule: MCULE-1373757137, molport: MolPort-020-023-498 OSA_000244 target: MurE, smilesparent: NC=1N=C(NCCOCCO)N=C(NCC2CCCO2)C1[N+](=O)[O-], inchikey: JGKGFSBPVWJYGU-UHFFFAOYSA-N, vendoridlabnotebookid: Z245296262, fragalysisref: MUREECA-x0407, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL1570458, emolecules: 4617970, pubchem: 4919047, mcule: MCULE-4041933199, molport: MolPort-000-493-215, bindingdb: 69456 OSA_000245 target: MurE, smilesparent: CC=1C=C(NC(=O)CSC=2N=C(N)C=3C(C)=C(C)SC3N2)ON1, inchikey: PWNQBYDZMVVFNB-UHFFFAOYSA-N, vendoridlabnotebookid: Z1116579229, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Cracked, zinc: ZINC000069627014, emolecules: 36333626, pubchem: 53588873, mcule: MCULE-8741937317, molport: MolPort-020-079-971 OSA_000246 target: MurE, smilesparent: CC=1C=CC(C(=O)N)=C(OCC=2C=CC(C#N)=CC2F)C1, inchikey: IUXMZHLVFAYJCC-UHFFFAOYSA-N, vendoridlabnotebookid: Z217923492, fragalysisref: MUREECA-x0408, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000012870390, emolecules: 15256779, pubchem: 17486357, mcule: MCULE-1086308924, molport: MolPort-005-615-658 OSA_000247 target: MurE, smilesparent: NC(=O)C1CCCN1CC2=NC(=NO2)C=3C=CC=4OCOC4C3, inchikey: PHBJOQNIEXWREX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1032350050, fragalysisref: MUREECA-x0409, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 36316526, pubchem: 53578720, mcule: MCULE-5033339419, molport: MolPort-020-076-046 OSA_000248 target: MurE, smilesparent: NS(=O)(=O)C1=CC=C(CNC(=O)C2=NNC=3C=CC=CC23)S1, inchikey: XSQDBGSLDREJHX-UHFFFAOYSA-N, vendoridlabnotebookid: Z32864072, fragalysisref: MUREECA-x0410, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000012507159, emolecules: 15287308, pubchem: 24597805, mcule: MCULE-9340513904, molport: MolPort-004-546-622 OSA_000249 target: MurE, smilesparent: C(SC1=NNC(=N1)C=2C=CC=NC2)C3=NOC(=N3)C=4C=CSC4, inchikey: FGIHDIXATNJVBN-UHFFFAOYSA-N, vendoridlabnotebookid: Z1095449427, fragalysisref: MUREECA-x0411, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000069567691, emolecules: 36329452, pubchem: 53581056, mcule: MCULE-3563655279, molport: MolPort-020-152-690 OSA_000250 target: MurE, smilesparent: FC=1C=CC=CC1CNC(=O)C=2C=C(NN2)C=3C=CC=CC3, inchikey: XQABVGRMZFBJMK-UHFFFAOYSA-N, vendoridlabnotebookid: Z116884932, fragalysisref: MUREECA-x0412, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000007775187, emolecules: 16675746, pubchem: 17499235, mcule: MCULE-8458939375, molport: MolPort-005-627-924 OSA_000251 target: MurE, smilesparent: NC=1NN=C(CCCNC2=NC=3C=CC=CC3O2)C1C#N, inchikey: JEXLGOZWSOARGB-UHFFFAOYSA-N, vendoridlabnotebookid: Z642600410, fragalysisref: MUREECA-x0413, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000051400793, emolecules: 36275014, pubchem: 53529430, mcule: MCULE-2165585798, molport: MolPort-020-061-881 OSA_000252 target: MurE, smilesparent: CN(CC1=NC=2C=CC=CC2C(=O)N1)C(=O)CCC=3C=CC=CC3O, inchikey: MTLJICVSQYUMJV-UHFFFAOYSA-N, vendoridlabnotebookid: Z190123430, fragalysisref: MUREECA-x0414, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000012986524, emolecules: 16684242, pubchem: 135892358, mcule: MCULE-2710701464, molport: MolPort-005-630-639 OSA_000253 target: MurE, smilesparent: NC(=O)CCNC(=O)C=1C=CC=CC1NCC(=O)NC=2C=CC=CC2, inchikey: QUAUHHWSNXYETG-UHFFFAOYSA-N, vendoridlabnotebookid: Z1171353464, fragalysisref: MUREECA-x0415, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, zinc: ZINC000069618636, emolecules: 36360704, pubchem: 53587265, mcule: MCULE-2453653832, molport: MolPort-020-090-586 OSA_000254 target: MurE, smilesparent: COC=1C=CC=2C=C(CNC=3N=CN=C4NN=CC34)C=CC2C1, inchikey: GIMQWKIHAPEUAM-UHFFFAOYSA-N, vendoridlabnotebookid: Z237580922, fragalysisref: MUREECA-x0416, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000012574138, emolecules: 16744494, pubchem: 17523710, mcule: MCULE-6243980128, molport: MolPort-004-637-052 OSA_000255 target: MurE, smilesparent: COCCNC(=O)C(C)SCC=1N=C(N)C=2C=CC=CC2N1, inchikey: YXYPNOPUFJFYMQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1137690489, fragalysisref: MUREECA-x0417, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 36680693, pubchem: 53598593, mcule: MCULE-9043479625, molport: MolPort-020-083-361 OSA_000256 target: MurE, smilesparent: CN(CC1=NC=2C=CC=CC2C(=O)N1)C(=O)C3=CNC(=O)N3, inchikey: LWKTYUORGOYHMT-UHFFFAOYSA-N, vendoridlabnotebookid: Z101496686, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000012795886, emolecules: 16802959, pubchem: 135879257, mcule: MCULE-4002103908, molport: MolPort-005-751-523 OSA_000257 target: MurE, smilesparent: N#CCCN1N=CC=2C(NCC=3C=CNN3)=NC=NC12, inchikey: STCHGZSESVWZIV-UHFFFAOYSA-N, vendoridlabnotebookid: Z990878264, fragalysisref: MUREECA-x0418, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000097200004, pubchem: 86774291, mcule: MCULE-2804037340, molport: MolPort-030-003-633 OSA_000258 target: MurE, smilesparent: NC=1N=C(N)N=C(CN(CC=2C=CC=C(C2)C=3C=CC=NC3)C4CC4)N1, inchikey: RLDDLUONTHDVST-UHFFFAOYSA-N, vendoridlabnotebookid: Z1559477505, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000095981741, pubchem: 75470634, mcule: MCULE-3125056623 OSA_000259 target: MurE, smilesparent: OCC1CCCN1C=2C=C(NCCNC(=O)C=3C=NC=CN3)N=CN2, inchikey: BQRKFGAWLJAKFE-UHFFFAOYSA-N, vendoridlabnotebookid: Z1139198022, fragalysisref: MUREECA-x0419, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72144546, mcule: MCULE-3526487675, molport: MolPort-023-143-611 OSA_000260 target: MurE, smilesparent: OC(=O)CC(NC(=O)C=1C=CC=C2C=NNC12)C3=CC=CS3, inchikey: ULRCNWVSRTXZIK-UHFFFAOYSA-N, vendoridlabnotebookid: Z928843496, fragalysisref: MUREECA-x0420, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75480051, mcule: MCULE-7724879128, molport: MolPort-028-948-490 OSA_000261 target: MurE, smilesparent: CN1N=C2CCN(CC=3N=C(N)C=4C=CC=CC4N3)CC2=CC1=O, inchikey: CSLOQOLSQCKLPO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1272715826, fragalysisref: MUREECA-x0421, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, chembl: CHEMBL3460181, zinc: ZINC000072302439, pubchem: 72119478, mcule: MCULE-9923272511, molport: MolPort-023-169-276 OSA_000262 target: MurE, smilesparent: NC=1N=C(CSCC(=O)O)N=C2C=CC=CC12, inchikey: OPSWYGKIHTYDSZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1515325641, fragalysisref: MUREECA-x0422, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000036970337, pubchem: 43169813, mcule: MCULE-8578497139, molport: MolPort-013-301-643 OSA_000263 target: MurE, smilesparent: NC(=O)CCOC=1C=CC=CC1NC(=O)C2=CC=3C=CC=CC3N2, inchikey: GRAAAPCYHCJBDZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z737359742, fragalysisref: MUREECA-x0423, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000043270480, pubchem: 72154287, mcule: MCULE-3422112752 OSA_000264 target: MurE, smilesparent: CC(C)C1=CC(=NN1)C(=O)NC(CC(=O)O)C=2C=CC=CC2C, inchikey: GOVAXBXVNJVHLE-UHFFFAOYSA-N, vendoridlabnotebookid: Z1603697552, fragalysisref: MUREECA-x0424, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75472249, mcule: MCULE-8483738600, molport: MolPort-028-940-421 OSA_000265 target: MurE, smilesparent: COC(=O)C=1N=CN(CC=2N=C(N)C=3C=CC=CC3N2)N1, inchikey: YNJUANYBDGACKL-UHFFFAOYSA-N, vendoridlabnotebookid: Z1184934107, fragalysisref: MUREECA-x0425, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000072280959, pubchem: 72136868, mcule: MCULE-9210721035, molport: MolPort-023-150-908 OSA_000266 target: MurE, smilesparent: NC=1N=CN=C2N(CCCOC3=NN=C(O3)C=4C=CC=CC4)C=NC12, inchikey: SWLGWIOMGGWAPQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1614820320, fragalysisref: MUREECA-x0426, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000095993777, pubchem: 75472846, mcule: MCULE-2318185787 OSA_000267 target: MurE, smilesparent: [O-][N+](=O)C1=CC(CSC=2N=CN=C3NC=NC23)=CS1, inchikey: ZAPWVXRJSXLEOZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1227794655, fragalysisref: MUREECA-x0427, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000075140879, pubchem: 72041767, mcule: MCULE-8404068144, molport: MolPort-023-195-651 OSA_000268 target: MurE, smilesparent: NC=1N=C(NCCOCCO)N=C(N2CCCCCC2)C1[N+](=O)[O-], inchikey: XCOFLNKGTLFVNF-UHFFFAOYSA-N, vendoridlabnotebookid: Z295464032, fragalysisref: MUREECA-x0428, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL1542568, zinc: ZINC000004305942, emolecules: 4577136, pubchem: 3573667, mcule: MCULE-9608564331, molport: MolPort-000-492-799 OSA_000269 target: MurE, smilesparent: OC(=O)CC(NC(=O)C=1C=CC=C2C=CNC12)C3=CC=CS3, inchikey: IFUHSXAOGHUTQP-UHFFFAOYSA-N, vendoridlabnotebookid: Z1603232613, fragalysisref: MUREECA-x0429, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75512233, mcule: MCULE-8056391489, molport: MolPort-029-925-781 OSA_000270 target: MurE, smilesparent: NC=1N=C(CSCCN2C(=O)CNC2=O)N=C3C=CC=CC13, inchikey: WKTVEKABXSLZDB-UHFFFAOYSA-N, vendoridlabnotebookid: Z1137689711, fragalysisref: MUREECA-x0430, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000072275809, pubchem: 72144852, mcule: MCULE-6443712680, molport: MolPort-023-143-316 OSA_000271 target: MurE, smilesparent: O=C1NC(SCC2=NN=C(S2)C=3C=CC=CC3)=NC=4NN=CC14, inchikey: NVXSMFGXWHVRCT-UHFFFAOYSA-N, vendoridlabnotebookid: Z1697026833, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000097146461, pubchem: 136224663, mcule: MCULE-6403870161, molport: MolPort-029-937-103 OSA_000272 target: MurE, smilesparent: NC=1N=CN=C2N(CC(=O)NC=3C=CC=4OCCOC4C3)C=NC12, inchikey: KKYAPQDFGCHLHK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1143316964, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000072269957, pubchem: 72139669, mcule: MCULE-5215158218, molport: MolPort-023-148-293 OSA_000273 target: MurE, smilesparent: CN1N=CN=C1CNC=2C=CC=C(OC=3C=CC=CC3C(=O)N)C2, inchikey: APHZHFBYLBBHLY-UHFFFAOYSA-N, vendoridlabnotebookid: Z1385487152, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000086212974, pubchem: 75494943, mcule: MCULE-7585912713, molport: MolPort-029-908-661 OSA_000274 target: MurE, smilesparent: NC=1N=C(CSCC=2C=CON2)N=C(NC=3C=CC(F)=CC3)N1, inchikey: BNHHDZXMSQCZGJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1252790211, fragalysisref: MUREECA-x0431, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000077411487, pubchem: 72003023, mcule: MCULE-7264720416, molport: MolPort-028-283-500 OSA_000275 target: MurE, smilesparent: NC=1N=C(CSCC(=O)NC=2C=CC=C(F)C2)N=C3C=CC=CC13, inchikey: VSEPEZXVJYQREK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1137690726, fragalysisref: MUREECA-x0432, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000069743423, emolecules: 36680703, pubchem: 53601999, mcule: MCULE-9397134423, molport: MolPort-020-164-358 OSA_000276 target: MurE, smilesparent: NC(=O)C=1C=CC=C(NC(=O)CC2=CSC(=N2)N3CCCC3=O)C1, inchikey: VUFAKOUZGWLKLS-UHFFFAOYSA-N, vendoridlabnotebookid: Z95764039, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000012889675, emolecules: 18889839, pubchem: 25579951, mcule: MCULE-7733848461, molport: MolPort-009-372-603 OSA_000277 target: MurE, smilesparent: NC=1N=C(CSCC(=O)NCC2=CC=CS2)N=C3C=CC=CC13, inchikey: ZYNQJWZIIMPKHY-UHFFFAOYSA-N, vendoridlabnotebookid: Z1137690592, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000069744484, emolecules: 36680697, pubchem: 53602383, mcule: MCULE-7462852381, molport: MolPort-020-164-354 OSA_000278 target: MurE, smilesparent: COC=1C=CC(=CC1)C(=O)C(C)SC=2N=C(N)C=3C=CSC3N2, inchikey: UVSPCZMWBJLDFQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z335929974, fragalysisref: MUREECA-x0433, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 24055486, pubchem: 42891317, mcule: MCULE-7320402602, molport: MolPort-009-271-755 OSA_000279 target: MurE, smilesparent: NC(=O)C=1C=CN(N1)C=2C=CC=CC2NC(=O)C=3C=CC=4OCCC4C3, inchikey: GFILEYFHUYZTJN-UHFFFAOYSA-N, vendoridlabnotebookid: Z1203333452, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000069769701, emolecules: 36716271, pubchem: 53602836, mcule: MCULE-3593787251, molport: MolPort-020-093-459 OSA_000280 target: MurE, smilesparent: COC=1C=CC(OCCOC=2C=C(OC)C=CC2C(=O)N)=CC1, inchikey: XVACJMCOOSMLQA-UHFFFAOYSA-N, vendoridlabnotebookid: Z26325497, fragalysisref: MUREECA-x0434, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000032958213, emolecules: 23972150, pubchem: 40191688, mcule: MCULE-9337466231, molport: MolPort-009-252-197 OSA_000281 target: MurE, smilesparent: CC(C)OC=1C=CC(CSC2=NC=3NN=CC3C(=O)N2)=CC1, inchikey: PVKCVHZATSELSW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1024558214, fragalysisref: MUREECA-x0435, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000069772514, emolecules: 36661014, pubchem: 136171650, mcule: MCULE-6869532937, molport: MolPort-020-144-446 OSA_000282 target: MurE, smilesparent: COC=1C=C(C=CC1OCC=2N=C(N)N=C(N)N2)C(=O)C, inchikey: SUESHYXJHKZUKB-UHFFFAOYSA-N, vendoridlabnotebookid: Z107057210, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000015552510, emolecules: 24480345, pubchem: 26675814, mcule: MCULE-9379357545, molport: MolPort-009-383-315 OSA_000283 target: MurE, smilesparent: CC(SCC=1N=C(N)C=2C=CC=CC2N1)C(=O)NC=3C=C(C)ON3, inchikey: BEMXJGBIAFMUIX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1137690422, fragalysisref: MUREECA-x0436, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 36680689, pubchem: 53604389, mcule: MCULE-6757950927, molport: MolPort-020-083-360 OSA_000284 target: MurE, smilesparent: NC=1N=CC=NC1C(=O)NCC=2C=CC=3OCOC3C2, inchikey: OZDYTXUZKPCPCS-UHFFFAOYSA-N, vendoridlabnotebookid: Z211302198, fragalysisref: MUREECA-x0437, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, zinc: ZINC000032860437, emolecules: 33339666, pubchem: 40094421, mcule: MCULE-7967113511, molport: MolPort-009-427-306 OSA_000285 target: MurE, smilesparent: NC(=O)CCSC=1C=CC=CC1NC(=O)C=2C=CC=3OCOC3C2, inchikey: MPGAKTQQOQNVTQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1126905076, fragalysisref: MUREECA-x0438, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000069892679, emolecules: 36675119, pubchem: 53614455, mcule: MCULE-5729415668, molport: MolPort-020-081-394 OSA_000286 target: MurE, smilesparent: NC(=O)C=1C=CC(COC=2C=CC=CC2C(=O)N)=CC1, inchikey: HLCVWGOKHYWXAJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z165420976, fragalysisref: MUREECA-x0439, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL3105429, zinc: ZINC000016759181, emolecules: 24962431, pubchem: 27319973, mcule: MCULE-7710894101, molport: MolPort-009-408-951, bindingdb: 50445831 OSA_000287 target: MurE, smilesparent: COC=1C=CC(OCCSCC2=CC(=O)N3N=C(N)NC3=N2)=CC1, inchikey: YTQQEQSVBPVKJZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z959434124, fragalysisref: MUREECA-x0440, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000104085298, emolecules: 36653198, pubchem: 49312777, mcule: MCULE-7729136196, molport: MolPort-020-070-915 OSA_000288 target: MurE, smilesparent: O=C(CC1=NOC=2C=CC=CC12)NC=3C=CC=4OCC(=O)NC4C3, inchikey: CBPDVNDUBDEVDK-UHFFFAOYSA-N, vendoridlabnotebookid: Z99465328, fragalysisref: MUREECA-x0441, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000024345481, ibmip: CE20BE8DD7358877CCAC211E358C2759, surechemblpatents: SCHEMBL14073667, pubchem: 31752976, mcule: MCULE-8014681949, molport: MolPort-009-377-505 OSA_000289 target: MurE, smilesparent: NC(=O)CC=1C=CC=C(OCC2=NOC(=N2)C=3C=CC(F)=CC3)C1, inchikey: GGFHFOUQHDKFCA-UHFFFAOYSA-N, vendoridlabnotebookid: Z1162797985, fragalysisref: MUREECA-x0442, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000067099336, emolecules: 36706260, pubchem: 53621437, mcule: MCULE-9060458353, molport: MolPort-020-043-640 OSA_000290 target: MurE, smilesparent: CC1=NNC=2N=CC(NS(=O)(=O)C=3C=NC=4C=CSC4C3)=CC12, inchikey: FGHXXEPZRAHQCG-UHFFFAOYSA-N, vendoridlabnotebookid: Z1587738637, fragalysisref: MUREECA-x0443, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000097032943, pubchem: 75515625, mcule: MCULE-3118684277, molport: MolPort-029-928-898 OSA_000291 target: MurE, smilesparent: CCC1=NN(C)C=2NN=C(NC(=O)CCN3C=C(C=N3)[N+](=O)[O-])C12, inchikey: SLYQTSMXFGGZQF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1212628432, fragalysisref: MUREECA-x0444, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000072286140, pubchem: 136234925, mcule: MCULE-6138831382, molport: MolPort-023-154-133 OSA_000292 target: MurE, smilesparent: OC(=O)C(CNC(=O)C=1C=CC=C2C=CNC12)CC=3C=CC=CC3, inchikey: ZQKXVHBMJLTJHH-UHFFFAOYSA-N, vendoridlabnotebookid: Z1603513793, fragalysisref: MUREECA-x0445, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75516475, mcule: MCULE-4100917589, molport: MolPort-029-929-748 OSA_000293 target: MurE, smilesparent: CC=1NN=C(NC(=O)C=2C=CC=NC2O)C1C=3C=CC=4OCOC4C3, inchikey: NGWTUCSEOQARHI-UHFFFAOYSA-N, vendoridlabnotebookid: Z1287588443, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000072304826, pubchem: 72115710, mcule: MCULE-1887364579, molport: MolPort-023-173-150 OSA_000294 target: MurE, smilesparent: CC=1C=CC=CC1C(CC(=O)O)NC(=O)CC2=NNC=3C=CC=CC23, inchikey: DGQULAOZSIEMQP-UHFFFAOYSA-N, vendoridlabnotebookid: Z1603697938, fragalysisref: MUREECA-x0446, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 75516584, mcule: MCULE-5891049935, molport: MolPort-029-929-857 OSA_000295 target: MurE, smilesparent: COC=1C=C2N=C(NCC=3C=CC(C)=NC3)N=C(N)C2=CC1OC, inchikey: MXSOAVIGPMKMRH-UHFFFAOYSA-N, vendoridlabnotebookid: Z1172756805, fragalysisref: MUREECA-x0447, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL3458377, zinc: ZINC000078876466, pubchem: 72019208, mcule: MCULE-9860303743, molport: MolPort-028-267-051 OSA_000296 target: MurE, smilesparent: CCCCN(CC=1N=C(N)C=2C=CC=CC2N1)C3CCS(=O)(=O)C3, inchikey: VBBDZTODYSWBLZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1646361792, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, pubchem: 75519956, mcule: MCULE-8874086559, molport: MolPort-029-933-229 OSA_000297 target: MurE, smilesparent: OC=1C=CC=C(CCNC=2C=C3N=CNC(=O)C3=CC2[N+](=O)[O-])C1, inchikey: XOGMCJWETGHOEU-UHFFFAOYSA-N, vendoridlabnotebookid: Z1272279212, fragalysisref: MUREECA-x0448, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000072302086, pubchem: 136231671, mcule: MCULE-6289113967, molport: MolPort-023-168-545 OSA_000298 target: MurE, smilesparent: OC(=O)C(CC=1C=CC(F)=CC1)NC(=O)C=2C=CC=C3C=NNC23, inchikey: LPVPPQQCVRTRNK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1603657201, fragalysisref: MUREECA-x0449, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 75516559, mcule: MCULE-6436346006, molport: MolPort-029-929-832 OSA_000299 target: MurE, smilesparent: NC=1N=C(CSCC(=O)NCC(F)(F)F)N=C2C=CC=CC12, inchikey: IOROKUGPZYJRIE-UHFFFAOYSA-N, vendoridlabnotebookid: Z1137690433, fragalysisref: MUREECA-x0450, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000072275810, pubchem: 72144848, mcule: MCULE-2568504989, molport: MolPort-023-143-320 OSA_000300 target: MurE, smilesparent: CC(NC=1C=CC=C(C1)C(=O)N)C(=O)NC=2C=C(C)ON2, inchikey: JUCFULMMTLVDGY-UHFFFAOYSA-N, vendoridlabnotebookid: Z199215096, fragalysisref: MUREECA-x0451, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 24960259, pubchem: 45856278, mcule: MCULE-6929859316, molport: MolPort-009-395-236 OSA_000301 target: MurE, smilesparent: O=C(CNC(=O)C1=CC(=NN1)C2=CC=CS2)C3=CC=CO3, inchikey: GICVCMURNDYYIG-UHFFFAOYSA-N, vendoridlabnotebookid: Z1656606541, fragalysisref: MUREECA-x0452, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000097107455, pubchem: 75503727, mcule: MCULE-5309454941, molport: MolPort-029-917-159 OSA_000302 target: MurE, smilesparent: COC=1C=C2N=C(NCC=3C=C(C)ON3)N=C(N)C2=CC1OC, inchikey: DRACALUAHDMVSB-UHFFFAOYSA-N, vendoridlabnotebookid: Z1172987081, fragalysisref: MUREECA-x0453, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL3458379, zinc: ZINC000075610196, pubchem: 72137552, mcule: MCULE-1161286870, molport: MolPort-023-150-239 OSA_000303 target: MurE, smilesparent: CC(C)CC=1C=C(NN1)C(=O)NC2CCC(C2)C(=O)O, inchikey: NYXLTTWQSDVRRC-UHFFFAOYSA-N, vendoridlabnotebookid: Z1609713553, fragalysisref: MUREECA-x0454, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75498113, mcule: MCULE-4421599779, molport: MolPort-029-911-539 OSA_000304 target: MurE, smilesparent: NC(=O)CCSCC=1N=C(N)C=2C=CC=CC2N1, inchikey: GJRRATFTTUGBGS-UHFFFAOYSA-N, vendoridlabnotebookid: Z1137690090, fragalysisref: MUREECA-x0455, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000075584348, pubchem: 72144849, mcule: MCULE-8703564337, molport: MolPort-023-143-319 OSA_000305 target: MurE, smilesparent: O=C(CCCC1=NC=2C=CC=CC2C(=O)N1)NC3CCCCNC3=O, inchikey: POEGUKJABODEEZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z727556306, fragalysisref: MUREECA-x0456, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 136248764, mcule: MCULE-4840633605, molport: MolPort-029-907-203 OSA_000306 target: MurE, smilesparent: FC=1C=CC(CNC(=O)C2=NOC(CN3C=CC(=O)NC3=O)=N2)=CC1, inchikey: QMXPOTKICPLXJR-UHFFFAOYSA-N, vendoridlabnotebookid: Z1170065052, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000075609994, pubchem: 72138117, mcule: MCULE-5946058725, molport: MolPort-023-149-743 OSA_000307 target: MurE, smilesparent: NC=1N=C(CSCC(=O)NC2CCCC2)N=C3C=CC=CC13, inchikey: OMPXEWVDLGELFQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1137690438, fragalysisref: MUREECA-x0457, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000069973090, emolecules: 36680691, pubchem: 53621776, mcule: MCULE-7658359517, molport: MolPort-020-164-352 OSA_000308 target: MurE, smilesparent: CC=1SC=2N=C(COC=3C=CC=CC3C#N)N=C(N)C2C1C, inchikey: LMUCWTKOGKURBX-UHFFFAOYSA-N, vendoridlabnotebookid: Z193670946, fragalysisref: MUREECA-x0458, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000010394272, emolecules: 25647152, pubchem: 41479180, mcule: MCULE-5383852413, molport: MolPort-009-419-457 OSA_000309 target: MurE, smilesparent: NC(=O)C=1C=CC=CC1OCCN2C=NC=3C=CC=CC3C2=O, inchikey: VOBUOQRZQVRWRE-UHFFFAOYSA-N, vendoridlabnotebookid: Z1222455261, fragalysisref: MUREECA-x0459, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000071909988, emolecules: 36979972, pubchem: 56791847, mcule: MCULE-4697039494 OSA_000310 target: MurE, smilesparent: CC(N(C)CC=1C=NN(C)C1)C=2N=C(N)N=C(N2)N(C)C, inchikey: LWKZUSFPQHCJTJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z195767192, fragalysisref: MUREECA-x0460, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 25647440, pubchem: 42926111, mcule: MCULE-2904581397, molport: MolPort-009-421-066 OSA_000311 target: MurE, smilesparent: CC=1C=C(C)N(CC2CCCN2C(=O)CC3=NNC=4C=CC=CC34)N1, inchikey: DWXZUOCQBHIONV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1139323858, fragalysisref: MUREECA-x0461, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, emolecules: 36955325, pubchem: 56779576, mcule: MCULE-1128944719, molport: MolPort-020-026-055 OSA_000312 target: MurE, smilesparent: CC=1C=CC(NC2=NC(CN3CCNC(=O)C3)=CS2)=CC1, inchikey: AWSNBEUIHHSSKI-UHFFFAOYSA-N, vendoridlabnotebookid: Z46335179, fragalysisref: MUREECA-x0462, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000057761351, emolecules: 25629422, pubchem: 8592082, mcule: MCULE-2354791642, molport: MolPort-009-206-983 OSA_000313 target: MurE, smilesparent: CC1=CC(NC(=O)C(N2CCC(C2)C(=O)N)C=3C=CC=CC3)=NO1, inchikey: PJJQLQPMQMGUBL-UHFFFAOYSA-N, vendoridlabnotebookid: Z434059434, fragalysisref: MUREECA-x0463, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 35712828, pubchem: 53511787, mcule: MCULE-4285173803, molport: MolPort-019-656-736 OSA_000314 target: MurE, smilesparent: NC(=O)C=1C=CC(Cl)=CC1NCC=2C=CC(=CC2)N3C=CC=N3, inchikey: BORXPCIZRVMHCO-UHFFFAOYSA-N, vendoridlabnotebookid: Z368759930, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000025746367, emolecules: 25670745, pubchem: 33015590, mcule: MCULE-9136029725, molport: MolPort-009-294-548 OSA_000315 target: MurE, smilesparent: OCCN1N=CC=2C(NCCC=3C=CC=4OCOC4C3)=NC=NC12, inchikey: WWCVIVJWSZMHNK-UHFFFAOYSA-N, vendoridlabnotebookid: Z990848554, fragalysisref: MUREECA-x0464, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000097200385, pubchem: 86774120, mcule: MCULE-2399347277, molport: MolPort-030-003-463 OSA_000316 target: MurE, smilesparent: O=C(NC=1C=CC=C(OC=2C=NC=CN2)C1)C3=CC=4C=CC=CC4N3, inchikey: RCSJURFMZUUYII-UHFFFAOYSA-N, vendoridlabnotebookid: Z367145654, fragalysisref: MUREECA-x0465, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, zinc: ZINC000032818688, emolecules: 27412798, pubchem: 40053600, mcule: MCULE-2035828460, molport: MolPort-009-292-239 OSA_000317 target: MurE, smilesparent: NC=1NN=C(CCCNC=2N=CN=C3N(CCO)N=CC23)C1C#N, inchikey: QVDJGUZTFIPXLO-UHFFFAOYSA-N, vendoridlabnotebookid: Z990845858, fragalysisref: MUREECA-x0466, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000097200353, pubchem: 86774100, mcule: MCULE-5958668505, molport: MolPort-030-003-443 OSA_000318 target: MurE, smilesparent: COCC(C)NC(=O)CCC1=C(C)C=2C(C)=NN(C)C2NC1=O, inchikey: XWAHHSYAENHCKE-UHFFFAOYSA-N, vendoridlabnotebookid: Z370757596, fragalysisref: MUREECA-x0467, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 27416980, pubchem: 136015402, mcule: MCULE-7378353733, molport: MolPort-009-296-653 OSA_000319 target: MurE, smilesparent: CC1=NN(C)C=2NC(=O)C(CCC(=O)NCCC3=CC=CO3)=C(C)C12, inchikey: DWYBPVNKEVEBCC-UHFFFAOYSA-N, vendoridlabnotebookid: Z370820222, fragalysisref: MUREECA-x0468, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000047442492, emolecules: 35702278, pubchem: 136094316, mcule: MCULE-7179581664, molport: MolPort-019-651-669 OSA_000320 target: MurE, smilesparent: ClC=1C=CC=C(C1)C2=CC(=NN2)C(=O)NC3=NN=C(S3)C4CC4, inchikey: KQVMZPQRQSPPIY-UHFFFAOYSA-N, vendoridlabnotebookid: Z370478790, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000028963368, emolecules: 27416694, pubchem: 36130784, mcule: MCULE-2265071119, molport: MolPort-009-296-402 OSA_000321 target: MurE, smilesparent: OC=1C=CC=CC1C=2C=C(NN2)C(=O)NCC=3C=CC=4OCOC4C3, inchikey: RQAIYZOAUOYGES-UHFFFAOYSA-N, vendoridlabnotebookid: Z1213670840, fragalysisref: MUREECA-x0469, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000005343687, emolecules: 4686338, pubchem: 1953367, mcule: MCULE-9061455681, molport: MolPort-000-804-356 OSA_000322 target: MurE, smilesparent: NC=1N=C(NC2CCCN(CCO)C2=O)N=CC1[N+](=O)[O-], inchikey: CVCFZQTYPZPOPA-UHFFFAOYSA-N, vendoridlabnotebookid: Z1716589504, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, pubchem: 75509706, mcule: MCULE-7022651450, molport: MolPort-029-923-109 OSA_000323 target: MurE, smilesparent: COC=1C=CC(NC(=O)C2CCCN2C=3N=CN=C4NN=CC34)=CC1, inchikey: WXCWBSJTTPMQFO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1192076899, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, pubchem: 72136118, mcule: MCULE-4634093483, molport: MolPort-023-151-648 OSA_000324 target: MurE, smilesparent: CS(=O)(=O)CC=1C=CC(CNC(=O)C=2N=CC=NC2N)=CC1, inchikey: FUADWKWWWJDFBI-UHFFFAOYSA-N, vendoridlabnotebookid: Z757978954, fragalysisref: MUREECA-x0470, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000080424632, pubchem: 75493565, mcule: MCULE-7789948976, molport: MolPort-029-907-274 OSA_000325 target: MurE, smilesparent: CN1CCCN(CC1)C=2C=CC(C#N)=CC2Cl, inchikey: PEIQRDFWKKDICG-UHFFFAOYSA-N, vendoridlabnotebookid: Z1267773828, fragalysisref: MUREECA-x0471, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000062793617, emolecules: 36945292, ibmip: 8D22075113D7C6FD3399BC7E26249E0D, surechemblpatents: SCHEMBL580635, pubchem: 54595810, mcule: MCULE-4605718498, molport: MolPort-014-636-163 OSA_000326 target: MurE, smilesparent: O=C(CC1=NOC=2C=CC=CC12)NCCNC(=O)C3=CC=NN3, inchikey: GDNBMZRDCQCGRX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1633947241, fragalysisref: MUREECA-x0472, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000097079923, pubchem: 75500883, mcule: MCULE-7401851856, molport: MolPort-029-914-309 OSA_000327 target: MurE, smilesparent: CCC1=NC(=NO1)C2CCCN2C(=O)CC3=NNC=4C=CC=CC34, inchikey: NIDIKSAOFUNNAF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1268793772, fragalysisref: MUREECA-x0473, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72123208, mcule: MCULE-4527373884, molport: MolPort-023-165-393 OSA_000328 target: MurE, smilesparent: COC=1C=CC(OC)=C(C1)C2CCCN2CC=3N=C(N)N=C(N)N3, inchikey: CFWQVJIJODGVOC-UHFFFAOYSA-N, vendoridlabnotebookid: Z98478092, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, emolecules: 3512518, pubchem: 16256271, mcule: MCULE-3221540242, molport: MolPort-005-510-582 OSA_000329 target: MurE, smilesparent: CC(NC=1N=CC([N+](=O)[O-])=C(N)N1)C=2C=CC(=CC2)N3C=CC=N3, inchikey: PVBGJWQQPVFHCE-UHFFFAOYSA-N, vendoridlabnotebookid: Z1281746494, fragalysisref: MUREECA-x0474, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72117022, mcule: MCULE-5160461896, molport: MolPort-023-171-822 OSA_000330 target: MurE, smilesparent: CCS(=O)(=O)CC(C)N(C)CC=1N=C(N)C=2C=CC=CC2N1, inchikey: YQXLRNMLLQCAMO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1646280879, fragalysisref: MUREECA-x0475, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75502327, mcule: MCULE-5601918297, molport: MolPort-029-915-755 OSA_000331 target: MurE, smilesparent: CC(NC=1N=CC([N+](=O)[O-])=C(N)N1)C=2C=CC=C(C2)N3C=CN=C3, inchikey: DWKIGSGCWRPBDW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1272649563, fragalysisref: MUREECA-x0476, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72119868, mcule: MCULE-8064289859, molport: MolPort-023-168-877 OSA_000332 target: MurE, smilesparent: CC=1N=CNC(=O)C1CCC(=O)NC2=NC(=CS2)C=3C=CC=NC3, inchikey: ZFABXRUBNMWUBX-UHFFFAOYSA-N, vendoridlabnotebookid: Z361977892, fragalysisref: MUREECA-x0477, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000032814933, emolecules: 27407628, pubchem: 135933507, mcule: MCULE-8793882874, molport: MolPort-009-286-956 OSA_000333 target: MurE, smilesparent: CS(=O)CC=1C=CC=CC1NC(=O)C2=CC=3C=C(F)C=CC3N2, inchikey: UYTORZUPCFCUQC-UHFFFAOYSA-N, vendoridlabnotebookid: Z1695813672, fragalysisref: MUREECA-x0478, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, pubchem: 86794030, mcule: MCULE-9178161459, molport: MolPort-030-023-815 OSA_000334 target: MurE, smilesparent: CCN(C)C(=O)NC=1C=CC(C#N)=CC1, inchikey: SKGSJBXZBXQWRQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z642326440, fragalysisref: MUREECA-x0479, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72153817, mcule: MCULE-1703716793, molport: MolPort-023-136-360 OSA_000335 target: MurE, smilesparent: CC=1OC=2N=C(CN3C=NC(C#N)=C3C#N)N=C(N)C2C1C, inchikey: WRNYXKCEXZGHDR-UHFFFAOYSA-N, vendoridlabnotebookid: Z1696936165, fragalysisref: MUREECA-x0480, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000097379828, pubchem: 86794544, mcule: MCULE-2493217226, molport: MolPort-030-024-326 OSA_000336 target: MurE, smilesparent: CC=1C=C(ON1)C(=O)N2CCCC(C2)C=3C=C(NN3)C(F)(F)F, inchikey: JPHWZDMPUIURRF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1269691328, fragalysisref: MUREECA-x0481, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, chembl: CHEMBL3488975, pubchem: 71926903, mcule: MCULE-1268801524, molport: MolPort-023-234-569 OSA_000337 target: MurE, smilesparent: CS(=O)(=O)N1CCCN(CC=2N=C(N)N=C(N)N2)CC1, inchikey: FWVYGYQZADVEEZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z283666198, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000030694290, emolecules: 25661276, pubchem: 37835682, mcule: MCULE-6168677122, molport: MolPort-009-479-905 OSA_000338 target: MurE, smilesparent: CC(C)C1=NNC(=N1)C2CN(CCO2)C(=O)CCN3C=CN=N3, inchikey: GWOYZQJXGJOGSY-UHFFFAOYSA-N, vendoridlabnotebookid: Z1268776368, fragalysisref: MUREECA-x0482, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 71872824, mcule: MCULE-6183620935, molport: MolPort-023-233-530 OSA_000339 target: MurE, smilesparent: COC=1C=CC(NC2=NC(=CS2)C=3C=CC(O)=CC3O)=CC1, inchikey: XWOJNNBQCAPJOC-UHFFFAOYSA-N, vendoridlabnotebookid: Z48856940, fragalysisref: MUREECA-x0483, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000013141582, emolecules: 15213816, pubchem: 17391640, mcule: MCULE-3102222614, molport: MolPort-005-509-906 OSA_000340 target: MurE, smilesparent: FC=1C=CC(=CC1)C2=CC(=NN2)C(=O)NC3=NN=C(S3)C4CC4, inchikey: ZIMIMDBLTSHWIV-UHFFFAOYSA-N, vendoridlabnotebookid: Z370478792, fragalysisref: MUREECA-x0484, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000032826855, emolecules: 27416696, pubchem: 40062502, mcule: MCULE-9506505399, molport: MolPort-009-296-403 OSA_000341 target: MurE, smilesparent: CC=1C=CC(CNC(=O)C2=CC(=NN2)C=3C=C(C)C=C(C)C3O)=CC1, inchikey: XCYGMOCSLBGADA-UHFFFAOYSA-N, vendoridlabnotebookid: Z1213673036, fragalysisref: MUREECA-x0485, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, chembl: CHEMBL1386789, zinc: ZINC000013121734, emolecules: 4688202, pubchem: 1960233, mcule: MCULE-2163309108, networks: LSM-34836, molport: MolPort-000-787-209 OSA_000342 target: MurE, smilesparent: CCC1=NN=C(NC(=O)C=2C=C(NN2)C=3C=CC=CC3Cl)S1, inchikey: BYYOHVZCTUYRTI-UHFFFAOYSA-N, vendoridlabnotebookid: Z370477906, fragalysisref: MUREECA-x0486, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000028963187, pubchem: 36130561, mcule: MCULE-8321924235, molport: MolPort-009-636-441 OSA_000343 target: MurE, smilesparent: NC=1N=C(CN2N=CC=C2[N+](=O)[O-])N=C3C=CC=CC13, inchikey: ZVKCCMGFFXGHOF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1456352580, fragalysisref: MUREECA-x0487, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000089866714, pubchem: 71914273, mcule: MCULE-9911708670, molport: MolPort-027-667-465 OSA_000344 target: MurE, smilesparent: CC(C)C=1C=CC=C(NC(=O)C2=CC=3C=C(F)C=CC3N2)C1, inchikey: ULKUOJWWQCLGRI-UHFFFAOYSA-N, vendoridlabnotebookid: Z301140786, fragalysisref: MUREECA-x0488, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000032760091, pubchem: 39984221, mcule: MCULE-1016389144, molport: MolPort-009-629-118 OSA_000345 target: MurE, smilesparent: CC=1SC=2N=C(CN3C=NC(C#N)=N3)N=C(N)C2C1C, inchikey: KEMUZTYMAJDLSB-UHFFFAOYSA-N, vendoridlabnotebookid: Z228468614, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000014144400, pubchem: 25962303, mcule: MCULE-7311371540, molport: MolPort-011-977-356 OSA_000346 target: MurE, smilesparent: CC(NC(=O)C=1C=C(NN1)C=2C=CC=CC2)C3=NN=CN3C, inchikey: DBTBYWQAWAUOMB-UHFFFAOYSA-N, vendoridlabnotebookid: Z425548762, fragalysisref: MUREECA-x0489, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, emolecules: 27437814, pubchem: 42962239, mcule: MCULE-3922717793, molport: MolPort-009-321-476 OSA_000347 target: MurE, smilesparent: NC=1N=C(CSC2=NN=C(NC3CC3)S2)N=C4C=CC=CC14, inchikey: VJYNHIPXPAPOLG-UHFFFAOYSA-N, vendoridlabnotebookid: Z167927522, fragalysisref: MUREECA-x0490, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000018339510, emolecules: 29977855, pubchem: 27923925, mcule: MCULE-1457125490, molport: MolPort-009-144-608 OSA_000348 target: MurE, smilesparent: O=C(NC=1C=CC=C(NC(=O)C2=CC=3C=CC=CC3N2)C1)C4CC4, inchikey: GYRDJPQASNTHMO-UHFFFAOYSA-N, vendoridlabnotebookid: Z316734936, fragalysisref: MUREECA-x0491, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000029168754, emolecules: 27397254, pubchem: 36348341, mcule: MCULE-3820145843, molport: MolPort-009-259-597 OSA_000349 target: MurE, smilesparent: CC(NC(=O)CCC1=C(C)NC(=O)NC1=O)C=2C=CC=CN2, inchikey: ZCDZKAXTDXLMKO-UHFFFAOYSA-N, vendoridlabnotebookid: Z238018648, fragalysisref: MUREECA-x0492, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 31873182, pubchem: 45804288, mcule: MCULE-5170040544, molport: MolPort-009-529-075 OSA_000350 target: MurE, smilesparent: OC=1N=CC=CC1C(=O)NCC=2C=CC=NC2N3C=NC=N3, inchikey: BWJCCQVEIDYBCR-UHFFFAOYSA-N, vendoridlabnotebookid: Z423955510, fragalysisref: MUREECA-x0493, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000036392892, emolecules: 29572227, pubchem: 45894598, mcule: MCULE-6565034513, molport: MolPort-009-318-839 OSA_000351 target: MurE, smilesparent: O=C(NCC=1C=CC=2OCOC2C1)C=3C=CC=C(C3)N4CCNC4=O, inchikey: LXAHNIQMZRTVBB-UHFFFAOYSA-N, vendoridlabnotebookid: Z415212312, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000040527753, emolecules: 31950503, pubchem: 45821930, mcule: MCULE-8881929730, molport: MolPort-009-548-510 OSA_000352 target: MurE, smilesparent: NC(=O)C=1C=CC=C(C1)C(=O)NC(C2CCCC2)C3=CC=CS3, inchikey: XHOWWDHRXVLGAA-UHFFFAOYSA-N, vendoridlabnotebookid: Z408136572, fragalysisref: MUREECA-x0494, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 29578136, pubchem: 45887716, mcule: MCULE-3104771109, molport: MolPort-009-310-329 OSA_000353 target: MurE, smilesparent: O=C(NCC=1C=CC=NC1)C=2C=CC=C(C2)N3CCNC3=O, inchikey: VVUPJDKXHOHTHN-UHFFFAOYSA-N, vendoridlabnotebookid: Z415223258, fragalysisref: MUREECA-x0495, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, zinc: ZINC000040527863, emolecules: 31951667, pubchem: 45822073, mcule: MCULE-6538315987, molport: MolPort-009-548-654 OSA_000354 target: MurE, smilesparent: O=C1NC(SCCC=2C=CC=3OCCC3C2)=NC=4NN=CC14, inchikey: PRCOBYXOMLJKBU-UHFFFAOYSA-N, vendoridlabnotebookid: Z1783424244, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000097166077, pubchem: 136262840, mcule: MCULE-1850131356, molport: MolPort-029-924-746 OSA_000355 target: MurE, smilesparent: CC(NC=1N=CC([N+](=O)[O-])=C(N)N1)C=2C=CC=C(C2)N3C=NC=N3, inchikey: UDGMMLQZTXHIJO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1324017370, fragalysisref: MUREECA-x0496, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72109780, mcule: MCULE-9885960036, molport: MolPort-023-179-281 OSA_000356 target: MurE, smilesparent: NC(=O)C=1C(F)=CC=CC1OCCC=2C=CC=3OCCC3C2, inchikey: GLOZDLPWCCKZMG-UHFFFAOYSA-N, vendoridlabnotebookid: Z1783475778, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000097166080, pubchem: 75511366, mcule: MCULE-3178228655, molport: MolPort-029-924-749 OSA_000357 target: MurE, smilesparent: O=C(NC=1C=CC=C2C=NNC12)C=3C=CC=C(C3)N4CCCNC4=O, inchikey: HGYDWPSREWZOAY-UHFFFAOYSA-N, vendoridlabnotebookid: Z1329975813, fragalysisref: MUREECA-x0497, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000075092481, pubchem: 72108640, mcule: MCULE-7153343899, molport: MolPort-023-180-483 OSA_000358 target: MurE, smilesparent: CCC=1C=C(NN1)C(=O)NC2=NNC(CC=3C=CC=C(F)C3)=N2, inchikey: YDTPIMZDDVPJHN-UHFFFAOYSA-N, vendoridlabnotebookid: Z1637285222, fragalysisref: MUREECA-x0498, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000097080807, pubchem: 75501240, mcule: MCULE-6326232560, molport: MolPort-029-914-666 OSA_000359 target: MurE, smilesparent: CCCC1=NNC(=N1)C2CN(CCO2)C(=O)CC=3C=CC=NC3, inchikey: JFHZOLGDVUNWNI-UHFFFAOYSA-N, vendoridlabnotebookid: Z1268777463, fragalysisref: MUREECA-x0499, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 72123388, mcule: MCULE-7898365365, molport: MolPort-023-165-208 OSA_000360 target: MurE, smilesparent: CC1=NN(C)C=2NN=C(NC(=O)C=3C=CC=CC3N4C=CN=N4)C12, inchikey: GPXXMJXRKYBWQL-UHFFFAOYSA-N, vendoridlabnotebookid: Z1656164992, fragalysisref: MUREECA-x0500, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000097372449, pubchem: 136331458, mcule: MCULE-7842740653 OSA_000361 target: MurE, smilesparent: NC(=O)C1=CC(=NN1)C2CCCN(C2)C(=O)CCC=3C=CN=CC3, inchikey: GGUOBELKMWGSSM-UHFFFAOYSA-N, vendoridlabnotebookid: Z1269668088, fragalysisref: MUREECA-x0501, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, chembl: CHEMBL3487812, pubchem: 71927014, mcule: MCULE-5595295419, molport: MolPort-023-234-508 OSA_000362 target: MurE, smilesparent: COC=1C=CN=C(CSCC=2N=C(N)C=3C=CC=CC3N2)C1, inchikey: YIKCORGBKWTCMA-UHFFFAOYSA-N, vendoridlabnotebookid: Z1700536967, fragalysisref: MUREECA-x0502, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000097094901, pubchem: 86795549, mcule: MCULE-8488375049, molport: MolPort-030-025-335 OSA_000363 target: MurE, smilesparent: COCC1=NC(=CS1)C(=O)N2CCCC(C2)C=3C=C(NN3)C(=O)N, inchikey: USQPPGOWAVTNER-UHFFFAOYSA-N, vendoridlabnotebookid: Z1269676814, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, pubchem: 71871668, mcule: MCULE-9740933608, molport: MolPort-023-234-547 OSA_000364 target: MurE, smilesparent: NC(=O)CC1=CSC(NC(=O)CN2C=CC=CC2=O)=N1, inchikey: BEJYBGNHFZCZCN-UHFFFAOYSA-N, vendoridlabnotebookid: Z256910566, fragalysisref: MUREECA-x0503, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000025407189, pubchem: 24646040, mcule: MCULE-7202123269, molport: MolPort-004-618-330 OSA_000365 target: MurE, smilesparent: COC=1C=CC=CC1CN(C)C2=NC(=O)C=3C=NNC3N2, inchikey: ZKAVXYIJSYZDLD-UHFFFAOYSA-N, vendoridlabnotebookid: Z1725291463, fragalysisref: MUREECA-x0504, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000170598779, pubchem: 136349419, mcule: MCULE-5788950581, molport: MolPort-030-027-751 OSA_000366 target: MurE, smilesparent: CC1=NC(CC(=O)N2CCCC(C2)C=3C=C(NN3)C(=O)N)=CS1, inchikey: LDYXSQDRFIUZAK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1269659108, fragalysisref: MUREECA-x0505, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 71927093, mcule: MCULE-2828783929, molport: MolPort-023-234-475 OSA_000367 target: MurE, smilesparent: CCOC=1C=NC=C(N1)N2CCC(C2)N3C=CC(NC(=O)C)=N3, inchikey: KETRASCGFDGRNY-UHFFFAOYSA-N, vendoridlabnotebookid: Z1754369356, fragalysisref: MUREECA-x0506, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 129004483, molport: MolPort-039-189-661 OSA_000368 target: MurE, smilesparent: CC=1SC=2N=C(SCC=3C=CC=C(C3)[N+](=O)[O-])N=C(N)C2C1C, inchikey: GGOOLTYYMUEQEN-UHFFFAOYSA-N, vendoridlabnotebookid: Z336006826, fragalysisref: MUREECA-x0507, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000031822152, pubchem: 39049304, mcule: MCULE-6224911337, molport: MolPort-027-674-808 OSA_000369 target: MurE, smilesparent: CCCN1C=C(CN2CCCC2C3=NC(=NO3)C(=O)N)C=N1, inchikey: QSFKXRWNCZGQMJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1757876196, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, pubchem: 128999919, molport: MolPort-039-185-005 OSA_000370 target: MurE, smilesparent: COCC1=NOC(=N1)C=2C=CC=C(C2)C3=NNC(C)=N3, inchikey: PLTNJJASWPSGSF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1381360106, fragalysisref: MUREECA-x0508, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000085235744, pubchem: 71973499, mcule: MCULE-9772683945, molport: MolPort-028-313-128 OSA_000371 target: MurE, smilesparent: CN(CC=1C=C(C)ON1)C(=O)C=2C=CC=CC2OCC(=O)N, inchikey: LGDUZRHDHBGSCE-UHFFFAOYSA-N, vendoridlabnotebookid: Z375691710, fragalysisref: MUREECA-x0509, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000031115261, emolecules: 31913559, pubchem: 38303867, mcule: MCULE-2728366413, molport: MolPort-009-541-417 OSA_000372 target: MurE, smilesparent: OC=1C=CN=CC1NC(=O)C=2C=CC=C(NC(=O)C=3C=CC=NC3)C2, inchikey: QTVOSNOJGSQMAO-UHFFFAOYSA-N, vendoridlabnotebookid: Z595802756, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Precipitated, zinc: ZINC000040555057, emolecules: 32016684, pubchem: 45833008, mcule: MCULE-8915914182, molport: MolPort-009-073-257 OSA_000373 target: MurE, smilesparent: OC(=O)C=1C=CC=CC1CC(=O)NC=2C=CC=C(C2)N3CCNC3=O, inchikey: OFIYVDZJXUBKFW-UHFFFAOYSA-N, vendoridlabnotebookid: Z812954026, fragalysisref: MUREECA-x0510, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000044980407, emolecules: 32085064, pubchem: 45835417, mcule: MCULE-1200486455 OSA_000374 target: MurE, smilesparent: CN1C(CSC2=NC=3NN=CC3C(=O)N2)=CC(=O)N(C)C1=O, inchikey: UQSMWRRXWUHIBT-UHFFFAOYSA-N, vendoridlabnotebookid: Z359630092, fragalysisref: MUREECA-x0511, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000040505062, emolecules: 30020332, pubchem: 135982008, mcule: MCULE-7556587619, molport: MolPort-009-184-333 OSA_000375 target: MurE, smilesparent: OC(=O)CC(NC(=O)C=1C=C(NN1)C2CC2)C=3C=CC=CC3Cl, inchikey: OPSUHKKQUYKDMF-UHFFFAOYSA-N, vendoridlabnotebookid: Z372731156, fragalysisref: MUREECA-x0512, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 31910729, pubchem: 45814735, mcule: MCULE-2103085265, molport: MolPort-009-540-862 OSA_000376 target: MurE, smilesparent: NC(=O)CC1=CSC(NC(=O)CN2N=NC=3C=CC=CC23)=N1, inchikey: NVRXUJOGLYVTND-UHFFFAOYSA-N, vendoridlabnotebookid: Z221489362, fragalysisref: MUREECA-x0513, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000040481057, emolecules: 29986256, pubchem: 45802565, mcule: MCULE-8388579330, molport: MolPort-009-152-683 OSA_000377 target: MurE, smilesparent: CC(C)C1=CC(=NN1)C(=O)NC2CCN(CC2)C(=O)C, inchikey: BCIOPWAWCNMJPM-UHFFFAOYSA-N, vendoridlabnotebookid: Z463320776, fragalysisref: MUREECA-x0514, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000044966934, emolecules: 32003680, pubchem: 45830720, mcule: MCULE-9252733360, molport: MolPort-009-557-975 OSA_000378 target: MurE, smilesparent: CC1=NC(=NN1)C=2C=CC=C(NC(=O)CC3=NOC=4C=CC=CC34)C2, inchikey: HKTRAIWINYTMJT-UHFFFAOYSA-N, vendoridlabnotebookid: Z605714984, fragalysisref: MUREECA-x0515, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000040555282, emolecules: 32020460, pubchem: 45833283, mcule: MCULE-4920476534, molport: MolPort-009-074-676 OSA_000379 target: MurE, smilesparent: CC(C)(C)C1=CN2N=C(NCCCC3=NNC(N)=C3C#N)SC2=N1, inchikey: KVNVVEQXVINBIK-UHFFFAOYSA-N, vendoridlabnotebookid: Z728964912, fragalysisref: MUREECA-x0516, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000044978580, emolecules: 32042706, pubchem: 45834588, mcule: MCULE-1586318247, molport: MolPort-009-083-945 OSA_000380 target: MurE, smilesparent: O=C(NC=1C=CC=C(CN2C(=O)CNC2=O)C1)C3=CC=CS3, inchikey: BTMPFMDHUMHIBJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z366489576, fragalysisref: MUREECA-x0517, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000040510501, emolecules: 30025223, pubchem: 45813131, mcule: MCULE-9600972125, molport: MolPort-009-186-712 OSA_000381 target: MurE, smilesparent: NC(=O)CN1CCC(CC1)NC(=O)CC2=NNC(=O)C=3C=CC=CC23, inchikey: FTBRNUXRHDCQSZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z230019828, fragalysisref: MUREECA-x0518, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, zinc: ZINC000014482420, emolecules: 31870931, pubchem: 24610163, mcule: MCULE-1234847314, molport: MolPort-004-562-312 OSA_000382 target: MurE, smilesparent: CN1CCN(CC1)C(=O)C=2C=CC(N)=CC2, inchikey: WTBSUAXLZLAHPE-UHFFFAOYSA-N, vendoridlabnotebookid: Z763366252, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000000792378, emolecules: 2634563, ibmip: 28D06BF5A3336AB5224A542F2FAEE2D4, surechemblpatents: SCHEMBL110102, thomsonpharma: 124978201, pubchem: 231408, mcule: MCULE-8724436438, toxicologyresource: 55121-99-8, molport: MolPort-002-344-538, comptox: DTXSID20282720 OSA_000383 target: MurE, smilesparent: O=C1CNC(=O)N1CC=2C=CC(=CC2)C3=NC=4C=CSC4C(=O)N3, inchikey: HDFSTGQBTCGTKD-UHFFFAOYSA-N, vendoridlabnotebookid: Z666621402, fragalysisref: MUREECA-x0519, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, zinc: ZINC000044978340, emolecules: 32040980, pubchem: 136161076, mcule: MCULE-5675131954, molport: MolPort-009-083-170 OSA_000384 target: MurE, smilesparent: CC=1C=CC(=CC1C(=O)N)S(=O)(=O)N2CCNC(=O)C2, inchikey: MBULERIXLVIMJP-UHFFFAOYSA-N, vendoridlabnotebookid: Z369188228, fragalysisref: MUREECA-x0520, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000026752439, emolecules: 31906260, pubchem: 34034816, mcule: MCULE-6319558268, molport: MolPort-009-540-010 OSA_000385 target: MurE, smilesparent: CC(NC(=O)C=1C=CC=C(C1)N2CCNC2=O)C=3C=CC=NC3, inchikey: LCDXXGFDROUMHM-UHFFFAOYSA-N, vendoridlabnotebookid: Z415230368, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, emolecules: 31951713, pubchem: 45822087, mcule: MCULE-2142296241, molport: MolPort-009-548-664 OSA_000386 target: MurE, smilesparent: CCNC1=NC=C(S1)C(=O)NC2=NC=3C=C(F)C=CC3N2C, inchikey: OOTCKTGEMZFCHF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1464284046, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000097229088, pubchem: 86780326, mcule: MCULE-4810376947, molport: MolPort-030-010-623 OSA_000387 target: MurE, smilesparent: FC(F)(F)C1=CC(=NN1)C2CCCN(C2)C(=O)C3=CSN=N3, inchikey: WUYGAXIDNVGWKL-UHFFFAOYSA-N, vendoridlabnotebookid: Z1269695557, fragalysisref: MUREECA-x0521, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, pubchem: 71926889, mcule: MCULE-3017208992, molport: MolPort-023-234-580 OSA_000388 target: MurE, smilesparent: CC=1C=CN2C(NCC3=CC(C#N)=CS3)=NN=C2C1, inchikey: NGJACXUMOOJEIA-UHFFFAOYSA-N, vendoridlabnotebookid: Z1728584311, fragalysisref: MUREECA-x0522, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000125985484, pubchem: 86798785, mcule: MCULE-6110937018, molport: MolPort-030-028-531 OSA_000389 target: MurE, smilesparent: NC=1C=CN=C(CNC=2N=CN=C3N(N=CC23)C=4C=CC=CC4)N1, inchikey: JNMRBZJKAYVKLL-UHFFFAOYSA-N, vendoridlabnotebookid: Z1430528865, fragalysisref: MUREECA-x0523, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000079111676, pubchem: 71848683, mcule: MCULE-4722241815, molport: MolPort-023-246-616 OSA_000390 target: MurE, smilesparent: CC=1C=CC=CC1C(CC(=O)O)NC(=O)C=2C=CC=C3C=NNC23, inchikey: YMUGUUYKUGCOPF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1603698477, fragalysisref: MUREECA-x0524, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 86782575, mcule: MCULE-8691689777, molport: MolPort-030-012-626 OSA_000391 target: MurE, smilesparent: CC(NC(=O)CSC=1C=CC(O)=CC1)C=2C=CC=3NC(=O)CC3C2, inchikey: ZGBNOINTCDWXLS-UHFFFAOYSA-N, vendoridlabnotebookid: Z666182210, fragalysisref: MUREECA-x0525, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 71939817, mcule: MCULE-2719087287, molport: MolPort-023-229-588 OSA_000392 target: MurE, smilesparent: CN(CCCC1=NNC(N)=C1C#N)C2=NN=C(S2)C=3C=CC=CN3, inchikey: VEPWEAPNJLVBDT-UHFFFAOYSA-N, vendoridlabnotebookid: Z1679672955, fragalysisref: MUREECA-x0526, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000097137145, pubchem: 75522598, mcule: MCULE-7501915544, molport: MolPort-029-935-876 OSA_000393 target: MurE, smilesparent: CN(C)C(=O)N1CCN(CC=2N=C(N)C=3C(C)=C(C)OC3N2)CC1, inchikey: GLXGNSGBFPGNAG-UHFFFAOYSA-N, vendoridlabnotebookid: Z1434151429, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Cracked, zinc: ZINC000079112216, pubchem: 71847943, mcule: MCULE-5027900556, molport: MolPort-023-246-794 OSA_000394 target: MurE, smilesparent: CC(C(C)S(=O)(=O)C)N(C)CC=1N=C(N)C=2C=CC=CC2N1, inchikey: DXSOQOPJDPXIRX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1646281215, fragalysisref: MUREECA-x0527, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 86787247, mcule: MCULE-8415707850 OSA_000395 target: MurE, smilesparent: CCC=1NN=C(NCC2=CN(C)N=C2C=3C=CC=NC3)C1C, inchikey: WTPIBBXLKAFIKM-UHFFFAOYSA-N, vendoridlabnotebookid: Z1434063702, fragalysisref: MUREECA-x0528, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000079112176, pubchem: 71848008, mcule: MCULE-6030956818, molport: MolPort-023-246-778 OSA_000396 target: MurE, smilesparent: CCOC(=O)C1CCN(CC=2N=C(N)C=3C=CC=CC3N2)CC1, inchikey: ZZLZWPRPQQYGQX-UHFFFAOYSA-N, vendoridlabnotebookid: Z195558914, fragalysisref: MUREECA-x0529, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000027342824, emolecules: 29980549, pubchem: 34681318, mcule: MCULE-4051221239, molport: MolPort-009-147-360 OSA_000397 target: MurE, smilesparent: OC(=O)C=1C=CC=C(CNC(=O)C=2NN=CC2Br)C1, inchikey: RSAQLWVAFFQSSW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1599318716, fragalysisref: MUREECA-x0530, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000170065829, pubchem: 91647004, molport: MolPort-035-746-740 OSA_000398 target: MurE, smilesparent: CC(=O)NC1=NC(=CS1)C(=O)N2CCCC(C2)C=3C=C(C)NN3, inchikey: RHTNXCOWLAJYEO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1269732229, fragalysisref: MUREECA-x0531, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL3494278, pubchem: 71926749, mcule: MCULE-4470422243, molport: MolPort-027-658-788 OSA_000399 target: MurE, smilesparent: CN(C)C(=O)COC=1C=CC=C(CNC=2N=CN=C3N=CNC23)C1, inchikey: WURLMTWDVJAWIH-UHFFFAOYSA-N, vendoridlabnotebookid: Z646130978, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000052429433, pubchem: 60507231, mcule: MCULE-1199569268, molport: MolPort-028-488-978 OSA_000400 target: MurE, smilesparent: COC=1C=CC(=CC1)C2=NN(CC(=O)N)C(=O)C=3C=CC=CC23, inchikey: QCCXXLKJSVSEIK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1230738271, fragalysisref: MUREECA-x0532, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000089454013, pubchem: 24024387, mcule: MCULE-1899096335, molport: MolPort-027-656-001 OSA_000401 target: MurE, smilesparent: OC(=O)C=1C=CC=C(CNC(=O)CC2=NNC=3C=CC=CC23)C1, inchikey: NLFOKIZZEZJZPY-UHFFFAOYSA-N, vendoridlabnotebookid: Z1444935286, fragalysisref: MUREECA-x0533, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000170045203, pubchem: 91644946, molport: MolPort-035-745-024 OSA_000402 target: MurE, smilesparent: O=C(NC=1C=CC=2NN=NC2C1)C=3C=CC=CC3CN4C=NC=N4, inchikey: XWMZEKTTXQPNLQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1420694225, fragalysisref: MUREECA-x0534, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000089814055, pubchem: 71918382, mcule: MCULE-7930793671, molport: MolPort-027-909-031 OSA_000403 target: MurE, smilesparent: CN(CC1=CN=C(C)S1)CC=2N=C(N)C=3C=CC=CC3N2, inchikey: VMJDLUMRFBYUCJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z650324494, fragalysisref: MUREECA-x0535, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000044978038, emolecules: 32036340, pubchem: 45834397, mcule: MCULE-8894858951, molport: MolPort-009-081-184 OSA_000404 target: MurE, smilesparent: CC(O)CNC(=O)C1=CC(C)=NC2=C(C=NN12)C(=O)N, inchikey: BEGAPGUIKQPEMJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z730527164, fragalysisref: MUREECA-x0536, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, emolecules: 32046474, pubchem: 45834861, mcule: MCULE-3617316063, molport: MolPort-009-085-604 OSA_000405 target: MurE, smilesparent: CC=1C=CC(=CC1C(=O)N)S(=O)(=O)NCC2CCOC2, inchikey: UCZFMKUSXGTMNG-UHFFFAOYSA-N, vendoridlabnotebookid: Z414644216, fragalysisref: MUREECA-x0537, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 31950031, pubchem: 45821871, mcule: MCULE-3191957946, molport: MolPort-009-548-408 OSA_000406 target: MurE, smilesparent: CC(C=1N=C(N)N=C(N1)N(C)C)N2N=NC(=N2)C=3C=CC(C)=CC3, inchikey: GTFDVXSOWOONKO-UHFFFAOYSA-N, vendoridlabnotebookid: Z195777550, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, emolecules: 29980761, pubchem: 45800696, mcule: MCULE-6903258241, molport: MolPort-009-147-458 OSA_000407 target: MurE, smilesparent: O=C(NCCC1CCCO1)C=2C=CC=C(C2)N3CCNC3=O, inchikey: OGHQCAROCGMADT-UHFFFAOYSA-N, vendoridlabnotebookid: Z640965314, fragalysisref: MUREECA-x0538, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 32025149, pubchem: 45833493, mcule: MCULE-2081506292, molport: MolPort-009-076-346 OSA_000408 target: MurE, smilesparent: COC=1C=CC(=CC1)C2CCCN2C(=O)CC3=C(C)N=C(C)NC3=O, inchikey: PXLJFFUELNZVAG-UHFFFAOYSA-N, vendoridlabnotebookid: Z402670418, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, emolecules: 31933448, pubchem: 136059122, mcule: MCULE-2396895561 OSA_000409 target: MurE, smilesparent: CCC1=NOC(CSC=2N=C(N)C=3C(C)=C(C)SC3N2)=N1, inchikey: WUYSYEMTJIBQPR-UHFFFAOYSA-N, vendoridlabnotebookid: Z336009532, fragalysisref: MUREECA-x0539, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000031823577, emolecules: 30201607, pubchem: 39050730, mcule: MCULE-1850566106, molport: MolPort-009-177-657 OSA_000410 target: MurE, smilesparent: CC(C=1N=C(N)N=C(N1)N(C)C)N2N=NC(=N2)C=3C=CC(Cl)=CC3, inchikey: CSXHJZQEUXFBFA-UHFFFAOYSA-N, vendoridlabnotebookid: Z195777918, fragalysisref: MUREECA-x0540, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 29980763, pubchem: 45800697, mcule: MCULE-5907733697, molport: MolPort-007-352-716 OSA_000411 target: MurE, smilesparent: CC(C)(C)C1=NOC(CCC(=O)NC2=NN=CN2)=N1, inchikey: GXJDPBIGFRSMKW-UHFFFAOYSA-N, vendoridlabnotebookid: Z402773276, fragalysisref: MUREECA-x0541, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000044934066, emolecules: 31933542, pubchem: 45818405, mcule: MCULE-4440229430, molport: MolPort-009-047-769 OSA_000412 target: MurE, smilesparent: COC=1C=CC(NC(=O)C=2C=CC(C)=C(F)C2)=CC1S(=O)(=O)N, inchikey: FMBVXUIEICPVPJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z108232150, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000007961536, emolecules: 29969398, pubchem: 9088456, mcule: MCULE-5930824869, molport: MolPort-009-134-145 OSA_000413 target: MurE, smilesparent: O=C1COC=2C=CC(=CC2N1)S(=O)(=O)NCCN3C=CN=C3, inchikey: IBQQUTGLXRAPAY-UHFFFAOYSA-N, vendoridlabnotebookid: Z271357426, fragalysisref: MUREECA-x0542, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000042626455, emolecules: 31877738, pubchem: 45805913, mcule: MCULE-7566338910, molport: MolPort-009-530-887 OSA_000414 target: MurE, smilesparent: CC=1OC(=NC1CSC2=NC=3NN=CC3C(=O)N2)C=4C=CC=CC4, inchikey: KEBBAGJOOHRDTI-UHFFFAOYSA-N, vendoridlabnotebookid: Z359630102, fragalysisref: MUREECA-x0543, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, zinc: ZINC000040505065, emolecules: 30020334, pubchem: 135982009, mcule: MCULE-7228603344, molport: MolPort-009-184-334 OSA_000415 target: MurE, smilesparent: O=C(NCCNC1=NC=2C=CC=CC2S1)NC3CCCCNC3=O, inchikey: PWLDUEBGTVGHEU-UHFFFAOYSA-N, vendoridlabnotebookid: Z505783438, fragalysisref: MUREECA-x0544, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, emolecules: 32005786, pubchem: 51084225, mcule: MCULE-5147199215, molport: MolPort-009-558-678 OSA_000416 target: MurE, smilesparent: CC(NCC=1C=NC=2NN=C(C)C2C1)C=3C=CC=4OCCCOC4C3, inchikey: ZVESSAPPNLHWBQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z649943484, fragalysisref: MUREECA-x0545, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, emolecules: 36641404, pubchem: 53499069, mcule: MCULE-6814910009, molport: MolPort-020-118-811 OSA_000417 target: MurE, smilesparent: NC(=O)C=1C=CC=C(C1)C(=O)NCCNC=2C=NC=CN2, inchikey: YRWHPUIFYUBYCN-UHFFFAOYSA-N, vendoridlabnotebookid: Z372657268, fragalysisref: MUREECA-x0546, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, zinc: ZINC000048248047, emolecules: 31910699, pubchem: 51078595, mcule: MCULE-9415592115, molport: MolPort-009-540-850 OSA_000418 target: MurE, smilesparent: CN1C=NC=2CN(CCC2C1=O)C(=O)C=3C=CC=C4C=NNC34, inchikey: OHDHHJDTUAHCKG-UHFFFAOYSA-N, vendoridlabnotebookid: Z1757134012, fragalysisref: MUREECA-x0547, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000328628974, pubchem: 