smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1nnn[nH]1 103995624 YUTHPEZRLPCWGF-UXBLZVDNSA-N 303.713 1.572 10 10 DDCE CC(C)[C@@H]1SC[C@@H](C(=O)O)N1C(=O)Cc1ccc(N)cc1 111417714 IVLXFJOEBRFOOT-JSGCOSHPSA-N 308.403 1.822 10 10 DDCE NCc1ccc(N2CCN(c3ncccn3)CC2)cc1Cl 61845575 IIVQPCMROCXKEL-UHFFFAOYSA-N 303.797 1.915 10 10 DDCE N[C@H]1CC[C@@H]1S(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2363564783 KGCULJDKINZALR-WPRPVWTQSA-N 310.297 1.642 10 10 DDCE CC(C)OC(=O)N1CCC(NC(=O)Cc2ccc(N)cc2)CC1 236771506 BTFVTNPAZJQYPM-UHFFFAOYSA-N 319.405 1.937 10 10 DDCE CN(CC(=O)NCc1ccc(N(C)C)cc1)C[C@H]1CCCCO1 266704727 HXKUYQQOTQOIGP-QGZVFWFLSA-N 319.449 1.870 10 10 DDCE COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(Cl)c(F)cc1O 294526003 CWIKOKLHMRZYPY-DGCLKSJQSA-N 317.744 1.683 10 10 DDCE CC(=O)C(=O)COC(=O)CCCOc1cccc(C(C)=O)c1 808510100 DHTORPGTCZLFPM-UHFFFAOYSA-N 306.314 1.750 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C)C1=O 295388052 YDZGLEDOCVWPNI-CQSZACIVSA-N 304.390 1.999 10 10 DDCE COc1ccc(N2CCN(CCNC(=O)C3(F)CC3)CC2)cc1 843775416 CHAKKXIYJRDTSM-UHFFFAOYSA-N 321.396 1.436 10 10 DDCE CC(=O)C(=O)COC(=O)[C@]1(C(=O)OC(C)(C)C)CC=CCC1 845430632 NRKVCKWUPNOQFA-INIZCTEOSA-N 310.346 1.756 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@]2(CCSC2)C1 843946397 NFIBFJQRTSEERI-ICTCPBKTSA-N 321.398 1.846 10 10 DDCE CCOCc1cc(CNCC[C@@H]2CNC(=O)C2)ccc1OC 922780667 DDVSDOATNHFMBO-AWEZNQCLSA-N 306.406 1.848 10 10 DDCE COc1cc(O)c(CNCCCc2ncn(C)n2)cc1OC 843420084 KENPNBQZABTVHA-UHFFFAOYSA-N 306.366 1.260 10 10 DDCE CN(C)c1cc(F)c(CNC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1F 922724211 CAMGGRHMPLCKAE-HSMVNMDESA-N 312.360 1.924 10 10 DDCE CN1CCN(c2ccc(CN[C@H]3C[C@@H](N)C34CCC4)cc2)CC1 925761251 BSHQPFBCBAXOGZ-MSOLQXFVSA-N 314.477 1.798 10 10 DDCE Cc1cc(Cl)cc([C@H](C)NC[C@H](O)CS(C)(=O)=O)c1O 927028978 YKEQHJPUAMSDDF-ONGXEEELSA-N 321.826 1.410 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C=C3CCNCC3)C2)cc1 852900197 JGGHBNKNSLVPJL-OAHLLOKOSA-N 315.417 1.700 10 10 DDCE C[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)c2ncnn21 850352400 URNBQLXYCYHSHB-CJNGLKHVSA-N 313.405 1.910 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3nonc3C)C2)cc1 855230642 GQFLGYHXJYGXJF-NSHDSACASA-N 302.334 1.395 10 10 DDCE NCC1(O)CCN(Cc2ccc(Br)cc2O)CC1 700968365 JKYAGELYYDDLCG-UHFFFAOYSA-N 315.211 1.440 10 10 DDCE COC[C@]1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 863833393 TVURIYVVLXIOEE-NBUZRDOWSA-N 307.346 1.375 10 10 DDCE OC[C@]1(O)CCCN(Cc2c(O)cccc2Br)C1 862392778 QNMVWKWLRAMDQI-ZDUSSCGKSA-N 316.195 1.474 10 10 DDCE CNC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(C)c2)cn1C 776748559 PFPZYGYVHBDYCA-UHFFFAOYSA-N 323.374 1.200 10 10 DDCE CC(=O)c1cc(F)cc(Cn2cc(CNC3CC3)nn2)c1O 880996251 RWKULRYKAINDHK-UHFFFAOYSA-N 304.325 1.626 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@]12C[C@H]1COC21CCC1 887127984 GRHLVOUUPBLHPH-OEEYEBAXSA-N 301.342 1.939 10 10 DDCE CNC(=O)[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 896430751 YFIGLSFURTYMLA-SECBINFHSA-N 320.370 1.663 10 10 DDCE COc1ccc(CNC(=O)NCc2cccnc2OC)c(O)c1 792795188 CGFWDNNXIMWJEP-UHFFFAOYSA-N 317.345 1.804 10 10 DDCE Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCCc2ccnc(O)c21 1149438000 IHEDFPQWLHKUAB-UHFFFAOYSA-N 314.345 1.045 10 10 DDCE CCO[C@H]1C[C@@](CO)(NC(=O)Cc2ccc(O)c(O)c2)C1(C)C 1154413044 HOUIEDBMQBSJNK-YOEHRIQHSA-N 323.389 1.323 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc(-n2cnnn2)cc1 1153879632 SFULUKMXDDKQRF-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccnc(-n2cncn2)c1 1156881260 WCIRCIQTGWWBBW-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE CCN(c1ccc(N)cc1)S(=O)(=O)CCCC(=O)OC 63114396 KUMFWZCIGSNKRX-UHFFFAOYSA-N 300.380 1.378 10 10 DDCE C[C@H](c1c(O)cccc1O)N(C)CC(C)(C)S(C)(=O)=O 713911531 IQTNWKZLQXJREA-SNVBAGLBSA-N 301.408 1.914 10 10 DDCE Cn1nnc2ccc(C(=O)NCc3c(O)cccc3F)cc21 1471975870 KRZLCAUYTLKMJV-UHFFFAOYSA-N 300.293 1.743 10 10 DDCE Cc1occc1C(=O)NCC(=O)NCc1c(O)cccc1O 1639292488 FJWFUVNKSONMDV-UHFFFAOYSA-N 304.302 1.045 10 10 DDCE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCN=[N+]=[N-] 1912158020 UKHJCPPMSRJMTG-UHFFFAOYSA-N 301.284 1.192 10 10 DDCE Cc1cc(C(=O)NC[C@@H](O)CO)c(C)n1-c1cccc(Cl)c1 1646227393 GUTNJANYTVBTLI-CQSZACIVSA-N 322.792 1.831 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)[C@H]2CCN(C)C2)cc1C 1669740583 BFPOIMYMQRGIJJ-HOCLYGCPSA-N 319.449 1.550 10 10 DDCE CCCn1c(C)nc2c(O)c(CN3CCOCC3)ccc2c1=O 39124456 HYGBROVJHMJWQQ-UHFFFAOYSA-N 317.389 1.653 10 10 DDCE NC(=O)C1CCN(/N=N/c2ccc(N3CCOCC3)cc2)CC1 1860493834 FCCPVKHFGPEOIU-VHEBQXMUSA-N 317.393 1.719 10 10 DDCE O=C(NC[C@H]1COc2ccccc2O1)c1cc(O)c(O)c(O)c1 1865876256 ZNPNXMXJEVUOJS-JTQLQIEISA-N 317.297 1.373 10 10 DDCE O=C(Nc1ccc(C2=NCCN2)cc1)c1cc(O)c(O)c(O)c1 1865876558 SMUOSQYBDCSHGL-UHFFFAOYSA-N 313.313 1.406 10 10 DDCE CCS(=O)(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 1253272802 ZOZTXFPALDQJQP-ZETCQYMHSA-N 302.421 1.733 10 10 DDCE Oc1c(Br)cccc1CNC[C@H]1COC[C@H]1O 1948501014 IOQNKJRZOPRIFA-GXSJLCMTSA-N 302.168 1.252 10 10 DDCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)C2CCC(=O)CC2)CC1 2155553332 FQKMGFCWEHVMNA-SNVBAGLBSA-N 300.384 1.993 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NCc2ccccc2O)C1 307857982 GKGRUBVUWNJITN-OCCSQVGLSA-N 308.378 1.462 10 10 DDCE CS(=O)(=O)N[C@@H]1CCCN(c2ccc(CO)cc2Cl)C1 702957255 CJODJRRKWLUHSH-LLVKDONJSA-N 318.826 1.350 10 10 DDCE C[C@@H]([C@@H](C)N(C)c1c(F)cc(CN)cc1F)S(C)(=O)=O 2170629844 GZFMLHPTSZBDHI-BDAKNGLRSA-N 306.378 1.681 10 10 DDCE Nc1ccc(CNS(=O)(=O)c2ccc(N)cc2Cl)cc1 2191636407 DKWUZSWRIUYVIX-UHFFFAOYSA-N 311.794 1.983 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N=c1cc[nH]cc1Br 2087724951 NSILHQWGZXTXRW-UHFFFAOYSA-N 323.146 1.858 10 10 DDCE CCN([C@@H]1CCSC1)S(=O)(=O)Cc1ccc(N)cc1 2113800320 RRIGMPFVFRUFNH-CYBMUJFWSA-N 300.449 1.926 10 10 DDCE NCC1(NCc2cc(Br)c(O)cc2O)CCC1 2248028575 LOGGRMFJZLWNEG-UHFFFAOYSA-N 301.184 1.831 10 10 DDCE C[C@H](N)c1ccc(N2CC(O)(CCO)C2)cc1Br 2258282234 NSXREPWIBZZFKH-VIFPVBQESA-N 315.211 1.402 10 10 DDCE CCOC(=O)C1CC(O)(CNCc2cnc(SC)s2)C1 2284540791 FUQDSYBDLGDXDY-UHFFFAOYSA-N 316.448 1.659 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3OCC[C@]3(CO)C2)cc1Cl 2296390894 FMCQUQDJBDFRJL-UONOGXRCSA-N 300.761 1.525 10 10 DDCE COC(=O)CN(C(=O)/C=C/c1cnccn1)c1cccc(F)c1 492051530 RUJFVBYEJGIPLV-AATRIKPKSA-N 315.304 1.835 10 10 DDCE C[C@H](O)c1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)cc1Cl 2336462645 GIECTQXPMTZWAB-RVBZMBCESA-N 301.795 1.627 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCC[C@H](N)C2)s1 2345408583 OWPGVOMFLAKEOS-QPUJVOFHSA-N 301.437 1.679 10 10 DDCE CC(=O)N1CC[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 176268056 WBOYDMVDBHDISW-CYBMUJFWSA-N 307.369 1.376 10 10 DDCE COc1cccc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)c1O 122459949 WMBZMHWVJOBRPV-OAHLLOKOSA-N 317.389 1.807 10 10 DDCE Cc1sc(S(=O)(=O)NCCc2ccc(N)cc2)cc1N 2363018154 FZEQICRBDIQSOH-UHFFFAOYSA-N 311.432 1.742 10 10 DDCE COC(=O)COc1ccc(N(C)C[C@@H](O)CC(F)(F)F)cc1 189925708 DXAKEFKMNQVWPY-NSHDSACASA-N 321.295 1.988 10 10 DDCE CCCOc1ccc(CN2CCN(CCO)[C@H](C)C2)c(O)c1 190236953 ODTXVNOHFNJRDC-CQSZACIVSA-N 308.422 1.679 10 10 DDCE C[C@@]1(C(N)=O)CCN(c2ccc(CN)cc2Br)C1 235404672 VRQCXCBQJQUXRC-CYBMUJFWSA-N 312.211 1.610 10 10 DDCE COC(=O)CCNC(=O)/C=C\c1ccc2c(c1)CCCN2C 96187994 OOOUYKVCHXAXCX-VURMDHGXSA-N 302.374 1.762 10 10 DDCE CCN1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2C)C1=O 801799452 DEBGNUQMTNWHBX-HNNXBMFYSA-N 318.421 1.481 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCNC(=O)CC1 815629756 LYELRBHXHJIPBH-ZDUSSCGKSA-N 303.406 1.594 10 10 DDCE COc1ccc(O)c([C@H](C)NC[C@@H]2CCCCN2CCO)c1 824583443 LSFQWUJUUHCVKF-KBPBESRZSA-N 308.422 1.898 10 10 DDCE COC(=O)CC[C@@H]1CC[C@H](C(=O)N2Cc3cccc(O)c3C2)O1 825356276 OZOCXUURLAIVCO-SWLSCSKDSA-N 319.357 1.735 10 10 DDCE CN(C)c1ccc(/C=C/CNCc2nnnn2CC2CC2)cc1 835046319 ILFZPCVOMMWZTH-ONEGZZNKSA-N 312.421 1.952 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)C1C[C@H]2COC[C@@H](C1)C2=O 846476700 OSSMHCVLBCWJIZ-CLYYMRHHSA-N 323.776 1.904 10 10 DDCE COC[C@H]1CCN(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1 842785069 LKBNANLHZVVJBC-BBRMVZONSA-N 320.437 1.430 10 10 DDCE COC(=O)[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccnn1C 843430494 XVLGWNOORYLJRV-OAHLLOKOSA-N 320.368 1.629 10 10 DDCE O=C1N=C(N2CCOCC2)S/C1=C/c1cn(C2CCC2)nn1 849243494 JYBXDNKKFIIBJD-XYOKQWHBSA-N 319.390 1.306 10 10 DDCE O=C(NCc1ncc2c(n1)CCOC2)c1c(F)ccc(O)c1O 846657783 GJQYZCNFIQFWIB-UHFFFAOYSA-N 319.292 1.030 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](O)C[C@@H]3C)C2)cc1 854299110 LLFBDLXDBADYEM-KCQAQPDRSA-N 319.405 1.439 10 10 DDCE CN1C[C@H](CCNC(=O)N(C)Cc2ccccc2O)CC1=O 924730313 FAPMPRDHUSIABL-GFCCVEGCSA-N 305.378 1.402 10 10 DDCE COc1ccc(N2CC[C@@H](NCc3cncnc3OC)C2)cc1 850347173 PCRNLMRPUARKHS-CQSZACIVSA-N 314.389 1.862 10 10 DDCE C[C@H]1COC2(CCC2)CN1Cc1cc2c(cc1O)OC[C@@H]2O 853541087 NREDOPCKMYMVPF-NHYWBVRUSA-N 305.374 1.961 10 10 DDCE C[C@H](NC(=O)NCCN1CCCOCC1)c1ccccc1O 868647134 DWBPBYFCCMBZIW-ZDUSSCGKSA-N 307.394 1.475 10 10 DDCE O=C(CCN1CCOC1=O)NCc1ccc2cccnc2c1O 862028395 XYPJJJAOHILFFQ-UHFFFAOYSA-N 315.329 1.399 10 10 DDCE NC(=O)C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 779481900 RMLBQLSJRNFGPZ-PZBABLGHSA-N 304.346 1.368 10 10 DDCE Cc1cc(Br)c(O)c(CN2CCN(C)C(=O)C2)c1 781913989 VJJQCZNKLOVOIL-UHFFFAOYSA-N 313.195 1.737 10 10 DDCE CC(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1O 890758038 QKGJJBHTRHCARA-NSHDSACASA-N 314.794 1.583 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)C(F)(F)C1CCOCC1 790787803 NLADMDICLKCUFJ-UHFFFAOYSA-N 301.289 1.776 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCCCN1CCO 1325295384 GYPDYPUPHRNJQS-BRLPQQTGSA-N 320.389 1.074 10 10 DDCE Nc1nccc(C(=O)NCc2cccc(Cl)c2O)c1[N+](=O)[O-] 1180410330 NCNXSZJSDKEOIO-UHFFFAOYSA-N 322.708 1.861 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1331490831 YZIXCBZIDKOHIR-KCQAQPDRSA-N 301.390 1.232 10 10 DDCE CCO[C@@H]1CS(=O)(=O)C[C@H]1N1CCC(CN=[N+]=[N-])CC1 1912145780 LEKNNGRVCLCRKH-VXGBXAGGSA-N 302.400 1.211 10 10 DDCE C[C@@H](NC(=O)CNC(=O)NCc1ccco1)c1ccccc1O 1454806072 MAHOYOMFNDWMJS-LLVKDONJSA-N 317.345 1.662 10 10 DDCE C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCc1c(O)cccc1O 1456326616 YXVIHUOYKRLEQZ-PSLIRLAXSA-N 301.346 1.803 10 10 DDCE NC(=O)c1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 1463956188 PPQJXAGNOSRFOV-UHFFFAOYSA-N 300.314 1.056 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CC[C@H](N2CCCC2=O)C1 1611139488 ZDNHIZCVHSQBFK-VIFPVBQESA-N 308.309 1.074 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)[C@H]1CC(c2ccccn2)=NO1 1631438474 GLXFPOFBBYKCBX-OAHLLOKOSA-N 313.313 1.302 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](CO)Cc1cccnc1 1635938278 WWKNHNMJBISPJD-AWEZNQCLSA-N 316.357 1.003 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1COC[C@H]1OC 1564893862 HWUXCTLVZOKACD-JKSUJKDBSA-N 321.421 1.698 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)[C@@H](C)CC(N)=O)cc1C 1491545431 BORWNCQZPYQGAU-STQMWFEESA-N 321.421 1.109 10 10 DDCE C[C@@H]1CN(c2ccc(CO)c(Br)c2)CC(=O)N1C 1926024090 OBZXXEKIEYJUFL-SECBINFHSA-N 313.195 1.608 10 10 DDCE CN[C@@H](C)c1ccc(N2CCCS(=O)(=O)CC2)c(F)c1 234449292 YHHGJBFBMIXAHH-NSHDSACASA-N 300.399 1.731 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H](F)[C@H](O)C2)cc1Br 1944301828 QYIHKQYZOUXUJQ-CQFDHEJISA-N 303.175 1.988 10 10 DDCE CCS(=O)(=O)CCN(CCCN)c1ccc(OC)cc1 37370347 BXFRNKPAPKCJEL-UHFFFAOYSA-N 300.424 1.285 10 10 DDCE CS(=O)(=O)C1CN(c2ccc(C=CC(=O)O)c(Cl)c2)C1 2152286799 QYVKQDOFNXDFTK-UHFFFAOYSA-N 315.778 1.671 10 10 DDCE CCN[C@H](C)c1ccc(N2CC(S(C)(=O)=O)C2)c(F)c1 2152284707 MFKOJFDKMSVMAL-SNVBAGLBSA-N 300.399 1.729 10 10 DDCE C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@H](C)[C@@H]2C)c(F)c1 2170278527 TYWDYAGXJSVTNI-GARJFASQSA-N 300.399 1.857 10 10 DDCE C[C@@H](NS(=O)(=O)CCOc1ccc(N)cc1)C(F)(F)F 389304159 KLXLPUOJYBWIAO-MRVPVSSYSA-N 312.313 1.518 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@H]4OCCC[C@H]4C3)c2n1 2062546840 SFAHEGWBFFLXMY-AAEUAGOBSA-N 316.361 1.384 10 10 DDCE Oc1ccc(-n2cc(I)cn2)cc1O 2069797143 AFQFHUFNTGUFJS-UHFFFAOYSA-N 302.071 1.888 10 10 DDCE CCOc1cccc(CNCCN=[S@@](C)(=O)CC)c1O 2187308769 CNEITMRLNCEMAL-FQEVSTJZSA-N 300.424 1.998 10 10 DDCE NCc1ccc(N2CCO[C@@H]3COC[C@H]32)cc1Br 2072512468 CSXMDTSSWVNMMR-CHWSQXEVSA-N 313.195 1.512 10 10 DDCE O=C1NCC[C@H]1CCNCc1c(O)cccc1Br 2075990047 RFOIERADVYWAHL-SECBINFHSA-N 313.195 1.771 10 10 DDCE Cc1nnc2n1CCN(c1ccc(CO)c(Br)c1)C2 2113976812 CGOWOCSQDDNAEB-UHFFFAOYSA-N 323.194 1.862 10 10 DDCE O=C(N=c1[nH]c(Cl)ncc1Cl)c1cc(O)c(O)c(O)c1 2235489202 XYACWTKUEZFUSK-UHFFFAOYSA-N 316.100 1.574 10 10 DDCE CNCc1ccc(N2CC[C@@H]2[C@H](O)CO)c(Br)c1 2258346127 PBCWIBVDBJIQAC-CHWSQXEVSA-N 315.211 1.100 10 10 DDCE CC[C@@](C)(C(=N)NO)C(=O)NCc1cnc(SC)s1 2269099324 ORLVVPMDMFUZAF-NSHDSACASA-N 302.425 1.854 10 10 DDCE CSc1ncc(CNC[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2CO)s1 2269310509 HHEYSRWJTQKXKD-NNYUYHANSA-N 300.449 1.741 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CO[C@H](C)[C@@H]2C)s1 2345993725 YJVRGAUWELLREY-JOAULVNJSA-N 302.421 1.833 10 10 DDCE C[C@H](NCCNS(C)(=O)=O)c1cc2c(cc1O)CCCC2 185164879 IFZSDACZKNZYCV-NSHDSACASA-N 312.435 1.471 10 10 DDCE CC(=O)N(c1ccc(N)cc1)S(=O)(=O)c1c(C)n[nH]c1C 253463595 PJJFPHFWSMLVNP-UHFFFAOYSA-N 308.363 1.351 10 10 DDCE COc1cccc(CN2CCOC[C@@H]2c2noc(C)n2)c1O 359995721 DRLXTSUXZKYWLP-GFCCVEGCSA-N 305.334 1.666 10 10 DDCE Nc1ccc(CC(=O)NCc2nccn2CC(F)(F)F)cc1 828530668 BWWMLDZIEXKPIC-UHFFFAOYSA-N 312.295 1.887 10 10 DDCE COC[C@@](C)(O)CCN[C@@H](C)c1cc(C(=O)OC)ccc1O 834843033 GBVPZLNUNCHTDH-ZBEGNZNMSA-N 311.378 1.617 10 10 DDCE CN(C)c1ccc(/C=C\CN2CC[C@H](NS(C)(=O)=O)C2)cc1 835026900 YJPOXSTYJXVJMA-XVWMLYKFSA-N 323.462 1.389 10 10 DDCE Cn1ncc2c(O)nc(CN3CCCc4cc(CN)ccc43)nc21 843349982 GXUFIWJKMBBTGJ-UHFFFAOYSA-N 324.388 1.480 10 10 DDCE COc1ccc2c(c1)CCN2C[C@@H]1CCCN(C(=O)CN)C1 841003133 OFOIUENWRZLWJA-ZDUSSCGKSA-N 303.406 1.255 10 10 DDCE O=C(NCCCSc1nccs1)[C@@H](O)C1CCOCC1 746019892 AJVSQMAHFOYLBO-NSHDSACASA-N 316.448 1.529 10 10 DDCE COCCN1CCN(C(=O)c2cccc(O)c2O)C(C)(C)C1 846564108 VBRVOXYEQKBODG-UHFFFAOYSA-N 308.378 1.281 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC1CC(CC(N)=O)C1 925058196 SJLNUFXRQHRVOG-UHFFFAOYSA-N 318.421 1.548 10 10 DDCE Cn1ccc([C@H]2CCCN(C(=O)c3cccc(O)c3O)C2)n1 928198307 FNOWWQQNKNHQGN-NSHDSACASA-N 301.346 1.851 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@]1(C)CO 853964088 IYJDKLXMCYPIGW-PSLIRLAXSA-N 321.333 1.380 10 10 DDCE COC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCCOC1 924684179 CIKVRXQOOOQSQT-UMGRQFOVSA-N 321.373 1.669 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3nc(C)no3)C2)cc1 855224386 KHMDQASLDYXEBT-LLVKDONJSA-N 302.334 1.395 10 10 DDCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCCNC1 852868471 GHFGYOFRQFKUCR-OAHLLOKOSA-N 317.433 1.264 10 10 DDCE CC(=O)NCC(C)(C)C(=O)NCc1ccc2cccnc2c1O 862025169 NYZTTYUWDJYGCJ-UHFFFAOYSA-N 315.373 1.719 10 10 DDCE COC1=C(C(=O)O)NC(=O)N[C@H]1c1c(O)ccc2ccccc12 76256212 KHIPZVFAHTVWJL-LBPRGKRZSA-N 314.297 1.842 10 10 DDCE CN1CC[C@](O)(CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 897398051 RQMCQZNMLUAAAN-HNNXBMFYSA-N 322.386 1.109 10 10 DDCE COC(=O)CC[C@@H]1CC[C@H](C(=O)NCc2ccc(O)cc2O)O1 1142533199 GESKOTXBZMIYKI-GXTWGEPZSA-N 323.345 1.215 10 10 DDCE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN=[N+]=[N-] 1885561863 XHHFOVPMQMGKMS-RKDXNWHRSA-N 301.347 1.077 10 10 DDCE C[C@H](CNC(=O)OC(C)(C)C)[C@@H](F)C(=O)NCCN=[N+]=[N-] 1965102781 TVRGWQOANIQDQM-RKDXNWHRSA-N 303.338 1.912 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccc2c(n1)OCCO2 1455314547 GWZFSXZVDAIWKY-UHFFFAOYSA-N 302.286 1.194 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cc(Cn2cccn2)on1 1471661979 JLXIGSWFHNRLMF-UHFFFAOYSA-N 314.301 1.261 10 10 DDCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nnc2n1CCC2 1545080715 IIIVQSMPHSPPSK-SECBINFHSA-N 302.334 1.055 10 10 DDCE COc1ccc(CNC(=O)Cn2nnc3ccccc32)c(O)c1 1626079848 NCPPSDHCBRXGER-UHFFFAOYSA-N 312.329 1.462 10 10 DDCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)CCN(C)C)cc1C 1717435005 ATEAAGUZUHEQSO-HUUCEWRRSA-N 321.465 1.938 10 10 DDCE CN(C)c1ccc(CNC(=O)c2ccnc3c2CC(=O)N3)cc1 1628708098 HEBDLRPGENACJS-UHFFFAOYSA-N 310.357 1.572 10 10 DDCE O=C(CNC(=O)c1ccsc1)NCc1cc(O)ccc1O 1558175399 PBNUMJFOZARTJL-UHFFFAOYSA-N 306.343 1.206 10 10 DDCE CCCSc1nsc(NC(=O)CN2CC(N=[N+]=[N-])C2)n1 1912209055 YOBXCKJKPANJRQ-UHFFFAOYSA-N 313.412 1.973 10 10 DDCE Cc1c[nH]c(CNC(=O)/C=C\c2ccc(O)c(O)c2)c(C)c1=O 1636154088 XXZWEUODQRYFHY-XQRVVYSFSA-N 314.341 1.733 10 10 DDCE Cc1cc(CC(=O)Nn2cnnc2O)c(C)n1-c1ccccc1 1648680460 ZESLTVTVHUGMCZ-UHFFFAOYSA-N 311.345 1.704 10 10 DDCE CN(Cc1ccccc1)C(=O)c1nnn(-c2ccc(N)cc2)n1 1857878989 RERCIKZLQLCWMN-UHFFFAOYSA-N 308.345 1.517 10 10 DDCE CCN(CC)c1ccc(CNCC(=O)N(C)CCC(=O)O)cc1 1857866591 SCKGOYPPHBRMEJ-UHFFFAOYSA-N 321.421 1.556 10 10 DDCE C[C@@H](NCC(C)(C)NS(C)(=O)=O)c1cc(O)ccc1O 111772031 UKRSDVSQJYIGIS-SECBINFHSA-N 302.396 1.076 10 10 DDCE COc1cc(Cl)cc(CNC[C@H]2OCCO[C@@H]2C)c1O 2143725581 KNVKXRSFDHCACL-NOZJJQNGSA-N 301.770 1.948 10 10 DDCE NC(=O)[C@@H]1OCC[C@H]1Nc1c(N)cccc1Br 2005840542 NLALXGHWWXJAFJ-PSASIEDQSA-N 300.156 1.086 10 10 DDCE Cc1nscc1CN(C)S(=O)(=O)Cc1ccc(N)cc1 2150303671 QCISGOVQTMVZCK-UHFFFAOYSA-N 311.432 1.996 10 10 DDCE C[C@@H]1CN(S(=O)(=O)Nc2ccc(O)cc2Cl)C[C@@H](C)O1 2145851568 OHTDMIIDHPPFPN-RKDXNWHRSA-N 320.798 1.812 10 10 DDCE Cn1nnc(Br)c1CN1CCC[C@@H]1CN=[N+]=[N-] 2009445359 NTTAYZPCXJDGLC-SSDOTTSWSA-N 300.164 1.852 10 10 DDCE C[C@H](C[C@@H]1CCCS1(=O)=O)NCc1cc(F)ccc1O 2156770148 AMJREXIDFPEEHJ-MFKMUULPSA-N 301.383 1.977 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1cc(CO)cs1 2157739437 CKDCSUVTGXNENL-UHFFFAOYSA-N 313.400 1.767 10 10 DDCE CS(=O)(=O)[C@@H]1CSCCN1c1ccc2c(c1)CC[C@H]2N 2184730592 XNDXXUTYJPQXNS-ZIAGYGMSSA-N 312.460 1.557 10 10 DDCE C[C@H](N)c1cc(F)c(N2CCCS(=O)(=O)CC2)c(F)c1 2194714828 PLONCAAVSWBWKB-VIFPVBQESA-N 304.362 1.609 10 10 DDCE CSc1ncc(CNC(=O)N2CCC(CO)CC2)s1 2269097806 HPLDYNWBBAQUGG-UHFFFAOYSA-N 301.437 1.779 10 10 DDCE CSc1ncc(CNC(=O)C2(C(=N)NO)CCC2)s1 2269136582 ABWJXVWZPPRLAE-UHFFFAOYSA-N 300.409 1.608 10 10 DDCE C[C@@H](O)[C@H](C(=O)O)N1C(=O)C(=Cc2ccc[nH]2)SC1=S 2323823383 BNGIIMOYESAZRE-HZGVNTEJSA-N 312.372 1.050 10 10 DDCE CNCc1ccc(N2CCN(CCO)CC2)c(OC(C)C)c1 212111303 HAJFLXWTZWDYHK-UHFFFAOYSA-N 307.438 1.308 10 10 DDCE CCN(Cc1ccc(N)cc1)c1ccc(S(N)(=O)=O)cc1 37671629 MIFLJWJGLLIDLR-UHFFFAOYSA-N 305.403 1.943 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)[C@@H](CC(C)C)NS(C)(=O)=O 2362988286 IOPBSCNYCHSUJL-SNVBAGLBSA-N 305.404 1.109 10 10 DDCE CN(NCc1cc(OC(F)(F)F)ccc1O)S(C)(=O)=O 2365343441 ZGJGDZFDJFMNDY-UHFFFAOYSA-N 314.285 1.187 10 10 DDCE CN(C[C@H]1CCCOC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 130635821 ZLIFSCPFQKEAOD-SNVBAGLBSA-N 321.333 1.789 10 10 DDCE CCCOc1ccc(CN(CCOC)[C@H](C)C(N)=O)c(O)c1 93138962 INXFFWODPUPRNK-GFCCVEGCSA-N 310.394 1.503 10 10 DDCE C[C@H](O)CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)C1 249115842 SEQUALHKJXZPKH-VFQZCJPISA-N 320.389 1.025 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H]3OCCC[C@H]32)c1 252015016 YARCOWLEVWQIFK-GUTXKFCHSA-N 306.362 1.768 10 10 DDCE CN(C)C(=O)CCN1CCN(Cc2ccc(N(C)C)cc2)CC1 271205335 ZMAKLIHHRIWEBC-UHFFFAOYSA-N 318.465 1.349 10 10 DDCE CC(C)[C@@H](NCc1cc(Br)cc(F)c1O)C(N)=O 715744988 LQMHNSZIJRFUMM-SNVBAGLBSA-N 319.174 1.893 10 10 DDCE Oc1ccc([C@@H](C2CCOCC2)N2CCNCC2)c(O)c1O 575268812 DOZBCKFQELPGFH-CQSZACIVSA-N 308.378 1.176 10 10 DDCE CN1CCN(c2ccc(CN3CCC4(COC4)C3)cc2)CC1 827646032 YMMCQFBCEDDCAO-UHFFFAOYSA-N 301.434 1.661 10 10 DDCE CN1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)CCC1=O 845005650 ZNGSOANCQPEMEX-LLVKDONJSA-N 311.769 1.466 10 10 DDCE Cc1cc(CN2C[C@H](C)N(CCO)C[C@H]2C)ccc1N(C)C 842162372 HUXABDIZYSERHO-JKSUJKDBSA-N 305.466 1.948 10 10 DDCE C[C@@H]1COCC[C@H]1S(=O)(=O)NCc1c(O)cccc1F 921452337 LZJBIKPHBVTOJU-NOZJJQNGSA-N 303.355 1.376 10 10 DDCE C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C)C1O 852503908 VDOSNPUOQXMOBS-ZIAGYGMSSA-N 319.449 1.318 10 10 DDCE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 850749753 FRLOTPYWXPDQJY-CYBMUJFWSA-N 305.382 1.488 10 10 DDCE COc1ccc(N(C)CC2CN(S(C)(=O)=O)C2)cc1Cl 929829786 VOZVOKOLUSTTDU-UHFFFAOYSA-N 318.826 1.676 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@@](C)(CO)CC(=O)O)cc1 1119615052 DPVSSBHGVYIKBX-BDUNBXCCSA-N 306.406 1.829 10 10 DDCE COc1ccc(N2CCN(C[C@@H](O)CCOC(C)C)CC2)cc1 788066226 CCXXGQHEBSSVSM-KRWDZBQOSA-N 322.449 1.993 10 10 DDCE CC1(F)CN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 792051126 LTTXIOVFNYLWIF-UHFFFAOYSA-N 307.369 1.777 10 10 DDCE Cc1nc(NCc2ccc(N3CCOCC3)c(F)c2)nn1C 793266408 NYLFQTKDDFSLLJ-UHFFFAOYSA-N 305.357 1.711 10 10 DDCE O=C(NCc1cccc(O)c1O)c1c(F)ccc2c1OCO2 1303194968 NJWCRBYVQXUVDC-UHFFFAOYSA-N 305.261 1.896 10 10 DDCE O=S(=O)(NCCNCc1ccc(Cl)cc1O)C1CC1 1964609483 GEDKBDVYLXEVHP-UHFFFAOYSA-N 304.799 1.217 10 10 DDCE CC(C)(C)OC(=O)N1CC(CCO)(NCc2ccccc2O)C1 398197174 OJIXYDLMQUJKMM-UHFFFAOYSA-N 322.405 1.854 10 10 DDCE CN1CCN(c2ccc(CN)cc2Br)[C@H](CO)C1 699480012 UVXIKOPNADRZNP-NSHDSACASA-N 314.227 1.021 10 10 DDCE CCc1nn(C)c(OC)c1CNC(=O)Cc1ccc(O)c(O)c1 1446903385 HLKBOKLBUOGSKB-UHFFFAOYSA-N 319.361 1.261 10 10 DDCE Cc1ccc(O)c(CNC(=O)Cc2ccc(-n3cnnn3)cc2)c1 1453651847 QCYCHVHACRBYAP-UHFFFAOYSA-N 323.356 1.535 10 10 DDCE C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1c(O)cccc1O 1456326618 YXVIHUOYKRLEQZ-RFAUZJTJSA-N 301.346 1.803 10 10 DDCE Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)ncc1C(N)=O 1531320503 FLOANEJENQUWFZ-UHFFFAOYSA-N 312.373 1.485 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1cc(O)nc(S)n1 1469719428 IWTHAUXMRJJWEV-DUXPYHPUSA-N 319.342 1.212 10 10 DDCE C[C@@H](CC(N)=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 1540709582 WOQIGQGJKDVIBH-LBPRGKRZSA-N 303.406 1.755 10 10 DDCE O=C(Cn1c(=O)cnc2ccccc21)N1Cc2cccc(O)c2C1 1471355792 VMRZGXOTITZWJW-UHFFFAOYSA-N 321.336 1.645 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)N1CCC(N=[N+]=[N-])CC1 1912170314 VPUTYINCTCFKER-UHFFFAOYSA-N 304.763 1.537 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)[C@H]2CCCOC2)cc1 1639147833 NQXYTZAMFBBRBY-WCQYABFASA-N 320.349 1.366 10 10 DDCE CN1C(=O)Cc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc21 1634751458 JMECDVRCRPNTSI-UHFFFAOYSA-N 312.325 1.798 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cc2c(cn1)OCCC2 1652625942 OQBHWUJTOXOLDA-UHFFFAOYSA-N 300.314 1.748 10 10 DDCE O=C(CSc1nc(O)c2nc[nH]c2n1)c1ccc(O)c(O)c1 16496832 CEQNINHUMBEBQU-UHFFFAOYSA-N 318.314 1.445 10 10 DDCE N[C@H]1CCc2cc(O)c(O)c(O)c2-c2ccc(=O)c(O)cc21 31997732 MNJZTCDGAVEFIT-JTQLQIEISA-N 301.298 1.482 10 10 DDCE in-vitro Oc1c(Br)cc(Cl)cc1CNN1CCNCC1 1941831159 GUUQLBVPFOEPOH-UHFFFAOYSA-N 320.618 1.718 10 10 DDCE CN(C(=O)CN(CCO)C(=O)OC(C)(C)C)c1ccc(N)cc1 1993292343 UGTBIKPVSGVLTR-UHFFFAOYSA-N 323.393 1.461 10 10 DDCE CSCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H]1CN=[N+]=[N-] 701264648 VLVVCAAWNFJTSB-DTWKUNHWSA-N 300.388 1.078 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N(C)CC[S@](C)=O)c(Cl)cc21 399012940 JOJSPKWAXUWJTG-YUNKPMOVSA-N 315.826 1.367 10 10 DDCE Oc1cc(Br)ccc1CN1CCN[C@@H]2COC[C@H]21 2068834521 XPJOVTVKVQNMBT-VXGBXAGGSA-N 313.195 1.327 10 10 DDCE Nc1ccc(NC(=O)CCN2CC[C@@H](C3OCCO3)C2)cc1 2089607982 AYTZMVJCHQNZEW-GFCCVEGCSA-N 305.378 1.292 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H](C)N[C@H](C)C2)s1 2269273264 MTMATXQSEQHVMU-RKDXNWHRSA-N 300.453 1.757 10 10 DDCE COc1ccc(N2C[C@@H](O)[C@H](F)C2)c(OC)c1Br 2219381529 KMSLFJKECIHWHJ-VXNVDRBHSA-N 320.158 1.985 10 10 DDCE COc1cc(OC)c(N2C[C@H](OC)C[C@H]2CN)cc1Cl 2285851418 QLMRPPWLCPYYLL-VHSXEESVSA-N 300.786 1.910 10 10 DDCE COc1cc(OC)c(N2CCO[C@H]([C@H](C)N)C2)cc1Cl 2285857295 QFHDWIOSVWRVKX-XPTSAGLGSA-N 300.786 1.910 10 10 DDCE CCOc1ccc(NC=C2C(=O)NC(=S)N(CC)C2=O)cc1 2297365369 RYWNTHIGYIICJA-UHFFFAOYSA-N 319.386 1.644 10 10 DDCE Cc1sc(NN(C)S(C)(=O)=O)nc1CCCC(=O)O 2339779521 OCBRRBGIUFLNJN-UHFFFAOYSA-N 307.397 1.077 10 10 DDCE CC(=O)c1cc(F)cc(CN2CC[C@H](N3CCOCC3)C2)c1O 170812331 NQTMIHZTDURHEZ-HNNXBMFYSA-N 322.380 1.640 10 10 DDCE CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1C[C@@H](C)O 120754282 CRBJIWCJGZSTSJ-TZMCWYRMSA-N 322.405 1.398 10 10 DDCE C[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(N2CCOCC2)cc1 180485435 MAOUAZCMJXDKIR-MAUKXSAKSA-N 319.449 1.504 10 10 DDCE CCNC(=O)N1CC[C@H](N[C@@H](C)c2cc(OC)ccc2O)C1 186109623 WYWTXATZNCMLAV-RYUDHWBXSA-N 307.394 1.855 10 10 DDCE CN(c1ccc(CN)cc1F)[C@H]1CC[C@H](S(C)(=O)=O)C1 2361666653 IBJJZEZOKAQHCJ-RYUDHWBXSA-N 300.399 1.686 10 10 DDCE CCc1ncc(S(=O)(=O)NCc2ccc(N(C)C)cc2)[nH]1 70421877 CWFTZOJTNXPXPS-UHFFFAOYSA-N 308.407 1.517 10 10 DDCE CO[C@H](CCS(C)(=O)=O)CNCc1cccc(C)c1O 2364221954 ZYOFWVUVWXMQFP-CYBMUJFWSA-N 301.408 1.240 10 10 DDCE CCn1cnnc1[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 187079442 CHHUIELGVOQQCT-LLVKDONJSA-N 316.361 1.729 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)Cc1cccc(N)c1 40335353 KVPYZCNORKERPV-UHFFFAOYSA-N 306.387 1.936 10 10 DDCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccnc(Cl)n1 227976489 BUHVYURRBNTXHQ-QMMMGPOBSA-N 308.725 1.050 10 10 DDCE COC(=O)[C@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@H](C)O1 191445223 CUAMFHAEWSOAEW-PRHODGIISA-N 317.744 1.947 10 10 DDCE Cc1ccc(C(=O)N2CCc3ccnc(O)c3C2)c(O)c1O 277916756 SIOIOJJHYMCDRL-UHFFFAOYSA-N 300.314 1.705 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 808533528 PNYQYENBEINJHG-ZETCQYMHSA-N 318.251 1.235 10 10 DDCE Oc1cc2c(cc1CN1CCC(N3CC[C@@H](O)C3)CC1)OCO2 827699094 DYTUWNAXTPZJLM-CQSZACIVSA-N 320.389 1.152 10 10 DDCE CC1(F)CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 823530201 COBUCVDWJIDNEH-UHFFFAOYSA-N 321.396 1.901 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nnn(C(C)(C)C)n1 831925251 UQMWKTXEHHNZKN-SECBINFHSA-N 319.365 1.200 10 10 DDCE CN(C)Cc1ccc(C(=O)NCc2c(O)cccc2F)cn1 928709011 VRKSADXJSLLKDP-UHFFFAOYSA-N 303.337 1.918 10 10 DDCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)NCc5c(O)cccc5F)[C@@H]4[C@H]3[C@@H]12 928708993 UTYINOFYMTZBGV-PDLVNSLMSA-N 313.328 1.475 10 10 DDCE COC(=O)c1cnc(CN(C)c2ccc(OC)c(OC)c2)cn1 859091209 GEHLISXLSAIKEK-UHFFFAOYSA-N 317.345 1.917 10 10 DDCE COC1(CS(=O)(=O)NCc2ccc(O)cc2O)CCC1 867416865 IDFITVJDNHBEBD-UHFFFAOYSA-N 301.364 1.086 10 10 DDCE C[C@H](NC(=O)NCCN1CCOC(C)(C)C1)c1ccccc1O 868369762 ZDLYMWDTWSYTLY-ZDUSSCGKSA-N 321.421 1.863 10 10 DDCE COC(=O)C(C)(C)N1CCN(Cc2c(O)cccc2OC)CC1 779191774 UPSZBSGGUBCAPA-UHFFFAOYSA-N 322.405 1.470 10 10 DDCE Cc1cc(C(=O)NC[C@H](O)[C@@H](C)O)c(C)n1-c1ccc(F)cc1 871122782 OHMHOJDHVBXVHU-WBMJQRKESA-N 320.364 1.705 10 10 DDCE CCc1cccc(CNCC2(S(=O)(=O)N(C)C)CC2)c1O 895810589 QPGBITQGLSTNAG-UHFFFAOYSA-N 312.435 1.468 10 10 DDCE O=S1(=O)C=C[C@@H](NCc2cccc(Br)c2O)C1 88854142 ZUPIASFJNDEUIJ-SECBINFHSA-N 318.192 1.555 10 10 DDCE O=S1(=O)CCN(c2ccc(CNCC3(F)CC3)cc2)CC1 792978087 QUYHOSFWQJLWKB-UHFFFAOYSA-N 312.410 1.513 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@H]1CC(c2cccnc2)=NO1 1142534080 ZDPVZDIRKCIMDO-OAHLLOKOSA-N 313.313 1.302 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cnc3cccnn23)cc1F 1142565736 IHQNWIAOXXZNNY-UHFFFAOYSA-N 313.336 1.864 10 10 DDCE O=C(NCc1c(O)cccc1O)c1sccc1-n1cnnn1 1156881219 UYLCZDBPCFCSPE-UHFFFAOYSA-N 317.330 1.065 10 10 DDCE O=C(NCc1c(O)cccc1F)NCc1nnc(O)n1C1CC1 1313200492 STDZCNIKXGCPKQ-UHFFFAOYSA-N 321.312 1.163 10 10 DDCE NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(O)cs1)CC2 1443861856 AFSDDEVXFVCCBN-UHFFFAOYSA-N 324.383 1.304 10 10 DDCE COc1ccc(CNC(=O)c2cc3n(n2)CCC[C@H]3O)c(O)c1 1296968437 NLMODOPOIOPBQQ-CQSZACIVSA-N 317.345 1.355 10 10 DDCE CNC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)c(C)c1 1464186324 XPUZRJCPDYXQPM-UHFFFAOYSA-N 314.341 1.947 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)C2(C)CC2)cc1C 1700790137 BPUQIYMXIVFTSE-CQSZACIVSA-N 306.406 1.370 10 10 DDCE C[C@H](NCC(C)(C)NS(C)(=O)=O)c1ccc(O)cc1O 111772037 SRMJXTYTEPZJSH-VIFPVBQESA-N 302.396 1.076 10 10 DDCE NC(=O)c1ccc(/C=C/C(=O)NCc2cc(O)ccc2O)o1 1558175602 XFIBPBARWFNZKY-ZZXKWVIFSA-N 302.286 1.119 10 10 DDCE CCOC(=O)N[C@H](C(=O)NCc1ccc(O)cc1O)C(C)C 1557084476 AOQHKJUXCSDZAU-ZDUSSCGKSA-N 310.350 1.485 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2[nH]nnc2C)cc1C 1715987523 OIBKTGJJWWQGME-NSHDSACASA-N 317.393 1.338 10 10 DDCE CC(=O)C[C@H]1COCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1633887554 FZBHLAIKVVJQPT-ZDUSSCGKSA-N 318.333 1.669 10 10 DDCE Cc1cc(C=O)c(O)c(C(=O)NCc2ccc(O)cc2O)c1 1570463413 PABPFIJJYDZXNG-UHFFFAOYSA-N 301.298 1.854 10 10 DDCE COc1ccc(CNC/C=C/CNC(=O)c2nc[nH]n2)cc1C 1669097080 OUIFRPUYPXIVGY-ONEGZZNKSA-N 315.377 1.198 10 10 DDCE Nc1ccc(C2=NCCN2C(=O)c2cc(O)c(O)c(O)c2)cc1 1866303100 LHXZIKBVVXHKJU-UHFFFAOYSA-N 313.313 1.288 10 10 DDCE CN(C)c1ccc(CNCC(=O)N2CCCC[C@@H]2CCO)cc1 1857865671 YVKJIRJCDJPVMO-QGZVFWFLSA-N 319.449 1.606 10 10 DDCE CCS(=O)(=O)N(C)Nc1nc(Br)cs1 1888571778 MMZGOYFFLWXUFY-UHFFFAOYSA-N 300.203 1.514 10 10 DDCE Oc1cc(Br)ccc1CNC[C@@H]1C[C@H](O)CCO1 2036683852 UOUNDKLAONYEAF-NEPJUHHUSA-N 316.195 1.784 10 10 DDCE N[C@@H]1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1 2048478335 SVYXHSWUIAHTCM-OAHLLOKOSA-N 301.390 1.096 10 10 DDCE O=C1NCC[C@H]1NCc1cc(Br)cc(F)c1O 715818751 RBXJNBXCZCPFCN-SECBINFHSA-N 303.131 1.272 10 10 DDCE CC(C)OC(=O)NS(=O)(=O)N(C)Cc1ccccc1O 394901184 OIXXBUMLNAMERD-UHFFFAOYSA-N 302.352 1.203 10 10 DDCE CCOC(=O)CCCS(=O)(=O)N1CCC(N=[N+]=[N-])CC1 2178730220 WEIKXANNENGYKR-UHFFFAOYSA-N 304.372 1.434 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCCOCC2)s1 2347636292 WAHKHWAQRRBMGB-LBPRGKRZSA-N 302.421 1.979 10 10 DDCE Cc1[nH]ncc1CCCNS(=O)(=O)Cc1ccc(N)cc1 50182545 LZPGLSQRTRXRJH-UHFFFAOYSA-N 308.407 1.353 10 10 DDCE CC(C)N(Cc1ccc(N)cc1)S(=O)(=O)C[C@H]1CCCO1 63155135 RQHGRKOMMUQULO-OAHLLOKOSA-N 312.435 1.988 10 10 DDCE CC(C)CNCc1ccc(N2CCS(=O)(=O)CC2)c(F)c1 62736107 CETSONWBSZDVOB-UHFFFAOYSA-N 314.426 1.806 10 10 DDCE O=C(O)c1ccc(/C=C2/SC(=S)N(CCO)C2=O)cc1 210386727 PJLIQSCUVXKDCP-JXMROGBWSA-N 309.368 1.578 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@](O)(C(F)(F)F)C1 181115148 CQYYMJDPIZDWSM-OHVSUOQFSA-N 317.263 1.637 10 10 DDCE COc1ccc(OC)c([C@H]2N[C@@H](C(=O)O)C(C)(C)S2)c1O 83236994 AWWUHEQRGPWVNR-RYUDHWBXSA-N 313.375 1.976 10 10 DDCE O=C1NC(=O)[C@@H]2[C@@H]1ON(Cc1ccccc1)[C@H]2c1ccccc1O 248073042 YTNXKGBJVHRFBR-JYJNAYRXSA-N 324.336 1.522 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc(O)nn2)c(O)c1O 530080602 SWFGBKWRLDDNIZ-GFCCVEGCSA-N 315.329 1.879 10 10 DDCE CNC(=O)NC[C@@H]1CN(Cc2cc(C)cc(C)c2O)CCO1 530104347 OBOLBCIQWFRYTJ-CQSZACIVSA-N 307.394 1.139 10 10 DDCE COc1cccc(CNC(=O)NCCCN2CCCC2=O)c1O 266318614 RHWRIKWULVXDNA-UHFFFAOYSA-N 321.377 1.213 10 10 DDCE C[C@@H]1CC[C@H](O)CN1CC(=O)NCc1ccc(N(C)C)cc1 817289106 SNELIURGQWOKIJ-CJNGLKHVSA-N 305.422 1.214 10 10 DDCE CN1CC2(CN(C/C=C/c3ccc(N(C)C)cc3)C2)OC1=O 817414431 KHNORQLTEQIQNY-SNAWJCMRSA-N 301.390 1.902 10 10 DDCE CO[C@]1(CN[C@@H](C)c2c(O)cccc2F)CCS(=O)(=O)C1 903363622 PRVVCGKVEIBAJD-HZMBPMFUSA-N 317.382 1.386 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2c([nH]1)CCOC2 837520706 OGXPDHLBSJSCGK-JTQLQIEISA-N 316.357 1.860 10 10 DDCE CC(=O)C(=O)COC(=O)c1nc(C)ccc1Br 924027135 NXZRJQDNCGJAGY-UHFFFAOYSA-N 300.108 1.467 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)[C@H](C)N)C2)cc1 851666480 HIFVPBGNYLTQHA-AVGNSLFASA-N 306.410 1.309 10 10 DDCE CC(=O)N1CCC[C@H](CNC(=O)NCc2c(O)cccc2F)C1 922287789 IUHLGALPFCLPJB-GFCCVEGCSA-N 323.368 1.589 10 10 DDCE CCC[C@@H](O)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855234313 XAKXDAZNMVXVJR-DZGCQCFKSA-N 306.406 1.941 10 10 DDCE CCn1cnc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 855223867 CJHJHXDYNDKIMZ-CYBMUJFWSA-N 314.389 1.920 10 10 DDCE CN(C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)c1cnn(C)c1 859541626 JPDWCVLPAVUVAW-LBPRGKRZSA-N 320.393 1.996 10 10 DDCE CCCC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855228465 AURRIYAFMCJFSS-CYBMUJFWSA-N 319.405 1.306 10 10 DDCE COC(=O)c1cc(OCc2nnnn2C2CC2)ccc1N(C)C 865396051 IESAQRRYIMOABX-UHFFFAOYSA-N 317.349 1.440 10 10 DDCE COc1cc(O)c(CN2C[C@@H]3[C@H]4CC[C@@H](NC4)[C@H]3C2)cc1OC 863653450 JYZQGBKBNXMAMV-PMOUVXMZSA-N 318.417 1.839 10 10 DDCE CCOc1cccc(CN2CCC[C@@H]2CS(N)(=O)=O)c1O 769427119 GSEFHFXYVSVPIO-GFCCVEGCSA-N 314.407 1.044 10 10 DDCE CC(C)(C)OC(=O)N[C@@]1(c2c(O)cccc2O)C[C@@H]1C(=O)O 1952760611 GTZQMBNPDYEHFM-GLEZIHRCSA-N 309.318 1.922 10 10 DDCE CN(C)c1ccc(CNC(=O)C2(N3CCOCC3)CCC2)cc1 770468844 BQUFGCDOVCGWRZ-UHFFFAOYSA-N 317.433 1.624 10 10 DDCE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)c1cc(O)cs1 882563567 HLIDIBSCDPJICW-ZCFIWIBFSA-N 305.224 1.742 10 10 DDCE COC[C@@](C)(CCO)NCc1cc(Cl)cc(OC)c1O 184709823 YBDCJEODCBILGF-CQSZACIVSA-N 303.786 1.931 10 10 DDCE Oc1ccc(CNCc2c(O)cccc2Br)nn1 706842466 QPVDYHZEBZBBNW-UHFFFAOYSA-N 310.151 1.940 10 10 DDCE CNCc1ccc(N(C)[C@@H]2COC[C@@H]2O)cc1Br 708074460 CRORVBASCABPTN-OLZOCXBDSA-N 315.211 1.364 10 10 DDCE CC1(C)C[C@@]1(C)CNC(=O)C(=O)N1Cc2cccc(O)c2C1 1331813612 YFRFVGCWBPICJA-KRWDZBQOSA-N 302.374 1.787 10 10 DDCE CCOC(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)o1 1445188055 NBCQXRKMYOTWDJ-UHFFFAOYSA-N 319.313 1.726 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(OCCO)nc1 1456425031 MONPYTFPTVKMNT-UHFFFAOYSA-N 304.302 1.045 10 10 DDCE C[C@@H](NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1)c1ccccc1O 1471195901 QLQQZRDZDHPRHL-GAJTVXKRSA-N 302.334 1.171 10 10 DDCE COc1ccc(CNC(=O)/C=C/c2ccc(C(N)=O)o2)c(O)c1 1617752422 BPEWJIIFBCDUHC-FNORWQNLSA-N 316.313 1.422 10 10 DDCE CCCS(=O)(=O)CC(=O)C(=O)CC(C)(C)CC(=O)OCC 1636058592 JATMHXUMXCQWBF-UHFFFAOYSA-N 320.407 1.319 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)c2cc[nH]c2)cc1C 1667826059 FICMPMXJXFLODJ-OAHLLOKOSA-N 317.389 1.212 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NCc1ccc(O)c(O)c1O 232496001 NHLUPMPZCPFAJP-NXEZZACHSA-N 310.350 1.559 10 10 DDCE Cn1cc(CCNCc2cccc(Br)c2O)nn1 1967725988 UWEYFFKHTJRVFY-UHFFFAOYSA-N 311.183 1.616 10 10 DDCE OC[C@@H]1CO[C@@H](CNCc2cc(Br)ccc2O)C1 1967894533 DFVOLAJRJKBMQC-BXKDBHETSA-N 316.195 1.642 10 10 DDCE CS(=O)(=O)C[C@H]1CCN(c2c(F)cc(CO)cc2F)C1 2143671903 LNGGIJHPGAFCAF-VIFPVBQESA-N 305.346 1.328 10 10 DDCE O=S1(=O)C[C@H]2C[C@H](NCc3cccc(Cl)c3O)C[C@H]2C1 1974483013 GSVZJCOMXBQCLD-GDNZZTSVSA-N 315.822 1.958 10 10 DDCE CN(C(=O)Cc1ccc(N)cc1)C1CN(C(=O)OC(C)(C)C)C1 1977939325 WNCNZEXGPYHMSB-UHFFFAOYSA-N 319.405 1.889 10 10 DDCE CN(Cc1csnn1)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 2150285297 XJTVSEZLGFFAQW-LLVKDONJSA-N 309.782 1.780 10 10 DDCE Nc1ccc(OCCNS(=O)(=O)[C@H]2CCC[C@H]2F)cc1 2175510376 WMDKIKWMFVEUBA-OLZOCXBDSA-N 302.371 1.458 10 10 DDCE CCCN(CCS(C)(=O)=O)Cc1ccc(OC)cc1O 2170133180 SMFIRDYXZPFMAS-UHFFFAOYSA-N 301.408 1.657 10 10 DDCE C[C@H](O)c1ccc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)c(F)c1 2170330519 QBZGBLBKUJGVAP-OUAUKWLOSA-N 301.383 1.891 10 10 DDCE OCc1ccc(N2C[C@@H](F)[C@H](CO)C2)c(Br)c1 1907652377 FKKLISUKVFNSIV-GXSJLCMTSA-N 304.159 1.708 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@H](O)[C@@H](O)C2)c(Br)c1 2068407591 SUONMUHHRJQLDK-HJIKLVIJSA-N 316.195 1.434 10 10 DDCE Cc1ccc(CN[C@@H]2CCOC[C@@H]2N)c(O)c1Br 2327798362 GMPOUJLTMGXLDY-WDEREUQCSA-N 315.211 1.669 10 10 DDCE CSc1ncc(CN[C@@H]2CCC[C@@H]2S(C)(=O)=O)s1 2257106807 OZLIKNZLHVXXRW-ZJUUUORDSA-N 306.478 1.920 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@@H]2CCCC[C@H]2N)s1 2269097220 BMVXJEGEYGPKBU-NXEZZACHSA-N 321.493 1.554 10 10 DDCE CC[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1O 400051574 VAAGZUSFEJACSZ-PELKAZGASA-N 307.306 1.133 10 10 DDCE COC[C@@]1(C(=O)N2CCOc3cc(N(C)C)ccc32)CCOC1 410534144 LMQLUHNXSBRHFA-KRWDZBQOSA-N 320.389 1.531 10 10 DDCE OC[C@@H]1CC(F)(F)CN1Cc1ccc(N2CCOCC2)cc1 364846343 TWNGPTWCYKMEQF-HNNXBMFYSA-N 312.360 1.725 10 10 DDCE CC(=O)CCc1ccc(O[C@@H](C)C(=O)OCC(=O)C(C)=O)cc1 808508587 IUWXLIBRLQGWES-ZDUSSCGKSA-N 320.341 1.677 10 10 DDCE CNC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 588404756 FQWASGDLEKOYTB-VFFGBVLKSA-N 304.346 1.238 10 10 DDCE CC(C)(C)[S@@](=O)CCNC(=O)/C=C\c1ccc(O)c(O)c1 588405185 SIRXWUYXQUXRMC-JKTFDMFLSA-N 311.403 1.774 10 10 DDCE C[C@H]1[C@H](NCc2ccc(N3CCC(O)CC3)cc2)CCN1C 922554588 GJGKCWQNSLQMML-KBXCAEBGSA-N 303.450 1.830 10 10 DDCE COc1ccc(CNC(=O)NCCO[C@H]2CC2(F)F)c(O)c1 852528205 QRCABGXJNSVDLD-LBPRGKRZSA-N 316.304 1.624 10 10 DDCE CCOC(=O)CN(CCOC(F)F)Cc1ccccc1O 852191270 FRBAUQWAHRUGSZ-UHFFFAOYSA-N 303.305 1.997 10 10 DDCE Cc1cc(CC(=O)NCC(=O)N(C)C)c(C)n1-c1ccccc1 854290095 RZGOJUWVHPZMSR-UHFFFAOYSA-N 313.401 1.841 10 10 DDCE C[C@@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1O 858489212 WMNMVPARMOWPEH-CHWSQXEVSA-N 324.388 1.759 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1cccc2c1OCO2 1136366788 XMSWFBMLOJNLQJ-UHFFFAOYSA-N 301.298 1.685 10 10 DDCE CN(C)S(=O)(=O)NCc1cc(Br)ccc1O 796191332 KVFOVFCWVKQSKZ-UHFFFAOYSA-N 309.185 1.051 10 10 DDCE CC(C)(C)C(=O)NCCCC(=O)NCc1c(O)cccc1O 1156880997 LDMAJTWAPXADFN-UHFFFAOYSA-N 308.378 1.657 10 10 DDCE CC[C@H](NCCNS(=O)(=O)C(F)F)c1ccccc1O 1964515738 REPABZDXTUAGRI-JTQLQIEISA-N 308.350 1.575 10 10 DDCE O=C(c1cn(Cc2ccccn2)nn1)N1Cc2cccc(O)c2C1 1175029354 BZLPTOPHQQYSAD-UHFFFAOYSA-N 321.340 1.583 10 10 DDCE CO[C@H]1CC[C@H](C)N(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1348678494 RRZSREUDVFABNO-AAEUAGOBSA-N 318.373 1.260 10 10 DDCE CC[C@](NC(=O)c1ccc(N=NC(N)=O)cc1)(C(N)=O)C(C)C 1466780331 OJOLIJLEJXXWOS-OAHLLOKOSA-N 319.365 1.869 10 10 DDCE C[C@@H](NC(=O)NCc1c(O)cccc1F)c1nnnn1C1CC1 1471128599 OQRDKIFJHCFFLP-MRVPVSSYSA-N 320.328 1.413 10 10 DDCE COc1ccnc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c1F 1629642566 IFXYDUBVKOFFAX-HYXAFXHYSA-N 318.304 1.970 10 10 DDCE COc1ccc(N(C)CCN(C)CCN2CCOC[C@H]2C)cc1 1559966813 LXCNTFNCCHEOJP-MRXNPFEDSA-N 321.465 1.784 10 10 DDCE CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1cccc(O)c1O 1635970616 GCGMZTSYGLKYGZ-SNVBAGLBSA-N 313.375 1.137 10 10 DDCE CC(=O)c1cccc(OCC(=O)NCc2ccc(O)cc2O)c1 1639441213 MPQOPGXDOUGADT-UHFFFAOYSA-N 315.325 1.996 10 10 DDCE Nc1ccc(O)c(CNS(=O)(=O)C2CC(C(F)F)C2)c1 1912701142 CUOPGZMUDMRLSI-UHFFFAOYSA-N 306.334 1.438 10 10 DDCE COc1cc2c(c(OC)c1O)C(=O)c1cccc(O)c1C2=O 14725213 NZNMYTVRNRXVOA-UHFFFAOYSA-N 300.266 1.890 10 10 DDCE Cc1ccc(NCc2ccc(O)c(O)c2)cc1S(N)(=O)=O 19232281 MLSAJOGOSMSGGC-UHFFFAOYSA-N 308.359 1.666 10 10 DDCE CCCNCc1cc(F)c(N(CCO)CCOC)c(F)c1 164424541 XHUBVJORXKDQMP-UHFFFAOYSA-N 302.365 1.910 10 10 DDCE C[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](N)c1ccccc1O 1920129881 IKYSGXKGPJDQFA-LERXQTSPSA-N 310.394 1.914 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H](F)CO 1952376934 VJNCVUUFSILTMJ-GHMZBOCLSA-N 315.341 1.864 10 10 DDCE CC(C)(C)OC(=O)NCCC(=O)[C@H](N)Cc1ccc(O)c(O)c1 1952679568 DJJQCUAZVZXAJR-LLVKDONJSA-N 324.377 1.452 10 10 DDCE CC1(C)CN(S(=O)(=O)Cc2ccc(N)cc2)CCS1 158545785 ZBAWVFXSDHOGJP-UHFFFAOYSA-N 300.449 1.926 10 10 DDCE NCc1ccc(N2CCN3C(=O)CC[C@H]3C2)c(Br)c1 168393871 UDZKNQYPZOGSCS-NSHDSACASA-N 324.222 1.719 10 10 DDCE CN(Cc1ccc(N)cc1)Cc1c(Br)nnn1C 2029263746 WCPYWWUCRPAIPM-UHFFFAOYSA-N 310.199 1.792 10 10 DDCE COc1ccc(CN(C)[C@@H](C)CCS(C)(=O)=O)c(O)c1 2160748212 LHIDYHITCKJJPU-NSHDSACASA-N 301.408 1.656 10 10 DDCE CNCc1ccc(N(C)CC(C)(C)S(C)(=O)=O)c(F)c1 713962725 BPWXSTQDRRXYEQ-UHFFFAOYSA-N 302.415 1.805 10 10 DDCE CO[C@H]1C[C@@H](O)CN(c2ccc(CO)c(Br)c2)C1 2046670605 AQOCXEBWXVKLPZ-NEPJUHHUSA-N 316.195 1.527 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](COc2nnc(=N)[nH]n2)C1 2210658877 VRMSWVRXAQTLNN-ZJUUUORDSA-N 324.385 1.141 10 10 DDCE C[C@H](N)c1ccc(N2CC(=O)N[C@H]3CC[C@@H]32)cc1Br 2112059442 YBMHDUFTIZFIBG-HJIKLVIJSA-N 324.222 1.936 10 10 DDCE CC[C@H](O)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1 2206686441 GYLZWTFTDATVAU-LBPRGKRZSA-N 305.346 1.956 10 10 DDCE NC(=O)CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S 2297313699 UVAVPISEOFRPJN-UHFFFAOYSA-N 310.375 1.902 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1CO 2310343506 BNVAVRBCKNCYDO-QGZVFWFLSA-N 316.401 1.520 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)COCC2(F)F)s1 2350347355 GAYUKHOELZLTSJ-SECBINFHSA-N 310.347 1.444 10 10 DDCE COC(=O)c1c(NC(=O)[C@@H]2CNC(=O)C2)sc2c1CCC2 112576778 MRMPHHKLYJKYLX-ZETCQYMHSA-N 308.359 1.098 10 10 DDCE Cc1ccc(Cn2ncnc2I)c(O)c1 2070049172 VAJMZXBLSZKQSP-UHFFFAOYSA-N 315.114 1.945 10 10 DDCE CN1C[C@H](NCc2cc(Br)ccc2O)CCC1=O 119936802 WCOFALOWMOHFOS-LLVKDONJSA-N 313.195 1.865 10 10 DDCE CN1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1=O 128676988 WWXQYWDZZTZKPT-AWEZNQCLSA-N 318.421 1.515 10 10 DDCE CC[C@@H]1CN(C(=O)c2cccc(O)c2O)CCN1C[C@@H](C)O 193152465 KKGGDLIBISGYMY-VXGBXAGGSA-N 308.378 1.015 10 10 DDCE CCCN(Cc1ccc(N)cc1)C(=O)[C@H]1CCS(=O)(=O)C1 86018657 BXCIMLCHUDBVRZ-ZDUSSCGKSA-N 310.419 1.442 10 10 DDCE COc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1Cl 243385679 MJFNTXGXZMVKBF-UHFFFAOYSA-N 304.799 1.430 10 10 DDCE COc1ccc(N2CCN(C(=O)CCNC(C)C)CC2)cc1 242764571 DOIDEEHNBRPKTG-UHFFFAOYSA-N 305.422 1.732 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 255128608 UGEFCOGRFOUGSI-HWPRWLFBSA-N 319.317 1.235 10 10 DDCE Cn1cc([C@@H]2C[C@H]2C(=O)NCCc2ccc(O)c(O)c2)cn1 367109162 HUFAEJGVTHFYQQ-QWHCGFSZSA-N 301.346 1.294 10 10 DDCE COC[C@@](C)(CCO)NCc1ccc([N+](=O)[O-])c(OC)c1O 278548871 YSZXTDRGYUBYFR-CQSZACIVSA-N 314.338 1.186 10 10 DDCE CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1O 293901426 LDRGIGBEGMAIGC-TZMCWYRMSA-N 301.383 1.977 10 10 DDCE COc1ccc(N2CC[C@H](CNC[C@@H](O)COC(C)C)C2)cc1 819381305 XVLWGMCYLRNOAS-NVXWUHKLSA-N 322.449 1.897 10 10 DDCE CN1C(=O)C(=Cc2cn(C)nc2C2CCCC2)C(=O)N(C)C1=O 901416250 FKAHHBYNMUIDKV-UHFFFAOYSA-N 316.361 1.512 10 10 DDCE CNC(=O)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835026834 XRKMPPHNVGYKCI-PLNGDYQASA-N 302.422 1.723 10 10 DDCE O=C(C1CC1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 915837645 FPDOOZURLZKOEF-UHFFFAOYSA-N 300.402 1.935 10 10 DDCE O=C(NCc1c(O)cccc1F)NC[C@H]1C[C@@H]2COC[C@@H]2O1 926681132 LJRWYZLUMMAHHV-RULNRJAQSA-N 310.325 1.134 10 10 DDCE Cc1cc(C2(C(=O)NCc3ccc(N)cc3)CCOCC2)on1 859593281 CYTZSKJDLQXEHG-UHFFFAOYSA-N 315.373 1.930 10 10 DDCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cccnn1 862225554 AAZQWDCZEFXAIM-UHFFFAOYSA-N 312.373 1.368 10 10 DDCE CC(C)C[C@@]1(C(=O)N(C)Cc2ccccc2O)CCNC1=O 866596338 DRINMCNMJPYNKB-KRWDZBQOSA-N 304.390 1.903 10 10 DDCE COC(=O)c1cc(OC[C@@H]2CCNC(=O)CC2)ccc1N(C)C 865395106 JFPVVAGQYIUOIR-LBPRGKRZSA-N 320.389 1.834 10 10 DDCE C[C@@H]1C[C@H]1c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1 762250637 FCTNYYAKAGQYMB-VXNVDRBHSA-N 309.347 1.937 10 10 DDCE C[C@H]1C[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 1117083955 JOXOPVVLXGAODU-GXTWGEPZSA-N 303.406 1.483 10 10 DDCE CN(CC[S@](C)=O)Cc1c(O)cccc1Br 707145324 YLNSFRPNPNZQSP-INIZCTEOSA-N 306.225 1.965 10 10 DDCE COc1cc(N)c(N(C)[C@H](C)CS(C)(=O)=O)cc1OC 688573140 IKJNMCRQJCYRKX-SECBINFHSA-N 302.396 1.155 10 10 DDCE CCOc1ccc(N2CCN([C@H]3CON(CC)C3=O)CC2)cc1 1327556350 XKQXBCMZDJUZAO-INIZCTEOSA-N 319.405 1.370 10 10 DDCE CC[C@@]1(C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1 1332020583 CVZKATNGIVSMLJ-KRWDZBQOSA-N 318.373 1.262 10 10 DDCE CN(CCN=[N+]=[N-])[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 1912190736 IPLCCIRJLKFOOJ-ZETCQYMHSA-N 303.310 1.051 10 10 DDCE CC(=O)NCc1cccc(C(=O)NCc2cccc(O)c2O)c1 1455314598 HELPSDFARZHHLV-UHFFFAOYSA-N 314.341 1.664 10 10 DDCE NC(=O)Cc1occc1C(=O)N1CCOc2cc(F)c(F)cc21 1469733946 XQYVQTPVOTYBJZ-UHFFFAOYSA-N 322.267 1.625 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](n2ccnc2)C1 1627048845 XLTKAQMCEQZUIA-CYBMUJFWSA-N 301.346 1.701 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@@H](O)Cc1ccccc1Cl 1638356734 NDHHMINBBSUROL-HNNXBMFYSA-N 321.760 1.971 10 10 DDCE COc1ccc(CNCCN(C)C(=O)C[C@H](C)OC)cc1C 1493497133 YQNBAPXXSZUOJQ-AWEZNQCLSA-N 308.422 1.977 10 10 DDCE Cc1ccc(C(=O)NCCc2ccc(O)c(CO)c2)c(O)c1O 1643816850 XFVYLDVTWVRDRN-UHFFFAOYSA-N 317.341 1.577 10 10 DDCE COc1ccc(N2CCN(CC3=NOCC3)CC2)c(OC)c1 1655378478 DLAMVVDYAISWDR-UHFFFAOYSA-N 305.378 1.602 10 10 DDCE O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC1(CO)CC1 160337337 DUTSUEMCPZXUAG-ZZXKWVIFSA-N 302.374 1.178 10 10 DDCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)NC1=NCCS1 209054846 SMKCJPWKCSGJSD-UTCJRWHESA-N 317.414 1.755 10 10 DDCE CC(C)(C)OC(=O)NC1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCC1 1961047301 CLNWVCNRJAYBON-XYPYZODXSA-N 310.394 1.699 10 10 DDCE CCN(CCCNCc1ccc(F)cc1O)S(C)(=O)=O 293821092 DHCDIHDYPMYHBU-UHFFFAOYSA-N 304.387 1.293 10 10 DDCE CNCc1ccc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)c(F)c1 2153847772 DTEKXDPWTKTMBV-CYBMUJFWSA-N 300.399 1.557 10 10 DDCE C[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)CCS1 379534329 UODXAIZNWLDWDE-NSHDSACASA-N 300.449 1.926 10 10 DDCE Cn1cc(C(=O)NCc2ccccc2O)nc1Br 698477682 CQOWARKERIOJRO-UHFFFAOYSA-N 310.151 1.818 10 10 DDCE Nc1ccc(CS(=O)(=O)N2C[C@H]3C(C(F)F)[C@@H]3C2)cc1 2192278538 RFATUVGLTLUQLQ-GHMZBOCLSA-N 302.346 1.542 10 10 DDCE COc1ccc(Br)c(CN[C@@H]2CNC(=O)C2)c1O 2220448157 HPVWBEDLUFEBNK-ZETCQYMHSA-N 315.167 1.141 10 10 DDCE CC(C)CCN1C(=O)C(=CN2CCN(C)CC2)SC1=S 2296535436 DPEXLQHGJSTBKV-UHFFFAOYSA-N 313.492 1.982 10 10 DDCE Cc1ccc(CN(C)CC(=N)NO)c(O)c1Br 2307570800 MWFVIZCCMFDYOB-UHFFFAOYSA-N 302.172 1.851 10 10 DDCE Cc1ccc(CN(C)[C@@H]2CNC[C@H]2O)c(O)c1Br 2327597108 SEWWIIXZENDCGR-GHMZBOCLSA-N 315.211 1.228 10 10 DDCE CC(=O)N[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 177259238 BHAYSGGMBVLOGP-AWEZNQCLSA-N 308.353 1.834 10 10 DDCE CN1C[C@H]2[C@@H](NC(=O)NCc3ccc(N(C)C)cc3)CC[C@H]2C1 1346655617 QHPCOJXUKWYMGD-UAGQMJEPSA-N 316.449 1.892 10 10 DDCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(CC(N)=O)C(C)C 120520242 JCZFAHCAPDPVTA-UHFFFAOYSA-N 314.345 1.586 10 10 DDCE C[C@H]1CN(CC(C)(C)O)CCN1Cc1cc([N+](=O)[O-])ccc1O 189447352 FXIIORRMANXZOZ-LBPRGKRZSA-N 323.393 1.577 10 10 DDCE COc1ccccc1/C=C\C=C1C(=O)N(C)C(=O)N(C)C1=O 210139018 TXVJMKKNYDZDQE-VURMDHGXSA-N 300.314 1.685 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2cc(C(N)=O)cn2C)c1 131348483 SRFKXZFEHBVBAX-VIFPVBQESA-N 317.345 1.329 10 10 DDCE CNCc1ccc(N(CC(N)=O)C(C)C)cc1Br 234409167 SHTOAHWSJYYLBA-UHFFFAOYSA-N 314.227 1.869 10 10 DDCE COc1ccc(CN(CC(N)=O)Cc2ccccc2)c(O)c1 93358667 VZSAEQDWEDGYFA-UHFFFAOYSA-N 300.358 1.888 10 10 DDCE COc1ccc(N2CCN(C(=O)NC(C)C)CC2)cc1OC 244034949 SVEVDJJPUDBUJC-UHFFFAOYSA-N 307.394 1.944 10 10 DDCE COc1cc(O)c(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1OC 362241212 XDTPSZRSLDXGKT-RTXFEEFZSA-N 320.389 1.508 10 10 DDCE COc1ccc(N2CCN(C(=O)c3cnnc(C)c3)CC2)cc1 276175147 WHWZKEIXTJJEEL-UHFFFAOYSA-N 312.373 1.756 10 10 DDCE CCOC(=O)C(F)(F)[C@H](N)c1cc([N+](=O)[O-])cc(OC)c1O 725426399 ZZTKGPSPAQRHGB-SNVBAGLBSA-N 320.248 1.507 10 10 DDCE CC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCN1CC(F)F 831486517 UVMWVYBSQPXZLA-CQSZACIVSA-N 311.376 1.999 10 10 DDCE COc1ccc(N2CCN(C(=O)N[C@@H](C)[C@H](C)N)CC2)cc1F 842000890 OFYZEUWNHMPHIM-RYUDHWBXSA-N 324.400 1.402 10 10 DDCE CN(C)c1ccc(/C=C/CN2CC[C@H](N3CCNCC3)C2)cc1 843123618 SXMBOCNPKHIIET-RTLBZRNLSA-N 314.477 1.745 10 10 DDCE O=C1O[C@@H](CNCc2cc3c(cc2O)OCO3)CN1C1CC1 848578215 OJSSLXSSKJALCZ-NSHDSACASA-N 306.318 1.194 10 10 DDCE COC1(CS(=O)(=O)Nc2ccc(O)cc2C)CCOCC1 844654157 GWKTWWQXTDOXCJ-UHFFFAOYSA-N 315.391 1.638 10 10 DDCE Oc1ccccc1CN(C[C@@H]1CCCO1)C[C@H](O)C1(O)CCC1 929971579 PIINYIKGVXXHNL-RDJZCZTQSA-N 321.417 1.649 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3C[C@H](O)C3)C2)cc1 854296509 JDVHOQXZDJRQIA-YRGRVCCFSA-N 305.378 1.096 10 10 DDCE Cc1cc(O)cc(=O)n1CCC(=O)NCc1c(O)cccc1F 928705804 NAEXISDDPXGPCX-UHFFFAOYSA-N 320.320 1.414 10 10 DDCE COC(=O)CCNC(=O)CCN[C@@H]1CCc2cccc(O)c21 858541462 KSFIYNJNCHFRCL-GFCCVEGCSA-N 306.362 1.039 10 10 DDCE COc1cccc(CNCCC2CCS(=O)(=O)CC2)c1O 768648921 APWOYHNZDRCJQB-UHFFFAOYSA-N 313.419 1.705 10 10 DDCE CO[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)[C@@H]1CCOC1 868759867 OZOBAAVQVCWABS-ZOWXZIJZSA-N 308.378 1.804 10 10 DDCE C[C@@H](NC[C@H](O)CN1CCOCC1)c1ccc(N(C)C)cc1 775833501 KFMRSJCRVDSOHY-PBHICJAKSA-N 307.438 1.096 10 10 DDCE CNC(=O)C1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 897413512 BKHPVBLANAITTJ-UHFFFAOYSA-N 306.343 1.131 10 10 DDCE CCN(CC)CCNCc1ccc(N2CCCNCC2)cc1 84846300 PACDMIMDDGOJFK-UHFFFAOYSA-N 304.482 1.918 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@H]3C[C@@]3(CO)C2)cc1F 782952840 FQOFCTJAZHZWCE-WBMJQRKESA-N 307.369 1.416 10 10 DDCE Oc1ccc(Br)cc1CN[C@H]1COCC[C@@H]1O 710923068 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O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H]1c1nc[nH]n1 1646151769 HQIGEQZABXPIBM-QZPNVGJNSA-N 300.318 1.593 10 10 DDCE CC(=O)N(CC(=O)NCc1cc(O)ccc1O)c1ccccc1 1651225507 MNLBBBNHOVFSDP-UHFFFAOYSA-N 314.341 1.767 10 10 DDCE CC/C(C)=C\C(=O)NC[C@H](O)CNCc1ccc(OC)c(C)c1 1667814229 LFOHCJGPSYQASB-LPDYGMJQSA-N 320.433 1.927 10 10 DDCE C[C@@H](CNCc1ccc(O)c(O)c1O)NC(=O)OC(C)(C)C 235138312 UWVVXKPARDOSLN-VIFPVBQESA-N 312.366 1.806 10 10 DDCE CCNc1nc(Sc2nccs2)nc(-n2cncn2)n1 150290586 AYIBOAWLWLOYSE-UHFFFAOYSA-N 306.380 1.492 10 10 DDCE CNC(=O)CN(Cc1ccccc1)c1ccc(CO)c(OC)c1 1994422059 KGHUVECMSMNPST-UHFFFAOYSA-N 314.385 1.940 10 10 DDCE NC[C@@H]1C[C@@H](O)CN1Cc1ccc(Br)cc1O 2010539056 NKHKWHUIGWINIC-WDEREUQCSA-N 301.184 1.049 10 10 DDCE C[C@H]1CN(c2cc(Cl)c(CN)cc2F)C[C@H](CCO)O1 2179384917 YZHVFUJRVLVJLD-ONGXEEELSA-N 302.777 1.914 10 10 DDCE Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCc1c(O)cccc1O 1635847656 QYAVCWMWJMFYDQ-VIFPVBQESA-N 303.362 1.933 10 10 DDCE CNCc1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1Br 2043132190 AKBZJYNXAAVGOQ-RYUDHWBXSA-N 315.211 1.100 10 10 DDCE CN(C)c1ccc([C@H](NN)c2ncc(Br)cn2)cc1 2106824790 CMFOUFREENZHAZ-LBPRGKRZSA-N 322.210 1.858 10 10 DDCE CCS(=O)(=O)CNC(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 2233868271 CZYUTJSLPSTCPY-JTQLQIEISA-N 303.388 1.501 10 10 DDCE Oc1cc(O)c(CNC[C@@H]2CCNC2)cc1Br 2248031964 JDQUAQGUTJAKAS-MRVPVSSYSA-N 301.184 1.559 10 10 DDCE CSc1ncc(CNC(=O)N(C)C2(C(=O)O)CC2)s1 2269095335 MORHXVOMGWPLPV-UHFFFAOYSA-N 301.393 1.624 10 10 DDCE CSc1ncc(CN2C(=O)NC(=O)[C@H](C(C)C)C2=O)s1 2284667150 RRHMQSKDAMCNIW-QMMMGPOBSA-N 313.404 1.716 10 10 DDCE CC[C@@](NC(=O)C=Cc1ccc(O)c(O)c1)(C(N)=O)C(C)C 2308195205 AWXRSRLEZYTJIF-INIZCTEOSA-N 306.362 1.517 10 10 DDCE CN(C)c1ccc([C@H](CNC(=O)C2CC2)N2CCOCC2)cc1 20603804 LLXLVLHPIIQXLW-KRWDZBQOSA-N 317.433 1.652 10 10 DDCE C[C@@H](NC=C1C(=O)NC(=S)NC1=O)c1ccccc1Cl 48403066 SJIFTHQCRNEYIE-SSDOTTSWSA-N 309.778 1.405 10 10 DDCE CN(Cc1cscn1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 42868779 WPQYYRFUTAEEQT-NSHDSACASA-N 307.375 1.083 10 10 DDCE C[C@@H](NCCCS(=O)(=O)N(C)C)c1cc(O)ccc1O 2367613614 IEYJNZDUDMBGMR-SNVBAGLBSA-N 302.396 1.030 10 10 DDCE Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)ccc1O 148635784 LJJQKRNHZSVMPV-UHFFFAOYSA-N 309.303 1.805 10 10 DDCE O=C(Nc1ncnc(Cl)c1Cl)c1cc(O)nc(O)c1 236602052 ITTBHHLKUSMCME-UHFFFAOYSA-N 301.089 1.842 10 10 DDCE COc1cc(O)c(CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1OC 295203591 YZJXCRDUVUIKAC-DYVFJYSZSA-N 322.405 1.314 10 10 DDCE COCc1c(C(=O)OCC(=O)C(C)=O)cnn1-c1ccccc1 808537200 KFQIFZVFIXSGQV-UHFFFAOYSA-N 316.313 1.334 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@@H]2[C@H]53 800514904 PYIPSGXZHGRTNI-JOAVENAKSA-N 309.365 1.678 10 10 DDCE CO[C@]1(CNS(=O)(=O)Cc2ccc(N)cc2)CCSC1 719306632 MIMQDJCGPDNHOY-ZDUSSCGKSA-N 316.448 1.210 10 10 DDCE C[C@H](CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(=O)O 588593200 CSKIQAPSFMVRTK-LLPBQKLSSA-N 318.373 1.373 10 10 DDCE C[C@H](N)[C@@H](C)NC(=O)NCc1cc(Br)ccc1O 842007390 SUZIXJYFKDDMEZ-JGVFFNPUSA-N 316.199 1.690 10 10 DDCE COC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855233303 FVHAUQHTJXCKKJ-RYUDHWBXSA-N 321.377 1.135 10 10 DDCE CCC[C@H](O)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855234316 XAKXDAZNMVXVJR-ZFWWWQNUSA-N 306.406 1.941 10 10 DDCE CC(C)OC[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C 852799505 UMEYOKZYKJYWTG-HNNXBMFYSA-N 305.422 1.438 10 10 DDCE c1cc2c(cc1CNCc1cn(C[C@H]3CCOC3)nn1)CCO2 865440263 GTFFNXOQNIKNPX-CQSZACIVSA-N 314.389 1.539 10 10 DDCE COCCNC(=O)c1ccc(N2Cc3cccc(O)c3C2)nc1 866118537 CPKGESOPKJMMAK-UHFFFAOYSA-N 313.357 1.684 10 10 DDCE CCOC[C@H](C(=O)OC)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 779527707 DKVIJCKPJFXJJI-XYLWRLHESA-N 323.345 1.148 10 10 DDCE CCCC(=O)N1CSC[C@H]1C(=O)N1Cc2cccc(O)c2C1 871200820 JMGFOCSGXZOQGZ-ZDUSSCGKSA-N 320.414 1.936 10 10 DDCE CN1CCCC[C@@H](N(C)C(=O)/C=C\c2ccc(O)c(O)c2)C1=O 870603319 LBKBGYCZRWTORA-FNOHHLHBSA-N 318.373 1.580 10 10 DDCE O=S(=O)(NCc1ccccc1O)c1cnn(CC2CC2)c1 777962009 NRULREWNSPDGIO-UHFFFAOYSA-N 307.375 1.477 10 10 DDCE Cn1nccc1[C@@H]1COCCN1Cc1cc(F)cc(F)c1O 895149064 BPXMLNAZWIJTBX-AWEZNQCLSA-N 309.316 1.977 10 10 DDCE CCOC(=O)CC[C@@H](C)NC(=O)NCc1ccc(OC)cc1O 793133782 YMUBRCZHXRJJBN-LLVKDONJSA-N 324.377 1.932 10 10 DDCE Cc1noc(C)c1C[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1147318501 VRJRUMAMXFMNCG-SECBINFHSA-N 304.346 1.993 10 10 DDCE Cc1ccccc1[C@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1465857827 GPTJUVXTAVHKNQ-MRXNPFEDSA-N 301.342 1.799 10 10 DDCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnco1 1466398809 USHNHBVPADWZMP-UHFFFAOYSA-N 324.720 1.849 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc2c(n1)OCCO2 1471661778 BLBBBUPAPMZCQV-UHFFFAOYSA-N 302.286 1.194 10 10 DDCE CN(C)c1cccc(CNC(=O)Cc2ccc(O)c(O)c2)n1 1545913035 OZXIBPWXQVCKQF-UHFFFAOYSA-N 301.346 1.418 10 10 DDCE Cc1[nH]c(C=O)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1567467732 QDQZLTXFVYTPSS-SECBINFHSA-N 302.330 1.908 10 10 DDCE O=C1NCCc2ccc(NC(=O)c3c(F)ccc(O)c3O)cc21 1648656215 CRDDIUMIAVBZRX-UHFFFAOYSA-N 316.288 1.775 10 10 DDCE O=C(NC[C@H](O)Cc1ccccc1F)c1c(F)ccc(O)c1O 1649035782 MADGMDGQFYTAHV-SNVBAGLBSA-N 323.295 1.709 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CC[C@@H](c2nn[nH]n2)C1 1655439365 LHVPSEBHGPEYSI-CQSZACIVSA-N 314.393 1.026 10 10 DDCE O=C(Nc1ccccc1Cn1cncn1)c1cccc(O)c1O 1597092918 WRZZXROAQAZEFO-UHFFFAOYSA-N 310.313 1.990 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@H](C)C3)c(Cl)cc21 166400402 BKLHXGBFLDSSAN-ULOPGQLASA-N 309.797 1.760 10 10 DDCE Oc1ccc2c(c1)O[C@@H]1c3cc(O)c(O)cc3CO[C@H]1[C@H]2O 238774633 OPWUVOPHCMWWGJ-XHSDSOJGSA-N 302.282 1.869 10 10 DDCE CC(C)(C)OC(=O)N1CCSC[C@@H]1C(=O)NCCN=[N+]=[N-] 1885563496 VMARZODMNFMRAT-SECBINFHSA-N 315.399 1.765 10 10 DDCE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCCN=[N+]=[N-] 1963815628 AVWVYTXBFMWBAP-SECBINFHSA-N 301.347 1.343 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)CCc1ccc(N)cc1 1977673389 ZNDWGKCGPJKWNR-UONOGXRCSA-N 319.405 1.983 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(Cl)c1 2145071941 IKBQMUTWXAMDAF-NURSFMCSSA-N 314.838 1.983 10 10 DDCE C[C@](O)(CCO)CNCc1cccc(Br)c1O 1999978879 JTBPUBCQEAURAK-LBPRGKRZSA-N 304.184 1.378 10 10 DDCE C[C@H]1CN(c2c(F)cc(CN)cc2F)C[C@H](C)S1(=O)=O 400844052 MKFLWJYSLCDTJO-IUCAKERBSA-N 304.362 1.435 10 10 DDCE NCc1cc(F)c(N2CCOC[C@@H](O)C2)cc1Br 399905459 CFWWPJHINOGPIK-VIFPVBQESA-N 319.174 1.244 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@@](O)(C4CC4)C3)c2n1 2062816005 IRNPURRALQAUQH-INIZCTEOSA-N 316.361 1.120 10 10 DDCE N[C@@H]1C[C@H](O)CN(Cc2cc(Br)cc(F)c2O)C1 2049114476 RZLLGZDHYDDGQH-ZJUUUORDSA-N 319.174 1.188 10 10 DDCE OC[C@]1(CNCc2ccc(Br)cc2O)CCCO1 2073632983 NULMGDPPQIUQLM-CYBMUJFWSA-N 316.195 1.786 10 10 DDCE NCc1ccc(N2C[C@@H]3C[C@@H]3[C@H]2CO)c(F)c1Br 2078271046 AQMVPHKQWITAQP-ATZCPNFKSA-N 315.186 1.864 10 10 DDCE O=S1(=O)C[C@H]2CCN(Cc3cccc(Cl)c3O)[C@H]2C1 2094883532 WNMPEZFKBCZSMF-PWSUYJOCSA-N 301.795 1.665 10 10 DDCE O=C(Nc1nnc(Br)s1)c1cc(O)nc(O)c1 2213673866 OZTJTNMXESBGGW-UHFFFAOYSA-N 317.124 1.359 10 10 DDCE COc1ccc(Br)c(CN[C@@H]2C[C@H]2CO)c1O 2214882708 KQMNDASKBWGPLH-OIBJUYFYSA-N 302.168 1.634 10 10 DDCE C[C@@H]1CCCN(CCNC(=O)C=Cc2ccc(O)c(O)c2)C1 2307990316 JRSIGIQWEPBGLK-CYBMUJFWSA-N 304.390 1.959 10 10 DDCE CCCN(CC(=O)NC)c1ccc(CN)c(Br)c1 228150006 ZNRAGRNLAMDKLR-UHFFFAOYSA-N 314.227 1.870 10 10 DDCE Oc1ccc(Br)cc1CN1CCOC[C@H](O)C1 294803898 NDYYGKKWHOXTGM-LLVKDONJSA-N 302.168 1.348 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2[C@H]3CC[C@H]2[C@@H](CO)C3)c1O 290831281 HRRGFUKKFBWQSS-WOPDTQHZSA-N 308.334 1.654 10 10 DDCE CO[C@]12CCC[C@@]1(C(=O)NCc1ccc(O)c(O)c1)CCO2 821070880 PLUOECBZOFNJOO-HOTGVXAUSA-N 307.346 1.647 10 10 DDCE CN1CCN(c2ccc(CN3C[C@H]4COC[C@]4(C)C3)cc2)CC1 827280051 CZLLBUMIYOTQFT-HKUYNNGSSA-N 315.461 1.907 10 10 DDCE COc1ccc(N(C)C(=O)c2c[nH]nc2[C@@H]2CCNC2)cn1 662897224 ICAFRBYWBVJBCJ-SNVBAGLBSA-N 301.350 1.167 10 10 DDCE COCCN1CCC[C@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 588404165 WZRWKEACAPDMJN-VSKVDJIOSA-N 320.389 1.338 10 10 DDCE COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@H](C)N)CC2)cc1 841779683 WLPPITPSSKNDIF-QWHCGFSZSA-N 320.437 1.699 10 10 DDCE C[C@@H]1OCC[C@H]1S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 844783086 RFSMFKDTQWHTLS-WRWORJQWSA-N 301.320 1.010 10 10 DDCE COc1c(C)[nH]cc(CN(C)C(=O)c2cc(O)cs2)c1=O 913324397 SMMWHPMOPPLGCR-UHFFFAOYSA-N 308.359 1.731 10 10 DDCE CO[C@H](CS(=O)(=O)Nc1ccc(O)c(F)c1F)C1CC1 842585668 DFEDYUCPONJIQL-SNVBAGLBSA-N 307.318 1.837 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN(C2CC2)[C@@H]2CCNC2)c1O 843055886 RSSTUQIPPLUDDN-GFCCVEGCSA-N 307.350 1.635 10 10 DDCE Nc1ccc(CCNC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@@H]23)cc1 843341900 IUICEZIFCXLCGA-WBZXIVPDSA-N 308.381 1.255 10 10 DDCE COc1ccc(N(C)Cc2nccn2S(=O)(=O)N(C)C)cc1 845998474 NGGXMGFJROBDDZ-UHFFFAOYSA-N 324.406 1.183 10 10 DDCE CC(C)(C)OC(=O)C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1 859601380 UBJOTWMODWSOBR-ALCCZGGFSA-N 322.313 1.565 10 10 DDCE CCN(CC)c1ccc(CN2CCO[C@H](CC(N)=O)C2)cc1F 862535340 JVHAJQHQCRHHRT-CQSZACIVSA-N 323.412 1.748 10 10 DDCE COc1cc(Cl)cc(CN2CCN(C3CC3)C(=O)C2)c1O 761203501 URQWBCTZKPBHEW-UHFFFAOYSA-N 310.781 1.861 10 10 DDCE COC(=O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccn(C)n1 787438320 NQYOWUVOPZMZCH-HNNXBMFYSA-N 301.346 1.359 10 10 DDCE C/C(=C/C(=O)NCc1ccc(N(C)C)cc1)CN1CCOCC1 899983215 NWCQUZWHZVONEY-QINSGFPZSA-N 317.433 1.647 10 10 DDCE CC(=O)c1cn(C2CN(Cc3ccc(N(C)C)c(F)c3)C2)nn1 897937697 UYLJSNOLPWJUSY-UHFFFAOYSA-N 317.368 1.743 10 10 DDCE Cc1nnccc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 797646282 VHHWHPIJXPOKLY-SECBINFHSA-N 302.334 1.949 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](NC(N)=O)C(C)C 1142416538 ACNASYOLWUNNJJ-HNNXBMFYSA-N 320.437 1.794 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)Cn2ccnc2)cc1C 1265873717 ZOMASGIZFGNAFE-CQSZACIVSA-N 316.405 1.495 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc(-n2ccnn2)cc1 1451763735 BEURPQDDCXBJTO-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 1292122897 XYNJQQSZBCGHCP-GFCCVEGCSA-N 301.350 1.816 10 10 DDCE NCc1ccc(N2CC[C@](F)(CO)C2)cc1Br 1917067301 JYYUBSHGSJVQBF-GFCCVEGCSA-N 303.175 1.819 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CCO)Cc1ccccc1 1634970279 CCOZDIWFFFCPLF-OAHLLOKOSA-N 315.369 1.750 10 10 DDCE Nc1c(F)cc(F)cc1C(=O)NCCc1ccc(O)c(O)c1 1630335933 XZGSZTHDCSEWAN-UHFFFAOYSA-N 308.284 1.931 10 10 DDCE CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCCCO 1567990427 HLJHRGDGPAOQNY-GFCCVEGCSA-N 321.381 1.329 10 10 DDCE Cn1nnc2cc(C(=O)NCc3c(O)cccc3F)cnc21 1646035270 VENIMGJHBWCGTJ-UHFFFAOYSA-N 301.281 1.138 10 10 DDCE CC/C(C)=C/C(=O)NC[C@H](O)CNCc1ccc(OC)c(C)c1 1667814232 LFOHCJGPSYQASB-WDBUWWRISA-N 320.433 1.927 10 10 DDCE CN1C(=O)NC(=O)/C(=C\c2ccccc2Br)C1=O 6379258 LGUPECCZMHOAAK-SOFGYWHQSA-N 309.119 1.541 10 10 DDCE CC[C@H](N[C@@H](C)CS(=O)(=O)N(C)C)c1ccccc1O 1967467210 YDFBDXUUPNURBQ-AAEUAGOBSA-N 300.424 1.713 10 10 DDCE C[S@](=O)C1CN(c2ccc(CN)cc2Br)C1 1981170791 SFOYUHJHEGJRNH-INIZCTEOSA-N 303.225 1.475 10 10 DDCE CN1CCN(CCCCN=[N+]=[N-])[C@@H](CNC(=O)C(F)(F)F)C1 1982247997 ONVQRANNFWBSGA-JTQLQIEISA-N 322.335 1.371 10 10 DDCE C[C@H](C(=O)O)S(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2152893531 KMQSMMAGXZUMGD-RXMQYKEDSA-N 313.253 1.626 10 10 DDCE C[C@@H](O)c1ccc(N2CC(OCCO)C2)cc1Br 2034842494 MRGGIXPDHROTKV-SECBINFHSA-N 316.195 1.700 10 10 DDCE O=C(c1c[nH]nc1[C@H]1CCNC1)N1CCOc2cc(F)ccc21 2062295349 GAEVWHBAAYMZRP-JTQLQIEISA-N 316.336 1.665 10 10 DDCE O=C(O)Cc1cc(O)n2nc(C3CCCCC3)c(C(=O)O)c2n1 2080934380 LYSXZBPMERNNSC-UHFFFAOYSA-N 319.317 1.808 10 10 DDCE CN(c1ccc(CN)cc1Br)[C@@H]1CCC(=O)NC1 2063568760 FHSYWUYGGXUSPS-SNVBAGLBSA-N 312.211 1.623 10 10 DDCE CN(c1ccc(N)cc1)S(=O)(=O)c1ncn(C)c1Cl 2106478250 LWUSPRSZMSXOCF-UHFFFAOYSA-N 300.771 1.481 10 10 DDCE C[C@H](O)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)c(F)c1 2206681605 HXNNKCJCPVAQSN-ZETCQYMHSA-N 309.309 1.705 10 10 DDCE CO[C@H]1CNC[C@H](C(=O)NCc2cnc(SC)s2)C1 2269199809 MPPMXOGPOQUNTA-RKDXNWHRSA-N 301.437 1.106 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC(c3nncs3)C2)cc1 2285515752 LENRUUQGMRAMQO-UHFFFAOYSA-N 310.404 1.050 10 10 DDCE CO[C@H](C)CNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2310984022 PJROXNSGVIRVHS-CQSZACIVSA-N 304.390 1.688 10 10 DDCE Cc1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)c(O)c1O 177687574 WHJORUUIHQJLPF-GFCCVEGCSA-N 305.252 1.546 10 10 DDCE O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/Nc1ccncc1 103770436 FBAPHRJGEHEJPY-GXDHUFHOSA-N 322.324 1.656 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1 172652974 VJOFEDZJKKEJCH-UONOGXRCSA-N 318.421 1.596 10 10 DDCE O=C1N=C(N2CCN(CCO)CC2)S/C1=C/c1ccccc1 20289506 NBSRKEZWTDWSHY-WYMLVPIESA-N 317.414 1.267 10 10 DDCE Cc1ncc(S(=O)(=O)N(Cc2ccc(N)cc2)C2CC2)[nH]1 70418356 ITBZFEUWWXCATD-UHFFFAOYSA-N 306.391 1.654 10 10 DDCE Cc1cc(NS(=O)(=O)N(C)CCC(=O)O)cc(C)c1O 2366455773 QRKWNYGGEZOPCP-UHFFFAOYSA-N 302.352 1.072 10 10 DDCE COC(=O)[C@H]1CCCCN1S(=O)(=O)Cc1ccc(N)cc1 40333204 CICUTXVNDKMKLB-CYBMUJFWSA-N 312.391 1.126 10 10 DDCE COCc1cc(NC(=O)N(C)Cc2ccccc2O)ncn1 93318643 FGQIFUAHHZVWFO-UHFFFAOYSA-N 302.334 1.993 10 10 DDCE Cn1ccnc(NCc2cc(Br)ccc2O)c1=O 804828142 JCRDWEMTVPROSX-UHFFFAOYSA-N 310.151 1.861 10 10 DDCE C[C@H](O)c1ccc(N(C)CC2(S(C)(=O)=O)CC2)c(F)c1 2167829765 ILVYIHCDKPHXSJ-JTQLQIEISA-N 301.383 1.892 10 10 DDCE CN1CCC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1=O 294887263 IJRNIGRLKHVOIT-CQSZACIVSA-N 316.401 1.756 10 10 DDCE CC(=O)C(=O)COC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1 808509726 ZQVWTAZAPQLFAZ-UHFFFAOYSA-N 307.277 1.246 10 10 DDCE Cc1cc(O)nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 816029285 ZTUDTCXINQABRH-SNVBAGLBSA-N 302.330 1.868 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1COCCOC1 813816621 CYILLCFYYNDKLH-UHFFFAOYSA-N 321.421 1.700 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@@H]2CCCS2(=O)=O)cc1 835041887 OUBLPCAJWXBJID-WMHVBEDNSA-N 308.447 1.933 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@H]2CCN(S(C)(=O)=O)C2)cc1 846030447 DKAWKABSZFFRBU-XVWMLYKFSA-N 323.462 1.389 10 10 DDCE COC(=O)CC1CC(NC(=O)N(C)Cc2ccccc2O)C1 924915944 HYRNJGPZFCCLPR-UHFFFAOYSA-N 306.362 1.875 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CCCCC[C@@H]2CCO)cc1 841129812 LQIMIRHGDXNZBZ-CQSZACIVSA-N 305.378 1.361 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCC12CC(CN1)C2 851676697 HHAONBVPCCONOP-UHFFFAOYSA-N 302.422 1.646 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)C=C2CCNCC2)cc1 852791199 DQCYMOBHTGHFKA-MRXNPFEDSA-N 302.422 1.178 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NCc2ccccc2O)C1 1896126603 SFGDUKCMYUYGPV-UKRRQHHQSA-N 322.405 1.852 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C[C@@H]1C[C@H]2COC[C@H]2O1 930128909 XNOMSYQQFVFHAS-RVSPLBMKSA-N 304.390 1.755 10 10 DDCE COc1cccc(CNC(=O)c2cc(-n3ccnc3)ccn2)c1O 778915355 RZARDDLWYNAZDH-UHFFFAOYSA-N 324.340 1.912 10 10 DDCE CON(C(=O)c1cccc(O)c1O)[C@@H](C)C(=O)OC(C)(C)C 871246199 LAUZDWYUZSTPQO-VIFPVBQESA-N 311.334 1.832 10 10 DDCE C[C@@H](NC(=O)[C@H]1C[C@@H]2CC[C@H](C1)S2(=O)=O)c1ccccc1O 881440956 RTCVTQDBFVEMNO-LPWJVIDDSA-N 323.414 1.925 10 10 DDCE CCN(C)C(=O)[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 897534836 TVLLIYYCVGMOCW-QMMMGPOBSA-N 322.386 1.909 10 10 DDCE CN(C[C@@H](O)CN(C)c1ccc(N)cc1)C(=O)OC(C)(C)C 1959561085 RYBIFQJSSGUQFZ-AWEZNQCLSA-N 309.410 1.933 10 10 DDCE COC(=O)/C=C/c1ccc(C(=O)NCc2c(O)cccc2O)o1 1156885755 NHOOIPNUSPWOPH-SOFGYWHQSA-N 317.297 1.807 10 10 DDCE O=S1(=O)CCC(CNCc2ccc(Cl)cc2O)CC1 1964037907 CMXUNDAVLJVZDJ-UHFFFAOYSA-N 303.811 1.960 10 10 DDCE CC[C@@H](C)[C@H](NC(=O)CC1C(=O)c2ccccc2C1=O)C(=O)O 100435283 RQIJGAQBRNHVEB-OTYXRUKQSA-N 317.341 1.687 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cccc2ncnc(O)c12 1177490443 VYPVKOPQURQNFA-UHFFFAOYSA-N 311.297 1.928 10 10 DDCE CCN(CC)c1ccc(CN(C)C(=O)C2=NO[C@H](CN)C2)cc1 1327569273 GAJSEZOIPMKBCP-HNNXBMFYSA-N 318.421 1.595 10 10 DDCE O=S1(=O)C[C@H]2C(CNCc3cc(Cl)ccc3O)[C@@H]2C1 2117988489 PAGGGXSNFPPEJE-RYUDHWBXSA-N 301.795 1.426 10 10 DDCE CN(CC[C@H]1CCCCN1C)C(=O)Cc1ccc(O)c(O)c1 1465464253 QJQMNNHVURAQTA-CQSZACIVSA-N 306.406 1.973 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1[C@H](O)C(F)(F)F 1545998377 OXTNHNFPEXRVKP-RNCFNFMXSA-N 319.279 1.555 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)CN2CCCC2)cc1C 1716423224 JNPJNDJAECLOSR-OAHLLOKOSA-N 319.449 1.694 10 10 DDCE Cc1ccccc1-n1cc(C(=O)NCc2ccc(O)cc2O)nn1 1557085661 SDUKWKPUBNUIPV-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE CS(=O)(=O)N1CCC[C@H](CN2CCC[C@@H](N=[N+]=[N-])C2)C1 1912179957 YZPLPEYZWMZSDV-VXGBXAGGSA-N 301.416 1.433 10 10 DDCE [N-]=[N+]=NCCCCN1CCC[C@@H](N2CCCS2(=O)=O)C1 1912205606 AYVKYYAVZLOACE-GFCCVEGCSA-N 301.416 1.577 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCn2ncnc21 1638347794 MKUPJNIBKXVZDO-ZYHUDNBSSA-N 316.361 1.314 10 10 DDCE COC(=O)[C@H]1CCC[C@H](C(=O)NCc2c(O)cccc2O)C1 1647270790 ZHQZDHFIVHIAMI-QWRGUYRKSA-N 307.346 1.693 10 10 DDCE Cc1ccc(C(=O)NCc2[nH]cc(C)c(=O)c2C)c(O)c1O 1645588408 UUWMTSHDZKJXHF-UHFFFAOYSA-N 302.330 1.641 10 10 DDCE COC(=O)c1ncoc1CNC(=O)/C=C/c1ccc(O)c(O)c1 1643433438 OKIGDYFDWWYQGH-HWKANZROSA-N 318.285 1.202 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cnn(-c2ccncc2)c1 1643812787 QDLPQTAUNCITNU-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE C[C@@H](CC(N)=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 1583676811 QXPSWSQPHFZQPX-STQMWFEESA-N 319.405 1.212 10 10 DDCE CN1C[C@@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1=O 1652076048 QWXUCMGAQAKRBQ-JTQLQIEISA-N 317.349 1.447 10 10 DDCE C[C@@H](CNC[C@@H](C)O)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1667063775 POJKOYKAXAFXCE-WDEREUQCSA-N 321.381 1.280 10 10 DDCE Cc1nc(CNC(=O)NCc2c(O)ccc3c2CCCC3)n[nH]1 1684546902 PEIJYWPRDNSGAU-UHFFFAOYSA-N 315.377 1.697 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C1 1648021082 RMOVLPIXBMWUQI-AOOOYVTPSA-N 322.361 1.883 10 10 DDCE Cc1nn(C)c(=O)n1C1CCN(Cc2cccc(F)c2O)CC1 826623208 WFSWKGWOPIXPIX-UHFFFAOYSA-N 320.368 1.572 10 10 DDCE C[C@@H]1CCCC[C@H]1NC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878939 OXMJBSRFJOQGGB-ZWNOBZJWSA-N 300.366 1.553 10 10 DDCE O=C(CN1CCc2cc(O)c(O)cc2C1)NCc1ccccc1 1902004290 VMCBBDDTMJPAPC-UHFFFAOYSA-N 312.369 1.772 10 10 DDCE CO[C@H]1CN(C)C[C@H]1Nc1c(N)cccc1Br 1946429938 IVKOGNYCXXCAFF-MNOVXSKESA-N 300.200 1.772 10 10 DDCE C[C@H]1C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)N(C(=O)OC(C)(C)C)C1 1980372229 YSYUUVYVGIYTRO-CYDGBPFRSA-N 324.421 1.898 10 10 DDCE Nc1cccc(Br)c1NC1[C@@H]2CS(=O)(=O)C[C@@H]12 2006195384 UOHLQJFTAHQMBI-RNFRBKRXSA-N 317.208 1.486 10 10 DDCE CO[C@H]1C[C@@H](CN)N(Cc2cc(Br)ccc2O)C1 2030285587 AWMHAQBBPTUXMM-RYUDHWBXSA-N 315.211 1.703 10 10 DDCE CC[C@@H](C(N)=S)S(=O)(=O)NCc1ccc(N(C)C)cc1 2160465596 NARUBOSJYZWMHA-LBPRGKRZSA-N 315.464 1.237 10 10 DDCE CS[C@H]1CCCN(S(=O)(=O)Cc2ccc(N)cc2)C1 382930385 FOZFFIKICGNRAL-ZDUSSCGKSA-N 300.449 1.926 10 10 DDCE O=C(CNCc1cc(Br)ccc1O)NCC1CC1 392961544 JPYUDKSMDLBVPG-UHFFFAOYSA-N 313.195 1.771 10 10 DDCE CC(C)(CNCc1cc(Br)cc(F)c1O)C(N)=O 715744653 JYJDRILSAUACOK-UHFFFAOYSA-N 319.174 1.895 10 10 DDCE CN(C)c1ccc(CN=c2nc(Br)[nH]n2C)cc1 2052947845 FWDDOZOVVBYLGA-UHFFFAOYSA-N 310.199 1.678 10 10 DDCE Nc1ccc(OCCNC(=O)C(Cl)=C(Cl)C(=O)O)cc1 2203935962 DXONBMYBLCWKHE-UHFFFAOYSA-N 319.144 1.538 10 10 DDCE O=C(NCc1conc1Br)c1cccc(O)c1O 2222867656 GVBWTUVKMXJDHQ-UHFFFAOYSA-N 313.107 1.778 10 10 DDCE CN=c1ccc(CC(=O)NCc2cnc(SC)s2)c[nH]1 2284713415 PQRUDJHIAGYBAF-UHFFFAOYSA-N 308.432 1.583 10 10 DDCE CSc1ncc(CNS(=O)(=O)C2CCNCC2)s1 2256937385 INAOYMKQMAFCKT-UHFFFAOYSA-N 307.466 1.036 10 10 DDCE CCN1C(=O)C(=Cc2ccc(OCC(N)=O)cc2)SC1=S 2295450046 CAWASAZFRDHWCX-UHFFFAOYSA-N 322.411 1.772 10 10 DDCE C[C@@](Sc1nccs1)(C(=O)O)[C@@H]1CCS(=O)(=O)C1 2326904645 UIWKNKKNYFYMOP-XCBNKYQSSA-N 307.418 1.513 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)C[C@@H]3COC[C@@H]32)s1 2345908456 ZOERJEVBPYOMPG-FDOIEUKUSA-N 300.405 1.444 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 301960048 PYFCZBNXPZEDGT-YZFRKGMMSA-N 320.345 1.988 10 10 DDCE O[C@@]1(CCNCc2ccc(N3CCOCC3)cc2)CCOC1 404194428 OVYMOCFKSBFYMD-KRWDZBQOSA-N 306.406 1.154 10 10 DDCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NN1CCOCC1 120308763 VEDAISBNBKCSQV-UHFFFAOYSA-N 300.318 1.227 10 10 DDCE COc1ccc(O)c(CN2CCOC[C@H]2c2nc(C)no2)c1 188467576 CMBXTDXAWCDNDG-ZDUSSCGKSA-N 305.334 1.666 10 10 DDCE COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)C3)c1O 188426550 DIGSHBJACFYWTJ-UHFFFAOYSA-N 312.325 1.825 10 10 DDCE O=S(=O)(C(F)F)[C@@H]1CCN(Cc2ccc(F)cc2O)C1 2368504490 GKQMTIYWGXNMPP-SNVBAGLBSA-N 309.309 1.743 10 10 DDCE COC[C@@H](O)[C@@H](N)c1c(Br)ccc(Cl)c1O 95804173 XIKBLJSNECZDHU-VXNVDRBHSA-N 310.575 1.815 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2C[C@@H]3OCCC[C@H]32)c1O 249231558 VPPXVBFDGXIDOJ-SCRDCRAPSA-N 306.362 1.768 10 10 DDCE CN1CCCc2cc([C@H]3NC(=O)[C@H]4CSCCN43)ccc21 270856136 ZVGDMODLXOLBQK-CABCVRRESA-N 303.431 1.615 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CC[C@@H](NC(N)=O)C2)c1O 270673944 SOOBYQSGFVSZNK-LLVKDONJSA-N 311.769 1.491 10 10 DDCE Cc1cc(COCC(=O)NCCc2ccc(O)c(O)c2)on1 801173527 WKNWYICNESCZHA-UHFFFAOYSA-N 306.318 1.270 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 808523906 XFQGHLOTTZCIFO-UHFFFAOYSA-N 324.720 1.185 10 10 DDCE CCOC(=O)CN(Cc1cncnc1)Cc1ccccc1O 822512274 ZPGDBQLQEHRCCI-UHFFFAOYSA-N 301.346 1.748 10 10 DDCE O=C(O)C1CC(S(=O)(=O)Nc2ccc(O)cc2Cl)C1 723273086 ZEBPIBHZJSGOSN-UHFFFAOYSA-N 305.739 1.651 10 10 DDCE Cc1ccc(O)c(CN2CCN([C@H]3CCNC(=O)CC3)CC2)c1 825148121 QBMCADUCPHWMKM-MRXNPFEDSA-N 317.433 1.487 10 10 DDCE O=C(NCc1cc(Br)ccc1O)[C@@H](O)C1CCC1 832445828 KBVRVKAVSSZIGV-LBPRGKRZSA-N 314.179 1.932 10 10 DDCE CC(=O)C(=O)COC(=O)C[C@@H](C)n1cc(Br)cn1 830659828 ZPRVCSXPAKMXTG-SSDOTTSWSA-N 317.139 1.298 10 10 DDCE O=C(O)CN(Cc1ccccc1O)C(=O)CCOCC1CC1 911486916 AEDSBYYZZSEVBD-UHFFFAOYSA-N 307.346 1.622 10 10 DDCE O=S(=O)(CCOCC1CC1)NCc1c(O)cccc1F 921450917 HLPXEZAVGPZLCU-UHFFFAOYSA-N 303.355 1.377 10 10 DDCE COCCCCS(=O)(=O)NCc1cc(Cl)ccc1O 845996598 QWHLPDRHEJXBAT-UHFFFAOYSA-N 307.799 1.892 10 10 DDCE CC[C@H](NC[C@H](O)CS(C)(=O)=O)c1cc(Cl)ccc1O 927023880 JEVDOHPFAQPSPS-JQWIXIFHSA-N 321.826 1.492 10 10 DDCE CN(C[C@@H](O)COC[C@H]1CCCO1)c1ccc2c(c1)OCO2 756646445 WQHSOOTVUMJLLV-ZIAGYGMSSA-N 309.362 1.408 10 10 DDCE CO[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 854324120 GXYZBEQSYMPXIS-ZBFHGGJFSA-N 306.406 1.763 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC[C@H](O)[C@@H]2CCCO2)c1 858469779 SNUUYJPEMXCNME-LKTVYLICSA-N 309.362 1.369 10 10 DDCE COC(=O)c1cnc(CN(C)c2ccc(OC)cc2OC)cn1 859204602 JSCSKGCURZBWPF-UHFFFAOYSA-N 317.345 1.917 10 10 DDCE C[C@H](NC(=O)N[C@H](CCF)C(=O)O)c1ccc(N(C)C)cc1 929046449 UWQUWOBYCUBDGC-GXFFZTMASA-N 311.357 1.926 10 10 DDCE CCOC(=O)C1=CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 862879192 RITSVMJYAHMGNQ-UKOWJOKBSA-N 317.341 1.879 10 10 DDCE C[C@@H]1C[C@H]1NC(=N)NCc1ccc(N2CCOCC2)c(F)c1 864454867 XKIZZKWXYOUVGN-BXUZGUMPSA-N 306.385 1.685 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2nccn2c1 774147742 FCPATJZMSCRFHI-UHFFFAOYSA-N 324.340 1.637 10 10 DDCE COC(=O)c1c(CN(C)CCC(N)=O)c2cc(F)ccc2n1C 894755904 XSCZQMSESGJZBM-UHFFFAOYSA-N 321.352 1.411 10 10 DDCE COC[C@H](CO)NCc1c(C(=O)OC)n(C)c2ccc(F)cc12 894616189 FFQVHGLTONWCFT-NSHDSACASA-N 324.352 1.201 10 10 DDCE Cn1cnc(/C=C\C(=O)N2CC(=O)Nc3cc(F)c(F)cc32)c1 1134041831 MNSMJTRANKFDBN-IHWYPQMZSA-N 318.283 1.697 10 10 DDCE Cn1cc(-c2cncc(C(=O)NCc3cccc(O)c3O)c2)cn1 1153791815 KULBNLFCYZMMAW-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE CO[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1329395293 FZUVVJHZLLJLGJ-CYBMUJFWSA-N 318.373 1.262 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)[C@@H]2CCCN2C)cc1C 1265758800 KCCHLFZBTFKXSQ-ZBFHGGJFSA-N 319.449 1.692 10 10 DDCE COC(=O)c1ccc(CNC(=O)c2ccc(C)c(O)c2O)cn1 1294282440 MLWWUPKYVCNACZ-UHFFFAOYSA-N 316.313 1.518 10 10 DDCE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C1CC1 1295539102 OQGQCEJAHMAIPO-SECBINFHSA-N 317.349 1.494 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cccnc1-n1cccn1 1456236889 RGZYBTBZXWAYSY-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1nsnc1O 1469105281 YFNRULJFEVEFRU-SNVBAGLBSA-N 320.418 1.979 10 10 DDCE CC(C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccnn1C 1616310545 BLDQGRDZYZNJEM-ZDUSSCGKSA-N 317.389 1.930 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)Cc2cc[nH]n2)cc1C 1480438970 NABDBPNZVAUKLU-ZDUSSCGKSA-N 316.405 1.564 10 10 DDCE NC(=O)[C@@H]1Cc2ccccc2N(C(=O)c2cc(O)cs2)C1 1627998711 BQGYNMQMKLRFAT-SNVBAGLBSA-N 302.355 1.758 10 10 DDCE C[C@H](NC(=O)c1cc2n(n1)CCC[C@@H]2O)c1ccccc1O 1632255104 LQFYHXAKNSPHOO-BONVTDFDSA-N 301.346 1.907 10 10 DDCE CC(C)(NC(=O)Cc1ccc(O)c(O)c1)C(=O)N1CCCC1 1635100817 ZNTOIXAWVWZFHS-UHFFFAOYSA-N 306.362 1.158 10 10 DDCE CC(=O)c1cncc(C(=O)NCCc2ccc(O)c(O)c2)c1 1631516868 MBYOFSPMSMALBP-UHFFFAOYSA-N 300.314 1.668 10 10 DDCE C[C@H]1CN([C@H](C)CNC(=O)Cc2ccc(O)c(O)c2)C[C@@H](C)O1 1640263909 YFMGQLHTUNSYLW-UPJWGTAASA-N 322.405 1.254 10 10 DDCE CCC[C@@H](C(=O)N[C@H](C)c1ccccc1O)S(N)(=O)=O 1587447166 KRTFMBIFJFKOOT-SKDRFNHKSA-N 300.380 1.027 10 10 DDCE COC(=O)[C@H](C)N1C(=O)/C(=C\c2cccnc2)SC1=S 5846123 MEOXVEMODSLSCU-QMEHYBMDSA-N 308.384 1.844 10 10 DDCE Nc1ccc(CC(=O)N2CCCN(c3cccnn3)CC2)cc1 167870259 LNFPOWWVOXRGDV-UHFFFAOYSA-N 311.389 1.340 10 10 DDCE Nc1ccc(Cc2ccc(NC(=O)[C@@H]3C[C@H](O)CN3)cc2)cc1 1866039651 BGZFWKCQGLQNLF-IRXDYDNUSA-N 311.385 1.521 10 10 DDCE O=C(NCCNOCc1ccccc1)c1cccc(O)c1O 1928093783 HPETZZCMXAVIIM-UHFFFAOYSA-N 302.330 1.549 10 10 DDCE CCOC[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(C)C 233741496 DSHPFUIGCONFBS-CQSZACIVSA-N 300.424 1.749 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NCc1cccc(O)c1O 1937555114 ZRSQERJVJMITIE-NEPJUHHUSA-N 324.377 1.480 10 10 DDCE C[C@@H](ONC(=O)OC(C)(C)C)[C@H](N)Cc1ccc(O)c(O)c1 1952842016 XMNWQYOUXMHHMM-MWLCHTKSSA-N 312.366 1.812 10 10 DDCE CCO[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@H](N=[N+]=[N-])CC1 2155562415 FXTLALQTBFQPIV-QJPTWQEYSA-N 302.400 1.353 10 10 DDCE CC(C)(C)S(=O)(=O)C[C@](C)(NCCCN=[N+]=[N-])C(=O)O 2170540839 WFIISJGEHPTLCG-NSHDSACASA-N 306.388 1.333 10 10 DDCE C[C@@]1(Br)C[C@@H]1C(=O)NCc1c(O)cc(O)cc1O 2065057459 SYRUAFULHKJJIE-PRHODGIISA-N 316.151 1.593 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3OC[C@@H](CO)[C@@H]3C2)cc1Cl 2178087128 PGBCOQGPNGPWIL-BFVZDQMLSA-N 300.761 1.381 10 10 DDCE CNCc1ccc(N2C[C@H](F)[C@@H](CO)C2)cc1Br 2057012085 GXLIVOHDLKYZFN-MFKMUULPSA-N 317.202 1.935 10 10 DDCE Cc1cccc(CNS(=O)(=O)c2ccsc2CO)c1O 2204627185 SSCIFFHHUCSWCH-UHFFFAOYSA-N 313.400 1.733 10 10 DDCE COc1ccc(Br)c(CN2CC(CN)C2)c1O 2214883327 UIHAGPOWBDEJIF-UHFFFAOYSA-N 301.184 1.554 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)cc1Cl 2205603613 WSZUMXBITBTIID-ULTHFGNCSA-N 302.777 1.500 10 10 DDCE COc1ccc(Br)c(CNC[C@@H]2C[C@@H]2CO)c1O 2220462118 HDTLCBYAURRHMJ-DTWKUNHWSA-N 316.195 1.881 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2cnc(O)s2)s1 2257094429 SQRWAQUONIMWMG-UHFFFAOYSA-N 323.446 1.506 10 10 DDCE COCCN(C[C@@H](C)O)c1ccc(CN)cc1Br 2259718491 HMMXNYCSCLNAMH-SNVBAGLBSA-N 317.227 1.741 10 10 DDCE CSc1ncc(CN=c2[nH]c(=N)[nH]c(C)c2[N+](=O)[O-])s1 2284708275 BBRLBPJABHNCLC-UHFFFAOYSA-N 312.380 1.318 10 10 DDCE CC(C)(C)N1C[C@H](NC(=O)C=Cc2ccc(O)c(O)c2)CC1=O 2308001846 UVLTXIWWVAUNHA-GFCCVEGCSA-N 318.373 1.627 10 10 DDCE CS(=O)(=O)N[C@@H]1CCN(Cc2c(O)ccc3ccccc23)C1 116869227 JXLOHLAPBMYEJH-CYBMUJFWSA-N 320.414 1.669 10 10 DDCE COc1ccc(CCNC(=O)c2cc(O)nc(O)c2)cc1OC 170223083 ANWUGCXBEMOHOI-UHFFFAOYSA-N 318.329 1.483 10 10 DDCE C[C@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc2c(cc1O)CCC2 