128999674, molport: MolPort-039-184-760 OSA_000419 target: MurE, smilesparent: COCCC1=NOC(=N1)C=2C=CC=C(C2)C3=NNC(C)=N3, inchikey: APRUCIXHPWYUEB-UHFFFAOYSA-N, vendoridlabnotebookid: Z1381359081, fragalysisref: MUREECA-x0548, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000085235677, pubchem: 71973503, mcule: MCULE-7992101430, molport: MolPort-028-313-124 OSA_000420 target: MurE, smilesparent: CC(C(=O)NC1=NNC=2C=CC(=CC12)C(F)(F)F)S(=O)(=O)C, inchikey: QHSSONBPDQQVIK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1833927283, fragalysisref: MUREECA-x0549, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 86819301, molport: MolPort-035-392-764 OSA_000421 target: MurE, smilesparent: CC=1C=CC(NC(=O)CCCC2=NC=3C=CC=CC3C(=O)N2)=CC1O, inchikey: OOUCFMWZDNJLCU-UHFFFAOYSA-N, vendoridlabnotebookid: Z1430614303, fragalysisref: MUREECA-x0550, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000084187910, pubchem: 136227500, mcule: MCULE-7045090950, molport: MolPort-027-683-743 OSA_000422 target: MurE, smilesparent: CN1C=C(C=N1)[C@H]2OCC[C@@H]2NC(=O)C3=CC(Cl)=CN3, inchikey: HIVBIIXIULRSCZ-CMPLNLGQSA-N, vendoridlabnotebookid: Z1756530754, fragalysisref: MUREECA-x0551, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000190030115, pubchem: 129004453, molport: MolPort-039-189-627 OSA_000423 target: MurE, smilesparent: NC=1N=C(CSCC=2C=CC(=CC2)N3C=CC=N3)N=C4C=CC=CC14, inchikey: IRLROTNNYIXRLQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z220516810, fragalysisref: MUREECA-x0552, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000074192266, pubchem: 71900202, mcule: MCULE-5158401359, molport: MolPort-027-713-525 OSA_000424 target: MurE, smilesparent: NC(=O)C1=NOC(=N1)C2CCCN2CC=3C=NN4C=CC=CC34, inchikey: NWNKOQLJUOWDPA-UHFFFAOYSA-N, vendoridlabnotebookid: Z1757876820, fragalysisref: MUREECA-x0553, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, pubchem: 128999908, molport: MolPort-039-184-994 OSA_000425 target: MurE, smilesparent: CC(C)(CNC=1N=CC([N+](=O)[O-])=C(N)N1)C=2C=CC=3OCOC3C2, inchikey: OOTZCQDEXRWYAV-UHFFFAOYSA-N, vendoridlabnotebookid: Z940779128, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000058554520, pubchem: 71882293, mcule: MCULE-8889914585, molport: MolPort-027-702-258 OSA_000426 target: MurE, smilesparent: COC=1C=CC(=CC1)C(NC2=NC(=O)C=3C=NNC3N2)C(C)C, inchikey: JQTBGCWWHRXATN-UHFFFAOYSA-N, vendoridlabnotebookid: Z1725304079, fragalysisref: MUREECA-x0554, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 136532495, molport: MolPort-035-750-370 OSA_000427 target: MurE, smilesparent: CC1=NN(C)C=2NN=C(NC(=O)CN3CCC=4SC=CC4C3)C12, inchikey: AYOJHQXZTPGLJY-UHFFFAOYSA-N, vendoridlabnotebookid: Z1205112321, fragalysisref: MUREECA-x0555, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000084066643, pubchem: 136224542, mcule: MCULE-5850734110, molport: MolPort-027-655-552 OSA_000428 target: MurE, smilesparent: N#CC=1C=CC=CC1CN2CCCC2, inchikey: SGOHCCLAFSXLCP-UHFFFAOYSA-N, vendoridlabnotebookid: Z55002275, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000004218302, emolecules: 2868335, surechemblpatents: SCHEMBL2229998, pubchem: 7130786, mcule: MCULE-1412182070, molport: MolPort-002-469-672, japanesechemicals: J418.396G, comptox: DTXSID30427867 OSA_000429 target: MurE, smilesparent: CNS(=O)(=O)CC=1C=CC(CNC(=O)C=2C=CNN2)=CC1, inchikey: ZSIFDKYQIMYBLO-UHFFFAOYSA-N, vendoridlabnotebookid: Z466715476, fragalysisref: MUREECA-x0556, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000044967018, emolecules: 32004072, pubchem: 45830787, mcule: MCULE-1634118913, molport: MolPort-009-558-037 OSA_000430 target: MurE, smilesparent: CC1=NC(COC=2C=CC=CC2C(=O)NC=3C=CC4=CNN=C4C3)=NO1, inchikey: JDDBTFSBTAXXGU-UHFFFAOYSA-N, vendoridlabnotebookid: Z1081524668, fragalysisref: MUREECA-x0557, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000171028453, pubchem: 122141269, mcule: MCULE-3985281811, molport: MolPort-042-589-947 OSA_000431 target: MurE, smilesparent: NC(=O)COC=1C=CC=C(NC(=O)C2=CC=3C=C(Cl)C=CC3N2)C1, inchikey: IHXYSKWQXNVDCW-UHFFFAOYSA-N, vendoridlabnotebookid: Z301431984, fragalysisref: MUREECA-x0558, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000046550234, emolecules: 31388990, pubchem: 46557728, mcule: MCULE-3786285759, molport: MolPort-007-300-635 OSA_000432 target: MurE, smilesparent: CCC1=CC(=O)N2N=C(OC=3C=C(C=CC3C)C(=O)N)SC2=N1, inchikey: IEFDSRZICDYAQE-UHFFFAOYSA-N, vendoridlabnotebookid: Z1127124609, fragalysisref: MUREECA-x0559, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000065589867, emolecules: 35770317, pubchem: 53548779, mcule: MCULE-3349077561, molport: MolPort-019-684-794 OSA_000433 target: MurE, smilesparent: OC(=O)C1=CC=C(CSC2=NN=C3NC=4C=CC=CC4N23)O1, inchikey: WILIJIXSLQYPNX-UHFFFAOYSA-N, vendoridlabnotebookid: Z224062218, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000012561276, emolecules: 16704172, pubchem: 25359113, mcule: MCULE-6079519510, molport: MolPort-005-760-631, brenda: 213732 OSA_000434 target: MurE, smilesparent: CC1(CCN(C1)C(=O)CCN2C(=O)NC(=O)C=3C=CC=CC23)C(=O)O, inchikey: SPUDRBZGSLLYKU-UHFFFAOYSA-N, vendoridlabnotebookid: Z1445591698, fragalysisref: MUREECA-x0560, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 119256924, molport: MolPort-039-281-018 OSA_000435 target: MurE, smilesparent: O=C1NCCCC1NCC=2C=CC=C(OCC=3C=CC=CN3)C2, inchikey: MYPMFUHOOGHMFZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1003932498, fragalysisref: MUREECA-x0561, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72025220, mcule: MCULE-6275439205, molport: MolPort-028-260-941 OSA_000436 target: MurE, smilesparent: COC=1C=CC(NC(C)C2CC2)=CC1, inchikey: RUKUPEYUUFJAQX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1029460372, fragalysisref: MUREECA-x0562, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 31391567, pubchem: 43196595, mcule: MCULE-1978336909, molport: MolPort-004-394-054, japanesechemicals: J3.569.615F OSA_000437 target: MurE, smilesparent: C(NC=1N=C(N=C2C=CC=CC12)C=3C=CC=NC3)C=4C=CNN4, inchikey: PMBYNRUHHYFWID-UHFFFAOYSA-N, vendoridlabnotebookid: Z644911980, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000058248800, emolecules: 31951019, pubchem: 51080519, mcule: MCULE-2872096259, molport: MolPort-009-548-594 OSA_000438 target: MurE, smilesparent: CN1CCN(CC1)C=2C=CC=NC2, inchikey: HBWGDGHGYGHWKD-UHFFFAOYSA-N, vendoridlabnotebookid: Z1837077123, fragalysisref: MUREECA-x0563, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL126517, zinc: ZINC000013470044, ibmip: 136CBAE6B59B5C0FA9690CF1A4A4D4C8, surechemblpatents: SCHEMBL732444, thomsonpharma: 15041977, pubchem: 10058072, mcule: MCULE-7308668616, molport: MolPort-004-799-440, japanesechemicals: J1.678.193B, comptox: DTXSID30434839 OSA_000439 target: MurE, smilesparent: FC=1C=CC(CNC2=NC=CN(C=3C=CC=C(Cl)C3)C2=O)=CC1, inchikey: JJRNOWYVIKCRCZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1157795830, fragalysisref: MUREECA-x0564, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000015732398, emolecules: 16273945, pubchem: 20941588, mcule: MCULE-6688759049, molport: MolPort-007-828-683 OSA_000440 target: MurE, smilesparent: C(NC=1C=CC=C(OC=2C=CC=CN2)C1)C=3C=CNN3, inchikey: SKWFMJZWLKCYDR-UHFFFAOYSA-N, vendoridlabnotebookid: Z1626044416, fragalysisref: MUREECA-x0565, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000097235408, pubchem: 86785148, mcule: MCULE-7072026604, molport: MolPort-030-015-012 OSA_000441 target: MurE, smilesparent: CCC1=NN(C)C=2NN=C(NC(=O)CC=3C=CC(=CC3)N4C=CC=N4)C12, inchikey: PSTZZPYHWVILPV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1212626878, fragalysisref: MUREECA-x0566, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000071908958, emolecules: 36978834, pubchem: 136082069, mcule: MCULE-1020119205, molport: MolPort-020-054-529 OSA_000442 target: MurE, smilesparent: O=C(N1CCCCC1C=2N=CNN2)C3=CN=C4C=CC=CN34, inchikey: GDDURWBDFBLSRN-UHFFFAOYSA-N, vendoridlabnotebookid: Z1603063499, fragalysisref: MUREECA-x0567, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75445701, mcule: MCULE-9108658204, molport: MolPort-028-791-657 OSA_000443 target: MurE, smilesparent: NC(=O)C1COCCN1CC=2C=CC(OCC=3C=CC=CC3F)=NC2, inchikey: JDKDHHWJQUFZBO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1731807231, fragalysisref: MUREECA-x0568, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 126791649, mcule: MCULE-5783003794, molport: MolPort-044-508-203 OSA_000444 target: MurE, smilesparent: O=C(N[C@H]1CCO[C@@H]1C=2C=CC=NC2)C3=NNC=4CCCC34, inchikey: UHONTERYKFBBRE-DZGCQCFKSA-N, vendoridlabnotebookid: Z1756624842, fragalysisref: MUREECA-x0569, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000275480414, pubchem: 120425206, molport: MolPort-039-169-993 OSA_000445 target: MurE, smilesparent: CC1OC=2C=CC(NC(=O)CC3=CN=CS3)=CC2NC1=O, inchikey: ORFLUJSEDLHVCW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1778594783, fragalysisref: MUREECA-x0570, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 126787013, molport: MolPort-044-504-849 OSA_000446 target: MurE, smilesparent: CC1=CC(=NN1)C(=O)NC(CCC(=O)O)C=2C=CC=CC2, inchikey: IADFSVCJXKPPNE-UHFFFAOYSA-N, vendoridlabnotebookid: Z1444478080, fragalysisref: MUREECA-x0571, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 64120255, molport: MolPort-020-890-828 OSA_000447 target: MurE, smilesparent: CC(C(=O)NC(C(=O)NC=1C=CNN1)C=2C=CC=CC2)C=3C=CC=CN3, inchikey: QRFCXRFBERTXDQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z2027574086, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, pubchem: 121526861, molport: MolPort-039-068-995 OSA_000448 target: MurE, smilesparent: CC(C)C(NC(=O)C=1C=CNN1)C2=NC(=NO2)C=3C=CC=CC3, inchikey: BGSKLWFIKFUIPA-UHFFFAOYSA-N, vendoridlabnotebookid: Z908179396, fragalysisref: MUREECA-x0572, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 36284550, pubchem: 53566222, mcule: MCULE-4707255006, molport: MolPort-020-129-382 OSA_000449 target: MurE, smilesparent: O=C(NC=1C=CC(=CC1)C2=NC=CO2)N3CCOCC3C=4N=CNN4, inchikey: RQTLPEIQEXFVJS-UHFFFAOYSA-N, vendoridlabnotebookid: Z2056670311, fragalysisref: MUREECA-x0573, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 121558799, molport: MolPort-039-266-389 OSA_000450 target: MurE, smilesparent: CN(CC1=NC=2C=CSC2C(=O)N1)C(=O)C3=NNC=4C=CC=CC34, inchikey: ZHOWASRMLWBRSH-UHFFFAOYSA-N, vendoridlabnotebookid: Z229769862, fragalysisref: MUREECA-x0574, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000014372338, emolecules: 35689912, pubchem: 135955570, mcule: MCULE-8985916574, molport: MolPort-019-646-092 OSA_000451 target: MurE, smilesparent: CC(NC(=O)C=1C=CNN1)C2=NC(=CS2)C=3C=CC=NC3, inchikey: AXYBNLYNANNSGF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1174947567, fragalysisref: MUREECA-x0575, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 36970269, pubchem: 56787018, mcule: MCULE-2530279866, molport: MolPort-020-048-451 OSA_000452 target: MurE, smilesparent: CC=1OC=2N=CNC(=O)C2C1C(=O)NCCC=3C=CC=4OCOC4C3, inchikey: FCYCNSLGZWKQJB-UHFFFAOYSA-N, vendoridlabnotebookid: Z98624459, fragalysisref: MUREECA-x0576, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000048286476, emolecules: 30679690, pubchem: 47009885, mcule: MCULE-4622108002, molport: MolPort-009-130-564 OSA_000453 target: MurE, smilesparent: COC=1C=CC(=CC1)C2CC2C(=O)NC3=NNC=4N(C)N=C(C)C34, inchikey: VKPCISZYMFGXTK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1205112379, fragalysisref: MUREECA-x0577, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 136224543, mcule: MCULE-2535911465, molport: MolPort-027-655-553 OSA_000454 target: MurE, smilesparent: COC=1C=CC(=CC1)C2=NN=C(COC=3C=CC=CC3C(=O)N)O2, inchikey: ZOSVXIGJIGPBRQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z167725780, fragalysisref: MUREECA-x0578, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000018258859, emolecules: 31355224, pubchem: 27908480, mcule: MCULE-7893195128, molport: MolPort-009-144-505 OSA_000455 target: MurE, smilesparent: CC(C(=O)NC=1C=CC=C(NCC=2C=CNN2)C1)N3C=CC=N3, inchikey: LYVZVUWKZBVCJN-UHFFFAOYSA-N, vendoridlabnotebookid: Z1462270658, fragalysisref: MUREECA-x0579, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 71913696, mcule: MCULE-8509809108, molport: MolPort-027-915-235 OSA_000456 target: MurE, smilesparent: NC=1N=C(SCC=2N=CON2)N=C3SC=4CCCCC4C13, inchikey: NUPBCZMBZJODGA-UHFFFAOYSA-N, vendoridlabnotebookid: Z193733986, fragalysisref: MUREECA-x0580, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000012543396, emolecules: 13501788, pubchem: 17459835, mcule: MCULE-7314981949, molport: MolPort-005-589-952 OSA_000457 target: MurE, smilesparent: COC=1C=CC(=CC1)N2C=C(CNC=3C=NNC(=O)C3Cl)N=N2, inchikey: SFLCRRPDWRHUFH-UHFFFAOYSA-N, vendoridlabnotebookid: Z1396661910, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000088740504, pubchem: 71921414, mcule: MCULE-1682419911, molport: MolPort-027-906-000 OSA_000458 target: MurE, smilesparent: CCN(CC1=NC=2C=CC=CC2C(=O)N1)C(=O)C3=NNC=4C=CC=CC34, inchikey: ABYMLFGSROKQRO-UHFFFAOYSA-N, vendoridlabnotebookid: Z84959970, fragalysisref: MUREECA-x0581, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000012507016, emolecules: 15279184, pubchem: 135875208, mcule: MCULE-2120628379, molport: MolPort-005-618-915 OSA_000459 target: MurE, smilesparent: CCC=1C=C(NN1)C(=O)NC2CCN(C2)C(=O)C=3C=CC=CN3, inchikey: WTFMTSGNDPJOKA-UHFFFAOYSA-N, vendoridlabnotebookid: Z1467080296, fragalysisref: MUREECA-x0582, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 71967916, mcule: MCULE-1505314017, molport: MolPort-028-318-698 OSA_000460 target: MurE, smilesparent: CC1=CC(=NN1)C2CCCN(C2)C(=O)CCN3C=CC=CC3=O, inchikey: PXXVUBYFMCSGIW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1269729596, fragalysisref: MUREECA-x0583, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 71926835, mcule: MCULE-8307389755, molport: MolPort-023-234-605 OSA_000461 target: MurE, smilesparent: NC=1N=C(COC=2C=CC=CC2C#N)N=C3C=CC=CC13, inchikey: RAKQOUCFMCNIKK-UHFFFAOYSA-N, vendoridlabnotebookid: Z167812982, fragalysisref: MUREECA-x0584, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000012565065, emolecules: 16736284, pubchem: 17520744, mcule: MCULE-4626682502, molport: MolPort-005-648-463 OSA_000462 target: MurE, smilesparent: OC(=O)CC1CN(CCO1)C(=O)C=2C=C(NN2)C3=CC=CS3, inchikey: SLLFQNBIZZJERK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1603549284, fragalysisref: MUREECA-x0585, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 120200707, molport: MolPort-039-279-176 OSA_000463 target: MurE, smilesparent: CC(C)N(CC1=NC=2C=CC=CC2C(=O)N1)C(=O)C=3C=CC=NC3O, inchikey: QFUNQRRVGVEYKH-UHFFFAOYSA-N, vendoridlabnotebookid: Z991890658, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, ligandbound: No, zinc: ZINC000069444390, emolecules: 36297024, pubchem: 136044772, mcule: MCULE-1581342931, molport: MolPort-020-072-469 OSA_000464 target: MurE, smilesparent: CC(SC=1N=C(N)C=2C(C)=C(C)SC2N1)C(=O)NC(=O)N, inchikey: WTSJERLWGZTBTC-UHFFFAOYSA-N, vendoridlabnotebookid: Z324593550, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, ligandbound: No, emolecules: 18874436, pubchem: 42887560, mcule: MCULE-9583481958, molport: MolPort-009-265-798 OSA_000465 target: MurE, smilesparent: CCS(=O)(=O)NC=1C=CC=CC1C(=O)NC=2C=CC3=CNN=C3C2, inchikey: ZQBMOFIEBUKSCZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1081521234, fragalysisref: MUREECA-x0586, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000068098479, emolecules: 36325078, pubchem: 53563729, mcule: MCULE-2578012274, molport: MolPort-020-077-979 OSA_000466 target: MurE, smilesparent: COC=1C=CC(COC=2C=CC=CC2C(=O)N)=CC1, inchikey: MBNPKROFKLVMHP-UHFFFAOYSA-N, vendoridlabnotebookid: Z199942268, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000012894867, emolecules: 13947074, pubchem: 15570224, mcule: MCULE-7772123768, molport: MolPort-009-423-982, japanesechemicals: J1.587.307H, comptox: DTXSID40877778 OSA_000467 target: MurE, smilesparent: O=C(NCC1=NC(=CN1)C=2C=CC=C(C#N)C2)C3CCCC=4NN=CC34, inchikey: ZJEWDCOQHLVSIO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1549126187, fragalysisref: MUREECA-x0587, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 121558661, molport: MolPort-039-265-721 OSA_000468 target: MurE, smilesparent: COCC1=NN(CC2=CSC(NC=3C=CC=CC3)=N2)C(=O)O1, inchikey: ZOTVFRPEHVUDCL-UHFFFAOYSA-N, vendoridlabnotebookid: Z1544958954, fragalysisref: MUREECA-x0588, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000095448547, pubchem: 75436027, mcule: MCULE-9002852475, molport: MolPort-028-781-221 OSA_000469 target: MurE, smilesparent: CC(C)C(NC1=NN2C=C(C)N=C2S1)C3=NC(=NO3)C4=NN=CN4, inchikey: FSKMORYVYLPJMV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1498266805, fragalysisref: MUREECA-x0589, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, pubchem: 71911142, mcule: MCULE-3305140892, molport: MolPort-027-669-336 OSA_000470 target: MurE, smilesparent: CCC1=NC(CN2CCCC(C2)C=3C=C(NN3)C(=O)N)=NO1, inchikey: VIOMSKNUVQWZCC-UHFFFAOYSA-N, vendoridlabnotebookid: Z1269657050, fragalysisref: MUREECA-x0590, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 71871694, mcule: MCULE-6236462228, molport: MolPort-023-234-461 OSA_000471 target: MurE, smilesparent: CC1=CN2N=C(NCCC3=NNC(=O)N3)SC2=N1, inchikey: MSBKYJXQVHVGLT-UHFFFAOYSA-N, vendoridlabnotebookid: Z1317591805, fragalysisref: MUREECA-x0591, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000072307654, pubchem: 136217355, mcule: MCULE-9426352983, molport: MolPort-023-176-833 OSA_000472 target: MurE, smilesparent: C1CC(C2=NOC(=N2)C=3C=CC=C4C=CNC34)C=5C=CC=CC5C1, inchikey: FUPBUJYLYPWEGQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1649198766, fragalysisref: MUREECA-x0592, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, pubchem: 75454245, mcule: MCULE-9360124733, molport: MolPort-028-800-593 OSA_000473 target: MurE, smilesparent: NC(=O)CCN(C(=O)CN1C=NC(C#N)=N1)C=2C=CC(F)=CC2, inchikey: JSDRMSKDJGYVSM-UHFFFAOYSA-N, vendoridlabnotebookid: Z228468538, fragalysisref: MUREECA-x0593, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000014144380, emolecules: 31369867, pubchem: 25962289, mcule: MCULE-4315488031, molport: MolPort-009-157-321 OSA_000474 target: MurE, smilesparent: CCC1=NN=C2CCC(CNC(C(=O)N)C=3C=CC=CC3)CN12, inchikey: QFRVVNMOACUOHV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1139419618, fragalysisref: MUREECA-x0594, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 36956371, pubchem: 56780100, mcule: MCULE-8997800204, molport: MolPort-020-029-282 OSA_000475 target: MurE, smilesparent: CN(C)C=1N=C(N)N=C(CN2C=NC=3C=CC=CC3C2=O)N1, inchikey: FAIMCAQQNHKXCW-UHFFFAOYSA-N, vendoridlabnotebookid: Z168931710, fragalysisref: MUREECA-x0595, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000012414067, emolecules: 8316027, pubchem: 17175040, mcule: MCULE-7910683485, molport: MolPort-004-955-955 OSA_000476 target: MurE, smilesparent: CCC1=CC(=NN1)C(=O)NC(CC(=O)O)C=2C=CC(F)=CC2, inchikey: YPNAQIZPBOAXER-UHFFFAOYSA-N, vendoridlabnotebookid: Z1443671489, fragalysisref: MUREECA-x0596, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, pubchem: 75495496, mcule: MCULE-1876781240, molport: MolPort-029-909-170 OSA_000477 target: MurE, smilesparent: O=C(NCCN1N=C2C=CC=CN2C1=O)C=3C=C(NN3)C4CC4, inchikey: DMFCROWOBHMEEL-UHFFFAOYSA-N, vendoridlabnotebookid: Z816643200, fragalysisref: MUREECA-x0597, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL3493795, zinc: ZINC000057240407, emolecules: 35735665, pubchem: 53501444, mcule: MCULE-1457333777, molport: MolPort-019-667-811 OSA_000478 target: MurE, smilesparent: CC(=O)NC=1C=CN(N1)C2CCN(CC=3SC=NC3C)C2, inchikey: IZLDYAVVVRLGSX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1757700501, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, pubchem: 128995119, molport: MolPort-039-179-980 OSA_000479 target: MurE, smilesparent: O=C1CNC(=O)N1CC2=NC(=CS2)C=3C=CC=4OCCOC4C3, inchikey: WPOPQDNGDFEWSL-UHFFFAOYSA-N, vendoridlabnotebookid: Z840914790, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000058162794, emolecules: 32102236, pubchem: 47078171, mcule: MCULE-6088588470, molport: MolPort-009-104-328 OSA_000480 target: MurE, smilesparent: O=C(N[C@H]1CCO[C@@H]1C=2C=CC=NC2)C3=NNC=4C=CC=CC34, inchikey: SNVOKOJMMXFBCV-GOEBONIOSA-N, vendoridlabnotebookid: Z1756623868, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000299745807, pubchem: 120425192, molport: MolPort-039-170-009 OSA_000481 target: MurE, smilesparent: CN(C)C=1N=C(N)N=C(COC=2C=CC=C(C2)C3=NN=CO3)N1, inchikey: QEIPFWHQPNGDBG-UHFFFAOYSA-N, vendoridlabnotebookid: Z356378012, fragalysisref: MUREECA-x0598, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000029752372, emolecules: 31397610, pubchem: 36994373, mcule: MCULE-7677383222, molport: MolPort-009-183-191 OSA_000482 target: MurE, smilesparent: FC=1C=CC(OC=2C=CC(CNC=3N=CN=C4N=CNC34)=CN2)=CC1, inchikey: RFHAXWMRSXFDTD-UHFFFAOYSA-N, vendoridlabnotebookid: Z646004850, fragalysisref: MUREECA-x0599, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000048356651, emolecules: 32029980, pubchem: 47054471, mcule: MCULE-2693326627, molport: MolPort-009-078-421 OSA_000483 target: MurE, smilesparent: CCC=1C=CC(NC(=O)C=2C=CC(Cl)=CN2)=CC1S(=O)(=O)N, inchikey: RDCJKZRDNVNUFS-UHFFFAOYSA-N, vendoridlabnotebookid: Z1231741282, fragalysisref: MUREECA-x0600, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000134698287, pubchem: 122140984, mcule: MCULE-5017590223, molport: MolPort-042-589-661 OSA_000484 target: MurE, smilesparent: OCCN1N=CC=2C(CCCC21)NC=3N=CN=C4SC=CC34, inchikey: YDAHPPRHWIAESI-UHFFFAOYSA-N, vendoridlabnotebookid: Z645320010, fragalysisref: MUREECA-x0601, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 32029258, pubchem: 47054245, mcule: MCULE-5519604434, molport: MolPort-009-078-103 OSA_000485 target: MurE, smilesparent: CN(C)C(=O)C1CCC(CNC(=O)C2=NNC=3CCCCCC23)O1, inchikey: XESSMUVVXOBLNF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1833765715, fragalysisref: MUREECA-x0602, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 121569647, molport: MolPort-039-293-532 OSA_000486 target: MurE, smilesparent: O=C(NCCN1N=C2C=CC=CN2C1=O)C=3C=C(NN3)C=4C=CC=CC4, inchikey: CTWZVBRNTMWAJB-UHFFFAOYSA-N, vendoridlabnotebookid: Z786122912, fragalysisref: MUREECA-x0603, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL3493793, zinc: ZINC000065402603, emolecules: 35732531, pubchem: 53501207, mcule: MCULE-5374942500, molport: MolPort-019-666-277 OSA_000487 target: MurE, smilesparent: CC=1C=CC(NS(=O)(=O)C=2C=CC(=CC2)C(=O)O)=C(O)N1, inchikey: VFNYABOQLKEMFK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1838746682, fragalysisref: MUREECA-x0604, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000390834254, pubchem: 121586880, molport: MolPort-039-318-291 OSA_000488 target: MurE, smilesparent: COC=1C=CC(NC(=O)C=2C=NC=CN2)=CC1OCC(=O)N, inchikey: IHIOWPPUHVPSJJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z435533268, fragalysisref: MUREECA-x0605, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000048344690, emolecules: 31982266, pubchem: 47042393, mcule: MCULE-6912239313, molport: MolPort-009-063-611 OSA_000489 target: MurE, smilesparent: NC(=O)C[C@@H](NC(=O)C=1C=NC=C(F)C1)C=2C=CC=C(Cl)C2, inchikey: FYAKWMVOSCPFCT-CYBMUJFWSA-N, vendoridlabnotebookid: Z1414196069, fragalysisref: MUREECA-x0606, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000177040940, pubchem: 121586116, mcule: MCULE-2738362327, molport: MolPort-039-317-530 OSA_000490 target: MurE, smilesparent: O=C(NC=1C=CC=CC1)C=2C=CC(CN3C(=O)CNC3=O)=CC2, inchikey: VQNMAPGQRZIYLX-UHFFFAOYSA-N, vendoridlabnotebookid: Z18357537, fragalysisref: MUREECA-x0607, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000004539250, emolecules: 9375636, pubchem: 4912803, mcule: MCULE-8056848906, molport: MolPort-000-389-159 OSA_000491 target: MurE, smilesparent: CC(C)CC=1C=C(NN1)C(=O)NCC2=NC(=NO2)C=3C=CC=CN3, inchikey: UFBXOZQAPSMDEI-UHFFFAOYSA-N, vendoridlabnotebookid: Z1175169619, fragalysisref: MUREECA-x0608, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000071896541, emolecules: 36970391, pubchem: 56787079, mcule: MCULE-1770477938, molport: MolPort-020-048-513 OSA_000492 target: MurE, smilesparent: CC(C)C1=CC(=NN1)C(=O)N[C@H]2CCO[C@@H]2C=3C=CC=NC3, inchikey: YPZOIKFAFJUBSZ-SWLSCSKDSA-N, vendoridlabnotebookid: Z1756622000, fragalysisref: MUREECA-x0609, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, ligandbound: No, zinc: ZINC000275530722, pubchem: 120425179, molport: MolPort-039-169-992 OSA_000493 target: MurE, smilesparent: CCC1=NN=C2CN(CCN12)C(=O)C3=CC(C)=CC4=CNN=C34, inchikey: BMLYUMXKNXGGTP-UHFFFAOYSA-N, vendoridlabnotebookid: Z1139301323, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000069493520, emolecules: 36346838, pubchem: 53572122, mcule: MCULE-8976739250, molport: MolPort-020-024-358 OSA_000494 target: MurE, smilesparent: NC(=O)C=1C=C(Cl)C=CC1OCC2=NOC(=N2)C3=CC=CO3, inchikey: JXDDIQDOGHKMLZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z335888748, fragalysisref: MUREECA-x0610, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000031758908, emolecules: 24043138, pubchem: 38981503, mcule: MCULE-7003159120, molport: MolPort-009-271-592 OSA_000495 target: MurE, smilesparent: OC(=O)C=1C=CC=CC1OCC2=CSC(NC=3C=CC=CC3)=N2, inchikey: VZNZEGGENXSRNQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z56984548, fragalysisref: MUREECA-x0611, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000002649601, emolecules: 3220481, pubchem: 2112757, mcule: MCULE-9343005832, molport: MolPort-004-040-352 OSA_000496 target: MurE, smilesparent: COC(=O)C1=CC=C(CSC=2N=C(N)C=3C(C)=C(C)SC3N2)O1, inchikey: VNTCRAZRHIVLCL-UHFFFAOYSA-N, vendoridlabnotebookid: Z324593526, fragalysisref: MUREECA-x0612, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000032776948, emolecules: 24051613, pubchem: 40008986, mcule: MCULE-5736278713, molport: MolPort-009-265-796 OSA_000497 target: MurE, smilesparent: FC=1C=CC=C(CSC=2N=NC=3C=4C=CC=CC4NC3N2)C1, inchikey: VANDHODXZYMZKE-UHFFFAOYSA-N, vendoridlabnotebookid: Z19126364, fragalysisref: MUREECA-x0613, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000013685650, emolecules: 3308027, pubchem: 6409324, mcule: MCULE-9135254176, molport: MolPort-004-061-394 OSA_000498 target: MurE, smilesparent: NC=1N=C(SCC(=O)C=2C=CC=3OCOC3C2)N=C4SC=CC14, inchikey: FCDHNKHFVMDIBS-UHFFFAOYSA-N, vendoridlabnotebookid: Z335929862, fragalysisref: MUREECA-x0614, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000031787531, emolecules: 24055992, pubchem: 39012351, mcule: MCULE-5392558806, molport: MolPort-009-271-752 OSA_000499 target: MurE, smilesparent: COC=1C=C(OC)C=2NC(=CC2C1)C(=O)NC=3C=CC=C(C)N3, inchikey: VFFNUGBHWDUOCX-UHFFFAOYSA-N, vendoridlabnotebookid: Z278162754, fragalysisref: MUREECA-x0615, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000058173732, emolecules: 31383092, pubchem: 47020845, mcule: MCULE-3168428867, molport: MolPort-009-168-331 OSA_000500 target: MurE, smilesparent: CC(C)C1=CC(=NN1)C(=O)N[C@H]2CCCO[C@@H]2C=3C=NN(C)C3, inchikey: GZSJLKIBFRXGGF-SWLSCSKDSA-N, vendoridlabnotebookid: Z1756696623, fragalysisref: MUREECA-x0616, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000275342602, pubchem: 128993174, molport: MolPort-039-177-766 OSA_000501 target: MurE, smilesparent: CC(CN1CCCC1=O)NC(=O)C2=NNC=3C=CC=CC23, inchikey: HKPZWDGVTVGLIU-UHFFFAOYSA-N, vendoridlabnotebookid: Z757937068, fragalysisref: MUREECA-x0617, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 32067970, pubchem: 51089722, mcule: MCULE-7715800407, molport: MolPort-009-566-299 OSA_000502 target: MurE, smilesparent: NC=1N=C(N=C2C=CC=CC12)N3CCC(CN4C=CC=N4)CC3, inchikey: FDNUZBNVVYLANF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1546781983, fragalysisref: MUREECA-x0618, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000133640647, pubchem: 91646590, molport: MolPort-035-746-336 OSA_000503 target: MurE, smilesparent: O=C(CC=1C=CC(=CC1)N2C=NN=N2)NC=3C=CNN3, inchikey: DRVVIXFQLDCZPZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z910730878, fragalysisref: MUREECA-x0619, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000049449838, emolecules: 32122379, pubchem: 47466644, mcule: MCULE-2296580662, molport: MolPort-009-576-750 OSA_000504 target: MurE, smilesparent: CCC1=NC(=NN1)C(C)NC(=O)C2=CNN=C2C3CCOC3, inchikey: YXFPWJSGVVKRMA-UHFFFAOYSA-N, vendoridlabnotebookid: Z1756222265, fragalysisref: MUREECA-x0620, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 128967200, molport: MolPort-039-148-171 OSA_000505 target: MurE, smilesparent: O=C(CNC(=O)C1CCCO1)NC=2C=CC=C3C(=O)NNC(=O)C23, inchikey: HFQCWGIRDJPJHJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z872961304, fragalysisref: MUREECA-x0621, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 32111277, pubchem: 51094011, mcule: MCULE-6043919942, molport: MolPort-009-572-975 OSA_000506 target: MurE, smilesparent: CC=1C=C(NN1)C(=O)N2CC(CCN3CCCC3=O)C=4C=CC=CC24, inchikey: ZDEJKJKMPDSQFG-UHFFFAOYSA-N, vendoridlabnotebookid: Z1360871768, fragalysisref: MUREECA-x0622, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 71860028, mcule: MCULE-3491850062, molport: MolPort-027-678-958 OSA_000507 target: MurE, smilesparent: CC1=NN(C)C=2NC(=O)C(CCC(=O)NCC=3C=COC3)=C(C)C12, inchikey: MHZXACGOBYMUER-UHFFFAOYSA-N, vendoridlabnotebookid: Z649748444, fragalysisref: MUREECA-x0623, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000053039917, emolecules: 36923004, pubchem: 136197037, mcule: MCULE-7388183537, molport: MolPort-020-118-773 OSA_000508 target: MurE, smilesparent: CCN(CC=1C=CC=2OCOC2C1)C(=O)CC3=NNC=4C=CC=CC34, inchikey: MAQHDWDMOGWBBY-UHFFFAOYSA-N, vendoridlabnotebookid: Z960343492, fragalysisref: MUREECA-x0624, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000050557888, emolecules: 35748555, pubchem: 49375189, mcule: MCULE-5263149954, molport: MolPort-019-674-107 OSA_000509 target: MurE, smilesparent: CC(C(=O)NC=1C=C(C=C(F)C1C)C(=O)N)N2N=C(C)C=C2C, inchikey: QLYCRFDHBKWITD-UHFFFAOYSA-N, vendoridlabnotebookid: Z838498424, fragalysisref: MUREECA-x0625, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 32100048, pubchem: 48008068, mcule: MCULE-8590457817, molport: MolPort-009-571-269 OSA_000510 target: MurE, smilesparent: CC=1NN=C2N=CC(=CC12)C(=O)N3CCCC3C4=NOC(=N4)C5CC5, inchikey: JPVOCKVDFWDJLQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1268749945, fragalysisref: MUREECA-x0626, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 71928869, mcule: MCULE-7073026513, molport: MolPort-027-657-352 OSA_000511 target: MurE, smilesparent: CCNC1=NC=2N(C)C(=O)N(C)C(=O)C2N1, inchikey: IAGITRULIIJKKS-UHFFFAOYSA-N, vendoridlabnotebookid: Z1837067471, fragalysisref: MUREECA-x0627, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000017146779, emolecules: 1554772, pubchem: 225043, mcule: MCULE-5719921125, toxicologyresource: 5426-46-0, molport: MolPort-002-028-400, comptox: DTXSID00279774 OSA_000512 target: MurE, smilesparent: CC1=NNC(=N1)C2CN(CCO2)C(=O)CC=3N=C4N=CC=CN4N3, inchikey: HWORUKNTPVNWRV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1268770697, fragalysisref: MUREECA-x0628, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 71928829, mcule: MCULE-1645547341, molport: MolPort-027-657-389 OSA_000513 target: MurE, smilesparent: FC=1C=CC=C(C1)N2CCNCC2=O, inchikey: LWJONQUGTKAGCT-UHFFFAOYSA-N, vendoridlabnotebookid: Z3225843160, fragalysisref: MUREECA-x0629, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, surechemblpatents: SCHEMBL1583755, pubchem: 67085180, molport: MolPort-028-765-438 OSA_000514 target: MurE, smilesparent: CC1=NN(C)C=2NC(=O)C(CCC(=O)NC=3C=CNN3)=C(C)C12, inchikey: QRTRTMZXVTYXPT-UHFFFAOYSA-N, vendoridlabnotebookid: Z827321112, fragalysisref: MUREECA-x0630, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000071826910, emolecules: 36933413, pubchem: 136197151, mcule: MCULE-3245367404, molport: MolPort-020-125-782 OSA_000515 target: MurE, smilesparent: CC1=NN=C(SCC=2N=C(N)N=C(N)N2)N1, inchikey: DJQUTPGWWVCTBC-UHFFFAOYSA-N, vendoridlabnotebookid: Z226769910, fragalysisref: MUREECA-x0631, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000011705547, emolecules: 13999968, pubchem: 16603358, mcule: MCULE-7332066568, molport: MolPort-005-732-807 OSA_000516 target: MurE, smilesparent: CC1=NN(C)C=2NC(=O)C(CCC(=O)NCC=3C=CC=NC3)=C(C)C12, inchikey: HMXFPGOHUCNUBX-UHFFFAOYSA-N, vendoridlabnotebookid: Z370743754, fragalysisref: MUREECA-x0632, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000071805616, emolecules: 36913714, pubchem: 136124568, mcule: MCULE-9043786833, molport: MolPort-020-111-557 OSA_000517 target: MurE, smilesparent: CC1OC=2C=CC(NC(=O)CC=3C(F)=CC=CC3Cl)=CC2NC1=O, inchikey: FUEUPAQZHZJIIH-UHFFFAOYSA-N, vendoridlabnotebookid: Z110096298, fragalysisref: MUREECA-x0633, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 18882103, pubchem: 18159726, mcule: MCULE-8676094140, molport: MolPort-009-387-827 OSA_000518 target: MurE, smilesparent: CC=1C=NC(=CN1)C(=O)NC(C(=O)NC=2C=CNN2)C=3C=CC=CC3, inchikey: OJJDXVQDVYCVIN-UHFFFAOYSA-N, vendoridlabnotebookid: Z1126979163, fragalysisref: MUREECA-x0634, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 36675277, pubchem: 53615157, mcule: MCULE-1506063383, molport: MolPort-020-081-457 OSA_000519 target: MurE, smilesparent: NC(=O)CC1=CSC(NC(=O)CCC=2C=CC=3OCCOC3C2)=N1, inchikey: RYGRSUGZRNXLDZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z226188078, fragalysisref: MUREECA-x0635, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000012881940, emolecules: 18887915, pubchem: 18291082, mcule: MCULE-1511305512, molport: MolPort-009-443-572 OSA_000520 target: MurE, smilesparent: COC=1C=CC(=CC1)C2=NC(CNC(=O)C=3C=CC=CN3)=NN2, inchikey: FWZRLHDNZLCHCK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1119645172, fragalysisref: MUREECA-x0636, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000069817973, emolecules: 36672751, pubchem: 53609326, mcule: MCULE-9392706575, molport: MolPort-020-157-647 OSA_000521 target: MurE, smilesparent: CC(SC1=NN=C(O1)C2=CC=CN2)C3=NC(=NO3)C4=CC=CO4, inchikey: QQHRWOVWKBKLGW-UHFFFAOYSA-N, vendoridlabnotebookid: Z356355054, fragalysisref: MUREECA-x0637, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 24021911, pubchem: 136153120, mcule: MCULE-6556007027, molport: MolPort-009-283-555 OSA_000522 target: MurE, smilesparent: NC(=O)C=1C=CC(Cl)=C(NCC(=O)NC=2C=CC=3OCOC3C2)C1, inchikey: RWPBVDPMWGQGFU-UHFFFAOYSA-N, vendoridlabnotebookid: Z1171354243, fragalysisref: MUREECA-x0638, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000069847370, emolecules: 36709348, pubchem: 53611733, mcule: MCULE-2778515105, molport: MolPort-020-090-599 OSA_000523 target: MurE, smilesparent: CCC(=O)NC=1C=CC=C(NC(=O)C2=CC=3C=C(F)C=CC3N2)C1, inchikey: ZQMSRUHEDXDQGP-UHFFFAOYSA-N, vendoridlabnotebookid: Z319736250, fragalysisref: MUREECA-x0639, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000032771105, emolecules: 24019555, pubchem: 39999786, mcule: MCULE-5518202662, molport: MolPort-009-630-582 OSA_000524 target: MurE, smilesparent: CCCC1=NNC(=N1)C2CN(CCO2)C(=O)CCC=3C=CC=NC3, inchikey: VQKNPRIUQBNVDR-UHFFFAOYSA-N, vendoridlabnotebookid: Z1268778158, fragalysisref: MUREECA-x0640, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 72123341, mcule: MCULE-3199992496, molport: MolPort-023-165-257 OSA_000525 target: MurE, smilesparent: CCOC=1C=CC=2C=C(NC2C1)C(=O)NC=3C=CC=4CCNC(=O)C4C3, inchikey: ZBPRXXQGPJQEEP-UHFFFAOYSA-N, vendoridlabnotebookid: Z1223491308, fragalysisref: MUREECA-x0641, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000071910286, emolecules: 36980292, pubchem: 56792007, mcule: MCULE-7101349170, molport: MolPort-020-055-396 OSA_000526 target: MurE, smilesparent: O=C(NCC=1C=CNN1)C2CCCN2C(=O)C=3C=CC=4OCOC4C3, inchikey: JVSGCQURXSVYNB-UHFFFAOYSA-N, vendoridlabnotebookid: Z980548268, fragalysisref: MUREECA-x0642, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, pubchem: 72045713, mcule: MCULE-3456921857, molport: MolPort-023-191-963 OSA_000527 target: MurE, smilesparent: CNC=1SN=C(C)C1C(=O)NC2=NC(CC(=O)N)=CS2, inchikey: NRPFIVXPPFWGAI-UHFFFAOYSA-N, vendoridlabnotebookid: Z256913326, fragalysisref: MUREECA-x0643, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000021040827, emolecules: 31876752, pubchem: 29289670, mcule: MCULE-1281978809, molport: MolPort-009-530-462 OSA_000528 target: MurE, smilesparent: CS(=O)(=O)C1CCCC(C1)NC(=O)C=2C=CC=C3C=NNC23, inchikey: JEARJJZSTMOHHX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1252215658, fragalysisref: MUREECA-x0644, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72003698, mcule: MCULE-5863422483, molport: MolPort-028-282-824 OSA_000529 target: MurE, smilesparent: CC1=NC(=NN1)C(NC(=O)CNC(=O)C=2C=CC=CC2)C=3C=CC=CC3, inchikey: ASGKPBIOHRCLBJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1116849613, fragalysisref: MUREECA-x0645, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 36671321, pubchem: 53596072, mcule: MCULE-6226372087, molport: MolPort-020-156-611 OSA_000530 target: MurE, smilesparent: COC=1C=CC(COC=2C=CC(Cl)=CC2C(=O)N)=C(Cl)C1, inchikey: RGHAQQVTPOHORV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1269322079, fragalysisref: MUREECA-x0646, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000072300661, pubchem: 72121739, mcule: MCULE-7470746514, molport: MolPort-023-166-903 OSA_000531 target: MurE, smilesparent: NC(=O)CC1=CSC(=N1)C=2C=CC=3OCOC3C2, inchikey: ZBXIQTWDTCSWKN-UHFFFAOYSA-N, vendoridlabnotebookid: Z997948526, fragalysisref: MUREECA-x0647, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000069559007, emolecules: 36301832, pubchem: 53579112, mcule: MCULE-3742148666 OSA_000532 target: MurE, smilesparent: FC(F)(F)C1=CC(=NN1)C2CCCN(C2)C(=O)CC=3C=CC=NC3, inchikey: LQFVGLFVNNVHFX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1269691768, fragalysisref: MUREECA-x0648, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL3454496, pubchem: 72121329, mcule: MCULE-4072125044, molport: MolPort-023-167-327 OSA_000533 target: MurE, smilesparent: COC=1C=CC(=CC1)C(NC(=O)C2=CC=C(C)NC2=O)C=3C=CC=CC3, inchikey: LNSSMTYJIVCYKF-UHFFFAOYSA-N, vendoridlabnotebookid: Z594976072, fragalysisref: MUREECA-x0649, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72049991, mcule: MCULE-1696634470, molport: MolPort-023-189-591 OSA_000534 target: MurE, smilesparent: CC=1C=CC(=CC1)C(CC(=O)O)NC(=O)CC2=CNC=3C=CC=CC23, inchikey: ISVZJZRSKLRYRA-UHFFFAOYSA-N, vendoridlabnotebookid: Z224125774, fragalysisref: MUREECA-x0650, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72158821, mcule: MCULE-2584381313, molport: MolPort-023-134-561 OSA_000535 target: MurE, smilesparent: CN(CCCC1=NNC(N)=C1C#N)C=2N=CC(=CC2Cl)C(=O)N, inchikey: NLKAGHNJQWLILW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1168169445, fragalysisref: MUREECA-x0651, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000068660928, emolecules: 37023835, pubchem: 56804309, mcule: MCULE-9903719044, molport: MolPort-020-089-691 OSA_000536 target: MurE, smilesparent: CC(NC=1C=CC=C(OC=2C=CC=CC2C(=O)N)C1)C3=NN=C(C)O3, inchikey: IBDOTSGWIQKNOG-UHFFFAOYSA-N, vendoridlabnotebookid: Z1329036659, fragalysisref: MUREECA-x0652, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 75424035, mcule: MCULE-2022108110, molport: MolPort-028-768-859 OSA_000537 target: MurE, smilesparent: CC1=CC(=NN1)C2CCCN(C2)C(=O)C3=CNC(C)=N3, inchikey: QYUHTZRQTHQVPJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1269729284, fragalysisref: MUREECA-x0653, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 71926844, mcule: MCULE-5405585328 OSA_000538 target: MurE, smilesparent: CC1=CC(=NN1)C2CCCN(C2)C(=O)CCCOC=3C=CC=CC3, inchikey: UZFLCXNVCIFBOP-UHFFFAOYSA-N, vendoridlabnotebookid: Z1269733339, fragalysisref: MUREECA-x0654, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 71926712, mcule: MCULE-6401361541, molport: MolPort-023-234-653 OSA_000539 target: MurE, smilesparent: COC=1C=CC(=CC1F)C(C)NC=2N=CN=C3N(CCO)N=CC23, inchikey: YILWRDCXIBOLLE-UHFFFAOYSA-N, vendoridlabnotebookid: Z990848676, fragalysisref: MUREECA-x0655, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 86774122, mcule: MCULE-6591755242, molport: MolPort-030-003-465 OSA_000540 target: MurE, smilesparent: CCCN1C=C(NC(C)CCCOC=2C=CC=CC2C(=O)N)C=N1, inchikey: LWGMZJILOLREJW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1704527216, fragalysisref: MUREECA-x0656, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75524224, mcule: MCULE-7870513703, molport: MolPort-029-937-506 OSA_000541 target: MurE, smilesparent: CC1=CC(NC(=O)CSC=2N=C(N)C=3C(C)=C(C)SC3N2)=NO1, inchikey: GLMYRJYDGIDDQS-UHFFFAOYSA-N, vendoridlabnotebookid: Z324593374, fragalysisref: MUREECA-x0657, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000058226344, emolecules: 31885934, pubchem: 51077019, mcule: MCULE-2125642907, molport: MolPort-009-534-485 OSA_000542 target: MurE, smilesparent: FC=1C=CC(NCC=2C=CNN2)=CC1NC(=O)CC=3C=CC=CC3, inchikey: LNJUXZUWSPGWGF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1625982458, fragalysisref: MUREECA-x0658, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000097235386, pubchem: 86785107, mcule: MCULE-6966320943, molport: MolPort-030-014-971 OSA_000543 target: MurE, smilesparent: COC=1C=CC(NC2=NC(=CS2)C(=O)N3CCCC3)=CC1, inchikey: BSZOYMFRMOFAFL-UHFFFAOYSA-N, vendoridlabnotebookid: Z1250804313, fragalysisref: MUREECA-x0659, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000004674681, emolecules: 36985404, pubchem: 4394121, mcule: MCULE-7101521218, molport: MolPort-002-946-866 OSA_000544 target: MurE, smilesparent: CCN1C=C(C=N1)[C@H]2OCCC[C@@H]2NC(=O)C=3C=C(NN3)C(C)C, inchikey: FYBZJCARONXGLE-XJKSGUPXSA-N, vendoridlabnotebookid: Z1756705867, fragalysisref: MUREECA-x0660, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000328619511, pubchem: 129006120, molport: MolPort-039-191-320 OSA_000545 target: MurE, smilesparent: CCC1=NOC(CNC=2C=C(C=CC2Cl)N3CCNC3=O)=N1, inchikey: CPEMVTVAZTWZFO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1185890746, fragalysisref: MUREECA-x0661, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000071900479, emolecules: 36973353, pubchem: 56788555, mcule: MCULE-1820980055, molport: MolPort-020-050-327 OSA_000546 target: MurE, smilesparent: CN(C)C(=O)C=1C=CC=C(CNC=2N=CN=C3N(CCO)N=CC23)C1, inchikey: MGQQAGDVCWDUIE-UHFFFAOYSA-N, vendoridlabnotebookid: Z990871800, fragalysisref: MUREECA-x0662, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000097200398, pubchem: 86774256, mcule: MCULE-5233395497, molport: MolPort-030-003-598 OSA_000547 target: MurE, smilesparent: CCCC1=NOC(CSC=2N=C(N)C=3C(C)=C(C)SC3N2)=N1, inchikey: ZVEIYULDAHWKLM-UHFFFAOYSA-N, vendoridlabnotebookid: Z336009536, fragalysisref: MUREECA-x0663, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, ligandbound: No, zinc: ZINC000031823579, emolecules: 24055368, pubchem: 39050732, mcule: MCULE-3048394040, molport: MolPort-009-272-082 OSA_000548 target: MurE, smilesparent: CC=1C=CC(NC(=O)C=2C=CC=CC2)=CC1NC(=O)C=3C=CC=NC3O, inchikey: NPNYVOCIQADGEL-UHFFFAOYSA-N, vendoridlabnotebookid: Z654149278, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000053617268, emolecules: 32039212, pubchem: 51120342, mcule: MCULE-2280787956, molport: MolPort-009-340-595 OSA_000549 target: MurE, smilesparent: CC(=O)NC=1C=CC(CNC(=O)C2=NNC=3C=CC=CC23)=CC1, inchikey: AZRFBTXSCWCEQG-UHFFFAOYSA-N, vendoridlabnotebookid: Z241403990, fragalysisref: MUREECA-x0664, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000022511810, emolecules: 23735334, pubchem: 18154228, mcule: MCULE-6041532776, molport: MolPort-009-464-845 OSA_000550 target: MurE, smilesparent: COC=1C=CC(CCNC(=O)C2=C(C)OC=3N=CNC(=O)C23)=CC1, inchikey: FTNFAFJUABFXBC-UHFFFAOYSA-N, vendoridlabnotebookid: Z82184085, fragalysisref: MUREECA-x0665, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000025707494, emolecules: 31849071, pubchem: 32978992, mcule: MCULE-1164545137, molport: MolPort-009-521-252 OSA_000551 target: MurE, smilesparent: C(CC1=NN=C(N1)C2=CC=CO2)NC=3C=NC=4C=CC=CC4N3, inchikey: RBOIEFRCCATJFH-UHFFFAOYSA-N, vendoridlabnotebookid: Z1225468526, fragalysisref: MUREECA-x0666, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000075140736, pubchem: 72041803, mcule: MCULE-5879224144, molport: MolPort-023-195-615 OSA_000552 target: MurE, smilesparent: CCOC(=O)C1=C(C)OC=2N=C(CSC=3N=CC=CN3)N=C(N)C12, inchikey: IUNLXJSZXZWUJX-UHFFFAOYSA-N, vendoridlabnotebookid: Z51086702, fragalysisref: MUREECA-x0667, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000006983602, emolecules: 13430445, pubchem: 17407770, mcule: MCULE-7035351595, molport: MolPort-005-530-495 OSA_000553 target: MurE, smilesparent: CC(NC=1N=CC(=CC1Cl)C(=O)N)C=2C=CC=3OCOC3C2, inchikey: GTNCIRDWOZEZAY-UHFFFAOYSA-N, vendoridlabnotebookid: Z728986548, fragalysisref: MUREECA-x0668, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 37005297, pubchem: 56797206, mcule: MCULE-7610122864, molport: MolPort-020-062-790 OSA_000554 target: MurE, smilesparent: CN1C(CSC=2N=C(N)C=3C=CSC3N2)=CC(=O)N(C)C1=O, inchikey: ZQTVXYCIUNKJRE-UHFFFAOYSA-N, vendoridlabnotebookid: Z215307148, fragalysisref: MUREECA-x0669, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000009368287, emolecules: 13428340, pubchem: 17402471, mcule: MCULE-8868052575, molport: MolPort-005-526-408 OSA_000555 target: MurE, smilesparent: CC1=NC=C(CNC(=O)CC=2C(C)=NC3=NC(N)=NN3C2C)S1, inchikey: XXEUUKJOKWUHNV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1149453302, fragalysisref: MUREECA-x0670, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000075134340, pubchem: 72043485, mcule: MCULE-1147965688, molport: MolPort-023-193-960 OSA_000556 target: MurE, smilesparent: CN1C=C(C=N1)[C@H]2OCCC[C@@H]2NC(=O)C=3C=CC=C(C3)C(=O)N, inchikey: WFTUUDSGTYBRRX-LSDHHAIUSA-N, vendoridlabnotebookid: Z1756695442, fragalysisref: MUREECA-x0671, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000328637993, pubchem: 129006124, molport: MolPort-039-191-324 OSA_000557 target: MurE, smilesparent: COC=1C=CC(=CC1)C2=NC(CNC(=O)C=3C=CC=C4C=NNC34)=NN2, inchikey: CDYFHTWKQILCPF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1119643286, fragalysisref: MUREECA-x0672, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000069812900, emolecules: 36672677, pubchem: 53607923, mcule: MCULE-3238768495, molport: MolPort-020-157-616 OSA_000558 target: MurE, smilesparent: CC=1C=C(NN1)C(=O)N2CCN(CC=3C=CC=CN3)CC2, inchikey: MCGCYSMQVSQUFL-UHFFFAOYSA-N, vendoridlabnotebookid: Z729127304, fragalysisref: MUREECA-x0673, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000054134175, pubchem: 72153618, mcule: MCULE-1564706911, molport: MolPort-023-136-554 OSA_000559 target: MurE, smilesparent: CC=1C=C(ON1)C(=O)NC(C(=O)NC=2C=CNN2)C=3C=CC=CC3, inchikey: GBJAGUZTQYLLLW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1126978940, fragalysisref: MUREECA-x0674, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 36675263, pubchem: 53608195, mcule: MCULE-5343603396, molport: MolPort-020-159-696 OSA_000560 target: MurE, smilesparent: CC=1C=C(NCC=2C=CC(C#N)=CC2F)C(=CC1F)C(=O)N, inchikey: FPDVADXYDUDPBE-UHFFFAOYSA-N, vendoridlabnotebookid: Z1233958166, fragalysisref: MUREECA-x0675, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000072290810, pubchem: 72130641, mcule: MCULE-7072254056, molport: MolPort-023-157-487 OSA_000561 target: MurE, smilesparent: CC1=NC=C(S1)C(=O)NC(C(=O)NC=2C=CNN2)C=3C=CC=CC3, inchikey: HGOYBNGYIIRIRU-UHFFFAOYSA-N, vendoridlabnotebookid: Z1126978346, fragalysisref: MUREECA-x0676, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 36675253, pubchem: 53608642, mcule: MCULE-8618864357, molport: MolPort-020-159-691 OSA_000562 target: MurE, smilesparent: OC(=O)CC1CN(CCO1)C(=O)C=2C=C(NN2)C=3C=CC=CC3, inchikey: PIXWCKSTGVZYTQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1445443572, fragalysisref: MUREECA-x0677, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 119248918, molport: MolPort-041-157-358 OSA_000563 target: MurE, smilesparent: NC=1N=C(CN2C=NC(C#N)=N2)N=C(NC=3C=CC(F)=CC3)N1, inchikey: KLUCQVZVCFVUBL-UHFFFAOYSA-N, vendoridlabnotebookid: Z228468438, fragalysisref: MUREECA-x0678, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000014144358, emolecules: 13476748, pubchem: 17564964, mcule: MCULE-4009083341, molport: MolPort-005-774-758 OSA_000564 target: MurE, smilesparent: CCC=1C=C(NN1)C(=O)N2CCC(CN(C)CC=3C=CC=NC3)C2, inchikey: VNJRIOJZRVFYMZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1759859744, fragalysisref: MUREECA-x0679, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 129005843, molport: MolPort-039-191-050 OSA_000565 target: MurE, smilesparent: O=C(NCC=1C=CC=C(C1)N2CCCC2=O)C=3C=CC=C4C=NNC34, inchikey: GFYGPCANYZDLMV-UHFFFAOYSA-N, vendoridlabnotebookid: Z407940970, fragalysisref: MUREECA-x0680, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK: Jelly, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000032312282, emolecules: 31938852, pubchem: 39517016, mcule: MCULE-2217555068, molport: MolPort-009-049-039 OSA_000566 target: MurE, smilesparent: CCN1C=C(C=N1)[C@H]2OCCC[C@@H]2NC(=O)C3=NNC=4CCCC34, inchikey: SBAVZWKXMJDOQA-GOEBONIOSA-N, vendoridlabnotebookid: Z1756708067, fragalysisref: MUREECA-x0681, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000328632720, pubchem: 128967781, molport: MolPort-039-148-796 OSA_000567 target: MurE, smilesparent: CN1C=C(C=N1)C2=NC(=CS2)C(=O)NCC=3C=CNN3, inchikey: PRRSCEQWFMDMJY-UHFFFAOYSA-N, vendoridlabnotebookid: Z649822922, fragalysisref: MUREECA-x0682, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000044977944, emolecules: 32035618, pubchem: 45834372, mcule: MCULE-9570763369, molport: MolPort-009-080-865 OSA_000568 target: MurE, smilesparent: CCOC(C)C1=NOC(CC2=CSC(=N2)N3CCNC3=O)=N1, inchikey: JHAPXYVBWYHTGV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1216403474, fragalysisref: MUREECA-x0683, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 102557361, molport: MolPort-035-838-036 OSA_000569 target: MurE, smilesparent: COC=1C=CC(C(=O)N)=C(OCC2=CC(=O)N3C=CC(C)=CC3=N2)C1, inchikey: KKBBGSKMARPNFT-UHFFFAOYSA-N, vendoridlabnotebookid: Z26325537, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000035870826, emolecules: 30669281, pubchem: 18166098, mcule: MCULE-4879484574, molport: MolPort-009-024-966 OSA_000570 target: MurE, smilesparent: OC(=O)CN(CC=1C=CC=CC1)C(=O)CC2=NNC=3C=CC=CC23, inchikey: CUYLKWBHZYVYBF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1444360403, fragalysisref: MUREECA-x0684, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000225483008, pubchem: 100650283, molport: MolPort-038-956-928 OSA_000571 target: MurE, smilesparent: CC=1C=C(CN2CCN(CC2)C(=O)C3=NNC=4C=CC=CC34)ON1, inchikey: FIEPEXSMOIFYBU-UHFFFAOYSA-N, vendoridlabnotebookid: Z168760202, fragalysisref: MUREECA-x0685, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000048302512, emolecules: 30693988, pubchem: 47014820, mcule: MCULE-2414313449, molport: MolPort-009-144-837 OSA_000572 target: MurE, smilesparent: CCC=1C=C(NN1)C(=O)NC[C@@H]2C[C@H](F)CN2CC3=CC(C)=NO3, inchikey: LXBORNZOQWTUST-AAEUAGOBSA-N, vendoridlabnotebookid: Z1759563032, fragalysisref: MUREECA-x0686, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, zinc: ZINC000347338198, pubchem: 128993784, molport: MolPort-039-178-406 OSA_000573 target: MurE, smilesparent: CC1=NNC=2N=CC(CNCCOC=3C=CC=4OCOC4C3)=CC12, inchikey: CUGMBLWPQPCRHS-UHFFFAOYSA-N, vendoridlabnotebookid: Z649978136, fragalysisref: MUREECA-x0687, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 36641424, pubchem: 53499048, mcule: MCULE-8224902371, molport: MolPort-020-062-494 OSA_000574 target: MurE, smilesparent: CCC=1NN=C(NCC=2C=CC=CC2OCC=3C=CC=NC3)C1C, inchikey: KAYOBDYOJZHHIP-UHFFFAOYSA-N, vendoridlabnotebookid: Z1434063749, fragalysisref: MUREECA-x0688, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000079112179, pubchem: 71848006, mcule: MCULE-2331164470, molport: MolPort-023-246-779 OSA_000575 target: MurE, smilesparent: CC1=C(CCC(=O)NCC=2C=COC2)C(=O)NC=3N(C)NC(=O)C13, inchikey: VLYVQKQMJOOWCI-UHFFFAOYSA-N, vendoridlabnotebookid: Z649748576, fragalysisref: MUREECA-x0689, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000048365276, emolecules: 32035278, pubchem: 47056475, mcule: MCULE-3307205971, molport: MolPort-009-080-733 OSA_000576 target: MurE, smilesparent: CC1=NN=C(S1)N2CCN(CC=3N=C(N)C=4C=CC=CC4N3)CC2, inchikey: XFJJTSROILBOSW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1343180792, fragalysisref: MUREECA-x0690, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000084291764, pubchem: 71862559, mcule: MCULE-3241461059, molport: MolPort-027-677-940 OSA_000577 target: MurE, smilesparent: CC(NC(=O)C1=NNC(=O)C=2C=CC=CC12)C3=NN=C4C=CC=CN34, inchikey: UBYPCOPHALNGOK-UHFFFAOYSA-N, vendoridlabnotebookid: Z131516146, fragalysisref: MUREECA-x0691, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 30753291, pubchem: 47013018, mcule: MCULE-9147276324, molport: MolPort-009-139-073 OSA_000578 target: MurE, smilesparent: C(SC1=NN=C(N1)C=2C=CC=CC2)C3=NC=4C=CC=NC4N3, inchikey: JLKXHTGASQGMPR-UHFFFAOYSA-N, vendoridlabnotebookid: Z1033101872, fragalysisref: MUREECA-x0692, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000058250508, emolecules: 32171365, surechemblpatents: SCHEMBL15361805, pubchem: 51108221, mcule: MCULE-2534100374, molport: MolPort-009-589-592 OSA_000579 target: MurE, smilesparent: O=C(CC=1C=CC=NC1)NC2=CC(=NN2)C3=CC=4C=CC=CC4O3, inchikey: QWJUTYIXQKRDJI-UHFFFAOYSA-N, vendoridlabnotebookid: Z1177707334, fragalysisref: MUREECA-x0693, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000095395238, pubchem: 75370766, mcule: MCULE-9315472952, molport: MolPort-027-895-506 OSA_000580 target: MurE, smilesparent: CC=1NN=CC1S(=O)(=O)NC=2C=CC=CC2N3C=CC(=N3)C(=O)O, inchikey: FXXMJNMSIWVWBD-UHFFFAOYSA-N, vendoridlabnotebookid: Z1233140741, fragalysisref: MUREECA-x0694, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000069980479, emolecules: 36720958, pubchem: 53623017, mcule: MCULE-1847062979, molport: MolPort-020-095-294 OSA_000581 target: MurE, smilesparent: CN(C)C(=O)CC=1C=CC=CC1NCC=2C=C3C=CC=CC3=NC2O, inchikey: CPQMSFINLFJTRR-UHFFFAOYSA-N, vendoridlabnotebookid: Z1462566362, fragalysisref: MUREECA-x0695, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000095428770, pubchem: 75385157, mcule: MCULE-3302666624, molport: MolPort-027-915-520 OSA_000582 target: MurE, smilesparent: NC(=O)CCCNC(=O)CC1=CSC(=N1)C=2C=CC=3OCOC3C2, inchikey: RGBBYJNTDCWLRV-UHFFFAOYSA-N, vendoridlabnotebookid: Z996066116, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000069389020, emolecules: 36300456, pubchem: 53558890, mcule: MCULE-8202269314, molport: MolPort-020-073-168 OSA_000583 target: MurE, smilesparent: CC1=CC(C)=C(C(=O)NCCNC=2N=CN=C3C=CC=CC23)C(=O)N1, inchikey: ZCRAFPYCVZQVDI-UHFFFAOYSA-N, vendoridlabnotebookid: Z1314059453, fragalysisref: MUREECA-x0696, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL3466699, zinc: ZINC000073243342, pubchem: 75375601, mcule: MCULE-6306482438, molport: MolPort-027-901-711 OSA_000584 target: MurE, smilesparent: O=C(NC=1C=CC=CC1OCC2=CSC=N2)C3=CC=4C=CC=CC4N3, inchikey: RDPIQXNTDPTNJH-UHFFFAOYSA-N, vendoridlabnotebookid: Z980349258, fragalysisref: MUREECA-x0697, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000069352142, emolecules: 36294633, pubchem: 53556516, mcule: MCULE-4806414220, molport: MolPort-020-135-173 OSA_000585 target: MurE, smilesparent: CCC1=NN(C)C=2NN=C(NC(=O)C3CC=4C=CC=CC4O3)C12, inchikey: PXTVFCDXFYKNGP-UHFFFAOYSA-N, vendoridlabnotebookid: Z1212628882, fragalysisref: MUREECA-x0698, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 136234929, mcule: MCULE-3832055829, molport: MolPort-023-154-137 OSA_000586 target: MurE, smilesparent: NC(=O)C=1C=CC=CC1OCC=2C=CC(C#N)=CC2, inchikey: ANASJWNMXGJKTC-UHFFFAOYSA-N, vendoridlabnotebookid: Z25777174, fragalysisref: MUREECA-x0699, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000005342395, emolecules: 17158163, pubchem: 7640042, mcule: MCULE-4135636187, molport: MolPort-004-343-119 OSA_000587 target: MurE, smilesparent: CCC=1C=CC(=CC1S(=O)(=O)NC=2C=NN(CCO)C2)C(=O)O, inchikey: WFIBMNKXUVPYOP-UHFFFAOYSA-N, vendoridlabnotebookid: Z826696564, fragalysisref: MUREECA-x0700, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000067659890, pubchem: 72152203, mcule: MCULE-9736176629, molport: MolPort-023-137-350 OSA_000588 target: MurE, smilesparent: CC1=NC(=NN1)C=2C=CC=C(NCC=3C=CC(=C(C)C3)N4C=NC=N4)C2, inchikey: CPCXROIYRZDZLU-UHFFFAOYSA-N, vendoridlabnotebookid: Z1480757085, fragalysisref: MUREECA-x0701, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000095431140, pubchem: 75386376, mcule: MCULE-5675260186, molport: MolPort-027-917-244 OSA_000589 target: MurE, smilesparent: NC=1N=C(N)N=C(SCC2=CSC(=N2)C3=CC=CO3)N1, inchikey: ADKAAACZJIUOEQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z241567956, fragalysisref: MUREECA-x0702, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000012778711, emolecules: 16793271, pubchem: 25504348, mcule: MCULE-7323267798, molport: MolPort-005-666-494 OSA_000590 target: MurE, smilesparent: CC(C)(C)C1=NOC(=N1)C=2C=CC=CC2C(=O)N3CCC(C3)C(=O)N, inchikey: HYDOQOYOVNNZFF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1158308049, fragalysisref: MUREECA-x0703, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, pubchem: 72020484, mcule: MCULE-5829149543, molport: MolPort-028-265-742 OSA_000591 target: MurE, smilesparent: CC1=CN=C(NC(=O)CCC2=C(C)C=3C(C)=NN(C)C3NC2=O)S1, inchikey: INAUZVUUATWVRV-UHFFFAOYSA-N, vendoridlabnotebookid: Z361929940, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000031659964, emolecules: 36912960, pubchem: 135883648, mcule: MCULE-3797647880, molport: MolPort-007-393-653 OSA_000592 target: MurE, smilesparent: CC=1C=CC(C(=O)N)=C(OCC=2C=CC(C#N)=CC2)C1, inchikey: QEFMFKDLIIGIQA-UHFFFAOYSA-N, vendoridlabnotebookid: Z217920818, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000012848227, emolecules: 24130589, pubchem: 25550141, mcule: MCULE-3345115111, molport: MolPort-009-432-529 OSA_000593 target: MurE, smilesparent: NC(=O)C=1C=CC=CC1OCCCOC=2C=CC=3OCOC3C2, inchikey: POHVKYUSWJCLCN-UHFFFAOYSA-N, vendoridlabnotebookid: Z883400278, fragalysisref: MUREECA-x0704, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000058342324, emolecules: 