172407808 CWLXYYZLUHWORR-NWDGAFQWSA-N 309.431 1.888 10 10 DDCE O=S1(=O)CCN(c2c(F)cc(CNC3CC3)cc2F)CC1 62711068 KTVQBORIRWFPQG-UHFFFAOYSA-N 316.373 1.452 10 10 DDCE O=C1C[C@@H](c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c21 4096948 USQXPEWRYWRRJD-LBPRGKRZSA-N 304.254 1.921 10 10 DDCE biogenic,in-vitro COc1cccc(CNC(=O)[C@H]2CCCc3[nH]ncc32)c1O 136616043 FINSFPYIDCPWCD-NSHDSACASA-N 301.346 1.860 10 10 DDCE COc1ccc(CNN(C)S(=O)(=O)C2CCC2)c(O)c1 2365276271 GMNHMYFDSOEVDU-UHFFFAOYSA-N 300.380 1.220 10 10 DDCE COc1cc(O)c(CN2CCO[C@H](C(F)F)C2)cc1OC 193435408 NHQYFEOSBWMSDO-ZDUSSCGKSA-N 303.305 1.875 10 10 DDCE CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(OC)ccc1O 372280635 FMOLOLLQUKKFKH-UKRRQHHQSA-N 323.389 1.943 10 10 DDCE Cc1nc([C@H]2CCN(Cc3cc4c(cc3O)OC[C@H]4O)C2)no1 905681757 ISCUTFXXDRJXQL-IINYFYTJSA-N 317.345 1.499 10 10 DDCE C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)C(C)(C)C 846725439 YRWFVCQEQPJGPT-GFCCVEGCSA-N 305.422 1.920 10 10 DDCE C[C@H]1CCNC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 841832833 UXAYICJOUFYDMZ-YOEHRIQHSA-N 314.433 1.860 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NCC[C@H]2CCNC2)c1 841938011 FHPSEULHOZUPRP-NWDGAFQWSA-N 307.394 1.761 10 10 DDCE CN(C)C(=O)N1CCC(C(=O)NCc2c(O)cccc2F)CC1 928711828 LMNJSWOLOATVPG-UHFFFAOYSA-N 323.368 1.541 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CCOC[C@@H]3C)C2)cc1 852448759 MHJJKVAIAZOZAJ-KBPBESRZSA-N 319.405 1.704 10 10 DDCE CCOc1cccc(NC(=S)NNc2nnc(C)n2C)c1 863205734 KPMMOEBJMUBEMB-UHFFFAOYSA-N 306.395 1.836 10 10 DDCE CC[C@@H](NC[C@@]12COCCN1C(=O)COC2)c1ccccc1O 866551816 CNHAJQKTCHAJTQ-PBHICJAKSA-N 320.389 1.061 10 10 DDCE CN(C/C=C\c1ccc(N(C)C)cc1)CCNS(C)(=O)=O 1117783068 VDPMZSYQIOORLE-WAYWQWQTSA-N 311.451 1.247 10 10 DDCE CC(=O)OCC(C)(C)CC(=O)NCCc1ccc(O)c(O)c1 779384972 PVOHDVRNEGIZFH-UHFFFAOYSA-N 309.362 1.736 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2C[C@@]2(CO)C1 782970487 CZBFKWDQJSBXOX-YOEHRIQHSA-N 303.406 1.585 10 10 DDCE COc1cc(O)c(CNCc2nc(CSC)n[nH]2)cc1OC 895818998 UVJHXMGAXROELU-UHFFFAOYSA-N 324.406 1.680 10 10 DDCE CCOC(=O)[C@H](NC(=O)c1cccc(O)c1O)[C@H]1CCCOC1 1138143191 CVUSMGBEYJYFDE-GXFFZTMASA-N 323.345 1.186 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 1141350224 WKXKCOFZGHROAL-IRXDYDNUSA-N 303.358 1.810 10 10 DDCE O=S1(=O)CCC[C@]12CCN(c1ccc(CO)cc1Cl)C2 709028842 RCOCOJGPMJKQTG-CQSZACIVSA-N 315.822 1.990 10 10 DDCE CCN1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1=O 791038938 OZWWPNKXVPVRMF-GFCCVEGCSA-N 304.394 1.645 10 10 DDCE COc1ccnc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c1 1151958140 ALEVYBXTIUXJAG-HYXAFXHYSA-N 300.314 1.831 10 10 DDCE NC(=O)NCc1ccc(C(=O)NCc2c(O)cccc2O)cc1 1156881053 NISJDCRYTDHZJJ-UHFFFAOYSA-N 315.329 1.196 10 10 DDCE CN1C(=O)COc2ccc(C(=O)NCc3ccccc3O)cc21 1150536303 NTVIYKSGNVIMPU-UHFFFAOYSA-N 312.325 1.677 10 10 DDCE C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1F 1321920080 ASXXTFQTQQWEIM-WFASDCNBSA-N 321.396 1.575 10 10 DDCE O=S1(=O)C[C@H]2[C@H](CNCc3cccc(Cl)c3O)[C@H]2C1 2117982647 QVRMEGMSFVCUHR-RTCCRHLQSA-N 301.795 1.426 10 10 DDCE CN1C[C@@H]2CC[C@H](NC(=O)NCc3c(O)cccc3F)[C@H]2C1 1351848479 LLBLMMVBPKVDLH-JKOKRWQUSA-N 307.369 1.671 10 10 DDCE CS(=O)(=O)c1sccc1C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912206302 JDKOIEXZMYUUMX-MRVPVSSYSA-N 314.392 1.924 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCOC2(CCOCC2)C1 1451823293 RFVBJOXXPVFJNR-CYBMUJFWSA-N 321.373 1.485 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](c2ncccn2)C1 1472055603 UAPXLHLJVKSGRW-MASHWEEQSA-N 311.341 1.917 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3nsnc3O)C2)cc1 1470019605 HXVDSUBEDZAIAL-VIFPVBQESA-N 320.374 1.261 10 10 DDCE C/C=C(\C)C(=O)NC[C@H](O)CNCc1ccc(OC)c(C)c1 1482717818 CNDQNLLVUNOOKR-FDYAIDJWSA-N 306.406 1.537 10 10 DDCE CC(C)N1C(=O)CN(C(=O)Cc2ccc(O)c(O)c2)CC1(C)C 1630231548 SGGSXBZBNQIWIX-UHFFFAOYSA-N 320.389 1.498 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)COC[C@@H]1CCCO1 1640260200 VMHNPERFFPFMPD-LBPRGKRZSA-N 314.378 1.690 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1ccc(S(C)(=O)=O)nc1 1588156166 NMZUVRXQTHNMAQ-UHFFFAOYSA-N 320.370 1.463 10 10 DDCE O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1CCC[C@@H]1O 161276405 KGQOMYOJFZLOAX-BRBWODKKSA-N 316.401 1.566 10 10 DDCE CC(C)NC(=O)[C@@H]1COCCN1c1ccc(CN)cc1Cl 159329181 KDFJWGLXDVPMJV-AWEZNQCLSA-N 311.813 1.529 10 10 DDCE CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N=[N+]=[N-])C1 1885562338 DSHZEEQZIIQJFL-VIFPVBQESA-N 315.399 1.764 10 10 DDCE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCN=[N+]=[N-] 1885557142 KTDDCRADWUZUGE-VIFPVBQESA-N 301.347 1.295 10 10 DDCE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCc1ccc(N)cc1 1993312199 NVUNNWQUQSBCQY-ZDUSSCGKSA-N 323.393 1.161 10 10 DDCE C[C@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)C[C@H]1F 2152807751 UDTIJEHKKSMLLT-GXFFZTMASA-N 302.371 1.267 10 10 DDCE CO[C@](C)(CO)CNCc1cc(Br)ccc1O 702532647 SZDRCVZRNYGJGV-LBPRGKRZSA-N 304.184 1.642 10 10 DDCE C[C@@H]1CN(c2ccc(CN)c(Br)c2F)C[C@H]1O 387550826 BUWYTBIVYOEIMH-GMSGAONNSA-N 303.175 1.864 10 10 DDCE NCc1cc(F)c(N2C[C@H]3C[C@@H](O)[C@H](O)[C@H]2C3)cc1Cl 2177388466 PMRDIJCZYJJVPF-HTXXDJJVSA-N 300.761 1.258 10 10 DDCE C=CS(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 2043942968 GCOCEPVHGYQYEH-UHFFFAOYSA-N 310.784 1.597 10 10 DDCE NCC[C@H]1CN(Cc2ccc(Br)cc2O)CCO1 2055859577 LWGFEUKWOBIYFC-LBPRGKRZSA-N 315.211 1.704 10 10 DDCE N=c1nc(OCCc2ccc(N)cc2)cc(Br)[nH]1 2064994765 IZTWMABAEAXIAL-UHFFFAOYSA-N 309.167 1.855 10 10 DDCE CSc1ncc(CN[C@H]2CN(C(C)(C)C)C[C@H]2O)s1 2269094518 IOQBAYHCSPKTMB-WDEREUQCSA-N 301.481 1.798 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CC[C@@H](CN)OC2)s1 2269085104 FJUZQFLSZZDTTK-BDAKNGLRSA-N 301.437 1.235 10 10 DDCE CSc1ncc(CNC(=O)N2CCC[C@H](C(=O)O)C2)s1 2284498848 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10 DDCE Nc1ccc(NC(=O)NCCN2C(=O)c3ccccc3C2=O)cc1 217282068 RQWPPLKVUXOVFI-UHFFFAOYSA-N 324.340 1.687 10 10 DDCE COc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(C)C1=O 33285944 XWEYARIRHZQTIY-LCYFTJDESA-N 310.309 1.940 10 10 DDCE CCn1cc(S(=O)(=O)N(C)Cc2ccccc2O)c(N)n1 40335365 PFGWOQNNWSUBMH-UHFFFAOYSA-N 310.379 1.012 10 10 DDCE COC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 249202241 REWPXNGSRPPYGF-QAPCUYQASA-N 320.433 1.759 10 10 DDCE CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCc1ccc(N)cc1 372572124 OFKSTOHAEQJICZ-IIDMSEBBSA-N 317.433 1.460 10 10 DDCE CCc1nc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(C)o1 803912874 KFYOJYGGUWEIDY-UHFFFAOYSA-N 305.286 1.996 10 10 DDCE OCCN1CCCC[C@H]1CNCc1cc2c(cc1O)OCO2 824583739 POMRSAVAYNJPOB-ZDUSSCGKSA-N 308.378 1.057 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)[C@H](O)C1CCC1 825394146 SQSLHPFCNJAKDT-MRXNPFEDSA-N 304.390 1.300 10 10 DDCE C[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C1CCOCC1 832267418 RSUSVJWADLBBRX-SUMWQHHRSA-N 319.449 1.931 10 10 DDCE O=C(N[C@@]1(CO)CCOC1)c1cc2cc(O)c(O)cc2s1 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SDEDOGOSPUVGAP-UHFFFAOYSA-N 321.720 1.175 10 10 DDCE CN1CCCc2cc(CNC(=O)N3CC[C@@]4(O)C[C@H]4C3)ccc21 1328553993 XUOGSFMPQRIIPD-MAUKXSAKSA-N 315.417 1.735 10 10 DDCE C=CC(=O)N(CC)CC(=O)NCc1ccc2cccnc2c1O 1299725208 KFHOLWQZYQJEGW-UHFFFAOYSA-N 313.357 1.591 10 10 DDCE CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C 1464521328 STSMSXCSLAYPNV-HUUCEWRRSA-N 316.401 1.884 10 10 DDCE Cn1nccc1[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1634989939 XZEXVJBACOMNMP-ZDUSSCGKSA-N 315.373 1.780 10 10 DDCE CSCC[C@H](NC(N)=O)C(=O)N1CCC(N=[N+]=[N-])CC1 1912152311 RHKSPBIVIDOHOJ-VIFPVBQESA-N 300.388 1.078 10 10 DDCE COc1cnc(C(=O)NCc2ccc3cccnc3c2O)nc1 1643284411 DCUXCUDITNMMSN-UHFFFAOYSA-N 310.313 1.669 10 10 DDCE CCCC(=O)NC[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1579295581 IWTDZOFSQOHBGA-JTQLQIEISA-N 309.366 1.133 10 10 DDCE NCc1cc(F)c(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c(F)c1 2151272112 JNSRQOPBHGKZIW-SKDRFNHKSA-N 302.346 1.047 10 10 DDCE C[C@H](ON)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1951992232 FSDGKWSGJQRVPL-GXSJLCMTSA-N 312.366 1.812 10 10 DDCE O=C1CCCN[C@H]1c1cc(I)ccc1O 1952449528 RRDQGVJCNFWGRR-NSHDSACASA-N 317.126 1.990 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1COCCN(Cc2ccc(N)cc2)C1 1977925506 KUDBPLTZTLAGNA-HNNXBMFYSA-N 321.421 1.994 10 10 DDCE CCOC(=O)CCCS(=O)(=O)N1CCC[C@@H]1CN=[N+]=[N-] 2178729103 HOQFTFSAIPUHEO-SNVBAGLBSA-N 304.372 1.434 10 10 DDCE COc1ccc(O)c(CN(C)CC(C)(C)S(C)(=O)=O)c1 713912299 ZWKMQSXIQGKKJP-UHFFFAOYSA-N 301.408 1.656 10 10 DDCE CCCN1CCC[C@H]1CNC(=O)c1cnn2c(O)cc(C)nc12 2064213550 PERJJNLPPBOGOU-LBPRGKRZSA-N 317.393 1.348 10 10 DDCE C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(F)c1 2170278525 TYWDYAGXJSVTNI-AXFHLTTASA-N 300.399 1.857 10 10 DDCE N[C@H]1C[C@@H](O)CN(Cc2cc(Br)cc(F)c2O)C1 2049114475 RZLLGZDHYDDGQH-VHSXEESVSA-N 319.174 1.188 10 10 DDCE CCn1nnnc1CNCc1cc(Br)ccc1O 2050237873 JWNIXPMCDIZAQS-UHFFFAOYSA-N 312.171 1.451 10 10 DDCE C[C@]1(O)CCN(c2ccc(CN)cc2Br)C[C@H]1O 2077302504 RCOLYFBLBAAALS-OLZOCXBDSA-N 315.211 1.230 10 10 DDCE CN(CC1(S(C)(=O)=O)CC1)c1ccc(CO)cc1Cl 2111536444 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COc1cc(Cl)c(N2C[C@@H](CO)[C@@H](CO)C2)c(OC)c1 2368115635 BXQDHOUAVCUQQB-AOOOYVTPSA-N 301.770 1.394 10 10 DDCE COc1cc([N+](=O)[O-])cc([C@H]2N[C@H](C(=O)O)CS2)c1O 83236635 QIQUZHIOEYWBAH-XVKPBYJWSA-N 300.292 1.097 10 10 DDCE Cc1cc(I)cc([C@H]2CNCCN2)c1O 238547054 YUOHZXDBHPHVDD-SNVBAGLBSA-N 318.158 1.539 10 10 DDCE C[C@H](NCc1cc(Br)ccc1O)C(=O)NC1CC1 235520827 ATRPPWGXHZBPOP-QMMMGPOBSA-N 313.195 1.911 10 10 DDCE COc1cc(O)c(CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)cc1OC 249464624 GTSGLFRVCCCKBK-UIJOTWQESA-N 305.374 1.611 10 10 DDCE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CC1=O 374200950 GOCZDNMUXRYUKR-XBFCOCLRSA-N 317.389 1.543 10 10 DDCE COc1cc(Br)cc(CN(C)[C@@H](C)CO)c1O 809743150 SFKFWILVYRLSOZ-QMMMGPOBSA-N 304.184 1.976 10 10 DDCE COC[C@H](CCCN)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 818616123 TWNNOTHCUDTTGS-HOTGVXAUSA-N 321.465 1.865 10 10 DDCE COC1CCN(c2ccc(CN3C[C@H]4CNC[C@@H]4C3)cc2)CC1 827457702 DPPXYWMIDMKXJD-IAGOWNOFSA-N 315.461 1.953 10 10 DDCE COC(=O)[C@H]1C[C@@]1(N)c1cc(Br)cc(F)c1O 1952829485 LUTUEUJZWNVVKJ-RDDDGLTNSA-N 304.115 1.641 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@H]1NCc1cc(Cl)cc(C)c1O 826986208 QZOHVRODYOKYAW-VXGBXAGGSA-N 319.810 1.256 10 10 DDCE CN1CCN(c2ccc(CNCc3cc(N)ccn3)cc2)CC1 903950647 PNQSUMSZETYFHW-UHFFFAOYSA-N 311.433 1.705 10 10 DDCE CN(CCCn1ccnc1)C(=O)/C=C\c1ccc(O)c(O)c1 588408287 AXPVUGAQFYZCLX-XQRVVYSFSA-N 301.346 1.856 10 10 DDCE CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)[C@]1(O)CCOC1 844042553 VUNICGGAOYPGNT-YXMMZVCTSA-N 321.373 1.405 10 10 DDCE C[C@H]1CCNC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 841832832 UXAYICJOUFYDMZ-WMLDXEAASA-N 314.433 1.860 10 10 DDCE OCC1CCN(c2ccc(CNC3=NCCCCN3)cc2)CC1 849215460 KPMZJCSBIQPFLM-UHFFFAOYSA-N 316.449 1.724 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](CN)[C@H](c2cc(O)c(O)c(O)c2)C1 687749433 ZIMDZGXSDUIWSG-MNOVXSKESA-N 324.377 1.713 10 10 DDCE CC[C@@H](NC[C@]1(OCCO)CCOC1)c1ccc(N(C)C)cc1 850506024 AWFSXFPBRBOMOX-QZTJIDSGSA-N 322.449 1.961 10 10 DDCE C[C@@H]1[C@@H](NC[C@H](N)c2ccc(N(C)C)cc2)C[C@H]2CC[C@H]1N2 925695960 YXJGZFJFSQRUJG-DUBCDFBXSA-N 302.466 1.871 10 10 DDCE CN(OCC(F)(F)F)C(=O)CNC(=O)c1cc(O)cs1 857427913 KXWQZNUDVBZZSQ-UHFFFAOYSA-N 312.269 1.136 10 10 DDCE COC[C@@H](CN1CCCN(c2ccc(OC)cc2)CC1)OC 851733261 PHIMXEJSKWKPAL-QGZVFWFLSA-N 308.422 1.869 10 10 DDCE COc1ccc(CNC(=O)N[C@@H]2[C@@H]3C[C@@H]4[C@@H]2OC[C@@H]4C3)c(O)c1 868907025 OFMADVNKQAKPKZ-LTDJIEQWSA-N 318.373 1.623 10 10 DDCE O=C(NC1CC1)N[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 760554118 YDWOWYDULFUPOP-MRXNPFEDSA-N 315.417 1.917 10 10 DDCE CCCS(=O)(=O)CC(=O)NCc1ccc2cccnc2c1O 862028237 VBXKTBUVMQJFRN-UHFFFAOYSA-N 322.386 1.381 10 10 DDCE CCS(=O)(CC)=NS(=O)(=O)N[C@@H](C)c1ccccc1O 867836101 FULUHFDBTFKBIM-JTQLQIEISA-N 320.436 1.795 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](C)CO3)CC2)cc1F 896899486 SKIJZYUYDQPGRP-MLGOLLRUSA-N 322.380 1.908 10 10 DDCE Cc1ccc(C(=O)N[C@@H](CO)Cc2cncs2)c(O)c1O 1149832881 LWXGVJHQSLCFKF-SECBINFHSA-N 308.359 1.196 10 10 DDCE C[C@@H](C(=O)NCc1cc(O)ccc1O)N(C)C(=O)OC(C)(C)C 1303225902 RMEWGESSGKNQPO-JTQLQIEISA-N 324.377 1.969 10 10 DDCE Cn1ncc(CCC(=O)Nc2c(Cl)ccc3nonc23)n1 1327091734 GNBNBYKRYYZPNQ-UHFFFAOYSA-N 306.713 1.576 10 10 DDCE CN(CCNC(=O)Cc1ccc(O)c(O)c1)Cc1ccccc1 1292057106 IGAOJKUIJTVLPM-UHFFFAOYSA-N 314.385 1.889 10 10 DDCE COc1ccc(CNC(=O)[C@@H]2CCCn3ncnc32)c(O)c1 1467471293 XGCOCSVYNBWPSQ-GFCCVEGCSA-N 302.334 1.186 10 10 DDCE CCO[C@@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1OC 1467342540 INKZNDRVXUVJKV-UPJWGTAASA-N 320.349 1.771 10 10 DDCE CCOc1cc(CN(CC)CCO)ccc1N1CCNCC1 212641373 BDKKJVFKJOJSCU-UHFFFAOYSA-N 307.438 1.309 10 10 DDCE CC(C)C(=O)NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1541008178 KXOHCRATJSTBTF-UHFFFAOYSA-N 320.389 1.404 10 10 DDCE CN1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1=O 1557524202 UADNDUCCLQUTPI-LLVKDONJSA-N 303.322 1.200 10 10 DDCE O=C(Cn1ccc2ccccc2c1=O)NCc1c(O)cccc1O 1645363007 ISMXQOBNGKTCNO-UHFFFAOYSA-N 324.336 1.729 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@]1([C@H]2CCCCO2)CCCO1 1651225240 BJDDHOVVWGNNIL-WBVHZDCISA-N 321.373 1.832 10 10 DDCE Cc1cc(OCCS(C)(=O)=O)ccc1N1CCC[C@H](N)C1 161706704 PABXOSWALCEANC-ZDUSSCGKSA-N 312.435 1.346 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H](NCc2ccc(O)c(O)c2O)C1 1938279400 GCMXRGWWANPOTK-XYPYZODXSA-N 324.377 1.949 10 10 DDCE CNCc1ccc(N2CCN(C)C(=O)C2)cc1Br 234447101 XOVNMRQCRSOVIU-UHFFFAOYSA-N 312.211 1.447 10 10 DDCE Cc1ccc(CN(C)S(C)(=O)=O)c(O)c1Br 1905180346 XJUUPPXKANMYSI-UHFFFAOYSA-N 308.197 1.855 10 10 DDCE Oc1cccc(Br)c1CNC[C@@H]1C[C@@H](O)CCO1 2036682097 OOEUHCBKZCSBQZ-UWVGGRQHSA-N 316.195 1.784 10 10 DDCE COc1cccc(O)c1CN[C@H](C)CS(=O)(=O)C(C)C 2170596192 DWJYNINYAVTHMF-LLVKDONJSA-N 301.408 1.702 10 10 DDCE CC(F)(F)CCNS(=O)(=O)CCOc1ccc(N)cc1 379174928 MSLSGNLDXSXZLW-UHFFFAOYSA-N 308.350 1.612 10 10 DDCE O=C(CNCc1cccc(Br)c1O)NCC1CC1 393094001 UWWMQPKFQHGLLN-UHFFFAOYSA-N 313.195 1.771 10 10 DDCE NCc1ccc(N2CC(CS(=O)(=O)C(F)F)C2)c(Cl)c1 2173185585 OIORYRUPEDULTP-UHFFFAOYSA-N 324.780 1.872 10 10 DDCE O=S(=O)(C[C@H]1N[C@@H]2CC[C@H]1C2)Nc1ccc(O)cc1Cl 2178659842 ONGQWSXVESZUBV-IGJMFERPSA-N 316.810 1.928 10 10 DDCE NCc1nn(Cc2cc(F)ccc2O)c(C(F)(F)F)c1N 2079184373 CBQMPTBTCAJKOZ-UHFFFAOYSA-N 304.247 1.836 10 10 DDCE Cc1cc(CN)ccc1N1CC(S(=O)(=O)C(F)(F)F)C1 2237659930 RHEACISFFOSKRV-UHFFFAOYSA-N 308.325 1.577 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H](F)C[C@H]2C(=O)O)s1 2284504104 JOWPDUPHCZUONY-SVRRBLITSA-N 319.383 1.572 10 10 DDCE CSc1ncc(CNC(=O)c2cc(C)nc(NN)c2)s1 2284730396 RCNWKMIYBKSVFG-UHFFFAOYSA-N 309.420 1.784 10 10 DDCE C[C@@H](O)CN(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1 2297786122 HKLQCSCRGLOEFH-CQSZACIVSA-N 304.390 1.376 10 10 DDCE CCOC(=O)CN1C(=O)CC(=Cc2ccc(N(C)C)cc2)C1=O 2320806321 IYCYPRQZJGMKCK-UHFFFAOYSA-N 316.357 1.458 10 10 DDCE O=C(O)[C@@]1(Sc2nccs2)CCCS(=O)(=O)CC1 2326902652 CJPYOZVMADMPOV-SNVBAGLBSA-N 307.418 1.657 10 10 DDCE CN(NCc1cc(Cl)ccc1O)S(=O)(=O)C1CCC1 2339770071 WJJGZMLPQHMWQK-UHFFFAOYSA-N 304.799 1.864 10 10 DDCE CC[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H](C)O1 301694148 OYDKTMDQLFXFTR-ZJUUUORDSA-N 321.333 1.929 10 10 DDCE O=C(Nc1c(Cl)ncnc1Cl)c1cc(O)nc(O)c1 236593368 HCCWAFHCQNEZCE-UHFFFAOYSA-N 301.089 1.842 10 10 DDCE C[C@H](CO)CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 123528664 SUUNKFVIYBNTCN-KBPBESRZSA-N 321.421 1.512 10 10 DDCE Nc1ccc(NC(=O)CS(=O)(=O)c2cccc(F)c2)cc1 94623382 KXJQEPQKPNMPHP-UHFFFAOYSA-N 308.334 1.820 10 10 DDCE C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1O 92977392 OOEXZRDGHNHGAV-PELKAZGASA-N 307.306 1.133 10 10 DDCE COC(=O)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 278312385 XDHZFYJSCVRLDK-SNVBAGLBSA-N 310.306 1.304 10 10 DDCE O=C1OC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCN12 378345481 KTERJKVJDWNZOW-INIZCTEOSA-N 317.389 1.160 10 10 DDCE C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC(=O)N1C 282208449 NUYXAXMZEYWVLF-NSHDSACASA-N 322.384 1.264 10 10 DDCE OCCO[C@]1(CNCc2cccc(Cl)c2O)CCOC1 826943036 UGJMAXBCIAPMGT-AWEZNQCLSA-N 301.770 1.303 10 10 DDCE COc1ccc(O)c(CNC(=O)C[C@@H]2CCOC[C@H]2OC)c1 825838650 DNWCGCSYNOHYKL-XHDPSFHLSA-N 309.362 1.459 10 10 DDCE CC(C)(CO)C(=O)NCc1cc(Br)ccc1O 848068845 PLHPIVDZAIIFPE-UHFFFAOYSA-N 302.168 1.789 10 10 DDCE C[C@@H]1CNC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 843126800 WMPNZQXNKQLUBE-DZGCQCFKSA-N 307.413 1.750 10 10 DDCE CC(=O)C(=O)COC(=O)c1c(C)c(=O)n(C)c2ccccc12 910191223 RLTDVMZNDNKEEY-UHFFFAOYSA-N 301.298 1.162 10 10 DDCE COC(=O)CC(C)(C)CNC(=O)NCc1cc(OC)ccc1O 918745664 QOJRYMJZTFMHSQ-UHFFFAOYSA-N 324.377 1.789 10 10 DDCE O=C1CC[C@H]2CN(Cc3cc4c(cc3O)CCC4)CC[C@@H]2N1 853556006 UXZIVBUGBFGDSA-HOCLYGCPSA-N 300.402 1.981 10 10 DDCE COc1cc(O)c(CNC[C@@H](C(=O)O)C2CCC2)cc1OC 854247954 LJXAFUIMLWPYLH-GFCCVEGCSA-N 309.362 2.000 10 10 DDCE CCOC(=O)[C@@H](CC(=O)NCc1c(O)cccc1F)C(C)=O 928706986 ZIMNTUYDBMPVQY-JTQLQIEISA-N 311.309 1.306 10 10 DDCE Nc1ccc(NC(=O)C(=O)N[C@@H](C2CC2)[C@@H]2CCCOC2)cc1 927919366 GRCVNRYONHFGKP-DOMZBBRYSA-N 317.389 1.529 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)C(C)(C)O)C2)cc1 854299752 KXVOVLAHJMBQRX-QWHCGFSZSA-N 321.421 1.733 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3nccnc3C)C2)cc1 855227539 XLLPTRONRYMHES-ZDUSSCGKSA-N 312.373 1.802 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](O)c1cccnc1 935945634 FDUHUCRIZQMNLF-AWEZNQCLSA-N 307.346 1.623 10 10 DDCE Cc1cc(Br)c(O)c(CNCc2cn(C)nn2)c1 782969831 YOENTHUNJQQTQU-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(N=NC(N)=O)cc1 1136290713 XAYPGNQVCVRDSF-MWLCHTKSSA-N 317.349 1.575 10 10 DDCE Cc1csc(=O)n1CCC(=O)NCc1c(O)cccc1O 1304051601 YCDDJDFNOJVHFI-UHFFFAOYSA-N 308.359 1.336 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043434 SSIKINQDWBCHFZ-DDHJBXDOSA-N 310.394 1.413 10 10 DDCE Cc1cc(CNC(=O)c2n[nH]c(O)n2)c(C)n1-c1ccccc1 1184118361 VFIROBHRVAKLNQ-UHFFFAOYSA-N 311.345 1.848 10 10 DDCE O=C(O)[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 1335465306 MUVSFHFIXCMOIX-HZPDHXFCSA-N 320.389 1.245 10 10 DDCE COCCn1cc(C(=O)NCc2cccc(O)c2O)c(C)n1 1349077744 CYWCXWCJYHVGMA-UHFFFAOYSA-N 305.334 1.179 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)NC2C[C@@H]3C[C@H]3C2)cc1 1345681989 ATKABJVQMHNUCM-STQMWFEESA-N 301.390 1.284 10 10 DDCE CCOc1cc(CN2CCC(=O)CC2)ccc1N1CCNCC1 212642256 IRJTWGPBQCECRX-UHFFFAOYSA-N 317.433 1.660 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](N2CCCC2=O)C1 1465067073 JTHUNQKWFVNUGJ-ZDUSSCGKSA-N 318.373 1.254 10 10 DDCE Oc1cc2c(cc1CN=c1[nH]ccnc1Br)OCO2 2121645224 XPAQDXBMGDIPIL-UHFFFAOYSA-N 324.134 1.707 10 10 DDCE COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H](O)C(C)C)C2)cc1C 1713947980 XFOZSIHQOAQRPL-BFYDXBDKSA-N 320.433 1.757 10 10 DDCE O=C(Cc1cncc(O)c1)NCc1ccc2cccnc2c1O 1630533097 VTBZRSRDIQWNST-UHFFFAOYSA-N 309.325 1.900 10 10 DDCE COCCOCCCCNS(=O)(=O)Cc1ccc(N)cc1 158818596 VDDKXHQQBNGAKJ-UHFFFAOYSA-N 316.423 1.131 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCN1c1nccs1 156139476 VZNMXXFZXOPTFI-NSHDSACASA-N 319.386 1.840 10 10 DDCE CN1CC[C@@]2(CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)C1 1270575387 LMXOVUBRJJZMEK-KRWDZBQOSA-N 304.390 1.585 10 10 DDCE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)N3CC(N=[N+]=[N-])C3)[C@H]21 1985094530 QCVCIBPWZPBEDV-GMTAPVOTSA-N 323.353 1.142 10 10 DDCE Cc1ncc(CN(C)S(=O)(=O)Cc2ccc(N)cc2)s1 40330742 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CC(C)[C@@H](CO)NC(=O)C=Cc1ccc(N2CCOCC2)cc1 2306222987 JHRYATHPBHIPQT-QGZVFWFLSA-N 318.417 1.670 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c(Cl)c1 2336469980 CRKZFCUIQIJXEK-FWDPORAESA-N 300.811 1.593 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CNCC[C@@H]2C)s1 2350653428 UHLPWAOBZDZTMA-QPUJVOFHSA-N 301.437 1.407 10 10 DDCE CNC(=O)c1cnn2c(O)c(Cc3ccccc3F)c(C)nc12 6200292 NAGZVOLHZULDPZ-UHFFFAOYSA-N 314.320 1.833 10 10 DDCE C=CC(=O)NCCC(=O)N1CCN(c2ccc(OC)cc2)CC1 178433249 IMEXUFMKYTYCEZ-UHFFFAOYSA-N 317.389 1.036 10 10 DDCE C[C@H](N)c1ccc(N(C)CCOCCO)cc1Br 306059136 WKZJJWULXFSNHM-JTQLQIEISA-N 317.227 1.914 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 301498990 VXUBYDPWQYHLMU-CSPWOOARSA-N 306.318 1.742 10 10 DDCE O=C(O)[C@H]1CCCN(c2ccc(CN3CCOCC3)cc2)C1 71702279 GDTCZEXZPAHOHB-HNNXBMFYSA-N 304.390 1.820 10 10 DDCE CC(=O)NC1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 189834535 RVLIYDYJRDKCFQ-UHFFFAOYSA-N 316.405 1.317 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cn[nH]c1 80048515 VZCRUEURWUSTEC-UHFFFAOYSA-N 319.340 1.707 10 10 DDCE Cn1nnc(Br)c1C(=O)CCc1ccc(N)cc1 236103864 QBQCRYURSKIMIJ-UHFFFAOYSA-N 309.167 1.975 10 10 DDCE COC[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1)OC 272642441 CXQNUKQYOBHWKC-WMLDXEAASA-N 308.422 1.835 10 10 DDCE COc1ccc(N(C)C(=O)c2c[nH]nc2[C@H]2CCNC2)cc1F 662638882 XNBXQPHRPOFCSE-JTQLQIEISA-N 318.352 1.911 10 10 DDCE C[C@@H]1CNC[C@H]1CCNCc1ccc(N2CCOCC2)c(F)c1 903974784 SRUPJBXZWDXFGC-GDBMZVCRSA-N 321.440 1.998 10 10 DDCE CCN(CC)c1ccc(CN2CCC[C@@](O)(CO)C2)cc1F 839160130 QRNWVIIUKVJOAQ-KRWDZBQOSA-N 310.413 1.991 10 10 DDCE COc1cc(O)ccc1NS(=O)(=O)N1CCC[C@@H](C)C1 901703549 IFKOWPMFYSGLBZ-SNVBAGLBSA-N 300.380 1.789 10 10 DDCE CO[C@@H]1C[C@H]1C(=O)N(CC(=O)O)Cc1cc(Cl)ccc1O 911360004 KHCVVJFBWPZBFH-ZYHUDNBSSA-N 313.737 1.494 10 10 DDCE Cn1cnc(CCCNC(=O)NCc2cc(Cl)ccc2O)n1 845276511 JCLKZKFITZHGPN-UHFFFAOYSA-N 323.784 1.606 10 10 DDCE C[C@H]1[C@@H](N)CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 841832865 VTQNNCFMYIUIIA-BBRMVZONSA-N 300.406 1.694 10 10 DDCE COCc1nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)n(C)n1 853800853 YMVAKKVHMPOCTI-UHFFFAOYSA-N 317.393 1.300 10 10 DDCE COc1ccc(CNC(=O)N[C@@H]2C[C@@H](C)n3ncnc32)c(O)c1 852478202 RJEQTZXGYSQLHK-BXKDBHETSA-N 317.349 1.498 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@@H](C)N)C2)cc1 854217435 NLSBSHAKBYXJLD-IDCJVQTKSA-N 319.449 1.616 10 10 DDCE CC(C)(C)OC(=O)N[C@@]1(c2ccc(O)cc2O)C[C@H]1C(=O)O 1952766147 WKMVUILCTPJPHH-ZUZCIYMTSA-N 309.318 1.922 10 10 DDCE CCOC(=O)C[C@H](C)CNC(=O)NCc1c(O)cccc1F 921690928 RDDLMWVJKWSXHA-JTQLQIEISA-N 312.341 1.920 10 10 DDCE CN1CCCc2cc(CNC(=O)N3CC[C@@H](F)[C@H](N)C3)ccc21 851655870 AOLWHIFLYCZMGU-HUUCEWRRSA-N 320.412 1.650 10 10 DDCE COc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2O)cn1 753023058 ZVYSEEONFOULPC-UHFFFAOYSA-N 316.285 1.875 10 10 DDCE Cc1cc(CC(=O)N[C@@H]2COC[C@H]2O)c(C)n1-c1ccccc1 854846572 QIKZNYINITVSGA-IAGOWNOFSA-N 314.385 1.513 10 10 DDCE CC(C)C(=O)N1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 768437949 KLTUQGCEZPPFIA-OAHLLOKOSA-N 320.389 1.118 10 10 DDCE C[S@@](=O)c1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1 771416558 HYAKYHVPWLCFKI-JOCHJYFZSA-N 319.382 1.808 10 10 DDCE Cc1ccc(C(=O)N2CCO[C@H](C(F)F)CC2)c(O)c1O 870646353 WHBRUBQOHDKNDU-JTQLQIEISA-N 301.289 1.902 10 10 DDCE COC(=O)c1cc(OCCc2ccnn2C)ccc1N(C)C 871682449 ZXKRJUDBUSFOKE-UHFFFAOYSA-N 303.362 1.894 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](O)c1ccc(C(F)(F)F)cc1 873480364 JDSCASQZWJEYQY-LLVKDONJSA-N 304.220 1.440 10 10 DDCE CC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773027501 WRJWOWAPSBECPB-ABAIWWIYSA-N 321.446 1.851 10 10 DDCE CNC(=O)C1(NCc2cc(Cl)cc(F)c2O)CCOCC1 895886100 YFUKQOLGGTVIML-UHFFFAOYSA-N 316.760 1.570 10 10 DDCE COc1cc(Br)cc(CN(C)CCCO)c1O 799740206 WYSCEBDTTFADFU-UHFFFAOYSA-N 304.184 1.978 10 10 DDCE C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1O 1151886007 QOGKJAHOMGVLHX-SNVBAGLBSA-N 317.301 1.340 10 10 DDCE Cc1cc(C(=O)N[C@H]2C[C@H](O)[C@H](O)C2)c(C)n1-c1ccccn1 1303827602 HJNOEVWTDIPSGX-XMQYKBBCSA-N 315.373 1.103 10 10 DDCE COCC(=O)NCCC(=O)NCc1c(O)ccc2ccccc12 1179032534 KVSGZYLBDQYJRC-UHFFFAOYSA-N 316.357 1.314 10 10 DDCE CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC[C@H](C)O 1267831577 RYOUXAGPWJEFIB-CMPLNLGQSA-N 321.381 1.328 10 10 DDCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1csc(C(F)(F)F)n1 1912193387 NVHJWPFJVORZEB-LURJTMIESA-N 308.289 1.978 10 10 DDCE Cc1nocc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 1628176752 PWTNDTPFMKZMJK-UHFFFAOYSA-N 311.319 1.312 10 10 DDCE C[C@](O)(CNC(=O)Cc1ccc(O)c(O)c1)c1cccc(F)c1 1558433144 OWGOTVYCCSBGQB-KRWDZBQOSA-N 319.332 1.803 10 10 DDCE CO[C@@H]1COCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 1636303592 WQBALWISZGOLHO-DGCLKSJQSA-N 320.349 1.630 10 10 DDCE CC1(C)OC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)O1 1635412676 RPBNFJXZSMGFCP-NSHDSACASA-N 306.322 1.730 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC12CCCN(CCC1)C2 1648168530 LUCMUZXFGHVLID-UHFFFAOYSA-N 304.390 1.633 10 10 DDCE COc1cccc(NC(=O)CN2C(=O)[C@H](C)SC2=S)c1 11635369 ISTFMPDFKQCKJO-QMMMGPOBSA-N 310.400 1.883 10 10 DDCE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCN=[N+]=[N-] 1885561024 LTLMRGLOPSIMAB-RKDXNWHRSA-N 301.347 1.029 10 10 DDCE C[C@@]1(NC(=O)C(F)(F)F)CCN(CCc2ccc(N)cc2)C1 1977895619 DEJMPWIPXQKETI-CQSZACIVSA-N 315.339 1.954 10 10 DDCE C[C@H](O)c1ccc(N(C)CCS(=O)(=O)N(C)C)cc1Cl 2151049652 JLECXPAAXDFWHB-JTQLQIEISA-N 320.842 1.721 10 10 DDCE CN[C@@H](C)c1ccc(N2CC[C@@H]2C(N)=O)cc1Br 2028927930 RZGMIVTYBCZRBG-QPUJVOFHSA-N 312.211 1.794 10 10 DDCE NCc1cc(F)c(N2CC[C@@H]3OCCO[C@@H]3C2)cc1Cl 2177389495 USCBLGWGBHYULW-UONOGXRCSA-N 300.761 1.932 10 10 DDCE CCCS(=O)(=O)C[C@](C)(O)[C@@H](NC)c1ccccc1O 2170548752 RLWMHWBJVKQWJM-KBPBESRZSA-N 301.408 1.229 10 10 DDCE CC(C)CNCc1ccc(N(C)C(CO)CO)cc1Cl 380327401 QDFYNNWLBCBPOQ-UHFFFAOYSA-N 300.830 1.875 10 10 DDCE C[C@@H](N)c1ccc(N2CC3(CNS(=O)(=O)C3)C2)cc1Cl 2176158425 RZNJOGMKXHSCJI-SECBINFHSA-N 315.826 1.099 10 10 DDCE COc1cc(Cl)cc(CN2CC[C@@H](CO)[C@@H](N)C2)c1O 2178869784 GQNXNXRPSANKRV-CABZTGNLSA-N 300.786 1.196 10 10 DDCE O=C1NCC[C@H]1CNCc1cc(Br)cc(F)c1O 2075987215 KMOCHKCVOQETHX-ZETCQYMHSA-N 317.158 1.520 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)[C@@H]1CC[C@@H](CO)C1 2101573310 ISCHWXOGPPPREJ-PSASIEDQSA-N 305.783 1.948 10 10 DDCE CN[C@@H](C)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1 2206699733 JMKFGCZJLTWXAP-VIFPVBQESA-N 304.362 1.793 10 10 DDCE CSc1ncc(CNC(=O)NC[C@H]2C[C@H]2C(=O)O)s1 2269122837 DJLDRNJEWOPSRH-HTRCEHHLSA-N 301.393 1.385 10 10 DDCE COc1cc(OC)c(N(C[C@H](C)O)C[C@@H](C)O)cc1Cl 2285868801 DQUACFIGDAMELP-AOOOYVTPSA-N 303.786 1.925 10 10 DDCE COc1cc(OC)c(N2CC[C@H](CO)[C@H](N)C2)cc1Cl 2285935928 KYVUQRNBOSGNPO-MWLCHTKSSA-N 300.786 1.503 10 10 DDCE COc1ccccc1C=C1SC(N2CCN(C)CC2)=NC1=O 2297312811 JQCXMOYZTWDLBV-UHFFFAOYSA-N 317.414 1.913 10 10 DDCE Cc1ccc(CN2CC[C@H](O)[C@H](O)C2)c(O)c1Br 2327623354 GSRKYFIEVZTDMZ-WDEREUQCSA-N 316.195 1.391 10 10 DDCE Cc1n[nH]c([C@H]2CN(Cc3ccc(N(C)C)cc3)CCO2)n1 180103924 UCMJBHJAUSXMRB-OAHLLOKOSA-N 301.394 1.753 10 10 DDCE CCCN(CC(=O)NC)c1ccc(CN)cc1Br 212981584 NNBAWONQUZIYNR-UHFFFAOYSA-N 314.227 1.870 10 10 DDCE COc1cccc(CNC(=O)/C=C/c2cncc(O)c2)c1O 182131597 VYMCCYVUHSZXFM-AATRIKPKSA-N 300.314 1.831 10 10 DDCE COc1cc(Cl)c(N2CCNC[C@H]2C(=O)O)c(OC)c1 2368109101 VPHGGGGIARGFNX-JTQLQIEISA-N 300.742 1.220 10 10 DDCE CCS(=O)(=O)CCCOC(=O)CCOc1ccc(N)cc1 86980205 OXUQGXSFNBDHTF-UHFFFAOYSA-N 315.391 1.406 10 10 DDCE NS(=O)(=O)C[C@@H]1CCCN(Cc2cccc(Cl)c2O)C1 271763552 ZKNKCKHWRAUXPM-SNVBAGLBSA-N 318.826 1.546 10 10 DDCE Cc1cccc(CN[C@H]2CCC[C@H]2CNS(C)(=O)=O)c1O 800541616 OIRKWJISGFOHPJ-JSGCOSHPSA-N 312.435 1.508 10 10 DDCE O=C(NCc1cc(Br)ccc1O)[C@@H]1CCCO1 804734676 WBAKFTKCHZMBOF-NSHDSACASA-N 300.152 1.950 10 10 DDCE O=C(NCc1ccccc1O)[C@@H]1CCc2nnc(C3CC3)n2C1 815833208 CEYATRWAJUNHSI-CYBMUJFWSA-N 312.373 1.740 10 10 DDCE C[C@]12COC[C@H]1CN(Cc1ccc(N3CCOCC3)cc1)C2 827283616 QWZKETKUGJKHBI-AEFFLSMTSA-N 302.418 1.992 10 10 DDCE COc1cc(O)c(CNC[C@H](OC)[C@H]2CCOC2)cc1OC 826822277 OZHWOERTOWERFH-ZBEGNZNMSA-N 311.378 1.551 10 10 DDCE COC(=O)CCCCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 832280098 MUHKVONMABWSBS-OAHLLOKOSA-N 321.421 1.602 10 10 DDCE O=C(NCc1c(O)cccc1F)NCc1nnc2n1CCCC2 914233166 FBQSQGGUZDDHII-UHFFFAOYSA-N 319.340 1.459 10 10 DDCE CCOc1cccc(CNC[C@@H]2CN(C3CC3)C(=O)O2)c1O 848578208 OINYUASZNCAACN-CYBMUJFWSA-N 306.362 1.864 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)NC/C=C/CN)cc1 846178784 YZHBDPFFIYTHKN-SNAWJCMRSA-N 306.410 1.288 10 10 DDCE COCC(=O)N1CCN(Cc2c(O)cc(C)cc2Cl)CC1 840909370 AMFZIYOGCFMJAI-UHFFFAOYSA-N 312.797 1.645 10 10 DDCE Cc1ccc([C@H](C)NC[C@H](O)CS(C)(=O)=O)c(O)c1C 927024937 MXPKEAKGTRCODC-RYUDHWBXSA-N 301.408 1.065 10 10 DDCE COC1(CNC(=O)NCc2c(O)cccc2F)CCOCC1 921578212 PCJMELRGAQMMRU-UHFFFAOYSA-N 312.341 1.526 10 10 DDCE CO[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 929536789 GCUKTUPQSACLIL-HZPDHXFCSA-N 304.390 1.517 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@@H](C)O)C2)cc1 854297698 RBBXSZGCMLNCKT-OLZOCXBDSA-N 307.394 1.296 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@H](O)C[C@H]2CO)cc1Br 698125426 DQDQWOXKESADSJ-DVVUODLYSA-N 316.195 1.434 10 10 DDCE C[C@@H]1NCC[C@H]1NC(=O)NCCCSc1nccs1 861609156 CYJGULPHYUGMIO-VHSXEESVSA-N 300.453 1.675 10 10 DDCE C[C@H](NC(=S)NCCCN1CCOCC1)c1ccccc1O 865269135 BAGPJRIYJGFGOD-ZDUSSCGKSA-N 323.462 1.640 10 10 DDCE COCCn1ccc(NC(=O)NCc2c(O)cccc2F)n1 930107979 VNDLKMXIUOGXKR-UHFFFAOYSA-N 308.313 1.696 10 10 DDCE COc1ccc2c(c1)CCCN2Cn1nc(CO)n(C)c1=S 766338604 BQPKDTHWUYQPSN-UHFFFAOYSA-N 320.418 1.862 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN(C)[C@@H]2CCN(C3CC3)C2)c1O 774877960 NURBKBYXBNCULC-CYBMUJFWSA-N 321.377 1.978 10 10 DDCE CC(=O)N1CC[C@@H](NC(=O)NCc2cccc(Cl)c2O)C1 895926859 BVPOHALGIVDQLA-LLVKDONJSA-N 311.769 1.466 10 10 DDCE Cc1nc(=NC(=O)Cc2ccc(O)c(O)c2)n(-c2ccccc2)[nH]1 1137177567 RYNQAGZNVSCZFB-UHFFFAOYSA-N 324.340 1.590 10 10 DDCE Cc1nonc1CNC(=O)NCc1c(O)ccc2c1CCCC2 1313235009 ZALCFGUDQFWVER-UHFFFAOYSA-N 316.361 1.962 10 10 DDCE O=[N+]([O-])c1cc(NS(=O)(=O)C[C@@H]2CCCO2)ccc1O 274757987 GJDKFLXUVCZLKF-VIFPVBQESA-N 302.308 1.221 10 10 DDCE C[C@@H](c1cc(Cl)ccc1O)N1CC[C@H](NS(C)(=O)=O)C1 705576488 IIMIACHQSRACQL-ONGXEEELSA-N 318.826 1.730 10 10 DDCE CC[C@H](CO)NCc1c(C(=O)OC)n(C)c2ccc(F)cc12 1332706584 WTGJNZQDSGLKEL-LLVKDONJSA-N 308.353 1.965 10 10 DDCE CN(C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccco1 1440560272 WBQWBNALCMZRGI-GFCCVEGCSA-N 304.346 1.652 10 10 DDCE Cn1ncc(CNC(=O)Cc2ccc(N)cc2)c1Br 2116558509 BGLUXTLHCAKYMV-UHFFFAOYSA-N 323.194 1.624 10 10 DDCE CCC(=O)N1CCCC[C@@H]1C(=O)NCc1cc(O)ccc1O 1455357156 PBBKHKPUJXXIIP-CYBMUJFWSA-N 306.362 1.505 10 10 DDCE O=C(Cn1cc(-c2ccccc2)nn1)NCc1ccc(O)cc1O 1469161411 ZPQHVMSPHXQWEX-UHFFFAOYSA-N 324.340 1.673 10 10 DDCE Nc1nccc(C(=O)N2Cc3cccc(O)c3C2)c1[N+](=O)[O-] 1471355838 XGIBKALPHJSVNP-UHFFFAOYSA-N 300.274 1.434 10 10 DDCE COC(=O)N[C@@H](CC(C)C)C(=O)NCc1c(O)cccc1O 1639292518 GJXLCRCPFIIXSX-NSHDSACASA-N 310.350 1.485 10 10 DDCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)c1nn[nH]n1 1630603868 ODHRSFPNNOXTDH-UHFFFAOYSA-N 324.344 1.696 10 10 DDCE CS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N)cc2)cc1 1866207583 MMQNMRXEBHWMRI-UHFFFAOYSA-N 304.371 1.854 10 10 DDCE CN1C(=O)c2ccc(NC(=O)Cc3ccc(N)cc3)cc2C1=O 390183949 RVPOVULQLSLVPA-UHFFFAOYSA-N 309.325 1.676 10 10 DDCE C[C@H](SCCS(C)(=O)=O)C(=O)Nc1ccc(N)cc1 111004389 AAKVEUOYVPUSKC-VIFPVBQESA-N 302.421 1.374 10 10 DDCE C[C@@H]1COC[C@H]([C@@H]2CCCC(=O)C2=O)N1C(=O)OC(C)(C)C 227198418 ZBDNXOBBULFSCV-GRYCIOLGSA-N 311.378 1.949 10 10 DDCE OCc1ccc(N2CC[C@H](O)[C@H](F)C2)c(Br)c1 1941014721 CWKVPRCKNHXJJU-PWSUYJOCSA-N 304.159 1.851 10 10 DDCE N[C@H](CCC(=O)O)c1cc(I)ccc1O 1951658127 QNCOHJUSJFGJHW-MRVPVSSYSA-N 321.114 1.861 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](N)C[C@H]1c1cc(O)c(O)c(O)c1 1952453096 UFAFRJGRHLHQNN-ZJUUUORDSA-N 310.350 1.813 10 10 DDCE CN1C[C@@H](c2cccc(NC(=O)OC(C)(C)C)c2O)NCC1=O 1952563494 ARHAVVMQOWLJJL-LBPRGKRZSA-N 321.377 1.842 10 10 DDCE Cc1nn(C)c(Br)c1C(=O)N(C)CCN=[N+]=[N-] 2013206508 CBADXLDYHRVBFU-UHFFFAOYSA-N 301.148 1.873 10 10 DDCE CN(Cc1cc(F)cc(F)c1O)C[C@H]1CCCS1(=O)=O 708434495 QRHDMLPKSZPSTI-LLVKDONJSA-N 305.346 1.679 10 10 DDCE CCN(CCS(C)(=O)=O)c1ccc([C@@H](C)NC)cc1F 688459008 WQRQGXLNQQXETN-LLVKDONJSA-N 302.415 1.977 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CCSC[C@H]3CO)c(Cl)cc21 388138711 OWDBIBYKAOMMQI-JMCQJSRRSA-N 313.810 1.206 10 10 DDCE O=C(O)c1cc(NS(=O)(=O)[C@H]2CCC[C@H]2F)ccc1O 2175558776 GHVVVUMDCMADJD-KOLCDFICSA-N 303.311 1.723 10 10 DDCE COC[C@@H]1CCCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2065064003 LZZGZRQNMCCDKO-LLVKDONJSA-N 304.350 1.242 10 10 DDCE CC1(CCNC(=O)c2ccn(-c3ccc(N)cc3)n2)OCCO1 2191651046 VPGMGXRBDBBDJA-UHFFFAOYSA-N 316.361 1.337 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CCOc1nnc(=N)[nH]n1 2210648619 XWOAGUCDYASVKS-VHSXEESVSA-N 324.385 1.141 10 10 DDCE O=C(N[C@@H]1CCCC2(CC1)OCCO2)c1ccc(O)c(O)c1 2095752155 ALQZSXTUMZHEFQ-GFCCVEGCSA-N 307.346 1.903 10 10 DDCE COc1ccc(N2C[C@H](OC)[C@H](OC)[C@@H]2CO)cc1Cl 2235226416 QEKMMSZMYZDBHL-FPMFFAJLSA-N 301.770 1.560 10 10 DDCE Cc1cc(N2CC(S(=O)(=O)C(F)F)C2)ccc1[C@@H](C)N 2285137990 RHMYMCVQZAODFS-SECBINFHSA-N 304.362 1.841 10 10 DDCE Cc1ccc(CNC[C@@H](O)CC(=O)O)c(O)c1Br 2327581507 AYYXVSXGVIXPJQ-VIFPVBQESA-N 318.167 1.388 10 10 DDCE CSc1ncc(CN[C@](C)(C(=O)O)[C@H]2CCOC2)s1 2350659328 SMYZOPFBNPJVFJ-UFBFGSQYSA-N 302.421 1.834 10 10 DDCE CNS(=O)(=O)c1ccccc1NCc1ccc(O)c(O)c1 37158531 NZUZCTJKFREDCA-UHFFFAOYSA-N 308.359 1.618 10 10 DDCE Cc1cc(NS(=O)(=O)N2CCC(C(=O)O)CC2)ccc1O 148140923 FJGNZYJMKYUJNU-UHFFFAOYSA-N 314.363 1.154 10 10 DDCE C[C@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@H](C)S1(=O)=O 811797031 GRJWPXCQSGAXNV-RYUDHWBXSA-N 309.431 1.888 10 10 DDCE COCC[C@H](COC)NC(=O)NCc1ccc(N(C)C)cc1 811809397 QNUPAZYZFZSJJO-CQSZACIVSA-N 309.410 1.603 10 10 DDCE Cc1cc(O)c(CNCCC2CS(=O)(=O)C2)cc1Cl 825651473 JNZASJOEVLYIDT-UHFFFAOYSA-N 303.811 1.878 10 10 DDCE CN1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc2cccnc2c1O 828635767 KGBNDAKSHGQMBI-CXAGYDPISA-N 315.373 1.012 10 10 DDCE CCN(CC)c1ccc(CN(C)C(=O)COCC(=O)O)cc1 844248353 LIOBUIBMMYSEIQ-UHFFFAOYSA-N 308.378 1.592 10 10 DDCE C[C@H]1CN(CCNC(=O)NCc2c(O)cccc2F)CCO1 915827505 IOJAZOPBKAWHKB-NSHDSACASA-N 311.357 1.051 10 10 DDCE CCN(Cc1cc(O)n2ncc(C(=O)O)c2n1)[C@H]1CCCOC1 846288805 DEZHLKQOADHLFV-NSHDSACASA-N 320.349 1.134 10 10 DDCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC(O)(CO)C2)c1 854672072 BTKVZMIUWQIMTF-UHFFFAOYSA-N 314.385 1.582 10 10 DDCE CC(C)CN1C[C@H](C(=O)NCc2c(O)cccc2F)CC1=O 928712857 ZOQYITKHVLSHKA-LLVKDONJSA-N 308.353 1.652 10 10 DDCE C[C@]1(C(F)F)CN(C(=O)c2c(F)ccc(O)c2O)CCO1 857342517 SPORZYCRHNNWSF-CYBMUJFWSA-N 305.252 1.733 10 10 DDCE COC(=O)N(C)CCN(C)C(=O)c1c(F)ccc(O)c1O 857327274 WCQKKKWMIJPDAH-UHFFFAOYSA-N 300.286 1.007 10 10 DDCE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1c1cccc(N)c1O 1953007790 DEGPPTKONPRBKH-NSHDSACASA-N 307.350 1.382 10 10 DDCE C[C@H](NC(=O)NCCC1CS(=O)(=O)C1)c1ccccc1O 868529007 VCTJEUUTEYBWEF-JTQLQIEISA-N 312.391 1.187 10 10 DDCE C[C@@H]1OCC[C@@]1(O)CNC(=O)c1cc2cc(O)c(O)cc2s1 897606203 NZFUTDCZCZVRRU-VXJOIVPMSA-N 323.370 1.582 10 10 DDCE C[C@@H]1CN(c2ccc(CN)c(Br)c2)C[C@H](CO)O1 300296450 XKPAKUIBHQGSPR-BXKDBHETSA-N 315.211 1.494 10 10 DDCE C[C@H](NC(=O)[C@@]1(C)CCC(=O)NC1)c1ccc(N(C)C)cc1 798501067 FRZWPSXPZIEOMW-SJCJKPOMSA-N 303.406 1.846 10 10 DDCE CCOC(=O)N(C)CCCC(=O)NCc1c(O)cccc1O 1156886014 ROOPAFXWJDJQQH-UHFFFAOYSA-N 310.350 1.583 10 10 DDCE Cc1cnc2nc(C(=O)NCc3cccc(Cl)c3O)nn2c1 1159041369 KFIOKUPMWGPVAD-UHFFFAOYSA-N 317.736 1.722 10 10 DDCE Cn1c(O)nc(N2CC=C(c3c[nH]c4ncccc34)CC2)cc1=O 1306923013 JUWSINSLXLYWLX-UHFFFAOYSA-N 323.356 1.656 10 10 DDCE CC[C@H]1[C@H](C)CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1329859609 PNVQBTLYWAUYQO-RISCZKNCSA-N 302.374 1.881 10 10 DDCE C[C@@H]1[C@@H](CO)CCN1CC(=O)NCc1ccc(N(C)C)cc1 1193898143 JKVGABNEWBMDHE-UKRRQHHQSA-N 305.422 1.072 10 10 DDCE C[C@H](NC(=O)CCCCCS(N)(=O)=O)c1ccccc1O 1454821073 VKGPEKHVDLYTLW-NSHDSACASA-N 314.407 1.418 10 10 DDCE Oc1ccc(Br)cc1CNC[C@H]1COC[C@H]1O 1948500757 GIVAVAVMVQKZQV-JOYOIKCWSA-N 302.168 1.252 10 10 DDCE COc1cccc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1 1466791313 RIXSEXBMVZNAPF-LLVKDONJSA-N 316.357 1.791 10 10 DDCE CO[C@@H](C(=O)NCc1c(O)cccc1O)C(=O)OC(C)(C)C 1472063305 GYFJRGVJRJIIST-LBPRGKRZSA-N 311.334 1.071 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCc1cccc([N+](=O)[O-])c1 1637785189 BZOKRNOKPRGVJK-UHFFFAOYSA-N 316.313 1.907 10 10 DDCE C[C@H]1CN(c2ccc(CO)c(Br)c2)CC(=O)N1C 1926024091 OBZXXEKIEYJUFL-VIFPVBQESA-N 313.195 1.608 10 10 DDCE C[C@H](C(=O)N1Cc2cccc(O)c2C1)n1cnc2c(N)ncnc21 1643169069 NXDUYQQRHQIIIJ-SECBINFHSA-N 324.344 1.218 10 10 DDCE C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)N1C(=O)Cc1ccc(O)c(O)c1 1640153676 ACSQQBUEOOFBPM-CKYFFXLPSA-N 306.362 1.141 10 10 DDCE O=C(Cn1ccc([N+](=O)[O-])n1)NCc1cc(Cl)ccc1O 1644590724 MGPXNZABHZMNFG-UHFFFAOYSA-N 310.697 1.467 10 10 DDCE CCS(=O)(=O)N(C)CCN[C@@H](C)c1cc(C)ccc1O 1926345376 OJHSMHUXOCHAJZ-LBPRGKRZSA-N 300.424 1.633 10 10 DDCE CC(C)C(=O)N1CCC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 157840287 JASVTIHJMLYQPC-CYBMUJFWSA-N 320.389 1.404 10 10 DDCE COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(O)c(O)c(O)c1 1865876157 VBHRKJMFCAXVRF-UHFFFAOYSA-N 320.257 1.973 10 10 DDCE CCNC(=S)N[C@H]1CCCN(CCOc2ccc(N)cc2)C1 586069491 BJMDGQPEVGXFKL-AWEZNQCLSA-N 322.478 1.596 10 10 DDCE C[C@H]1SCCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 1889198823 PNMDTSBZOLJBHE-ZWNOBZJWSA-N 300.449 1.972 10 10 DDCE CN(CCCCS(=O)(=O)O)Cc1ccc(N(C)C)cc1 2143517058 OEWVWXLCRQRUDT-UHFFFAOYSA-N 300.424 1.852 10 10 DDCE CS(=O)(=O)c1sccc1CNCc1ccc(O)cc1O 2150479270 UUJUYWGREYSTJH-UHFFFAOYSA-N 313.400 1.853 10 10 DDCE Nc1ccc(CCNS(=O)(=O)C[C@@H]2CC[C@H](F)C2)cc1 2150400242 XRBDVFXKBCXVMD-OLZOCXBDSA-N 300.399 1.869 10 10 DDCE N[C@H]1[C@@H]2CN(Cc3cc(Br)cc(F)c3O)C[C@H]12 2000280209 UTPCGDVMTYXYJC-JZYVYDRUSA-N 301.159 1.683 10 10 DDCE OCc1ccc(N2CCOC[C@H](CO)C2)c(Br)c1 2036965127 NMKZWLSJWIDCPU-NSHDSACASA-N 316.195 1.387 10 10 DDCE C[C@@H]([C@@H](C)N(C)CCOc1ccc(N)cc1)S(C)(=O)=O 2170630512 KGGIVWWHOXTHIA-NEPJUHHUSA-N 300.424 1.401 10 10 DDCE CC(=O)NC1CN(c2ccc([C@H](C)N)c(Br)c2)C1 723178369 ZFFLQLQSESZGIZ-QMMMGPOBSA-N 312.211 1.794 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN3CCOC[C@@H]23)c1 2064278677 WTCXFENVBIJUJW-LNSITVRQSA-N 320.389 1.299 10 10 DDCE CCOC1CC2(C1)C[C@H]2C(=O)NCc1c(O)cc(O)cc1O 2065049516 KGTQNHOQVPIHGV-YWFMTQBDSA-N 307.346 1.625 10 10 DDCE CO[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)C(F)(F)F 2197312684 LQGMATCBVGKIJU-JTQLQIEISA-N 312.313 1.266 10 10 DDCE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188920416 VIWSWGYURMZNEE-ONGXEEELSA-N 323.345 1.417 10 10 DDCE O=C1NCCN(c2ccc(CO)c(Br)c2)C12CC2 2068300710 BIZDJYSEXOSYPT-UHFFFAOYSA-N 311.179 1.410 10 10 DDCE Oc1ccc(Br)cc1CN1CCO[C@@H]2COC[C@H]21 2072492320 AJIWFDQXYIWHMY-DGCLKSJQSA-N 314.179 1.754 10 10 DDCE C[C@H](N)c1ccc(N2CCC2(CO)CO)cc1Br 2073913951 HIDVSYUXNDCUQF-VIFPVBQESA-N 315.211 1.402 10 10 DDCE CSc1ncc(CNS(=O)(=O)CC2CC(N)C2)s1 2256949588 RTFOOFIGGWKICC-UHFFFAOYSA-N 307.466 1.022 10 10 DDCE CCN1CCN(C2=NC(=O)C(=Cc3ccccc3O)S2)CC1 2296934922 MXVGPIGMEBUHIA-UHFFFAOYSA-N 317.414 2.000 10 10 DDCE CN(C(=O)/C=C/c1cnccn1)c1ccccc1S(C)(=O)=O 493564793 XOSFEMOVNXHSMQ-BQYQJAHWSA-N 317.370 1.556 10 10 DDCE CC(C)[C@@H]1C(=O)NCCN1C(=O)C=Cc1ccc(O)c(O)c1 2308000684 LJTJBHLQCOEBCL-OAHLLOKOSA-N 304.346 1.094 10 10 DDCE Cc1ccc(CNCC(F)(F)C(N)=O)c(O)c1Br 2327622263 WIVHMJRMAYHBEA-UHFFFAOYSA-N 323.137 1.673 10 10 DDCE CC(=CCN)C(=O)NCc1ccc(C)c(Br)c1O 2327800347 JHQMWMQCKYPZBS-UHFFFAOYSA-N 313.195 1.984 10 10 DDCE CC[C@H]1C[C@](NCc2cnc(SC)s2)(C(=O)O)CO1 2346019033 GXFZFTMQRSKJRG-QPUJVOFHSA-N 302.421 1.977 10 10 DDCE CC1CCN(c2ccc(CNC(=O)CNC(N)=O)cc2)CC1 108453801 ATOXHRQDYWXBIJ-UHFFFAOYSA-N 304.394 1.207 10 10 DDCE CCCOc1ccc(CN2CCO[C@H](C(=O)NC)C2)c(O)c1 182458538 WMWRJZSTAHKKQU-HNNXBMFYSA-N 308.378 1.128 10 10 DDCE Cc1ccc(S(N)(=O)=O)cc1NCc1ccc(O)c(O)c1 37135356 WWBVHSAZCROLIQ-UHFFFAOYSA-N 308.359 1.666 10 10 DDCE COC(=O)COc1ccc(N(C)Cc2nnnn2C(C)C)cc1 183792670 IKWFWYHPECSGGT-UHFFFAOYSA-N 319.365 1.442 10 10 DDCE CC(=O)NC1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 190184194 OXKVGSOYHRMDCV-UHFFFAOYSA-N 314.389 1.093 10 10 DDCE CCN(CCO)C(=O)c1cccc2c1C(=O)c1ccccc1C2=O 130025147 GSCZHMUFNNJVKS-UHFFFAOYSA-N 323.348 1.916 10 10 DDCE COc1ccc(O)c([C@@H](C)NS(=O)(=O)N2CCC[C@@H]2C)c1 248728563 PPCAQYDSQAFXTP-WDEREUQCSA-N 314.407 1.781 10 10 DDCE CNC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 398503937 NDIVAQMZMUUGTO-SNVBAGLBSA-N 310.781 1.816 10 10 DDCE CN(C)c1ccc(CN(C(=O)[C@H]2COC(=O)N2)C2CC2)cc1 294241771 FKAPWMGCLOXHGA-CQSZACIVSA-N 303.362 1.352 10 10 DDCE CCOC(=O)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 391230017 WIWIKRHWMKDHHA-OAHLLOKOSA-N 322.405 1.131 10 10 DDCE COC(=O)[C@@](C)(CCF)NCc1ccc(N2CCOCC2)cc1 827352880 SENRPAJLNBQMHY-QGZVFWFLSA-N 324.396 1.904 10 10 DDCE Cc1ccc(O)c(/C=C2/SC(=S)N(CC(=O)O)C2=O)n1 728910675 RTCWSNUSYDTERS-RUDMXATFSA-N 310.356 1.381 10 10 DDCE CC(C)(C)N1CC[C@](F)(C(=O)NCc2ccc(O)cc2O)C1 910944110 KUTYSFOWCNSCRL-MRXNPFEDSA-N 310.369 1.927 10 10 DDCE COC[C@H](CCN1C(=O)CN(Cc2ccccc2O)C1=O)OC 849356618 GALCDRDLJLCGIT-ZDUSSCGKSA-N 322.361 1.208 10 10 DDCE NCCCNC(=O)NCc1ccc(N2CCSCC2)cc1 841707743 YWRKBOSENKISRS-UHFFFAOYSA-N 308.451 1.388 10 10 DDCE CN(C)c1ccc(CNC[C@@H]2CN(C3CC3)C(=O)O2)cc1F 848576820 CDJZMDHOJNQYHH-CYBMUJFWSA-N 307.369 1.965 10 10 DDCE COC1(CS(=O)(=O)Nc2ccc(O)c(C)c2)CCOCC1 844657494 KCGSTWVWHNQSML-UHFFFAOYSA-N 315.391 1.638 10 10 DDCE O=C(Cn1ccnc1)NCc1ccc(N2CCC(O)CC2)cc1 856211688 ZEGKOZFOUZBAJC-UHFFFAOYSA-N 314.389 1.161 10 10 DDCE COc1ccc(O)c([C@H](C)NCC(=O)N2CCOC(C)(C)C2)c1 930217059 RNWRXPQBCYSQBI-LBPRGKRZSA-N 322.405 1.689 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CCON)Cc1ccc(O)c(O)c1 1951691975 SRURNQRUEBXIJI-LLVKDONJSA-N 312.366 1.814 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)S3)cc1 861514257 MNHLAFJPTYJODV-OLZOCXBDSA-N 305.403 1.704 10 10 DDCE C[C@@H](NC(=S)NCCN1CCOCC1)c1ccccc1O 865269638 UWDYYFZELMNNOY-GFCCVEGCSA-N 309.435 1.250 10 10 DDCE COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1cc(OC)ccc1O 862516650 WKTHKSKQEUMBQX-SWLSCSKDSA-N 323.389 1.849 10 10 DDCE COC(=O)[C@]1(O)CCN(Cc2cc(F)c(N(C)C)cc2F)C1 895701680 BXLQVPISRMTYJO-HNNXBMFYSA-N 314.332 1.141 10 10 DDCE C[S@](=N)(=O)N1CCN(Cc2cc(F)cc(F)c2O)CC1 895470868 PGOMPPSISNVJJY-HXUWFJFHSA-N 305.350 1.380 10 10 DDCE CC[C@@H]1[C@@H](C)CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1329859610 PNVQBTLYWAUYQO-SMDDNHRTSA-N 302.374 1.881 10 10 DDCE O=C1COc2cccc(C(=O)NCc3ccc(O)c(O)c3)c2N1 1445900535 JMSLWYCBAURIEJ-UHFFFAOYSA-N 314.297 1.359 10 10 DDCE CS(=O)(=O)N1CC[C@H](N2CCCC[C@H](CN=[N+]=[N-])C2)C1 1912171181 HEWFDQWNSJZIHC-NEPJUHHUSA-N 301.416 1.433 10 10 DDCE Cn1cnc(/C=C\C(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)c1 1529941080 CRTBGPSYVMLXJF-FWWRYZNZSA-N 310.357 1.124 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCn1cnnn1 1525113629 MJPCVIAZLKYVCS-UHFFFAOYSA-N 314.393 1.322 10 10 DDCE CNC(=O)N[C@@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 1612234269 MTIAQVJPBHUOLD-SECBINFHSA-N 324.337 1.120 10 10 DDCE COCCN(C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1483424378 QTUXCZRWFMIBAQ-NSHDSACASA-N 321.381 1.546 10 10 DDCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)CCCO 1485388912 AVKPDRALFCTUDR-NSHDSACASA-N 321.381 1.282 10 10 DDCE O=C(COCc1ccnc(O)c1)NCc1ccc(O)c(O)c1 1595595999 OMEKNECIKJEYNU-UHFFFAOYSA-N 304.302 1.031 10 10 DDCE O=C1NC(=S)S/C1=C/c1coc2ccc(O)cc2c1=O 2433863 SKUUZXLNRWOOEK-XCVCLJGOSA-N 305.336 1.987 10 10 DDCE O=C(CCN1C(=O)CSC1=S)Nc1cccc(C(=O)O)c1 1865768372 LCVCDTPDRBEDCI-UHFFFAOYSA-N 324.383 1.574 10 10 DDCE Cc1cc(O)ccc1NC(=O)CCN1C(=O)CSC1=S 1865768777 RSBVQOKTQUWOII-UHFFFAOYSA-N 310.400 1.890 10 10 DDCE CS[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 235278110 SWTJFNDAGPCPNF-OLZOCXBDSA-N 300.449 1.972 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2CCCS(=O)(=O)O 2143464973 QQWZHRZVPCUMFD-UHFFFAOYSA-N 300.380 1.229 10 10 DDCE C[C@H](NCc1ccc(F)c(F)c1O)[C@H]1CCS(=O)(=O)C1 2146101731 ZPPZVBMLCXISME-WPRPVWTQSA-N 305.346 1.583 10 10 DDCE NCc1cc(F)c(N2CCC[C@@]23CC[S@](=O)C3)c(F)c1 2158465192 OKPCYRPJSHRRRU-XOBRGWDASA-N 300.374 1.915 10 10 DDCE CSCC[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 701264645 VLVVCAAWNFJTSB-BDAKNGLRSA-N 300.388 1.078 10 10 DDCE NC(=O)C1CCN(C2=NC(=O)C(=Cc3cccs3)S2)CC1 2053497018 SPZKITPTNYGRTJ-UHFFFAOYSA-N 321.427 1.916 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC(OCC(C)C)C3)c2n1 2063018501 GNWCHKPCZZWYAH-UHFFFAOYSA-N 304.350 1.240 10 10 DDCE CCCO[C@H]1CS(=O)(=O)C[C@H]1N1CCC[C@H]1CN=[N+]=[N-] 2179603734 NJMNINAQHZMCSM-TUAOUCFPSA-N 302.400 1.353 10 10 DDCE CCCS(=O)(=O)CCN(C)c1c(F)cc(CO)cc1F 2170469005 YRNYTINUGDSEFJ-UHFFFAOYSA-N 307.362 1.718 10 10 DDCE CS(=O)(=O)[C@@H]1CSCCN1c1ccc2c(c1)CC[C@@H]2O 2184739726 KTJGOKITJUASFT-UONOGXRCSA-N 313.444 1.590 10 10 DDCE O=C(O)COC1CN(Cc2cc(Cl)cc(Cl)c2O)C1 2088562447 PEJVFBKBQSUMDF-UHFFFAOYSA-N 306.145 1.984 10 10 DDCE C[C@]1(CNS(=O)(=O)Cc2ccc(N)cc2)CSCCO1 2201234744 HJVFUTRVLCSOAW-ZDUSSCGKSA-N 316.448 1.210 10 10 DDCE O=C(O)/C(Cl)=C(/Cl)C(=O)NCCc1ccc(O)c(O)c1 2203893217 KNVTXDLDZRVKHI-KTKRTIGZSA-N 320.128 1.530 10 10 DDCE CN(CC(F)(F)C(=O)NCCN=[N+]=[N-])C(=O)OC(C)(C)C 2242436556 QBIMVODTCZEEMZ-UHFFFAOYSA-N 307.301 1.915 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)c1cn(C)nc1Br 2300532657 ZAXDSZNMCHJKAU-UHFFFAOYSA-N 301.148 1.955 10 10 DDCE CSc1ncc(CN=c2[nH]c(NN)ncc2Cl)s1 2257121784 BDDDOXMJRXKHNX-UHFFFAOYSA-N 302.816 1.628 10 10 DDCE O=C1NC(=S)NC1=Cc1ccc(-c2cccc(C(=O)O)c2)o1 2297504691 LTMSPBMJBBAVBQ-UHFFFAOYSA-N 314.322 1.990 10 10 DDCE C[C@@H](O)c1ccc(N2CC([C@@H](O)CO)C2)cc1Br 2315276446 OPBWMSSFLKLJSJ-OQPBUACISA-N 316.195 1.292 10 10 DDCE Cc1ccc(CN2CCC[C@H]2C(N)=O)c(O)c1Br 2327603333 PIUWMFIJDAXCDT-JTQLQIEISA-N 313.195 1.913 10 10 DDCE CS(=O)(=O)[C@H]1CC[C@H](S(=O)(=O)CCCCN=[N+]=[N-])C1 2342103816 SYOIINZGHGIKTN-UWVGGRQHSA-N 309.413 1.457 10 10 DDCE C[C@H](CN1CCOc2cc(N(C)C)ccc21)CS(C)(=O)=O 119955054 ZCQARAUFLNKUOB-GFCCVEGCSA-N 312.435 1.632 10 10 DDCE CN(Cc1c(O)cccc1F)[C@H]1CC[C@@H](S(C)(=O)=O)C1 2361664028 DADIASPTCAHHGF-WDEREUQCSA-N 301.383 1.929 10 10 DDCE NCc1ccc(-c2csc(NS(=O)(=O)c3cc[nH]c3)n2)o1 36283707 PXMLPUSKTVMJHU-UHFFFAOYSA-N 324.387 1.991 10 10 DDCE CCOc1cccc(CN2CCO[C@H](Cn3cccn3)C2)c1O 122219670 BWZUDOAPBMAQHO-HNNXBMFYSA-N 317.389 1.888 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCCC[C@@H]1c1nc[nH]n1 181301338 UEVPIUGAQZXTNI-HOSRBBHYSA-N 314.345 1.983 10 10 DDCE CN(Cc1ccc(N)cc1)c1ccc(S(N)(=O)=O)cc1F 71391287 PXVRWNOVXKPTNS-UHFFFAOYSA-N 309.366 1.692 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@@H]([S@](=O)CCc2ccc(N)cc2)C1 2367834895 VYHLVDJJVXPKCK-PJIJBLCYSA-N 315.460 1.526 10 10 DDCE C[C@H](C(=O)O)S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 232389689 MOQQHSBQTQPTOB-SCSAIBSYSA-N 314.146 1.914 10 10 DDCE Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(O)c1O 530070541 VAWUQKVFNCHUFG-NNOLRYQLSA-N 309.387 1.532 10 10 DDCE COc1ccc(O)c(CN2CCN(CC(F)(F)F)C(=O)C2)c1 289668390 NMTWZDFSZDWSMW-UHFFFAOYSA-N 318.295 1.607 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(C)c2)C1 808535158 ZZECKEINYFCXTH-LLVKDONJSA-N 321.304 1.188 10 10 DDCE CCN(CC(=O)OCC(=O)C(C)=O)Cc1ccccc1Cl 808548715 PIGIPUSPEFYTIL-UHFFFAOYSA-N 311.765 1.863 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCNC1=O 824300030 URSMPUTWDNCGTR-ZDUSSCGKSA-N 305.378 1.592 10 10 DDCE CC(=O)[C@@](C)(O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 828669497 LVGXAEJMQKGQAE-GUYCJALGSA-N 306.406 1.514 10 10 DDCE Cc1ccc([C@@H](C)NC[C@@]2(CO)COCCN2C)c(O)c1C 903278151 FCWMNXDPERAMSV-RHSMWYFYSA-N 308.422 1.353 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1(O)CCOCC1 907276147 ZJHHMBLJIITFSH-NSHDSACASA-N 309.362 1.077 10 10 DDCE CN1C[C@H](CCNC(=O)NCc2ccc(N(C)C)cc2)CC1=O 902884778 MHAXQWVFZLGIIP-CQSZACIVSA-N 318.421 1.420 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)C[C@@]12CCCN(CC1)C2 914145366 SWKIJWZTMBTYND-INIZCTEOSA-N 324.446 1.640 10 10 DDCE Nc1ccc(CCNC(=O)NCCCN2CCCC2=O)cc1 841506341 TWOBYXQDHMOWCX-UHFFFAOYSA-N 304.394 1.123 10 10 DDCE C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[S@]2=O)c1ccc(N(C)C)cc1 845126166 XFOPBCBEHAMNNF-KLLYRWHYSA-N 321.446 1.728 10 10 DDCE O=C(NC[C@]12OCCC[C@H]1C2(F)F)c1c(F)ccc(O)c1O 857322192 OEJICCYRPHLCPG-RNCFNFMXSA-N 317.263 1.781 10 10 DDCE C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H](C)N 851667532 OYZQIIYENPEXSX-OLZOCXBDSA-N 320.437 1.183 10 10 DDCE COc1ccc2c(c1)CCCN2CC1CN(S(C)(=O)=O)C1 929238080 RVUJIKCTQQKRHF-UHFFFAOYSA-N 310.419 1.339 10 10 DDCE CO[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCOC1 854324118 GXYZBEQSYMPXIS-GOEBONIOSA-N 306.406 1.763 10 10 DDCE C[C@@H](NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc([N+](=O)[O-])ccc1O 926945766 BREAMMWHYRTITK-NOBRSGAKSA-N 308.334 1.755 10 10 DDCE CC(C)(C)c1cc(O)c(O)c(CN2CCO[C@H](CC(N)=O)C2)c1 863325023 QINPOICJLPXAHV-CYBMUJFWSA-N 322.405 1.472 10 10 DDCE OCC1(CO)CCN(Cc2c(O)cccc2Br)C1 862417602 AZZUWXOJUWJYDR-UHFFFAOYSA-N 316.195 1.331 10 10 DDCE CCOc1ccc(O)c(CNC[C@@]23COCCN2C(=O)OC3)c1 865769896 YRYBLYWIPPSCIJ-INIZCTEOSA-N 322.361 1.102 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCC[C@@H]3CCNC(=O)[C@H]32)c1O 880528190 ZANSGUNCMAUFRU-ABAIWWIYSA-N 320.364 1.834 10 10 DDCE CN(C(=O)/C=C\c1cn(C)cn1)c1ccccc1S(C)(=O)=O 1126636716 ZDNSYOGNUPTCJO-HJWRWDBZSA-N 319.386 1.500 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1O 897925068 CAJACBCMIGLBIM-LIIPTPMRSA-N 304.346 1.376 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1ccnc(-n2cccn2)c1 1141583110 SLXUWBNAQBRSDB-UHFFFAOYSA-N 324.340 1.537 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1 1899734468 MMKUKNKJHTUMIH-FDYHWXHSSA-N 324.421 1.803 10 10 DDCE Nc1nc(N)nc(NCc2cccc(Br)c2O)n1 1163217233 KFHFDMVAFFVCKQ-UHFFFAOYSA-N 311.143 1.116 10 10 DDCE Cc1ccc(O)c(CNC(=O)NCc2nc(C3CC3)n[nH]2)c1 1312774620 OZPJDVTYMFGDOY-UHFFFAOYSA-N 301.350 1.696 10 10 DDCE NC(=O)CC1CC(NCc2cccc(Br)c2O)C1 718561678 ZHGUBQYYYCJFAQ-UHFFFAOYSA-N 313.195 1.898 10 10 DDCE O=[N+]([O-])c1cc2c(cc1N1CC[C@H](C3OCCO3)C1)OCCO2 718992614 HANBKMCTDFKHPO-JTQLQIEISA-N 322.317 1.565 10 10 DDCE COC(=O)COc1ccc(N(C)Cc2nnc(OC)s2)cc1 1332867878 UWQVRTCULKGDEB-UHFFFAOYSA-N 323.374 1.735 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCC3(COC3)C2)cc1F 1347237595 LKFZTSYDFSMDIC-UHFFFAOYSA-N 307.369 1.824 10 10 DDCE CCOc1cc(CNCCCO)ccc1N1CCCNCC1 212030520 YHARWGJEVCAOIQ-UHFFFAOYSA-N 307.438 1.357 10 10 DDCE COc1cc(C(=O)N[C@H](C)CNC(=O)C2CCC2)cc(OC)n1 1295399861 AJLQKIIVQMKBFL-SNVBAGLBSA-N 321.377 1.133 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@]1(O)CCc2ccccc2C1 1633599168 QQRUJGDHBJLEAQ-GOSISDBHSA-N 313.353 1.634 10 10 DDCE CC[C@H](C(=O)N(C)CCNCc1ccc(OC)c(C)c1)N(C)C 1567516120 JMWMKJRYNKOZKA-MRXNPFEDSA-N 321.465 1.892 10 10 DDCE COc1ccccc1[C@@H](O)C(=O)NCc1cccc(OC)c1O 1630366076 KNUONZYSXPNKPW-MRXNPFEDSA-N 317.341 1.759 10 10 DDCE CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1c(O)cccc1O 1639292864 TYKIHMCHVXYYTR-LBPRGKRZSA-N 321.377 1.296 10 10 DDCE CC(=O)N1CCN(C2=NC(=O)/C(=C/c3cccs3)S2)CC1 91225 BUVZZPLRTFGLLG-XFXZXTDPSA-N 321.427 1.883 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NCc1ccccc1O 1930121584 UMCPMQJLTNTRMG-QWHCGFSZSA-N 308.378 1.774 10 10 DDCE O=S1(=O)CC[C@@H]2CN(Cc3ccc(F)c(F)c3O)C[C@@H]21 2145073697 ZRKDXCFGRQKVRN-KCJUWKMLSA-N 303.330 1.289 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1C[C@H](O)C[C@H]1O 2000837049 PHYYMMSHRCWZKR-JMJZKYOTSA-N 302.168 1.129 10 10 DDCE COC(=O)Cc1cc(O)n2nc(C(C)(C)C)c(C(=O)OC)c2n1 2080933983 AHFBVSPWUFJGRW-UHFFFAOYSA-N 321.333 1.235 10 10 DDCE Oc1cccc(Br)c1CNCC[C@H]1COC[C@@H]1O 2048710731 NRBPTHNFYLPWNU-ZANVPECISA-N 316.195 1.642 10 10 DDCE CC[C@@](C)(CN(C)S(=O)(=O)Cc1ccc(N)cc1)OC 2186324997 KFHHVXPSALHELW-AWEZNQCLSA-N 300.424 1.846 10 10 DDCE C[C@H](O)[C@H]1CN(c2ccc(CO)c(Br)c2)CCO1 2053843995 NSOVWMYTSVNBFB-TVQRCGJNSA-N 316.195 1.527 10 10 DDCE NCc1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)c(Cl)c1 2088819790 MNNYJIHKWVVNLO-MFKMUULPSA-N 300.811 1.422 10 10 DDCE Nc1ccc(NC(=O)NCCCS(=O)(=O)C(F)F)cc1 2237648504 NIUNRYAPYFGJQF-UHFFFAOYSA-N 307.322 1.418 10 10 DDCE CO[C@H]1CCNC[C@@H]1C(=O)NCc1cnc(SC)s1 2269095972 PLRIJJOYHIRKAL-UWVGGRQHSA-N 301.437 1.106 10 10 DDCE CSc1ncc(CNCC2(O)CCC(C(=O)O)CC2)s1 2284543296 ZRSJACLXWWYJGJ-UHFFFAOYSA-N 316.448 1.961 10 10 DDCE CC[C@H]1NC(=O)[C@@H](CC)N(Cc2cnc(SC)s2)C1=O 2284668997 ZANYFZKXIXPZCH-NXEZZACHSA-N 313.448 1.881 10 10 DDCE CN1C(=O)NC(=O)C(=Cc2cc3c(cc2Cl)OCO3)C1=O 2296740294 SNLCIYHQATXFGJ-UHFFFAOYSA-N 308.677 1.160 10 10 DDCE Cc1nc(C2(NC(=O)C=Cc3ccc(O)c(O)c3)CCC2)no1 2307986756 YMNHIBDBJDSFQR-UHFFFAOYSA-N 315.329 1.998 10 10 DDCE Cc1ccc(CN2C[C@H](O)C[C@@H]2CO)c(O)c1Br 2327622800 AMOFXWYMUHJXEV-GHMZBOCLSA-N 316.195 1.391 10 10 DDCE Cc1ccc(CN2C[C@H](O)C[C@H]2CN)c(O)c1Br 2327796290 FFDSVDSWQVYKSA-WDEREUQCSA-N 315.211 1.357 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCC[C@@H](N)C2)s1 2345408582 OWPGVOMFLAKEOS-PRHODGIISA-N 301.437 1.679 10 10 DDCE CN1CCCc2cc(CNC(=O)COC[C@H]3CCOC3)ccc21 117635732 AYYSSFUYOKPCDK-HNNXBMFYSA-N 318.417 1.738 10 10 DDCE CONC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 125683949 MAODTIKHFIKIIE-UHFFFAOYSA-N 318.421 1.579 10 10 DDCE Cc1ccc(O)c(CNc2cccc(NS(N)(=O)=O)c2)c1 71407840 XMWKDRRRHCBASF-UHFFFAOYSA-N 307.375 1.928 10 10 DDCE CNc1ncnc(N2CCN(c3ccc(OC)cc3)CC2)c1N 40706829 PMPARBYTFVNWSO-UHFFFAOYSA-N 314.393 1.436 10 10 DDCE CC(C)(C)OC(=O)N1Cc2cc(O)c(O)cc2C[C@@H]1C(=O)O 140314910 OGKDJQNZENXBCA-SNVBAGLBSA-N 309.318 1.844 10 10 DDCE O=C([C@@H]1CCCO1)N1CCN(c2ccc3c(c2)OCO3)CC1 242422422 BJLNYIDQUAQSBK-AWEZNQCLSA-N 304.346 1.243 10 10 DDCE C[C@H]1CN(C(=O)[C@H](C)N(C)Cc2ccccc2O)C[C@@H](C)O1 245807879 NGWAOEVNTFQZDM-MJBXVCDLSA-N 306.406 1.848 10 10 DDCE CNS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)cc(C)c2O)C1 376832818 OVHRTERITZCGDY-LBPRGKRZSA-N 318.826 1.478 10 10 DDCE COc1cnc(NCc2ccc(N3CCOCC3)cc2)nc1 811837219 LWAGDCFYQPFFQP-UHFFFAOYSA-N 300.362 1.934 10 10 DDCE O=C(c1c[nH]nc1[C@@H]1CCNC1)N1CCc2cc(F)c(F)cc21 662386555 CMZOSEDIEOMINK-SNVBAGLBSA-N 318.327 1.968 10 10 DDCE Cc1[nH]nc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)c1C 832274790 YNRCSOWQFDTNTI-AWEZNQCLSA-N 301.394 1.522 10 10 DDCE CN(C)c1ccc(CNC(=O)NCCC2(CN)CC2)cc1F 846146993 UHOKMZYYJIATBV-UHFFFAOYSA-N 308.401 1.820 10 10 DDCE CC(C)(CN1CCOCC1)C(=O)NCc1c(O)cccc1F 928711078 ZVKGCYZEUQAUFD-UHFFFAOYSA-N 310.369 1.506 10 10 DDCE O=C(Nc1ccn(C2CCOCC2)n1)c1cccc(O)c1O 855866199 NVTHQQOWVRRJSD-UHFFFAOYSA-N 303.318 1.898 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CC(F)(F)CN)C2)cc1 852843768 GQCVBKKCYOTTPH-NSHDSACASA-N 313.348 1.374 10 10 DDCE CC(=O)C(=O)COC(=O)CCOc1ccc(Cl)c(F)c1 850293654 KVLYSOIYQDVJAY-UHFFFAOYSA-N 302.685 1.949 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@H]1CCc2n[nH]cc2C1 921506710 GAUJRZWNGJVIKC-JTQLQIEISA-N 304.325 1.611 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CC3(CN)CC3)C2)cc1 851639161 CBEIVQUYUMQBIN-ZDUSSCGKSA-N 303.406 1.519 10 10 DDCE CN(C)c1ccc(CNC(=O)c2c[nH]nc2[C@H]2CCNC2)cc1 852774463 ANJURMPNIPMMQX-ZDUSSCGKSA-N 313.405 1.483 10 10 DDCE C[C@H](NC(=O)NCCN1CCSCC1)c1ccccc1O 868355390 KWQVJOPCDNTRKC-LBPRGKRZSA-N 309.435 1.801 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](CO)NCc1ccc2c(c1)CCO2 1876252217 LDTUGLAHNJCYQF-CQSZACIVSA-N 322.405 1.597 10 10 DDCE COc1ccc(N2CC[C@@H](CNC[C@H](O)CC(C)(C)O)C2)cc1 872210015 FUDIVBZMELYAKS-GOEBONIOSA-N 322.449 1.633 10 10 DDCE CCC(=O)N1CSC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 871203410 ZZMQOTRUUOIWPK-GFCCVEGCSA-N 306.387 1.546 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ncoc1[C@H]1CCCO1 1153792195 OPURAEMZSSOLHV-LLVKDONJSA-N 304.302 1.867 10 10 DDCE COC(=O)c1ccc(/C=C\C(=O)NCc2ccc(O)c(O)c2)o1 1150376698 BKDIWVKOUUXUCA-DAXSKMNVSA-N 317.297 1.807 10 10 DDCE CCN1CCC2(CC1)CN(CCN)c1ccc(OC)cc1N2 76931244 ZMZWRGUYMHBGLZ-UHFFFAOYSA-N 304.438 1.740 10 10 DDCE C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@H](C)C2)cc1Cl 706915010 XKJAAPIDCYBQHS-ZJUUUORDSA-N 302.827 1.983 10 10 DDCE CN1C[C@H]2CN(c3ccc(CO)cc3Br)C[C@@H]2C1 707834370 PKFFOQDEGJOTBZ-RYUDHWBXSA-N 311.223 1.939 10 10 DDCE CC(CO)(CO)NCc1cc(Br)cc(F)c1O 715788804 LYSKCKKJAVMMDC-UHFFFAOYSA-N 308.147 1.127 10 10 DDCE O=C(O)/C=C\c1ccc(N2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 1346114509 ZQMAFGQXYNDCSQ-QDOCKXBDSA-N 304.302 1.654 10 10 DDCE O=C(C[C@H](O)c1cccc(F)c1)NCc1ccc(O)cc1O 1451772483 WPXYSROFYVQVNL-HNNXBMFYSA-N 305.305 1.977 10 10 DDCE COC(=O)CC(=O)Nc1c(-c2ccccn2)nc2ccccn12 1556879780 ZMDWUDDZAJXODH-UHFFFAOYSA-N 310.313 1.898 10 10 DDCE O=C(COc1ccc(CO)cc1)NCc1ccc(O)cc1O 1570462052 BNXKSXZLWRBAPL-UHFFFAOYSA-N 303.314 1.285 10 10 DDCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)[C@H](O)C(C)C 1732773596 VHKFAKMHCVAFMG-QGZVFWFLSA-N 322.449 1.959 10 10 DDCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC[C@@H]1CCCCS1 156408237 QDUHAAGIJFGHMI-RYUDHWBXSA-N 310.419 1.370 10 10 DDCE COCc1nnc(NC(=O)[C@H](C)Oc2ccc(N)cc2)s1 1860083005 AQLPSXBKUQNHRY-QMMMGPOBSA-N 308.363 1.673 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C(=O)c2cccnc2C1=O 1866244737 WAHDBIFJYUWJIX-SECBINFHSA-N 310.313 1.287 10 10 DDCE CN(Cc1cc(N)ccc1O)C[C@@H](O)COCc1ccccc1 1916349436 USENUCIHQPXHHY-QGZVFWFLSA-N 316.401 1.984 10 10 DDCE C[S@](=O)C1CN(c2ccc(CO)cc2Br)C1 1981172732 MEQJAEZKCYLYCJ-INIZCTEOSA-N 304.209 1.509 10 10 DDCE COc1ccc(N(C)C2CNC2)c(OC)c1Br 1999165785 VGCINMVEVFAOJG-UHFFFAOYSA-N 301.184 1.874 10 10 DDCE C[C@@H](CC(N)=O)N(C)c1cc(Br)c(CN)cc1F 2033932777 OJACEYOHTLZFLX-ZETCQYMHSA-N 318.190 1.747 10 10 DDCE CN(c1ccc(CN)c(Br)c1)[C@@H]1COC[C@@H]1O 709423285 NXOUYZVZAFTMPW-NEPJUHHUSA-N 301.184 1.104 10 10 DDCE COc1ccc(O)c(CNC(=O)c2cc(=O)c(OC)cn2C)c1 2062701001 DZUAZQNUHPIXGO-UHFFFAOYSA-N 318.329 1.038 10 10 DDCE CCCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(O)cc1O 2170591994 RVKLVNIBCUSCRM-GHMZBOCLSA-N 301.408 1.962 10 10 DDCE O=S1(=O)CC[C@@H]2CN(c3ccc(CO)c(Cl)c3)C[C@H]21 2088785624 ZVQQLZKTEVCTQJ-NOZJJQNGSA-N 301.795 1.456 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CC[C@](F)(CN)C2)s1 2269090359 LZVBTVNLXIKKDF-PRHODGIISA-N 303.428 1.948 10 10 DDCE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)Cc1ccc(N)cc1 2243990929 MDIUTOYZKBHYEE-ZDUSSCGKSA-N 323.437 1.976 10 10 DDCE NCc1ccc(N2CCC[C@@H]3CNC(=O)[C@H]32)cc1Br 2264594610 FGTAKUIJOXTSEG-MFKMUULPSA-N 324.222 1.623 10 10 DDCE CSc1ncc(CNC[C@H]2[C@H]3CC[C@@H](O3)[C@H]2CO)s1 2269310510 HHEYSRWJTQKXKD-WRWGMCAJSA-N 300.449 1.741 10 10 DDCE Cc1ccc(CN2CCC[C@@H]2C(N)=O)c(O)c1Br 2327607101 PIUWMFIJDAXCDT-SNVBAGLBSA-N 313.195 1.913 10 10 DDCE CN1C(=O)NC(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 34138301 DWEWPNFBSVEDFM-KXFIGUGUSA-N 315.112 1.791 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@]3(C)CCCCN3)CC2)cc1 180977975 VWAVXXYNZJEKON-GOSISDBHSA-N 317.433 1.876 10 10 DDCE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)Cc1ccc(N)cc1 237464016 RKQZNJGEKNKMEH-LLVKDONJSA-N 300.406 1.909 10 10 DDCE CN(C)CCOCCNCc1cc(Br)ccc1O 231676090 ZSPXOHBSLWUTAP-UHFFFAOYSA-N 317.227 1.823 10 10 DDCE COC(=O)Cc1c(C(=O)OCC(=O)C(C)=O)[nH]c2ccccc12 808549939 XNZBVDDLLOPDGT-UHFFFAOYSA-N 317.297 1.198 10 10 DDCE CC(F)(F)[C@H]1C[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2164452250 PPWDFPAXPJMNJX-JQWIXIFHSA-N 304.362 1.980 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 808533527 PNYQYENBEINJHG-SSDOTTSWSA-N 318.251 1.235 10 10 DDCE Cc1cnc(CN(C)S(=O)(=O)Cc2ccc(N)cc2)s1 2170136969 BEUMJAAKFWXNJS-UHFFFAOYSA-N 311.432 1.996 10 10 DDCE CC1(C)C(=O)NCCN1C(=O)c1cc2cc(O)c(O)cc2s1 900556632 FEWJXLFHAKSKNP-UHFFFAOYSA-N 320.370 1.663 10 10 DDCE O=S1(=O)CCN(c2ccc(CNc3cccnn3)cc2)CC1 742400484 YFZOTIIGRGCMAV-UHFFFAOYSA-N 318.402 1.324 10 10 DDCE COC(=O)[C@@H](NCc1ccc(N(C)C)cc1C)c1ccn(C)n1 840942284 XXOSXVZNWBITFO-INIZCTEOSA-N 316.405 1.798 10 10 DDCE C[C@H](O)[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 840975910 AKAISRHVNGSGDL-YJBOKZPZSA-N 319.449 1.020 10 10 DDCE CN(Cc1cc(O)n2ncc(C(=O)O)c2n1)C[C@H]1CCCCO1 846238223 BESCKEGIGMUBMH-LLVKDONJSA-N 320.349 1.134 10 10 DDCE CCCC(=O)NCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855228466 AURRIYAFMCJFSS-ZDUSSCGKSA-N 319.405 1.306 10 10 DDCE CN1CCN(c2ccc(CNCC3(N)CCOCC3)cc2)CC1 863482366 ZOFKSCMVWQUZQI-UHFFFAOYSA-N 318.465 1.036 10 10 DDCE CO[C@@H]1CN2C(=O)N(Cc3ccc(N(C)C)cc3)C(=O)[C@@]2(C)C1 865297349 SVDYANLOWLALKA-WMLDXEAASA-N 317.389 1.694 10 10 DDCE CN1CCCC[C@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)C1=O 870603321 LBKBGYCZRWTORA-XOVSCCBYSA-N 318.373 1.580 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 772917139 JQLZIGMUGMCDRD-MRVPVSSYSA-N 320.305 1.534 10 10 DDCE CC[S@](=O)CCNCc1ccc([N+](=O)[O-])c(OC)c1O 775021393 LOILISVPRXQPOO-FQEVSTJZSA-N 302.352 1.167 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ccc(F)cn2)c1 1128915334 REPSMYXRROHCSJ-ZZXKWVIFSA-N 314.320 1.652 10 10 DDCE CCc1cccc(CNCCNS(=O)(=O)C(F)F)c1O 1964620236 GXJMIOOCVYKXKM-UHFFFAOYSA-N 308.350 1.186 10 10 DDCE COc1ccc(Br)c(CN[C@@H](C)CC(N)=O)c1O 1964047307 CMFBPIPWIHIMQI-ZETCQYMHSA-N 317.183 1.517 10 10 DDCE O=S(=O)(CCNCc1c(O)cccc1F)N1CCCC1 1964053239 COXAZNPDBLTKSH-UHFFFAOYSA-N 302.371 1.047 10 10 DDCE CN(c1ccc(CO)cc1Cl)C1CCS(=O)(=O)CC1 694176242 LFZWTUYHAOZDMN-UHFFFAOYSA-N 303.811 1.846 10 10 DDCE O=C(NCc1cccc(O)c1O)[C@@]1([C@@H]2CCCCO2)CCCO1 1348046709 ISQPCHSNAPZSRX-YOEHRIQHSA-N 321.373 1.832 10 10 DDCE CNC(=O)C1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 1447513963 RQPBGROJACPUAB-UHFFFAOYSA-N 306.362 1.061 10 10 DDCE CN(Cc1ccccc1O)C(=O)NCc1nc(C2CC2)n[nH]1 1470317334 DCNXIESECGKLDM-UHFFFAOYSA-N 301.350 1.729 10 10 DDCE COc1ccccc1[C@H](O)C(=O)NCc1cccc(OC)c1O 1630366075 KNUONZYSXPNKPW-INIZCTEOSA-N 317.341 1.759 10 10 DDCE CCS(=O)(=O)C1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1636568188 AITNQJOPCVCUDF-UHFFFAOYSA-N 324.362 1.108 10 10 DDCE CC1(C)CN(C(=O)C2CC2)CCN1C(=O)c1cccc(O)c1O 1637702835 BKOZSLLVMYGCBK-UHFFFAOYSA-N 318.373 1.571 10 10 DDCE CC(=O)NC1(C(=O)NCc2cc(O)ccc2O)CCCCC1 1644752455 GJMRTLILQJQFKA-UHFFFAOYSA-N 306.362 1.553 10 10 DDCE O=C(C[C@H]1C(=O)Nc2ccccc21)NCc1c(O)cccc1O 1647270555 URUBTGZNUWCBNM-LLVKDONJSA-N 312.325 1.840 10 10 DDCE CO[C@@H](C)CN(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1663343202 YYCODRNNIAAMCH-NSHDSACASA-N 321.381 1.546 10 10 DDCE CC[C@@H](Nc1cnn(CC(=O)NCCO)c1)c1ccccc1O 157906304 HZKWTCDFVAGAPH-CQSZACIVSA-N 318.377 1.260 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCN1c1c(F)cc(CO)cc1F 2151278278 YOWVPGZIKDLDQB-JTQLQIEISA-N 305.346 1.471 10 10 DDCE Nc1ccc(NC(=O)N2CC(CNC(=O)C(F)(F)F)C2)cc1 1977883327 CTNOVODYHPPQJY-UHFFFAOYSA-N 316.283 1.411 10 10 DDCE COC(=O)[C@H](NCCN=[N+]=[N-])c1sc(OC)nc1OC 312537085 QNNZFQPQTXGSMK-ZCFIWIBFSA-N 301.328 1.274 10 10 DDCE CO[C@](C)(CO)CNCc1c(O)cccc1Br 706863792 NFAXIMFRJIJXIU-LBPRGKRZSA-N 304.184 1.642 10 10 DDCE CNCc1ccc(N(C)C2CC(S(C)(=O)=O)C2)c(F)c1 716097384 ZKEVCQVJQXRETK-UHFFFAOYSA-N 300.399 1.557 10 10 DDCE Cn1cc(CNCc2cccc(O)c2O)c(Br)n1 720647349 BANXGNGNMODWTJ-UHFFFAOYSA-N 312.167 1.884 10 10 DDCE CN(CC[S@@](C)=O)c1ccc(CN)c(Br)c1F 398945786 JHWJSMGNLNOIQS-QGZVFWFLSA-N 323.231 1.862 10 10 DDCE O=S1(=O)C[C@H]2[C@H](CNCc3cc(F)cc(F)c3O)[C@H]2C1 2174614358 HOYIQSRSWNYMNZ-RTCCRHLQSA-N 303.330 1.051 10 10 DDCE CCc1nn([C@H](CC)c2ccc(OC)cc2O)c(N)c1C(N)=O 2079984925 IYHZRCJNLVLRIP-GFCCVEGCSA-N 318.377 1.840 10 10 DDCE C[C@H](N)c1cc(F)c(N(C)CCCS(C)(=O)=O)c(F)c1 2194695304 SNIUNEQCMKPFLG-VIFPVBQESA-N 306.378 1.855 10 10 DDCE C[C@@]1(CO)COCCN1c1ccc(CO)cc1Br 2049911633 FZKCEJWFTMVARQ-CYBMUJFWSA-N 316.195 1.529 10 10 DDCE O=C(O)[C@@H](C1CC1)S(=O)(=O)Nc1ccc(O)cc1Cl 2110736978 PMXHKDGVSJRZIC-SNVBAGLBSA-N 305.739 1.651 10 10 DDCE Cc1nc2n(n1)CCN(c1ccc(CN)cc1Br)C2 2114038831 RUCAKUFLAZCNAC-UHFFFAOYSA-N 322.210 1.828 10 10 DDCE COCC[S@@](=O)CCN[C@H](C)c1cc(OC)ccc1O 2207027533 NDHLLEBJAMBMRS-GIPWTMENSA-N 301.408 1.447 10 10 DDCE Cc1cc(N2CCSC[C@H]2S(C)(=O)=O)ccc1[C@@H](C)O 2285150611 MZANSYUERNVMDF-BXUZGUMPSA-N 315.460 1.972 10 10 DDCE CCCNCCS(=O)(=O)NCc1cnc(SC)s1 2257097070 NRUQKDUAOXYUIF-UHFFFAOYSA-N 309.482 1.284 10 10 DDCE C[C@H]1CC[C@H](S(C)(=O)=O)CN1c1ccc(CN)c(F)c1 2279333538 INBDZYXNJIGZBH-GWCFXTLKSA-N 300.399 1.686 10 10 DDCE Cc1ccc(CNC[C@H]2CNC(=O)O2)c(O)c1Br 2327797091 RKMNXRSQXXVOBH-VIFPVBQESA-N 315.167 1.661 10 10 DDCE COc1ccc(N2CCN(C(=O)NCC(C)(C)OC)CC2)cc1 173967903 KQJHBPWZESABDA-UHFFFAOYSA-N 321.421 1.952 10 10 DDCE CC(C)C(=O)N1CCC(NCc2cc3c(cc2O)OCO3)CC1 63255989 BDWIIKYWCFYNDI-UHFFFAOYSA-N 320.389 1.858 10 10 DDCE CC(C)CN(CC(N)=O)c1ccc(CN)cc1Br 212927469 ZJRHOYSZTBLRSW-UHFFFAOYSA-N 314.227 1.856 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]32)c1 190777284 YARCOWLEVWQIFK-NFAWXSAZSA-N 306.362 1.768 10 10 DDCE CN(Cc1ccccc1)S(=O)(=O)NCCc1ccc(N)cc1 381487415 JYYMTHNJUWODBJ-UHFFFAOYSA-N 319.430 1.778 10 10 DDCE CSCC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 190586470 XXKMSAGDJGAFLE-UHFFFAOYSA-N 321.446 1.334 10 10 DDCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C/N(C)C 98041285 YJTWNVWNMDVKOD-JLHYYAGUSA-N 317.345 1.406 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1 808549615 JSALLIGSSDYLEG-NSHDSACASA-N 304.220 1.440 10 10 DDCE C[C@H](NCCc1ccc(N)cc1)c1ccc(S(N)(=O)=O)cc1 817955795 HWFCBKQMAYYYNF-LBPRGKRZSA-N 319.430 1.810 10 10 DDCE CN1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]21 823366035 UMPRYFPISLFQCQ-YPMHNXCESA-N 301.350 1.625 10 10 DDCE CN1CCN(C)[C@@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 835038895 DEIRRVXOWXDVAG-XFHJGTJQSA-N 302.466 1.601 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)C[C@@H](C)NC(N)=O)cc1 848243211 GJOFWJAFHVTTDW-GFCCVEGCSA-N 322.409 1.037 10 10 DDCE CO[C@H](CS(=O)(=O)NCc1c(O)cccc1F)C1CC1 921451648 UCSTZGXXHZOEJV-CYBMUJFWSA-N 303.355 1.376 10 10 DDCE CC[C@@](C)(CO)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855222876 BPHOMPCDIHLZNX-GUYCJALGSA-N 306.406 1.799 10 10 DDCE Cn1c2c(ccc1=O)[C@@H](NC(=O)c1cccc(O)c1O)CCC2 855030303 JGRBJAXTKZSEFI-LBPRGKRZSA-N 314.341 1.604 10 10 DDCE COC(=O)[C@H]1C[C@]1(N)c1cc(Br)cc(F)c1O 1952829484 LUTUEUJZWNVVKJ-HQJQHLMTSA-N 304.115 1.641 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCS1(=O)=O 862024614 DADZXDJRWLISKT-GFCCVEGCSA-N 320.370 1.134 10 10 DDCE C[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCN1CCO 862334095 YTNFXYOBVOLKFW-LBPRGKRZSA-N 313.392 1.529 10 10 DDCE CN(C)c1ccc(/C=C\CNCc2cnn(C)c2C(=O)O)cc1 1119615326 KGNOTJVUVMFNFJ-PLNGDYQASA-N 314.389 1.987 10 10 DDCE Cc1ccc(C)n1-c1ccc(C(=O)NCCc2nnnn2C)cc1 772454232 DRMFAWODIHJSDU-UHFFFAOYSA-N 324.388 1.590 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCNC(=O)C1 1135800984 ZAJNYTXHODKCLQ-HNNXBMFYSA-N 315.417 1.771 10 10 DDCE O=C(NCCNC(=O)C1CC1)c1cc2cc(O)c(O)cc2s1 895437223 JHWFPEFSZYRKLU-UHFFFAOYSA-N 320.370 1.569 10 10 DDCE O=C(NCCN=S1(=O)CCCC1)c1c(F)ccc(O)c1O 898428707 RTLZUSRFHCDZCK-UHFFFAOYSA-N 316.354 1.229 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)c1ccc2nc(O)[nH]c2n1 1146232853 NKOIEIAFTPSQSK-UHFFFAOYSA-N 318.720 1.953 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)c1nsnc1O 1442229323 BCZRHRKCBSCUAS-UHFFFAOYSA-N 320.374 1.010 10 10 DDCE CCc1nc(C)ncc1C(=O)NCc1cccc(OC)c1O 1294925250 MYPLGFCWZOFAGG-UHFFFAOYSA-N 301.346 1.992 10 10 DDCE C[C@H](N)c1ccc(N(CCO)C2COC2)c(Br)c1 1915538511 FXPULMWBEZKDMW-VIFPVBQESA-N 315.211 1.666 10 10 DDCE COc1ccc([C@@H](O)CNC(=O)Cc2ccc(O)c(O)c2)cc1 1465903450 ORRBCSZQCBJQKI-INIZCTEOSA-N 317.341 1.499 10 10 DDCE COC(=O)N[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1623549440 BDGQZTAZEWPSLB-ZDUSSCGKSA-N 319.405 1.990 10 10 DDCE C[C@@H](O)CN[C@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1480811781 FDJBYQDETNEVAD-GHMZBOCLSA-N 321.381 1.328 10 10 DDCE C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(O)cc1O 1626837661 CFHVJPQOWRALSF-QLJPJBMISA-N 315.325 1.943 10 10 DDCE CN(CC(=O)N1CCCC1)C(=O)c1ccc(N=NC(N)=O)cc1 1557687357 VWORHAZRNAKLHG-UHFFFAOYSA-N 317.349 1.543 10 10 DDCE Cc1nc(C(C)C)nc(O)c1C(=O)NCc1cc(O)ccc1O 1644754206 RPNSLALXCPZOPN-UHFFFAOYSA-N 317.345 1.955 10 10 DDCE Cc1ccc(C(=O)NC[C@H](O)Cc2cccc(F)c2)c(O)c1O 1641557650 MTBDSVOGPZKEPB-CYBMUJFWSA-N 319.332 1.879 10 10 DDCE COc1cc(Cl)cc(CN2CCN(CC(=O)O)CC2)c1O 169223475 DHTOSBOEEFKMTA-UHFFFAOYSA-N 314.769 1.256 10 10 DDCE CNCc1ccc(N(C)C[C@@H](O)COC)c(Br)c1 234405150 OVUSJLTTYJPAJA-LLVKDONJSA-N 317.227 1.612 10 10 DDCE CON(C)C1CN(c2ccc(CN)c(Br)c2)C1 1941107931 XLYQCZUEPHPPOX-UHFFFAOYSA-N 300.200 1.590 10 10 DDCE CC1(CNCc2c(O)cccc2F)CCS(=O)(=O)CC1 1967870263 POIFFYBRPIAQBS-UHFFFAOYSA-N 301.383 1.836 10 10 DDCE CN(C)[C@@H]1CN(c2ccc(CN)cc2Br)C[C@H]1O 2029432229 FCCCDWMEPPWYMB-CHWSQXEVSA-N 314.227 1.019 10 10 DDCE OC[C@@H]1COC[C@H]1NCc1cc(Br)cc(F)c1O 2029845206 SKLCIVCIJCHCPY-LDYMZIIASA-N 320.158 1.391 10 10 DDCE CN(C)C(=O)OCCNCc1c(O)cccc1Br 706835045 KKCPAVZPKMCKHF-UHFFFAOYSA-N 317.183 1.943 10 10 DDCE CC(C)(O)C(C)(C)CNS(=O)(=O)Cc1ccc(N)cc1 393562939 INZNFTFCAYEVAC-UHFFFAOYSA-N 300.424 1.485 10 10 DDCE CO[C@]1(CO)CCCN(c2cc(Cl)c(CN)cc2F)C1 2177380948 IHCTUGMEGLHFOJ-CQSZACIVSA-N 302.777 1.916 10 10 DDCE Cn1cc(C(=O)NCc2ccccc2O)c(Br)n1 2052977409 SZQOUSUAXNEPDY-UHFFFAOYSA-N 310.151 1.818 10 10 DDCE NC(=O)[C@H]1CCC[C@H]1NCc1ccc(Br)cc1O 2053777761 RONSFISSWXOJPX-WDEREUQCSA-N 313.195 1.898 10 10 DDCE NC(=O)NCC1CN(c2ccc(CO)cc2Br)C1 2067126311 YYFQDQAHPGZGBJ-UHFFFAOYSA-N 314.183 1.046 10 10 DDCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)c1csc(=N)[nH]1 2191775922 IBXFLINOMKTTAM-MRVPVSSYSA-N 312.420 1.318 10 10 DDCE CN(CCS(=O)(=O)N(C)C)Cc1cccc(Cl)c1O 2094685794 YFTSDBKXDIXSSM-UHFFFAOYSA-N 306.815 1.369 10 10 DDCE O=[N+]([O-])c1cc(NS(=O)(=O)CCC(F)(F)F)ccc1O 187045219 ICKKBMMGUMCINB-UHFFFAOYSA-N 314.241 1.995 10 10 DDCE OCc1ccc(N2CC[C@H](O)[C@H](O)CC2)c(Br)c1 2256967042 NSDNIBFYYCSZQO-BETUJISGSA-N 316.195 1.263 10 10 DDCE C[C@H](CN(C)C)NCc1cc(Br)c(O)cc1O 2248029064 TZMLSMCJDYZGDW-MRVPVSSYSA-N 303.200 1.900 10 10 DDCE CSc1ncc(CN=c2[nH]c(=N)[nH]c3c2CCCC3)s1 2284715563 WMTJZFRIBDBBLX-UHFFFAOYSA-N 307.448 1.980 10 10 DDCE NC[C@H](N)c1cc([N+](=O)[O-])c(Cl)c(Br)c1O 309243765 MSOFAJDGRDYHFH-BYPYZUCNSA-N 310.535 1.675 10 10 DDCE Cc1cc(O)c(CN2C[C@@H](C)O[C@@H](C(N)=O)C2)cc1C(C)C 120297103 FMVYMHKFVZGESQ-MLGOLLRUSA-N 306.406 1.899 10 10 DDCE Cc1cc(Br)cc(CN2CCNC(=O)CC2)c1O 180061152 IQAKSXQKWXSIOM-UHFFFAOYSA-N 313.195 1.785 10 10 DDCE COC(=O)[C@@H](C)S(=O)(=O)N(Cc1ccc(N)cc1)C1CC1 49063437 FDAVQVMXCXQTLA-SNVBAGLBSA-N 312.391 1.125 10 10 DDCE COc1cc(Cl)c(N2C[C@H](CO)OC[C@H]2C)c(OC)c1 2368303189 PRQBKUNJQPSRGS-MWLCHTKSSA-N 301.770 1.943 10 10 DDCE CCN(CC)c1ccc(/C=c2\sc3nc(C)nn3c2=O)cc1 47154688 CHTKUHILBHDYQE-UVTDQMKNSA-N 314.414 1.853 10 10 DDCE CC(C)CNC(=O)N1CCN(c2ccc3c(c2)OCCO3)CC1 243315237 LKBDHQLCOCWMLY-UHFFFAOYSA-N 319.405 1.945 10 10 DDCE Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(O)c1O 530070540 VAWUQKVFNCHUFG-NNUHMIRASA-N 309.387 1.532 10 10 DDCE Cc1cc(Cl)cc(CN2CCC(S(N)(=O)=O)CC2)c1O 375564295 JCPANUVCWXYBLG-UHFFFAOYSA-N 318.826 1.607 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H]3C(=O)O)CC2)cc1 396971252 GTURDGDVRDIXFZ-CABCVRRESA-N 318.373 1.455 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCCN(C)C2)c1 729049025 BGIYHABKWDOKTE-NEPJUHHUSA-N 307.394 1.855 10 10 DDCE Cc1cc(O)c(CN2CCn3c(CO)nnc3C2)cc1Cl 824894897 LURPAMSUEHASBD-UHFFFAOYSA-N 308.769 1.454 10 10 DDCE C[C@@H](NC[C@]1(CO)COCCN1C)c1ccc(Cl)cc1O 903277586 HVONZIWZCRMKHG-ABAIWWIYSA-N 314.813 1.389 10 10 DDCE Cn1cc(/C=C/C(=O)N2C[C@@H](CO)Cc3cccc(F)c32)cn1 911691268 CEKDETBBTSKSHR-GFUIURDCSA-N 315.348 1.770 10 10 DDCE NC[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)C(F)(F)F 848716413 YZPZXGPLXDWTOC-MRVPVSSYSA-N 313.663 1.933 10 10 DDCE C[C@@H]1CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C(C)(C)C1 846245658 ABSHNFLGQJLPOT-VIFPVBQESA-N 304.350 1.754 10 10 DDCE C[C@@H](N)CNC(=O)NCc1cc(Br)ccc1O 841988404 QXRDDAZPPOVSRT-SSDOTTSWSA-N 302.172 1.301 10 10 DDCE Cc1ccc([C@H](C)NC[C@]2(OCCO)CCOC2)c(O)c1C 850510826 YDFIUFUHWBFQGZ-WMLDXEAASA-N 309.406 1.828 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](OC)C3)C2)cc1 854300632 XDARXZUPXBIKMX-CZUORRHYSA-N 319.405 1.704 10 10 DDCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@](C)(C(F)F)O1 856482477 LXBPZNHHPIWAJH-XLKFXECMSA-N 301.289 1.983 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C[C@@H](C)O)C2)cc1 854299071 KPPWHKYAKJWHGQ-MCIONIFRSA-N 321.421 1.733 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H]3CN4CCC[C@H]3C4)C2)cc1 926679803 GCPBGFNMTZKGPK-RLFYNMQTSA-N 301.434 1.958 10 10 DDCE CCN(C)c1ccc(CN2CCO[C@@H](CNC(=O)NC)C2)cc1 859492462 SMFGSQKZZCESDC-INIZCTEOSA-N 320.437 1.273 10 10 DDCE CC[C@H](NC[C@]1(OCCO)CCOC1)c1ccc(C)cc1O 850510964 YTGUCVNLFKLFNT-DOTOQJQBSA-N 309.406 1.909 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCc3c(O)nn(C)c3C2)c1O 931200062 JYLHJNOOQKPSMS-UHFFFAOYSA-N 319.336 1.731 10 10 DDCE C[C@H](O)[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 897983686 JSKUXPFBYQDFAX-UFBFGSQYSA-N 323.370 1.534 10 10 DDCE Cc1cc(C(=O)NCc2c(O)cccc2F)c(C)n1NC(N)=O 1178413063 MLCHRGOAXILZJR-UHFFFAOYSA-N 320.324 1.502 10 10 DDCE Cc1ccc(C(=O)Nc2nn[nH]n2)cc1-n1c(C)cc(C=O)c1C 1444624346 OYZYTOWEGOLTJB-UHFFFAOYSA-N 324.344 1.980 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(N2CCCC2=O)CC1 1443689277 QFLBWRUFMSRVBS-UHFFFAOYSA-N 318.373 1.254 10 10 DDCE COc1ccc(CNC(=O)Cc2cnn3ccccc23)c(O)c1 1467472150 ZYOQWCNKDWDEHF-UHFFFAOYSA-N 311.341 1.907 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](CO)Cc1ccccc1 1544532199 USLAAFXTVOOSPU-HNNXBMFYSA-N 315.369 1.608 10 10 DDCE C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](CO)O1 1625294264 GVIGWVONCRBXFN-JOYOIKCWSA-N 306.322 1.071 10 10 DDCE COc1cccc(CNC(=O)c2c(OC)nsc2OC)c1O 1636061252 LAONMECSIUHOQA-UHFFFAOYSA-N 324.358 1.805 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2cccnn2)cc1C 1731627000 PBLWWAYMKMWWDO-CYBMUJFWSA-N 314.389 1.702 10 10 DDCE C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1C(=O)Cc1ccc(O)c(O)c1 1640153679 ACSQQBUEOOFBPM-SCVCMEIPSA-N 306.362 1.141 10 10 DDCE COc1cccc2c(C(=O)NCc3cccc(O)c3O)cnn12 1643812745 OISPJVZPYYQVHK-UHFFFAOYSA-N 313.313 1.684 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](c2ncon2)C1 1645977965 SVJCIMYLLCNNHL-TXNVCOODSA-N 315.329 1.900 10 10 DDCE CN(C)c1ccc([C@@H](NC(=O)OC(C)(C)C)C(CO)CO)cc1 1927287251 KIPSPDBBFZDJKG-OAHLLOKOSA-N 324.421 1.919 10 10 DDCE CCCN(c1ccc(N)cc1)S(=O)(=O)NCC(F)(F)F 126139959 DXZBVYXVJQALLY-UHFFFAOYSA-N 311.329 1.882 10 10 DDCE C[C@]1(c2cc(I)ccc2O)COC(=O)N1 1951529485 UXAGUFDERWWUSY-SNVBAGLBSA-N 319.098 1.952 10 10 DDCE Oc1ccc(I)cc1[C@H]1NCC[C@H]1O 1952068765 PPAFASGSZNCTKD-NXEZZACHSA-N 305.115 1.392 10 10 DDCE O=S1(=O)C[C@H]2C[C@@H](CN(c3ccc(CO)cc3Cl)C2)C1 2185680954 AWNYJTDDTWYYPY-RYUDHWBXSA-N 315.822 1.703 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)c1cc(CO)co1 2101574523 ZOEXUVBMOPBYHQ-UHFFFAOYSA-N 303.723 1.932 10 10 DDCE Oc1ccc(CN=c2[nH]nc(Br)s2)c(O)c1O 2213671154 ZXFOSMWEWFVTKC-UHFFFAOYSA-N 318.152 1.451 10 10 DDCE Cn1nc(Br)c(CNCc2cc(F)ccc2O)n1 2219793400 CGBFLOXQYKUVEO-UHFFFAOYSA-N 315.146 1.712 10 10 DDCE COc1ccc(N(C)[C@@H](C)CCS(C)(=O)=O)c(CN)c1 2235961940 HUPVAPYOUHTLDB-NSHDSACASA-N 300.424 1.413 10 10 DDCE Cc1cc([C@H](C)N)ccc1N1CCSC[C@@H]1S(C)(=O)=O 2240847834 WCVRWKASLOMWEN-FZMZJTMJSA-N 314.476 1.939 10 10 DDCE CSc1ncc(CNC(=O)N(C)[C@H](C)CC(=O)O)s1 2269097187 BFCJIXQMQDCQFY-SSDOTTSWSA-N 303.409 1.870 10 10 DDCE COc1cc(OC)c(N2C[C@H](O)[C@H](N(C)C)C2)cc1Cl 2285865951 BWKJKTRWFUXTDM-NEPJUHHUSA-N 300.786 1.468 10 10 DDCE COc1cc(OC)c(N2C[C@H](CO)C[C@H]2CO)cc1Cl 2285919499 KFGPSRHEPKNKOG-ZJUUUORDSA-N 301.770 1.537 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@@H]1CCNC1 2301603341 RFYHNQXEARNLEG-OAHLLOKOSA-N 301.390 1.015 10 10 DDCE CNCCC(=O)NCc1ccc(C)c(Br)c1O 2307571959 WIRRYSHCPZPEHH-UHFFFAOYSA-N 301.184 1.689 10 10 DDCE COC(=O)C[C@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1 176141940 XABIJQPYYREIBZ-HNNXBMFYSA-N 305.374 1.645 10 10 DDCE CN(C(=O)CS(=O)(=O)CC1CCCC1)c1ccc(N)cc1 62836295 RVAGQDOFFOHGFL-UHFFFAOYSA-N 310.419 1.837 10 10 DDCE Nc1ccc(Cc2nn3c([C@H]4CCOC4)nnc3s2)cc1 133765341 FALKJEMINNWQAE-JTQLQIEISA-N 301.375 1.863 10 10 DDCE C[C@H](O)CN(C)c1cc2c(cc1Br)[C@H](N)C(=O)N2 92775758 PXRPPBQMVLEZOU-KGFZYKRKSA-N 314.183 1.218 10 10 DDCE CN(C)CCCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 96035034 QHTJMDAYCMRBOE-TWGQIWQCSA-N 317.433 1.604 10 10 DDCE C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)C[C@H]1N1CCOCC1 246498939 PTZRVRWUWJIGEC-IUODEOHRSA-N 