33315459, pubchem: 51094802, mcule: MCULE-1003375707, molport: MolPort-009-573-837 OSA_000594 target: MurE, smilesparent: FC(F)(F)C=1C=CC(CNC(=O)C=2NN=C3CCCCC23)=CC1, inchikey: STWORMANWTYAPE-UHFFFAOYSA-N, vendoridlabnotebookid: Z358274380, fragalysisref: MUREECA-x0705, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000012544366, emolecules: 31538381, pubchem: 25347949, mcule: MCULE-2966065251, molport: MolPort-019-696-137 OSA_000595 target: MurE, smilesparent: CC=1C=CC(NC2=NC(CN3C=NC(C#N)=N3)=CS2)=CC1, inchikey: WGZIKPSZTHFKAQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z228464920, fragalysisref: MUREECA-x0706, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000012554986, emolecules: 31369743, pubchem: 17502344, mcule: MCULE-5982714703, molport: MolPort-005-630-933 OSA_000596 target: MurE, smilesparent: OC(=O)CC(NC(=O)CC1=CNC=2C=C(F)C=CC12)C3=CC=CS3, inchikey: IGJYINDZLAJOPY-UHFFFAOYSA-N, vendoridlabnotebookid: Z1443750597, fragalysisref: MUREECA-x0707, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75383469, mcule: MCULE-8225284781, molport: MolPort-027-912-748 OSA_000597 target: MurE, smilesparent: COC=1C=CC(=CC1F)S(=O)(=O)NC=2C=CC=NC2O, inchikey: NJNOJNNSSPLKDC-UHFFFAOYSA-N, vendoridlabnotebookid: Z968561832, fragalysisref: MUREECA-x0708, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000058137589, emolecules: 32145453, pubchem: 47088909, mcule: MCULE-4385266869, molport: MolPort-009-115-351 OSA_000598 target: MurE, smilesparent: CN1C=C(C=N1)N2CCCC(NC=3C=CC(Cl)=C(C3)C(=O)N)C2=O, inchikey: YVIXUHCYJOSGFZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1281831612, fragalysisref: MUREECA-x0709, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 86769499, molport: MolPort-027-900-683 OSA_000599 target: MurE, smilesparent: CC=1C=C(NN1)C(=O)NCCNC2=NC=3C=CC=CC3S2, inchikey: UIVSZWMMGZSXKA-UHFFFAOYSA-N, vendoridlabnotebookid: Z733210418, fragalysisref: MUREECA-x0710, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000054762043, emolecules: 32047994, pubchem: 47061323, mcule: MCULE-2648472327, molport: MolPort-009-086-215 OSA_000600 target: MurE, smilesparent: CCC1=NSC(NCC=2C=CC=CC2N3CCCC(C3)C(=O)N)=N1, inchikey: MEPTVXDWMUVGEI-UHFFFAOYSA-N, vendoridlabnotebookid: Z1348386359, fragalysisref: MUREECA-x0711, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75376980, mcule: MCULE-5543490702, molport: MolPort-027-903-450 OSA_000601 target: MurE, smilesparent: CNC1=NN=C(SCCC2=NC=3C=CC=CC3C(=O)N2)S1, inchikey: BGEKPDSEXZRVOV-UHFFFAOYSA-N, vendoridlabnotebookid: Z821291704, fragalysisref: MUREECA-x0712, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000058159487, emolecules: 32089864, pubchem: 136038122, mcule: MCULE-4675932587, molport: MolPort-009-099-242 OSA_000602 target: MurE, smilesparent: NC=1N=C(N=C2C=CC=CC12)N3CCCC3C4=NN=C5CCCCCN45, inchikey: DJGXBADGEDFIGO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1546688605, fragalysisref: MUREECA-x0713, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 75394885, mcule: MCULE-2620065942, molport: MolPort-027-929-362 OSA_000603 target: MurE, smilesparent: CC=1C=C(NN1)C(=O)NCCN2N=C3C=CC=CN3C2=O, inchikey: JJNHGLOJVVBENU-UHFFFAOYSA-N, vendoridlabnotebookid: Z816646802, fragalysisref: MUREECA-x0714, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL3497263, zinc: ZINC000057240928, emolecules: 35735691, pubchem: 53501447, mcule: MCULE-5547651390, molport: MolPort-019-667-824 OSA_000604 target: MurE, smilesparent: CC1=CC(=NN1)C2CCCN(C2)C(=O)C=3C=CC=C(C3)S(=O)(=O)C, inchikey: UBRQMVJBYTUSBB-UHFFFAOYSA-N, vendoridlabnotebookid: Z1269731298, fragalysisref: MUREECA-x0715, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72121281, mcule: MCULE-4222848930, molport: MolPort-023-167-374 OSA_000605 target: MurE, smilesparent: CCOCCOCC=1C=CC=C(CNC=2N=CN=C3N=CNC23)C1, inchikey: DAIMJSXKOJCPKL-UHFFFAOYSA-N, vendoridlabnotebookid: Z644970508, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000052131748, emolecules: 32028600, pubchem: 47054010, mcule: MCULE-6571390654, molport: MolPort-009-077-793 OSA_000606 target: MurE, smilesparent: OC(=O)CC(NC(=O)CC1=CNC=2C=CC=CC12)C=3C=CC(F)=CC3, inchikey: HXEVHHVNIPLMHF-UHFFFAOYSA-N, vendoridlabnotebookid: Z224125208, fragalysisref: MUREECA-x0716, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72059234, mcule: MCULE-6523050538, molport: MolPort-023-132-975 OSA_000607 target: MurE, smilesparent: COC=1C=CC(OCC2=CC(=O)N3C=C(C)C=CC3=N2)=C(C1)C(=O)N, inchikey: DVIVSURVJWASGG-UHFFFAOYSA-N, vendoridlabnotebookid: Z963434718, fragalysisref: MUREECA-x0717, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000051970719, emolecules: 32143011, pubchem: 47088335, mcule: MCULE-3976528746, molport: MolPort-009-114-763 OSA_000608 target: MurE, smilesparent: CC(CN(CC=1C=CC=CC1)C(=O)C2=NNC=3CCCCC23)C(=O)O, inchikey: XRBIQEQJRXVNKW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1444207363, fragalysisref: MUREECA-x0718, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75495527, mcule: MCULE-4121093460, molport: MolPort-029-909-201 OSA_000609 target: MurE, smilesparent: CC(C)C1=CC(=NN1)C(=O)NCCN2N=C3C=CC=CN3C2=O, inchikey: PYYRUCHIJBAMLH-UHFFFAOYSA-N, vendoridlabnotebookid: Z816645476, fragalysisref: MUREECA-x0719, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, chembl: CHEMBL3493798, zinc: ZINC000057240716, emolecules: 35735681, pubchem: 53502441, mcule: MCULE-1771350449, molport: MolPort-019-667-819 OSA_000610 target: MurE, smilesparent: CC(C)NC(=O)N1CCN(CC1)C(=O)C2=C(C)OC=3N=CNC(=O)C23, inchikey: AJONRUQKPQPCRH-UHFFFAOYSA-N, vendoridlabnotebookid: Z1127288512, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000069741573, emolecules: 36675931, pubchem: 53601464, mcule: MCULE-5830429292, molport: MolPort-020-081-791 OSA_000611 target: MurE, smilesparent: CCC1=NN=C(NC(=O)C(C)NC(=O)C=2NN=C3C=CC=CC23)S1, inchikey: SOGXYSLPLNKOQG-UHFFFAOYSA-N, vendoridlabnotebookid: Z1021209608, fragalysisref: MUREECA-x0720, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72148397, mcule: MCULE-9224228359, molport: MolPort-023-140-026 OSA_000612 target: MurE, smilesparent: COC=1C=CC(=CC1)C2=NC(CNC(=O)C=3C=NC(C)=CN3)=NN2, inchikey: FXAJXLLYUJAWHE-UHFFFAOYSA-N, vendoridlabnotebookid: Z1119645160, fragalysisref: MUREECA-x0721, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000069744080, emolecules: 36672747, pubchem: 53602215, mcule: MCULE-1971958014, molport: MolPort-020-080-523 OSA_000613 target: MurE, smilesparent: ClC=1C=CC=C(C1)C2=NN=C(NC(=O)C3CC3C=4C=CC=NC4)N2, inchikey: JQARLEGDBMSGFX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1231976709, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, pubchem: 72041404, mcule: MCULE-5581113564 OSA_000614 target: MurE, smilesparent: CCC1=NOC(CN(C)CC=2N=C(N)C=3C=CC=CC3N2)=N1, inchikey: UPHVVQNDLGMCNN-UHFFFAOYSA-N, vendoridlabnotebookid: Z1120825959, fragalysisref: MUREECA-x0722, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 36673303, pubchem: 53603225, mcule: MCULE-3135124674 OSA_000615 target: MurE, smilesparent: COC=1C=CC(CNC(C2=NNC(C)=N2)C=3C=CC=CC3)=CC1, inchikey: JOTHVBSAFBSXCH-UHFFFAOYSA-N, vendoridlabnotebookid: Z1084534512, fragalysisref: MUREECA-x0723, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72146772, mcule: MCULE-8560984295, molport: MolPort-023-141-273 OSA_000616 target: MurE, smilesparent: O=C(NCCNC(=O)C1=NC=2C=CC=CC2C(=O)N1)C=3C=CC=NC3, inchikey: MBVFJDISZYXZIX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1149164411, fragalysisref: MUREECA-x0724, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000020745196, emolecules: 30387966, pubchem: 135629200, mcule: MCULE-6445353120, molport: MolPort-008-351-058 OSA_000617 target: MurE, smilesparent: CC1=CC(=NN1C)C(=O)NC(C(=O)NC=2C=CNN2)C=3C=CC=CC3, inchikey: GRKMRZLREMBQGX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1191230807, fragalysisref: MUREECA-x0725, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72015986, mcule: MCULE-7478041989, molport: MolPort-028-270-309 OSA_000618 target: MurE, smilesparent: COC=1C=CC(=CC1)C2=NC(CNC(=O)C=3C=CC(O)=NC3)=NN2, inchikey: NCCMUQULKCEKQV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1119645296, fragalysisref: MUREECA-x0726, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000069774369, emolecules: 36672763, pubchem: 53604100, mcule: MCULE-7959943394, molport: MolPort-020-080-526 OSA_000619 target: MurE, smilesparent: NC(=O)C1=CC(=NN1C=2C=CC=CC2)C(=O)NC3CCC=4C=CC=CC34, inchikey: SIYVYHSNHIBWHH-UHFFFAOYSA-N, vendoridlabnotebookid: Z1172581671, fragalysisref: MUREECA-x0727, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 72137597, mcule: MCULE-2483648912, molport: MolPort-023-150-198 OSA_000620 target: MurE, smilesparent: CS(=O)C=1C=CC(CNC2CCCN(C2)C3=NC=CNC3=O)=CC1, inchikey: ZLWGXEUXSDFSJB-UHFFFAOYSA-N, vendoridlabnotebookid: Z1758013572, fragalysisref: MUREECA-x0728, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 128966920, molport: MolPort-039-147-875 OSA_000621 target: MurE, smilesparent: CN1C=C(C=N1)C2=NC(COC=3C=CC=CC3C(=O)N)=CS2, inchikey: ZQEPHTPLVDICQK-UHFFFAOYSA-N, vendoridlabnotebookid: Z650414262, fragalysisref: MUREECA-x0729, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000047171530, emolecules: 33308600, pubchem: 51085109, mcule: MCULE-2264336642, molport: MolPort-009-560-670 OSA_000622 target: MurE, smilesparent: CCC=1C=CC(NC(=O)C2=COC=3C=CC=CC23)=CC1S(=O)(=O)N, inchikey: SHLPMHSUUNRCIB-UHFFFAOYSA-N, vendoridlabnotebookid: Z1192820437, fragalysisref: MUREECA-x0730, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000072282054, pubchem: 72136024, mcule: MCULE-8003503123, molport: MolPort-023-151-756 OSA_000623 target: MurE, smilesparent: CCC1=CC=2C(NC3CCCC4=C3C=NN4CCO)=NC=NC2S1, inchikey: AGLDXVBKRBXCDP-UHFFFAOYSA-N, vendoridlabnotebookid: Z645321080, fragalysisref: MUREECA-x0731, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 36922136, pubchem: 56815412, mcule: MCULE-5823110795, molport: MolPort-020-118-183 OSA_000624 target: MurE, smilesparent: CC(C)C1=NOC(=N1)C(C)NC=2C=CC=C(C2)N3CCCNC3=O, inchikey: GZEMXPCQTKAOIN-UHFFFAOYSA-N, vendoridlabnotebookid: Z1282105741, fragalysisref: MUREECA-x0732, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 71990832, mcule: MCULE-8002236805, molport: MolPort-028-295-812 OSA_000625 target: MurE, smilesparent: O=C(CC1=CSC(=N1)C=2C=CC=NC2)NC=3C=CNN3, inchikey: ZRRFTKWGMWADEN-UHFFFAOYSA-N, vendoridlabnotebookid: Z910731756, fragalysisref: MUREECA-x0733, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK: Melted, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000058378541, emolecules: 33316939, pubchem: 51097487, mcule: MCULE-2090537604, molport: MolPort-009-576-753 OSA_000626 target: MurE, smilesparent: CS(=O)C1=NN=CN1CC2=CSC(NC=3C=CC=CC3C)=N2, inchikey: YCGNZKYOSPWIFF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1328965766, fragalysisref: MUREECA-x0734, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 71925026, mcule: MCULE-8185171346, molport: MolPort-023-239-093 OSA_000627 target: MurE, smilesparent: CC=1C=C(NC(=O)CCC2=C(C)C=3C(C)=NN(C)C3NC2=O)NN1, inchikey: NAVAEIIFQVODGW-UHFFFAOYSA-N, vendoridlabnotebookid: Z666232532, fragalysisref: MUREECA-x0735, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK: Melted, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000071814852, emolecules: 36923414, pubchem: 136197045, mcule: MCULE-2784640393, molport: MolPort-020-119-083 OSA_000628 target: MurE, smilesparent: COC=1C=C(C=CN1)[C@H]2OCCC[C@@H]2NC(=O)C=3C=C(NN3)C(C)C, inchikey: RVCLAGUILFPPAM-SUMWQHHRSA-N, vendoridlabnotebookid: Z1756824711, fragalysisref: MUREECA-x0736, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, zinc: ZINC000299744291, pubchem: 120425413, molport: MolPort-039-149-102 OSA_000629 target: MurE, smilesparent: CC(NC(=O)C1=CC(Cl)=CN1)C=2C=CC(=CC2)N3C=CN=C3, inchikey: QQVAVCHHSMKPDA-UHFFFAOYSA-N, vendoridlabnotebookid: Z109305448, fragalysisref: MUREECA-x0737, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 31854341, pubchem: 51110533, mcule: MCULE-8456372311, molport: MolPort-009-385-414 OSA_000630 target: MurE, smilesparent: CC(C)C1=NN=C(O1)C2CN(CCO2)C(=O)C=3C=CC=C4C=NNC34, inchikey: NWDGUNQHRILBPC-UHFFFAOYSA-N, vendoridlabnotebookid: Z1754197948, fragalysisref: MUREECA-x0738, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 128968886, molport: MolPort-039-149-934 OSA_000631 target: MurE, smilesparent: O=C1CNC(=O)N1CC=2C=CC(=CC2)C3=NC=4C=CC=CC4C(=O)N3, inchikey: MSABHXUZVKSEJF-UHFFFAOYSA-N, vendoridlabnotebookid: Z666586994, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, pdbligand: F35, zinc: ZINC000053846154, emolecules: 32040902, pubchem: 136185745, mcule: MCULE-8359675642, molport: MolPort-009-563-760 OSA_000632 target: MurE, smilesparent: CNC=1C=C(N=CN1)N2CCCC2CNC=3C=CC4=NN=NN4N3, inchikey: YDKKDOIUACSGSF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1139198732, fragalysisref: MUREECA-x0739, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 36952141, pubchem: 56777983, mcule: MCULE-8735731934, molport: MolPort-020-019-151 OSA_000633 target: MurE, smilesparent: OC=1C=CC(CNC2=CC=CC3=CNN=C23)=CC1, inchikey: ROBBWCOIOYGWJJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z3228283128, fragalysisref: MUREECA-x0740, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000037100141, emolecules: 31707531, pubchem: 43730822, mcule: MCULE-3679159548, molport: MolPort-016-635-939 OSA_000634 target: MurE, smilesparent: COC=1C=CC(CNC(=O)C2=NNC=3C=CC=CC23)=CN1, inchikey: RGDMCPASUIQSRP-UHFFFAOYSA-N, vendoridlabnotebookid: Z221228892, fragalysisref: MUREECA-x0741, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000011112109, emolecules: 13997734, pubchem: 16602275, mcule: MCULE-7829391644, molport: MolPort-009-436-314 OSA_000635 target: MurE, smilesparent: CC(SC=1N=C(N)C=2C=CSC2N1)C=3C=CC=C(C3)[N+](=O)[O-], inchikey: JXWZXMAEAGLPKX-UHFFFAOYSA-N, vendoridlabnotebookid: Z166467536, fragalysisref: MUREECA-x0742, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 33338124, pubchem: 51111009, mcule: MCULE-6206555189, molport: MolPort-009-409-606 OSA_000636 target: MurE, smilesparent: NC(=O)C=1C=CC(=CN1)C(=O)N2CCC(C2)OC=3C=CC=CN3, inchikey: NRUPSBRDRBYOHX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1432909170, fragalysisref: MUREECA-x0743, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 137838860, molport: MolPort-044-437-875 OSA_000637 target: MurE, smilesparent: CC=1C(CSC=2N=C(N)C=3C=CSC3N2)=CC=CC1[N+](=O)[O-], inchikey: RSDWZFSXAACFRY-UHFFFAOYSA-N, vendoridlabnotebookid: Z441212406, fragalysisref: MUREECA-x0744, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000058377839, emolecules: 33351512, pubchem: 51117068, mcule: MCULE-5543532087, molport: MolPort-009-327-179 OSA_000638 target: MurE, smilesparent: CC1=NN=C(CN2CCCC(C2)C3=NNC(=N3)C=4C=CC=CC4)S1, inchikey: JUULFHSQFOADKD-UHFFFAOYSA-N, vendoridlabnotebookid: Z1614131615, fragalysisref: MUREECA-x0745, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 121531262, molport: MolPort-039-080-772 OSA_000639 target: MurE, smilesparent: OC=1C=CC(=CN1)C(=O)NCCNC(=O)C=2NN=C3C=CC=CC23, inchikey: KMCISXKVSOIFHD-UHFFFAOYSA-N, vendoridlabnotebookid: Z981111724, fragalysisref: MUREECA-x0746, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000058356455, emolecules: 33321409, pubchem: 51103555, mcule: MCULE-7113683331, molport: MolPort-009-584-964 OSA_000640 target: MurE, smilesparent: CC1=NNC=2N=CC(NCC=3C=CC(C#N)=CC3)=CC12, inchikey: ZCSWEMGIBKXQEO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1802347005, fragalysisref: MUREECA-x0747, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000189344574, pubchem: 99827747 OSA_000641 target: MurE, smilesparent: COC(=O)CN1N=CC=2C(NCC=3C=NC(O)=NC3O)=NC=NC12, inchikey: KJELDHVAMYLLTQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1262404550, fragalysisref: MUREECA-x0748, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000072296191, pubchem: 72126284, mcule: MCULE-6840719667, molport: MolPort-023-162-088 OSA_000642 target: MurE, smilesparent: NC(=O)C=1C=CC(NS(=O)(=O)C2=CC(=CS2)C(=O)O)=CC1, inchikey: UKJMJYLLAAQYAV-UHFFFAOYSA-N, vendoridlabnotebookid: Z132931720, fragalysisref: MUREECA-x0749, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000015243395, emolecules: 33299817, pubchem: 26487025, mcule: MCULE-4340570581, molport: MolPort-005-208-374 OSA_000643 target: MurE, smilesparent: CNC(=O)NC(=O)C(C)SC=1N=C(N)C=2C(C)=C(C)SC2N1, inchikey: PUFIRYBGKILWEE-UHFFFAOYSA-N, vendoridlabnotebookid: Z324593544, fragalysisref: MUREECA-x0750, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 24097053, pubchem: 42890187, mcule: MCULE-2931081383, molport: MolPort-007-335-671 OSA_000644 target: MurE, smilesparent: NC=1N=C(SCCCC2=NC=3C=CC=CC3O2)N=C4SC=CC14, inchikey: XKEDYNFBRCTNGR-UHFFFAOYSA-N, vendoridlabnotebookid: Z821301506, fragalysisref: MUREECA-x0751, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000058344499, emolecules: 33361263, pubchem: 51125856, mcule: MCULE-4146306553, molport: MolPort-009-349-631 OSA_000645 target: MurE, smilesparent: CCC(CCO)CNC1=NN2C(=O)C=CN=C2S1, inchikey: BGVJAFWYCYPIRT-UHFFFAOYSA-N, vendoridlabnotebookid: Z1396653646, fragalysisref: MUREECA-x0752, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 71855452, mcule: MCULE-6095104144, molport: MolPort-023-243-590 OSA_000646 target: MurE, smilesparent: CC1=NN(C)C=2NC(=O)C(CCC(=O)NCC3=CC=NN3C)=C(C)C12, inchikey: IGUQIWBRYCRDJF-UHFFFAOYSA-N, vendoridlabnotebookid: Z371624082, fragalysisref: MUREECA-x0753, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000047458558, emolecules: 36913746, pubchem: 136124572, mcule: MCULE-2001420146, molport: MolPort-020-111-578 OSA_000647 target: MurE, smilesparent: CC(C)(C)C1=CN2N=C(NCCCC3=NC(=O)NN3)SC2=N1, inchikey: OUWSEANHDSPGDU-UHFFFAOYSA-N, vendoridlabnotebookid: Z1341629225, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000075094334, pubchem: 136266338, mcule: MCULE-1370316004 OSA_000648 target: MurE, smilesparent: CC1=NC2=NC(N)=NN2C(C)=C1CC(=O)N3CCOC4CCCCC43, inchikey: NJQKTPQUACSGFL-UHFFFAOYSA-N, vendoridlabnotebookid: Z886909616, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, emolecules: 37012425, pubchem: 56799492, mcule: MCULE-1268560504, molport: MolPort-020-068-115 OSA_000649 target: MurE, smilesparent: O=C(CCC1CC=2C=CC=CC2NC1=O)NCC=3C=CC=NC3, inchikey: HQYBXKQTOMERFK-UHFFFAOYSA-N, vendoridlabnotebookid: Z223671374, fragalysisref: MUREECA-x0754, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 24954583, pubchem: 42930869, mcule: MCULE-4948831147, molport: MolPort-009-437-850 OSA_000650 target: MurE, smilesparent: CC(NC(=O)C=1C=CC=NC1O)C=2C=CC=3NC(=O)NC3C2, inchikey: YYTPWCVXQQMZID-UHFFFAOYSA-N, vendoridlabnotebookid: Z666645730, fragalysisref: MUREECA-x0755, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 37000949, pubchem: 56809142, mcule: MCULE-2143682236, molport: MolPort-020-101-291 OSA_000651 target: MurE, smilesparent: ClC=1C=CC(=CC1NC(=O)CCC=2C=CC=NC2)N3CCNC3=O, inchikey: GPGCUPTUCNNABB-UHFFFAOYSA-N, vendoridlabnotebookid: Z1185124459, fragalysisref: MUREECA-x0756, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000072281015, pubchem: 72136824, mcule: MCULE-4700827166, molport: MolPort-023-150-952 OSA_000652 target: MurE, smilesparent: O=C(CC1=CNC=2N=CC=CC12)N3CCCC(C3)N4CCNC4=O, inchikey: CEQYKGBCRMOBTK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1400890685, fragalysisref: MUREECA-x0757, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 137854722, molport: MolPort-044-454-514 OSA_000653 target: MurE, smilesparent: CC(=O)NC=1C=CC=C(NC(=O)CN2C=CC=CC2=O)C1, inchikey: FKPWIXQFONDJCF-UHFFFAOYSA-N, vendoridlabnotebookid: Z51853629, fragalysisref: MUREECA-x0758, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000017477622, pubchem: 24248583, mcule: MCULE-5301374690, molport: MolPort-007-434-414 OSA_000654 target: MurE, smilesparent: CC(C(=O)NCC1=NNC(C)=N1)N2N=NC(=N2)C=3C=CC=CC3, inchikey: ALTDVGFDBKKWDV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1274121018, fragalysisref: MUREECA-x0759, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, pubchem: 72118941, mcule: MCULE-5561203126, molport: MolPort-023-169-841 OSA_000655 target: MurE, smilesparent: CC=1SC=2N=C(CSC=3N=CC=CC3C(=O)O)N=C(N)C2C1C, inchikey: KJEORLGJPGWLTQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z317045196, fragalysisref: MUREECA-x0760, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000024926995, emolecules: 17218409, pubchem: 32235758, mcule: MCULE-7318568009, molport: MolPort-009-174-574 OSA_000656 target: MurE, smilesparent: OC(=O)C=1C=CC(CCNC(=O)CC2=CNC=3C=CC=CC23)=CC1, inchikey: OADFNXGULQOVCZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z224221052, fragalysisref: MUREECA-x0761, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000084590519, pubchem: 71900120, mcule: MCULE-9158591910, molport: MolPort-027-713-610 OSA_000657 target: MurE, smilesparent: COC=1C=CC(CNC(=O)C2=NNC=3C=CC=CC23)=CC1C(=O)O, inchikey: FEFNAHLBFRVIRC-UHFFFAOYSA-N, vendoridlabnotebookid: Z224264812, fragalysisref: MUREECA-x0762, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, zinc: ZINC000025063280, emolecules: 17200822, pubchem: 32375942, mcule: MCULE-2968177643, molport: MolPort-005-746-118 OSA_000658 target: MurE, smilesparent: COC=1C=CC(NC(=O)CS(=O)CC=2C=CC=C(C2)C(=O)N)=CC1, inchikey: PHUCWDAYIVTOMM-UHFFFAOYSA-N, vendoridlabnotebookid: Z1138020853, fragalysisref: MUREECA-x0763, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 71878717, mcule: MCULE-3038291398, molport: MolPort-027-705-973 OSA_000659 target: MurE, smilesparent: CC1=CC(=NO1)C(=O)NC(C(=O)NC=2C=CNN2)C=3C=CC=CC3, inchikey: SXHOBEKDSMDMMN-UHFFFAOYSA-N, vendoridlabnotebookid: Z1126979295, fragalysisref: MUREECA-x0764, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 122158353, molport: MolPort-042-607-451 OSA_000660 target: MurE, smilesparent: NC=1N=C(CN2CCCCC2CN3C=NC=N3)N=C4C=CC=CC14, inchikey: BITNYIGKOOGXOL-UHFFFAOYSA-N, vendoridlabnotebookid: Z1141132968, fragalysisref: MUREECA-x0765, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, chembl: CHEMBL3488798, emolecules: 36959023, pubchem: 56781430, mcule: MCULE-4235845017, molport: MolPort-020-036-017 OSA_000661 target: MurE, smilesparent: COC=1C=CC(CN2C=C(C=N2)C(=O)N3CCCC3CN)=CC1, inchikey: BEYBSMPNBVUDBN-UHFFFAOYSA-N, vendoridlabnotebookid: Z2242917793, fragalysisref: MUREECA-x0766, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, pubchem: 119633166, molport: MolPort-039-306-221 OSA_000662 target: MurE, smilesparent: OCC1CCCN(C1)C=2C=C(NCC=3C=CC=4N=CC=CC4C3)N=CN2, inchikey: OYVQPFKJOKHZKJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1958483455, fragalysisref: MUREECA-x0767, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 132297325, molport: MolPort-044-583-229 OSA_000663 target: MurE, smilesparent: C[C@@H]1CN(C[C@H]1C(=O)O)C(=O)CC=2C=CC=3C=NNC3C2, inchikey: KDBPLAGVAACFDW-BXKDBHETSA-N, vendoridlabnotebookid: |Z2376880965, fragalysisref: MUREECA-x0768, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 122112097, molport: MolPort-042-538-991 OSA_000664 target: MurE, smilesparent: OC(=O)C=1C=CC(CNC(=O)C2CCC(=O)N2)=CC1, inchikey: VPPDSMASTZRTET-UHFFFAOYSA-N, vendoridlabnotebookid: Z1455155305, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL, pubchem: 24697914, molport: MolPort-004-337-162 OSA_000665 target: MurE, smilesparent: CC=1C=CC=2NN=C(C(=O)NC3CCC(CC3)C(=O)O)C2C1, inchikey: IEFBRCZGVVYACS-UHFFFAOYSA-N, vendoridlabnotebookid: Z1570104769, fragalysisref: MUREECA-x0769, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000237863933, pubchem: 120184992 OSA_000666 target: MurE, smilesparent: OC(=O)CCC(NC(=O)CC1=CNC=2N=CC=CC12)C=3C=CC=CC3, inchikey: YBDQVLCXCANBCZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1869684220, fragalysisref: MUREECA-x0770, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 126790489, molport: MolPort-044-507-476 OSA_000667 target: MurE, smilesparent: NC(=O)COC=1C=CC(CCNC2=NC=3C=CC=CC3O2)=CC1, inchikey: BTNSTMFWSMUIFI-UHFFFAOYSA-N, vendoridlabnotebookid: Z645390922, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL, zinc: ZINC000044976341, emolecules: 32029336, pubchem: 45833955, mcule: MCULE-9627705698, molport: MolPort-009-078-143 OSA_000668 target: MurE, smilesparent: CC=1C=CC=2NN=C(C(=O)N3CCOC(C3)C4=NN=CN4C)C2C1, inchikey: SLIQZICVBJEKBA-UHFFFAOYSA-N, vendoridlabnotebookid: Z1757022852, fragalysisref: MUREECA-x0771, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 129006431, molport: MolPort-039-191-633 OSA_000669 target: MurE, smilesparent: CC=1C=CC=2NN=C(C(=O)N3CCC(C3)C(=O)O)C2C1, inchikey: OJPWTRFGKLUYNL-UHFFFAOYSA-N, vendoridlabnotebookid: Z1528727319, fragalysisref: MUREECA-x0772, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 120080174 OSA_000670 target: MurE, smilesparent: CN1C=C(C=C1C(=O)NC(C)(C)CCC(=O)O)C(=O)N, inchikey: ZKWKRQWKGKLTFX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1455199553, fragalysisref: MUREECA-x0773, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000237874579, pubchem: 119357319, molport: MolPort-039-300-078 OSA_000671 target: MurE, smilesparent: CN(C1CCNC1)C(=O)CN2C(=O)NC=3C=CC=CC3C2=O, inchikey: BSHKNQJEPSVJTH-UHFFFAOYSA-N, vendoridlabnotebookid: Z2242912768, fragalysisref: MUREECA-x0774, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 121575117, mcule: MCULE-5402947420, molport: MolPort-039-304-256 OSA_000672 target: MurE, smilesparent: CN(CC=1C=CC(OC(F)F)=CC1)C(=O)C=2C=NC3=NNC(C)=C3C2, inchikey: JDXMAMLLTPOJPN-UHFFFAOYSA-N, vendoridlabnotebookid: Z752254022, fragalysisref: MUREECA-x0775, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000079974160, pubchem: 122133755, mcule: MCULE-4270007589, molport: MolPort-042-582-200 OSA_000673 target: MurE, smilesparent: CN(CC(=O)NCC1=NN=C2CCCCN12)C=3N=CN=C4N=CNC34, inchikey: XZLNKGKONLFLAK-UHFFFAOYSA-N, vendoridlabnotebookid: Z769794590, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000095954263, pubchem: 75479736, mcule: MCULE-7552713423, molport: MolPort-028-948-085 OSA_000674 target: MurE, smilesparent: CC=1C=C(NN1)C(=O)NCC=2C=CN=C(C2)N3C=CC=N3, inchikey: QPVGDTLWDSRYGW-UHFFFAOYSA-N, vendoridlabnotebookid: Z733239458, fragalysisref: MUREECA-x0776, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000170640480, pubchem: 99811446, mcule: MCULE-4044250118, molport: MolPort-035-832-015 OSA_000675 target: MurE, smilesparent: COC=1C=C(CNC(=O)C2=NNC=3C=CC=CC23)C=CN1, inchikey: DSVSUZZGELRMBV-UHFFFAOYSA-N, vendoridlabnotebookid: Z243563742, fragalysisref: MUREECA-x0777, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000012735693, emolecules: 18818505, pubchem: 18155587, mcule: MCULE-2576701689, molport: MolPort-009-467-501 OSA_000676 target: MurE, smilesparent: NC(=O)C1CCN(C1)C(=O)CCC2=NC=3C=CC=CC3C(=O)N2, inchikey: USPMDIMLXJZNMN-UHFFFAOYSA-N, vendoridlabnotebookid: Z666947144, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, emolecules: 35726644, pubchem: 136051482, mcule: MCULE-9379644608, molport: MolPort-019-663-420 OSA_000677 target: MurE, smilesparent: O=C(NCCC1=CNC=2C=CC=CC12)C3=NNC(=O)C=4C=CC=CC34, inchikey: ZTFSQZIWZPTIKH-UHFFFAOYSA-N, vendoridlabnotebookid: Z26395418, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL, zinc: ZINC000009387255, emolecules: 11957891, pubchem: 17418655, mcule: MCULE-9453476042, molport: MolPort-005-708-312 OSA_000678 target: MurE, smilesparent: CC1=CC(NC(=O)CN(CC=2C=CNN2)CC=3C=CC=CC3)=NO1, inchikey: WTPCKNRLJRWKOD-UHFFFAOYSA-N, vendoridlabnotebookid: Z1127139266, fragalysisref: MUREECA-x0778, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000065474844, emolecules: 35770475, pubchem: 53539405, mcule: MCULE-2282112452, molport: MolPort-019-684-873 OSA_000679 target: MurE, smilesparent: NC=1N=C(CN2C=NC(C#N)=N2)N=C3C=CC=CC13, inchikey: VYILSBNSBLNCLO-UHFFFAOYSA-N, vendoridlabnotebookid: Z228468604, fragalysisref: MUREECA-x0779, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000014144396, emolecules: 23963835, pubchem: 25962300, mcule: MCULE-6072725007, molport: MolPort-005-700-859 OSA_000680 target: MurE, smilesparent: NC(=O)CN1CCCN(CC1)C(=O)CC=2C=NN(C2)C=3C=CC=CC3, inchikey: PHSDQSFSJYEGDN-UHFFFAOYSA-N, vendoridlabnotebookid: Z845333020, fragalysisref: MUREECA-x0780, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000065475112, emolecules: 35738461, pubchem: 48172529, mcule: MCULE-5111319784, molport: MolPort-019-669-172 OSA_000681 target: MurE, smilesparent: CC=1C=C(C)C=C(C1)C2=NN=C(SCC=3N=C(N)N=C(N)N3)O2, inchikey: HWAMAJNBCQYEBR-UHFFFAOYSA-N, vendoridlabnotebookid: Z92636259, fragalysisref: MUREECA-x0781, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000007073973, emolecules: 24466216, pubchem: 8203939, mcule: MCULE-1967398754, molport: MolPort-009-371-208 OSA_000682 target: MurE, smilesparent: CCN(CC=1C=CC(OC)=C(F)C1)CC=2N=C(N)N=C(N)N2, inchikey: NMLOBAVBJHISEQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z103948276, fragalysisref: MUREECA-x0782, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000056635789, emolecules: 17188491, pubchem: 8912155, mcule: MCULE-3533194835, molport: MolPort-005-683-922 OSA_000683 target: MurE, smilesparent: CNC1=NC(CNC2=NN3C=C(C)N=C3S2)=CS1, inchikey: MHETWZSHIUQLFT-UHFFFAOYSA-N, vendoridlabnotebookid: Z1270084123, fragalysisref: MUREECA-x0783, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000076061234, pubchem: 72120795, mcule: MCULE-7496452285, molport: MolPort-023-167-878 OSA_000684 target: MurE, smilesparent: CNS(=O)(=O)C=1C=CC(=CN1)C(=O)NC(C)C=2C=CNN2, inchikey: YZNVEQXWWHMYAN-UHFFFAOYSA-N, vendoridlabnotebookid: Z2379492132, fragalysisref: MUREECA-x0784, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 122144647, molport: MolPort-042-593-345 OSA_000685 target: MurE, smilesparent: CC1=CC(C)=C(CNC(=O)C2=CNC=3N=CC=CC23)C(=O)N1, inchikey: RWCNFJBSBAEEBA-UHFFFAOYSA-N, vendoridlabnotebookid: Z804108370, fragalysisref: MUREECA-x0785, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000089568559, pubchem: 71887541, mcule: MCULE-9587331054, molport: MolPort-028-836-095 OSA_000686 target: MurE, smilesparent: CC1=CC(CC(=O)NC=2C=CC=C(OC=3C=NC=CN3)C2)=NN1, inchikey: XMWQNLIPHQPBQH-UHFFFAOYSA-N, vendoridlabnotebookid: Z1389502856, fragalysisref: MUREECA-x0786, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000089599173, pubchem: 71856892, mcule: MCULE-4899106559, molport: MolPort-028-843-553 OSA_000687 target: MurE, smilesparent: COC=1C=CC(=CC1)C(C)(C)C(=O)NCCC=2C=CC=C(C2)C(=O)N, inchikey: ZTUVVUJUTCTQKS-UHFFFAOYSA-N, vendoridlabnotebookid: Z1438836112, fragalysisref: MUREECA-x0787, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000095421100, pubchem: 75382994, mcule: MCULE-3539237976, molport: MolPort-027-912-052 OSA_000688 target: MurE, smilesparent: O=C(CCN1C=CC=N1)NC(C(=O)NC=2C=CNN2)C=3C=CC=CC3, inchikey: HEFHKBYOIMEWQW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1191230926, fragalysisref: MUREECA-x0788, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 71876330, mcule: MCULE-7162825734, molport: MolPort-028-840-458 OSA_000689 target: MurE, smilesparent: ClC1=CC=C(S1)C2=CC(NC(=O)CC=3C=CC=NC3)=NN2, inchikey: LSEZLMKDLDRVGE-UHFFFAOYSA-N, vendoridlabnotebookid: Z1523053611, fragalysisref: MUREECA-x0789, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000095441606, pubchem: 75390555, mcule: MCULE-8446415856, molport: MolPort-027-922-994 OSA_000690 target: MurE, smilesparent: CC(C)CC=1C=C(NN1)C(=O)NCCC2=NOC(=N2)C=3C=CC=CN3, inchikey: RPTMOSAIDRSDOG-UHFFFAOYSA-N, vendoridlabnotebookid: Z1174872997, fragalysisref: MUREECA-x0790, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000096405462, pubchem: 72018923, mcule: MCULE-4093535598, molport: MolPort-028-267-340 OSA_000691 target: MurE, smilesparent: CN1N=CC=2C(N)=NC(=NC12)N3CCC(CN4C=CN=N4)CC3, inchikey: AHJCLGFEHXBJQK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1787637438, fragalysisref: MUREECA-x0791, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000275846286, pubchem: 121551706, molport: MolPort-039-238-900 OSA_000692 target: MurE, smilesparent: CC(C)C1=NC(CN(C)C2CCN(C2)C(=O)C3=CC(C)=NN3)=NO1, inchikey: OZISRUMZHDGWSG-UHFFFAOYSA-N, vendoridlabnotebookid: Z1411438547, fragalysisref: MUREECA-x0792, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: Failed - low resolution, pubchem: 121547826, molport: MolPort-039-234-177 OSA_000693 target: MurE, smilesparent: CC1=NC(=CN1)C(=O)NC[C@@H]2C[C@H](F)CN2CC=3C=NN(C)C3, inchikey: KPCHIBWEJSWQKL-STQMWFEESA-N, vendoridlabnotebookid: Z1759277492, fragalysisref: MUREECA-x0793, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000328631542, pubchem: 128974867 OSA_000694 target: MurE, smilesparent: CCN(CC=1C=CC=2OCOC2C1)C(=O)C=3C=NC4=NNC(C)=C4C3, inchikey: DXPODJACSVWUFP-UHFFFAOYSA-N, vendoridlabnotebookid: Z729805042, fragalysisref: MUREECA-x0794, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 126767845, mcule: MCULE-8951479649, molport: MolPort-044-489-885 OSA_000695 target: MurE, smilesparent: CCC=1N=CC(NC(=O)N2CCCCC2C=3N=CNN3)=CN1, inchikey: BKALQFVTSODMMV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1671598133, fragalysisref: MUREECA-x0795, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 126768996, mcule: MCULE-4362009164, molport: MolPort-044-490-868 OSA_000696 target: MurE, smilesparent: CNC(=O)C=1C=C(OC2CCN(C2)C(=O)C3=CC=CN3)C=CN1, inchikey: PSHDLMZHWWWQBV-UHFFFAOYSA-N, vendoridlabnotebookid: Z1204553247, fragalysisref: MUREECA-x0796, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 137868014, molport: MolPort-044-468-417 OSA_000697 target: MurE, smilesparent: CC(C)N1C=C(CNC=2C=CC(Cl)=C(C2)N3CCNC3=O)C=N1, inchikey: XULWTXJGCMJYIQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z1984528335, fragalysisref: MUREECA-x0797, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000341442629, pubchem: 122143314 OSA_000698 target: MurE, smilesparent: C(N1CCCC(C1)C2=NNC(=N2)C=3C=CC=CC3)C=4C=CON4, inchikey: UKGVPYSMOKMIDW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1614129093, fragalysisref: MUREECA-x0798, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 121531258, mcule: MCULE-7662097913, molport: MolPort-039-080-768 OSA_000699 target: MurE, smilesparent: CN1CCC(O)(CC1)C=2C=CC=C(Cl)N2, inchikey: WCYITQHDNRJEQQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z2204483625, fragalysisref: MUREECA-x0799, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000036427005, emolecules: 601031, thomsonpharma: 16885265, pubchem: 11775897, mcule: MCULE-7912971421, molport: MolPort-028-950-751, japanesechemicals: J1.253.886C OSA_000700 target: MurE, smilesparent: CC1=NOC(=N1)C2CCN(CC=3C=C4C=CC=CC4=NC3O)C2, inchikey: ODMZMAJHLZMMOX-UHFFFAOYSA-N, vendoridlabnotebookid: Z2054653686, fragalysisref: MUREECA-x0800, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 128983235, molport: MolPort-039-166-157 OSA_000701 target: MurE, smilesparent: CN1CCC(O)(CC1)C=2C=CC(Cl)=NC2, inchikey: VFEQGPWOWNVVQB-UHFFFAOYSA-N, vendoridlabnotebookid: Z3243694072, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL, ligandbound: No, chembl: CHEMBL1192046, zinc: ZINC000027657092, emolecules: 601651, pubchem: 44369509, mcule: MCULE-8539310791, molport: MolPort-028-950-693 OSA_000702 target: MurE, smilesparent: CCCN(CC1=NC=2C=C(Cl)C=CC2C(=O)N1)C(=O)C=3C=CNN3, inchikey: GOPOYDVODUOCLF-UHFFFAOYSA-N, vendoridlabnotebookid: Z381616952, fragalysisref: MUREECA-x0801, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000047989262, pubchem: 136576714, molport: MolPort-039-249-038 OSA_000703 target: MurE, smilesparent: CN1CC(NCC1=O)C=2C=CC=CC2, inchikey: XTZUZTPCFNPDJJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z3242731200, fragalysisref: MUREECA-x0802, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 83697708, molport: MolPort-029-529-985 OSA_000704 target: MurE, smilesparent: FC(F)OC=1C=CC(CCC(=O)N2CCCC3=NNC=C23)=CC1, inchikey: DZYZRRJTUVTFJW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1928111543, fragalysisref: MUREECA-x0803, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 132296077 OSA_000705 target: MurE, smilesparent: COC=1C=CC(CN2CCC2CN)=CC1, inchikey: IGATUJRVDKEGIF-UHFFFAOYSA-N, vendoridlabnotebookid: Z2491498223, fragalysisref: MUREECA-x0804, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, pubchem: 134690683, molport: MolPort-042-683-385 OSA_000706 target: MurE, smilesparent: CC(=O)NC=1C=CC(SC=2C=CC3=NN=C(N)N3N2)=CC1, inchikey: DDVAGHQEXKJINC-UHFFFAOYSA-N, vendoridlabnotebookid: Z285688150, fragalysisref: MUREECA-x0805, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000024990850, emolecules: 17202887, pubchem: 32299980, mcule: MCULE-2271128616, molport: MolPort-005-688-333 OSA_000707 target: MurE, smilesparent: NC=1NN=C(CCCNC=2C=CC3=NN=NN3N2)C1C#N, inchikey: BIYSVJSGTYSRIP-UHFFFAOYSA-N, vendoridlabnotebookid: Z220420794, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL, zinc: ZINC000015514608, emolecules: 15276150, pubchem: 24590293, mcule: MCULE-1762956540, molport: MolPort-004-537-180 OSA_000708 target: MurE, smilesparent: COC=1C=CC(CNC(=O)C2=CC(=NN2)C=3C=CC(C)=CC3)=CN1, inchikey: PQNYOYHYIDZHFM-UHFFFAOYSA-N, vendoridlabnotebookid: Z226215246, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, zinc: ZINC000010989577, emolecules: 17169839, pubchem: 24235121, mcule: MCULE-9401988746, molport: MolPort-005-678-087 OSA_000709 target: MurE, smilesparent: COC=1C=CC(=CC1)C2CCCN2C=3C=C(C=CN3)C(=O)N, inchikey: SEXXUARRUATUHQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z954441040, fragalysisref: MUREECA-x0806, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 71935129, mcule: MCULE-6700939368, molport: MolPort-027-651-979 OSA_000710 target: MurE, smilesparent: NC(=O)C=1C=CC=CC1NCC=2C=CC(C#N)=CC2, inchikey: VIQSMZMILVZLLA-UHFFFAOYSA-N, vendoridlabnotebookid: Z232515128, fragalysisref: MUREECA-x0807, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000010848351, emolecules: 14006368, pubchem: 16606599, mcule: MCULE-5702968512, molport: MolPort-009-140-404 OSA_000711 target: MurE, smilesparent: CNC=1C=C(C(=O)NCCNC(=O)C(C)(C)C)C=2C=CC=CC2N1, inchikey: CDUUXTUSZMGFRS-UHFFFAOYSA-N, vendoridlabnotebookid: Z1314018002, fragalysisref: MUREECA-x0808, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000073227909, pubchem: 71866884, mcule: MCULE-8928517717, molport: MolPort-027-710-880 OSA_000712 target: MurE, smilesparent: COC=1C=C(CNC(=O)C2=CC(Cl)=CN2)C=CC1OCC(=O)N, inchikey: ANHSWAYOWGSHLR-UHFFFAOYSA-N, vendoridlabnotebookid: Z666250770, fragalysisref: MUREECA-x0809, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000065463767, emolecules: 35726442, pubchem: 53506732, mcule: MCULE-8138793073, molport: MolPort-019-663-319 OSA_000713 target: MurE, smilesparent: COC(=O)C=1C=CC(CNC(=O)C2=C(C)OC=3N=CNC(=O)C23)=CC1, inchikey: BIFUAKUPXXHLRX-UHFFFAOYSA-N, vendoridlabnotebookid: Z139942108, fragalysisref: MUREECA-x0810, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000061396652, pubchem: 71901837, mcule: MCULE-8514500142, molport: MolPort-027-688-561 OSA_000714 target: MurE, smilesparent: CN(CC1=NC=2C=CC=CC2C(=O)N1)CC3=NC=4C=CC=CC4NC3=O, inchikey: AFNKDXXXTBHUSH-UHFFFAOYSA-N, vendoridlabnotebookid: Z991004054, fragalysisref: MUREECA-x0811, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000065458194, emolecules: 35755911, pubchem: 135965680, mcule: MCULE-7717206942, molport: MolPort-019-677-733 OSA_000715 target: MurE, smilesparent: NC(=O)C=1C=CC=CC1OCC2=CN(N=N2)C=3C=CC(Cl)=CC3, inchikey: GAJQZGAKULLYJC-UHFFFAOYSA-N, vendoridlabnotebookid: Z1376464081, fragalysisref: MUREECA-x0812, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000084497879, pubchem: 71858548, mcule: MCULE-6408071591, molport: MolPort-027-679-619 OSA_000716 target: MurE, smilesparent: O[C@@H]1COC[C@H]1N2C=C(N=N2)C(=O)NCC=3C=CC=4OCCC4C3, inchikey: IIUWDCALOCMDPQ-ZIAGYGMSSA-N, vendoridlabnotebookid: Z2400432799, fragalysisref: MUREECA-x0813, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 132309674, molport: MolPort-044-596-262 OSA_000717 target: MurE, smilesparent: CN(CC=1C=CC(Cl)=NC1)C2CC2, inchikey: LNLTZMGDKDERSX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1169033594, fragalysisref: MUREECA-x0814, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000037081095, pubchem: 43264947, molport: MolPort-012-573-954 OSA_000718 target: MurE, smilesparent: O=C(N1CCCC(C1)N2CCNC2=O)C=3C=CC=C4C=CNC34, inchikey: GIYHYQVMWLBOTP-UHFFFAOYSA-N, vendoridlabnotebookid: Z1273698874, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL OSA_000719 target: MurE, smilesparent: CCCC(C)NC=1C=CC=C(C#N)C1, inchikey: OAGTZESRZPUXRX-UHFFFAOYSA-N, vendoridlabnotebookid: Z1642151030, fragalysisref: MUREECA-x0815, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 91647602, molport: MolPort-035-748-885 OSA_000720 target: MurE, smilesparent: CC=1C=CC=2NN=C(C(=O)NC(CN)C3CC3)C2C1, inchikey: IISMKZTUOGRASZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z2440418079, fragalysisref: MUREECA-x0816, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 122148028, molport: MolPort-042-596-786 OSA_000721 target: MurE, smilesparent: CN1CCNC(=O)C1C=2C=CC=CC2Cl, inchikey: VQKGRAZSTPBGCI-UHFFFAOYSA-N, vendoridlabnotebookid: Z1653394708, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL, pubchem: 119031234, molport: MolPort-038-948-376 OSA_000722 target: MurE, smilesparent: ClC=1C=CC(NCC=2C=CC=NC2)=CC1N3CCNC3=O, inchikey: QIUQEFMLUGBHBE-UHFFFAOYSA-N, vendoridlabnotebookid: Z1984528451, fragalysisref: MUREECA-x0817, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000341526375, pubchem: 122143316, molport: MolPort-042-592-004 OSA_000723 target: MurE, smilesparent: O=C(N1CCCC(C1)N2C=NC=3C=CC=CC23)C4=NNC=5CCCC45, inchikey: FOUQVNUEDOEEBR-UHFFFAOYSA-N, vendoridlabnotebookid: Z1119625807, fragalysisref: MUREECA-x0818, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 75369511, mcule: MCULE-9749140760, molport: MolPort-027-893-817 OSA_000724 target: MurE, smilesparent: NC(=O)C(NC1CCCN(C1=O)C=2C=CC=NC2)C=3C=CC=CC3, inchikey: ZYJBTPGARCINCY-UHFFFAOYSA-N, vendoridlabnotebookid: Z1651729217, fragalysisref: MUREECA-x0819, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 121546746, mcule: MCULE-5805529890, molport: MolPort-039-233-028 OSA_000725 target: MurE, smilesparent: O=C(CC1=NNC=2C=CC=CC12)NC=3C=CC=NC3, inchikey: WKXLEKLKPAOIOI-UHFFFAOYSA-N, vendoridlabnotebookid: Z826871136, fragalysisref: MUREECA-x0820, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000072273175, pubchem: 47801338, mcule: MCULE-7909834569 OSA_000726 target: MurE, smilesparent: OC=1N=C2C=CC=CC2=CC1CNC3CCCN(C3)C=4C=CC=NN4, inchikey: PLYIDOCZRRTSES-UHFFFAOYSA-N, vendoridlabnotebookid: Z1234098811, fragalysisref: MUREECA-x0821, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 119136150, molport: MolPort-039-277-671 OSA_000727 target: MurE, smilesparent: CC=1NN=CC1CCCNC(=O)NC2CCS(=O)(=O)C2, inchikey: YHNAOMWZOIUVDQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z445986708, fragalysisref: MUREECA-x0822, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, emolecules: 35716632, pubchem: 53504514, mcule: MCULE-1996167430 OSA_000728 target: MurE, smilesparent: OC(=O)C1CN(CCO1)C(=O)C=2C=C(NN2)C=3C=CC(F)=CC3, inchikey: PSHUIZXDCGKSIN-UHFFFAOYSA-N, vendoridlabnotebookid: Z1445272300, fragalysisref: MUREECA-x0823, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 119240029, molport: MolPort-041-844-055 OSA_000729 target: MurE, smilesparent: COCC1=NN(CC=2N=C(N)C=3C=4CCCCC4SC3N2)C(=O)O1, inchikey: WGDUUVPLLUVPCW-UHFFFAOYSA-N, vendoridlabnotebookid: Z1607385949, fragalysisref: MUREECA-x0824, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, pubchem: 136520913, mcule: MCULE-9741111532, molport: MolPort-046-088-503 OSA_000730 target: MurE, smilesparent: CC(C)N1CCN(CC1)C(=O)NC=2C=CC=C(Br)C2, inchikey: IEXUDNILYATOOU-UHFFFAOYSA-N, vendoridlabnotebookid: Z409539354, fragalysisref: MUREECA-x0825, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000013322799, emolecules: 7685564, pubchem: 17126988, mcule: MCULE-6501530505, molport: MolPort-008-299-568 OSA_000731 target: MurE, smilesparent: CN1CCN(CC1)C(=O)NC=2C=CC(Br)=CC2, inchikey: VZZDLUFBDKRJTR-UHFFFAOYSA-N, vendoridlabnotebookid: Z177089770, fragalysisref: MUREECA-x0826, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK: Cracked, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000001669570, surechemblpatents: SCHEMBL15134852, pubchem: 235435, mcule: MCULE-9162541140, toxicologyresource: 6266-79-1, molport: MolPort-009-145-466, comptox: DTXSID90284332 OSA_000732 target: MurE, smilesparent: CN1CCC(CC1)C(=O)NC=2C=CC=CC2, inchikey: CZZZAQIBVXXNRC-UHFFFAOYSA-N, vendoridlabnotebookid: Z106886308, fragalysisref: MUREECA-x0827, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: None, ligandbound: No, zinc: ZINC000067766229, ibmip: 8FEC58045F91D40897CA315FAE16F2B3, surechemblpatents: SCHEMBL13592382, pubchem: 23377552, molport: MolPort-037-582-423 OSA_000733 target: MurE, smilesparent: CN1CCN(CC1)C(=O)NC=2C=CC=CC2Br, inchikey: BUSGARXELZBCSK-UHFFFAOYSA-N, vendoridlabnotebookid: Z409533532, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, pubchem: 45820202, molport: MolPort-009-049-609 OSA_000734 target: MurE, smilesparent: CC(C)N1CCN(CC1)C(=O)NC=2C=CC=C(Br)C2, inchikey: IEXUDNILYATOOU-UHFFFAOYSA-N, vendoridlabnotebookid: Z409539354, fragalysisref: MUREECA-x0828, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000013322799, emolecules: 7685564, pubchem: 17126988, mcule: MCULE-6501530505, molport: MolPort-008-299-568 OSA_000735 target: MurE, smilesparent: CN1CCN(CC1)C(=O)NC=2C=CC(Br)=CC2, inchikey: VZZDLUFBDKRJTR-UHFFFAOYSA-N, vendoridlabnotebookid: Z177089770, fragalysisref: MUREECA-x0829, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000001669570, surechemblpatents: SCHEMBL15134852, pubchem: 235435, mcule: MCULE-9162541140, toxicologyresource: 6266-79-1, molport: MolPort-009-145-466, comptox: DTXSID90284332 OSA_000736 target: MurE, smilesparent: CN1CCC(CC1)C(=O)NC=2C=CC=CC2, inchikey: CZZZAQIBVXXNRC-UHFFFAOYSA-N, vendoridlabnotebookid: Z106886308, fragalysisref: MUREECA-x0830, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: OK, datacollectionoutcome: success, ligandbound: No, zinc: ZINC000067766229, ibmip: 8FEC58045F91D40897CA315FAE16F2B3, surechemblpatents: SCHEMBL13592382, pubchem: 23377552, molport: MolPort-037-582-423 OSA_000737 target: MurE, smilesparent: CN1CCN(CC1)C(=O)NC=2C=CC=CC2Br, inchikey: BUSGARXELZBCSK-UHFFFAOYSA-N, vendoridlabnotebookid: Z409533532, wikilink: https://github.com/opensourceantibiotics/murligase/wiki/MurD-and-MurE-fragment-screen, mountingresult: FAIL: Melted, pubchem: 45820202, molport: MolPort-009-049-609 OSA_000738 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=C(F)C=C2, name: N-(4-fluorophenyl)-1-methylpiperidine-4-carboxamide, inchikey: FFVXKXJVYNMPKL-UHFFFAOYSA-N, vendoridlabnotebookid: DMK75-2-A, mwparent: 239.36, pubchem: 95968061 OSA_000739 target: MurD, smilesparent: O=C(C1CCN(C)C1)NC2=CC=C(F)C=C2, name: N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide, inchikey: RLOXACRLJWMWPU-UHFFFAOYSA-N, vendoridlabnotebookid: DMK79-1-A, mwparent: 222.26, pubchem: 110858666 OSA_000740 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=CC=C2, name: 1-methyl-N-phenylpiperidine-4-carboxamide, inchikey: CZZZAQIBVXXNRC-UHFFFAOYSA-N, vendoridlabnotebookid: DMK76-1-A, mwparent: 218.3, pubchem: 23377552 OSA_000741 target: MurD, smilesparent: CN1CCC(C(NC2=CC=C(Cl)C=C2)=O)CC1, name: N-(4-chlorophenyl)-1-methylpiperidine-4-carboxamide, inchikey: HDVFKDCTFBLIGZ-UHFFFAOYSA-N, vendoridlabnotebookid: DMK90-1-A, mwparent: 252.74, pubchem: 95968063 OSA_000742 target: MurD, smilesparent: CN1CCC(C(NC2=CC=C(C)C=C2)=O)CC1, name: 1-methyl-N-(p-tolyl)piperidine-4-carboxamide, inchikey: MRRCKOQSHOIXLG-UHFFFAOYSA-N, vendoridlabnotebookid: DMK91-1-A, mwparent: 232.33, pubchem: 344991 OSA_000743 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=C(Cl)C(Cl)=C2, name: N-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxamide, inchikey: KOCUBRJDCKLJCJ-UHFFFAOYSA-N, vendoridlabnotebookid: DMK101-1-A, mwparent: 287.18, pubchem: 68317877 OSA_000744 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=CC3=C2C=CC=C3, name: 1-methyl-N-(naphthalen-1-yl)piperidine-4-carboxamide, inchikey: XPWQQCGWCGOQQG-UHFFFAOYSA-N, vendoridlabnotebookid: DMK81-4-A, mwparent: 268.36, pubchem: 99817646 OSA_000745 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=CC(O)=C2, name: N-(3-hydroxyphenyl)-1-methylpiperidine-4-carboxamide, inchikey: XAQXZAPPHDDIRP-UHFFFAOYSA-N, vendoridlabnotebookid: DMK85-2-A, mwparent: 234.3 OSA_000746 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=C(O)C=C2, name: N-(4-hydroxyphenyl)-1-methylpiperidine-4-carboxamide, inchikey: YOBBRZGGOJZMSA-UHFFFAOYSA-N, vendoridlabnotebookid: DMK98-1-B, mwparent: 234.3 OSA_000747 target: MurD, smilesparent: CN1CCC(C(NC2=CC=C(OC)C=C2)=O)CC1, name: N-(4-methoxyphenyl)-1-methylpiperidine-4-carboxamide, inchikey: VIDFQXVHRPPTSE-UHFFFAOYSA-N, vendoridlabnotebookid: DMK92-1-A, mwparent: 248.33, pubchem: 95968070 OSA_000748 target: MurD, smilesparent: OC(C(Br)=C1)=CC=C1NC(C2CCN(C)CC2)=O, name: N-(3-bromo-4-hydroxyphenyl)-1-methylpiperidine-4-carboxamide, inchikey: OKUOAWCXQVKURI-UHFFFAOYSA-N, vendoridlabnotebookid: DMK104-1-B, mwparent: 313.2 OSA_000749 target: MurD, smilesparent: BrC1=CC(NC(C2CCN(C)CC2)=O)=CC=C1OC, name: N-(3-bromo-4-methoxyphenyl)-1-methylpiperidine-4-carboxamide, inchikey: IHVWXZFPGSJKDV-UHFFFAOYSA-N, vendoridlabnotebookid: DMK100-1-A, mwparent: 327.22 OSA_000750 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=CC=C2Br, name: N-(2-bromophenyl)-1-methylpiperidine-4-carboxamide, inchikey: LKXFVAFVNYONFT-UHFFFAOYSA-N, vendoridlabnotebookid: DMK84-2-A, mwparent: 297.2, pubchem: 60004863 OSA_000751 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=CC(Br)=C2, name: N-(3-bromophenyl)-1-methylpiperidine-4-carboxamide, inchikey: ZQBUUHOVMXBKOP-UHFFFAOYSA-N, vendoridlabnotebookid: DMK83-1-A, mwparent: 297.2, pubchem: 95968089 OSA_000752 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=C(Br)C=C2, name: N-(4-bromophenyl)-1-methylpiperidine-4-carboxamide, inchikey: MPGBNJKPYBAROJ-UHFFFAOYSA-N, vendoridlabnotebookid: DMK82-1-A, mwparent: 297.2, pubchem: 51103985 OSA_000753 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=C(C3=CC=CC=C3)C=CC=C2, name: N-([1,1'-biphenyl]-2-yl)-1-methylpiperidine-4-carboxamide, inchikey: WSIROINKJIPLSC-UHFFFAOYSA-N, vendoridlabnotebookid: DMK102-1-A, mwparent: 294.4, pubchem: 99817647 OSA_000754 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=C(C3=CC=C(C=CC=C4)C4=C3)C=CC=C2, name: 1-methyl-N-(2-(naphthalen-2-yl)phenyl)piperidine-4-carboxamide, inchikey: GKRNUKRVBARNID-UHFFFAOYSA-N, vendoridlabnotebookid: DMK103-1-B, mwparent: 344.46 OSA_000755 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=CC(C3=CC=CC=C3)=C2, name: N-([1,1'-biphenyl]-3-yl)-1-methylpiperidine-4-carboxamide, inchikey: DPBBCALZTLCOIT-UHFFFAOYSA-N, vendoridlabnotebookid: DMK87-1-B, mwparent: 294.4 OSA_000756 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC(C3=CC=C(C=CC=C4)C4=C3)=CC=C2, name: 1-methyl-N-(3-(naphthalen-2-yl)phenyl)piperidine-4-carboxamide, inchikey: RXYMXPPTPPPTLC-UHFFFAOYSA-N, vendoridlabnotebookid: DMK95-1-A, mwparent: 344.46 OSA_000757 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=C(C3=CC=CC=C3)C=C2, name: N-([1,1'-biphenyl]-4-yl)-1-methylpiperidine-4-carboxamide, inchikey: GMNHICLLRMPJFX-UHFFFAOYSA-N, vendoridlabnotebookid: DMK96-1-A, mwparent: 294.4 OSA_000758 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=C(C3=CC=C(C=CC=C4)C4=C3)C=C2, name: 1-methyl-N-(4-(naphthalen-2-yl)phenyl)piperidine-4-carboxamide, inchikey: HEUZCVPUMTWLAE-UHFFFAOYSA-N, vendoridlabnotebookid: DMK97-1-A, mwparent: 344.46 OSA_000759 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=C(C3=CC=NC=C3)C=C2, name: 1-methyl-N-(4-(pyridin-4-yl)phenyl)piperidine-4-carboxamide, inchikey: FOYCAWNDFDSDPG-UHFFFAOYSA-N, vendoridlabnotebookid: DMK109-1-B, mwparent: 295.39 OSA_000760 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=C(C3=CC=CN=C3)C=C2, name: 1-methyl-N-(4-(pyridin-3-yl)phenyl)piperidine-4-carboxamide, inchikey: VHOFAYQMUVOETF-UHFFFAOYSA-N, vendoridlabnotebookid: DMK110-1-B, mwparent: 295.39 OSA_000761 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC(N3CCCCC3)=CC=C2, name: 1-methyl-N-(3-(piperidin-1-yl)phenyl)piperidine-4-carboxamide, inchikey: OXEGRJXFVBEBTB-UHFFFAOYSA-N, vendoridlabnotebookid: DMK89-2-B, mwparent: 301.43 OSA_000762 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=C(N3CCOCC3)C=C2, name: 1-methyl-N-(4-morpholinophenyl)piperidine-4-carboxamide, inchikey: GLGKAWALSIJYHG-UHFFFAOYSA-N, vendoridlabnotebookid: DMK112-1-A, mwparent: 303.41 OSA_000763 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=C(N3CCCCC3)C=C2, name: 1-methyl-N-(4-(piperidin-1-yl)phenyl)piperidine-4-carboxamide, inchikey: YPWJBXOPAVZHPZ-UHFFFAOYSA-N, vendoridlabnotebookid: DMK106-1-A, mwparent: 301.43, pubchem: 110693529 OSA_000764 target: MurD, smilesparent: O=C(NC1=CC(NC2CCCCC2)=CC=C1)C3CCN(CC3)C, name: N-(3-(cyclohexylamino)phenyl)-1-methylpiperidine-4-carboxamide, inchikey: GWOGEIVUIJEMAY-UHFFFAOYSA-N, vendoridlabnotebookid: DMK93-2-A, mwparent: 315.46 OSA_000765 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=C(NC(C)C)C=C2, name: N-(4-(isopropylamino)phenyl)-1-methylpiperidine-4-carboxamide, inchikey: VZJYHKRIBTXZAO-UHFFFAOYSA-N, vendoridlabnotebookid: DMK111-1-A, mwparent: 275.4 OSA_000766 target: MurD, smilesparent: O=C(C1CCN(C)CC1)NC2=CC=C(NC3CCCCC3)C=C2, name: N-(4-(cyclohexylamino)phenyl)-1-methylpiperidine-4-carboxamide, inchikey: RSFQSAYEJQVTHE-UHFFFAOYSA-N, vendoridlabnotebookid: DMK105-1-A, mwparent: 315.46 OSA_000767 target: MurD, smilesparent: CC(C)C1N(C)CCC2=C1NC3=CC=CC=C32, name: 1-Isopropyl-2-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, inchikey: XIGXNSOZHWZZMB-UHFFFAOYSA-N, vendoridlabnotebookid: FI112-2, mwparent: 228.338 OSA_000768 target: MurD, smilesparent: BrC1=CC(NC(C)=O)=CC=C1, name: N-(3-bromophenyl)acetamide, inchikey: XXHOHJTVFUJJMT-UHFFFAOYSA-N, vendoridlabnotebookid: FI124-1, mwparent: 214.062 OSA_000769 target: MurD, smilesparent: O=S(C1=CC=C(NC(C)=O)C=C1)(N2CCN(C3=NC=CC=C3)CC2)=O, name: N-(4-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenyl)acetamide, inchikey: BYKOGXKIENOVFN-UHFFFAOYSA-N, vendoridlabnotebookid: FI130-1, mwparent: 360.437 OSA_000770 target: MurD, smilesparent: O=C(C(C)C)NC1=CC=CC(C2=CN=CC=C2)=C1, name: N-(3-(pyridin-3-yl)phenyl)isobutyramide, inchikey: KWNNCPXCTWFGPN-UHFFFAOYSA-N, vendoridlabnotebookid: FI131-1, mwparent: 240.305 OSA_000771 target: MurD, smilesparent: O=C(C(C)C)NC1=CC=CC(C2=CN=CC=C2)=C1, name: 1-Methyl-4-(4-(pyridin-3-yl)phenyl)piperazine​, inchikey: KWNNCPXCTWFGPN-UHFFFAOYSA-N, vendoridlabnotebookid: FI132-1, mwparent: 240.305 OSA_000772 target: MurD, smilesparent: O=S(C1=CC=C(NC(C)=O)C=C1)(N2CCOCC2)=O, name: N-(4-(Morpholinosulfonyl)phenyl)acetamide, inchikey: WSVGZFWJCRPWAG-UHFFFAOYSA-N, vendoridlabnotebookid: FI133-1, mwparent: 284.335 OSA_000773 target: MurD, smilesparent: O=S(C1=CC=C(NC(C)=O)C=C1)(NCC2=CC=C(OCO3)C3=C2)=O, name: N-(4-(N-(benzo[d][1,3]dioxol-5-ylmethyl)sulfamoyl)phenyl)acetamide, inchikey: QIEXJUZBFRBKML-UHFFFAOYSA-N, vendoridlabnotebookid: FI134-1, mwparent: 348.378 OSA_000774 target: MurD, smilesparent: O=S(C1=CC=C(NC(C)=O)C=C1)(N2CCN(C)CC2)=O, name: N-(4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)acetamide, inchikey: FIFVSQIZNIIPJZ-UHFFFAOYSA-N, vendoridlabnotebookid: FI135-1, mwparent: 297.378 OSA_000775 target: MurD, smilesparent: O=S(C1=CC=C(NC(C)=O)C=C1)(NCCN2CCOCC2)=O, name: N-(4-(N-(2-morpholinoethyl)sulfamoyl)phenyl)acetamide, inchikey: ACDMONYKERYXRY-UHFFFAOYSA-N, vendoridlabnotebookid: FI136-1, mwparent: 327.404 OSA_000776 target: MurD, smilesparent: O=C(C(C)C)NC1=CC=CC(C2=CC=C(OC3=CC=CC=C3)C=C2)=C1, name: N-(4'-phenoxy-[1,1'-biphenyl]-3-yl)isobutyramide, inchikey: DNPIDTVUKHZLJL-UHFFFAOYSA-N, vendoridlabnotebookid: FI137-1B, mwparent: 331.414 OSA_000777 target: MurD, smilesparent: O=C(C(C)C)NC1=CC=CC(C2=CC=C(OC)C=C2)=C1, name: N-(4'-methoxy-[1,1'-biphenyl]-3-yl)isobutyramide, inchikey: BZSTUXKJLYWJSW-UHFFFAOYSA-N, vendoridlabnotebookid: FI138-1, mwparent: 269.343 OSA_000778 target: MurD, smilesparent: O=S(C1=CC=C(NC(C)=O)C=C1)(N2CCC(O)CC2)=O, name: N-(4-((4-hydroxypiperidin-1-yl)sulfonyl)phenyl)acetamide, inchikey: PRLOWNAGHFFGCK-UHFFFAOYSA-N, vendoridlabnotebookid: FI139-1, mwparent: 298.362 OSA_000779 target: MurD, smilesparent: COC(C=C1)=CC=C1C2=CC=C(N3CCN(C)CC3)C=C2, name: 1-(4'-Methoxy-[1,1'-biphenyl]-4-yl)-4-methylpiperazine, inchikey: SHOSXLCUJJBWML-UHFFFAOYSA-N, vendoridlabnotebookid: FI143-1B, mwparent: 282.386 OSA_000780 target: MurD, smilesparent: CN(CC1)CCN1C2=CC=C(C3=CC=C(C=CC=C4)C4=C3)C=C2, name: 1-Methyl-4-(4-(naphthalen-2-yl)phenyl)piperazine, inchikey: CVHJZYYHFDIULT-UHFFFAOYSA-N, vendoridlabnotebookid: FI144-1D, mwparent: 302.42 OSA_000781 target: MurD, smilesparent: O=S(C1=CC=C(NC(C)=O)C=C1)(N2CCN(C3=CC=C(OC)C=C3)CC2)=O, name: N-(4-((4-(4-Methoxyphenyl)piperazin-1-yl)sulfonyl)phenyl)acetamide, inchikey: RANNSMVPRJINCO-UHFFFAOYSA-N, vendoridlabnotebookid: FI145-1, mwparent: 389.475 OSA_000782 target: MurD, smilesparent: O=S(C1=CC=C(NC(C)=O)C=C1)(N2CCN(CCN(C)C)CC2)=O, name: N-(4-((4-(2-(Dimethylamino)ethyl)piperazin-1-yl)sulfonyl)phenyl)acetamide, inchikey: PNNHPJSMKNRYIO-UHFFFAOYSA-N, vendoridlabnotebookid: FI146-1, mwparent: 354.473 OSA_000783 target: MurD, smilesparent: O=C(C(C)C)NC1=CC=C(Br)C=C1, name: N-(4-bromophenyl)isobutyramide, inchikey: AVQYIQZFJLEKGK-UHFFFAOYSA-N, vendoridlabnotebookid: FI148-1, mwparent: 242.115 OSA_000784 target: MurD, smilesparent: CN(CC1)CCN1C2=CC=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C=C2, name: 1-Methyl-4-(4'-phenoxy-[1,1'-biphenyl]-4-yl)piperazine, inchikey: CAAVQSSQPMCJAJ-UHFFFAOYSA-N, vendoridlabnotebookid: FI150-1B, mwparent: 344.457 OSA_000785 target: MurD, smilesparent: O=C(C(C)C)NC1=CC=CC(C2=CC=C(C=CC=C3)C3=C2)=C1, name: N-(3-(naphthalen-2-yl)phenyl)isobutyramide​, inchikey: NOXBYDYDGIBFQX-UHFFFAOYSA-N, vendoridlabnotebookid: FI151-1, mwparent: 289.377 OSA_000786 target: MurD, smilesparent: O=C(C(C)C)NC1=CC=CC(C2=CSC3=C2C=CC=C3)=C1, name: N-(3-(benzo[b]thiophen-3-yl)phenyl)isobutyramide, inchikey: RQWZQOIAPNFGGO-UHFFFAOYSA-N, vendoridlabnotebookid: FI152-1, mwparent: 295.405 OSA_000787 target: MurD, smilesparent: O=C(C(C)C)NC1=CC=C(C2=CC=C(C=CC=C3)C3=C2)C=C1, name: N-(4-(naphthalen-2-yl)phenyl)isobutyramide, inchikey: UTCQQWMTVBBWSV-UHFFFAOYSA-N, vendoridlabnotebookid: FI153-1, mwparent: 289.377 OSA_000788 target: MurD, smilesparent: O=C(C(C)C)NC1=CC=C(C2=CSC3=C2C=CC=C3)C=C1, name: N-(4-(benzo[b]thiophen-3-yl)phenyl)isobutyramide, inchikey: LDZSMKNULIIOMG-UHFFFAOYSA-N, vendoridlabnotebookid: FI154-1, mwparent: 295.405 OSA_000789 target: MurD, smilesparent: O=C(C(C)C)NC1=CC=C(C2=CN=CC=C2)C=C1, name: N-(4-(pyridin-3-yl)phenyl)isobutyramide, inchikey: LKTDNYDXCXAMKT-UHFFFAOYSA-N, vendoridlabnotebookid: FI155-1, mwparent: 240.305 OSA_000790 target: MurD, smilesparent: CN(CC1)CCN1C2=CC=C(C3=CSC4=C3C=CC=C4)C=C2, name: 1-(4-(Benzo[b]thiophen-3-yl)phenyl)-4-methylpiperazine, inchikey: BMJKSOJJPUHDMI-UHFFFAOYSA-N, vendoridlabnotebookid: FI156-1B, mwparent: 308.448 OSA_000791 target: MurD, smilesparent: O=C(C(C)C)NC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1, name: N-(4-(4-chlorophenoxy)phenyl)isobutyramide, inchikey: MJRRKYUCTQTSAN-UHFFFAOYSA-N, vendoridlabnotebookid: FI157-1, mwparent: 289.761 OSA_000792 target: MurD, smilesparent: O=C(C(C)C)NC1=CC=C(C2=CC=C(OC)C=C2)C=C1, name: N-(4'-methoxy-[1,1'-biphenyl]-4-yl)isobutyramide, inchikey: GCEQZQIQTAMELE-UHFFFAOYSA-N, vendoridlabnotebookid: FI158-1, mwparent: 269.343 OSA_000793 target: MurD, smilesparent: O=C(C(C)C)NC1=CC=C(C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1, name: N-(4'-phenoxy-[1,1'-biphenyl]-4-yl)isobutyramide, inchikey: AXKLEVSJVNZWNQ-UHFFFAOYSA-N, vendoridlabnotebookid: FI159-1, mwparent: 331.414 OSA_000794 target: MurD, smilesparent: O=C(C(C)C)NC1=CC=C(OC2=CC=C(Cl)C=C2)C(Cl)=C1, name: N-(3-chloro-4-(4-chlorophenoxy)phenyl)isobutyramide, inchikey: BYQIARDUTWTXAZ-UHFFFAOYSA-N, vendoridlabnotebookid: FI160-1, mwparent: 324.206 OSA_000795 target: MurD, smilesparent: O=C(C(C)C)NC1=CC=C(CN2N=CN=C2)C=C1, name: N-(4-((1H-1,2,4-triazol-1-yl)methyl)phenyl)isobutyramide, inchikey: SVTQNBMLUNRJJH-UHFFFAOYSA-N, vendoridlabnotebookid: FI161-1, mwparent: 244.297 OSA_000796 target: MurD, smilesparent: O=C(C(C)C)NC1=CC=C(C2=CC=C(OC)C(O)=C2)C=C1, name: N-(3'-Hydroxy-4'-methoxy-[1,1'-biphenyl]-4-yl)isobutyramide, inchikey: DKWPQKAHBKWPKB-UHFFFAOYSA-N, vendoridlabnotebookid: FI162-1A, mwparent: 285.342 OSA_000797 target: MurD, smilesparent: CN(CC1)CCN1C2=CC=C(NC(C3=CC=CO3)=O)C=C2, name: N-(4-(4-methylpiperazin-1-yl)phenyl)furan-2-carboxamide, inchikey: ZFNBQDCDCYWTTO-UHFFFAOYSA-N, vendoridlabnotebookid: FI163-1, mwparent: 285.346 OSA_000798 target: MurD, smilesparent: CN(CC1)CCN1C2=CC=C(NC(C3=NC(C=CC=C4)=C4C=C3)=O)C=C2, name: N-(4-(4-methylpiperazin-1-yl)phenyl)quinoline-2-carboxamide, inchikey: OMAWGXSBIQDPSV-UHFFFAOYSA-N, vendoridlabnotebookid: FI164-1, mwparent: 346.433 OSA_000799 target: MurD, smilesparent: CN(CC1)CCN1C2=CC=C(NC(CN3CCC(C=CC=C4)=C4C3)=O)C=C2, name: 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-N-(4-(4-methylpiperazin-1-yl)phenyl)acetamide, inchikey: IXKDEHYGCNENMX-UHFFFAOYSA-N, vendoridlabnotebookid: FI166-1, mwparent: 364.491 OSA_000800 target: MurD, smilesparent: CN(CC1)CCN1C2=CC=C(NC(N3CCOCC3)=O)C=C2, name: N-(4-(4-methylpiperazin-1-yl)phenyl)morpholine-4-carboxamide, inchikey: HUCHRGSTDXEXEA-UHFFFAOYSA-N, vendoridlabnotebookid: FI167-1, mwparent: 304.393 OSA_000801 target: MurD, smilesparent: CN(CC1)CCN1C2=CC=C(NC(C3=CC=CC=C3)=O)C=C2, name: N-(4-(4-methylpiperazin-1-yl)phenyl)benzamide, inchikey: CDESFTSRAZNPBO-UHFFFAOYSA-N, vendoridlabnotebookid: FI168-1B, mwparent: 295.385 OSA_000802 target: MurD, smilesparent: CN(CC1)CCN1C2=CC=C(NC(/C=C/C3=CC=CC=C3)=O)C=C2, name: N-(4-(4-Methylpiperazin-1-yl)phenyl)cinnamamide, inchikey: OBEOXMXUKJVLLO-KPKJPENVSA-N, vendoridlabnotebookid: FI171-1, mwparent: 321.423 OSA_000803 target: MurD, smilesparent: COC(C=C1)=CC=C1C2=CC=C(N3CCOCC3)C=C2, name: 4-(4'-Methoxy-[1,1'-biphenyl]-4-yl)morpholine, inchikey: AAAQPYNETPIJBZ-UHFFFAOYSA-N, vendoridlabnotebookid: FI173-1, mwparent: 269.343 OSA_000804 target: MurD, smilesparent: C1(N2CCOCC2)=CC=C(C3=CC=CN=C3)C=C1, name: 4-(4-(Pyridin-3-yl)phenyl)morpholine, inchikey: WXRVAEBRNMDMNW-UHFFFAOYSA-N, vendoridlabnotebookid: FI174-1, mwparent: 240.305 OSA_000805 target: MurD, smilesparent: C1(N2CCOCC2)=CC=C(C3=CC=C(C=CC=C4)C4=C3)C=C1, name: 1-Methyl-4-(4-(naphthalen-2-yl)phenyl)piperazine, inchikey: XCUGOHSHOYKNIU-UHFFFAOYSA-N, vendoridlabnotebookid: FI175-1, mwparent: 289.377 OSA_000806 target: MurD, smilesparent: C1(N2CCOCC2)=CC=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C=C1, name: 4-(4'-Phenoxy-[1,1'-biphenyl]-4-yl)morpholine, inchikey: NOWIYFKIRPSWOT-UHFFFAOYSA-N, vendoridlabnotebookid: FI176-1, mwparent: 331.414 OSA_000807 target: MurD, smilesparent: C1(N2CCOCC2)=CC=C(C3=CSC4=C3C=CC=C4)C=C1, name: 4-(4-(Benzo[b]thiophen-3-yl)phenyl)morpholine, inchikey: CGJPJRGJNNNXSE-UHFFFAOYSA-N, vendoridlabnotebookid: FI177-1, mwparent: 295.405 OSA_000808 target: MurD, smilesparent: BrC1=CC=C(N2CCN(C)CC2)C=C1, name: 1-(4-bromophenyl)-4-methylpiperazine, inchikey: WCOODAWUEIXTFL-UHFFFAOYSA-N, vendoridlabnotebookid: FI71-1, mwparent: 255.16 OSA_000809 target: MurD, smilesparent: COC(C=C1)=CC=C1C2=CC=C(N3CCCCC3)C=C2, name: 1-(4'-Methoxy-[1,1'-biphenyl]-4-yl)piperidin, inchikey: YVVLZBJIBCQJRO-UHFFFAOYSA-N, vendoridlabnotebookid: FI179-1B, mwparent: 267.37 OSA_000810 target: MurD, smilesparent: C1(N2CCCCC2)=CC=C(C3=CC=CN=C3)C=C1, name: 3-(4-(Piperidin-1-yl)phenyl)pyridine, inchikey: CBOLTCLGNLMYKK-UHFFFAOYSA-N, vendoridlabnotebookid: FI180-1, mwparent: 238.33 OSA_000811 target: MurD, smilesparent: C1(N2CCCCC2)=CC=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C=C1, name: 1-(4'-Phenoxy-[1,1'-biphenyl]-4-yl)piperidine, inchikey: HLTQSMONFVVITP-UHFFFAOYSA-N, vendoridlabnotebookid: FI183-1, mwparent: 329.44 OSA_000812 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OCO4)C4=C3)N5C(CCC5)=N2)=NC=CC=C1, name: 3-(benzo[d][1,3]dioxol-5-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: MUYFXUIFVHSJSW-UHFFFAOYSA-N, vendoridlabnotebookid: SB-400868, mwparent: 305.34 OSA_000812 salt: XX, batch: 02, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OCO4)C4=C3)N5C(CCC5)=N2)=NC=CC=C1, name: 3-(benzo[d][1,3]dioxol-5-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: MUYFXUIFVHSJSW-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 468-1, mwparent: 305.34 OSA_000813 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OCO4)C4=C3)N5C(SCC5)=N2)=NC=CC=C1, name: 5-(benzo[d][1,3]dioxol-5-yl)-6-(pyridin-2-yl)-2,3-dihydroimidazo[2,1-b]thiazole, inchikey: VRBHQLIOWDWEFL-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-16, mwparent: 323.37 OSA_000814 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OCO4)C4=C3)N5C(C=CC=C5)=N2)=NC=CC=C1, name: 3-(benzo[d][1,3]dioxol-5-yl)-2-(pyridin-2-yl)imidazo[1,2-a]pyridine, inchikey: XRQVOPIPTILMHL-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-18, mwparent: 315.33 OSA_000815 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OCO4)C4=C3)N5C(N=CC=C5)=N2)=NC=CC=C1, name: 3-(benzo[d][1,3]dioxol-5-yl)-2-(pyridin-2-yl)imidazo[1,2-a]pyrimidine, inchikey: VOBFMHSVJZXNKH-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-19, mwparent: 316.32 OSA_000816 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OCO4)C4=C3)N5C(CCC5)=N2)=CN=CC=C1, name: 3-(benzo[d][1,3]dioxol-5-yl)-2-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: WVYSIUIVKHJRCF-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-20, mwparent: 305.34 OSA_000817 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OCO4)C4=C3)N5C(CCC5)=N2)=CC=NC=C1, name: 3-(benzo[d][1,3]dioxol-5-yl)-2-(pyridin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: ZXEZFRRNSGKXKD-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-21, mwparent: 305.34 OSA_000818 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OCO4)C4=C3)N5C(CCCC5)=N2)=NC=CC=C1, name: 3-(benzo[d][1,3]dioxol-5-yl)-2-(pyridin-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine, inchikey: GNLWJVYDRITNMY-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-23, mwparent: 319.36 OSA_000819 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OCCO4)C4=C3)N5C(CCC5)=N2)=NC=CC=C1, name: 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: QSWVRXYKUHFXJR-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-25, mwparent: 319.36 OSA_000820 salt: XX, batch: 01, target: Series 2, smilesparent: COC(C(OC)=C1)=CC=C1C2=C(N=C3N2CCC3)C4=NC=CC=C4, name: 3-(3,4-dimethoxyphenyl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: UHXUJOXRCMQBQK-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-26, mwparent: 321.38 OSA_000820 salt: XX, batch: 02, target: Series 2, smilesparent: COC(C(OC)=C1)=CC=C1C2=C(N=C3N2CCC3)C4=NC=CC=C4, name: 3-(3,4-dimethoxyphenyl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: UHXUJOXRCMQBQK-UHFFFAOYSA-N, vendoridlabnotebookid: DMK132-1-A, mwparent: 321.38 OSA_000821 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OC=C4)C4=C3)N5C(CCC5)=N2)=NC=CC=C1, name: 3-(benzofuran-5-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: OGRHFYBNEQCSEU-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-27, mwparent: 301.35 OSA_000821 salt: XX, batch: 02, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OC=C4)C4=C3)N5C(CCC5)=N2)=NC=CC=C1, name: 3-(benzofuran-5-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: OGRHFYBNEQCSEU-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 495-1, mwparent: 301.35 OSA_000822 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(SC=C4)C4=C3)N5C(CCC5)=N2)=NC=CC=C1, name: 3-(benzo[b]thiophen-5-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: UDYKJNMYXUDMFD-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-28, mwparent: 317.41 OSA_000822 salt: XX, batch: 02, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(SC=C4)C4=C3)N5C(CCC5)=N2)=NC=CC=C1, name: 3-(benzo[b]thiophen-5-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: UDYKJNMYXUDMFD-UHFFFAOYSA-N, vendoridlabnotebookid: DMK124-2-A, mwparent: 317.41 OSA_000823 salt: XX, batch: 01, target: Series 2, smilesparent: COC(C=C1)=CC=C1C2=C(N=C3N2CCC3)C4=NC=CC=C4, name: 3-(4-methoxyphenyl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: WOBKXRJWEJOYSB-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-29, mwparent: 291.35 OSA_000824 salt: XX, batch: 01, target: Series 2, smilesparent: CSC(C=C1)=CC=C1C2=C(N=C3N2CCC3)C4=NC=CC=C4, name: 3-(4-(methylthio)phenyl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: YKOQPDKDORDLLV-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-30, mwparent: 307.42 OSA_000825 salt: XX, batch: 01, target: Series 2, smilesparent: COC1=CC(C2=C(N=C3N2CCC3)C4=NC=CC=C4)=CC=C1, name: 3-(3-methoxyphenyl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: OAJJMIXRRHZSHS-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-31, mwparent: 291.35 OSA_000826 salt: XX, batch: 01, target: Series 2, smilesparent: CSC1=CC(C2=C(N=C3N2CCC3)C4=NC=CC=C4)=CC=C1, name: 3-(3-(methylthio)phenyl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: JPRXZQPLMPWJNF-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-32, mwparent: 307.42 OSA_000827 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OCC4)C4=C3)N5C(CCC5)=N2)=NC=CC=C1, name: 3-(2,3-dihydrobenzofuran-5-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: WTQMRZJLLSMNHU-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-33, mwparent: 303.37 OSA_000828 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(CCO4)C4=C3)N5C(CCC5)=N2)=NC=CC=C1, name: 3-(2,3-dihydrobenzofuran-6-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: MGLMCQNTHRGOIN-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-34, mwparent: 303.37 OSA_000829 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(C=CO4)C4=C3)N5C(CCC5)=N2)=NC=CC=C1, name: 3-(benzofuran-6-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: VHRWTSKKXHGTSG-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-35, mwparent: 301.35 OSA_000830 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(C=CS4)C4=C3)N5C(CCC5)=N2)=NC=CC=C1, name: 3-(benzo[b]thiophen-6-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: OINKIASJPOFBHL-UHFFFAOYSA-N, vendoridlabnotebookid: ALM-DAI-36, mwparent: 317.41 OSA_000831 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(SC4=C5C=CC=C4)C5=C3)N6C(CCC6)=N2)=NC=CC=C1, name: 3-(dibenzo[b,d]thiophen-2-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: KVKNFUMCISWTQJ-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 469-1, mwparent: 367.47 OSA_000832 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CSC4=C3C=CC=C4)N5C(CCC5)=N2)=NC=CC=C1, name: 3-(benzo[b]thiophen-3-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: LPNBTKHPMNKJRS-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 472-1, mwparent: 317.41 OSA_000833 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(C=CC=N4)C4=C3)N5C(CCC5)=N2)=NC=CC=C1, name: 7-(2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)quinoline, inchikey: BGALPIIJZDCBIE-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 473-1, mwparent: 312.38 OSA_000834 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(SC=C4)C4=C3)N5C(CCC5)=N2)=CC=CC=C1, name: 3-(benzo[b]thiophen-5-yl)-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: PHYPPDQUTXQIKR-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 482-1, mwparent: 316.42 OSA_000835 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(SC=N4)C4=C3)N5C(CCC5)=N2)=NC=CC=C1, name: 5-(2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)benzo[d]thiazole, inchikey: SJBBQEYKGOZFEK-UHFFFAOYSA-N, vendoridlabnotebookid: DMK125-1-B, mwparent: 318.4 OSA_000836 salt: XX, batch: 01, target: Series 2, smilesparent: CC1=NC2=CC(C3=C(N=C4N3CCC4)C5=NC=CC=C5)=CC=C2S1, name: 2-methyl-5-(2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)benzo[d]thiazole, inchikey: XCHHNFZMFXVGFI-UHFFFAOYSA-N, vendoridlabnotebookid: DMK126-1-B, mwparent: 332.43 OSA_000837 salt: XX, batch: 01, target: Series 2, smilesparent: CS(C(C=C1)=CC=C1C2=C(N=C3N2CCC3)C4=NC=CC=C4)(=O)=O, name: 3-(4-(methylsulfonyl)phenyl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: HSIAMGRBYSVGGE-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 487-1, mwparent: 339.41 OSA_000838 salt: XX, batch: 01, target: Series 2, smilesparent: CS(C(C=C1)=CC=C1C2=C(N=C3N2CCC3)C4=NC=CC=C4)=O, name: 3-(4-(methylsulfinyl)phenyl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: MUNJQFJSKXEQGH-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 491-1, mwparent: 323.41 OSA_000839 salt: FA, batch: 01, target: Series 2, smilesparent: COC1=CC2=NC(C3=NC=CC=C3)=C(NC4=CC=C(F)C=N4)N2C=C1, name: N-(5-fluoropyridin-2-yl)-7-methoxy-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: AQCAUSZEANHHJF-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003363575, mwparent: 335.34 OSA_000840 salt: XX, batch: 01, target: Series 2, smilesparent: CN(C)C(C=C1)=CC=C1C2=C(NC3CCCC3)N4C(C=C(C)C=C4)=N2, name: N-cyclopentyl-2-(4-(dimethylamino)phenyl)-7-methylimidazo[1,2-a]pyridin-3-amine, inchikey: XLCHGXFBLAWJNS-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003148395, mwparent: 334.47 OSA_000841 salt: XX, batch: 01, target: Series 2, smilesparent: CC1=CN2C(C=C1)=NC(C3=NC=CC=C3)=C2NC4=CC=C(OCCO5)C5=C4, name: N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-methyl-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: CYZOJZKKNOLVFE-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003083531, mwparent: 358.4 OSA_000842 salt: XX, batch: 01, target: Series 2, smilesparent: CC1=CN2C(C=C1)=NC(C3=NC=CC=C3)=C2NCC4=CC=CC=C4, name: N-benzyl-6-methyl-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: NRIWEOTWPRBBHN-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003297854, mwparent: 314.39 OSA_000843 salt: FA, batch: 01, target: Series 2, smilesparent: COC1=CC2=NC(C3=CSC=N3)=C(NC4=CC=CC(F)=C4)N2C=C1, name: N-(3-fluorophenyl)-7-methoxy-2-(thiazol-4-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: KGXTUGOTNMQOLH-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003365536, mwparent: 340.38 OSA_000844 salt: XX, batch: 01, target: Series 2, smilesparent: FC1=CC(NC2=C(N=C3N2C=C(CN(C)C)C=C3)C4=NC=CC=C4)=CC=C1, name: 6-((dimethylamino)methyl)-N-(3-fluorophenyl)-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: ZOEHPBARQCDXAH-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003364483, mwparent: 361.43 OSA_000845 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(NC3CCCC3)N4C(C=CC=C4)=N2)=NC=CS1, name: N-cyclopentyl-2-(thiazol-2-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: TYZNSGCPDPHISH-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003297119, mwparent: 284.39 OSA_000846 salt: XX, batch: 01, target: Series 2, smilesparent: CN(C)C(C=C1)=CC=C1C2=C(NC3=CC=C(F)C=C3)N4C(C=C(C)C=C4)=N2, name: 2-(4-(dimethylamino)phenyl)-N-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine, inchikey: VUNYJOCDRZOYMH-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003297857, mwparent: 360.44 OSA_000847 salt: FA, batch: 01, target: Series 2, smilesparent: FC(C=C1)=CC=C1NC2=C(N=C3N2C=CC=C3)C4=NC=CN4C, name: N-(4-fluorophenyl)-2-(1-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: LEFQLCPWBBRJNH-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003297115, mwparent: 307.33 OSA_000848 salt: XX, batch: 01, target: Series 2, smilesparent: COC1=CC2=NC(C3=CN(C)C=N3)=C(NC4=CC=CC(F)=C4)N2C=C1, name: N-(3-fluorophenyl)-7-methoxy-2-(1-methyl-1H-imidazol-4-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: CTAVCGQOAYSTOU-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003364493, mwparent: 337.36 OSA_000849 salt: CL, batch: 01, target: Series 2, smilesparent: CC1=CN2C(C=C1)=NC(C3=CC(OC)=C(OC)C=C3)=C2NCC4=CC=CO4, name: 2-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylimidazo[1,2-a]pyridin-3-amine, inchikey: DNQMLSBSKNMGTE-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003083431, mwparent: 363.42 OSA_000850 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(N3CCOCC3)N4C(C=CC=C4)=N2)=NC=CC=C1, name: 4-(2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-yl)morpholine, inchikey: VFQWXFYRQUYLRW-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003363569, mwparent: 280.33 OSA_000851 salt: XX, batch: 01, target: Series 2, smilesparent: COC1=CC2=NC(C3=NC=CC=C3)=C(NC4=CC=CC=C4F)N2C=C1, name: N-(2-fluorophenyl)-7-methoxy-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: QMSGGOZJDMKIAR-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003363573, mwparent: 334.36 OSA_000852 salt: XX, batch: 01, target: Series 2, smilesparent: FC1=CC(NC2=C(N=C3N2C=C(COC)C=C3)C4=NC=CC=C4)=CC=C1, name: N-(3-fluorophenyl)-6-(methoxymethyl)-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: NKFQQOGHGLIIIC-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003365537, mwparent: 348.38 OSA_000853 salt: FA, batch: 01, target: Series 2, smilesparent: COC1=CC2=NC(C3=NC=CC=C3)=C(NCC4=CN(C)C=N4)N2C=C1, name: 7-methoxy-N-((1-methyl-1H-imidazol-4-yl)methyl)-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: WJWSBAAWKJGQQW-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003365539, mwparent: 334.38 OSA_000854 salt: XX, batch: 01, target: Series 2, smilesparent: COC1=CC2=NC(C3=NC=CC=C3)=C(NC4=CC=NC(C)=C4)N2C=C1, name: 7-methoxy-N-(2-methylpyridin-4-yl)-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: AXSOILDOYRXQOE-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003364477, mwparent: 331.38 OSA_000855 salt: XX, batch: 01, target: Series 2, smilesparent: COC1=CC2=NC(C3=CN(C)N=C3)=C(NC4=CC=CC=C4F)N2C=C1, name: N-(2-fluorophenyl)-7-methoxy-2-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: IWVQDECJQGRWHJ-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003515912, mwparent: 337.39 OSA_000856 salt: XX, batch: 01, target: Series 2, smilesparent: COC1=CC2=NC(C3=NC=CC=C3)=C([H])N2C=C1, name: 7-methoxy-2-(pyridin-2-yl)imidazo[1,2-a]pyridine, inchikey: SBRCECFYQWIWFP-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003517000, mwparent: 225.25 OSA_000857 salt: XX, batch: 01, target: Series 2, smilesparent: COC1=CC2=NC(C3=NC=CC=C3)=C(C4=CC=CC(Cl)=N4)N2C=C1, name: 3-(6-chloropyridin-2-yl)-7-methoxy-2-(pyridin-2-yl)imidazo[1,2-a]pyridine, inchikey: CWEZOJKPGHLVRJ-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003517002, mwparent: 336.78 OSA_000858 salt: XX, batch: 01, target: Series 2, smilesparent: COC1=CC2=NC(C3=NC=CC=C3)=C(C4=CC=C(F)C=C4)N2C=C1, name: 3-(4-fluorophenyl)-7-methoxy-2-(pyridin-2-yl)imidazo[1,2-a]pyridine, inchikey: XXVCRMOLHYPNJQ-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003578427, mwparent: 319.34 OSA_000859 salt: XX, batch: 01, target: Series 2, smilesparent: FC(C=C1)=CC=C1C2=C(N=C3N2C=CC=C3)C4=NC=CC=C4, name: 3-(4-fluorophenyl)-2-(pyridin-2-yl)imidazo[1,2-a]pyridine, inchikey: HNJSYTLQAGPIGS-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003578436, mwparent: 289.31 OSA_000860 salt: XX, batch: 01, target: Series 2, smilesparent: COC1=CC2=NC(C3=NC=CC=C3)=C(C4=CC=CC=C4)N2C=C1, name: 7-methoxy-3-phenyl-2-(pyridin-2-yl)imidazo[1,2-a]pyridine, inchikey: STACCIDHHLHLGC-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003578712, mwparent: 301.35 OSA_000861 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OC=C4)C4=C3)N5C(CCC5)=N2)=CN=CC=C1, name: 3-(benzofuran-5-yl)-2-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: WPJLBRUKPLMYBT-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 496-1, mwparent: 301.35 OSA_000862 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OC=C4)C4=C3)N5C(CCC5)=N2)=CC=NC=C1, name: 3-(benzofuran-5-yl)-2-(pyridin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: IVQHUWUKJDMNLG-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 497-1, mwparent: 301.35 OSA_000863 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OC=C4)C4=C3)N5C(N=CC=C5)=N2)=NC=CC=C1, name: 3-(benzofuran-5-yl)-2-(pyridin-2-yl)imidazo[1,2-a]pyrimidine, inchikey: IBOSYACAFIWKGS-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 498-1, mwparent: 312.33 OSA_000864 salt: XX, batch: 01, target: Series 2, smilesparent: N#CC1=CC=CC(C2=C(N=C3N2CCC3)C4=NC=CC=C4)=C1, name: 3-(2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)benzonitrile, inchikey: HYAAETIJSCWKLT-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 499-1, mwparent: 286.34 OSA_000865 salt: XX, batch: 01, target: Series 2, smilesparent: CC(C=C1)=CC=C1C2=C(N=C3N2CCC3)C4=NC=CC=C4, name: 2-(pyridin-2-yl)-3-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: WQUAZBGHHWDEEE-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 500-1, mwparent: 275.36 OSA_000866 salt: XX, batch: 01, target: Series 2, smilesparent: COC1=CC2=NC(C3=CNC=N3)=C(NC4=CC=C(OCCO5)C5=C4)N2C=C1, name: N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(1H-imidazol-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-amine, inchikey: DUTNEZPSBYKJQT-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003389102, mwparent: 363.38 OSA_000867 salt: XX, batch: 01, target: Series 2, smilesparent: COC1=CN2C(C=C1)=NC(C3=CNC=N3)=C2NC4=CC=C(OCCO5)C5=C4, name: N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(1H-imidazol-4-yl)-6-methoxyimidazo[1,2-a]pyridin-3-amine, inchikey: PPKGYCHJDSESDF-UHFFFAOYSA-N, vendoridlabnotebookid: DNDI0003389103, mwparent: 363.38 OSA_000868 salt: XX, batch: 01, target: Series 2, smilesparent: FC(OC(C=C1)=CC=C1C2=C(N=C3N2CCC3)C4=NC=CC=C4)(F)F, name: 2-(pyridin-2-yl)-3-(4-(trifluoromethoxy)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: WKGFCFILFIBUAG-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 503-2, mwparent: 345.33 OSA_000869 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OC=C4)C4=C3)N5C(CCC5)=N2)=CC=CC=C1, name: 3-(benzofuran-5-yl)-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: KTZYTQAIBFAXAF-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 507-1, mwparent: 300.36 OSA_000870 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=CC=C3)N4C(CCC4)=N2)=NC=CC=C1, name: 3-phenyl-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: PCDQLCFKTPBDHV-UHFFFAOYSA-N, vendoridlabnotebookid: DMK136-1-A, mwparent: 261.33 OSA_000871 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(SC=C4)C4=C3)N5C(C=CC=C5)=N2)=NC=CC=C1, name: 3-(benzo[b]thiophen-5-yl)-2-(pyridin-2-yl)imidazo[1,2-a]pyridine, inchikey: VDKZSVZSEUUUGT-UHFFFAOYSA-N, vendoridlabnotebookid: DMK144-1-B, mwparent: 327.41 OSA_000872 salt: XX, batch: 01, target: Series 2, smilesparent: FC1=CC(C2=C(N=C3N2CCC3)C4=NC=CC=C4)=CC=C1, name: 3-(3-fluorophenyl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: DIBVNJCLLTXBGC-UHFFFAOYSA-N, vendoridlabnotebookid: DMK148-2-B, mwparent: 279.32 OSA_000873 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OC=C4)C4=C3)N5C(CCC5)=N2)=NC=CN=C1, name: 3-(benzofuran-5-yl)-2-(pyrazin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: PFLDQYCLLRLFHR-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 510-1, mwparent: 302.34 OSA_000874 salt: XX, batch: 01, target: Series 2, smilesparent: C1(C2=C(C3=CC=C(OC=C4)C4=C3)N5C(CCC5)=N2)=CN=CN=C1, name: 3-(benzofuran-5-yl)-2-(pyrimidin-5-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: HZRORZISAKIPNL-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 512-1, mwparent: 302.34 OSA_000875 salt: XX, batch: 01, target: Series 2, smilesparent: ClC(C=C1)=CC=C1C2=C(N=C3N2CCC3)C4=NC=CC=C4, name: 3-(4-chlorophenyl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: VIYAGYCXAFTDBU-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 513-1, mwparent: 295.77 OSA_000876 salt: XX, batch: 01, target: Series 2, smilesparent: ClC(C=C1)=C(Cl)C=C1C2=C(N=C3N2CCC3)C4=NC=CC=C4, name: 3-(3,4-dichlorophenyl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: WUTCGBDLPGSBLJ-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 514-1, mwparent: 330.21 OSA_000877 salt: XX, batch: 01, target: MurE, smilesparent: NC(=O)C(NC(=O)CSCC1=CC=C(Cl)S1)C=2C=CC=CC2, name: 2-(2-{[(5-chlorothiophen-2-yl)methyl]sulfanyl}acetamido)-2-phenylacetamide, inchikey: MJNWTILYOCSDIB-UHFFFAOYSA-N, vendoridlabnotebookid: Z225695112, mwparent: 354.874 OSA_000878 salt: XX, batch: 01, target: MurE, smilesparent: CC(=O)NCCC1=CC=C(S1)C(=O)COC=2C=CC(Cl)=CC2C(=O)N, name: 5-chloro-2-{2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethoxy}benzamide, inchikey: UNIMDKPUDKLWEN-UHFFFAOYSA-N, vendoridlabnotebookid: Z165884072, mwparent: 380.845 OSA_000879 salt: XX, batch: 01, target: MurE, smilesparent: CC=1C=C(Br)C(NC(=O)CN2C=NC=3C=CSC3C2=O)=C(Br)C1, name: N-(2,6-dibromo-4-methylphenyl)-2-{4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}acetamide, inchikey: KUHFZXKVCYDUSK-UHFFFAOYSA-N, vendoridlabnotebookid: Z194463984, mwparent: 457.139 OSA_000880 salt: XX, batch: 01, target: MurE, smilesparent: CC(SC1=NN=C(NCC2CCCO2)S1)C(=O)C=3C=CC(NS(=O)(=O)C)=CC3, name: N-(4-{2-[(5-{[(oxolan-2-yl)methyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl}phenyl)methanesulfonamide, inchikey: ADAQHFLLUAFEGA-UHFFFAOYSA-N, vendoridlabnotebookid: Z151832014, mwparent: 442.575 OSA_000881 salt: XX, batch: 01, target: MurE, smilesparent: O=C1NC=2C=CC(=CC2N1)S(=O)(=O)N(CC3=CC=CO3)CC4=CC=CS4, name: N-[(furan-2-yl)methyl]-2-oxo-N-[(thiophen-2-yl)methyl]-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide, inchikey: RMEWUQONMYNVEJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z89358547, mwparent: 389.448 OSA_000882 salt: XX, batch: 01, target: MurE, smilesparent: ClC=1C=C(Cl)C=C(C1)S(=O)(=O)N(CC2=CC=CO2)CC=3C=CC=NC3, name: 3,5-dichloro-N-[(furan-2-yl)methyl]-N-[(pyridin-3-yl)methyl]benzene-1-sulfonamide, inchikey: OMRIRZAARJOKLB-UHFFFAOYSA-N, vendoridlabnotebookid: Z279883960, mwparent: 397.275 OSA_000883 salt: XX, batch: 01, target: MurE, smilesparent: CN1C=NN=C1SC=2C=CC=CC2NS(=O)(=O)C=3C=CC=CC3Br, name: 2-bromo-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide, inchikey: XFZNLAMWFOPGPB-UHFFFAOYSA-N, vendoridlabnotebookid: Z219990972, mwparent: 425.323 OSA_000884 salt: XX, batch: 01, target: MurE, smilesparent: CSC1=NN=C(SCC(=O)N(C)C2=C(N)N(CC=3C=CC=CC3)C(=O)NC2=O)S1, name: N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methyl-2-{[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide, inchikey: ZHDRBISGDGBRPI-UHFFFAOYSA-N, vendoridlabnotebookid: Z19977288, mwparent: 450.558 OSA_000885 salt: XX, batch: 01, target: MurE, smilesparent: BrC=1C=CC(SCCNC(=O)CN2C=CC(=O)NC2=O)=CC1, name: N-{2-[(4-bromophenyl)sulfanyl]ethyl}-2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamide, inchikey: JSRAEJAECRRZNP-UHFFFAOYSA-N, vendoridlabnotebookid: Z136062636, mwparent: 384.248 OSA_000886 salt: XX, batch: 01, target: MurE, smilesparent: CC=1C=CC=CC1C2=NOC(CS(=O)CC=3C=C(ON3)C4=CC=CO4)=N2, name: 5-({[5-(furan-2-yl)-1,2-oxazol-3-yl]methanesulfinyl}methyl)-3-(2-methylphenyl)-1,2,4-oxadiazole, inchikey: VCRJRIGBBGDPQV-UHFFFAOYSA-N, vendoridlabnotebookid: Z351466306, mwparent: 369.394 OSA_000887 salt: XX, batch: 01, target: MurE, smilesparent: CC(C(=O)NC=1C=CC=C(C1)S(=O)(=O)NCC2=CC=CO2)N3C(=O)OC=4C=CC=CC34, name: N-(3-{[(furan-2-yl)methyl]sulfamoyl}phenyl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanamide, inchikey: KOEYSDUUGSCKKP-UHFFFAOYSA-N, vendoridlabnotebookid: Z227988304, mwparent: 441.457 OSA_000888 salt: XX, batch: 01, target: MurE, smilesparent: CC=1C=CC=C(NC(=O)CNC(=O)COC(=O)C2=CC=C(Br)S2)C1C, name: ({[(2,3-dimethylphenyl)carbamoyl]methyl}carbamoyl)methyl 5-bromothiophene-2-carboxylate, inchikey: FUUYSMUHUPVLQS-UHFFFAOYSA-N, vendoridlabnotebookid: Z15881021, mwparent: 425.296 OSA_000889 salt: XX, batch: 01, target: MurE, smilesparent: CCSC1=NN=C(SCC(=O)N2C(CC(=O)NC=3C=CC=CC23)C(F)(F)F)S1, name: 5-(2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetyl)-4-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one, inchikey: QJEMODVOQXHHGE-UHFFFAOYSA-N, vendoridlabnotebookid: Z224156390, mwparent: 448.506 OSA_000890 salt: XX, batch: 01, target: MurE, smilesparent: CN(C)S(=O)(=O)C=1C=CC(O)=C(NC(=O)CCC(=O)C2=CC=CS2)C1, name: N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-4-oxo-4-(thiophen-2-yl)butanamide, inchikey: UICQPOXSGPSPAA-UHFFFAOYSA-N, vendoridlabnotebookid: Z333299626, mwparent: 382.454 OSA_000891 salt: XX, batch: 01, target: MurE, smilesparent: CC(C)(C)C1=NN=C(SCC(=O)NC=2C=C3OCCOC3=CC2Br)N1, name: N-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-tert-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, inchikey: DAHQVZARIBFDFP-UHFFFAOYSA-N, vendoridlabnotebookid: Z269519532, mwparent: 427.316 OSA_000892 salt: XX, batch: 01, target: MurE, smilesparent: CN(CC1=CC=C(C)O1)S(=O)(=O)C=2C=C3OCC(=O)NC3=CC2Br, name: 6-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide, inchikey: QIACVYCVISULJI-UHFFFAOYSA-N, vendoridlabnotebookid: Z369190156, mwparent: 415.259 OSA_000893 salt: XX, batch: 01, target: MurE, smilesparent: CC(SC=1C=CC=2OCCOC2C1)C(=O)C3=C(N)N(C)C(=O)N(C)C3=O, name: 6-amino-5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanoyl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione, inchikey: RZUYICCFWFSHFT-UHFFFAOYSA-N, vendoridlabnotebookid: Z25044510, mwparent: 377.414 OSA_000894 salt: XX, batch: 01, target: MurE, smilesparent: CN(CC1=NC=2C=CSC2C(=O)N1)C(=O)CNC(=O)C3=CC=C(Br)O3, name: 2-[(5-bromofuran-2-yl)formamido]-N-methyl-N-({4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}methyl)acetamide, inchikey: VOAVFOSFYVMPTE-UHFFFAOYSA-N, vendoridlabnotebookid: Z229766396, mwparent: 425.257 OSA_000895 salt: XX, batch: 01, target: MurE, smilesparent: CCCC=1C=C(O)N=C(SCC(=O)N(CC)CC2=CC=C(Br)S2)N1, name: N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide, inchikey: KPXVRPGSHJOVKY-UHFFFAOYSA-N, vendoridlabnotebookid: Z65617463, mwparent: 430.382 OSA_000896 salt: XX, batch: 01, target: MurE, smilesparent: CC1CC1C2=CC=C(CN(C)S(=O)(=O)C=3C=CC=4NC(=O)C(=O)NC4C3)O2, name: N-methyl-N-{[5-(2-methylcyclopropyl)furan-2-yl]methyl}-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide, inchikey: ZDDCPCQFRSHGHB-UHFFFAOYSA-N, vendoridlabnotebookid: Z237889004, mwparent: 389.425 OSA_000897 salt: XX, batch: 01, target: MurE, smilesparent: CC(C)(C)CCCC(=O)NS(=O)(=O)C=1C=CC=C(C1)C2=NN=CO2, name: 5,5-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)benzenesulfonyl]hexanamide, inchikey: ZWMHEUIBQFFUGN-UHFFFAOYSA-N, vendoridlabnotebookid: Z1482058551, mwparent: 351.42 OSA_000898 salt: XX, batch: 01, target: MurE, smilesparent: CC(C)(C)OC(=O)C=1C=CSC1NC(=O)NCC(O)C=2C=CSC2, name: tert-butyl 2-({[2-hydroxy-2-(thiophen-3-yl)ethyl]carbamoyl}amino)thiophene-3-carboxylate, inchikey: SPHXEYTVRGISCC-UHFFFAOYSA-N, vendoridlabnotebookid: Z1720524522, mwparent: 368.471 OSA_000899 salt: XX, batch: 01, target: MurE, smilesparent: CNC(=O)C=1C=CC(=CC1)S(=O)(=O)NC2CCOC=3C(C)=CC(C)=CC23, name: 4-[(6,8-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)sulfamoyl]-N-methylbenzamide, inchikey: IMUDZICOHCKGOG-UHFFFAOYSA-N, vendoridlabnotebookid: Z981571390, mwparent: 374.453 OSA_000900 salt: XX, batch: 01, target: MurE, smilesparent: CC1CCCC(NC(=O)COC(=O)C=2SC=CC2N3C=NN=N3)C1C, name: [(2,3-dimethylcyclohexyl)carbamoyl]methyl 3-(1H-1,2,3,4-tetrazol-1-yl)thiophene-2-carboxylate, inchikey: BPJVWQUSLTUVDH-UHFFFAOYSA-N, vendoridlabnotebookid: Z381328020, mwparent: 363.434 OSA_000901 salt: XX, batch: 01, target: MurE, smilesparent: COC=1C(Br)=CC(Cl)=CC1S(=O)(=O)NC=2C=CC=CC2N3C=NN=N3, name: 3-bromo-5-chloro-2-methoxy-N-[2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]benzene-1-sulfonamide, inchikey: BKRJPBGGOMCVMZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z738160752, mwparent: 444.69 OSA_000902 salt: XX, batch: 01, target: MurE, smilesparent: CN(CC(=O)NC=1C(Br)=CC(C)=CC1Br)S(=O)(=O)C=2C(C)=NOC2C, name: N-(2,6-dibromo-4-methylphenyl)-2-(N-methyl3,5-dimethyl-1,2-oxazole-4-sulfonamido)acetamide, inchikey: CWBZNJKHNXANRT-UHFFFAOYSA-N, vendoridlabnotebookid: Z91717000, mwparent: 495.186 OSA_000903 salt: XX, batch: 01, target: MurE, smilesparent: CCC(C)NC(=O)C=1OC=2C=CC=CC2C1CSC3=NN=C(C)S3, name: N-(butan-2-yl)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1-benzofuran-2-carboxamide, inchikey: HCMBVEYARUEYHP-UHFFFAOYSA-N, vendoridlabnotebookid: Z915722616, mwparent: 361.481 OSA_000904 salt: XX, batch: 01, target: MurE, smilesparent: CC(SC1=NN=C(NCC2=CC=CO2)S1)C(=O)N3CC(=O)NC=4C=CC=CC34, name: 4-{2-[(5-{[(furan-2-yl)methyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl}-1,2,3,4-tetrahydroquinoxalin-2-one, inchikey: SGRNTWIQNSSUME-UHFFFAOYSA-N, vendoridlabnotebookid: Z113776520, mwparent: 415.489 OSA_000905 salt: XX, batch: 01, target: MurE, smilesparent: BrC1=CC=C(S1)S(=O)(=O)N(CC2=CC=CO2)C3CCS(=O)(=O)C3, name: 5-bromo-N-(1,1-dioxo-1??-thiolan-3-yl)-N-[(furan-2-yl)methyl]thiophene-2-sulfonamide, inchikey: FKWFITJYTBDISD-UHFFFAOYSA-N, vendoridlabnotebookid: Z45479947, mwparent: 440.352 OSA_000906 salt: XX, batch: 01, target: MurE, smilesparent: CN(CC=1C=CSC1)C(=O)CSC2=NC=3SC=CC3C(=O)N2, name: N-methyl-2-({4-oxo-3H,4H-thieno[2,3-d]pyrimidin-2-yl}sulfanyl)-N-[(thiophen-3-yl)methyl]acetamide, inchikey: YFACYLFZJLDLIA-UHFFFAOYSA-N, vendoridlabnotebookid: Z152415522, mwparent: 351.466 OSA_000907 salt: XX, batch: 01, target: MurE, smilesparent: CC(NS(=O)(=O)C=1C=CC(Br)=C(C)C1)C=2C=CC=CN2, name: 4-bromo-3-methyl-N-[1-(pyridin-2-yl)ethyl]benzene-1-sulfonamide, inchikey: UEYJIOQNWRNCIM-UHFFFAOYSA-N, vendoridlabnotebookid: Z45493831, mwparent: 355.25 OSA_000908 salt: XX, batch: 01, target: MurE, smilesparent: CC(SC1=NN=C(N1C)C(F)(F)F)C(=O)NC=2C=CC(=CC2)C(=O)N, name: 4-(2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamido)benzamide, inchikey: HXVZWRPAYLOSRQ-UHFFFAOYSA-N, vendoridlabnotebookid: Z25112280, mwparent: 373.353 OSA_000909 salt: XX, batch: 01, target: MurE, smilesparent: CC=1C=CC(NC(=O)CSC=2N=CC=CN2)=C(C1)S(=O)(=O)N3CCCCC3, name: N-[4-methyl-2-(piperidine-1-sulfonyl)phenyl]-2-(pyrimidin-2-ylsulfanyl)acetamide, inchikey: YDNOPRZVNGVOQK-UHFFFAOYSA-N, vendoridlabnotebookid: Z56861524, mwparent: 406.522 OSA_000910 salt: XX, batch: 01, target: MurE, smilesparent: COC=1C=CC(NC(=O)CSC2=NN=CN2)=CC1S(=O)(=O)N(C)C, name: N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide, inchikey: DBFZPRKPLVUQAY-UHFFFAOYSA-N, vendoridlabnotebookid: Z96276316, mwparent: 371.435 OSA_000911 salt: XX, batch: 01, target: MurE, smilesparent: CC(C)C1=NC(SCC(=O)NCC(=O)NC=2C=CC=C(Cl)C2C)=NN1, name: N-(3-chloro-2-methylphenyl)-2-(2-{[5-(propan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetamide, inchikey: QTFBXRVAATZOMM-UHFFFAOYSA-N, vendoridlabnotebookid: Z221593066, mwparent: 381.88 OSA_000912 salt: XX, batch: 01, target: MurE, smilesparent: CC(C(=O)NC1=CC(C)=NO1)S(=O)CC2=CSC(Br)=C2, name: 2-[(5-bromothiophen-3-yl)methanesulfinyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide, inchikey: SXPITQQWFJMCKC-UHFFFAOYSA-N, vendoridlabnotebookid: Z1138023270, mwparent: 377.277 OSA_000913 salt: XX, batch: 01, target: MurE, smilesparent: CC(N(C)S(=O)(=O)C=1C=CC=2NC(=O)NC(=O)C2C1)C=3C=CC=C(C3)C(F)(F)F, name: N-methyl-2,4-dioxo-N-{1-[3-(trifluoromethyl)phenyl]ethyl}-1,2,3,4-tetrahydroquinazoline-6-sulfonamide, inchikey: FLJAANRKIILSPM-UHFFFAOYSA-N, vendoridlabnotebookid: Z923985568, mwparent: 427.397 OSA_000914 salt: XX, batch: 01, target: MurE, smilesparent: CC=1C=C(SC1Br)S(=O)(=O)NC2CCCC3=C2C=NN3C, name: 5-bromo-4-methyl-N-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)thiophene-2-sulfonamide, inchikey: WEJWLWDSPAINHP-UHFFFAOYSA-N, vendoridlabnotebookid: Z1359630684, mwparent: 390.319 OSA_000915 salt: XX, batch: 01, target: MurE, smilesparent: CCOC(=O)C1=C2N(CCOC2=O)C(=O)NC1C=3C=CC=C(Br)C3, name: ethyl 8-(3-bromophenyl)-1,6-dioxo-1H,3H,4H,6H,7H,8H-pyrimido[4,3-c][1,4]oxazine-9-carboxylate, inchikey: IODPXRGLHHMBGY-UHFFFAOYSA-N, vendoridlabnotebookid: Z1154553253, mwparent: 395.204 OSA_000916 salt: XX, batch: 01, target: MurE, smilesparent: CN(CC(=O)NC1=NCCS1)C(=O)C2=CC=C(Br)S2, name: 2-[1-(5-bromothiophen-2-yl)-N-methylformamido]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide, inchikey: PJBIGYQAYHKGLF-UHFFFAOYSA-N, vendoridlabnotebookid: Z608745504, mwparent: 362.265 OSA_000917 salt: XX, batch: 01, target: MurE, smilesparent: CC(C)(C1=NOC(=N1)C2=CC=C(O2)C(=O)N)S(=O)(=O)C=3C=CC(Br)=CC3, name: 5-{3-[2-(4-bromobenzenesulfonyl)propan-2-yl]-1,2,4-oxadiazol-5-yl}furan-2-carboxamide, inchikey: UDGZDMXOMCUJDO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1689086400, mwparent: 440.268 OSA_000918 salt: XX, batch: 01, target: MurE, smilesparent: NC(=O)CSC=1C=CC=CC1C(=O)C(C#N)C2=NC=3C=CC=CC3O2, name: 2-({2-[2-(1,3-benzoxazol-2-yl)-2-cyanoacetyl]phenyl}sulfanyl)acetamide, inchikey: AABAAEWPRGZGCV-UHFFFAOYSA-N, vendoridlabnotebookid: Z732440326, mwparent: 351.379 OSA_000919 salt: XX, batch: 01, target: MurE, smilesparent: CC(C)OC=1C=C(CNS(=O)(=O)C=2C=C(Br)SC2C)C=CN1, name: 5-bromo-2-methyl-N-{[2-(propan-2-yloxy)pyridin-4-yl]methyl}thiophene-3-sulfonamide, inchikey: HYAHXZLMDPJSDY-UHFFFAOYSA-N, vendoridlabnotebookid: Z1530117207, mwparent: 405.33 OSA_000920 salt: XX, batch: 01, target: MurE, smilesparent: CC(SC1=NN=NN1CC2=CC=CO2)C3=NN=C(O3)C=4C=CC=C(C)C4, name: 1-[(furan-2-yl)methyl]-5-({1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl}sulfanyl)-1H-1,2,3,4-tetrazole, inchikey: BOOMSWKKANQBJS-UHFFFAOYSA-N, vendoridlabnotebookid: Z225016236, mwparent: 368.412 OSA_000921 salt: XX, batch: 01, target: MurE, smilesparent: COC(=O)C1=COC(=C1)S(=O)(=O)NC=2C=C(NN2)C3=CC=C(Cl)S3, name: methyl 5-{[5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-yl]sulfamoyl}furan-3-carboxylate, inchikey: PRUNZNSAQASTRO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1532467349, mwparent: 387.818 OSA_000922 salt: XX, batch: 01, target: MurE, smilesparent: OC=1C=CC(=CC1)N2N=NN=C2SCC=3C=CC=CC3Br, name: 4-(5-{[(2-bromophenyl)methyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)phenol, inchikey: LCHCWLKHJCMKEM-UHFFFAOYSA-N, vendoridlabnotebookid: Z25097447, mwparent: 363.232 OSA_000923 salt: XX, batch: 01, target: MurE, smilesparent: CC(NS(=O)(=O)C=1C=CC(Br)=CC1C)C2=CN(C)N=C2C, name: 4-bromo-N-[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]-2-methylbenzene-1-sulfonamide, inchikey: GWDZBHNGWWDSKO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1716700156, mwparent: 372.28 OSA_000924 salt: XX, batch: 01, target: MurE, smilesparent: CN(CC=1N=NN(C)N1)S(=O)(=O)C=2C=C(Br)C=CC2C, name: 5-bromo-N,2-dimethyl-N-[(2-methyl-2H-1,2,3,4-tetrazol-5-yl)methyl]benzene-1-sulfonamide, inchikey: RWGZGHAGRLBIIY-UHFFFAOYSA-N, vendoridlabnotebookid: Z2169347609, mwparent: 360.23 OSA_000925 salt: XX, batch: 01, target: MurE, smilesparent: CC(NC(=O)CSC=1N=C(N)C=C(O)N1)C=2C=CC=CC2Br, name: 2-[(4-amino-6-hydroxypyrimidin-2-yl)sulfanyl]-N-[1-(2-bromophenyl)ethyl]acetamide, inchikey: XNJYKOOQMJQEDA-UHFFFAOYSA-N, vendoridlabnotebookid: Z18826378, mwparent: 383.263 OSA_000926 salt: XX, batch: 01, target: MurE, smilesparent: CC(C)N1C=NN=C1SCC(=O)NC=2C=C(C=CC2Cl)S(=O)(=O)N(C)C, name: N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, inchikey: BRFPFVDVNBYPFO-UHFFFAOYSA-N, vendoridlabnotebookid: Z16605843, mwparent: 417.934 OSA_000927 salt: XX, batch: 01, target: MurE, smilesparent: CCOC(=O)C=1SC=2N=C(CSC3=NN=C(N3C)C(F)(F)F)NC(=O)C2C1C, name: ethyl 5-methyl-2-({[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate, inchikey: HJWAGJPDPGORJV-UHFFFAOYSA-N, vendoridlabnotebookid: Z25111994, mwparent: 433.428 OSA_000928 salt: XX, batch: 01, target: MurE, smilesparent: CN(CC1=CSC=N1)S(=O)(=O)C=2C=CC(=CC2C)N3CCCC3=O, name: N,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-N-[(1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide, inchikey: JTKKREFVVJRUJO-UHFFFAOYSA-N, vendoridlabnotebookid: Z909988532, mwparent: 365.47 OSA_000929 salt: XX, batch: 01, target: MurE, smilesparent: CCOC(=O)C=1C=CC(=CC1)S(=O)(=O)N(CC2CCCO2)CC3=CC=CS3, name: ethyl 4-{[(oxolan-2-yl)methyl][(thiophen-2-yl)methyl]sulfamoyl}benzoate, inchikey: ADKFPWHXNIFWIX-UHFFFAOYSA-N, vendoridlabnotebookid: Z90697065, mwparent: 409.519 OSA_000930 salt: XX, batch: 01, target: MurE, smilesparent: CC(SC1=NN=NN1C2CCCC2)C(=O)C3=CC=C(CNC(=O)C)S3, name: N-[(5-{2-[(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoyl}thiophen-2-yl)methyl]acetamide, inchikey: XLESHTDBZMVFSX-UHFFFAOYSA-N, vendoridlabnotebookid: Z166238832, mwparent: 379.5 OSA_000931 salt: XX, batch: 01, target: MurE, smilesparent: CC(SC1=NN=NN1C(C)(C)C)C(=O)C2=CC=C(CNC(=O)C)S2, name: N-[(5-{2-[(1-tert-butyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoyl}thiophen-2-yl)methyl]acetamide, inchikey: UKRFGIKLEKGMPZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z166164496, mwparent: 367.489 OSA_000932 salt: XX, batch: 01, target: MurE, smilesparent: CC=1C=CC(=C(C)C1)N2C=NN=C2SCC(=O)NC=3SC=CC3C#N, name: N-(3-cyanothiophen-2-yl)-2-{[4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, inchikey: RLUNPNOBOWHYBK-UHFFFAOYSA-N, vendoridlabnotebookid: Z23675677, mwparent: 369.463 OSA_000933 salt: XX, batch: 01, target: MurE, smilesparent: COC(=O)C1=C(CSC2=NN=C(N)S2)N(C)C(=O)NC1C=3C=CC=CC3, name: methyl 6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate, inchikey: FLKBIEQOSBWMSO-UHFFFAOYSA-N, vendoridlabnotebookid: Z334788388, mwparent: 391.467 OSA_000934 salt: XX, batch: 01, target: MurE, smilesparent: CC(=O)C=1C=CC=CC1NC(=O)CSC2=NC(=O)C=C(O)N2C3CCCC3, name: N-(2-acetylphenyl)-2-[(1-cyclopentyl-6-hydroxy-4-oxo-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamide, inchikey: XPFXIEOLXRGRIT-UHFFFAOYSA-N, vendoridlabnotebookid: Z327527956, mwparent: 387.452 OSA_000935 salt: XX, batch: 01, target: MurE, smilesparent: CC1=NC(COC=2C=CC=CC2C(=O)OC(C(=O)N)C=3C=CC=CC3)=NO1, name: carbamoyl(phenyl)methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate, inchikey: GIHGTPIXOWGSAH-UHFFFAOYSA-N, vendoridlabnotebookid: Z226662988, mwparent: 367.355 OSA_000936 salt: XX, batch: 01, target: MurE, smilesparent: CN(CC(=O)NC=1C(C)=CC=CC1C)C(=O)COC(=O)C=2C(C)=NOC2N, name: ({[(2,6-dimethylphenyl)carbamoyl]methyl}(methyl)carbamoyl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate, inchikey: RZEFSLQGCQHHBA-UHFFFAOYSA-N, vendoridlabnotebookid: Z151791656, mwparent: 374.391 OSA_000937 salt: XX, batch: 01, target: MurE, smilesparent: CCN(CC)S(=O)(=O)C=1C=CC(CNC(=O)C2=CC=C(C)NC2=O)=CC1, name: N-{[4-(diethylsulfamoyl)phenyl]methyl}-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide, inchikey: VWLHIPRQIKQEBC-UHFFFAOYSA-N, vendoridlabnotebookid: Z595661766, mwparent: 377.457 OSA_000938 salt: XX, batch: 01, target: MurE, smilesparent: CC1=NC2=NC(=NN2C(C)=C1CC(=O)NC3=NCCS3)C(F)(F)F, name: N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide, inchikey: VGECRAAWVRXGLD-UHFFFAOYSA-N, vendoridlabnotebookid: Z235601858, mwparent: 358.342 OSA_000939 salt: XX, batch: 01, target: MurE, smilesparent: CCC=1C=CC(=CC1)C2C3=C(COC3=O)NC4=C2C(=O)N(C)C(=O)N4C, name: 8-(4-ethylphenyl)-11,13-dimethyl-5-oxa-2,11,13-triazatricyclo[7.4.0.0?,?]trideca-1(9),3(7)-diene-6,10,12-trione, inchikey: KFXNUTNGAOTIIW-UHFFFAOYSA-N, vendoridlabnotebookid: Z90666760, mwparent: 353.371 OSA_000940 salt: XX, batch: 01, target: MurE, smilesparent: NC1=C(C(=O)COC=2C=CC(Br)=CC2Br)C(=O)NC(=O)N1C3CC3, name: 6-amino-1-cyclopropyl-5-[2-(2,4-dibromophenoxy)acetyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione, inchikey: CSPBWEFYJMLNRF-UHFFFAOYSA-N, vendoridlabnotebookid: Z152483394, mwparent: 459.089 OSA_000941 salt: XX, batch: 01, target: MurE, smilesparent: CN1C(=O)OC=2C=C(C=CC12)S(=O)(=O)NC3CC4CCC3(C)C4(C)C, name: 3-methyl-2-oxo-N-{1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}-2,3-dihydro-1,3-benzoxazole-6-sulfonamide, inchikey: LNFJNARZSVRTLF-UHFFFAOYSA-N, vendoridlabnotebookid: Z740625568, mwparent: 364.459 OSA_000942 salt: XX, batch: 01, target: MurE, smilesparent: CN(C)C(=O)CN(C)S(=O)(=O)C=1C=C2NC(=O)NC2=CC1Br, name: N,N-dimethyl-2-(N-methyl6-bromo-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamido)acetamide, inchikey: XGXXFTHXFHPGGS-UHFFFAOYSA-N, vendoridlabnotebookid: Z1316817166, mwparent: 391.24 OSA_000943 salt: XX, batch: 01, target: MurE, smilesparent: CSC1=NN=C(SCCS(=O)C=2C=C(Cl)C=CC2Cl)S1, name: 2-{[2-(2,5-dichlorobenzenesulfinyl)ethyl]sulfanyl}-5-(methylsulfanyl)-1,3,4-thiadiazole, inchikey: NCMMHXMAODVFIA-UHFFFAOYSA-N, vendoridlabnotebookid: Z652877744, mwparent: 385.375 OSA_000944 salt: XX, batch: 01, target: MurE, smilesparent: CC=1C=CC=C(C)C1N2N=NN=C2COC(=O)C=3C=C4CCCCC4=CC3O, name: [1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate, inchikey: NATWRLPVYBYJEZ-UHFFFAOYSA-N, vendoridlabnotebookid: Z857281148, mwparent: 378.424 OSA_000945 salt: XX, batch: 01, target: MurE, smilesparent: O=C(NS(=O)(=O)C=1C=CC(C#N)=CC1)C=2C=CC=3SCC(=O)NC3C2, name: N-(4-cyanobenzenesulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide, inchikey: PHVZVRXFXCISRD-UHFFFAOYSA-N, vendoridlabnotebookid: Z477248980, mwparent: 373.406 OSA_000946 salt: XX, batch: 01, target: MurE, smilesparent: CC1CCCC(N1S(=O)(=O)C=2C=CC(=CC2)C(=O)N)C=3C=CC=CC3, name: 4-[(2-methyl-6-phenylpiperidin-1-yl)sulfonyl]benzamide, inchikey: QGCUFOGEKNGDIO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1410859450, mwparent: 358.454 OSA_000947 salt: XX, batch: 01, target: MurE, smilesparent: CN(CC=1SC=CC1C)S(=O)(=O)C=2C=CC=3NC(=O)C(C)(C)C3C2, name: N,3,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide, inchikey: KXNNPMVJOOYHFT-UHFFFAOYSA-N, vendoridlabnotebookid: Z1398456107, mwparent: 364.482 OSA_000948 salt: XX, batch: 01, target: MurE, smilesparent: COC(=O)C=1C=CC(=CC1C(F)(F)F)S(=O)(=O)NC2=CN=NN2C, name: methyl 4-[(1-methyl-1H-1,2,3-triazol-5-yl)sulfamoyl]-2-(trifluoromethyl)benzoate, inchikey: ODFPJXVXCYHFIL-UHFFFAOYSA-N, vendoridlabnotebookid: Z2038266815, mwparent: 364.3 OSA_000949 salt: XX, batch: 01, target: MurE, smilesparent: CON(C)S(=O)(=O)C=1C=CC=C(C1)C(=O)NC=2SC=C(C3CC3)C2C(=O)OC, name: methyl 4-cyclopropyl-2-{3-[methoxy(methyl)sulfamoyl]benzamido}thiophene-3-carboxylate, inchikey: BXYGZALJLQGJIA-UHFFFAOYSA-N, vendoridlabnotebookid: Z1373909309, mwparent: 424.491 OSA_000950 salt: XX, batch: 01, target: MurE, smilesparent: CN1C=NC=2CN(CCC2C1=O)S(=O)(=O)C=3C=CC(=NC3)C(F)(F)F, name: 3-methyl-7-{[6-(trifluoromethyl)pyridin-3-yl]sulfonyl}-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one, inchikey: YMEXXNSBRUEFAD-UHFFFAOYSA-N, vendoridlabnotebookid: Z1754552364, mwparent: 374.338 OSA_000951 salt: XX, batch: 01, target: MurE, smilesparent: CC=1C=CC=C(C1Br)S(=O)(=O)NC2=NC(=CN2)C(F)(F)F, name: 2-bromo-3-methyl-N-[4-(trifluoromethyl)-1H-imidazol-2-yl]benzene-1-sulfonamide, inchikey: POTWXBBBWQZHLJ-UHFFFAOYSA-N, vendoridlabnotebookid: Z2038283224, mwparent: 384.172 OSA_000952 salt: XX, batch: 01, target: MurE, smilesparent: CCC1=NOC(CC)=C1CNS(=O)(=O)C=2C=CC=3CCNC(=O)C3C2, name: N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide, inchikey: TVFKBEHFVCIZHK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1396968985, mwparent: 363.431 OSA_000953 salt: XX, batch: 01, target: MurE, smilesparent: CN1C(=O)N(C)C=2C=C(C=CC12)S(=O)(=O)NC3(C)CC=4C=CC=CC4C3, name: 1,3-dimethyl-N-(2-methyl-2,3-dihydro-1H-inden-2-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide, inchikey: CUFMJAIKVIBUKL-UHFFFAOYSA-N, vendoridlabnotebookid: Z1564321265, mwparent: 371.453 OSA_000954 salt: XX, batch: 01, target: MurE, smilesparent: CC(C)C=1C=CC=C2CN(CCC12)S(=O)(=O)C=3C=C(C(=O)N)N(C)C3, name: 1-methyl-4-{[5-(propan-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-yl]sulfonyl}-1H-pyrrole-2-carboxamide, inchikey: JOQJPFZRDFRYDO-UHFFFAOYSA-N, vendoridlabnotebookid: Z1829550660, mwparent: 361.458 OSA_000955 salt: XX, batch: 01, target: MurE, smilesparent: CNC(=O)C(O)CNC(=O)C=1C=C(Br)SC1Br, name: 3-[(2,5-dibromothiophen-3-yl)formamido]-2-hydroxy-N-methylpropanamide, inchikey: IYAGKYMIHCPYAS-UHFFFAOYSA-N, vendoridlabnotebookid: Z1915728203, mwparent: 386.06 OSA_000956 salt: XX, batch: 01, target: MurE, smilesparent: BrC1=CC=C(O1)C(=O)N2CCNC(=O)C2C3=CC=CS3, name: 4-(5-bromofuran-2-carbonyl)-3-(thiophen-2-yl)piperazin-2-one, inchikey: COQPGOWAVZUHPM-UHFFFAOYSA-N, vendoridlabnotebookid: Z1275565768, mwparent: 355.207 OSA_000957 salt: XX, batch: 01, target: MurE, smilesparent: NC(=O)C1=NOC(=N1)C2CCCN2S(=O)(=O)C=3C(F)=CC=CC3Br, name: 5-[1-(2-bromo-6-fluorobenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide, inchikey: WRFRXVPTLUNUMA-UHFFFAOYSA-N, vendoridlabnotebookid: Z1911251152, mwparent: 419.226 OSA_000958 salt: XX, batch: 01, target: MurE, smilesparent: COC(=O)C1=CC=C(S1)S(=O)(=O)NC2=NN=C(CCC3=CC=CO3)N2, name: methyl 5-({5-[2-(furan-2-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfamoyl)thiophene-2-carboxylate, inchikey: XWZYOTMDCYMCMK-UHFFFAOYSA-N, vendoridlabnotebookid: Z1833439878, mwparent: 382.414 OSA_000959 salt: XX, batch: 01, target: MurE, smilesparent: CC1CC=2C=C(C=C(Cl)C2O1)S(=O)(=O)NC(=O)C3=CSC(C)=N3, name: N-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-methyl-1,3-thiazole-4-carboxamide, inchikey: QAMRDNDOFKPPED-UHFFFAOYSA-N, vendoridlabnotebookid: Z1216046212, mwparent: 372.847 OSA_000960 salt: XX, batch: 01, target: MurE, smilesparent: FC(F)(F)C=1C=CC=C(Cl)C1S(=O)(=O)NC=2N=C3N=CC=CN3N2, name: 2-chloro-N-{[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-6-(trifluoromethyl)benzene-1-sulfonamide, inchikey: UMVHISGKTLBDNH-UHFFFAOYSA-N, vendoridlabnotebookid: Z1249718136, mwparent: 377.729 OSA_000961 salt: XX, batch: 01, target: MurE, smilesparent: CC1=NOC(CSC=2C=CC(=CC2)C(=O)NC=3C=CC(C)=CC3O)=N1, name: N-(2-hydroxy-4-methylphenyl)-4-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}benzamide, inchikey: ZYQDLFSMSZZXRG-UHFFFAOYSA-N, vendoridlabnotebookid: Z336859476, mwparent: 355.41 OSA_000962 salt: XX, batch: 01, target: MurE, smilesparent: CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCCC2CC(=O)C3=CC=CO3, name: 4-({2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl}sulfonyl)-1-methyl-1H-pyrrole-2-carboxamide, inchikey: RTPXBZVIJSQENF-UHFFFAOYSA-N, vendoridlabnotebookid: Z1623867482, mwparent: 365.404 OSA_000963 salt: XX, batch: 01, target: MurE, smilesparent: CC=1SC(=CC1S(=O)(=O)NC(C2CC2)C=3C=CC(Cl)=CC3)C(=O)N, name: 4-{[(4-chlorophenyl)(cyclopropyl)methyl]sulfamoyl}-5-methylthiophene-2-carboxamide, inchikey: MKZIAEMZBBGXTR-UHFFFAOYSA-N, vendoridlabnotebookid: Z1618355681, mwparent: 384.9 OSA_000964 salt: XX, batch: 01, target: MurE, smilesparent: CN(CC1=NOC(C)=N1)S(=O)(=O)C=2C=CC(F)=CC2Br, name: 2-bromo-4-fluoro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1-sulfonamide, inchikey: BITUUWPTVNTJIN-UHFFFAOYSA-N, vendoridlabnotebookid: Z1614342359, mwparent: 364.19 OSA_000965 salt: XX, batch: 01, target: MurE, smilesparent: COC=1C=CC(=CC1C(=O)N(C)C)S(=O)(=O)NC(C)C=2C=CON2, name: 2-methoxy-N,N-dimethyl-5-{[1-(1,2-oxazol-3-yl)ethyl]sulfamoyl}benzamide, inchikey: CEGJLNNQFNIDDH-UHFFFAOYSA-N, vendoridlabnotebookid: Z1591817408, mwparent: 353.393 OSA_000966 salt: XX, batch: 01, target: MurE, smilesparent: CC1=NNC(C)=C1NS(=O)(=O)C=2C(Cl)=CC(F)=CC2Br, name: 2-bromo-6-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorobenzene-1-sulfonamide, inchikey: ZAIKJFFFVWXMAU-UHFFFAOYSA-N, vendoridlabnotebookid: Z1560853849, mwparent: 382.636 OSA_000967 salt: XX, batch: 01, target: MurE, smilesparent: ClC=1C=C(SC1Br)S(=O)(=O)NC=2C=CN=CC2Br, name: 5-bromo-N-(3-bromopyridin-4-yl)-4-chlorothiophene-2-sulfonamide, inchikey: WMGAZERCSOMJBT-UHFFFAOYSA-N, vendoridlabnotebookid: Z1532460536, mwparent: 432.539 OSA_000968 salt: XX, batch: 01, target: MurE, smilesparent: COC=1C=CC=CC1CN(CC2=CC=CS2)S(=O)(=O)C=3C(C)=NOC3C, name: N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-N-[(thiophen-2-yl)methyl]-1,2-oxazole-4-sulfonamide, inchikey: JZRGECYWBAJKQY-UHFFFAOYSA-N, vendoridlabnotebookid: Z45493066, mwparent: 392.492 OSA_000969 salt: XX, batch: 01, target: MurE, smilesparent: CN(C(C1=NC=CN1C)C=2C=CC(Cl)=CC2)S(=O)(=O)C3=CC=CS3, name: N-[(4-chlorophenyl)(1-methyl-1H-imidazol-2-yl)methyl]-N-methylthiophene-2-sulfonamide, inchikey: LJMDTUNDYSLQLM-UHFFFAOYSA-N, vendoridlabnotebookid: Z198107736, mwparent: 381.9 OSA_000970 salt: XX, batch: 01, target: MurE, smilesparent: CC(OC(=O)C=1C=CC=CC1NS(=O)(=O)C)C=2N=C(N)N=C(N2)N(C)C, name: 1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl 2-methanesulfonamidobenzoate, inchikey: AIUUEWJQORLUTG-UHFFFAOYSA-N, vendoridlabnotebookid: Z193623960, mwparent: 380.422 OSA_000971 salt: XX, batch: 01, target: MurE, smilesparent: CCOC(=O)C1=C(C)NN=C1CSC2=NN=C(S2)C(F)(F)F, name: ethyl 5-methyl-3-({[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)-1H-pyrazole-4-carboxylate, inchikey: YJZWFJGEZDNRMS-UHFFFAOYSA-N, vendoridlabnotebookid: Z2234628907, mwparent: 352.355 OSA_000972 salt: XX, batch: 01, target: MurE, smilesparent: CN(C(C=1C=CC=CC1)C=2C=CC=CC2Br)S(=O)(=O)C=3C=CC=NC3, name: N-[(2-bromophenyl)(phenyl)methyl]-N-methylpyridine-3-sulfonamide, inchikey: GWKOPZUIMGPWSK-UHFFFAOYSA-N, vendoridlabnotebookid: Z3480645288, mwparent: 417.319 OSA_000973 salt: XX, batch: 01, target: Series 2, smilesparent: CC(C(C=C1)=CC=C1C2=C(N=C3N2CCC3)C4=NC=CC=C4)=O, name: 1-(4-(2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl)ethan-1-one, inchikey: OPKUPOHLFWBSQR-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 518-1, mwparent: 303.37 OSA_000974 salt: XX, batch: 01, target: Series 2, smilesparent: O=C(N(C)C)C(C=C1)=CC=C1C2=C(N=C3N2CCC3)C4=NC=CC=C4, name: N,N-dimethyl-4-(2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)benzamide, inchikey: MTKSVFFTCLUIJF-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 519-1, mwparent: 332.41 OSA_000975 salt: XX, batch: 01, target: Series 2, smilesparent: N#CC(C=C1)=CC=C1C2=C(N=C3N2CCC3)C4=NC=CC=C4, name: 4-(2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)benzonitrile, inchikey: NBRQCXZMVVOHSA-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 520-1, mwparent: 286.34 OSA_000976 salt: XX, batch: 01, target: Series 2, smilesparent: CC1=CC=CC(C2=C(N=C3N2CCC3)C4=NC=CC=C4)=C1, name: 2-(pyridin-2-yl)-3-(m-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: NMIHCZXICYHJIE-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 521-1, mwparent: 275.36 OSA_000977 salt: XX, batch: 01, target: Series 2, smilesparent: CC(C=CC=C1)=C1C2=C(N=C3N2CCC3)C4=NC=CC=C4, name: 2-(pyridin-2-yl)-3-(o-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, inchikey: QNAQYCZFYBEIDI-UHFFFAOYSA-N, vendoridlabnotebookid: EGT 522-1, mwparent: 275.36 OSA_000978 salt: XX, batch: 01, target: Series 2, smilesparent: ClC1=CC2=NC(C3=NC=CC=C3)=C(C4=CC=C(C)C=C4)N2C=C1, name: 7-chloro-2-(pyridin-2-yl)-3-(p-tolyl)imidazo[1,2-a]pyridine, inchikey: YXHWITGNWUEOBH-UHFFFAOYSA-N, vendoridlabnotebookid: DMK159-1-A, mwparent: 319.79 OSA_000979 salt: XX, batch: 01, target: Series 2, smilesparent: FC1=CC=C(C=C1)N(CC1CC1)C1=C(N=C2C=CC=CN12)C1=NC=CC=C1, name: N-(cyclopropylmethyl)-N-(4-fluorophenyl)-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: RNJXEYGQBJZJSA-UHFFFAOYSA-N, vendoridlabnotebookid: NEU-0006673=AA-001=D, mwparent: 358.42 OSA_000980 salt: XX, batch: 01, target: Series 2, smilesparent: COC1=CN2C(C=C1)=NC(=C2N(C)C1=CC=C(F)C=C1)C1=NC=CC=C1, name: N-(4-fluorophenyl)-6-methoxy-N-methyl-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: SIRULPZSVMNBEM-UHFFFAOYSA-N, vendoridlabnotebookid: NEU-0006729=AA-001=D, mwparent: 348.38 OSA_000981 salt: XX, batch: 01, target: Series 2, smilesparent: CCN(C1=C(N=C2C=CC=CN12)C1=NC=CC=C1)C1=CC=C(F)C=C1, name: N-ethyl-N-(4-fluorophenyl)-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: FTCOJPXKXFJYCI-UHFFFAOYSA-N, vendoridlabnotebookid: NEU-0006727=AA-001=D, mwparent: 332.38 OSA_000982 salt: XX, batch: 01, target: Series 2, smilesparent: CCCN(C1=C(N=C2C=CC=CN12)C1=NC=CC=C1)C1=CC=C(F)C=C1, name: N-(4-fluorophenyl)-N-propyl-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: KOHFUKYQDJSMIP-UHFFFAOYSA-N, vendoridlabnotebookid: NEU-0006726=AA-001=D, mwparent: 346.41 OSA_000983 salt: XX, batch: 01, target: Series 2, smilesparent: CC(C)CN(C1=C(N=C2C=CC=CN12)C1=CC=CC=N1)C1=CC=C(F)C=C1, name: N-(4-fluorophenyl)-N-isobutyl-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine, inchikey: MIRZWDMDFHEHSC-UHFFFAOYSA-N, vendoridlabnotebookid: NEU-0006886=AA-001=D, mwparent: 360.44 OSA_000984 salt: XX, batch: 01, target: Series 2, smilesparent: FC1=CC=C(NC2=C(N=C3SC=CN23)C2=NC=CC=C2)C=C1, name: N-(4-fluorophenyl)-6-(pyridin-2-yl)imidazo[2,1-b]thiazol-5-amine, inchikey: NHJJWJCHIUONDS-UHFFFAOYSA-N, vendoridlabnotebookid: NEU-0006675=AA-001=D, mwparent: 310.35