321.377 1.453 10 10 DDCE CC[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@]2(CCOC2)O1 366521157 QNEGWPYKNCORIT-ZBEGNZNMSA-N 307.346 1.508 10 10 DDCE Cn1cc2c(n1)CCC[C@H]2NC(=O)c1c(F)ccc(O)c1O 296224692 WYXBKQQRLUFYGN-SNVBAGLBSA-N 305.309 1.778 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)c1nnn(C(C)(C)C)n1 827955420 HFJANMOYBPBDMH-UHFFFAOYSA-N 316.409 1.733 10 10 DDCE O=S1(=O)CCCN1CCCNCc1c(O)cccc1Cl 733328559 UKODNKOTGAKDQS-UHFFFAOYSA-N 318.826 1.561 10 10 DDCE COCCN1CCC(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 588404625 GPDXSEYHIMUXRT-HYXAFXHYSA-N 320.389 1.338 10 10 DDCE CCN(Cc1cnn(C)c1)C(=O)/C=C\c1ccc(O)c(O)c1 588405587 QACZWKHYBKPDRL-ALCCZGGFSA-N 301.346 1.893 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCNC[C@H]2C)c1 841988520 LDYNTCCDLTZAGG-UHIISALHSA-N 307.394 1.759 10 10 DDCE COCCN1CCN(Cc2cc3c(cc2O)OCO3)C(C)(C)C1 846101998 JOOCAZSDSGHPKP-UHFFFAOYSA-N 322.405 1.664 10 10 DDCE Cn1nccc1[C@@H]1COCCN1C(=O)c1cccc(O)c1O 846613757 ZIQFEVCVTAKRRJ-LBPRGKRZSA-N 303.318 1.045 10 10 DDCE CCOc1cccc(CN[C@@H](C(=O)O)c2ccnn2C)c1O 843039713 QNWGZSOUVONBRZ-CYBMUJFWSA-N 305.334 1.440 10 10 DDCE CC(=O)c1cc(F)cc(CN2CC[C@@H](O)C(F)(F)C2)c1O 852411124 DZGRIHPRNMTRJH-GFCCVEGCSA-N 303.280 1.936 10 10 DDCE COc1ccc(N2CCN(C[C@@H](O)CC3(O)CCC3)CC2)cc1 859056283 WDYIVCHKNSBXKZ-INIZCTEOSA-N 320.433 1.483 10 10 DDCE Cc1ccc(O)c(CNC(=O)NCCCN2CCOC2=O)c1 858235013 WLOACPUBROJORN-UHFFFAOYSA-N 307.350 1.342 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2C[C@H]3CC[C@H]2[C@H](N)C3)cc1 852766804 KVFNVQGAGZETSP-UAGQMJEPSA-N 316.449 1.180 10 10 DDCE CCOC(=O)[C@H]1[C@H]2CN(C(=O)Nc3ccc(N)cc3)CC[C@H]21 926143903 QKPWVFOVQVGDQN-HZSPNIEDSA-N 303.362 1.932 10 10 DDCE C[C@H](N[C@@H](CO)c1ccnn1C)c1cc([N+](=O)[O-])ccc1O 858434982 VSRHBCYEKLWVAB-CABZTGNLSA-N 306.322 1.418 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@H](C)C3)C2)cc1 852447330 ABIVWVVWVSXIDK-ZIAGYGMSSA-N 319.405 1.704 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CC[C@H]3CCNC3)C2)cc1 852843998 MHYODIDHOSANDM-LSDHHAIUSA-N 317.433 1.780 10 10 DDCE C/C=C/CNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 863582680 QZWVGMFGKJDHFZ-REMYHPOOSA-N 319.449 1.344 10 10 DDCE CC[S@](C)(=O)=NS(=O)(=O)N(C)Cc1ccccc1O 866835085 UKRYUVNJTGCQDA-SFHVURJKSA-N 306.409 1.187 10 10 DDCE CCOc1ccncc1S(=O)(=O)N1Cc2cccc(O)c2C1 867691522 ZCJVULAGXGLWME-UHFFFAOYSA-N 320.370 1.890 10 10 DDCE CCO[C@@H]1COCC[C@@H]1CC(=O)NCc1ccc(O)c(O)c1 866769306 KBRCGOSYQOILEM-IUODEOHRSA-N 309.362 1.546 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@H](CCC(N)=O)C(=O)O)cc1 1119549503 KSJJORDOIZSNNV-RDFMZFSFSA-N 305.378 1.074 10 10 DDCE C[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CCN1CCO 779213473 KBXDUNARNLHAHC-SNVBAGLBSA-N 302.777 1.683 10 10 DDCE CC1(C)[C@@H](NC(=O)c2cc(O)cs2)C[C@H]1N1CCOCC1 880503454 YACGXZHGFVBFFY-QWHCGFSZSA-N 310.419 1.683 10 10 DDCE COC(=O)c1coc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1 784709019 FGGOQRUEWFPWTA-UHFFFAOYSA-N 320.253 1.517 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@H]3C[C@]3(CO)C2)cc1F 782952839 FQOFCTJAZHZWCE-MLGOLLRUSA-N 307.369 1.416 10 10 DDCE CNC(=O)[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 897995115 CQKFHWFPTCJCMK-QMMMGPOBSA-N 320.370 1.521 10 10 DDCE CCOc1ccc(O)c(CN2CCN(Cc3nc[nH]n3)CC2)c1 1334382991 DDCUMBGMPFILEN-UHFFFAOYSA-N 317.393 1.227 10 10 DDCE C[C@H](NC(=O)N1CC[C@H](O)[C@@H](CO)C1)c1ccc(N(C)C)cc1 1226646604 COMLOPNIZCIBKR-BJJXKVORSA-N 321.421 1.198 10 10 DDCE O=C(O)CCN(CCO)Cc1ccc(Br)cc1O 1963598317 RLNWMBIDMWIYKG-UHFFFAOYSA-N 318.167 1.424 10 10 DDCE CN1C[C@H](NCc2cccc(Br)c2O)CCC1=O 84061287 KECQSRGGWUUABF-SNVBAGLBSA-N 313.195 1.865 10 10 DDCE COc1ccc(CNCC2(O)CCN(C(C)=O)CC2)cc1C 1502848369 PSVUYGRJJCNLGD-UHFFFAOYSA-N 306.406 1.467 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCC2(CCOCC2)O1 1558624537 DNRORBFTUFSTHG-CYBMUJFWSA-N 321.373 1.485 10 10 DDCE CN(C)c1ccc(C=CC(=O)N2CCC3(C2)OCCO3)cc1 1912135722 AEDDLXWMFHHPBE-UHFFFAOYSA-N 302.374 1.741 10 10 DDCE O=C(NC[C@@H]1CCN(CC(F)F)C1)c1cccc(O)c1O 1650900372 MVZJYLUAFLSQKN-VIFPVBQESA-N 300.305 1.415 10 10 DDCE COc1cc(N(C)Cc2cnn(C)c2)c([N+](=O)[O-])cc1OC 1651312832 DCTBGNVBHWZOJE-UHFFFAOYSA-N 306.322 1.982 10 10 DDCE COC1CCN(c2ccc(CN3C[C@H](O)C[C@H]3CO)cc2)CC1 1653362546 JIWIRRKYGDHQCN-DLBZAZTESA-N 320.433 1.229 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)Cc2cnoc2)cc1C 1669645461 WEVWLHNPRLPVCN-ZDUSSCGKSA-N 317.389 1.829 10 10 DDCE CNC(=O)Nc1cccc(C(=O)NCc2cccc(O)c2O)c1 1593744719 RQMZMGQMXZDQHX-UHFFFAOYSA-N 315.329 1.779 10 10 DDCE COc1ccc(Br)c(CNC[C@H](O)CF)c1O 1965988421 OJQCRHFMGYBOID-SSDOTTSWSA-N 308.147 1.583 10 10 DDCE COCC(=O)NC[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1691761487 NKKDDJUNUNNGRH-SHTZXODSSA-N 306.406 1.634 10 10 DDCE C[C@H]1SC(=S)N(CC(=O)NCCc2ccccc2)C1=O 11635491 RVSWELNWCRJJSO-SNVBAGLBSA-N 308.428 1.594 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccnnc1 153708648 MKKMERQAUROPLL-UHFFFAOYSA-N 312.373 1.585 10 10 DDCE Nc1ccc(OCCCN2CC(NC(=O)C(F)(F)F)C2)cc1 1977921684 XVYQWXJPWPYNQI-UHFFFAOYSA-N 317.311 1.400 10 10 DDCE CC[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCS1 157236745 JIPYUQQIWISUEG-ZDUSSCGKSA-N 300.449 1.926 10 10 DDCE CS(=O)(=O)N1CCC(NCc2cccc(Cl)c2O)CC1 158097056 OCCVWFKBQVQEIZ-UHFFFAOYSA-N 318.826 1.559 10 10 DDCE CCN[C@@H](C)c1ccc(N2CCS(=O)(=O)CC2)c(F)c1 36162049 PIRVDSHLLCDLBG-NSHDSACASA-N 300.399 1.731 10 10 DDCE CCNCc1ccc(N2CC[C@@H]2C(N)=O)cc1Br 2028919284 GOQFGKGEIWUAJJ-GFCCVEGCSA-N 312.211 1.623 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)CS[C@H]1CCS(=O)(=O)C1 701317038 QGZSUWZIMQWEIZ-ZJUUUORDSA-N 318.424 1.208 10 10 DDCE CN(CC(C)(CO)CO)c1ccc(CN)cc1Br 689819646 KFYMHCSRMGCZGX-UHFFFAOYSA-N 317.227 1.335 10 10 DDCE O=C1Nc2cc(N3CCOC[C@@H]3CF)c(Cl)cc2[C@@H]1O 2182594850 BGVVPGWQZWYCND-MADCSZMMSA-N 300.717 1.500 10 10 DDCE CN1C[C@@H](N(C)c2ccc(CN)cc2Br)CC1=O 2068208563 FMEZVULBQNYWNW-JTQLQIEISA-N 312.211 1.575 10 10 DDCE COc1nscc1S(=O)(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2225799777 MAESNFOGWLJUAR-RQJHMYQMSA-N 303.369 1.661 10 10 DDCE Nc1ccc(OC[C@H](O)C[S@](=O)CCC(F)(F)F)cc1 2283702130 LCYTZESIFYWQNI-WVDJIFEKSA-N 311.325 1.710 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@@H]1Cn1ccnc1 2308001791 PAJFTUADKYTZEX-CQSZACIVSA-N 313.357 1.999 10 10 DDCE Cc1ccc(CN2CCNC[C@@H](O)C2)c(O)c1Br 2327630339 JOFCVHJARYLYCC-LLVKDONJSA-N 315.211 1.229 10 10 DDCE Cc1ccc(CN[C@@H]2CCNC(=O)C2)c(O)c1Br 2327621360 MKPGHKWLFVICPK-SNVBAGLBSA-N 313.195 1.831 10 10 DDCE Cc1ccc(CN2CCNC[C@H]2CO)c(O)c1Br 2327789800 OQONWKIIUUIDDF-NSHDSACASA-N 315.211 1.229 10 10 DDCE CCOCCN1CCN(Cc2cc([N+](=O)[O-])ccc2O)C[C@@H]1C 106111025 VSJBYEHBVOMNGY-ZDUSSCGKSA-N 323.393 1.843 10 10 DDCE CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC1(CO)CC1 186780932 FLZHINSXCTWNFR-UHFFFAOYSA-N 319.449 1.415 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCCNC(=O)[C@H]2C)c1O 189338840 IPWWJJTXLNDOAW-SECBINFHSA-N 310.781 1.959 10 10 DDCE COc1cc(Cl)c(N2C[C@H](N(C)C)[C@H](O)C2)c(OC)c1 2368095855 LOSUZJCWZNFMGG-NWDGAFQWSA-N 300.786 1.468 10 10 DDCE Nc1ccc(O)c(CN2CC[C@H](S(=O)(=O)C(F)F)C2)c1 2368586865 PNSFQINRWUTIIW-JTQLQIEISA-N 306.334 1.186 10 10 DDCE CC(=O)NCc1ccc(C(=O)NCCc2ccc(N)cc2)s1 236665401 LUSQUAVOPPTCLE-UHFFFAOYSA-N 317.414 1.939 10 10 DDCE O=S(=O)(NC1CCCC1)C1CN(Cc2ccccc2O)C1 360682274 SZYSDHZBUWVNLK-UHFFFAOYSA-N 310.419 1.438 10 10 DDCE O=C(C1CC1)[C@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 801265812 APNIMVFETSWGJW-OYLQIYHASA-N 317.341 1.318 10 10 DDCE COc1ccc(N2CC[C@@H](CN3C(=O)N[C@@H](CF)C3=O)C2)cc1 819177482 TYDDPPOFHOIWGQ-RISCZKNCSA-N 321.352 1.411 10 10 DDCE CC[C@H]1NC(=O)N(C[C@H]2CCN(c3ccc(OC)cc3)C2)C1=O 819175807 AMZXNCNCBVJIJK-SWLSCSKDSA-N 317.389 1.852 10 10 DDCE Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCc2cc(F)c(F)cc21 900206855 BYGUQHWNBHGMRA-UHFFFAOYSA-N 319.311 1.832 10 10 DDCE O=C(COC(=O)c1cn2c(n1)CCC2)c1ccc(O)c(O)c1 829835002 UFWFXBVXTMTXKC-UHFFFAOYSA-N 302.286 1.280 10 10 DDCE CCc1nc[nH]c1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 912293449 XDHCYSCLPBIPRX-GFCCVEGCSA-N 314.389 1.989 10 10 DDCE Cc1cc(Br)cc(CN[C@H]2C[C@@H](C(N)=O)C2)c1O 846046000 BHWDAWQRHWZCHX-DKTWLAJQSA-N 313.195 1.817 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C[C@]1(C)CCNC1 843060761 PECXYUSFYKRUAH-GOSISDBHSA-N 303.450 1.955 10 10 DDCE CN(C)c1ccc(CNC[C@H]2CN(C3CC3)C(=O)O2)cc1F 848576821 CDJZMDHOJNQYHH-ZDUSSCGKSA-N 307.369 1.965 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CO[C@@H](C)C3)C2)cc1 852396710 NSMJQTTUUHMLTG-IHRRRGAJSA-N 319.405 1.751 10 10 DDCE C[C@H]1[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C 925313046 LDYCHEQRLKXWJR-XJKSGUPXSA-N 304.438 1.987 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cc3nonc3C)C2)cc1 855226323 RDIGBYPDLVZIRJ-GFCCVEGCSA-N 316.361 1.324 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@@H]3C)C2)cc1 855225461 JHHKDNDWRUDWQI-DVOMOZLQSA-N 304.390 1.815 10 10 DDCE CN(C)c1ccc(CNC(=O)CN[C@@H](CO)C2CCC2)cc1 852320173 GTRVHMHCXQBVON-INIZCTEOSA-N 305.422 1.119 10 10 DDCE O=C(/C=C\COC1CCOCC1)NCCc1ccc(O)c(O)c1 866756904 CEWQKGHNEVWJDU-UPHRSURJSA-N 321.373 1.508 10 10 DDCE CN(C)c1ccc(CNC(=O)C2(N3CCOCC3)CC2)cc1F 865051465 LJCUFEBMINBDHR-UHFFFAOYSA-N 321.396 1.373 10 10 DDCE COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c1O 762524093 HJLPZKNELYCYAZ-UHFFFAOYSA-N 303.274 1.634 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1Cc2cccnc2C1 1123779046 GYYGSVJNOZDGSR-RISCZKNCSA-N 312.369 1.955 10 10 DDCE COc1cc(C)cc(CNCCCCN2CCOCC2)c1O 894183593 YUPFEYPOTCMDRM-UHFFFAOYSA-N 308.422 1.911 10 10 DDCE C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1329466977 BTJMUZNKJKUREG-VXGBXAGGSA-N 302.374 1.881 10 10 DDCE N=c1[nH]c(Br)cc(=NCCOc2ccc(N)cc2)[nH]1 2117200644 VFBSRRLHNKBIRG-UHFFFAOYSA-N 324.182 1.147 10 10 DDCE CC[C@H]1CO[C@@H](C)CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1351809538 KDZVOOFGDZULAV-AAEUAGOBSA-N 318.373 1.260 10 10 DDCE Cc1ccc(C(=O)NC2[C@H]3CC4C[C@H]2CN(C4)C3)c(O)c1O 1520257734 PYHXUEITQPEODU-ATJQQHLPSA-N 302.374 1.476 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1c[nH]nc1[C@@H]1CCCO1 1294869840 NRYWBOFLXVVRSP-ZDUSSCGKSA-N 303.318 1.602 10 10 DDCE COc1cc2c(cc1C(=O)NCc1cc(O)ccc1O)OCO2 1558175156 GEKFYPFKEQLSMA-UHFFFAOYSA-N 317.297 1.765 10 10 DDCE COc1ccc(CNC(=O)Cc2ccc(OC)c(O)c2)c(O)c1 1639458683 CBLSKCOSHARRDK-UHFFFAOYSA-N 317.341 1.974 10 10 DDCE Nc1ncnc2cc(C(=O)NCc3c(O)cccc3O)ccc12 1639292910 VJBPOGGMAVSKQS-UHFFFAOYSA-N 310.313 1.553 10 10 DDCE CC(=O)Nc1ccc(O)c(C(=O)NCc2c(O)cccc2O)c1 1645363328 QOADWRCOIHNLMS-UHFFFAOYSA-N 316.313 1.692 10 10 DDCE COC[C@H](C)C(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1 1662180304 RZSHYMVZTMUZKF-UONOGXRCSA-N 308.422 1.880 10 10 DDCE Nc1nn2c(nc(N)c3c(N)n[nH]c32)c1/N=N/c1ccccc1 5286298 CBOZYCAVXDONAY-VHEBQXMUSA-N 308.309 1.768 10 10 DDCE CN(C)c1ccc([C@@H]2[C@@H](N)CC(=O)N2C[C@H]2CCCO2)cc1 250351687 JYKIIKCJOUTQAK-HLLBOEOZSA-N 303.406 1.532 10 10 DDCE CS(=O)(=O)N1CCC(NCc2c(O)cccc2F)CC1 896636229 AXWMYFOVYAZVOP-UHFFFAOYSA-N 302.371 1.045 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NCc2ccc(O)cc2O)C1 1985826754 CYFUIIYAVFLAGT-OCCSQVGLSA-N 324.377 1.168 10 10 DDCE C[C@H](NCc1cc(F)ccc1O)[C@H]1CCCS(=O)(=O)C1 2146101619 YPQUPMVKKWETRD-QWRGUYRKSA-N 301.383 1.834 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(N)cc1 1993235625 PJMPPXBZQDISRN-OLZOCXBDSA-N 321.377 1.578 10 10 DDCE NCc1ccc(N2CC[C@@H]3[C@@H](CO)[C@@H]3C2)cc1Br 2032183879 FNYMBPGNFXKLSK-YNEHKIRRSA-N 311.223 1.972 10 10 DDCE N[C@@H]1COCCN(Cc2cc(Br)cc(F)c2O)C1 2034723483 QSDBBGWFHYIEBL-JTQLQIEISA-N 319.174 1.453 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 692821053 DXQWSLWLNWISAN-ZETCQYMHSA-N 304.763 1.537 10 10 DDCE NC(=O)N1CCN(Cc2cccc(Br)c2O)CC1 722180723 RSBHYIXJDSZWAO-UHFFFAOYSA-N 314.183 1.351 10 10 DDCE O=C(O)C1(CO)CN(Cc2c(O)cccc2Br)C1 2081049441 MNAQXQYPFHMMKL-UHFFFAOYSA-N 316.151 1.034 10 10 DDCE C[C@H]1[C@H](C)S(=O)(=O)CCN1c1ccc(CO)c(Cl)c1 2113954208 FGXURWXVUKRDRD-UWVGGRQHSA-N 303.811 1.844 10 10 DDCE CO[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)CSC 2225795524 OOGHBAGGITVJCH-GFCCVEGCSA-N 304.437 1.066 10 10 DDCE CC(=O)C(=O)C1(O)CCC(NC(=O)OCc2ccccc2)CC1 2241900688 VQBKEJIVRJYHQC-UHFFFAOYSA-N 319.357 1.745 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H]2[C@H](O)CO)c(Br)c1 2258345900 NCIYCWBEXCVWON-BZHVJNSISA-N 315.211 1.401 10 10 DDCE COC[C@@](C)(O)CNCc1ccc(C)c(Br)c1O 2327632620 ZJMMHZUMPNJYDX-ZDUSSCGKSA-N 318.211 1.950 10 10 DDCE Cc1ccc(CN(C)CC(=O)N(C)C)c(O)c1Br 2327797428 WHTCMMZQUFSQHT-UHFFFAOYSA-N 315.211 1.983 10 10 DDCE CCCc1nc(NN(C)S(=O)(=O)CC)sc1C(=O)O 2339733288 WCORZUHBJLHMSR-UHFFFAOYSA-N 307.397 1.402 10 10 DDCE CCC(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccccc1O 102784292 VCTMFZZBQPBDKR-LBPRGKRZSA-N 308.403 1.662 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccnn1C 26396002 FSTYBFPSIUZLMG-UHFFFAOYSA-N 301.394 1.828 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CCN(Cc4ccccc4)CC3)ccc21 309904407 FTBZYNUOWJPLBU-GOSISDBHSA-N 322.412 1.961 10 10 DDCE Cc1n[nH]c(C)c1CNC(=O)[C@H](C)Cc1ccc(O)c(O)c1 170033476 CKLTZNKQEYKNMR-SECBINFHSA-N 303.362 1.933 10 10 DDCE COc1ccc(O)c(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 183277437 PQMHBZLXMAIPOQ-UKRRQHHQSA-N 313.419 1.846 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C[C@H](O)C(F)(F)F 121033505 DZCTZVHURUXFJW-AWEZNQCLSA-N 318.339 1.878 10 10 DDCE COc1ccc(CN2CCN(c3cnn(C)c3)CC2)c(O)c1 126130469 KMIUGAXPBJAKAQ-UHFFFAOYSA-N 302.378 1.457 10 10 DDCE O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1CCO 210387174 WKVYRNLFCTUWMD-JXMROGBWSA-N 310.356 1.788 10 10 DDCE C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H]1N1CCOCC1 180234708 VZMKAHRBDNPEET-OCCSQVGLSA-N 320.389 1.273 10 10 DDCE COC[C@H](O)CN(C)c1cc(Br)c(CN)cc1F 380779329 WEUBMQGQYKZHRH-SECBINFHSA-N 321.190 1.490 10 10 DDCE O=C(NCc1cc(Br)ccc1O)NCC1COC1 528307885 QPXHPYHGNJKOBG-UHFFFAOYSA-N 315.167 1.600 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)c1O 249638061 XEDMIDJZOKYGIZ-NGALJYNOSA-N 305.349 1.935 10 10 DDCE CCOc1ccc(O)c(CN(CCN(C)C)CCN(C)C)c1 809740697 AUQSAIGSDDYENV-UHFFFAOYSA-N 309.454 1.716 10 10 DDCE Nc1ccc(OC[C@H](O)CS(=O)(=O)c2cccs2)cc1 722434040 PEXNJCZRKPFIJR-NSHDSACASA-N 313.400 1.544 10 10 DDCE CC(F)(F)[C@@H]1C[C@@H]1CS(=O)(=O)NCc1ccc(N)cc1 2164633383 JFHJDWRVFNNNRK-ZYHUDNBSSA-N 304.362 1.980 10 10 DDCE OCc1cn(CCCNCc2cc(Cl)c(F)cc2O)nn1 293998882 SPMBXIVDNIAANG-UHFFFAOYSA-N 314.748 1.448 10 10 DDCE Cc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nnn1C(C)C 816028617 KIZIYWRORYPEOZ-JTQLQIEISA-N 318.377 1.940 10 10 DDCE CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1cc(OC)ccc1O 907061609 VCXLHLZRSYZISA-QWHCGFSZSA-N 307.346 1.606 10 10 DDCE CN(C)c1ccc(/C=C\CNCCN2CCCS2(=O)=O)cc1 835036863 GDAMCOQQFKYNPK-HYXAFXHYSA-N 323.462 1.391 10 10 DDCE C/C=C\[C@@H](O)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 913481843 BEVQFOLOUOXYBG-FOSCPCJNSA-N 320.389 1.289 10 10 DDCE O=C(NC[C@]1(CO)CCc2ccccc21)c1cccc(O)c1O 846341450 COGGEQIAPKZJEM-SFHVURJKSA-N 313.353 1.704 10 10 DDCE C[C@@H](N)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 841729801 JQRBFPCGXXZDBY-CHWSQXEVSA-N 306.410 1.058 10 10 DDCE CCN1CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1=O 925985293 MVYNQVOKYYLSLS-CYBMUJFWSA-N 303.362 1.428 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cccc3ncnn23)cc1F 753680464 VAFUMNWPHCWAEV-UHFFFAOYSA-N 313.336 1.864 10 10 DDCE COC[C@H](NC(=O)c1ccc(C)c(O)c1O)C1CCOCC1 855291475 NENCIUWBXZQWEL-ZDUSSCGKSA-N 309.362 1.578 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)[C@@H](C)OC)C2)cc1 852272166 YOSLRHJKBVCEOK-BFHYXJOUSA-N 321.421 1.997 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@@H]1NCCNC1=O 1952882837 HKALYRAOVOMVCF-LBPRGKRZSA-N 307.350 1.500 10 10 DDCE COC1(OC)CCN(Cc2ccc(N(C)C)c(C)c2)C[C@H]1O 931636393 WDOAXMYPSCYPDV-MRXNPFEDSA-N 308.422 1.617 10 10 DDCE CC(=O)C(=O)COC(=O)CCC1CN(C(=O)OC(C)(C)C)C1 860387585 QOZTZJMVHVKCFQ-UHFFFAOYSA-N 313.350 1.335 10 10 DDCE COC(=O)[C@@H](CC1CCOCC1)NC(=O)c1cc(O)cs1 881740820 YYQCDFDAFMIVFL-LLVKDONJSA-N 313.375 1.542 10 10 DDCE CC[C@H](CO)N1CCN(Cc2cc(C)cc(OC)c2O)CC1 894062545 ALURHYMPKTWRDE-OAHLLOKOSA-N 308.422 1.598 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1[C@@H]2CCCO[C@H]21 780395894 AHCZWTUSMAENCA-GVDBMIGSSA-N 316.401 1.564 10 10 DDCE CC(C)(C)[C@H](O)C[C@H](CO)NCc1cc([N+](=O)[O-])ccc1O 790619649 QRDVDDUGUOZJKK-BXUZGUMPSA-N 312.366 1.548 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCO[C@]2(CCOC2)C1 1137889079 PGDFUBSZKNUZRH-BLLLJJGKSA-N 307.346 1.095 10 10 DDCE COC(=O)CC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1165470780 ZPEFBMMOMMHQEB-UHFFFAOYSA-N 304.306 1.675 10 10 DDCE COc1ccc(N2CC[C@@H](Nc3ccc(C(N)=O)cn3)C2)cc1 1330668822 OBWZBMMFABGSGJ-CYBMUJFWSA-N 312.373 1.880 10 10 DDCE CC(C)(C)OC(=O)NCCCNC(=O)Cc1ccc(O)c(O)c1 1464935868 OUJSEDQJVIUFQI-UHFFFAOYSA-N 324.377 1.671 10 10 DDCE CCN1CC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1603555344 PIZOLRJZKJCSNK-DLBZAZTESA-N 318.465 1.566 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2nn[nH]c2n1 1466790509 HOHNARCXVHDLHV-QMMMGPOBSA-N 313.317 1.125 10 10 DDCE CN(C)[C@H]1COC[C@@H]1NCc1c(O)cccc1Br 1921758537 XLFNCNFAYAMAKF-RYUDHWBXSA-N 315.211 1.573 10 10 DDCE CCOC(=O)N[C@@H](C(=O)NCc1cc(O)ccc1O)C(C)C 1558174065 CUVOEECGKJDAIF-CYBMUJFWSA-N 310.350 1.485 10 10 DDCE C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCc1cc(O)ccc1O 1558175046 YXTUKUKTQXVCJH-RISCZKNCSA-N 309.362 1.688 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC1CCN(C2CC2)CC1 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302.330 1.234 10 10 DDCE O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1cccc(O)c1O 192986512 ZDOKGGBQHPMDTM-LLVKDONJSA-N 314.345 1.287 10 10 DDCE CCNC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O 285603425 BTEGJIPELVIGAB-LBPRGKRZSA-N 320.389 1.927 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N2CCCSCC2)cc1 283445622 KFDGZVLYGAXWPA-UHFFFAOYSA-N 321.446 1.334 10 10 DDCE COC[C@H](CCCN)N[C@H](C)c1ccc(N2CCOCC2)cc1 817891690 NJTRAFVCZXIHID-WBVHZDCISA-N 321.465 1.928 10 10 DDCE C/C(=C\C(=O)NCc1cc(Cl)ccc1O)CN1CCOCC1 820540553 NMUXJRZMUQDNLS-XYOKQWHBSA-N 324.808 1.940 10 10 DDCE C[C@@H]1CCCN(CCNC(=O)/C=C\c2ccc(O)c(O)c2)C1 588406310 JRSIGIQWEPBGLK-SCXUMTSISA-N 304.390 1.959 10 10 DDCE CCN(C)c1ccc(CN[C@H](C(=O)OC)c2ccnn2C)cc1 830369065 GGTUSDLAFFXZFC-INIZCTEOSA-N 316.405 1.880 10 10 DDCE CN(C)c1ccc(CN(Cc2ccco2)C(=O)CC(N)=O)cc1 746118007 PJKBMKALHBPCDM-UHFFFAOYSA-N 315.373 1.750 10 10 DDCE C/C=C\[C@H](O)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 913481846 BEVQFOLOUOXYBG-XVWMLYKFSA-N 320.389 1.289 10 10 DDCE 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C[C@H]1CNC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 843126801 WMPNZQXNKQLUBE-HIFRSBDPSA-N 307.413 1.750 10 10 DDCE CO[C@](C)(CO)CNC(=O)NCc1ccc(N(C)C)cc1C 847317951 ATTUJLNMOKDDCO-INIZCTEOSA-N 309.410 1.258 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCCN)C2)cc1 851665908 FRLRIOANOWJQHU-KBPBESRZSA-N 320.437 1.701 10 10 DDCE O=C1CC[C@@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)N1 853411505 IMJWMULLCGGLPI-AWEZNQCLSA-N 316.405 1.365 10 10 DDCE NC1(CC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 852860043 IJESRIMFSPNHKL-UHFFFAOYSA-N 305.447 1.737 10 10 DDCE CCOC(=O)C12CC(CN1C(=O)/C=C\c1ccc(O)c(O)c1)C2 856251087 YVXIRXLXQLCLRG-XQRVVYSFSA-N 317.341 1.665 10 10 DDCE CC[S@](C)(=O)=NS(=O)(=O)NCc1cc(C)ccc1O 867558963 DTNNRZDVWVEGCH-SFHVURJKSA-N 306.409 1.153 10 10 DDCE CO[C@@H](C(=O)NCc1ccc2cccnc2c1O)[C@@H]1CCOC1 862024585 BSJHTRYQXKBGPK-CZUORRHYSA-N 316.357 1.608 10 10 DDCE COc1ccc(N2CCN(c3nccnc3F)CC2)c(OC)c1 866138503 LYQXMZYWCGHKIY-UHFFFAOYSA-N 318.352 1.960 10 10 DDCE CCOc1ccc(O)c(CN[C@@]2(CC(=O)OC)CCOC2)c1 766465686 CIDJSTXWOVNNLE-MRXNPFEDSA-N 309.362 1.603 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCC[C@H](O)C(F)(F)F 779520803 VSXPAAAXLFXAQN-FWEMWIAWSA-N 305.252 1.541 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C(N)=O)CC[C@H]2C)c1O 774841149 NYVBIIQKNZGLRG-KOLCDFICSA-N 323.349 1.395 10 10 DDCE C[C@H](N)c1ccc(N2CCC[C@@H]2C(N)=O)cc1Br 701653946 DPYVMYPIOLYGEM-QPUJVOFHSA-N 312.211 1.923 10 10 DDCE C[C@H](NCC(=O)Nc1ccccc1C(N)=O)c1ccccc1O 1308010432 OGWNUTOZRFEXNZ-NSHDSACASA-N 313.357 1.780 10 10 DDCE Nc1ccc(OCC(=O)Nc2nccnc2Br)cc1 2121644659 NWNRRYYKOYPROW-UHFFFAOYSA-N 323.150 1.839 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)NCC1(CN=[N+]=[N-])CC1 2117725338 RYIPJOSQWQESJS-UHFFFAOYSA-N 304.763 1.442 10 10 DDCE COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1cccs1 1442649005 OAXPOUGLPHYJEO-NSHDSACASA-N 307.327 1.803 10 10 DDCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](CO)c1ccccc1 1298376764 GPVJZXJDZZVZRD-AWEZNQCLSA-N 301.342 1.832 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)[C@H](C)C2CC2)cc1C 1485984796 RVQSBTLLTJHDPX-CJNGLKHVSA-N 320.433 1.616 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCOC(=O)N1 1624630578 VWUCTKIOUCWVGD-OAHLLOKOSA-N 317.389 1.744 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccccc1-n1cnnn1 1635843348 NMXWEFIZJLYTKX-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/[C@H]1COC(C)(C)O1 1633818080 DLNGHDHASPEPSY-HASJVIIQSA-N 321.373 1.853 10 10 DDCE C[C@@H](CC(=O)NCc1c(O)ccc2ccccc12)NC(N)=O 1645443971 ZTDXARIMWJNQAR-JTQLQIEISA-N 301.346 1.609 10 10 DDCE CC1CCN(C[C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)CC1 1584511137 NNJAYGFNSJUNPX-CYBMUJFWSA-N 306.406 1.877 10 10 DDCE COc1ccc(Br)c(CNc2cn(C)nn2)c1O 1969511475 QOWJZVRVUBGFEW-UHFFFAOYSA-N 313.155 1.904 10 10 DDCE NCc1ccc(N2CCS(=O)(=O)CC2)c(C(F)(F)F)c1 41114441 KPFDIEDYLGAXBT-UHFFFAOYSA-N 308.325 1.399 10 10 DDCE COCCOCC[S@](=O)CCCOc1ccc(N)cc1 2145903114 LCHIUUUPHBHFFR-HXUWFJFHSA-N 301.408 1.449 10 10 DDCE OCC1(NCc2cc(Cl)cc(Br)c2O)COC1 2015357956 IKZHPHKOVNLRIM-UHFFFAOYSA-N 322.586 1.659 10 10 DDCE NCc1ccc(N2CCOC[C@@H](CO)C2)c(Br)c1 2036939430 QKTWSQISOPLORL-LLVKDONJSA-N 315.211 1.353 10 10 DDCE O=[S@]1CC[C@@]2(CCCN2c2c(F)cc(CO)cc2F)C1 2158461297 CLQGKPUZLGZNTD-XOBRGWDASA-N 301.358 1.949 10 10 DDCE C[C@@H](O)c1ccc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)c(F)c1 2170330516 QBZGBLBKUJGVAP-GMTAPVOTSA-N 301.383 1.891 10 10 DDCE COc1ccc(N(C)[C@@](C)(CN)[C@@H](C)S(C)(=O)=O)cc1 2170647941 HSFQBBOJXZYMBQ-RISCZKNCSA-N 300.424 1.282 10 10 DDCE CNC(=O)CC1CN(c2ccc(CN)c(Br)c2)C1 382361836 JRSPAWINRQCFLK-UHFFFAOYSA-N 312.211 1.480 10 10 DDCE N[C@@H]1[C@H]2C[C@H]1N(Cc1cc(Br)cc(F)c1O)C2 715791639 IQRPUUVJVCBISG-MQOMDTIOSA-N 301.159 1.825 10 10 DDCE NCc1cc(F)c(N2C[C@]3(CO)C[C@]3(CO)C2)cc1Cl 2177381235 KXJJXCDWWFPZAR-OKILXGFUSA-N 300.761 1.119 10 10 DDCE O=C1Nc2cc(N3CCSCC(F)(F)C3)ccc2[C@H]1O 2193336429 XLVQGJMTDCMJNV-LLVKDONJSA-N 300.330 1.861 10 10 DDCE N[C@H]1CN(Cc2c(O)cccc2Br)CC[C@H]1CO 2058516877 PNYHHVZXNWAXSE-CABZTGNLSA-N 315.211 1.296 10 10 DDCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCSC(F)F 2232501704 ZKYSAPKPWBUQFP-QMMMGPOBSA-N 306.334 1.040 10 10 DDCE CN(Cc1nncs1)c1cc2c(cc1Cl)[C@H](O)C(=O)N2 2281334947 YKRMRVWAMXVTCE-NSHDSACASA-N 310.766 1.813 10 10 DDCE CSc1ncc(CNC(=O)N2CC=CC[C@H]2C(=O)O)s1 2284544734 SHHUSTGLCOOOGW-VIFPVBQESA-N 313.404 1.790 10 10 DDCE CCc1cc(=NC[C@@H](O)c2ccc(O)c(O)c2)[nH]c(CC)n1 2297714358 PRLBIUNUABBMIL-CQSZACIVSA-N 303.362 1.580 10 10 DDCE CN(Cc1ccc(Br)cc1O)[C@H]1CNC[C@@H]1F 2303697922 OMEMCDGFJWVOIK-QWRGUYRKSA-N 303.175 1.896 10 10 DDCE Cc1ccc(CNCCC(CO)CO)c(O)c1Br 2327618979 PKUFZDZOSLUCAK-UHFFFAOYSA-N 318.211 1.544 10 10 DDCE COC(=O)[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCC1=O 100092519 LJKRUBRZHDOZIJ-INIZCTEOSA-N 316.401 1.851 10 10 DDCE COc1ccc(O)c(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 183277419 PQMHBZLXMAIPOQ-ZFWWWQNUSA-N 313.419 1.846 10 10 DDCE COc1ccc(O)c([C@@H](C)NCC2CCN(CCO)CC2)c1 185380410 PZWMJGQVQJHVND-CYBMUJFWSA-N 308.422 1.756 10 10 DDCE COCCN1CCN(C(=O)c2ccc(C)c(O)c2O)C[C@H]1C 182464687 VYHKCOYFMLXDJV-GFCCVEGCSA-N 308.378 1.199 10 10 DDCE COc1cc(O)c2c(c1O)C(=O)c1cccc(OC)c1C2=O 14725232 MHJJLGCCASIGNO-UHFFFAOYSA-N 300.266 1.890 10 10 DDCE biogenic C[C@H]1CO[C@@H](CO)CN1c1ccc(CN)c(Br)c1 228154657 UVGOSZRWBJIAOU-JOYOIKCWSA-N 315.211 1.494 10 10 DDCE CNCc1ccc(N(C)CC(=O)NC)c(Br)c1 234399821 GHABIGGKVIRCHW-UHFFFAOYSA-N 300.200 1.351 10 10 DDCE CN(C)c1ccc(CNC[C@]2(C(=O)O)CCCOC2)cc1F 901943595 NWXCCSRYPRRING-MRXNPFEDSA-N 310.369 1.863 10 10 DDCE COC[C@](C)(O)CCN[C@H](C)c1cc(C(=O)OC)ccc1O 834843028 GBVPZLNUNCHTDH-BDJLRTHQSA-N 311.378 1.617 10 10 DDCE COc1cc(Br)cc(CN[C@@H](C)[C@H](C)N)c1O 841077543 CIODYZCIIRKXFL-YUMQZZPRSA-N 303.200 1.989 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@]1(C(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2 849955765 AXDBFLYQOSZIBJ-NVGCLXPQSA-N 324.373 1.836 10 10 DDCE CN(C)c1ccc(CN[C@@H]2CCN(C3CCOCC3)C2=O)cc1 747622706 VIXGDBYVKBAISK-QGZVFWFLSA-N 317.433 1.622 10 10 DDCE COCc1cc(O)ccc1NS(=O)(=O)C[C@H]1CCCCO1 840915222 MKODJKYYVQXRNK-CYBMUJFWSA-N 315.391 1.849 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2C[C@H]1C[S@]2=O 844987691 CBPZPXLPWQMAQW-AYSMAOOMSA-N 321.446 1.476 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](OC)C3CC3)C2)cc1 855226795 SDSYEJFKDSVZQD-BBRMVZONSA-N 304.390 1.815 10 10 DDCE COc1ccc(N2CC[C@@H](NCc3ccnc(OC)n3)C2)cc1 850347150 ORCLGBRKNPFLEX-CQSZACIVSA-N 314.389 1.862 10 10 DDCE C[C@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(Cl)cc1O 927029379 ZTMJTSULZOWXAF-WCBMZHEXSA-N 307.799 1.102 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3NCC3(C)C)C2)cc1 851639981 OKWNNQXXVBNFLD-DOMZBBRYSA-N 303.406 1.388 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)[C@@H](C)OC)C2)cc1 852347275 YOSLRHJKBVCEOK-MGPQQGTHSA-N 321.421 1.997 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[C@@H](C)NC2)c1 861685051 CCAMCPNPGQRYLS-GRYCIOLGSA-N 307.394 1.902 10 10 DDCE Oc1cccc(F)c1CNCCn1ncc(Br)n1 1875998030 MPJKFOOJSNDKIU-UHFFFAOYSA-N 315.146 1.675 10 10 DDCE COc1ccc(CNC(=O)NCc2noc(C3CC3)n2)c(O)c1 793027872 VTLUUOHSCGLOGZ-UHFFFAOYSA-N 318.333 1.661 10 10 DDCE COC1([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)CCOCC1 1162191178 LQYOBROCELPTTF-LLVKDONJSA-N 309.362 1.341 10 10 DDCE CN1CCN(c2ccc(CN[C@H]3CCCN(C)C3)cc2F)CC1 1318368040 PNRMRDFOIWCIPR-INIZCTEOSA-N 320.456 1.761 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@@H]12 1895031240 CKRFTOZEPQDHSR-VSVTZAHASA-N 322.405 1.555 10 10 DDCE O=C(NCc1cc(Br)no1)c1cccc(O)c1O 719311051 ZDTYYRSRIAKGPE-UHFFFAOYSA-N 313.107 1.778 10 10 DDCE CC(C)C[C@](C)(O)CNS(=O)(=O)Cc1ccc(N)cc1 90267918 YZUCUGQPEAOYOU-AWEZNQCLSA-N 300.424 1.485 10 10 DDCE CN(C)CCn1ccc(NC(=O)N2Cc3cccc(O)c3C2)n1 1332949607 WRHHZMSHOMONDB-UHFFFAOYSA-N 315.377 1.698 10 10 DDCE CC(C)CN1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H](C)C1=O 1625720999 DWKNGURZHKXDPI-LBPRGKRZSA-N 320.389 1.356 10 10 DDCE COc1c(F)cc(C(=O)NCc2cccc(O)c2O)c(N)c1F 1633515590 HUARTZNDYXNELS-UHFFFAOYSA-N 324.283 1.897 10 10 DDCE COC(=O)c1cc(C)c(C(=O)NCc2ccc(O)c(O)c2)o1 1635959991 SLDIKMASJRKXOO-UHFFFAOYSA-N 305.286 1.716 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)c1ccc(O)cc1 1567467352 HUHBPXPTEOYGSH-SNVBAGLBSA-N 315.325 1.734 10 10 DDCE NC(=O)CC1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 1634917651 NZAFJSIKDPFXJB-UHFFFAOYSA-N 306.343 1.260 10 10 DDCE CC(=O)NCCCn1c(C)nnc1N(C)Cc1ccccc1O 1760676298 KWSRCPNMIFYEDP-UHFFFAOYSA-N 317.393 1.455 10 10 DDCE Cc1c(OCCOc2ccc(N)cc2)c(=O)ccn1C[C@H](C)O 1857911244 WCVIRGZZNNNKMQ-LBPRGKRZSA-N 318.373 1.578 10 10 DDCE CN(c1ccc(CO)c(Br)c1)C(C)(C)C(N)=O 1915540723 UBWCQNFWDFDZQN-UHFFFAOYSA-N 301.184 1.642 10 10 DDCE CN(c1cc2c(cc1Br)[C@@H](N)C(=O)N2)C1COC1 1915668915 YWXRXSWRUVYWMA-LLVKDONJSA-N 312.167 1.236 10 10 DDCE CC(C)(C)OC(=O)NCCNCc1cc2c(cc1O)OCO2 227600839 YJJZPSMHJHUHGY-UHFFFAOYSA-N 310.350 1.735 10 10 DDCE C[C@@H](ON)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1951992234 FSDGKWSGJQRVPL-MWLCHTKSSA-N 312.366 1.812 10 10 DDCE CCON(Cc1cc(Br)ccc1O)C1CNC1 2006367030 QGLZWOYUVWMPBO-UHFFFAOYSA-N 301.184 1.880 10 10 DDCE CO[C@@H]1C[C@@H](CN)N(Cc2c(O)cccc2Br)C1 2030288513 OTPMVJYIFXHIIX-VHSXEESVSA-N 315.211 1.703 10 10 DDCE NC(=O)N1CC[C@@H](NCc2ccc(Br)cc2O)C1 691397086 WOGLGAOPERKLRE-SNVBAGLBSA-N 314.183 1.397 10 10 DDCE CS(=O)(=O)[C@@H]1CCCN(c2ccc(CN)c(Cl)c2)C1 389163429 ZBJRHHSFSUXOPH-GFCCVEGCSA-N 302.827 1.812 10 10 DDCE C[C@@H](NCc1cc(Cl)cc(F)c1O)[C@H]1CN(C)CCN1C 1561016178 PULXYSNHGOZVCU-QMTHXVAHSA-N 315.820 1.909 10 10 DDCE C[C@H](CO)CS(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2183509656 GSZLWKDSKUZENI-SSDOTTSWSA-N 313.297 1.781 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1Br 2043185560 XBNRLGMKWDCSGI-IEBDPFPHSA-N 316.195 1.434 10 10 DDCE NCc1ccc(N2CC[C@@H](OCCO)C2)c(Br)c1 2046758390 BJZFAAJHZZLYNS-LLVKDONJSA-N 315.211 1.495 10 10 DDCE COc1ccc(O)c(CNCCS(=O)(=O)C(F)(F)F)c1 2232495364 RPKFPLOIASQCLL-UHFFFAOYSA-N 313.297 1.425 10 10 DDCE COc1ccc(N(C)[C@H](C)CCS(C)(=O)=O)c(CN)c1 2235961937 HUPVAPYOUHTLDB-LLVKDONJSA-N 300.424 1.413 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@@H]2CC[C@H](CN)C2)s1 2269280966 PEZBISHRAGHNQR-WCBMZHEXSA-N 321.493 1.412 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)c1c(Br)ncn1C 2300315362 ZOHLAKPLERUSPC-UHFFFAOYSA-N 301.148 1.955 10 10 DDCE Cc1ccc(CN[C@@H](C)[C@H](O)CO)c(O)c1Br 2307479696 LECUPACCHSZZBG-WCBMZHEXSA-N 304.184 1.294 10 10 DDCE Cc1ccc(CN2CC[C@@H](O)[C@H](O)C2)c(O)c1Br 2327623351 GSRKYFIEVZTDMZ-GHMZBOCLSA-N 316.195 1.391 10 10 DDCE Cc1cc(O)c(O)cc1CCNC(=O)c1cc(O)cc(O)c1 170215176 ILOJPVGVLCFETO-UHFFFAOYSA-N 303.314 1.790 10 10 DDCE CCN(CCO)c1cc2c(cc1Br)[C@H](N)C(=O)N2 118589967 CHKQOQJUAKJDOD-NSHDSACASA-N 314.183 1.220 10 10 DDCE COCCOC1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 172019339 GHFIXJSCJRGVGE-UHFFFAOYSA-N 310.350 1.928 10 10 DDCE CN(C)c1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1F 128617882 MJNXPBKGCPRODG-LBPRGKRZSA-N 315.414 1.015 10 10 DDCE CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(O)c1O 185827069 QCCRMCAYNOSROI-JTQLQIEISA-N 302.334 1.517 10 10 DDCE Cc1ccc(S(N)(=O)=O)cc1NCc1ccc(O)cc1O 37135373 FIMIVRZPZKFJAQ-UHFFFAOYSA-N 308.359 1.666 10 10 DDCE CC1(CNC(=O)NCc2ccc(N3CC=CC3)cc2)COC1 126998836 WJLVJABKCNROPR-UHFFFAOYSA-N 301.390 1.899 10 10 DDCE COc1cc(F)c([C@@H](NCCN=[N+]=[N-])C(N)=O)c(Cl)c1 2364009285 IPPISPHEODCOEW-SNVBAGLBSA-N 301.709 1.914 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)CC[C@H](C)O)c([N+](=O)[O-])c1 78417372 GPGTVNLSEAIDLI-ZRQQLDRUSA-N 308.334 1.988 10 10 DDCE CCNC(=O)N1CC[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)C1 273460466 IAVADUHYRVJHHH-QWRGUYRKSA-N 322.365 1.755 10 10 DDCE NC(=O)c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nn1 371433455 NEBZSHJYRPJBKV-UHFFFAOYSA-N 315.764 1.918 10 10 DDCE CN(Cc1cc(Cl)c(F)cc1O)[C@@H]1CCS(=O)(=O)C1 294771162 AXDJFZNCIQSNQR-SECBINFHSA-N 307.774 1.804 10 10 DDCE CCOC(=O)C(=O)[C@@H](N)c1cc(Br)cc(C)c1O 725275224 SSQRYMASKUJSOF-VIFPVBQESA-N 316.151 1.595 10 10 DDCE C[C@H](NC(=O)[C@@H]1[C@H]2COC[C@H]21)c1ccc(N2CCOCC2)cc1 823834503 HBAIKDMQEJDLCZ-KKBVYLPWSA-N 316.401 1.593 10 10 DDCE CN(C)CCn1cc(NC(=O)N(C)Cc2ccccc2O)cn1 747096992 WLVSZRNPUMKQSC-UHFFFAOYSA-N 317.393 1.814 10 10 DDCE COc1ccc(N2CCC(NC(=O)NC/C=C\CN)CC2)cc1 841779015 KJZVHWJNJLAUCS-IHWYPQMZSA-N 318.421 1.478 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)[C@@H]2COC(C)(C)C2)c1 859008792 RSOWFCSZJZBBJC-LBPRGKRZSA-N 315.391 1.388 10 10 DDCE C[C@@H](NC[C@@]1(O)CCCOC1)c1ccc(N2CCOCC2)cc1 851897598 QMHYDQJQTYQUCU-QAPCUYQASA-N 320.433 1.715 10 10 DDCE C[C@@H](NC[C@]1(OCCO)CCOC1)c1cc(F)cc(F)c1O 850506055 BRDHSGCYOPUQFB-MEBBXXQBSA-N 317.332 1.489 10 10 DDCE CCS(=O)(=O)C1(CNCc2cc3c(cc2O)OCO3)CC1 850398538 WXBLUPURGNOGRO-UHFFFAOYSA-N 313.375 1.178 10 10 DDCE CNC[C@@H](C)NC(=O)NCc1cc(Br)ccc1O 851680464 IPKWRRPWTZWNTF-MRVPVSSYSA-N 316.199 1.562 10 10 DDCE CCN(CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 855234077 RUPBITLFQQTXSQ-CQSZACIVSA-N 317.433 1.874 10 10 DDCE CN1CCCc2cc(CNC(=O)CC3CS(=O)(=O)C3)ccc21 865052383 CRJRJWSCMAGSJX-UHFFFAOYSA-N 322.430 1.120 10 10 DDCE CC(C)(C)CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(N)=O 1155938418 LAHCKJUCJFPWEI-HWPRWLFBSA-N 320.389 1.907 10 10 DDCE CS(=O)(=O)NC1CCN(Cc2ccc(Cl)cc2O)CC1 1474325971 QRKUXBHIKPMEGT-UHFFFAOYSA-N 318.826 1.559 10 10 DDCE CCNCc1ccc(N(C)[C@H](C)C(N)=O)cc1Br 711138687 DVEUSDKZQDUOGY-SECBINFHSA-N 314.227 1.869 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)CCc2cnn(C)n2)c1 1445965086 FANUIDBWUGMOCD-JTQLQIEISA-N 304.350 1.339 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc(Cn2cncn2)cc1 1456237764 WIYSLNNAXGSLGP-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c[nH]c(C(N)=O)c1 1467839636 CCINFSNOGMWHQN-UHFFFAOYSA-N 308.334 1.235 10 10 DDCE CNCc1ccc(N2CC3(CNC(=O)C3)C2)cc1Br 2119568138 VLXHUKZTVZCIEK-UHFFFAOYSA-N 324.222 1.495 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCc1ccc2c(c1)OCO2 1540430184 BGIRIFYYNVSDBJ-UHFFFAOYSA-N 315.325 1.728 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc2nnc(S)n2c1 1557085528 OOAUDIBZIJWGQT-UHFFFAOYSA-N 316.342 1.359 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCC[C@]2(O)CCOC2)cc1 1557351221 BIQPOFXFYHRFCD-AWEZNQCLSA-N 306.322 1.120 10 10 DDCE O=C(NC[C@H]1CS(=O)(=O)c2ccccc21)c1cc(O)cs1 1636258373 JSVIPTXMJRPMCD-VIFPVBQESA-N 323.395 1.755 10 10 DDCE COCCN1CCN(C(=O)Cc2ccc(O)c(O)c2)C(C)(C)C1 1639697822 PZEOGKHNTUTXGU-UHFFFAOYSA-N 322.405 1.210 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cnc(OCC2CC2)cn1 1570462132 FGYQAUPVLGXKSE-UHFFFAOYSA-N 315.329 1.607 10 10 DDCE CN(Cc1ccccc1)C1CN(c2ccc3c(c2)NC(=O)[C@H]3O)C1 1914215668 MSSQGMUFDDWOLW-SFHVURJKSA-N 323.396 1.993 10 10 DDCE CC/C(C)=C/C(=O)NC[C@@H](O)CNCc1ccc(OC)c(C)c1 1667814230 LFOHCJGPSYQASB-OIQJVACTSA-N 320.433 1.927 10 10 DDCE C[C@H](NC(=O)N[C@H]1CS(=O)(=O)C[C@H]1C)c1ccccc1O 1676187025 WUVVYALZDFJXON-SCVCMEIPSA-N 312.391 1.186 10 10 DDCE O=C(NCCc1nc2ccccc2[nH]1)c1cc(O)c(O)c(O)c1 1865875906 LAJJZMMJECIWRV-UHFFFAOYSA-N 313.313 1.652 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1cc(O)c(O)c(O)c1)C(=O)O 1951401463 FXQKECZUOWRRGD-QMMMGPOBSA-N 313.306 1.324 10 10 DDCE CN(C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C)c1ccc(N)cc1 1993319605 HMCSKBSUUAGOCW-ZDUSSCGKSA-N 323.393 1.507 10 10 DDCE CNC(=O)OC1CN(c2ccc(CO)cc2Br)C1 2030281531 OLHHAOWIJPANBU-UHFFFAOYSA-N 315.167 1.486 10 10 DDCE CNC(=O)CC1CN(c2ccc(CN)cc2Br)C1 382408220 YDNNNBXBXQCZNK-UHFFFAOYSA-N 312.211 1.480 10 10 DDCE Cc1nnc(CCNS(=O)(=O)Cc2ccc(N)cc2)s1 391780640 YFKBHUFQQJCLAU-UHFFFAOYSA-N 312.420 1.091 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCOC4(CCC4)C3)c2n1 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COc1cc(Cl)c(N2CCOC[C@@H]2CCO)c(OC)c1 2368117797 NSJJIPOPNTZQBA-JTQLQIEISA-N 301.770 1.945 10 10 DDCE C[C@@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1cc(F)ccc1O 368211078 BTBULRYRJPHUNS-ABAIWWIYSA-N 322.380 1.962 10 10 DDCE CCCCN(CCCS(=O)(=O)NC)Cc1ccccc1O 801597505 ISOAJDYFGVCWLU-UHFFFAOYSA-N 314.451 1.934 10 10 DDCE C[C@H](F)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 818290847 IESKYZXZSWIEDH-QMMMGPOBSA-N 304.343 1.242 10 10 DDCE CO[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCOC1 824676413 JXWDOCYNIXZCLZ-WBVHZDCISA-N 318.417 1.737 10 10 DDCE Nc1ccc(CCNC(=O)N2CCc3ccnc(O)c3C2)cc1 841959050 JQRUVQQCTLORPA-UHFFFAOYSA-N 312.373 1.680 10 10 DDCE CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)NCCc1ccc(N)cc1 841957874 FECMPCZYGPUNCF-HUUCEWRRSA-N 323.437 1.269 10 10 DDCE CC[C@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H](C)O 857302631 XDRGTIAPDAVMTH-IOASZLSFSA-N 306.406 1.797 10 10 DDCE CN(C)c1cc(F)c(CNCCCc2ncn(C)n2)cc1F 858182343 PZIJYWYKGMWXIK-UHFFFAOYSA-N 309.364 1.882 10 10 DDCE C[C@@]1([C@@H]2CCCN(C(=O)c3cccc(O)c3O)C2)COC(=O)N1 928023814 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O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cccc(O)c1O 1303193369 LORQVMNXHCYVHO-UHFFFAOYSA-N 318.285 1.701 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)[C@H]2COCCO2)cc1C 1317227980 UXNFSQLKTSCILI-XJKSGUPXSA-N 322.405 1.013 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC1C[C@H]2C[C@@H]2C1 1328082510 XCNGNAIIDGFFIA-ZIAGYGMSSA-N 315.417 1.592 10 10 DDCE CCOc1ccc(N2CCN([C@H]3CCN(OC)C3=O)CC2)cc1 1334625426 IXVYWKOEVGLNTH-INIZCTEOSA-N 319.405 1.370 10 10 DDCE O=C(C(=O)N1CCC12CCCC2)N1Cc2cccc(O)c2C1 1332054250 OPMLMHIFKWVOCB-UHFFFAOYSA-N 300.358 1.780 10 10 DDCE CNS(=O)(=O)c1ccc(NC(=O)c2cc(O)cs2)cc1 1289996586 DQWZUQWLNJENOZ-UHFFFAOYSA-N 312.372 1.614 10 10 DDCE C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccccc1O 1643738972 ZLWHZWLKQJWSBI-MRVPVSSYSA-N 302.290 1.769 10 10 DDCE Cc1cccc(CNc2cccc(NS(N)(=O)=O)c2)c1O 165008838 MJSBBTMEFIKDDB-UHFFFAOYSA-N 307.375 1.928 10 10 DDCE C[C@H](CCNC(=O)NCc1ccc(N(C)C)cc1)[S@](C)=O 166841861 YQHGMVAHDRJJDO-XUSGNXJCSA-N 311.451 1.709 10 10 DDCE Cc1c(O[C@@H](C)C(=O)O)c(=O)ccn1Cc1ccc(N)cc1 1857919988 IKJFEZSCLIGHSR-NSHDSACASA-N 302.330 1.639 10 10 DDCE Oc1cc(F)ccc1CNCCn1ncc(Br)n1 1875997784 IAGAVNXTVKEUEO-UHFFFAOYSA-N 315.146 1.675 10 10 DDCE Cn1cnc(=NCc2cc(Br)cc(F)c2O)[nH]1 1943120373 KPJDMKWCBHDPCA-UHFFFAOYSA-N 301.119 1.456 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)OC(C)(C)C)cc1C 1963438484 KJIAMRDDMVWHSC-CQSZACIVSA-N 324.421 1.979 10 10 DDCE CS(=O)(=O)C[C@@H]1CCN(c2ccc(CN)c(F)c2F)C1 2143671106 HNWPHXMPFVNAED-SECBINFHSA-N 304.362 1.294 10 10 DDCE COc1cc(Cl)cc(CN[C@@H](C)C2CS(=O)(=O)C2)c1O 1967840309 MGCNOQRXRAQPCP-QMMMGPOBSA-N 319.810 1.577 10 10 DDCE O=S1(=O)C[C@@H]2CC(NCc3cccc(Cl)c3O)C[C@H]2C1 1974483015 GSVZJCOMXBQCLD-QWRGUYRKSA-N 315.822 1.958 10 10 DDCE CC(C)(C)OC(=O)N(CC(=O)C(=O)C[C@H]1C[C@H](N)C1)CC1CC1 1980371788 XFFZWBCOAQOURW-JOCQHMNTSA-N 324.421 1.899 10 10 DDCE CNCc1ccc(N(C)[C@H]2CCS(=O)(=O)C2)c(Cl)c1 163979025 NTFKFXQAAONWEX-NSHDSACASA-N 302.827 1.683 10 10 DDCE N[C@@H]1CN(Cc2ccc(Br)cc2O)[C@H]2COC[C@@H]12 2040554398 MIRUFBRCPYDBDC-TUAOUCFPSA-N 313.195 1.313 10 10 DDCE CCN(c1ccc([C@H](C)N)c(O)c1)[C@H](C)CS(C)(=O)=O 2170403176 MTZSHKVLPHTTCO-MNOVXSKESA-N 300.424 1.671 10 10 DDCE CCN[C@@H](c1ccccc1O)[C@](C)(O)CS(=O)(=O)CC 2170492895 GYSHSQZMOKSJDR-UONOGXRCSA-N 301.408 1.229 10 10 DDCE CCCS(=O)(=O)C[C@H](C)NC(=O)c1cccc(O)c1O 2170591591 ZRUKXUBBMKXSKU-VIFPVBQESA-N 301.364 1.041 10 10 DDCE CCOC(=O)CCCS(=O)(=O)Nc1ccc(O)cc1N 2178725439 DXAOPDMWGZBACA-UHFFFAOYSA-N 302.352 1.059 10 10 DDCE CCN(c1ccc(CNC)cc1F)[C@H]1CCS(=O)(=O)C1 387170055 AYJTYZZIFYJLPS-LBPRGKRZSA-N 300.399 1.559 10 10 DDCE O=C(NCC1CCC2(CC1)OCCO2)c1cccc(O)c1O 2090779826 PKTQOBWQQQZAGL-UHFFFAOYSA-N 307.346 1.761 10 10 DDCE CCCOCCS(=O)(=O)CC(=O)c1ccc(O)c(O)c1 2238126602 VTLNYBDLULBJDP-UHFFFAOYSA-N 302.348 1.122 10 10 DDCE CNCc1ccc(N2CC[C@@H]2[C@H](O)CO)cc1Br 2258327053 AEONWYRGYLNSIE-CHWSQXEVSA-N 315.211 1.100 10 10 DDCE COC[C@]1(C(=O)NCc2cnc(SC)s2)CCCN1 2269089408 BVQRSBIYGUMCQA-LBPRGKRZSA-N 301.437 1.250 10 10 DDCE COCCOc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1 10121508 NOUMNAIYIDVFDO-UHFFFAOYSA-N 321.329 1.844 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1=COCCC1 107455996 GEDIFFDXGFRKSP-UHFFFAOYSA-N 320.364 1.973 10 10 DDCE C[C@H](O)CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 179059477 CNTVFURXSSAEOF-NSHDSACASA-N 323.348 1.963 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnccc1N(C)C 186425897 OEZJIPAHSFMRPG-NSHDSACASA-N 315.373 1.920 10 10 DDCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OC[C@H]1CCC(=O)N1 126697942 SDPBHVZBMPBCOA-LLVKDONJSA-N 313.313 1.686 10 10 DDCE C[C@@H]1CCC[C@H](CS(=O)(=O)N2CC[C@H](CN=[N+]=[N-])C2)O1 2364101227 PMNFQDMVUYAMTI-IJLUTSLNSA-N 302.400 1.906 10 10 DDCE CC[C@H](O)CCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255547938 XRDIKSYMNYJJEO-AFCDSYGPSA-N 318.417 1.814 10 10 DDCE CCN1C(=O)[C@H]2CN(Cc3cc(C)ccc3O)CCN2C1=O 362007652 BEJOXBMOWWBCAR-CYBMUJFWSA-N 303.362 1.169 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@@H]1CCOC1(C)C 295229535 ODCYFDLSGFDQKX-MRXNPFEDSA-N 319.449 1.868 10 10 DDCE CC1(O)CC(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 822721708 YPVVSMPHOJROSV-UHFFFAOYSA-N 304.390 1.300 10 10 DDCE c1cnn(Cc2cn(Cc3ccc(N4CCOCC4)cc3)nn2)c1 900600745 JKGBYYXCVRPYIL-UHFFFAOYSA-N 324.388 1.408 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCC[C@@H](S(N)(=O)=O)C2)cc1 835048765 XZKPUKSWFZUNQB-LLCTXKFZSA-N 323.462 1.519 10 10 DDCE COc1cc(O)c(CN2CC[C@@]3(CCCNC3)C2)cc1OC 843118156 AADBHYZTCKWDBY-QGZVFWFLSA-N 306.406 1.985 10 10 DDCE COC[C@H]1C(=O)N[C@H](c2cc(Cl)cc(Cl)c2O)N1C 840829425 QUSDGCKSJSAWKP-ONGXEEELSA-N 305.161 1.774 10 10 DDCE COc1ccc(N2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1 929153223 TYBFYYDEBYPMFQ-MRXNPFEDSA-N 324.446 1.394 10 10 DDCE CCn1cc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 855232593 VPCDGWYHNJXEEC-CQSZACIVSA-N 314.389 1.920 10 10 DDCE CCCCN(C)S(=O)(=O)NNc1nc2cccnc2s1 857225170 HGLLAGMSIHYHGI-UHFFFAOYSA-N 315.424 1.585 10 10 DDCE COc1cccc(CNC(=O)NC[C@@H](OC)[C@@H]2CCOC2)c1O 854276351 NBFSXKJGBRIORX-TZMCWYRMSA-N 324.377 1.252 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@@H](CO)C1CCC1 852320590 MNVVMPSHJMBAQP-KRWDZBQOSA-N 319.449 1.462 10 10 DDCE C[C@@H](NCCCN1CCCS1(=O)=O)c1ccc(F)cc1O 756690157 ZQKLPSLZAVQURL-LLVKDONJSA-N 316.398 1.608 10 10 DDCE Nc1ccc(CCNC(=O)N2CC[C@@H](Cn3ccnn3)C2)cc1 851662639 GHINHPDFEIUHAT-CQSZACIVSA-N 314.393 1.135 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)NCC[C@@H]2CC=CCC2)cc1 861776061 FXHLLIRUQFXKSN-CQSZACIVSA-N 315.417 1.790 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C(=O)NC)CCC1 935946244 CPCJKJJNBDQYTH-UHFFFAOYSA-N 311.378 1.410 10 10 DDCE O=C1N[C@H](C(=O)NCc2ccc3cccnc3c2O)CCO1 862024555 ASJCLMNBZWBPAL-NSHDSACASA-N 301.302 1.055 10 10 DDCE CC(C)C(=O)N1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 871201379 USKNFLSTIRLALP-AWEZNQCLSA-N 302.374 1.881 10 10 DDCE Cc1nc(F)ccc1/C=C1\SC(N2CCOCC2)=NC1=O 782311104 ACSSDPWJYFLKHG-FLIBITNWSA-N 307.350 1.832 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cccnc2OCCO)cc1 1135643084 PGTLZPAAXBMAIX-UHFFFAOYSA-N 315.373 1.449 10 10 DDCE CCO[C@]12CCC[C@@]1(NC(=O)Cc1ccc(O)c(O)c1)CCO2 1304695271 SJJDMXJCWQOTNM-SJORKVTESA-N 321.373 1.832 10 10 DDCE COc1c[nH]c(C(=O)NCc2cc(Cl)ccc2O)cc1=O 1300396303 NLUYLFQFEAHRPW-UHFFFAOYSA-N 308.721 1.673 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H](O)C23CCC3)cc1F 1333721276 GZRRIYJPLCXQJQ-HUUCEWRRSA-N 321.396 1.994 10 10 DDCE CS(=O)(=O)c1sccc1C(=O)NCCCCN=[N+]=[N-] 1912196912 NNXJOYFSNKIOQW-UHFFFAOYSA-N 302.381 1.972 10 10 DDCE Cc1ccc([C@H](C)NCC(C)(C)NS(C)(=O)=O)c(O)c1 109040928 YMSIZBQTURWKTQ-NSHDSACASA-N 300.424 1.679 10 10 DDCE C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[S@](C)=O 1465783917 VWIPITXVGZUZJC-BTKVJGODSA-N 310.379 1.736 10 10 DDCE CCOC(=O)c1cc(C(=O)NCc2cc(O)ccc2O)[nH]c1C 1637126453 ZFVNWXNOEOBPJL-UHFFFAOYSA-N 318.329 1.841 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)Cc2cc[nH]n2)cc1C 1732991710 XITBPVAGUUJIAO-ZDUSSCGKSA-N 316.405 1.564 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@H]1Cc2cc(F)ccc2O1 1651222993 VUCYATOALNQDIC-OAHLLOKOSA-N 303.289 1.857 10 10 DDCE CC(C)OC(=O)c1cc(NC(=O)Cc2ccc(O)c(O)c2)n[nH]1 1652737497 ZFJOAACRCDDAJO-UHFFFAOYSA-N 319.317 1.567 10 10 DDCE CC[C@@H]1SC(=S)N(CCCC(=O)N2CCOCC2)C1=O 11636378 IRHKJUJBWUTVLC-JTQLQIEISA-N 316.448 1.264 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CSC(=O)N1 155403795 SPYKHWGKQPNZLP-CYBMUJFWSA-N 307.419 1.926 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)C1 1977681024 WCZYRYLCFSXTMP-HDJSIYSDSA-N 319.405 1.983 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)CCCCCN 2145996965 GJIQKUJLVQZDGA-LBPRGKRZSA-N 300.424 1.844 10 10 DDCE CC(C)(C)OC(=O)N=c1cc(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)[nH][nH]1 1985096963 YXXBPHHLRZJCSY-MRVPVSSYSA-N 321.341 1.703 10 10 DDCE CN(C)[C@H]1CN(c2ccc(CN)cc2Br)C[C@H]1O 2029432331 FCCCDWMEPPWYMB-QWHCGFSZSA-N 314.227 1.019 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)c1c(F)cc(CN)cc1F 2170567145 OEKQFPHUICNUGI-SECBINFHSA-N 306.378 1.683 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCOC4(CCC4)C3)c2n1 2061982988 UHTHGLSHTJPZBK-NSHDSACASA-N 316.361 1.575 10 10 DDCE NCc1cc(F)c(N2C[C@@H](CO)OCC23CC3)cc1Cl 2183972175 PUCATSMAVQJHNI-JTQLQIEISA-N 300.761 1.668 10 10 DDCE CNCc1cc(F)c(N2CC(C)(C[S@@](C)=O)C2)c(F)c1 2186341491 UTWPHNSDRHHFJK-HXUWFJFHSA-N 302.390 1.889 10 10 DDCE NCc1ccc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)c(Cl)c1 2087857821 DFGZQMRWGYXMPX-QWRGUYRKSA-N 300.811 1.280 10 10 DDCE O=C(O)[C@@]1(CO)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 2201094545 SBHBPQGTLBPNOJ-ZDUSSCGKSA-N 320.172 1.968 10 10 DDCE COCC[C@]1(C(=O)NCc2cnc(SC)s2)CCNC1 2284493709 DUGHAOJDJNVUHX-CYBMUJFWSA-N 315.464 1.497 10 10 DDCE CSc1ncc(CNCC23CC(C(=N)NO)(CO2)C3)s1 2284684529 PDYGPUMQARRYQA-UHFFFAOYSA-N 314.436 1.460 10 10 DDCE C[C@H](Oc1ccc(C=C2SC(=S)N(N)C2=O)cc1)C(=O)O 2294874442 CPFMQZCJTNACOD-ZETCQYMHSA-N 324.383 1.613 10 10 DDCE CN(Cc1cc(Br)ccc1O)[C@H]1CNC[C@H]1F 2303704272 VGLGPNVXGOTFDR-MNOVXSKESA-N 303.175 1.896 10 10 DDCE COC(=O)[C@]12C[C@H]1CN[C@H]2c1ccc(Br)cc1O 2308895617 WODIONGXTLWUNF-LCHGKGQCSA-N 312.163 1.978 10 10 DDCE CCCC(=O)NCC(=O)N1CCOc2cc(N(C)C)ccc21 173202166 DWOONVARWZFOTB-UHFFFAOYSA-N 305.378 1.394 10 10 DDCE COC(=O)COc1ccc(N(C)CC(=O)N(C)CC2CC2)cc1 183793234 FOCLXVDLQNDITB-UHFFFAOYSA-N 320.389 1.543 10 10 DDCE COc1cc(N(C)CC(=O)NCC(C)C)cc(OC)c1OC 125769442 DFRGDLZJJFRYFT-UHFFFAOYSA-N 310.394 1.921 10 10 DDCE CCOCCOCC[S@](=O)CCOc1ccc(N)cc1 2365624711 VABDNNATIFEYAM-FQEVSTJZSA-N 301.408 1.449 10 10 DDCE CN(C)[C@H]1CCCN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 221205344 DXAITMMFPNQFOO-LKFCYVNXSA-N 308.813 1.822 10 10 DDCE CNC(=O)CCN(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 254941728 BYTKNFUCSJYHSF-ALCCZGGFSA-N 321.333 1.353 10 10 DDCE CCOc1cccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1O 363263804 BTXBIJJITZNADP-MRVWCRGKSA-N 304.390 1.890 10 10 DDCE CC(=O)C(=O)COC(=O)c1nccnc1Sc1ccccc1 808536162 LZRJURYBQQHXHE-UHFFFAOYSA-N 316.338 1.943 10 10 DDCE COC[C@@H](O)[C@H](N)c1cc(Br)cc(Cl)c1O 713884298 YUYVZSDOCJAYQU-RKDXNWHRSA-N 310.575 1.815 10 10 DDCE CN(C)C1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCOCC1 588404768 RWFZCWIIZAZNSB-XQRVVYSFSA-N 320.389 1.338 10 10 DDCE C[C@@H]1CN(CCNC(=O)NCc2c(O)cccc2F)CCO1 915827502 IOJAZOPBKAWHKB-LLVKDONJSA-N 311.357 1.051 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@]1(c2ccccc2)C[C@H](O)C1 910956650 MTDHCBQGZCLBTI-RHNCMZPLSA-N 313.353 1.807 10 10 DDCE CN(CC(=O)NC(C)(C)C)C(=O)NCCc1ccc(N)cc1 841961223 CLFBMQCQUXGZHJ-UHFFFAOYSA-N 306.410 1.367 10 10 DDCE C[C@@H](O)[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCO1 840978776 PLXGGERLWRARGB-DYVFJYSZSA-N 324.396 1.244 10 10 DDCE NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 841960654 UTUOJQPHPNONDS-GJZGRUSLSA-N 318.421 1.545 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Nc3cnn(C)c3)C2)cc1 853952534 AADDERLPPAICPP-LBPRGKRZSA-N 315.377 1.829 10 10 DDCE C[C@@H](NC[C@@]1(OCCO)CCOC1)c1cc(Cl)ccc1O 850508791 OHTOJJGOQGGTAP-ABAIWWIYSA-N 315.797 1.864 10 10 DDCE O=C1CCCN[C@@H]1c1cc(I)ccc1O 1952449527 RRDQGVJCNFWGRR-LLVKDONJSA-N 317.126 1.990 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CCCC(N)=O)C2)cc1 855231315 VJYWXWHKVUFSCP-GFCCVEGCSA-N 305.378 1.046 10 10 DDCE CN1C(=O)C(=Cc2cc(F)c(N(C)C)cc2F)C(=O)N(C)C1=O 863176879 FRMAWHBSSGZVFW-UHFFFAOYSA-N 323.299 1.465 10 10 DDCE OC[C@@H]1[C@@H](O)[C@@H](O)CN1c1ccc(OCc2ccccc2)cc1 1899867509 UQHSTHCVXUJHCM-FGTMMUONSA-N 315.369 1.168 10 10 DDCE CCn1nnc(C)c1CNC(=O)/C=C\c1ccc(O)c(O)c1 862082568 KKXJUXKPSSMCHU-ALCCZGGFSA-N 302.334 1.347 10 10 DDCE CN1C(=O)CC[C@H]1CC(=O)NCc1ccc2cccnc2c1O 862026327 KHZKOUMYOCSAKY-ZDUSSCGKSA-N 313.357 1.568 10 10 DDCE CN(C)c1nc2c(s1)CN(C(=O)c1cccc(O)c1O)CC2 1123892351 DGPXJGZZVLABFL-UHFFFAOYSA-N 319.386 1.819 10 10 DDCE CN1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1=O 896837686 HNZWICWZYMKNOK-VIFPVBQESA-N 320.370 1.663 10 10 DDCE C[C@H](c1ccc(F)cc1O)N1CC[C@H](NS(C)(=O)=O)C1 703136825 FKGOOTYRQOVPHF-KOLCDFICSA-N 302.371 1.216 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@]23CCOC3=O)cc1 1154854887 BZGXXDHNVRFTCI-HNNXBMFYSA-N 316.317 1.771 10 10 DDCE C[C@H](NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1)c1ccccc1O 1171730608 QLQQZRDZDHPRHL-MRCXROJRSA-N 302.334 1.171 10 10 DDCE CC(C)[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)C1CC1 1327856943 ZVNDPXNKQUIQSH-MRXNPFEDSA-N 317.433 1.920 10 10 DDCE CO[C@@H]1CCn2cc(C(=O)NCc3c(O)cccc3O)nc2C1 1645363080 LZSQDLYKFJSGBX-SNVBAGLBSA-N 317.345 1.186 10 10 DDCE CN(Cc1cccc(O)n1)C(=O)/C=C\c1ccc(O)c(O)c1 1456185493 GLALQNLSPBHHOB-VURMDHGXSA-N 300.314 1.870 10 10 DDCE NC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 1296113467 MXPAIBSWSJQRFE-HNNXBMFYSA-N 318.304 1.122 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc2[nH]ncc2c1 1296246753 OYFAZOPMQQBAPP-VIFPVBQESA-N 312.329 1.730 10 10 DDCE CC(C)C[C@@H]1C(=O)NCCN1C(=O)Cc1ccc(O)c(O)c1 1616827441 CIIDPUZGBDPLCL-GFCCVEGCSA-N 306.362 1.013 10 10 DDCE COC(=O)C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1616757798 XOAJNIBWNGLNJD-UHFFFAOYSA-N 304.306 1.532 10 10 DDCE Cn1cc([C@@H]2N(C(=O)Cc3ccc(O)c(O)c3)CC2(C)C)cn1 1557720830 GBEQQKJVNFOHIQ-INIZCTEOSA-N 315.373 1.984 10 10 DDCE C[C@H]1CNc2c(C(=O)NCc3ccc(O)c(O)c3)cnn2C1 1622664331 PVHRWULELVACII-VIFPVBQESA-N 302.334 1.286 10 10 DDCE COc1cc(OC)nc(C(=O)NCc2c(O)cccc2F)n1 1635366538 ACZAPPGTZLVUAG-UHFFFAOYSA-N 307.281 1.269 10 10 DDCE CN(C(=O)c1cc2cc(O)c(O)cc2s1)C(C)(C)C(N)=O 1636416807 KKRVVMJQFPZWGX-UHFFFAOYSA-N 308.359 1.648 10 10 DDCE COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)C1CCCCC1 1631004547 VIVAZQUQWWDHIT-ZDUSSCGKSA-N 307.346 1.950 10 10 DDCE Cc1cc(C(=O)NCc2cc(Cl)ccc2O)ncc1C(N)=O 1640924466 MUYBYVFSYJRFOR-UHFFFAOYSA-N 319.748 1.778 10 10 DDCE CC[C@@H](NCC[C@@H](O)CO)c1cc(Br)ccc1O 1967553675 MKZMLAIEGAIIJA-ZYHUDNBSSA-N 318.211 1.939 10 10 DDCE CC(C)(C)OC(=O)NCC1(O)CN(Cc2cc(N)ccc2O)C1 1977926678 OEESLXOVMMLVIJ-UHFFFAOYSA-N 323.393 1.046 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCN(Cc2cccc(F)c2O)C1 294028439 VLXCBUDAAWXGTE-LLVKDONJSA-N 301.383 1.788 10 10 DDCE CC(C)(CO)CCCNS(=O)(=O)Cc1ccc(N)cc1 393412285 FUSRYZAQNONDBH-UHFFFAOYSA-N 300.424 1.487 10 10 DDCE CC1(C)C[C@@H](S(C)(=O)=O)CN1Cc1cccc(F)c1O 2179902789 RXPFWNGHVOEUEY-LLVKDONJSA-N 301.383 1.929 10 10 DDCE N[C@H]1CCN(Cc2ccc(Br)cc2O)C[C@@H]1CO 2058542312 PJQDMEZLMGKXNN-PWSUYJOCSA-N 315.211 1.296 10 10 DDCE CS(=O)(=O)CCC1CC(NCc2ccc(F)cc2O)C1 2233936169 RSLMYMIMFNGBMU-UHFFFAOYSA-N 301.383 1.834 10 10 DDCE CSc1ncc(CNCC(=O)NC2CCOCC2)s1 2269206302 YMLUSHBJXUKUMN-UHFFFAOYSA-N 301.437 1.250 10 10 DDCE CCN=c1ccc(C(=O)NCc2cnc(SC)s2)n[nH]1 2284731833 WGQVDTXMUKRMAH-UHFFFAOYSA-N 309.420 1.439 10 10 DDCE C[C@@H](CNC(=O)C=Cc1ccc(O)c(O)c1)CN1CCCC1 2307986491 BPVNBRHWHXOPID-ZDUSSCGKSA-N 304.390 1.959 10 10 DDCE COC[C@@H](NCc1ccc(C)c(Br)c1O)C(=O)O 2327583213 KVUSBYBGYCRQNT-SECBINFHSA-N 318.167 1.652 10 10 DDCE CO[C@H](CCO)CNCc1ccc(C)c(Br)c1O 2327792542 LFGSEVRQIJRYMD-LLVKDONJSA-N 318.211 1.950 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CC[C@@H](C)OC2)s1 2346028802 RECADFGSOIKECU-PELKAZGASA-N 302.421 1.977 10 10 DDCE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCN1CCCCC1)C(=O)C2=O 8236596 AWTAJXNYWDWYOT-MSOLQXFVSA-N 320.433 1.553 10 10 DDCE CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccccc1O 264507807 YYTJNYJAQPFVAI-DGCLKSJQSA-N 322.430 1.956 10 10 DDCE Cn1nncc1C(=O)NCc1cc(Br)ccc1O 804734793 ZNKVKBXIRGYPRY-UHFFFAOYSA-N 311.139 1.213 10 10 DDCE O=C(NCc1cc(Br)ccc1O)c1cnccn1 804735837 JTZTXFJSNQUGBK-UHFFFAOYSA-N 308.135 1.875 10 10 DDCE Oc1cc(F)c(Cl)cc1CNC[C@H](O)CN1CCCC1 294325991 RHVYFEIMVJGUOM-NSHDSACASA-N 302.777 1.731 10 10 DDCE COc1ccc(CCC(=O)OCC(=O)C(C)=O)c(OC)c1OC 808507463 NDPUERAKYCGOMO-UHFFFAOYSA-N 324.329 1.346 10 10 DDCE O=C([C@@H]1[C@H]2COC[C@H]21)N(Cc1ccccc1O)C[C@H]1CCCO1 830900109 QDPRNEHKUDWHBS-AIANPOQGSA-N 317.385 1.792 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)[C@@H]2CCO[C@@H](C)C2)c1 849376078 KNPSCIUHGDTVQV-GXFFZTMASA-N 315.391 1.388 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@H]2CNCCC2(F)F)c1O 841080843 QSXVIKANUIDNEM-JTQLQIEISA-N 317.292 1.396 10 10 DDCE CCO[C@H]1COCC[C@H]1CC(=O)NCc1c(O)cccc1F 928710743 WOOURQRTTUUPFJ-NHYWBVRUSA-N 311.353 1.979 10 10 DDCE CCn1ncc(CN(CCOC)c2ccc(OC)c(OC)c2)n1 851846982 MMPNNIUSBCGYIO-UHFFFAOYSA-N 320.393 1.968 10 10 DDCE CCc1noc(C)c1NC(=O)C(=O)NCc1ccccc1O 755058111 BWKLLFVAFRDMJZ-UHFFFAOYSA-N 303.318 1.506 10 10 DDCE CCO[C@H]1COCC[C@@H]1CC(=O)NCc1cc(OC)ccc1O 866767552 UCRSSZRVHVFCDJ-WBMJQRKESA-N 323.389 1.849 10 10 DDCE COCCn1cc(NC(=O)N2Cc3cccc(O)c3C2)cn1 864415222 DOPKAGYOJZCCOF-UHFFFAOYSA-N 302.334 1.783 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCO[C@H](CC(N)=O)C2)cc1 862535297 IEYJBXZCMAEXIV-MJSXRHKHSA-N 303.406 1.342 10 10 DDCE C[C@@H](NC[C@H](O)CN1CCCC1=O)c1ccc(N(C)C)cc1 772949524 BIBZKZGUDCEVKL-CJNGLKHVSA-N 305.422 1.387 10 10 DDCE CCOc1ccc(CN2CCN3C(=O)OCC[C@H]3C2)c(O)c1 770392278 OONFFNGDVUOZMB-ZDUSSCGKSA-N 306.362 1.817 10 10 DDCE c1cc(N2CCOCC2)ccc1CN[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 897824409 BWBAUEXYIHIKSC-WKULXVSPSA-N 300.402 1.789 10 10 DDCE Cc1ccc(-c2nn(Cc3ccc(N)cc3)c(=O)[nH]c2=O)cc1C 82720962 IUZQHCHBVSHMEB-UHFFFAOYSA-N 322.368 1.846 10 10 DDCE CCOc1ccc(CN[C@H](C[C@@H]2CCCO2)C(=O)OC)c(O)c1 895864602 QGGRDVXKFKLRAC-DZGCQCFKSA-N 323.389 1.991 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCn2ncnc21 1135914975 VVJNDNHOUAXPOA-OAHLLOKOSA-N 313.405 1.880 10 10 DDCE NC(=O)C1CC(NCc2cc(Br)cc(F)c2O)C1 715747393 UMXDGHACTZEAGG-UHFFFAOYSA-N 317.158 1.647 10 10 DDCE CC(C)(NCc1cc(Br)cc(F)c1O)C(N)=O 715766497 SNJNUIANKOELGQ-UHFFFAOYSA-N 305.147 1.647 10 10 DDCE COc1cc(CCNC(=O)NCc2ccccc2O)ccn1 1313117349 QOISBTMCAAXZNY-UHFFFAOYSA-N 301.346 1.838 10 10 DDCE Nc1ccc(OCCN=c2[nH]cnc(N)c2Br)cc1 2117263089 HDYWRPCZVCPHBD-UHFFFAOYSA-N 324.182 1.316 10 10 DDCE O=C1NC[C@@H](C(=O)NCc2cccc(O)c2O)c2ccccc21 1471642001 FNFQMMNLGINVBW-CYBMUJFWSA-N 312.325 1.241 10 10 DDCE CS(=O)(=O)c1cc(C(=O)NCc2ccc(O)c(O)c2)co1 1545639548 SXDCJHOGIXJFRE-UHFFFAOYSA-N 311.315 1.024 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1ccc2nc(O)[nH]c2c1 1632559962 YOWPKGPEBNGYST-UHFFFAOYSA-N 313.313 1.539 10 10 DDCE COCCNCc1ccc(N(C)CC(=O)N(C)C)c(Cl)c1 163943990 KAXHLRRMVXFBAJ-UHFFFAOYSA-N 313.829 1.600 10 10 DDCE CN(C)c1ccc(/C=C2\SC(NCCC(=O)O)=NC2=O)cc1 6319864 XJNZJIJZIRMDGN-XFXZXTDPSA-N 319.386 1.787 10 10 DDCE Nc1ccc(Oc2ccc(NC(=O)CNCC(=O)O)cc2)cc1 1866110037 KYUQIONYSAYDNZ-UHFFFAOYSA-N 315.329 1.674 10 10 DDCE C[C@@H]1C[C@@H](NCc2cc(F)cc(F)c2O)CCS1(=O)=O 2143955723 KAAIYKXIBAKDIG-KCJUWKMLSA-N 305.346 1.726 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)cc2)[C@H]2COC[C@@H]12 1977952769 TYBLDHXPKKLIAF-ZNMIVQPWSA-N 319.405 1.997 10 10 DDCE O=S(=O)(NCCNCc1cccc(F)c1O)C(F)(F)F 2159524476 JKXBBULEURVCJZ-UHFFFAOYSA-N 316.276 1.060 10 10 DDCE C[C@H](O)c1ccc(N2CC(OCCO)C2)c(Br)c1 2034842983 YNUWIHJWCLSZOD-VIFPVBQESA-N 316.195 1.700 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](NCc2cc(F)ccc2O)C1 400154816 FIJGAIVBSAPEDV-GFCCVEGCSA-N 302.371 1.045 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CCC[C@H]2CF)cc1 2171880117 GMTJGANYOPSZGW-LBPRGKRZSA-N 302.371 1.411 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccnn1[C@@H]1CC1(F)F 2064444590 DKECGSAAVXPRNC-LLVKDONJSA-N 309.272 1.804 10 10 DDCE NCCN(CCN)Cc1cc(Br)cc(F)c1O 1235879816 GMEPTZBGTNMUCN-UHFFFAOYSA-N 306.179 1.013 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1Br 2043183039 XBNRLGMKWDCSGI-IEBDPFPHSA-N 316.195 1.434 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](COc2nnc(=N)[nH]n2)CC1(C)C 2210649077 FWGPCIOZUWVRSP-SECBINFHSA-N 324.385 1.094 10 10 DDCE CC[C@]1(NCc2c(O)cccc2Br)CCNC1=O 2260432239 ZCGJCFZVZXXOAD-ZDUSSCGKSA-N 313.195 1.913 10 10 DDCE CSc1ncc(CNC(=O)NOCCCC(=O)O)s1 2269102968 YMDOMRHHTLLBRZ-UHFFFAOYSA-N 305.381 1.461 10 10 DDCE OCC[C@H](O)CCNCc1cccc(Br)c1O 2306874509 QSGOHQYEAQPISE-SNVBAGLBSA-N 304.184 1.378 10 10 DDCE COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCC(C)C 4093702 DVTYKMJRHXLUEJ-UHFFFAOYSA-N 318.329 1.479 10 10 DDCE O=C(Cn1ccnn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 176587099 MKGAJVUPASOVGC-AWEZNQCLSA-N 316.361 1.192 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H](CO)c2ccccc2)cc1 63000110 NMLYNEPVEQDWIG-HNNXBMFYSA-N 306.387 1.422 10 10 DDCE CN(c1ccc(CN)c(F)c1)[C@@H]1CC[C@H](S(C)(=O)=O)C1 2361594033 XDFJZYVWZXWGCB-YPMHNXCESA-N 300.399 1.686 10 10 DDCE O=C(c1cccc(O)c1O)N1CC[C@H](Oc2cccnc2)C1 187191874 NTKCNONRLPEWAQ-LBPRGKRZSA-N 300.314 1.786 10 10 DDCE COc1ccc2ccc(O)c(CN3CCNC(=O)CC3)c2c1 44781353 XEUMZDNBWQWOQE-UHFFFAOYSA-N 300.358 1.876 10 10 DDCE CCOc1cccc(CN2CCN(CCOC)[C@@H](C)C2)c1O 245757295 OYHCDLTZOJTNOD-AWEZNQCLSA-N 308.422 1.943 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 808535488 NUFVEUSTXLSOAG-UHFFFAOYSA-N 317.200 1.511 10 10 DDCE CC(=O)C(=O)COC(=O)COc1ccccc1Br 808531908 AVGGRQLTXRZEBP-UHFFFAOYSA-N 315.119 1.529 10 10 DDCE CC1([C@H]2CCCN(CC(=O)c3ccc(O)c(O)c3)C2)OCCO1 2165110113 KOGLNPFSTLVWMF-ZDUSSCGKSA-N 321.373 1.756 10 10 DDCE O=C(NCc1ccc(N2CCCC2)cc1)N1C[C@H]2CC[C@H]1CN2 817876912 OTKUHZLJSZBRLR-WBVHZDCISA-N 314.433 1.933 10 10 DDCE COC(=O)c1cccc(NC=C2C(=O)OC(C)(C)OC2=O)c1 575448355 RQQJPCWHZKOICQ-UHFFFAOYSA-N 305.286 1.605 10 10 DDCE COC(=O)c1cnc(SC[C@@H](C)CS(C)(=O)=O)s1 829681092 NOULWBQSDCAUJH-SSDOTTSWSA-N 309.434 1.703 10 10 DDCE C[C@@]1(C(F)F)CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1 853634871 QVKCRJOTWBNCID-DOMZBBRYSA-N 315.316 1.674 10 10 DDCE CN(C(=O)C=C1CCNCC1)c1ccc(N2CCOCC2)nc1 852886491 NOLDMPCSFSAVHK-UHFFFAOYSA-N 316.405 1.191 10 10 DDCE Cc1ccc(O)c(CN2CCC(n3cc(C(N)=O)nn3)CC2)c1 862482724 ASGUYPRPJGDEMI-UHFFFAOYSA-N 315.377 1.228 10 10 DDCE CCOc1ccc(CN2CCN(c3cccnn3)CC2)c(O)c1 769233704 SLCFBIXABBQHOA-UHFFFAOYSA-N 314.389 1.903 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1c2ccccc2C(=O)OC12CCC2 885507387 WMCQNEJHABOMLC-AWEZNQCLSA-N 316.309 1.565 10 10 DDCE CN(C)c1ccc([C@H]2NC(=S)NC(C(=O)O)=C2Cl)cc1 76260244 OBWWCWUPVFJDEZ-SNVBAGLBSA-N 311.794 1.806 10 10 DDCE Oc1cc2c(cc1CN1CCOC[C@@H]1CC(F)F)[C@@H](O)CO2 795729541 OREIESCTHSZACH-GWCFXTLKSA-N 315.316 1.674 10 10 DDCE CN(C)C[C@@H](CO)NCc1c(O)cccc1Br 716668546 ADCKKMCPKHSSLK-VIFPVBQESA-N 303.200 1.167 10 10 DDCE CC1(NCc2c(O)cccc2Br)CS(=O)(=O)C1 1918417057 ISBVZJBCBSVNQF-UHFFFAOYSA-N 320.208 1.431 10 10 DDCE O=C(C[C@@H]1COc2ccccc2O1)NCc1cc(O)ccc1O 1303225265 DRGVQNLKTWILBL-CYBMUJFWSA-N 315.325 1.944 10 10 DDCE O=C(CS(=O)(=O)C1CC1)NCc1c(O)ccc2ccccc12 1645443889 YDBSICMHQWQHIY-UHFFFAOYSA-N 319.382 1.739 10 10 DDCE NC(=O)c1cc([N+](=O)[O-])cnc1NCc1c(O)cccc1F 1187678153 XKOALSAMCOMRJZ-UHFFFAOYSA-N 306.253 1.546 10 10 DDCE CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC[C@H](C)O 1267831578 RYOUXAGPWJEFIB-JQWIXIFHSA-N 321.381 1.328 10 10 DDCE CN(C)CCOC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1292993143 IHGHOGZRRVGSIN-UHFFFAOYSA-N 322.405 1.210 10 10 DDCE CC(C)OCCCNC(=O)CCN1C(=O)CSC1=S 1865765192 UOFRLNIDKTYLIL-UHFFFAOYSA-N 304.437 1.168 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc2c(O)ncnc2c1 1557085609 QRIINWJANHFINA-UHFFFAOYSA-N 311.297 1.677 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2cnns2)cc1C 1714211130 GOSJSLJQOYZGJU-NSHDSACASA-N 320.418 1.763 10 10 DDCE O=C1C[C@H](CNC(=O)c2cccc(O)c2O)Oc2ccccc21 1642866932 MUQRGIDAWZBPOQ-SNVBAGLBSA-N 313.309 1.862 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2nc(C)c[nH]2)cc1C 1690629507 AIYBNKVRLJSLDA-GFCCVEGCSA-N 316.405 1.943 10 10 DDCE Cc1c(S(=O)(=O)c2ccccc2)nnn1-c1ccc(N)cc1 11730425 ZSRFXBYVSZCFKR-UHFFFAOYSA-N 314.370 1.991 10 10 DDCE Oc1c(F)cc(Br)cc1CN1CCN[C@H]2C[C@H]21 1946762529 SJZXPNWYADKRJA-WDEREUQCSA-N 301.159 1.840 10 10 DDCE NCCN(Cc1ccccc1)c1cc2c(cc1N)OCC(=O)N2 1989336945 KNRXSCRPONZRQK-UHFFFAOYSA-N 312.373 1.565 10 10 DDCE COCCNCc1ccc(N2C[C@H](F)[C@H](O)C2)c(Cl)c1 2149260595 YSNWECSAXVKYBM-GXTWGEPZSA-N 302.777 1.595 10 10 DDCE C[S@@](=O)C[C@H](NCc1ccc(O)c(O)c1O)C(C)(C)C 2158657096 MJBFKSQDAULCIW-PRWKNARSSA-N 301.408 1.686 10 10 DDCE CS(=O)(=O)N[C@@H]1CCN(Cc2cccc(Cl)c2O)C1 180334132 NDEQVMUYZYEVBW-SNVBAGLBSA-N 304.799 1.169 10 10 DDCE OCc1ccc(N2C[C@H](O)[C@@H]3COC[C@@H]32)cc1Br 2040592266 GLIAYOLNLKJDKW-WXHSDQCUSA-N 314.179 1.137 10 10 DDCE CCN[C@H](c1ccccc1O)[C@](C)(O)[C@@H](C)S(C)(=O)=O 2170628798 AHYYHBRYCAASRX-LERXQTSPSA-N 301.408 1.227 10 10 DDCE COC[C@@](C)(CO)N(C)c1ccc(CN)c(Br)c1 689751119 JQXDISTYYWGLHJ-CYBMUJFWSA-N 317.227 1.741 10 10 DDCE CCNCc1ccc(N2CC(C(N)=O)C2)cc1Br 382095236 MYDQUKKJUHJALC-UHFFFAOYSA-N 312.211 1.480 10 10 DDCE OCCO[C@@H]1CCN(c2ccc(CO)cc2Br)C1 2046682178 GEEPSSSUDPTKQZ-LLVKDONJSA-N 316.195 1.529 10 10 DDCE O=S1(=O)CC[C@@H]2CN(Cc3cc(Cl)ccc3O)C[C@H]21 2088814681 KQDFHKBGENNALT-NOZJJQNGSA-N 301.795 1.665 10 10 DDCE C[C@H](N)c1ccc(N2CC(=O)N[C@@H]3CC[C@H]32)cc1Br 2112059446 YBMHDUFTIZFIBG-ZEGGKSINSA-N 324.222 1.936 10 10 DDCE C[C@H](c1ccc(Cl)cc1O)N1CC[C@@H](NS(C)(=O)=O)C1 2203360364 HOHXXGROAOSZES-MWLCHTKSSA-N 318.826 1.730 10 10 DDCE COc1ccc(Br)c(CN2C[C@@H]3C[C@H]2CN3)c1O 2220456754 NMLFJMZWUKTGNK-IUCAKERBSA-N 313.195 1.709 10 10 DDCE CSc1ncc(CN=c2[nH]c3c(N)ncnc3n2C)s1 2284691531 LPEXKWXLYRJLDY-UHFFFAOYSA-N 307.408 1.158 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ccnc(C)c2)c1 492608388 AKCGXXQEPVZOOU-SNAWJCMRSA-N 310.357 1.821 10 10 DDCE COC(=O)CC[C@@H]1C[C@H](N)CN(c2ccc3c(c2)OCO3)C1 108216616 RMIIWTHHXYDSBA-NEPJUHHUSA-N 306.362 1.522 10 10 DDCE CNC(=O)c1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1 20120133 ZFMNGYJRJZEZIF-UHFFFAOYSA-N 304.302 1.178 10 10 DDCE C[C@@H](O)c1cc(F)c(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c(F)c1 2361599364 SNVAMKSWJJNELA-FDOIEUKUSA-N 303.330 1.251 10 10 DDCE COc1cccc(CN2CCOC[C@H]2c2nc(C)no2)c1O 188480719 JJNFROCVLCDIGI-LBPRGKRZSA-N 305.334 1.666 10 10 DDCE NC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)cc2F)c1 184622093 PNGODJMDQUOQRD-UHFFFAOYSA-N 310.306 1.431 10 10 DDCE CC(=O)NN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 38183539 QGYDTGXJKIVPAP-POHAHGRESA-N 318.383 1.815 10 10 DDCE O=S(=O)(c1cncs1)N1CCc2cc(O)c(O)cc2C1 2366931879 JTOFUGNHUSYXDX-UHFFFAOYSA-N 312.372 1.301 10 10 DDCE O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/N1CCCCCC1 195751879 HRKVEMQKYBADPP-ACCUITESSA-N 317.345 1.618 10 10 DDCE Cc1ccc(O)c(CN2CCC(C(=O)NCCN(C)C)CC2)c1 92615820 DWERLCDLOBLCKJ-UHFFFAOYSA-N 319.449 1.590 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CCN3CCCC[C@H]3C2)cc1 252456953 WWPAYVBOUXWVPH-HNNXBMFYSA-N 309.435 1.269 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CC[C@]3(CNC(=O)C3)C2)c1O 278903877 PQJYSLPFNBUACH-INIZCTEOSA-N 322.792 1.960 10 10 DDCE C[C@H](O)C[C@H]1COCCN1Cc1ccc(N2CCOCC2)cc1 809768950 ZDSYOFKKJTYJNA-YJBOKZPZSA-N 320.433 1.495 10 10 DDCE C/C=C\[C@@H](O)C(=O)NCc1cc(Br)ccc1O 908170324 NLJIGLKIJYSDPM-OTDNITJGSA-N 300.152 1.708 10 10 DDCE CO[C@@H](CS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1)C1CC1 842584688 ICJKOCVHURRFIE-LBPRGKRZSA-N 315.347 1.257 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@](C)(O)C3)C2)cc1 854299167 MNWCSODPNOXATM-DYVFJYSZSA-N 319.405 1.440 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCO[C@H]3C)C2)cc1 855225463 JHHKDNDWRUDWQI-HEHGZKQESA-N 304.390 1.815 10 10 DDCE COc1ccc(CNC(=O)c2c[nH]nc2[C@@H]2CCNC2)c(O)c1 852826089 PLDKNFYHSOXPQV-LLVKDONJSA-N 316.361 1.131 10 10 DDCE CN1CCN[C@H](c2cccc(NC(=O)OC(C)(C)C)c2O)C1=O 1952565582 XOZNGXRQYXCVQP-GFCCVEGCSA-N 321.377 1.842 10 10 DDCE OCCCOC1CCN(Cc2cc3c(cc2O)OCO3)CC1 769504730 YLOASIFUMXFTSS-UHFFFAOYSA-N 309.362 1.484 10 10 DDCE CCON(CC)C(=O)CNC(=O)/C=C/c1ccc(O)c(O)c1 862623660 XOADJLPYXQUZGP-SOFGYWHQSA-N 308.334 1.027 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@]2(O)C[C@H]2C1 898782359 ARSOAIHTZAHLLU-BJOHPYRUSA-N 305.355 1.909 10 10 DDCE CN(CC1(O)CCOCC1)C(=O)c1ccc(N=NC(N)=O)cc1 1138241910 WHHIKNBFASIPFT-UHFFFAOYSA-N 320.349 1.463 10 10 DDCE CN[C@H](C)c1ccc(N(C)C(CO)CO)c(Br)c1 386420236 ZHUVYTWGOMZPRA-SECBINFHSA-N 317.227 1.519 10 10 DDCE CCOC(=O)CC[C@H](C)NC(=O)NCc1ccc(OC)cc1O 793133783 YMUBRCZHXRJJBN-NSHDSACASA-N 324.377 1.932 10 10 DDCE O=C(NCc1cccc(O)c1O)[C@@]1([C@H]2CCCCO2)CCCO1 1348046706 ISQPCHSNAPZSRX-PBHICJAKSA-N 321.373 1.832 10 10 DDCE CCC[C@@H](C)N1C[C@H](C(=O)NCc2cccc(O)c2O)CC1=O 1528770593 AUHILRDVSVWRNA-DGCLKSJQSA-N 320.389 1.751 10 10 DDCE CCOc1ccc(N2CCN(C(=O)[C@H](C)CC(N)=O)CC2)cc1 1630992906 ZRPCCTARDBKCLU-CYBMUJFWSA-N 319.405 1.245 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@H]1c1ncon1 1634011837 VXFKEELTGCJQCU-NSHDSACASA-N 303.318 1.777 10 10 DDCE COCCN(CCO)c1ccc([C@H](C)N)cc1Br 164354492 DMEJYGJIDQLKRB-JTQLQIEISA-N 317.227 1.914 10 10 DDCE Cc1ccc(-c2csc(NNS(=O)(=O)N(C)C)n2)cc1 1860405600 LWLSHMPJEWNVRF-UHFFFAOYSA-N 312.420 1.841 10 10 DDCE CO[C@H](CCO)CNCc1cccc(Br)c1O 1972508308 SZYRDRAMRCTXPY-SNVBAGLBSA-N 304.184 1.642 10 10 DDCE CS(=O)(=O)[C@H]1CC[C@H](NCc2ccc(F)c(F)c2O)C1 2145392645 PJEXYANSWURVQG-UWVGGRQHSA-N 305.346 1.726 10 10 DDCE NCc1ccc(N2CC[C@H](O)[C@@H](F)C2)c(F)c1Br 2027987687 YCJNJHVQCWIRJT-WPRPVWTQSA-N 321.165 1.956 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)c1cnc(O)s1 2192566772 JRYKSAOPHOAFGG-QMMMGPOBSA-N 314.388 1.936 10 10 DDCE NCc1cc(F)c(N2[C@H]3CC[C@H]2[C@@H](O)[C@H](O)C3)cc1Cl 2190461578 UORPBWDJMNECOD-MSRLKIHKSA-N 300.761 1.401 10 10 DDCE O=S(=O)(CC1CNC1)Nc1cc(Cl)c(O)c(Cl)c1 2073968932 QQFVJUJIFDAUAX-UHFFFAOYSA-N 311.190 1.660 10 10 DDCE CSc1ncc(CNC(=O)N[C@H]2CC[C@H]2C(=O)O)s1 2269132080 BJDBGQXWSDFFLN-SFYZADRCSA-N 301.393 1.527 10 10 DDCE CO[C@H](CNCc1cnc(SC)s1)C1CCNCC1 2269315457 NVWWGFIFUYGTJP-GFCCVEGCSA-N 301.481 1.969 10 10 DDCE Nc1ccc(OC[C@H](O)C[S@@](=O)CCC(F)(F)F)cc1 2283702116 LCYTZESIFYWQNI-FVINQWEUSA-N 311.325 1.710 10 10 DDCE COc1cc(OC)c(N2C[C@H](O)C[C@@]2(C)CO)cc1Cl 2285920148 PTRCIMIEEVQMML-OTYXRUKQSA-N 301.770 1.679 10 10 DDCE C[C@@H]1C[C@H](NC(=O)C=Cc2ccc(O)c(O)c2)CN1C1CC1 2307989957 OHNBIYUWPGJCRP-YPMHNXCESA-N 302.374 1.852 10 10 DDCE CNCCC[C@@](C)(NCc1cnc(SC)s1)C(=O)O 2346475107 HKXQQTMCABSFJU-GFCCVEGCSA-N 303.453 1.798 10 10 DDCE Cn1cnnc1CCNCc1cc(Br)ccc1O 226212460 JHDBNKAERGUMFY-UHFFFAOYSA-N 311.183 1.616 10 10 DDCE CC[C@@H](COC)NC(=O)N1CCN(c2ccc(OC)cc2)CC1 172399068 KXLWFRINNSGCMB-AWEZNQCLSA-N 321.421 1.952 10 10 DDCE CC1(C)C=C(O)[C@@H](C2(O)C(=O)c3ccccc3C2=O)C(=O)C1 105624214 GYSDYAJVCYHQQU-CYBMUJFWSA-N 300.310 1.854 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)CCCCC(N)=O 187599428 BDINCEDCVJHZFJ-UHFFFAOYSA-N 305.378 1.524 10 10 DDCE Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(O)c(O)c1 182518550 UEDTUJZXFXZNFX-UHFFFAOYSA-N 303.274 1.639 10 10 DDCE COc1cc2c(cc1OC)N(CCN)CC1(CCN(C)CC1)N2 75280781 UYWRPSHMKFYXDX-UHFFFAOYSA-N 320.437 1.359 10 10 DDCE Cc1nn(C)cc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 194008315 MTKAPUSDOBJUNY-VIFPVBQESA-N 304.350 1.892 10 10 DDCE COc1cc(Cl)cc(CN2CCO[C@H](CC(=O)O)C2)c1O 229119428 JCRFSLWRFAWMDZ-LLVKDONJSA-N 315.753 1.730 10 10 DDCE O=C1N[C@@H](c2ccc(N3CCCCC3)cc2)N2CCOC[C@@H]12 93885504 QFNOPXDFEBYSQV-JKSUJKDBSA-N 301.390 1.506 10 10 DDCE CCn1nccc1/C=C\C(=O)NCCc1ccc(O)c(O)c1 255161678 FWEZBVVQBXLSMP-XQRVVYSFSA-N 301.346 1.686 10 10 DDCE C[C@H]1CCOCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 362471382 HBFYFNMYIFCFQA-HNNXBMFYSA-N 319.449 1.822 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 808506459 LRKQWRZJRXPXMD-JTQLQIEISA-N 323.732 1.394 10 10 DDCE CCN(C)c1ccc([C@@H](C)NC[C@]2(CO)COCCN2C)cc1 903283900 YBGBHAVFUNUBDF-QAPCUYQASA-N 321.465 1.486 10 10 DDCE O=C(NCc1ccc(N2CCCC2)cc1)[C@@H](O)C1CCOCC1 735877498 MSEQSVZPFYDVQT-KRWDZBQOSA-N 318.417 1.691 10 10 DDCE COc1ccc2c(c1)CCN2C[C@H](CN)Cc1cnn(C)c1C 903873157 LJMFSNREADAKAE-AWEZNQCLSA-N 314.433 1.917 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CCO[C@@]2(CCSC2)C1 844146264 BEFZITFEHHSDOU-AWEZNQCLSA-N 313.350 1.585 10 10 DDCE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1Cc1ccc(N)cc1 1952756441 DDWARFLSTDOORM-ZDUSSCGKSA-N 305.378 1.547 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CC4(COC4)C3)c(Br)cc21 697097848 LALBFXLKXXHMIU-NSHDSACASA-N 324.178 1.238 10 10 DDCE O=C1CC[C@H](CC(=O)NCc2ccc3cccnc3c2O)CN1 862025014 KVVYPVDURYLQJM-LLVKDONJSA-N 313.357 1.473 10 10 DDCE CC[C@H](CSC)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1118951171 SBSHKHFEWDAPCO-GFCCVEGCSA-N 322.430 1.834 10 10 DDCE O=C1NCC2(CCOCC2)[C@@H]1NCc1cc(F)cc(F)c1O 895767178 WSQHLEKOSKVUQN-CYBMUJFWSA-N 312.316 1.055 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](C)CO3)CC2)cc1F 896899488 SKIJZYUYDQPGRP-WBMJQRKESA-N 322.380 1.908 10 10 DDCE CS(=O)(=O)[C@H]1CCCN(Cc2ccc(F)c(F)c2O)C1 703530650 OVYHLVIWTWUABG-JTQLQIEISA-N 305.346 1.679 10 10 DDCE CC(C)n1cc(C(C)(C)NC(=O)Cc2ccc(O)c(O)c2)nn1 1142471191 GYGZEIXESINOPI-UHFFFAOYSA-N 318.377 1.864 10 10 DDCE C[C@@H]1CC(=O)NCCN1c1ccc(CO)c(Br)c1 687863973 FMHCMAKXXCFLHS-SECBINFHSA-N 313.195 1.656 10 10 DDCE O=C1/C(=C/NCCO)C(c2ccccc2)=NN1c1ccccc1 1088762310 IHJGLIDKLIWNEQ-DTQAZKPQSA-N 307.353 1.903 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)c2ccc[nH]2)cc1C 1272362362 MYCZIHSRVGQDLG-CQSZACIVSA-N 317.389 1.212 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)c1cccc(F)c1 1466353703 HDTIIUVWTVSSNK-ZDUSSCGKSA-N 305.305 1.629 10 10 DDCE CS(=O)(=O)c1ccccc1CNC(=O)c1cc(O)cs1 1469043669 YVLKPZQXTIAAEN-UHFFFAOYSA-N 311.384 1.787 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(F)(F)[C@H](CO)C1 1628410833 VDFSMXBRWHNEKT-JTQLQIEISA-N 301.289 1.116 10 10 DDCE C[C@]1(C(N)=O)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1625958867 YJGJVCRVNVSSSZ-AWEZNQCLSA-N 303.322 1.187 10 10 DDCE CCCOc1ccnc(CC(=O)NCc2ccc(O)c(O)c2)n1 1631434887 WNKKGUWEBBREBU-UHFFFAOYSA-N 317.345 1.536 10 10 DDCE COc1ccc(CNC(=O)c2nccnc2SC)c(O)c1 1639459185 UBFCARFJKQZUPS-UHFFFAOYSA-N 305.359 1.843 10 10 DDCE CCC(=O)N1CCC[C@@H](C(=O)NCc2cc(O)ccc2O)C1 1633595408 VAQZXMWMBLKSJG-LLVKDONJSA-N 306.362 1.363 10 10 DDCE CC(=O)c1cn(C2CN(Cc3ccc(Cl)cc3O)C2)nn1 1660873559 TXQQBJQLYGHJBR-UHFFFAOYSA-N 306.753 1.897 10 10 DDCE CN(C)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C 169813097 PCMMLYBNBRJHJR-CQSZACIVSA-N 301.394 1.847 10 10 DDCE COC[C@@H](C)OC(=O)COC1CCN(c2ccc(N)cc2)CC1 585879967 MOPKDTPFWKAHGU-CYBMUJFWSA-N 322.405 1.832 10 10 DDCE CN(C)c1ccc2c(c1)CN(C(=O)C1CCOCC1)CCO2 827967888 MOMASLOMFFHTCL-UHFFFAOYSA-N 304.390 1.900 10 10 DDCE COc1ccc(Br)c(CNCC[S@@](C)=O)c1O 1964033647 VRCGOCRKVCRZAB-QGZVFWFLSA-N 322.224 1.631 10 10 DDCE C[S@](=O)CC1CN(c2ccc(CO)cc2Br)C1 2001792487 XKNSQYDVIUNOJB-KRWDZBQOSA-N 318.236 1.756 10 10 DDCE CN(CCN=[N+]=[N-])C(=O)c1cc(CNC(=O)OC(C)(C)C)[nH]n1 1985102064 BFBBXDPFTYXMOS-UHFFFAOYSA-N 323.357 1.817 10 10 DDCE COC[C@H]1CNCCN1Cc1c(O)cccc1Br 2028147307 JFSSTWPPNJSCJB-SNVBAGLBSA-N 315.211 1.575 10 10 DDCE CC[C@H](N[C@H]1COC[C@@H]1O)c1cc(Br)ccc1O 323379347 GQHYGFILPRQBSJ-GVXVVHGQSA-N 316.195 1.955 10 10 DDCE CN(C)C[C@H](O)CN(C)c1ccc(CN)c(Br)c1 690204720 PPGBSUZLUDMYIV-LBPRGKRZSA-N 316.243 1.267 10 10 DDCE OCc1ccc(N2CCC(CO)(CO)C2)cc1Br 694613347 KJHRPSDFBFOJTR-UHFFFAOYSA-N 316.195 1.123 10 10 DDCE CCO[C@H]1CCCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2062120752 CWGTUGBDKYRSEX-NSHDSACASA-N 304.350 1.384 10 10 DDCE COc1ccc([C@@H](C)n2ncc(S(C)(=O)=O)c2N)c(O)c1 2070207293 MBNRDYSVIDVBPE-MRVPVSSYSA-N 311.363 1.192 10 10 DDCE COc1ccc([C@H](C(C)C)n2nc(C)c(C(N)=O)c2N)c(O)c1 2079955633 DFGXWHDYQNJBRJ-AWEZNQCLSA-N 318.377 1.832 10 10 DDCE CN(c1ccc(CN)cc1Br)[C@@H]1CCCNC1=O 2051439674 KKSGHPXICIIPMV-GFCCVEGCSA-N 312.211 1.623 10 10 DDCE Oc1ccc(Br)cc1CN[C@@H]1CCn2ncnc2C1 2108916963 CDGVXYXXJVCARE-LLVKDONJSA-N 323.194 1.851 10 10 DDCE COCC1(C(=O)NCc2cnc(SC)s2)CCNCC1 2284499765 PUNYCIMWKIYKPO-UHFFFAOYSA-N 315.464 1.497 10 10 DDCE CCCN[C@@H]1COC[C@@H]1CNCc1cnc(SC)s1 2269311383 DYAPJZFBWRWQAC-CMPLNLGQSA-N 301.481 1.969 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2C[C@@]3(C(=O)O)C[C@H]23)s1 2284506567 GXIDQIHVNBJAPW-RWYTXXIDSA-N 313.404 1.527 10 10 DDCE CO[C@H](C)[C@@H](NC(=O)NCc1cnc(SC)s1)C(=O)O 2284504582 NSADQVRZYWTEPS-HTRCEHHLSA-N 319.408 1.152 10 10 DDCE OCc1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)c(Br)c1 2308660488 GSESCTSDOIAHCB-JIMOISOXSA-N 314.179 1.137 10 10 DDCE COCCN(CCO)Cc1ccc(C)c(Br)c1O 2327629771 PTLKQIIMABWJQK-UHFFFAOYSA-N 318.211 1.904 10 10 DDCE COC1(CO)CN(Cc2ccc(C)c(Br)c2O)C1 2327622178 VMOHRYMOMLJRDP-UHFFFAOYSA-N 316.195 1.656 10 10 DDCE Cc1ccc(CNC(=O)[C@@H](F)CCN)c(O)c1Br 2327792279 IEEJLMIEZIWLGN-VIFPVBQESA-N 319.174 1.766 10 10 DDCE CCN(CC)c1ccc(/C=c2\sc3n(c2=O)CCN=3)cc1 59519816 YEMYVAYUUQHLGT-KAMYIIQDSA-N 301.415 1.218 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCN(Cc3ccon3)CC2)c1 173629759 HPEZJWTWYDKLQX-UHFFFAOYSA-N 318.333 1.606 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCO[C@@]3(CCOC3)C2)cc1 184575655 HRSBAGKPPLBJBO-KRWDZBQOSA-N 319.405 1.454 10 10 DDCE COc1ccccc1C(=O)NCCN1C(=O)CSC1=S 49755532 QWOUPCPKZVVCCJ-UHFFFAOYSA-N 310.400 1.285 10 10 DDCE O=[N+]([O-])c1cc(I)cc([C@@H]2CCN2)c1O 238715210 CLGJJJRLYOJBQX-ZETCQYMHSA-N 320.086 1.939 10 10 DDCE NCc1ccc(N2CCOC[C@H]2CO)c(F)c1Br 231840781 SGVYCHDRAKINIM-SECBINFHSA-N 319.174 1.244 10 10 DDCE CNC[C@H]1CN(Cc2cc(Br)ccc2O)CCO1 234418560 GDYBSLVHUKKWIM-LBPRGKRZSA-N 315.211 1.575 10 10 DDCE CCOc1ccc(O)c(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1 377837273 KUDMPHAXGLCNII-LNSITVRQSA-N 304.390 1.890 10 10 DDCE NS(=O)(=O)C1(CNCc2c(O)cccc2Cl)CCC1 721523060 SHICLQCCMVXFSH-UHFFFAOYSA-N 304.799 1.346 10 10 DDCE COc1cccc(CN2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1O 824654427 OBDUYCVKSLPDFK-ZNMIVQPWSA-N 307.390 1.763 10 10 DDCE CCC/C=C\[C@@H](O)C(=O)NCc1ccc(N2CCOCC2)cc1 900337111 BAEALZHOGCIHED-VGOKWCNXSA-N 318.417 1.857 10 10 DDCE COc1ccc(CCC(=O)NCc2ccc(O)c(O)c2)cn1 901131739 OBPVXWOMQFHAPC-UHFFFAOYSA-N 302.330 1.750 10 10 DDCE C[C@H](O)CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H](C)C1 588613526 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CN1CCOC[C@@H]1CNCc1cc(Cl)cc([N+](=O)[O-])c1O 858276265 MCVWHHXZEFOSRO-NSHDSACASA-N 315.757 1.374 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)Cc1nnc(O)o1 930760968 YRNDGPQSMVOCBP-UHFFFAOYSA-N 304.350 1.244 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cc(CO)on3)C2)cc1 869229345 UYDVHFYAVLOUCI-NSHDSACASA-N 317.345 1.184 10 10 DDCE CC1(F)CN(C(=O)C(=O)NCCCSc2nccs2)C1 1117372802 BQXOSULMWAAYGW-UHFFFAOYSA-N 317.411 1.312 10 10 DDCE C[C@H](Oc1cccc(CO)c1)C(=O)NCc1ccc(O)c(O)c1 778922654 KFSYDYSOJAYHSX-NSHDSACASA-N 317.341 1.674 10 10 DDCE CC[C@@H](CO)N1CCN(Cc2cc(C)cc(OC)c2O)CC1 894062544 ALURHYMPKTWRDE-HNNXBMFYSA-N 308.422 1.598 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCC[C@@H]1N 1328607240 XNGDEDAQBFMJHZ-KGLIPLIRSA-N 303.406 1.996 10 10 DDCE CN1C[C@@H]2[C@@H](CC[C@H]2NC(=O)NCc2ccc(N(C)C)cc2)C1 1346655620 QHPCOJXUKWYMGD-USXIJHARSA-N 316.449 1.892 10 10 DDCE C/C=C(\C)C(=O)N(C)C[C@H](O)CNCc1ccc(OC)c(C)c1 1278742639 COQJQHSQLRRYRL-MSXUNZPYSA-N 320.433 1.879 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 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COc1cccc(CN2CCN(c3cccnn3)CC2)c1O 127982191 UALQBNDQZJLLPQ-UHFFFAOYSA-N 300.362 1.513 10 10 DDCE Cc1cc(C(=O)N[C@@]2(CO)CCOC2)c(C)n1-c1ccccc1 182861929 LMTXHIRVPJBALX-GOSISDBHSA-N 314.385 1.975 10 10 DDCE Cc1noc(C)c1S(=O)(=O)NCCOc1ccc(N)cc1 32216919 VHSOZRZYDPGMFX-UHFFFAOYSA-N 311.363 1.231 10 10 DDCE N[C@H](CO)c1cc([N+](=O)[O-])c(Cl)c(Br)c1O 72199851 KCERXPIFUQUKDY-SCSAIBSYSA-N 311.519 1.708 10 10 DDCE CCCS(=O)(=O)N(C)NCc1cc(Cl)cc(OC)c1O 2365343299 VQYXVNQOINUOJD-UHFFFAOYSA-N 322.814 1.730 10 10 DDCE Cc1cc2c(n1-c1cccc(S(N)(=O)=O)c1)CCC[C@H]2O 41713565 AGWIYSDKSZQRSX-OAHLLOKOSA-N 306.387 1.803 10 10 DDCE COc1cc(Cl)c(N(CCO)CCN(C)C)c(OC)c1 2368120065 DXNDNAFKQRRHEW-UHFFFAOYSA-N 302.802 1.718 10 10 DDCE COCCN([C@@H](C)C1CC1)S(=O)(=O)Cc1ccc(N)cc1 40329927 PXMHUHPWNOADAY-LBPRGKRZSA-N 312.435 1.846 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)c1O 249638064 XEDMIDJZOKYGIZ-ZEMMOTMKSA-N 305.349 1.935 10 10 DDCE Cc1ccc(O)c(CN2CC(S(=O)(=O)NC3CCCC3)C2)c1 378615983 NHHRKLWZAJTIKJ-UHFFFAOYSA-N 324.446 1.747 10 10 DDCE CC(F)(F)[C@H]1C[C@H]1CS(=O)(=O)NCc1ccc(N)cc1 2164633381 JFHJDWRVFNNNRK-JQWIXIFHSA-N 304.362 1.980 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@@H](C(F)F)C1)[C@@H](O)CO2 800853482 RIBKSMWXOZDFPN-WCQYABFASA-N 301.289 1.284 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 808521670 ZLVQUHJCGGWQQQ-UHFFFAOYSA-N 319.357 1.777 10 10 DDCE O=C(C[C@@H](O)Cc1ccccc1)NCCc1ccc(O)c(O)c1 813489194 RPSRNUAYVKCADS-HNNXBMFYSA-N 315.369 1.750 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cnnn1C 824240891 PXQYCGJXTQUEBF-UHFFFAOYSA-N 301.394 1.472 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CC4(CCCO4)C3)cc2N1 858720279 ASAQSUCKNNEPJR-UHFFFAOYSA-N 305.290 1.295 10 10 DDCE CC(C)(CNCc1c(O)cccc1Cl)CS(N)(=O)=O 865813460 UDFRKDHIKZUZTB-UHFFFAOYSA-N 306.815 1.450 10 10 DDCE C[C@H](NS(=O)(=O)c1cn2c(n1)CCCC2)c1ccccc1O 867833820 BLELJTARWPBXRT-NSHDSACASA-N 321.402 1.965 10 10 DDCE Cc1ccc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c(O)c1O 770480551 AZKMRVODFQQPNW-SECBINFHSA-N 318.295 1.773 10 10 DDCE CC[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)NC 897937060 FRGOCATUEBCGAT-QMMMGPOBSA-N 308.359 1.567 10 10 DDCE Oc1cc(Br)ccc1CN1CCO[C@H]2CNC[C@@H]21 686532487 ISORJXQUBZYZBT-AAEUAGOBSA-N 313.195 1.327 10 10 DDCE CC(C)(C)n1cc(C(=O)C(=O)NCc2cc(O)ccc2O)cn1 1153879433 ORBKFIKYTOGBFT-UHFFFAOYSA-N 317.345 1.548 10 10 DDCE C[C@H](N)c1ccc(N2CCSC[C@H]2S(C)(=O)=O)cc1 90922758 DTALQHCPDMZJNW-GXFFZTMASA-N 300.449 1.630 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 1307106008 MAIMJWWDNVKJMW-BNHDAMHGSA-N 320.345 1.988 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2cncn2C)cc1C 1265796563 ILRSBPZREBXZDD-ZDUSSCGKSA-N 316.405 1.645 10 10 DDCE C[C@@H](NCc1cn(C)nn1)c1ccc(N2CCOCC2)cc1 1459864727 CDQZSWHYPJAITC-CYBMUJFWSA-N 301.394 1.503 10 10 DDCE COc1ccc(CNC[C@@H](C)CNC(=O)[C@H](C)OC)cc1C 1714377429 LRQCCIIHFSOSSY-OCCSQVGLSA-N 308.422 1.880 10 10 DDCE CCO[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)[C@@]12CCCO2 1633709535 CBZFQJQNKKMSLA-INMHGKMJSA-N 321.373 1.483 10 10 DDCE Cc1ccc(C(=O)NCc2nc(C(F)(F)F)no2)c(O)c1O 1638318841 FRZNCWFMDODGQJ-UHFFFAOYSA-N 317.223 1.738 10 10 DDCE C[C@@H]1CN(c2ccc(CN)c(Br)c2)CC(=O)N1C 1925972379 VPKXQGMPTWMQJO-SECBINFHSA-N 312.211 1.575 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1COc2ccccc2[C@@H]1O 1641876154 WACRGFYAWREJSM-SJCJKPOMSA-N 315.325 1.251 10 10 DDCE CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)[C@]1(O)CCCOC1 1642097647 JXTFKHREXDUECM-KRWDZBQOSA-N 323.389 1.324 10 10 DDCE O=C(NCc1cccc(Cl)c1O)[C@@H]1CCc2nnc(O)n2C1 1647830154 LHEBRWLMBJDBCP-SECBINFHSA-N 322.752 1.222 10 10 DDCE COc1cccc(CNC(=O)N[C@@H](C)c2nnc(C)o2)c1O 1684831573 PYZPHNTXXOILIG-QMMMGPOBSA-N 306.322 1.653 10 10 DDCE Nc1ccc(CN2CCC[C@H](NC(=O)[C@H]3CCCO3)C2)cc1 586066844 SJYLFVKMHFIQIO-JKSUJKDBSA-N 303.406 1.528 10 10 DDCE Cc1ccc(O)c(CNCCC(=O)Nc2nnc(C)s2)c1 1857875049 HFLRSVNSZWZJDK-UHFFFAOYSA-N 306.391 1.979 10 10 DDCE Cc1ccc([C@H](C)NCCNS(=O)(=O)C(F)F)c(O)c1 1964518219 ZMKRAIHQXLOCMV-VIFPVBQESA-N 308.350 1.493 10 10 DDCE C[C@@H]1[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCN1C(=O)OC(C)(C)C 1980377583 OFIXCUNIYHYKCX-LPWJVIDDSA-N 324.421 1.898 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CO)CN[C@@H]1CCc2cccc(O)c21 1985856525 BZVALJUELHASNT-CHWSQXEVSA-N 322.405 1.855 10 10 DDCE CCOC(=O)CS(=O)(=O)N(C)[C@@H](C)c1ccccc1O 49061782 GHHZAEXFXKFFIK-JTQLQIEISA-N 301.364 1.278 10 10 DDCE CO[C@H]1CNCC[C@H]1Nc1c(N)cccc1Br 2016907927 KMSJAINMZSYFPI-MNOVXSKESA-N 300.200 1.820 10 10 DDCE COc1cc(Cl)cc(CN2CCS(=O)(=O)[C@H](C)C2)c1O 184695579 VDRZBABXZIDAHE-SECBINFHSA-N 319.810 1.673 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)[C@H](C)c3cccnc3)c2n1 2062289550 TUFHWDKTFISGEJ-LLVKDONJSA-N 311.345 1.972 10 10 DDCE Cn1nc(Br)c([C@@H](O)[C@H](N)c2ccccc2O)n1 2048781337 PZKBKVFUULLQDA-SCZZXKLOSA-N 313.155 1.017 10 10 DDCE CNCc1ccc(N2CCn3ncnc3C2)cc1Br 2114039196 XVAAYPQVDSKKIV-UHFFFAOYSA-N 322.210 1.780 10 10 DDCE Cn1nc(Br)c(CNCc2c(O)cccc2F)n1 2208569806 VXRUNHVHYPTUJU-UHFFFAOYSA-N 315.146 1.712 10 10 DDCE O=C1Nc2cc(N3C[C@@H](O)C[C@H](F)C3)c(Cl)cc2[C@@H]1O 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DDCE Cc1cc(I)c(O)c([C@@H](N)CCO)c1 238544067 BFEVBKMOQQENPJ-VIFPVBQESA-N 307.131 1.687 10 10 DDCE CN[C@@H](C)c1ccc(N2CCNC(=O)C2)cc1Br 234452763 GCCVTFRTSLNDLO-VIFPVBQESA-N 312.211 1.666 10 10 DDCE CCOCc1cc(CNC[C@@H](O)[C@@H]2CCCO2)ccc1OC 527759323 SVBMRFVFNKZUGV-WBVHZDCISA-N 309.406 1.861 10 10 DDCE COC(=O)[C@H]1CCCN(Cc2cc(OC)c(OC)cc2O)C1 271055311 ABXWTVADUVEIMJ-NSHDSACASA-N 309.362 1.794 10 10 DDCE Cc1cc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)ccc1N(C)C 293950936 BSVWPECVYULREG-KRWDZBQOSA-N 316.405 1.235 10 10 DDCE CCOc1ccc(O)c(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c1 827544671 HXPRGEFWUSAUGW-AWEZNQCLSA-N 321.421 1.979 10 10 DDCE CN1CCN(c2ccc(CN[C@@](C)(CCF)C(=O)O)cc2)CC1 901916607 VNRNHMYXYHVBKG-KRWDZBQOSA-N 323.412 1.731 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CC[C@H](C3CC3)N2)cc1 846663967 TVPKAVDUTXERNV-ZACQAIPSSA-N 316.449 1.399 10 10 DDCE O=C(NCc1c(O)cccc1F)NC[C@@H]1CN(C2CC2)C(=O)O1 923131260 SCGFHDHPNJXSPN-SNVBAGLBSA-N 323.324 1.314 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)C3)C2)cc1 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CN(CCN=[N+]=[N-])C(=O)C(C)(C)ONC(=O)OC(C)(C)C 1885560611 FNBPSFCZCBKPGJ-UHFFFAOYSA-N 301.347 1.990 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1c[nH]nc1[C@H]1CCCO1 1294869839 NRYWBOFLXVVRSP-CYBMUJFWSA-N 303.318 1.602 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](Nc2ncccn2)C1 1299887303 RMCNBBAEIPHTMD-GFCCVEGCSA-N 314.345 1.143 10 10 DDCE CN(Cc1nccn1C(F)F)C(=O)Cc1ccc(O)c(O)c1 1463526104 RBLRLUVHESAGKZ-UHFFFAOYSA-N 311.288 1.891 10 10 DDCE COC(=O)C1(CNC(=O)Cc2ccc(O)c(O)c2)CCCC1 1545355811 KVBOGMYSCIQKDD-UHFFFAOYSA-N 307.346 1.490 10 10 DDCE CC(=O)C(=O)[C@]1(O)CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1919164668 XOXLJNVSCCEKNQ-HSMVNMDESA-N 311.378 1.543 10 10 DDCE CO[C@H]1COCC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 1636303594 WQBALWISZGOLHO-YPMHNXCESA-N 320.349 1.630 10 10 DDCE COC(=O)c1cc(C)c(C(=O)NCCc2ccc(O)c(O)c2)o1 1631516506 ACEAVIQWURKWRF-UHFFFAOYSA-N 319.313 1.758 10 10 DDCE CCN1CC[C@@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 1631363054 APXVFKNQZHAZSG-RHSMWYFYSA-N 317.433 1.795 10 10 DDCE CN(CC(=O)NCc1ccc(O)cc1O)Cc1ccccc1 1638352470 PFKWXWLNDMHKJA-UHFFFAOYSA-N 300.358 1.846 10 10 DDCE CCS(=O)(=O)N(C)CCN[C@@H](C)c1ccc(C)cc1O 1926346099 UMXQOBLNPJVXGR-LBPRGKRZSA-N 300.424 1.633 10 10 DDCE Cc1ncc2c(n1)CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C2 1588233008 UXDMGUJFOWMFHA-ZDUSSCGKSA-N 313.357 1.412 10 10 DDCE CN(C)c1ccc(CNCCC(=O)N2CCC(=O)CC2)cc1 1857862993 MPXIBKHZGJAVKN-UHFFFAOYSA-N 303.406 1.424 10 10 DDCE CC1(C)[C@H](CNCc2ccc(F)cc2O)CCS1(=O)=O 1967858655 VCLTVGLWAHZOIN-NSHDSACASA-N 301.383 1.834 10 10 DDCE Nc1cc2c(cc1N1CCC[C@H](C3OCCO3)C1)CCC(=O)N2 2145846179 PRCPTNGQBAPZLU-LBPRGKRZSA-N 317.389 1.743 10 10 DDCE OC[C@]1(NCc2c(O)cccc2Br)C[C@@H](O)C1 2020571558 CYPQJRCVJMTKFZ-LYWQIFSTSA-N 302.168 1.130 10 10 DDCE CO[C@H]1COC[C@@H]1CNCc1cc(Br)ccc1O 2036601263 CSODYAOEULOISY-GWCFXTLKSA-N 316.195 1.906 10 10 DDCE NCc1ccc(N2CCC(O)(CO)CC2)c(Br)c1 313658905 TYKSMXRGRQUESE-UHFFFAOYSA-N 315.211 1.231 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H](O)CC(F)(F)F)cc1 2175691146 WRGXDEFXVOGRFR-SNVBAGLBSA-N 312.313 1.002 10 10 DDCE CCCN(CC(N)=O)c1ccc(CN)c(Br)c1F 386182259 IXSGJTWWOONMRO-UHFFFAOYSA-N 318.190 1.749 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H](c4ccco4)C3)c2n1 2064927296 DFDVJXPYDOJNPH-NSHDSACASA-N 312.329 1.966 10 10 DDCE C[C@H]1CN(c2cc(Cl)c(CN)cc2F)C[C@H](C)S1(=O)=O 2177382299 YUSJPAAFLVGLQY-IUCAKERBSA-N 320.817 1.950 10 10 DDCE CN(C)c1ccc([C@@H](O)c2nn(C)nc2Br)cc1 2048790957 RPMVROZTEMHGGQ-LLVKDONJSA-N 311.183 1.725 10 10 DDCE CN1C(=O)[C@@H](O)c2ccc(N3CC(SC(F)F)C3)cc21 2196692792 RRPHKLXKYULTSM-NSHDSACASA-N 300.330 1.841 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3C[C@@H]3[C@@H]2CO)cc1Br 2078272616 FZHZQTKFYREDRA-RVBZMBCESA-N 315.186 1.864 10 10 DDCE NCc1ccc(N2CC(=O)N3CCC[C@H]3C2)cc1Br 2102008311 VLWCJMIITMOVAO-LBPRGKRZSA-N 324.222 1.719 10 10 DDCE COc1ccc(Br)c(CNC2[C@H]3COC[C@H]23)c1O 2220463074 VZBQURUMXCXGOW-IUCAKERBSA-N 314.179 1.898 10 10 DDCE COc1ccc(N(CCS(C)(=O)=O)C(C)C)c(CN)c1 2235965128 XTSQFYPYPCYHCO-UHFFFAOYSA-N 300.424 1.413 10 10 DDCE COCCNC=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 2297456686 SONIUUSYHDJWAN-UHFFFAOYSA-N 304.306 1.437 10 10 DDCE Cc1ccc(CN(C)C[C@H](O)CCN)c(O)c1Br 2327603339 PKCBSMOKHBPDSD-LLVKDONJSA-N 317.227 1.605 10 10 DDCE Cc1cccn(CC(=O)NCc2ccc(N(C)C)c(F)c2)c1=O 180103216 IALIICXGVQJQNY-UHFFFAOYSA-N 317.364 1.678 10 10 DDCE Cn1cc(CN2CCCN(Cc3cc(F)ccc3O)CC2)cn1 180111626 QYHNVXWDVWNOII-UHFFFAOYSA-N 318.396 1.973 10 10 DDCE COc1ccc(N2CCC(NC(=O)C[C@H]3CCNC3)CC2)cc1 130662282 SEMHLMMZFPOFCS-CQSZACIVSA-N 317.433 1.780 10 10 DDCE C[C@H](O)CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1C 245706108 MLKONWFVADXDAF-PBYRWIMMSA-N 320.389 1.025 10 10 DDCE Cc1cc(Cl)cc(CN2CC[C@@H](S(C)(=O)=O)C2)c1O 282253569 BIPDWKDDSJEFPR-GFCCVEGCSA-N 303.811 1.973 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(NC(=O)c2ccco2)c1 808506494 MIWFUKRZOHXMAS-UHFFFAOYSA-N 315.281 1.847 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1 808518589 LPPLHOUOIJLCKN-QGZVFWFLSA-N 317.341 1.383 10 10 DDCE CN1CCN(c2ccc(CN3CC[C@H](O)C3(C)C)cc2)CC1 812778981 SDCLQUDXKQDXEW-KRWDZBQOSA-N 303.450 1.784 10 10 DDCE COC(=O)/C=C\c1ccc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c([N+](=O)[O-])c1 813616092 AUNSRCASKZKHKP-GTMDLUHKSA-N 318.329 1.456 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCS(=O)CC2)c([N+](=O)[O-])c1 729263999 PMIIVBYFRQDCBR-HYXAFXHYSA-N 324.358 1.350 10 10 DDCE CN(C)c1ccc(CNC(=O)c2c(C(=O)O)cnn2C)cc1F 901754004 JRFVBNPZTDETSD-UHFFFAOYSA-N 320.324 1.253 10 10 DDCE Cc1nc(C2(NC(=O)/C=C\c3ccc(O)c(O)c3)CCC2)no1 588408161 YMNHIBDBJDSFQR-XQRVVYSFSA-N 315.329 1.998 10 10 DDCE COc1ccc(N2CC[C@@H](N3C(=O)[C@@H](C)NC3=S)C2)cc1 849170743 ONESTCOFLDUUPS-ZYHUDNBSSA-N 305.403 1.379 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)CCOC1CNC1 843488164 SDCCLQSEUZEKFD-UHFFFAOYSA-N 305.422 1.480 10 10 DDCE CCn1cc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 855232590 VPCDGWYHNJXEEC-AWEZNQCLSA-N 314.389 1.920 10 10 DDCE COC[C@@H](CCCN)NCc1ccc(N2CCN(C)CC2)cc1 925763269 RLTUJRLVOKIRJX-QGZVFWFLSA-N 320.481 1.282 10 10 DDCE COCCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851961078 VRDPBYNEECIFBV-CQSZACIVSA-N 321.421 2.000 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cccnc3O)C2)cc1 855231634 KNCAUKXNYCGWMY-GFCCVEGCSA-N 313.357 1.805 10 10 DDCE Cc1cc(CN[C@H]2C(=O)NCC23CCOCC3)ccc1N(C)C 925433054 BGTLJRRREIQVDA-INIZCTEOSA-N 317.433 1.446 10 10 DDCE C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1[C@H]2CN[C@H]1C2 925500344 DLLXHGMHWUXYBZ-LFVTVUPYSA-N 301.434 1.609 10 10 DDCE Cc1ccc(C(=O)NC[C@]2(OC(C)C)CCOC2)c(O)c1O 928753235 JPEVTPXJLYNPHQ-MRXNPFEDSA-N 309.362 1.720 10 10 DDCE C[C@H](NC[C@]1(OCCO)CCOC1)c1cc(F)cc(F)c1O 850506056 BRDHSGCYOPUQFB-ZUZCIYMTSA-N 317.332 1.489 10 10 DDCE CC[C@H](Cn1cncn1)N[C@@H]1CCN(c2ccc(OC)cc2)C1 850487898 JYTONYIGPCNIMV-HUUCEWRRSA-N 315.421 1.934 10 10 DDCE COC(=O)C1=CC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 861640621 MZOIAVJGXCBWPL-AWEZNQCLSA-N 303.362 1.372 10 10 DDCE COc1ccc(N2CCN(C(=O)CCNCC3CC3)CC2)cc1 870853745 FALFJZZZPJLHGV-UHFFFAOYSA-N 317.433 1.734 10 10 DDCE O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCCSCC1 1118940733 QYAQRNSSMUWUFT-UHFFFAOYSA-N 306.387 1.200 10 10 DDCE O=C(COC(=O)c1cnn2c1CCCC2)c1ccc(O)c(O)c1 784321380 HKFXVXLIWUNTBQ-UHFFFAOYSA-N 316.313 1.670 10 10 DDCE O=S1(=O)CC(C2CN(Cc3ccc(F)c(F)c3O)C2)C1 895423683 BEFGNHVBTYAWFW-UHFFFAOYSA-N 303.330 1.147 10 10 DDCE CC[C@@H](NOCC(N)=O)c1cc(Br)ccc1O 169144753 VBHAPBARFKLBKM-SECBINFHSA-N 303.156 1.612 10 10 DDCE CN(c1cc(Cl)c(CN)cc1F)[C@@H]1CCS(=O)(=O)C1 2120881138 IOXFOTMORYTMGM-SECBINFHSA-N 306.790 1.561 10 10 DDCE COc1ccc(CNCC2(NC(C)=O)CCOCC2)cc1C 1327607803 RVVXHDYLRNGCTC-UHFFFAOYSA-N 306.406 1.779 10 10 DDCE CN(C)S(=O)(=O)CCCN1CCCC[C@@H](CN=[N+]=[N-])C1 1912150061 OPRWYRVRWGBHCG-LBPRGKRZSA-N 303.432 1.680 10 10 DDCE CCCCNC(=O)COc1ccc(N(C)C)c(C(=O)OC)c1 1351779823 CYMXMGROITYGBB-UHFFFAOYSA-N 308.378 1.834 10 10 DDCE C/C(=C\C(=O)N1C[C@H](C(N)=O)Cc2ccccc21)c1cnccn1 1455969784 GMGFIVKJLKSEHM-CEFACKQISA-N 322.368 1.571 10 10 DDCE CC(=O)C(=O)[C@@H](O)[C@H](CNC(=O)OC(C)(C)C)CC(C)C 1919368281 LCTYLYQLUJBNMG-AAEUAGOBSA-N 301.383 1.692 10 10 DDCE C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)cc1O 1639444779 ZIGCCEUAKKNVFW-JTQLQIEISA-N 324.377 1.875 10 10 DDCE Cc1cnc2c(cnn2CC(=O)NCc2ccc(O)cc2O)c1 1638356701 MCPFKFUJTXSLBQ-UHFFFAOYSA-N 312.329 1.467 10 10 DDCE Cc1cc(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)ccc1N(C)C 1656384900 WOUJLGWKSRDXQL-DOTOQJQBSA-N 322.474 1.928 10 10 DDCE O=C(CN1Cc2ccccc2C1=O)NCc1cc(O)ccc1O 1593873220 LRTFRDLTPDHUFT-UHFFFAOYSA-N 312.325 1.370 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCN=[N+]=[N-])C(C)(C)O 1887260271 RDGHLBSGXIARIV-QMMMGPOBSA-N 301.347 1.077 10 10 DDCE CC(C)(C)OC(=O)N1CC(ONCc2ccc(O)cc2O)C1 1975278869 BXZYVVBQIHEEAE-UHFFFAOYSA-N 310.350 1.738 10 10 DDCE CC[C@@H](CS(C)(=O)=O)N[C@@H](C)c1ccc(OC)cc1O 2146299556 MNXSGIXPQPMUBX-QWRGUYRKSA-N 301.408 1.875 10 10 DDCE NCc1cc(F)c(N2CCO[C@]3(CCOC3)C2)cc1Cl 2177386637 CVDCWKWXSQVNLQ-CQSZACIVSA-N 300.761 1.934 10 10 DDCE NCc1ccc(N2CCN(C3CC3)C(=O)C2)cc1Br 2114173235 QSOOABUTOAQOFF-UHFFFAOYSA-N 324.222 1.719 10 10 DDCE O=C1Nc2cc(N3C[C@@H](O)C[C@H](F)C3)c(Cl)cc2[C@H]1O 2234673146 MANZXRBXRGJNBJ-DJOAAKCGSA-N 300.717 1.235 10 10 DDCE O=C(O)CN1C(=O)C(=Cc2ccccc2[N+](=O)[O-])SC1=S 2293026447 BNVZBLFDBSZWJL-UHFFFAOYSA-N 324.339 1.881 10 10 DDCE CO[C@H]1C[C@H](CO)N(c2ccc(CN)c(Br)c2)C1 311133295 RKXKZJDEOKCFRH-NEPJUHHUSA-N 315.211 1.494 10 10 DDCE Nc1ccc(O)c(CNC2=NS(=O)(=O)c3ccccc32)c1 37671348 PRMKRXGUJRNGRH-UHFFFAOYSA-N 303.343 1.213 10 10 DDCE CCOC(=O)c1sc(NN(C)S(C)(=O)=O)nc1C1CC1 2365342313 ZIVPNJGDKFMFJK-UHFFFAOYSA-N 319.408 1.416 10 10 DDCE CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 121900325 YRELNTIEAGVPPI-AWEZNQCLSA-N 307.419 1.290 10 10 DDCE C[C@H]1CCS(=O)(=O)CCN1Cc1cc([N+](=O)[O-])ccc1O 192058762 UHPWFNGNRIPCMU-JTQLQIEISA-N 314.363 1.309 10 10 DDCE COc1cc2c(cc1OC)N1CCS(=O)(=O)C[C@H]1CCN2 97829286 YQZKWSIYFRGYAT-SNVBAGLBSA-N 312.391 1.123 10 10 DDCE CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1 803564771 DHXFAUQRWDDHFX-QKOWSDGPSA-N 323.389 1.385 10 10 DDCE N[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C(F)(F)F 827567193 CBVOVTJPTLUIGR-LBPRGKRZSA-N 317.311 1.029 10 10 DDCE CCN(C)c1ccc([C@H](C)NC[C@]2(CO)COCCN2C)cc1 903283901 YBGBHAVFUNUBDF-YJBOKZPZSA-N 321.465 1.486 10 10 DDCE CO[C@@](C)(CO)CNC(=O)NCc1ccc2c(c1)CCCN2C 847303970 XAEFROXUSIVHNC-QGZVFWFLSA-N 321.421 1.266 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3ncccc3O)C2)cc1 855224607 GIZNKABWICVBDN-LBPRGKRZSA-N 313.357 1.805 10 10 DDCE CN(C)CCC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1 852924340 NYPGAEYFQPMZQN-MRXNPFEDSA-N 305.422 1.381 10 10 DDCE COc1cccc(O)c1CNCCC1(CS(C)(=O)=O)CC1 850342764 MVTCQWHWMOHTHJ-UHFFFAOYSA-N 313.419 1.705 10 10 DDCE CC1(Cn2cc(C(=O)NCc3c(O)cccc3F)nn2)COC1 928708561 PBPMARQFGZNLJC-UHFFFAOYSA-N 320.324 1.089 10 10 DDCE O=C(C=C1CCNCC1)NCc1ccc(N2CCOCC2)cc1 852859230 PSPRZZWCSZZHGD-UHFFFAOYSA-N 315.417 1.449 10 10 DDCE C[C@]12CCCC[C@H]1CN2C(=O)C(=O)NCCc1ccc(N)cc1 861776414 LAAVZKBYENTHHF-KSSFIOAISA-N 315.417 1.719 10 10 DDCE Cc1cc(Br)c(O)c(CNC[C@]2(O)CCOC2)c1 781635399 HBPIMHHPDRLGGG-CYBMUJFWSA-N 316.195 1.704 10 10 DDCE CN(C)C(=O)C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 789944367 RISGRHUYSVYNHZ-UHFFFAOYSA-N 310.325 1.177 10 10 DDCE Nc1ccc(Cn2ccnc2C[C@@H]2CCS(=O)(=O)C2)cc1 82735526 AXSUIGISAMGVTG-ZDUSSCGKSA-N 305.403 1.491 10 10 DDCE CC(C)(C)[C@@H](O)C[C@H](CO)NCc1cc2c(cc1O)OCO2 790619168 NHLKNTLDLLVGIP-ABAIWWIYSA-N 311.378 1.369 10 10 DDCE O=C(O)[C@H]1C[C@H]1CNCc1ccc(Br)cc1O 715365623 VAOUVLCFXQHWTM-WPRPVWTQSA-N 300.152 1.965 10 10 DDCE COC(=O)Cc1occc1C(=O)NCc1c(O)cccc1F 1303876226 XWPKYUQBUNWJAC-UHFFFAOYSA-N 307.277 1.770 10 10 DDCE COc1ccc(CN(CCO)C(=O)c2cccc(O)c2O)cc1 1303034845 CZVOXSRRAUNZIH-UHFFFAOYSA-N 317.341 1.741 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1nnc2ccccc2c1O 1451763953 DFZWRIDWYMXCBN-UHFFFAOYSA-N 311.297 1.677 10 10 DDCE CCC(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1298806955 JWWFJINFMMOBEK-VIFPVBQESA-N 305.338 1.494 10 10 DDCE COc1cccc(CNC(=O)/C=C\[C@H]2COC(C)(C)O2)c1O 1622779820 WXRZTZZWRQOVMO-KRZKBDHCSA-N 307.346 1.725 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cnc(-c2ccccn2)nc1 1631439094 VHMXKHUJGBGSOM-UHFFFAOYSA-N 322.324 1.880 10 10 DDCE CC(=O)NCCN=NNc1ccc(N2CCN(C)CC2)cc1 1860492635 CFMDXPSNOBWMBL-UHFFFAOYSA-N 304.398 1.354 10 10 DDCE Nc1ccc(-n2nnc(C(=O)OCc3ccc(F)cc3)n2)cc1 1857878713 JVRFYNONNIDTAO-UHFFFAOYSA-N 313.292 1.741 10 10 DDCE O=S1(=O)CCC[C@@H](CNCc2ccc(Cl)cc2O)C1 1308796702 SMAQFBXFPYCWRM-JTQLQIEISA-N 303.811 1.960 10 10 DDCE CON(CCC(=O)N(C)CCN=[N+]=[N-])C(=O)OC(C)(C)C 1885562357 FJKXEJKJANVJHA-UHFFFAOYSA-N 301.347 1.944 10 10 DDCE O=S1(=O)C[C@H]2CCN(Cc3cc(F)cc(F)c3O)[C@@H]2C1 2151232064 DUMAJIUHWMVOFL-PRHODGIISA-N 303.330 1.289 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 1988130632 LMCCRYKQUAGYDA-RKDXNWHRSA-N 324.333 1.199 10 10 DDCE C[C@H]1CCN(c2ccc(CN)cc2Br)[C@H]1C(N)=O 2029785842 IBPALTNBIFXMRK-QPUJVOFHSA-N 312.211 1.608 10 10 DDCE CCS(=O)(=O)[C@@H]1CSCCN1CCc1ccc(N)cc1 90926514 KQKMXCMFHXALBN-CQSZACIVSA-N 314.476 1.621 10 10 DDCE NCc1ccc(N2CC(n3cncn3)C2)cc1Br 707644700 ZOQNVJAWTMNYAM-UHFFFAOYSA-N 308.183 1.561 10 10 DDCE CCCN(CCOc1ccc(N)cc1)CCS(C)(=O)=O 2170176592 XCKGDRKFYLALLO-UHFFFAOYSA-N 300.424 1.404 10 10 DDCE CC1(C)C[C@H](COc2nnc(=N)[nH]n2)N(C(=O)OC(C)(C)C)C1 2210647489 SHCNEGPXKFFRQP-SECBINFHSA-N 324.385 1.094 10 10 DDCE Oc1cccc(Br)c1CNC[C@@H]1Cc2nncn2C1 2111446380 VCGHOLIETCATJY-VIFPVBQESA-N 323.194 1.708 10 10 DDCE Cc1nc2c(s1)CN(S(=O)(=O)Cc1ccc(N)cc1)C2 2201398199 UDXGOFJAAXIEAF-UHFFFAOYSA-N 309.416 1.879 10 10 DDCE COc1ccc(N2CC(S(=O)(=O)C(F)F)C2)c(C=O)c1 2235990994 XZWDMYFWIVSBKS-UHFFFAOYSA-N 305.302 1.334 10 10 DDCE CSc1ncc(CNc2cc3nnc(O)n3c(C)n2)s1 2284507535 MCDXMPOJZFSPRX-UHFFFAOYSA-N 308.392 1.929 10 10 DDCE COc1ccc(C=C2C(=O)NC(=O)N(C(C)(C)C)C2=O)cc1 2296933337 GGXJBJMYNXXFPF-UHFFFAOYSA-N 302.330 1.956 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NC[C@H]1CN(C2CC2)CCO1 2307987173 JCYLIKDCBBWCEE-AWEZNQCLSA-N 318.373 1.090 10 10 DDCE CSc1ncc(CN[C@](C)(CCCCN)C(=O)O)s1 2350655821 QIVCURPRDHKRBX-GFCCVEGCSA-N 303.453 1.927 10 10 DDCE Cc1cc(C(=O)CN2C(=O)CNC2=O)c(C)n1-c1ccccc1 7979519 BGGWOLQEBXIYGN-UHFFFAOYSA-N 311.341 1.829 10 10 DDCE CN(C)C(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3C)CC1 62093275 COSQBFOZBXCTFN-UHFFFAOYSA-N 316.405 1.399 10 10 DDCE C[C@H](NCC(C)(C)C(N)=O)c1ccc(N2CCOCC2)cc1 183206303 BUOKIDHTXAFNKR-ZDUSSCGKSA-N 305.422 1.685 10 10 DDCE C[C@H](NCCCOCCO)c1ccc(N2CCC(O)CC2)cc1 180238297 MIHPJSJALXZCNO-HNNXBMFYSA-N 322.449 1.697 10 10 DDCE CN1C(=O)C[C@@H](NCc2cccc(Br)c2O)C1=O 88774594 QGTGHRSOUPCPLS-SECBINFHSA-N 313.151 1.002 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CO[C@]3(CN)C[C@H]2C3)s1 2368832459 BSMQTUWMJSIHEA-GMOODISLSA-N 313.448 1.235 10 10 DDCE CCOc1ccc(O)c(CN2CCN([C@@H](CC)CO)CC2)c1 93740315 BSYYIGZWZOOYQO-HNNXBMFYSA-N 308.422 1.679 10 10 DDCE COC(=O)C1(CN2CCN(c3ccc(OC)cc3)CC2)CC1 284208996 ZDYASHGQINREGB-UHFFFAOYSA-N 304.390 1.770 10 10 DDCE COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)[C@@H]3C)CC2)cc1 293196531 XKVFBUFYPNKFKG-CABCVRRESA-N 317.433 1.684 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1COCCO1 827337166 SUFDPLDNCIEBJZ-KRWDZBQOSA-N 306.406 1.370 10 10 DDCE COc1ccc(CC(=O)OCC(=O)C(C)=O)c(Cl)c1OC 838000142 ZWAUYGWVSFWFDX-UHFFFAOYSA-N 314.721 1.601 10 10 DDCE NC/C=C\CNC(=O)NCc1cc(Br)ccc1O 841997400 SCJCJASHWZFHSA-UPHRSURJSA-N 314.183 1.469 10 10 DDCE CC(C)[C@@H](C)OC(=O)c1cc(NS(C)(=O)=O)ccc1O 849712969 UKGYCVFZJCPUCZ-SECBINFHSA-N 301.364 1.965 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCN([C@H]3CCNC3)CC2)cc1 843124535 GOTPMAZTHLCXFB-RTLBZRNLSA-N 314.477 1.745 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCNC3)C2)cc1 852843516 ADZBGTYDHBOCJG-KBPBESRZSA-N 303.406 1.390 10 10 DDCE C[C@H](c1nccn1C)N1C(=O)CN(Cc2ccccc2O)C1=O 853088977 LNNSEHWDWQJCMA-LLVKDONJSA-N 314.345 1.651 10 10 DDCE Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)c2cccc(O)c2O)cn1 855871384 XOZRRCPARSZHDI-JSGCOSHPSA-N 315.373 1.973 10 10 DDCE COC(=O)[C@@H](NCc1cc(Cl)ccc1O)c1ccn(C)n1 787438213 JGXCKUMJMFTMGM-ZDUSSCGKSA-N 309.753 1.783 10 10 DDCE CCNS(=O)(=O)NCc1cc(Br)ccc1O 796190943 NPJLGPDOONYHMM-UHFFFAOYSA-N 309.185 1.099 10 10 DDCE CN1C(=O)NC(=O)/C(=C/c2cccc(Br)c2)C1=O 1084128346 BQESWXCOBAGMPY-TWGQIWQCSA-N 309.119 1.541 10 10 DDCE CNC(=O)c1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 1292157607 XSUSYQAFGKWJJI-UHFFFAOYSA-N 314.341 1.316 10 10 DDCE COc1cc(C(=O)N[C@H](C)CNC(=O)CC2CC2)cc(OC)n1 1295401198 NCESXPBMROFNRG-SNVBAGLBSA-N 321.377 1.133 10 10 DDCE COc1cc(C(=O)N[C@@H](C)CNC(=O)CC(C)C)cc(OC)n1 1704006222 NUIJIOXSUGQOEB-NSHDSACASA-N 323.393 1.379 10 10 DDCE CS(=O)(=O)c1ccccc1C(=O)NCc1cccc(O)c1O 1558160231 UDOQPMDWNHNNJM-UHFFFAOYSA-N 321.354 1.431 10 10 DDCE O=C(Cc1ccc2c(c1)NC(=O)C2)NCc1ccc(O)cc1O 1630301712 HZLQMWVYCVKKLP-UHFFFAOYSA-N 312.325 1.451 10 10 DDCE COc1ccc(C(=O)NCCc2ccc(O)c(O)c2)c(N)c1F 1636022023 DDWXHXFARUKMHG-UHFFFAOYSA-N 320.320 1.800 10 10 DDCE COc1ccc(-n2cc(C(=O)NCc3ccccc3O)nn2)cc1 1595800291 RZJNPHCKYQUDOV-UHFFFAOYSA-N 324.340 1.912 10 10 DDCE CN(C)c1ccc([C@@H](NC(=O)c2cc[nH]n2)c2nccn2C)cc1 1866196253 NLNVDQSQUBGUCP-OAHLLOKOSA-N 324.388 1.729 10 10 DDCE Cc1cc(=O)c(OCCO)cn1CCOc1ccc(N)cc1 1857916622 DRXNSVOQRFCEAU-UHFFFAOYSA-N 304.346 1.189 10 10 DDCE Cc1ccc(CNCCn2ncc(Br)n2)c(O)c1 1876001401 CQMJLKRLBIPMNM-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE CO[C@@H]1COC[C@H]1CNCc1cccc(Br)c1O 2036603549 WKKLAPBJVWCBIT-ZYHUDNBSSA-N 316.195 1.906 10 10 DDCE C[C@@H](C[C@H]1CCCS1(=O)=O)NCc1cc(F)ccc1O 2156770147 AMJREXIDFPEEHJ-GXFFZTMASA-N 301.383 1.977 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1O 2170657780 RYTIPXQJWQCIHF-DCAQKATOSA-N 301.408 1.703 10 10 DDCE O=C(O)c1cn(Cc2ccc(Br)cc2O)nc1O 2070593418 JLUOSLGREKVDBO-UHFFFAOYSA-N 313.107 1.803 10 10 DDCE C[C@@]1(C(F)F)C[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2177405982 BTSBQFKZAAZZSW-ZWNOBZJWSA-N 304.362 1.980 10 10 DDCE COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2183615081 BNKHNMKCFPPBBY-ZJUUUORDSA-N 304.372 1.290 10 10 DDCE CN[C@H](C)c1ccc(N2CC(S(C)(=O)=O)C2)cc1Cl 2095964979 PTKPHPSTNRHIKE-SECBINFHSA-N 302.827 1.854 10 10 DDCE CSc1ncc(CNC(=O)N(C)C[C@H](C)C(=O)O)s1 2269093808 FHMCEYYWNGXSBJ-ZETCQYMHSA-N 303.409 1.727 10 10 DDCE Oc1ccc(Br)cc1CN[C@@H]1COC2(COC2)C1 2258418042 KSICPVWHZIOZCG-NSHDSACASA-N 314.179 1.802 10 10 DDCE COCCN(C[C@@H](C)O)c1ccc(CN)c(Br)c1 2259719573 OSFRPCMBJWNCDX-SNVBAGLBSA-N 317.227 1.741 10 10 DDCE [N-]=[N+]=NCCCN1CCN(S(=O)(=O)C(F)(F)F)CC1 2267816365 PFECYOLNIAPPAP-UHFFFAOYSA-N 301.294 1.154 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@@H](C(N)=S)C2)s1 2269285546 RNOAIILFZWIJGP-SSDOTTSWSA-N 316.477 1.683 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)c(Cl)c1 2336464231 CZEWDECQSGCIKN-DFAYQTQMSA-N 301.795 1.627 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCOC[C@H]2C)s1 2345461590 QQRPNZOEVVYESW-PELKAZGASA-N 302.421 1.834 10 10 DDCE CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 52102527 VQWLRHXFRPCABD-QGZVFWFLSA-N 319.449 1.822 10 10 DDCE COc1cc(OC)c(N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1Cl 2359510873 YZMABTFAQRPOHI-BREBYQMCSA-N 305.733 1.237 10 10 DDCE C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)N1CCCCC1=O 189520318 ZAUYMEZIKNKUCA-GFCCVEGCSA-N 320.389 1.548 10 10 DDCE C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1N1CCOCC1 180224019 UTBZPGUTDSJLQR-QAPCUYQASA-N 303.450 1.905 10 10 DDCE Cn1nc(C(F)F)c([C@H](NCCN=[N+]=[N-])C(N)=O)c1Cl 2365260158 SQRIJLSWFOTKDU-LURJTMIESA-N 307.692 1.437 10 10 DDCE COC(C)(C)[C@@](CSc1nccs1)(NC1CC1)C(N)=O 2366298284 BVPSYKZFSFKHRN-ZDUSSCGKSA-N 315.464 1.636 10 10 DDCE CC(C)c1ccc([C@@H](C)NC=C2C(=O)NC(=S)NC2=O)cc1 194961779 BEXGPIYBWCMSAQ-SNVBAGLBSA-N 317.414 1.875 10 10 DDCE COCCN1[C@@H](C)CN(Cc2ccc(OC)cc2O)C[C@@H]1C 93479303 RLNOOQJZBJZPJQ-KBPBESRZSA-N 308.422 1.942 10 10 DDCE CCNCc1ccc(N(C)CC(=O)NC)cc1Br 233508485 CSSQAJNJKKRMTD-UHFFFAOYSA-N 314.227 1.741 10 10 DDCE N[C@H](Cc1ccc(O)c(O)c1)c1nc(-c2cncs2)no1 147379038 ZFYNDHBAMQRYCO-MRVPVSSYSA-N 304.331 1.847 10 10 DDCE Nc1c(I)ccc([C@H]2CCC(=O)N2)c1O 238579493 RWOFSSWAODBMNB-SSDOTTSWSA-N 318.114 1.530 10 10 DDCE CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2O)C[C@@]2(CCOC2)O1 377276737 IQKJQPPGYHPTMU-YVEFUNNKSA-N 321.373 1.816 10 10 DDCE Cc1nc([C@@H]2CCN(Cc3cc4c(cc3O)OC[C@@H]4O)C2)no1 905681761 ISCUTFXXDRJXQL-YGRLFVJLSA-N 317.345 1.499 10 10 DDCE C[C@H](NC(=O)CCc1cn(C)nn1)c1ccc(N(C)C)cc1 832430465 FAZFFCXFKREEFO-LBPRGKRZSA-N 301.394 1.691 10 10 DDCE FC(F)(F)c1nnn(Cc2ccc(N3CCOCC3)cc2)n1 919049386 AZGYNNQQPKAVJI-UHFFFAOYSA-N 313.283 1.577 10 10 DDCE O=C(NCc1ccccc1O)NC1C[C@@H]2CC[C@H](C1)S2(=O)=O 915524521 HFLAJYZQUBULAF-YHWZYXNKSA-N 324.402 1.300 10 10 DDCE Cc1cc(O)c(CNCCC2CS(=O)(=O)C2)c(Cl)c1 840940029 SDOWETKPIDQFJY-UHFFFAOYSA-N 303.811 1.878 10 10 DDCE CN(C)c1cc(F)c(CNCCCN2CCOC2=O)cc1F 858124378 SZMAATXYOWTVGY-UHFFFAOYSA-N 313.348 1.963 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc([C@@H]2CNC(=O)CN2)c1O 1952565001 RNOMFTCZZLZNDG-NSHDSACASA-N 307.350 1.500 10 10 DDCE COC[C@@H](OC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855224739 GWHJNWIITRUIPJ-IUODEOHRSA-N 308.378 1.052 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCN1CCCC1=O 935946281 DDIKLNWYBYVMEE-UHFFFAOYSA-N 311.378 1.507 10 10 DDCE C[C@@H]1CCN(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 775289672 YNHXAVQJHXHBAW-MRVPVSSYSA-N 301.324 1.299 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCCn3nncc3C2)c1O 886457456 AHCYJQRNBKGBDA-UHFFFAOYSA-N 304.325 1.731 10 10 DDCE NC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(N2CCCCC2)cc1 895369165 XTZLEAJARKLQDY-CVEARBPZSA-N 303.406 1.097 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CCO[C@@H](CCF)C2)cc1 692041878 WXLVAAHIAYKBDF-ZDUSSCGKSA-N 302.371 1.159 10 10 DDCE COc1cnc(F)c(C(=O)NCc2cccc(OC)c2O)c1 1150543005 GYJOWGDMTURRMS-UHFFFAOYSA-N 306.293 1.874 10 10 DDCE CS(=O)(=O)c1sccc1C(=O)N1CC[C@H](N=[N+]=[N-])C1 1912184675 GMCZCZIYADQMJR-ZETCQYMHSA-N 300.365 1.676 10 10 DDCE CS(=O)(=O)c1ccsc1CNCc1cccc(O)c1O 1912411836 SNYGDQWFANZFTK-UHFFFAOYSA-N 313.400 1.853 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(N)=O)[nH]1 1449116119 FKPKKFUPSUSLHU-UHFFFAOYSA-N 308.334 1.235 10 10 DDCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H](CO)c1ccccc1 1298376765 GPVJZXJDZZVZRD-CQSZACIVSA-N 301.342 1.832 10 10 DDCE CC(C)CN(CC(N)=O)C(=O)c1cc2cc(O)c(O)cc2s1 1540755394 HMWXMOHMASMYHE-UHFFFAOYSA-N 322.386 1.896 10 10 DDCE CN[C@H](c1ccccc1O)C1(O)CN(C(=O)OC(C)(C)C)C1 1920947140 WSJMSUUDSLRREE-CYBMUJFWSA-N 308.378 1.635 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1c[nH]nc1[C@H]1CCCO1 1622753049 DKDVCZBLYUQOTR-CQSZACIVSA-N 317.345 1.645 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1[nH]nc2nc(O)ccc12 1637993436 GOFGFEWZEDPING-DJWKRKHSSA-N 312.285 1.727 10 10 DDCE Cn1cc(-c2n[nH]cc2C(=O)NCc2cc(O)ccc2O)cn1 1644754434 WVSWFQOTTQRUAZ-UHFFFAOYSA-N 313.317 1.151 10 10 DDCE C[C@H](CC(N)=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 1583676805 QXPSWSQPHFZQPX-CHWSQXEVSA-N 319.405 1.212 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 1595145148 UUSXTZBLFJZSLT-WXHSDQCUSA-N 318.333 1.383 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC2(CC1)C[C@@H](O)CCO2 1597235144 BEJFITXWEVBLEJ-ZDUSSCGKSA-N 321.373 1.173 10 10 DDCE CCOc1cccc(CNCC(=O)N2CCC(=O)CC2)c1O 1857867016 OKMULOYAOLDNDR-UHFFFAOYSA-N 306.362 1.072 10 10 DDCE CC(C)(C)OC(=O)Nc1cnn(CC(=O)N2CC(N=[N+]=[N-])C2)c1 1985096389 QKWAFFGLNZHWFF-UHFFFAOYSA-N 321.341 1.751 10 10 DDCE CCc1cccc(CNC[C@@H](CO)NC(=O)OC(C)(C)C)c1O 1985857560 UTCLUGJZYYIUBU-AWEZNQCLSA-N 324.421 1.930 10 10 DDCE CNCc1ccc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c(Br)c1 2030272486 JDCBAMQMLFCBGU-GDNZZTSVSA-N 311.223 1.843 10 10 DDCE CNCc1ccc(N2CC(CO)(OC)C2)cc1Br 2039552157 KWLZFLBMFAEEPR-UHFFFAOYSA-N 315.211 1.366 10 10 DDCE CN1CCN(Cc2c(O)cccc2Br)[C@H](CN)C1 706806502 KKUJFVUCYASTDI-SNVBAGLBSA-N 314.227 1.229 10 10 DDCE Cc1cc(N2CC(CS(=O)(=O)C(F)F)C2)ccc1CO 2173171704 SDKDPILPZMYIEH-UHFFFAOYSA-N 305.346 1.561 10 10 DDCE CCS(=O)(CC)=NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 383737830 AHALTXZUZLIJDT-JTQLQIEISA-N 300.380 1.002 10 10 DDCE CNCc1ccc(N(C)CC[S@](C)=O)c(Br)c1 399080606 LGIXZMXYMIQLNE-KRWDZBQOSA-N 319.268 1.983 10 10 DDCE O=C(NC1CC1)c1cn(Cc2ccc(Cl)cc2O)nc1O 2070651771 KQXNHUXWYARIMA-UHFFFAOYSA-N 307.737 1.888 10 10 DDCE C[C@H]1CC[C@H](COc2nnc(=N)[nH]n2)N(C(=O)OC(C)(C)C)C1 2210643335 JGIRPNMRVVTDRJ-VHSXEESVSA-N 324.385 1.094 10 10 DDCE Oc1ccc(Br)cc1CN[C@H]1CCn2ncnc2C1 2108916964 CDGVXYXXJVCARE-NSHDSACASA-N 323.194 1.851 10 10 DDCE C[C@@H](N)Cc1cnc(SCC2(S(C)(=O)=O)CC2)s1 2222033012 DFARKUBLNGJVQP-MRVPVSSYSA-N 306.478 1.702 10 10 DDCE CCNCCCNCc1cc(Br)c(O)cc1O 2248029016 SFIJOCOVELTQLP-UHFFFAOYSA-N 303.200 1.950 10 10 DDCE CC(=O)N[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 177259255 BHAYSGGMBVLOGP-CQSZACIVSA-N 308.353 1.834 10 10 DDCE CN(c1ccc(CN)c(F)c1)[C@H]1CC[C@H](S(C)(=O)=O)C1 2361594030 XDFJZYVWZXWGCB-AAEUAGOBSA-N 300.399 1.686 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@]3(C)CCCCN3)CC2)cc1 180977989 VWAVXXYNZJEKON-SFHVURJKSA-N 317.433 1.876 10 10 DDCE CNC(=O)[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 92097951 WABJHDUANJNDIO-INIZCTEOSA-N 303.406 1.234 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)C2)c(Br)c1 235515215 PEEGLKVRHOPHBY-CQFDHEJISA-N 301.184 1.011 10 10 DDCE C[C@H]1C(=O)NCCN1c1ccc(CN)c(Br)c1F 231840004 SNEDPJIIYZERLC-ZETCQYMHSA-N 316.174 1.372 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(-c2cccc(C)c2)c1C 808493835 PNHRJDVBQJWOLI-UHFFFAOYSA-N 300.314 1.804 10 10 DDCE COCCOc1ccc(C(=O)OCC(=O)C(C)=O)c(Cl)c1 808537929 WAROWYPTKYGBJG-UHFFFAOYSA-N 314.721 1.680 10 10 DDCE Cc1cc(N(C)C)ccc1CNC[C@]1(OCCO)CCOC1 826940296 CDQWZKFRDLAURI-QGZVFWFLSA-N 308.422 1.319 10 10 DDCE Cc1cc(N(C)C)ccc1CN1C[C@@H]2COCC[C@]2(C(=O)O)C1 901950547 YORXPTRQHYRPCS-QAPCUYQASA-N 318.417 1.984 10 10 DDCE O=S1(=O)CCN(c2ccc(CNCc3ccoc3)cc2)CC1 733330560 BSNDZCKVMLHYFN-UHFFFAOYSA-N 320.414 1.804 10 10 DDCE CN(C)C(=O)COC1CN(C/C=C\c2ccc(N(C)C)cc2)C1 839137976 GNURUFZHIZKOBQ-WAYWQWQTSA-N 317.433 1.555 10 10 DDCE C[C@H]1CCn2ncc(C(=O)NCCc3ccc(O)c(O)c3)c2C1 843831264 DFPNIJJPBCOAEC-NSHDSACASA-N 315.373 1.849 10 10 DDCE N=C(NCCCSc1nccs1)NC[C@@H]1CCCO1 849008272 DFUNWDOLAOSHRW-JTQLQIEISA-N 300.453 1.918 10 10 DDCE O=C(NCc1ccccc1O)NC[C@H]1CN(C2CC2)C(=O)O1 847302080 JAGNVCXSIDIDIU-LBPRGKRZSA-N 305.334 1.175 10 10 DDCE CN(C)c1ccc(/C=C\CNCCCN2CCNCC2)cc1 841031216 YVTJGXGMJNKNQT-HYXAFXHYSA-N 302.466 1.651 10 10 DDCE COc1ccc(CNC(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)c(O)c1 926668185 WLUCCSUQILCOGH-KYOSRNDESA-N 322.361 1.004 10 10 DDCE CCN(CCC(N)=O)C(=O)c1cc(C)n(-c2ccccn2)c1C 928823838 MMBWTUNHSJIJMM-UHFFFAOYSA-N 314.389 1.827 10 10 DDCE Cc1ccc(C(=O)NC[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c(O)c1O 924273330 SXTAACDRYHZPGY-NVGCLXPQSA-N 321.373 1.863 10 10 DDCE Nc1ccc(CC(=O)N2CCO[C@@H](CC(F)(F)F)C2)cc1 852921158 FBMCEEUOVVOSMU-LBPRGKRZSA-N 302.296 1.991 10 10 DDCE O=[N+]([O-])c1cc(Cl)cc(CN2CCOC3(CNC3)C2)c1O 853248913 LTDSOZAOJJKRHO-UHFFFAOYSA-N 313.741 1.128 10 10 DDCE COc1ccc(N(CC(=O)O)CC(=O)NCCCCF)cc1 853008746 YEUDSAAQRZFIFY-UHFFFAOYSA-N 312.341 1.452 10 10 DDCE Cc1nnc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)o1 853815223 MZYXHIHIJQDNPM-UHFFFAOYSA-N 319.277 1.254 10 10 DDCE CNc1cnc(C(=O)NCCCSc2nccs2)cn1 859352835 ZDQBRKSDGDFYLW-UHFFFAOYSA-N 309.420 1.887 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H](N)CCSC)C2)cc1 852843680 DUIDLBOIWZPYOB-SWLSCSKDSA-N 323.462 1.471 10 10 DDCE CC1(O)CC(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 856207329 FHEXKWQABCQTKB-UHFFFAOYSA-N 318.417 1.425 10 10 DDCE COC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCOCC1 855290987 IGICCMZRRDHVDN-LYKUJDHUSA-N 321.373 1.669 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@H](C(=O)O)C3CC3)ccc21 852946686 ZCEWDJIDWMJHOK-OAHLLOKOSA-N 302.374 1.796 10 10 DDCE N[C@@H](c1ccc(OCc2ccccc2)cc1O)[C@@H](O)C(=O)O 1952191217 SHHNETUHYDPNSL-LSDHHAIUSA-N 303.314 1.417 10 10 DDCE COc1cc(Br)cc(CN2CC(=O)N(C)C2)c1O 765637086 YWWVBYUPJWBQNJ-UHFFFAOYSA-N 315.167 1.395 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@]12C(=O)Nc1ccccc12 1137443094 BSASFFRPPNGUCV-KZULUSFZSA-N 324.336 1.624 10 10 DDCE COc1ccc(CNC(=O)/C=C\c2cncc(O)c2)c(O)c1 794391024 STVQBYKGZFCFBS-DJWKRKHSSA-N 300.314 1.831 10 10 DDCE CCO[C@@H]1COCC[C@H]1CC(=O)NCc1c(O)cccc1O 1156885262 BCTJVVIBCUQAQX-XHDPSFHLSA-N 309.362 1.546 10 10 DDCE Cc1ccc(C(=O)NCC(=O)NCc2cccc(O)c2O)s1 1303192859 BWHUUKIQVRMKHD-UHFFFAOYSA-N 320.370 1.514 10 10 DDCE CC(C)CNC(=O)CNC(=O)c1cc2cc(O)c(O)cc2s1 1334401158 AZAOFKPPUWDJNF-UHFFFAOYSA-N 322.386 1.815 10 10 DDCE COc1cc(CN(C)CCC(=O)O)ccc1N1CCNCC1 212639288 YISGDAROJPPTQZ-UHFFFAOYSA-N 307.394 1.011 10 10 DDCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2nnn(C)n2)c1 1453670992 HZLGXCQXPNINSN-UHFFFAOYSA-N 324.344 1.682 10 10 DDCE COc1cccc(O)c1C(=O)NCCc1ccc(O)c(O)c1 1465982252 ZDDQDMXYOLHBKJ-UHFFFAOYSA-N 303.314 1.785 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)C2=CCCC2)cc1C 1482722441 PLTOAWVYCBCPNI-MRXNPFEDSA-N 318.417 1.681 10 10 DDCE CC(=O)NCCC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1718413247 YBZGPAGDVGSMJG-JTQLQIEISA-N 319.365 1.884 10 10 DDCE COc1ccc(CN[C@H](CNC(=O)CC(N)=O)C(C)C)cc1C 1568446530 XOHMCBZYALALSY-CQSZACIVSA-N 321.421 1.109 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)C=C2CCC2)cc1C 1571425581 GSXSHTXWOJXLKU-INIZCTEOSA-N 318.417 1.681 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCC(=O)CC2)c([N+](=O)[O-])c1 1772821541 AHQSNLHPXBYPQK-HYXAFXHYSA-N 304.302 1.950 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NCc1ccc(O)c(O)c1O 232503624 NHLUPMPZCPFAJP-UWVGGRQHSA-N 310.350 1.559 10 10 DDCE C[C@@H]1CO[C@H](CO)CN1c1ccc(CN)c(C(F)(F)F)c1 167011899 WETVDIXURUSTDZ-SKDRFNHKSA-N 304.312 1.750 10 10 DDCE CCNCc1ccc(N(C)CC(=O)NC)cc1C(F)(F)F 167356823 XCJJGGNVILULNS-UHFFFAOYSA-N 303.328 1.997 10 10 DDCE Cn1nc(Br)cc1NC(=O)c1cccc(O)c1O 1148212773 LQRGZDWDXMDQFI-UHFFFAOYSA-N 312.123 1.846 10 10 DDCE CN[C@@H](c1ccc(N(C)C)cc1)[C@H](O)CNC(=O)OC(C)(C)C 1977944968 LBOMUQBKNUEBGS-CABCVRRESA-N 323.437 1.899 10 10 DDCE C[C@H](c1ccc(F)cc1O)N(C)CCN(C)S(C)(=O)=O 2146943655 NVGBWAIMYOUBDZ-SNVBAGLBSA-N 304.387 1.416 10 10 DDCE N[C@@H]1[C@@H]2CN(Cc3cc(Br)cc(F)c3O)C[C@@H]21 2000280208 UTPCGDVMTYXYJC-DOFRTFSJSA-N 301.159 1.683 10 10 DDCE NCc1ccc(N2CCCNC(=O)C(F)(F)C2)cc1Cl 2152789216 HOERVNBKUHNFIE-UHFFFAOYSA-N 303.740 1.760 10 10 DDCE CCC[C@@H](NCc1cccc(Br)c1O)C(N)=O 2013573207 XWLBYIWJAFQQNM-SNVBAGLBSA-N 301.184 1.898 10 10 DDCE CS(=O)(=O)[C@H]1CCCN(c2ccc(CN)c(F)c2F)C1 312896495 XRJWKYWFLVQCQF-JTQLQIEISA-N 304.362 1.437 10 10 DDCE CNCc1ccc(N(C)Cc2nncn2C)cc1Br 381961362 DSJBUECVEYWNLF-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE COc1cc(S(=O)(=O)Nc2ccc(O)cc2C)sn1 717670739 BYLWLTVZJDHXBM-UHFFFAOYSA-N 300.361 1.967 10 10 DDCE CS(=O)(=O)CCN(c1ccc(CN)c(Cl)c1)C1CC1 2113817479 DMSSORBSYAWOAF-UHFFFAOYSA-N 302.827 1.812 10 10 DDCE Cn1nnc2c1CCN(c1ccc(CN)cc1Br)C2 2114037845 DHBJWBLTXDENHU-UHFFFAOYSA-N 322.210 1.599 10 10 DDCE NCc1cc(F)c(N2C[C@@H](O)C[C@H](F)C2)cc1Br 2219180550 LYPAIXPCVPFCIW-IUCAKERBSA-N 321.165 1.956 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@H]2CC[C@@H]3[C@H]2C3(F)F)cc1 2354369170 QOSYXFPRVCVRPU-GRYCIOLGSA-N 302.346 1.732 10 10 DDCE COc1ccc([N+](=O)[O-])cc1NC=C1C(=O)OC(C)(C)OC1=O 100247269 QQUSTNWVKCLXQV-UHFFFAOYSA-N 322.273 1.735 10 10 DDCE CC(C)[C@@H]1SC[C@@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 111427034 KBAQWEVASITCLY-UFBFGSQYSA-N 312.347 1.117 10 10 DDCE CN(Nc1nc2c(s1)[C@H]1CC[C@@H](C2)N1)S(=O)(=O)C1CC1 2365278221 MLCHGTSVUWTEGX-IONNQARKSA-N 314.436 1.243 10 10 DDCE Cc1cc(Br)c(O)c(CNCC[S@](C)=O)c1 134750228 FVMQKOXKDXAFOR-MRXNPFEDSA-N 306.225 1.931 10 10 DDCE CC(=O)C(=O)COC(=O)c1sc(N2CCCC2)nc1Cl 808533525 PMBKGWNQCKGDCW-UHFFFAOYSA-N 316.766 1.712 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Nc3ccncn3)C2)cc1 822759066 HZALLQLEFQACCZ-LBPRGKRZSA-N 313.361 1.886 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 845446822 FHQNASSUYRYETR-OKILXGFUSA-N 319.405 1.968 10 10 DDCE CN1CCN(c2ccc(CN3C[C@@H]4C[C@H]3C[S@]4=O)cc2)CC1 846102414 FWXIJHHONSPNJD-PNLZDCPESA-N 319.474 1.144 10 10 DDCE COCc1cc(NC(=O)NCCc2ccc(N)cc2)ncn1 841153503 PNBLEOGMFXWEFZ-UHFFFAOYSA-N 301.350 1.569 10 10 DDCE C[C@H]1CCNC[C@@H]1NC(=O)NCCCSc1nccs1 841856720 KIOJCFWYDGXZAU-QWRGUYRKSA-N 314.480 1.923 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@H]1C[C@H]2CCCCN2C1=O 922815400 IVXZSJSGDQUFDH-MFKMUULPSA-N 321.352 1.484 10 10 DDCE COC(=O)CCN(CC(=O)O)Cc1ccc(N(C)C)c(C)c1 923265493 KFXILUJXALGXGV-UHFFFAOYSA-N 308.378 1.511 10 10 DDCE O=S(=O)(CC1CCOCC1)NCc1c(O)cccc1F 921452008 AKBUXYFTSGEZNM-UHFFFAOYSA-N 303.355 1.377 10 10 DDCE COc1cccc(CNC(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)c1O 926657863 PVQZKFFZZOJFDR-BZPMIXESSA-N 322.361 1.004 10 10 DDCE CC[C@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC 852346288 CYHKKAJFFKOCTM-DZGCQCFKSA-N 321.421 1.998 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](O)C(C)C)C2)cc1 854299892 LTKPBNUDJNCWHU-CJNGLKHVSA-N 321.421 1.590 10 10 DDCE CO[C@@H](C)C(=O)NCc1cc(NC(=O)[C@@H](C)OC)ccc1O 923123405 LQFHCOFEMCZCOL-VHSXEESVSA-N 310.350 1.017 10 10 DDCE CCn1nncc1COc1ccc(N(C)C)c(C(=O)OC)c1 865395335 OVLCVJXBLGQSQA-UHFFFAOYSA-N 304.350 1.730 10 10 DDCE COC(=O)c1cn(CN2CCCc3cc(OC)ccc32)nn1 766340548 MXUQXLXBOOVWKI-UHFFFAOYSA-N 302.334 1.484 10 10 DDCE O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)COB2O 863871312 ITCTZVGGJGFTQB-UHFFFAOYSA-N 322.173 1.757 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 1117970975 GPRVNFJGXMTGBK-DLBZAZTESA-N 323.396 1.600 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCC[C@@](O)(CN(C)C)C2)c1O 878867500 GTZXSFNAXDPSRL-QGZVFWFLSA-N 324.396 1.622 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCC(=O)NCc1ccco1 779480075 RZVCWCYMPHNMOM-XQRVVYSFSA-N 316.313 1.137 10 10 DDCE O=S1(=O)C[C@H]2CCN(Cc3cc(F)cc(F)c3O)C[C@H]2C1 895470326 JWLSTWWKRRKTLZ-KOLCDFICSA-N 317.357 1.537 10 10 DDCE OCCOCC1(O)CCN(Cc2cccc(Cl)c2O)CC1 895829533 JKRRRIVVILWUFO-UHFFFAOYSA-N 315.797 1.381 10 10 DDCE COC(=O)N[C@H]1CCN(Cc2cc(F)c(N(C)C)cc2F)C1 895845558 ZLROKOTZJWHCDC-NSHDSACASA-N 313.348 1.961 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1c[nH]nc1[C@@H]1CCCO1 1142537790 TWZSJWKKMCHVFO-ZDUSSCGKSA-N 303.318 1.602 10 10 DDCE COc1cc(Cl)cc(CNCCOC(=O)N(C)C)c1O 689033763 PNGGFBRRCNWEFL-UHFFFAOYSA-N 302.758 1.842 10 10 DDCE CN(C[C@@H]1CCCCS1(=O)=O)c1ccc(CN)cc1F 694103193 ONMWHLHFCVOSFN-LBPRGKRZSA-N 300.399 1.688 10 10 DDCE COc1cccc(C[C@H](O)C(=O)NCc2c(O)cccc2F)c1 1178413217 OXXHOMYRWKVBOW-INIZCTEOSA-N 319.332 1.760 10 10 DDCE CCOCc1cc(CN[C@@H](CN(C)C)C(=O)O)ccc1OC 1332031965 YLTCIKSNKPGYQF-AWEZNQCLSA-N 310.394 1.336 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC2CC(CNCCF)C2)cc1 1275332381 WZAYONYRMMCYHZ-UHFFFAOYSA-N 321.356 1.917 10 10 DDCE CC(C)(C)N1C[C@@H](C(=O)NCc2c(O)cccc2O)CC1=O 1456235196 MFUHGVPJRFWUSX-JTQLQIEISA-N 306.362 1.361 10 10 DDCE Cn1ccc(-c2cc(C(=O)NCc3c(O)cccc3O)n[nH]2)c1 1472063384 JOTNZZZAVJUWHY-UHFFFAOYSA-N 312.329 1.756 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)C2=CCCC2)cc1C 1482722440 PLTOAWVYCBCPNI-INIZCTEOSA-N 318.417 1.681 10 10 DDCE CCN[C@@H](c1ccccc1O)[C@H](O)CNC(=O)OC(C)(C)C 1922497163 XVXNQVXNEWPMIX-KGLIPLIRSA-N 310.394 1.928 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)C(C)(F)F)cc1C 1716077802 XISUQTMVKWMSTM-GFCCVEGCSA-N 316.348 1.226 10 10 DDCE CCN(C(=O)CNC(=O)c1cccc(O)c1O)c1ccccc1 1638389551 CRUVYIPVGHHOOY-UHFFFAOYSA-N 314.341 1.881 10 10 DDCE COc1ccc(CN[C@@]2(CO)CCCN(C(C)=O)C2)cc1C 1570276824 OQEYIVURBLIUSG-KRWDZBQOSA-N 306.406 1.467 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)c1ccc(F)cc1F 1641110525 IAABCKOISGPMDJ-CYBMUJFWSA-N 323.295 1.768 10 10 DDCE C[C@H](C(=O)NCc1cc(O)ccc1O)N(C)CC(F)(F)F 1644753819 KQIUWPUNMWSABX-MRVPVSSYSA-N 306.284 1.597 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN2C(C)=O)c1 157858510 GDLLSSCJEKDPDM-QMTHXVAHSA-N 306.362 1.589 10 10 DDCE O=C1Cc2cc(N3CCNCC3)ccc2N1CCN1CCCC1 259555100 WNCVHRMUWLYFKB-UHFFFAOYSA-N 314.433 1.081 10 10 DDCE NCc1ccc(N2CC[C@@H](O)[C@H](F)C2)cc1Br 1941017801 WMUMEJOJCRJLLT-VXGBXAGGSA-N 303.175 1.817 10 10 DDCE Oc1ccc(Br)cc1CN[C@@H]1CCn2nnnc2C1 1875666952 OPSLTBNKGVFZRZ-SNVBAGLBSA-N 324.182 1.246 10 10 DDCE COc1ccc(Br)c(CN[C@H]2C[C@H](O)C2)c1O 1970597505 YKLDYKDEJNZSSZ-ZKCHVHJHSA-N 302.168 1.776 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)cc2)[C@@H]2COC[C@H]12 1977952767 TYBLDHXPKKLIAF-RBSFLKMASA-N 319.405 1.997 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980376768 IRKURAJPQWLNQC-MPLKPFFPSA-N 322.405 1.507 10 10 DDCE C[C@@H]1CCN(c2ccc(CN)cc2Br)[C@H]1C(N)=O 2029785841 IBPALTNBIFXMRK-PRHODGIISA-N 312.211 1.608 10 10 DDCE CC[C@@H](c1cc(Br)ccc1O)N1CC(O)(CN)C1 2037222968 HDOUZRDIYARNON-NSHDSACASA-N 315.211 1.611 10 10 DDCE CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1c(O)cccc1F 2160771397 YOXLSCOQTRHGCP-JSGCOSHPSA-N 301.383 1.977 10 10 DDCE CCCN(CCS(C)(=O)=O)c1c(F)cc(CN)cc1F 2170153066 OZMCROPZRDYGJV-UHFFFAOYSA-N 306.378 1.685 10 10 DDCE COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 2183614920 AGIPBEPZRWDQTE-VHSXEESVSA-N 304.372 1.148 10 10 DDCE CCNC(=O)C1CN(c2ccc(CN)cc2Br)C1 2049067953 LOXNWQCWNXTDCT-UHFFFAOYSA-N 312.211 1.480 10 10 DDCE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1c1ccc(CN)c(Cl)c1 2113894822 PSXASTPAKZDHPZ-NXEZZACHSA-N 302.827 1.811 10 10 DDCE CCc1nn2c(=O)cc(COc3ccc(N)cc3)nc2s1 38055779 NYOQHIZGQVPHGC-UHFFFAOYSA-N 302.359 1.875 10 10 DDCE C[C@@H](c1ccccc1O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 126384699 MIYZKUGCZVYDAW-QWRGUYRKSA-N 313.375 1.027 10 10 DDCE Cc1cc([N+](=O)[O-])ccc1C=C1C(=O)N(C)C(=O)N(C)C1=O 183936695 UZNMXDOLIFDFPW-UHFFFAOYSA-N 303.274 1.337 10 10 DDCE CN(CC1CC(O)C1)C(=O)NCc1ccc2c(c1)CCCN2C 190415227 MHDANIPWMKYNGZ-UHFFFAOYSA-N 317.433 1.981 10 10 DDCE COc1ccc(N2CCN(Cc3nnc(C)n3C)CC2)cc1 47541000 RDTYTJPJMNVDBE-UHFFFAOYSA-N 301.394 1.454 10 10 DDCE COC(=O)[C@@](C)(N)c1ccc(I)cc1O 238381017 ARBMMDDAKPWOHW-JTQLQIEISA-N 321.114 1.344 10 10 DDCE COc1cccc(CNC(=O)N[C@H]2CCNC23CCC3)c1O 529355842 DNVCKVGTMUNYBD-ZDUSSCGKSA-N 305.378 1.485 10 10 DDCE COC(=O)[C@H](C)Sc1ccccc1C(=O)OCC(=O)C(C)=O 808507088 YQCHGXYWESAXSF-JTQLQIEISA-N 324.354 1.655 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@H]3[C@@H](C2)C3(F)F)cc1 2163996672 DMCICAVNIPFFKE-CNDDSTCGSA-N 302.346 1.732 10 10 DDCE CC(=O)C(=O)COC(=O)C1CCN(Cc2ccccc2)CC1 808520155 MUMUVBOYHQJWTH-UHFFFAOYSA-N 303.358 1.600 10 10 DDCE CC(=O)[C@@](C)(O)CN(C)Cc1ccc(N2CCOCC2)cc1 827336393 GIJVJMUJXCNDKM-KRWDZBQOSA-N 306.406 1.295 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](O)[C@@H](O)C1 827611118 MJFBVQMMJGLOPQ-KGLIPLIRSA-N 320.414 1.723 10 10 DDCE CC[S@](=O)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 735108698 XJELATIKIMWNIO-NRFANRHFSA-N 315.414 1.460 10 10 DDCE CC(C)N1CCN(CCC(=O)N[C@@H](C)c2ccccc2O)CC1 913763339 CBQLDRZBXFRBNH-HNNXBMFYSA-N 319.449 1.986 10 10 DDCE COc1ccc(N2CCC(NCC[C@]3(O)CCOC3)CC2)cc1 846048314 FZINLHREQGHSCT-SFHVURJKSA-N 320.433 1.795 10 10 DDCE CO[C@@H]1CN(Cc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C 1895762707 AMUAHDRVNZSLLC-LSDHHAIUSA-N 321.421 1.993 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2COCCN2C)c1 858523028 LIBBXPYWEIBINV-AAEUAGOBSA-N 308.378 1.160 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cn3ccnc3C)C2)cc1 855225720 PWDMJPNCEPFWJQ-AWEZNQCLSA-N 314.389 1.595 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)C(=O)N2CC[C@H]2C)cc1 1336543368 BXXUVVUPMOSQTP-CYBMUJFWSA-N 319.405 1.211 10 10 DDCE O=C(c1cccc(O)c1O)N1CC[C@](CO)(C(F)(F)F)C1 899609657 VYAUIAJZELJLQP-LBPRGKRZSA-N 305.252 1.485 10 10 DDCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)Nc1ccccc1 1136738421 MDHRWNPASFIDTP-LLVKDONJSA-N 314.341 1.784 10 10 DDCE CNCc1ccc(N(C)[C@@H](C)C(N)=O)c(Br)c1 711126541 HXDKKQFCOPOVHU-QMMMGPOBSA-N 300.200 1.479 10 10 DDCE COC(=O)COc1ccc(N(C)C[C@@H]2C[C@@H]3COC[C@H]3O2)cc1 1334048410 GLBKQANGGRNJML-UHOFOFEASA-N 321.373 1.479 10 10 DDCE CO[C@@H]1CC[C@H](C)N(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1348678497 RRZSREUDVFABNO-WCQYABFASA-N 318.373 1.260 10 10 DDCE O=C(Nc1c(-c2ccccn2)nc2ccccn12)[C@@H]1C[C@H]1[N+](=O)[O-] 1355288072 OHQMYRJGRDXTGT-ZYHUDNBSSA-N 323.312 2.000 10 10 DDCE Cc1cc(O)nc(CNC(=O)/C=C\c2ccc(O)c(O)c2)n1 1452741247 WWIFXTKXKHLPMJ-HYXAFXHYSA-N 301.302 1.231 10 10 DDCE CC(C)c1noc(CCC(=O)NCc2cccc(O)c2O)n1 1455320931 VMNLQAMXCXBEFK-UHFFFAOYSA-N 305.334 1.853 10 10 DDCE COc1cc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2)cc(O)c1O 1535973504 CDYCFNOKFQLPGS-NSHDSACASA-N 324.377 1.988 10 10 DDCE C[C@H](NC(=O)/C=C\c1ccc(C(N)=O)o1)c1ccccc1O 1471195569 ZVGAADWJZKTVHK-RNKPRXRFSA-N 300.314 1.975 10 10 DDCE COC(=O)c1cc(C(=O)NCc2c(O)cccc2F)ccn1 1638863250 LGNQNIYXCMEBKX-UHFFFAOYSA-N 304.277 1.643 10 10 DDCE COc1cccc(CNC(=O)c2cncc3ncn(C)c23)c1O 1631540559 WHMFIGPFAQAUCX-UHFFFAOYSA-N 312.329 1.613 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cccc2c1NC(=O)CO2 1588163231 CMPNQDCUVDHIDK-UHFFFAOYSA-N 314.297 1.610 10 10 DDCE COC1CCN(c2ccc(CN3C[C@@H](O)[C@H](CO)C3)cc2)CC1 1654688283 QIAFTGXOLLENNT-MAUKXSAKSA-N 320.433 1.087 10 10 DDCE CC1=NN(c2ccccc2)C(=O)/C1=C(\C)NN1CCN(C)CC1 17052480 QUADOTUFXCAKRG-DTQAZKPQSA-N 313.405 1.435 10 10 DDCE CCOC(=O)c1cccc(N)c1N[C@@H]1CCCS(=O)(=O)C1 161174899 BUHIVNCJBXMGIB-SNVBAGLBSA-N 312.391 1.435 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N1CCC(N2CCCC2)CC1 1866303326 PYGQZWWRLTZUJX-UHFFFAOYSA-N 306.362 1.504 10 10 DDCE CC(=O)C(=O)[C@]1(O)CCN(Cc2ccccc2)CC12CCC2 1934056602 GFOCIONIJANGFE-GOSISDBHSA-N 301.386 1.952 10 10 DDCE C[C@H](NC[C@H]1CCS(=O)(=O)N1C)c1cc(F)ccc1O 1967490828 RWWRXFKSJLYBLG-GXSJLCMTSA-N 302.371 1.216 10 10 DDCE CO[C@H]1CN(C)C[C@@H]1NCc1cc(Br)ccc1O 2034334405 LFAKOJCJPWVXTR-AAEUAGOBSA-N 315.211 1.573 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCN2CCOC[C@H]12 2065141037 SWPLUBRFAYPWHQ-HZPDHXFCSA-N 318.417 1.852 10 10 DDCE CCS(=O)(=O)[C@@H]1CCN(c2ccc([C@H](C)N)cc2F)C1 2179892599 HURISULVODAMKF-CMPLNLGQSA-N 300.399 1.859 10 10 DDCE CS(=O)(=O)[C@H]1CCCN(c2cc(Cl)c(CN)cc2F)C1 2177376701 HVUADWMRRFUYCC-JTQLQIEISA-N 320.817 1.951 10 10 DDCE OCc1ccc(N2CC(n3ccnn3)C2)cc1Br 2050818951 VNOJRFVEFWJQLE-UHFFFAOYSA-N 309.167 1.594 10 10 DDCE CC1([C@H]2CCCN(C(=O)c3cc(O)nc(O)c3)C2)OCCO1 2089602060 XNCOBVPAHBSKJD-NSHDSACASA-N 308.334 1.108 10 10 DDCE CC(C)(C)OC(=O)N1CCC[C@H](CCOc2nnc(=N)[nH]n2)C1 2210655516 FXGYAQVIUWAEJE-SNVBAGLBSA-N 324.385 1.095 10 10 DDCE COc1cc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)ccc1CO 2204545593 REXBEVFRQLMZQP-QWRGUYRKSA-N 301.408 1.445 10 10 DDCE Cc1cc([C@H](C)O)ccc1N1CCSC[C@@H]1S(C)(=O)=O 2240827568 AGERAZZARPWJJE-FZMZJTMJSA-N 315.460 1.972 10 10 DDCE CSc1ncc(CNCCS(=O)(=O)C(F)(F)F)s1 2257012097 FBEIFHIVOPWZID-UHFFFAOYSA-N 320.383 1.889 10 10 DDCE C[C@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CN)c(F)c1 2279333539 INBDZYXNJIGZBH-GXFFZTMASA-N 300.399 1.686 10 10 DDCE Cc1ccc(CN(CCO)CC(=O)O)c(O)c1Br 2327628536 IAFIAXUEMJUASM-UHFFFAOYSA-N 318.167 1.342 10 10 DDCE CN(Cc1cccnc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 301700949 SMYSQUBDHBHXQD-UHFFFAOYSA-N 314.301 1.957 10 10 DDCE C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc2c(c1)CCCN2C 135553754 ZHMMZIQWUCNHIH-WBMJQRKESA-N 324.446 1.666 10 10 DDCE COc1ccc(N2CCN(C(=O)c3ccnnc3)CC2)cc1F 132708725 PNCQQMNQILOPCV-UHFFFAOYSA-N 316.336 1.587 10 10 DDCE C[C@H](CO)NC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 135613675 VTIVMKXDSVVVMO-SNVBAGLBSA-N 309.321 1.573 10 10 DDCE CCOc1ccc(O)c(CN2CCN([C@H](CC)CO)CC2)c1 93740316 BSYYIGZWZOOYQO-OAHLLOKOSA-N 308.422 1.679 10 10 DDCE Cc1c(N=Nc2c(N)n[nH]c2O)c(=O)n(-c2ccccc2)n1C 254876654 CIXZHJZEYBOFMS-UHFFFAOYSA-N 313.321 1.911 10 10 DDCE O=C(NCc1cc(Br)ccc1O)c1cccc[n+]1[O-] 804732747 ANHNWHRRXMBIBT-UHFFFAOYSA-N 323.146 1.718 10 10 DDCE COc1ccc(N2CCN(CCN[C@H](C)C[C@@H](C)N)CC2)cc1 817892764 CEKVLQVTVZHGRP-HZPDHXFCSA-N 320.481 1.533 10 10 DDCE COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cscn2)c1 827194396 MHHISUDLDYYFMV-QMMMGPOBSA-N 314.388 1.897 10 10 DDCE COC(=O)c1cc(OCCO[C@@H]2CCOC2)ccc1N(C)C 918651381 LWKYTHPUPJRRIE-CYBMUJFWSA-N 309.362 1.724 10 10 DDCE FC1(F)CCNC[C@H]1NCc1ccc(N2CCOCC2)cc1 841075786 WUQSZTUXUDHZNA-OAHLLOKOSA-N 311.376 1.610 10 10 DDCE CCO[C@H](CNC(=O)N(C)Cc1ccccc1O)CN(C)C 926832003 VBDBPFABFZVJPX-CQSZACIVSA-N 309.410 1.500 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCC[C@@H](C)[S@](C)=O)c1 756757453 CEDKGFDJKAWFOM-NNOLRYQLSA-N 313.419 1.987 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1csc(CCC(F)(F)F)n1 869626003 NWABFCDVWJCPLL-UHFFFAOYSA-N 323.292 1.882 10 10 DDCE COC[C@](C)(CO)NC(=O)c1cc(C)n(-c2ccccn2)c1C 768456415 NWVCOOGOQJUCNN-KRWDZBQOSA-N 317.389 1.616 10 10 DDCE NC(=O)C[C@@H]1CN(Cc2c(O)ccc3ccccc23)CCO1 862534793 HDRPTOGKWYCNST-CYBMUJFWSA-N 300.358 1.622 10 10 DDCE CN(CCC(=O)NCc1ccc(O)c(O)c1)c1ccncc1 779534065 DGUJQGSTAJUIMW-UHFFFAOYSA-N 301.346 1.636 10 10 DDCE CCOC(=O)[C@@H](NC(=O)c1cccc(O)c1O)[C@H]1CCCOC1 1138143190 CVUSMGBEYJYFDE-GWCFXTLKSA-N 323.345 1.186 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 1307106011 MAIMJWWDNVKJMW-OWQIOCHFSA-N 320.345 1.988 10 10 DDCE NC(=O)[C@H]1OCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O 2117464753 AXZVJYAMXPOADU-ONGXEEELSA-N 305.161 1.431 10 10 DDCE CNCc1ccc(N2CC[C@H](S(C)(=O)=O)C2)c(Cl)c1 2123324638 USPJFSPUFCFEGV-NSHDSACASA-N 302.827 1.683 10 10 DDCE CN(CCN=[N+]=[N-])S(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 1912191175 ODNAMECRZNCHOM-UHFFFAOYSA-N 301.284 1.231 10 10 DDCE CC(C)C(=O)NCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1284498643 XSMBKEOZOYHDLB-UHFFFAOYSA-N 319.365 1.693 10 10 DDCE CN(C)C(=O)/C=C/C(=O)NCc1ccc(N2CCCC2)cc1 1464077596 ZWHUNQWBTJGPDL-MDZDMXLPSA-N 301.390 1.547 10 10 DDCE O=C(NCc1cccc(O)c1O)c1n[nH]cc1Br 1471642666 XIKJKELYGCYVAW-UHFFFAOYSA-N 312.123 1.513 10 10 DDCE COc1cc(N2CCN3C(=O)CC[C@H]3C2)c([N+](=O)[O-])cc1OC 1472732520 OPMGBUKCHPSKHS-JTQLQIEISA-N 321.333 1.423 10 10 DDCE CN[C@H](c1ccccc1O)[C@H](O)C1CN(C(=O)OC(C)(C)C)C1 1920611770 XKDWDTJRSDOCQF-HUUCEWRRSA-N 322.405 1.881 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1nc(C2CC2)n[nH]1 1633817701 AFRADKHEDDJYPI-SECBINFHSA-N 316.361 1.383 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)CC2(O)CCC2)cc1C 1491447324 JRCATDJZXPWFOT-AWEZNQCLSA-N 320.433 1.903 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cc(Cn2cccn2)on1 1647289451 DXEOAEMGKBAQDO-UHFFFAOYSA-N 314.301 1.261 10 10 DDCE CO[C@]12CCC[C@@]1(C(=O)NCc1c(O)cccc1O)CCO2 1597574222 KRACUTXWFIBUFV-HOTGVXAUSA-N 307.346 1.647 10 10 DDCE CC(C)(C)OC(=O)N(CCO)CC(=O)NCCCN=[N+]=[N-] 1885558016 YEMSCLKCSCELQQ-UHFFFAOYSA-N 301.347 1.032 10 10 DDCE C[C@H]1CN(c2ccc(CN)cc2Br)CC[S@@]1=O 2004537033 DIFMEBYECAEMPI-XYZCENFISA-N 317.252 1.865 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3C[C@H](O)[C@H]3C2)cc1Br 2033969665 AUQCGIYZFKPYRA-RVBZMBCESA-N 315.186 1.864 10 10 DDCE NC[C@@H]1CCCN1C(=O)C=Cc1ccc(N2CCOCC2)cc1 2053959900 ACYRSRKVJSIBPV-KRWDZBQOSA-N 315.417 1.486 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCC34CCCN3CCC4)c2n1 2062576233 BTODPKURMQXIMM-UHFFFAOYSA-N 315.377 1.102 10 10 DDCE CCN[C@@H](c1ccccc1O)[C@@H](O)C(C)(C)S(C)(=O)=O 2166704805 LXMNVASHCFABJQ-QWHCGFSZSA-N 301.408 1.227 10 10 DDCE O=C(O)c1cc(O)ccc1NS(=O)(=O)[C@H]1CCC[C@H]1F 2175559182 JUNCGZATFHBVDS-KOLCDFICSA-N 303.311 1.723 10 10 DDCE COc1cc(Cl)cc(CN2CC[C@@H](N)[C@H](CO)C2)c1O 2178902258 DWDNTHUZRASYJB-CMPLNLGQSA-N 300.786 1.196 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1c1ccc2c(c1)CC[C@@H]2N 2184740656 XNDXXUTYJPQXNS-KBPBESRZSA-N 312.460 1.557 10 10 DDCE C[C@@H]1CNC(=O)CN1c1ccc(CN)c(Br)c1F 2060851589 OYCYTABUWFEVNU-SSDOTTSWSA-N 316.174 1.372 10 10 DDCE O=S(=O)(C(F)F)C1CN(c2ccc3c(c2)CC[C@H]3O)C1 2206685602 VOXWWBFSKOLMDJ-GFCCVEGCSA-N 303.330 1.492 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@H]2CC[C@H]2N)s1 2256950644 XDCWQPIMNGPJSG-VXNVDRBHSA-N 307.466 1.022 10 10 DDCE CCN=c1cc(C(=O)NCc2cnc(SC)s2)nc[nH]1 2284708542 BIYUQDZLLUZFLC-UHFFFAOYSA-N 309.420 1.439 10 10 DDCE COc1cc(OC)c(N2C[C@H](OC)C[C@H]2CO)cc1Cl 2285852987 DPNDQPGKWPHMNC-VHSXEESVSA-N 301.770 1.943 10 10 DDCE Cc1cc(O)cc(=O)n1[C@@H](C)C(=O)N(C)Cc1ccccc1O 175853618 WEVSPLJOQAHXDL-LBPRGKRZSA-N 316.357 1.788 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)NC(=O)c1ccccc1N 170245358 BBNXRLQNOMTGFV-SNVBAGLBSA-N 314.341 1.815 10 10 DDCE CO[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[C@H]1C 302536222 GMUVKJBYCLJGDY-OTYXRUKQSA-N 321.333 1.787 10 10 DDCE C/C=C/C[C@@H](C)[C@@H](O)[C@H](C(=O)C(=O)[C@@H](NC)C(C)C)N(C)C 77286308 NEIFYFOCFQBPTE-GHSQFNHGSA-N 312.454 1.262 10 10 DDCE in-vitro CN1CCC2(CC1)CN(CCN)c1cc3c(cc1N2)OCCO3 75280872 WOXYASUXBQDBBS-UHFFFAOYSA-N 318.421 1.113 10 10 DDCE C[C@H]1CCC[C@@H](CS(=O)(=O)Nc2ccc(O)c(N)c2)O1 2364234019 GYMHBBIWXWGDEL-ONGXEEELSA-N 300.380 1.674 10 10 DDCE CN(C)c1ccc(CNC(=O)Nc2ccc(=O)n(C)c2)cc1 193934487 MACSHLNBXHVPKQ-UHFFFAOYSA-N 300.362 1.773 10 10 DDCE CCS(=O)(=O)CCCN(CCCN)c1ccc(OC)cc1 86973133 ARPJIRUMDGDYNZ-UHFFFAOYSA-N 314.451 1.675 10 10 DDCE COc1cccc(CNC(=O)C[C@@H](C)N2CCCCC2=O)c1O 193595786 PIVAUZZOUAHKFA-GFCCVEGCSA-N 320.389 1.808 10 10 DDCE COC(=O)[C@@H](C)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255864537 BCVCHHYRIBKOLG-DMTLFAOVSA-N 318.373 1.214 10 10 DDCE Cc1cccc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1O 289311514 DSIJVHGRVPTIEW-AWEZNQCLSA-N 312.435 1.556 10 10 DDCE CC(=O)C(=O)COC(=O)c1c(Cl)cccc1S(C)(=O)=O 808533031 DVRFBTBZGQNKBQ-UHFFFAOYSA-N 318.734 1.058 10 10 DDCE C[C@H](NC(=O)NCc1cnn(C)n1)c1ccc(N(C)C)cc1 805310317 REYNQTASRFFFDM-NSHDSACASA-N 302.382 1.442 10 10 DDCE CCc1noc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 902608826 FVCYMOUHOZTAMF-UHFFFAOYSA-N 316.361 1.603 10 10 DDCE Cc1cc(CN2C[C@H](C)N(CCO)C[C@@H]2C)ccc1N(C)C 842162364 HUXABDIZYSERHO-HOTGVXAUSA-N 305.466 1.948 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)C2(CC(=O)O)CCC2)cc1 849365247 ZURYPDSSVKNLLN-CQSZACIVSA-N 319.405 1.514 10 10 DDCE Cc1ccc(C(=O)Nc2c(C)nn(C)c2N2CCC2)c(O)c1O 913248658 DHGAEZUQQZUMKE-UHFFFAOYSA-N 316.361 1.911 10 10 DDCE COc1cc(O)c(CN[C@H]2CNCCC2(F)F)cc1OC 841075469 QAZBQKGULYBFCU-ZDUSSCGKSA-N 302.321 1.496 10 10 DDCE CC(C)(C)OC(=O)N1CCNC[C@@H]1Cc1ccc(O)c(O)c1 1952057852 ZAZTUMQGCYDVJQ-LBPRGKRZSA-N 308.378 1.849 10 10 DDCE C[C@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)c2ncnn21 851662705 GYMZRFWFZQYNMF-GXFFZTMASA-N 300.366 1.408 10 10 DDCE C[C@@H]1[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CCN1C 922554589 GJGKCWQNSLQMML-KDOFPFPSSA-N 303.450 1.830 10 10 DDCE COc1cc(Br)cc([C@H]2C[C@H](N)CN2C)c1O 1952699813 JCHDDRAWDGYLMD-WCBMZHEXSA-N 301.184 1.867 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(c2cc(O)ccc2O)C[C@@H]1C(=O)O 1952772526 MQAXUECGNOGMHR-BMIGLBTASA-N 309.318 1.922 10 10 DDCE CO[C@@H](CNC(=O)NCCc1ccc(N)cc1)[C@@H]1CCOC1 851662219 CRYNUSGFTUQSGF-HIFRSBDPSA-N 307.394 1.162 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 869587949 SODWTKXOQFMHMF-VXGBXAGGSA-N 319.357 1.615 10 10 DDCE CS(=O)(=O)N[C@@H]1CCN(Cc2cc(Cl)cc(F)c2O)C1 775705756 KXRQDKITXTZXDJ-SNVBAGLBSA-N 322.789 1.308 10 10 DDCE O[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC12CC2 1116674873 LQLVPYGTZXJGOD-MRXNPFEDSA-N 306.381 1.619 10 10 DDCE CN(C)c1ccc(CN2CCN3C(=O)OCC[C@@H]3C2)cc1F 770388480 BJDYZVBLLUNRQB-CYBMUJFWSA-N 307.369 1.918 10 10 DDCE O=[N+]([O-])c1cc(NS(=O)(=O)c2cncc(F)c2)ccc1O 775285778 BPGZOEPTDRVZCC-UHFFFAOYSA-N 313.266 1.635 10 10 DDCE COc1cc(C)nc(/C=C2\SC(=S)N(CC(N)=O)C2=O)c1 776725761 FEJSPGOUJKXTPH-YHYXMXQVSA-N 323.399 1.085 10 10 DDCE COc1cccc(CNS(=O)(=O)c2cnc3n2CCC3)c1O 772724690 OZKOKSQLJRSPMP-UHFFFAOYSA-N 323.374 1.022 10 10 DDCE O=C(NCc1nc(C(F)(F)F)no1)c1cccc(O)c1O 1138143292 HBUSFYSQYXXYIF-UHFFFAOYSA-N 303.196 1.430 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](CO)CC1CCOCC1 1139483452 KCYISKUFBGHWPZ-AWEZNQCLSA-N 323.389 1.182 10 10 DDCE COc1cc(Br)cc(CN2C[C@@H]3C[C@]3(O)C2)c1O 895647381 KWMRLWQLQSPUTR-ZANVPECISA-N 314.179 1.730 10 10 DDCE CCn1cc([N+](=O)[O-])c(C(=O)NCc2cc(O)ccc2O)n1 1303225202 BEAJZNSJQWBUCF-UHFFFAOYSA-N 306.278 1.152 10 10 DDCE O=C(CSc1cccc[n+]1[O-])NCc1ccc(O)cc1O 1162272049 ZYUWIIONVXMPCE-UHFFFAOYSA-N 306.343 1.140 10 10 DDCE CC(=O)c1ccc(C(=O)NCc2c(O)cccc2O)cc1O 1178910993 JIIMFPJXARYHSQ-UHFFFAOYSA-N 301.298 1.936 10 10 DDCE Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(O)c(O)c2)n1 1465954251 OAYKYBLYNFWWOY-UHFFFAOYSA-N 303.274 1.639 10 10 DDCE CN(C)[C@@H]1COC[C@H]1NCc1ccc(Br)cc1O 1921753184 JUDOXQREXOTNJZ-VXGBXAGGSA-N 315.211 1.573 10 10 DDCE CCOC(=O)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1639278509 DOKZWDKAEDTKCK-UHFFFAOYSA-N 306.322 1.874 10 10 DDCE COc1cc(C)cc(CN2CCO[C@H](Cn3cccn3)C2)c1O 164385239 AOGQOFBRFLNSJU-HNNXBMFYSA-N 317.389 1.807 10 10 DDCE CC(=O)N[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 153862600 IXKCHYBMUSKCST-KRWDZBQOSA-N 317.433 1.624 10 10 DDCE COc1ccc(O)c(CNC(=O)[C@H]2CCCN2C(=O)C(C)C)c1 155941095 OBRNKEKCQKFPOG-CQSZACIVSA-N 320.389 1.664 10 10 DDCE CS(=O)(=O)c1sccc1[C@@H](O)[C@H](N)c1ccccc1O 2150483306 XVRGGZBFFITVII-VXGBXAGGSA-N 313.400 1.591 10 10 DDCE CC(C=C1SC(=S)NC1=O)=C1SC(=S)NC1=O 2293038911 HEPBZCBUVKBSJE-UHFFFAOYSA-N 302.427 1.440 10 10 DDCE CN(C(=O)CN1CCCC[C@H]1C1OCCO1)c1ccc(N)cc1 2145805817 ORZJKSVGDNAAAS-HNNXBMFYSA-N 319.405 1.459 10 10 DDCE CN(Cc1ccc(N)cc1)[C@H](CNC(=O)OC(C)(C)C)C(=O)O 1992729930 HQCMQFVLWHALJQ-CYBMUJFWSA-N 323.393 1.679 10 10 DDCE CC(C)(C)OC(=O)N(CCO)CC(=O)NCc1ccc(N)cc1 1993295098 JVBDATXFEDBBHK-UHFFFAOYSA-N 323.393 1.114 10 10 DDCE C[C@H]1C[C@@](NCCCN=[N+]=[N-])(C(N)=O)CN1Cc1ccccc1 309961942 AOVMKCHTDBCQKF-BBRMVZONSA-N 316.409 1.795 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1csc(CO)c1 2157800467 OERORSQUVWJELC-UHFFFAOYSA-N 313.400 1.767 10 10 DDCE COCC1(N(C)C(=O)c2cnn3c(O)cc(C)nc23)CCC1 2063268032 MBJSNWOMPCMSSY-UHFFFAOYSA-N 304.350 1.384 10 10 DDCE CN(C[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21)c1ccc(CN)cc1Cl 2174639514 PJHJEHYOSTWWLI-ZSBIGDGJSA-N 314.838 1.526 10 10 DDCE CO[C@H]1[C@@H](NCc2c(O)cccc2Br)C[C@H]1O 2249802193 DSFMEXPZUUMDNM-WCQGTBRESA-N 302.168 1.393 10 10 DDCE C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1Cc1cccc(F)c1O 2279354236 PMDSGGQUIWJVAE-ZYHUDNBSSA-N 301.383 1.929 10 10 DDCE COC(=O)C(C)(C)CS(=O)(=O)N1CCC(N=[N+]=[N-])CC1 2290102955 ZXOOVJFRVLPEKK-UHFFFAOYSA-N 304.372 1.290 10 10 DDCE CC1(CS(=O)(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)COC1 2287122667 DASKLINSUDNGHW-LLVKDONJSA-N 302.400 1.765 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(Cl)c1 2336469982 CRKZFCUIQIJXEK-JQEORGNBSA-N 300.811 1.593 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CC[C@H](C)NC2)s1 2345312683 KQJDPDVURCCLPW-UFBFGSQYSA-N 301.437 1.550 10 10 DDCE CCCN1C(=O)/C(=C/Nc2ccc(C)cc2)C(=O)NC1=S 105497342 XCDDRTYOWWMTSN-FMIVXFBMSA-N 303.387 1.944 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cnn(C)c2)c1 103512798 CXSCXSUXHZIJGJ-LLVKDONJSA-N 318.377 1.737 10 10 DDCE O=C(COC[C@H]1CCOC1)NCc1c(O)ccc2c1CCCC2 174513581 WUTZIAAEDPOJKI-ZDUSSCGKSA-N 319.401 1.940 10 10 DDCE O=C(NC[C@@H]1COc2ccccc2O1)c1cc(O)nc(O)c1 170223543 BDQAVKQKUPFGGU-SNVBAGLBSA-N 302.286 1.063 10 10 DDCE CC(=O)N(C(=O)C(=O)NCc1ccccc1)c1ccc(N)cc1 170318220 DYABJEQTFWVFFZ-UHFFFAOYSA-N 311.341 1.465 10 10 DDCE N[C@@H](CO)c1cc(Br)c(Br)cc1O 72199846 VCCUCJZLKPDRAW-ZETCQYMHSA-N 310.973 1.909 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CC(=N)N)Cc1ccc(O)c(O)c1 1951699657 RNXFLXSJEFWJHJ-JTQLQIEISA-N 309.366 1.860 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)c1 190777248 YARCOWLEVWQIFK-UMVBOHGHSA-N 306.362 1.768 10 10 DDCE CC(C)(CNCc1cc(Br)ccc1O)C(N)=O 227438095 ZTIIZJRHURGSCC-UHFFFAOYSA-N 301.184 1.756 10 10 DDCE CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N)cc2)cc1 240716554 ANXVNIYLLGSKPT-UHFFFAOYSA-N 305.359 1.893 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)C[C@](C)(F)CN 2164487425 MDOPIXIJZKUYQU-ZWNOBZJWSA-N 304.387 1.402 10 10 DDCE Nc1nccnc1C(=O)NCc1cc(Br)ccc1O 804739242 BWKOFLWBAFBOAT-UHFFFAOYSA-N 323.150 1.457 10 10 DDCE COC(=O)/C=C/c1ccc(N2CCC(=O)CC2)c([N+](=O)[O-])c1 298180514 AHQSNLHPXBYPQK-HWKANZROSA-N 304.302 1.950 10 10 DDCE Nc1ccc(CS(=O)(=O)NCc2ccncc2Cl)cc1 704403705 KRMOHXQKONOABA-UHFFFAOYSA-N 311.794 1.937 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCNC(=O)CC2)c1 815835249 OBILJIUUJIEXCO-WDEREUQCSA-N 306.362 1.494 10 10 DDCE Cc1cc(Br)cc(CNC[C@@H]2CCC(=O)N2)c1O 827371374 SRDNHSBNOQVRML-NSHDSACASA-N 313.195 1.831 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3OC)C2)cc1 823201345 BTRQMWWINBVUKD-APHBMKBZSA-N 304.390 1.673 10 10 DDCE CCN(CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCOC1 839604163 KSDVIRFJBBGJRR-INIZCTEOSA-N 305.422 1.480 10 10 DDCE C[C@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C1CCOCC1 832267417 RSUSVJWADLBBRX-GUYCJALGSA-N 319.449 1.931 10 10 DDCE CSc1nccnc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 907274957 SLKHOBMIFJKLLT-VIFPVBQESA-N 319.386 1.971 10 10 DDCE CN(C)c1ccc(/C=C/CNCCN2CCC(O)CC2)cc1 835055279 UAVMYMFCPQGDFZ-ONEGZZNKSA-N 303.450 1.812 10 10 DDCE OCCCOCCNCc1cc(Br)ccc1O 1325658857 KITYJOLXRZKWKZ-UHFFFAOYSA-N 304.184 1.643 10 10 DDCE CCN(CCC(N)=O)C(=O)NCc1ccc(N(CC)CC)cc1 914255113 XYMZLFQLRQLPJU-UHFFFAOYSA-N 320.437 1.940 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCNC[C@@H]2C)c1 841988518 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COc1ccc(CNC[C@H](C)NC(=O)C2=CCOCC2)cc1C 1268684181 LLTQJYONJARWMS-AWEZNQCLSA-N 318.417 1.945 10 10 DDCE CN1C[C@]2(C)CN(C(=O)Cc3ccc(O)c(O)c3)C[C@@]2(C)C1 1470673535 DWKBZMLHTPBKJB-IAGOWNOFSA-N 304.390 1.441 10 10 DDCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nn2cnnc2)c1 1624014434 HKRRHCYFZGQXAP-UHFFFAOYSA-N 309.329 1.882 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCn2ncnc2C1 1634574435 GHLKHRWDVYXQHQ-UHFFFAOYSA-N 316.342 1.560 10 10 DDCE Cc1cn2nnc(C(=O)N[C@H](C)c3ccccc3O)c2c(O)n1 1643741965 HHZGQFZLKQYLLM-SECBINFHSA-N 313.317 1.335 10 10 DDCE CN(C)C(=O)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1642634143 HAQZSXQMFDODPG-LLVKDONJSA-N 317.349 1.399 10 10 DDCE CCC(=O)NC[C@@H](CC)NC(=O)c1cc(OC)nc(OC)c1 1746099853 SPTMHZNCECUQSR-LLVKDONJSA-N 309.366 1.133 10 10 DDCE CCN(CC(=O)NC)c1ccc(CN)c(Br)c1F 231839046 XUNAUCVWHIPFSH-UHFFFAOYSA-N 318.190 1.619 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(c2ccc(N)cc2)C1 1960834694 PXYQWTIORQWYRS-JSGCOSHPSA-N 307.394 1.733 10 10 DDCE 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C[C@@H]1O[C@H](C)C[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O 865315074 HHKSXTDDMJXUCD-NTZNESFSSA-N 304.346 1.722 10 10 DDCE CN1CCOc2c(Br)cc(N3CCNCC3)cc21 62564360 KHGCZPCKINVQFQ-UHFFFAOYSA-N 312.211 1.687 10 10 DDCE COC(=O)[C@]1(OC)CCN(Cc2cc(F)cc(F)c2O)C1 895392058 KMWRDBIAQQRKKA-AWEZNQCLSA-N 301.289 1.434 10 10 DDCE Cc1sc2[nH]c(=O)n(Cc3ccc(N)cc3)c(=O)c2c1C 74371821 CBOTZYIWNIHGIO-UHFFFAOYSA-N 301.371 1.999 10 10 DDCE CN(C)c1cccc(S(=O)(=O)NCc2ccccc2O)c1 788056548 WYWFHMRYRHYJTD-UHFFFAOYSA-N 306.387 1.937 10 10 DDCE O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CCNC1 687252750 WPKRBRJEZWLEIE-ZETCQYMHSA-N 311.190 1.803 10 10 DDCE Cn1cc(Br)c(C(=O)NCCc2ccc(N)cc2)n1 693032395 CWNMTVXBPLKRMT-UHFFFAOYSA-N 323.194 1.737 10 10 DDCE CC(C)(C)OC(=O)N1CC(C(=O)NCc2cc(O)ccc2O)C1 1153884690 FUQBHCZRAPUXRT-UHFFFAOYSA-N 322.361 1.581 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC2CC1(C)C2 1328069491 JXLJZZGXDYUIJU-UHFFFAOYSA-N 315.417 1.688 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1CC1(F)F 1331375732 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DDCE CNCc1ccc(N2C[C@H]3C(CO)[C@@H]3C2)cc1Br 2030272195 GHMUFCOOSJPGPK-VXGBXAGGSA-N 311.223 1.843 10 10 DDCE O=C1Nc2cc(N3CC(SC(F)F)C3)c(F)cc2[C@H]1O 2196692132 IDCDSQBUFBDEHO-SNVBAGLBSA-N 304.293 1.956 10 10 DDCE C[C@H](Cn1cnnc1)NCc1ccc(Br)cc1O 2066618583 PRIDYLLIPYELAQ-SECBINFHSA-N 311.183 1.925 10 10 DDCE CN(Cc1ccc(N)cc1)c1ncc(Br)c(=N)[nH]1 2080401072 JGECAVZNQQINHT-UHFFFAOYSA-N 308.183 1.870 10 10 DDCE COc1ccc(Br)c(CN(C)[C@H](C)C(N)=O)c1O 2220479984 KOPWCUPKBNBHPV-SSDOTTSWSA-N 317.183 1.469 10 10 DDCE C[C@@H](O)CN(CCCN=[N+]=[N-])CCNC(=O)OC(C)(C)C 2241657917 BPXRVQCGAVOBDB-LLVKDONJSA-N 301.391 1.894 10 10 DDCE CS(=O)(=O)C1CC(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1 2285309670 YSULCWQTSQLXBS-KPPDAEKUSA-N 300.384 1.359 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)C[C@H]3CC[C@H]2O3)s1 2349507032 CTBAARZFDASAGS-GMEUVTARSA-N 300.405 1.729 10 10 DDCE Cc1cc(N(C)[C@@H]2CCS(=O)(=O)C2)ccc1CNC1CC1 50582641 FIEBCJOAARUHCO-MRXNPFEDSA-N 308.447 1.870 10 10 DDCE CN[C@H](C)c1ccc(N2CCN(S(C)(=O)=O)CC2)c(F)c1 62084910 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CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCN1C[C@H](C)O 248409756 GFSQBSOSLZZKAM-QWHCGFSZSA-N 322.405 1.323 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCN3CCOC[C@H]3C2)c1O 363795226 NJMLZQBEWKODOJ-CQSZACIVSA-N 324.808 1.765 10 10 DDCE CCN1CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C1=O 801799511 DWRNSIYKDAWJAY-CQSZACIVSA-N 304.394 1.173 10 10 DDCE CC(=O)C(=O)COC(=O)c1ncccc1OCC(F)(F)F 808526283 NQJSKXQFGNWMIS-UHFFFAOYSA-N 305.208 1.338 10 10 DDCE O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@H]2CC[C@H]1CN2 817876873 WBZLDMVFFAQOME-WBVHZDCISA-N 312.417 1.709 10 10 DDCE CN(C)c1ccc(OCC(=O)N2CCOC[C@H]2C2CC2)cc1 810001748 KTLLKOPZDSFSLP-INIZCTEOSA-N 304.390 1.769 10 10 DDCE CC(C)N1C[C@@H](C)[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 588407743 MKZFDDIBRVEDIL-QZWGFMDZSA-N 304.390 1.956 10 10 DDCE CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)Nc1ccc(N)cc1 841296000 MGQANLBPTNBKJC-ZIAGYGMSSA-N 321.377 1.843 10 10 DDCE C[C@@H](N)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 842001644 ANCFTPSONCXAKP-ZIAGYGMSSA-N 320.437 1.400 10 10 DDCE 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CCNC(=O)CCC(=O)NCc1ccc2cccnc2c1O 862027986 LVDUQROPFIYFFY-UHFFFAOYSA-N 301.346 1.473 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCCN(C)CC2)c([N+](=O)[O-])c1 931280825 SZDCSLCSLOUUEM-ALCCZGGFSA-N 319.361 1.923 10 10 DDCE COC(=O)[C@@]1(OC)CCN(Cc2ccc(N(C)C)c(F)c2)C1 862475713 UZKBMSBYXLCPIE-MRXNPFEDSA-N 310.369 1.656 10 10 DDCE CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1ccccc1O 868219889 NACDGGCTJFOLSR-JTQLQIEISA-N 300.380 1.187 10 10 DDCE COC(=O)[C@@H]1C[C@@H]1CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 888830361 UJVPRJPTXMNOGI-NJZAAPMLSA-N 319.405 1.922 10 10 DDCE COc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)cc(Cl)c1OC 1084114512 BKYDEZYQRPPBEU-YWEYNIOJSA-N 324.720 1.449 10 10 DDCE CO[C@]12CCC[C@@]1(C(=O)NCc1cccc(O)c1O)CCO2 1153798240 MYJJHGZZWNUHCS-HOTGVXAUSA-N 307.346 1.647 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc[nH]c2nccc1-2 1154025209 GXBUYEVMRYOWEL-SECBINFHSA-N 312.329 1.682 10 10 DDCE O=Cc1cccc(OCC(=O)NCc2c(O)cccc2O)c1 1178912909 YYLICCKEMNZTIC-UHFFFAOYSA-N 301.298 1.606 10 10 DDCE Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1c(O)cccc1F 1456029202 KOLZLSDCTVKGIE-UHFFFAOYSA-N 305.265 1.952 10 10 DDCE CCN1CC[C@@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 1544896734 GLHDVDGNFDYXPZ-QGZVFWFLSA-N 317.433 1.828 10 10 DDCE CSC[C@](C)(O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1634267873 FINSEUYHWLYSNV-CYBMUJFWSA-N 310.379 1.693 10 10 DDCE Cn1ccc(C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)n1 1635143155 QHPHDJMIENFWKG-UHFFFAOYSA-N 315.373 1.780 10 10 DDCE C[C@H]1CCc2nc(C(=O)NCc3c(O)cccc3O)cn2C1 1635850487 NWTYECJPINIPST-JTQLQIEISA-N 301.346 1.807 10 10 DDCE COc1ccc(CNC(=O)c2c(OC)nsc2OC)c(O)c1 1633927677 ZELHIWMKVKXRQD-UHFFFAOYSA-N 324.358 1.805 10 10 DDCE CC(=O)N[C@H](CCC(C)C)C(=O)NCc1cc(O)ccc1O 1633598995 KHFYXXVVDBTDCR-CQSZACIVSA-N 308.378 1.655 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cccc(-n2ccnn2)c1 1645363020 JJHRBKAETMQNQJ-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE Cn1ccnc1[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 1654471260 WLYWATGVVYIXAH-VIFPVBQESA-N 305.309 1.600 10 10 DDCE Cn1c(=O)n(CCC(=O)Nc2ccc(N)cc2)c2ccccc21 160392930 GPDJNOAECBURKP-UHFFFAOYSA-N 310.357 1.951 10 10 DDCE Nc1ccc(-n2nnc(C(=O)Nc3cc(F)ccc3F)n2)cc1 1857878415 AVKLDQJAPHPMGE-UHFFFAOYSA-N 316.271 1.775 10 10 DDCE Cc1ccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)cc1F 1857878430 BIDADIPUUMVWLS-UHFFFAOYSA-N 312.308 1.944 10 10 DDCE NC(=O)[C@]1(O)CCN(c2ccc(OCc3ccccc3)cc2)C1 1899880901 ADUSRYHTIOKMLD-SFHVURJKSA-N 312.369 1.692 10 10 DDCE NCc1cc(F)c(N2CC[C@H](O)[C@@H](F)C2)cc1Br 2027984841 AGSZARCTWFBIDG-JQWIXIFHSA-N 321.165 1.956 10 10 DDCE CCN[C@@H](c1ccccc1O)[C@@](C)(O)CCS(C)(=O)=O 2160826490 DJFYAFSXCCXHJW-KBPBESRZSA-N 301.408 1.229 10 10 DDCE O=C(NCc1coc(Br)c1)c1cc(O)nc(O)c1 386053742 HTGLHUFXRHQJEX-UHFFFAOYSA-N 313.107 1.778 10 10 DDCE CCN(c1c(F)cc(CN)cc1F)[C@@H]1CCS(=O)(=O)C1 387414213 TYGQECIBXXKPBG-SNVBAGLBSA-N 304.362 1.437 10 10 DDCE C[C@@H](O)C1CN(c2ccc(CN)c(Br)c2F)C1 719748624 RYAXSBXLAGPTHE-SSDOTTSWSA-N 303.175 1.864 10 10 DDCE N[C@@]12C[C@H]1CN(Cc1cc(Br)cc(F)c1O)C2 1236031584 XMCMSVURTIPKHN-QPUJVOFHSA-N 301.159 1.827 10 10 DDCE CCO[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)C(C)C 2188360361 BSUZUPVVIKWEBI-CQSZACIVSA-N 300.424 1.749 10 10 DDCE C[C@H](O)c1cc(F)c(N2CC[C@H](S(C)(=O)=O)C2)c(F)c1 2194522539 LLLUJYSSMYXXHY-WPRPVWTQSA-N 305.346 1.641 10 10 DDCE CC(C)(C)OC(=O)N(CCCOc1nnc(=N)[nH]n1)C1CCC1 2210650114 QRYYYDYDQQKQMD-UHFFFAOYSA-N 324.385 1.238 10 10 DDCE COC(=O)NC[C@H](C)NCc1cccc(Br)c1O 2258234699 CUGNZLXMHDFWHM-QMMMGPOBSA-N 317.183 1.989 10 10 DDCE CC[C@H](C(=O)O)N(C)C(=O)NCc1cnc(SC)s1 2269120423 ZXZMQCDXXSUGOU-MRVPVSSYSA-N 303.409 1.870 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1c2ccccc2C[C@@H]1O 2308001977 JUOJJOCZDZMCGS-WMZOPIPTSA-N 311.337 1.886 10 10 DDCE COCCN(CCOC)N=Nc1ccc2c(c1)OCC(=O)N2C 2330245869 GQCXXRJLLUHQRO-UHFFFAOYSA-N 322.365 1.635 10 10 DDCE Cc1ccc(CNCC2(C(N)=O)CC2)c(O)c1Br 2327614147 ZSOLWUPZBXTHOF-UHFFFAOYSA-N 313.195 1.818 10 10 DDCE Cc1ccc(CN2C[C@@H](O)C[C@@H]2CO)c(O)c1Br 2327620196 AMOFXWYMUHJXEV-MNOVXSKESA-N 316.195 1.391 10 10 DDCE COC[C@@H](O)CN(C)c1c(F)cc(CNC(C)C)cc1F 62713320 CNGUVKIBAXDXHP-LBPRGKRZSA-N 302.365 1.906 10 10 DDCE CC[C@H](C(=O)Nc1ccc(N)cc1)N(CCOC)CCOC 62460708 IEUQDKUGVKMUQL-OAHLLOKOSA-N 309.410 1.581 10 10 DDCE CNC(=O)[C@@H]1CCCN1c1ccc(CN)cc1Br 212953474 XWAYCSUAROOOCZ-LBPRGKRZSA-N 312.211 1.623 10 10 DDCE CCOC(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](N=[N+]=[N-])[C@@H]1O 41701992 LFRBCTNPGRAUIN-XFWSIPNHSA-N 314.342 1.503 10 10 DDCE CCc1nnc2sc([C@H](N)Cc3ccc(O)c(O)c3)nn12 133443277 RIHHQONMSQISBD-MRVPVSSYSA-N 305.363 1.402 10 10 DDCE CCOC(=O)CN(C(C)C)S(=O)(=O)Cc1ccc(N)cc1 40348000 WJXYDAXVISCMNM-UHFFFAOYSA-N 314.407 1.372 10 10 DDCE COc1ccc(O)c([C@@H](C)NS(=O)(=O)N2CCC[C@H]2C)c1 248728555 PPCAQYDSQAFXTP-GHMZBOCLSA-N 314.407 1.781 10 10 DDCE CCNCc1cc(F)c(N2C[C@@H](CO)OC[C@H]2C)c(F)c1 250178579 LBZAUZPOJLWEJV-PWSUYJOCSA-N 300.349 1.660 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(F)c(Br)c1 808523382 GHWRVIFZCJTHQF-UHFFFAOYSA-N 303.083 1.903 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Nc3ccn(C)n3)C2)cc1 820704759 PCBAPOAUDOAJRH-GFCCVEGCSA-N 315.377 1.829 10 10 DDCE CCN(CC(=O)OC)C(=O)c1cc2cc(O)c(O)cc2s1 900564391 VHZXRTULCZKRNG-UHFFFAOYSA-N 309.343 1.948 10 10 DDCE OC[C@@]1(O)CCCN(Cc2cccc(Br)c2O)C1 839152747 BNUJJMNIBJIBQJ-CYBMUJFWSA-N 316.195 1.474 10 10 DDCE COC[C@@H](CCN1C(=O)CN(Cc2ccccc2O)C1=O)OC 849356617 GALCDRDLJLCGIT-CYBMUJFWSA-N 322.361 1.208 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@@]2(O)CCOC2)c1 845451896 AAXZOYJDFVKLIZ-BDJLRTHQSA-N 324.377 1.303 10 10 DDCE CC[C@H](NC[C@H](O)CS(C)(=O)=O)c1cccc(Cl)c1O 927024458 KVYSNVIFZIDJHG-CABZTGNLSA-N 321.826 1.492 10 10 DDCE Cc1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c(O)c1O 924273334 SXTAACDRYHZPGY-PRXAMGSTSA-N 321.373 1.863 10 10 DDCE CC(C)(C)OC(=O)[C@]1(NC(=O)c2cccc(O)c2O)CCOC1 855641240 VMLOQZXHVAIYII-INIZCTEOSA-N 323.345 1.328 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@@H]1[C@@H]2C[C@H]3[C@H](CO[C@H]31)C2 923614924 IKAJOWWNDOSART-WIVWZLNMSA-N 306.337 1.754 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N(C)CC(C)(C)O)C2)cc1 854298952 CJIQQXHHVKRANN-CYBMUJFWSA-N 321.421 1.686 10 10 DDCE CCOC(=O)CN1C(=O)/C(=C/c2cn(C)nn2)c2ccccc21 755607107 SKUYWTJUSIAHKP-MDWZMJQESA-N 312.329 1.265 10 10 DDCE O[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1 858226783 PVHDHZMJJBTGBF-DLBZAZTESA-N 324.396 1.292 10 10 DDCE COc1ccc(N2CC[C@@H](Nc3ccc4nncn4n3)C2)cc1 853758203 BJCLPFVYYZWLSN-GFCCVEGCSA-N 310.361 1.824 10 10 DDCE CO[C@@H]1CCOC[C@H]1NCc1ccc(N2CCOCC2)cc1 934035945 FVJLTQMVCUXBNU-IAGOWNOFSA-N 306.406 1.417 10 10 DDCE CCC1(O)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 761908671 URBCCYJZXVRMTI-UHFFFAOYSA-N 321.333 1.667 10 10 DDCE CCC1(N(C)C)CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 868291909 YJHSKAIZGBDSOM-UHFFFAOYSA-N 318.421 1.540 10 10 DDCE CCN(CC)c1ccc(CN(C)C(=O)C2CS(=O)(=O)C2)cc1 864636509 MJXCIVFEMJKREW-UHFFFAOYSA-N 324.446 1.536 10 10 DDCE Cc1ccc(C(=O)N(C)[C@@H]2CCCCN(C)C2=O)c(O)c1O 870603434 NYHRVEBQLTXOGE-GFCCVEGCSA-N 306.362 1.489 10 10 DDCE COC(=O)c1cc(OCCc2cncn2C)ccc1N(C)C 871794241 PNKZBCIBSVUXCN-UHFFFAOYSA-N 303.362 1.894 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)c2cnc3n2CCC3)c1 772724939 HIBWSWMIDULIGR-UHFFFAOYSA-N 323.374 1.022 10 10 DDCE CNc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nc1 1138152129 AVKWFHFNWUEAIY-SNVBAGLBSA-N 301.346 1.896 10 10 DDCE COC[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCCOC1 899651909 BMCZNUGCMSOGBN-ONGXEEELSA-N 313.325 1.408 10 10 DDCE Cc1nc(SCCC(=O)NCc2cc(O)ccc2O)n[nH]1 1176748670 ZAUKJHLEHRXNIM-UHFFFAOYSA-N 308.363 1.323 10 10 DDCE C[C@H](C(=O)OC(C)(C)C)S(=O)(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912177451 FAVPWNDNERPSMX-RKDXNWHRSA-N 304.372 1.431 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@]2(CCO)CCOC2)cc1 1618014989 QKRFSBCQDHFADS-AWEZNQCLSA-N 306.322 1.120 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2ncc[nH]2)cc1C 1731591332 QMOXUNPPGXXPCC-LBPRGKRZSA-N 302.378 1.635 10 10 DDCE COC(=O)[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C 1643655259 KBMSTDRYFCWPOF-BXKDBHETSA-N 318.333 1.730 10 10 DDCE COc1cccc(CNC(=O)c2ccnc(F)c2OC)c1O 1595800539 YQTZCZRSPQBZMI-UHFFFAOYSA-N 306.293 1.874 10 10 DDCE CN1C(=O)COc2cc(/N=N/N3CCC(C(N)=O)CC3)ccc21 1860493817 DHNXHZFPMQXPMV-ISLYRVAYSA-N 317.349 1.238 10 10 DDCE O=C(O)C1(F)CN(Cc2c(O)cccc2Br)C1 2008816596 WLFUGIGBKPXOFC-UHFFFAOYSA-N 304.115 1.763 10 10 DDCE Cn1cc(C=C2CCn3c2nc2cc(C(=O)O)ccc2c3=O)cn1 2040497871 WNLALDMWZQJCPP-UHFFFAOYSA-N 322.324 1.773 10 10 DDCE O=C1c2ccccc2C(=O)N1CCN1CCc2ccc(CO)cc21 371342089 UQWQZJIADRHAHK-UHFFFAOYSA-N 322.364 1.838 10 10 DDCE O=C(O)c1cc(O)ccc1NS(=O)(=O)c1ccns1 717661194 CXBBNGKYLQDAIX-UHFFFAOYSA-N 300.317 1.348 10 10 DDCE C[C@@H](O)CC(C)(C)CNS(=O)(=O)Cc1ccc(N)cc1 393550273 PFJPJIXUADUYBQ-LLVKDONJSA-N 300.424 1.485 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCC3(O)CCCCCC3)c2n1 2064313420 JLBQIRAIVSHVSF-UHFFFAOYSA-N 318.377 1.558 10 10 DDCE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1c(F)cc(CN)cc1F 2170629847 GZFMLHPTSZBDHI-RKDXNWHRSA-N 306.378 1.681 10 10 DDCE CS[C@H]1CN(c2ccc(CN)c(F)c2F)C[C@H]1N(C)C 2170716911 KYTDPMDWBSLPPH-NEPJUHHUSA-N 301.406 1.905 10 10 DDCE COc1ccc(Br)c(CN(C)C[C@H]2CCN2)c1O 2220464411 ODOLIWAJIQSAOG-SECBINFHSA-N 315.211 1.957 10 10 DDCE CC(C)[C@H](CN)NCc1cc(Br)c(O)cc1O 2248027789 AEGUDSQAXFMTIH-JTQLQIEISA-N 303.200 1.933 10 10 DDCE CNCCCNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2301581553 NDANOZRVXUCFIU-UHFFFAOYSA-N 303.406 1.262 10 10 DDCE O=C(O)CCCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 178238126 MIOZAYVMVWOOLQ-VMPITWQZSA-N 318.373 1.517 10 10 DDCE Cc1n[nH]c(C)c1CCNC(=O)[C@@H](C)Cc1ccc(O)c(O)c1 170038509 FHMQEIWLOLFYLH-JTQLQIEISA-N 317.389 1.975 10 10 DDCE CO[C@@]1(CO)CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 402712741 JVJARDKKDMNKCF-INIZCTEOSA-N 311.353 1.707 10 10 DDCE COc1ccc(N2CCN(C(=O)c3nc[nH]c3C)CC2)cc1 74672820 CZTGOUIJOXUXLR-UHFFFAOYSA-N 300.362 1.689 10 10 DDCE C[C@@H]1CN(Cc2cc(Br)ccc2O)CC(=O)N1C 282241333 AMXHWIIYQDSFTE-SECBINFHSA-N 313.195 1.817 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1)N1CCC[C@H](CCO)C1 2166875114 DTNAPSKOQAQKJS-LLVKDONJSA-N 300.380 1.143 10 10 DDCE CC(C)S(=O)(=O)NC1CN(c2ccc(CO)cc2Cl)C1 2165627095 AFGIRVAKUHVMDZ-UHFFFAOYSA-N 318.826 1.349 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@H](CCC(=O)O)C(=O)O)cc1 904050682 NXJDMCWDXZGTEI-RDFMZFSFSA-N 306.362 1.673 10 10 DDCE Oc1ccccc1CN1C[C@@H]2CC[C@H](C1)N2C1CCNCC1 903979983 AWSPCQDWVLGSRZ-CALCHBBNSA-N 301.434 1.793 10 10 DDCE C[C@H]1CN([C@@H](C)CNC(=O)Nc2ccc(N)cc2)C[C@@H](C)O1 848595082 SJXXXTKGBOEOQQ-RWMBFGLXSA-N 306.410 1.888 10 10 DDCE O=C(NCCCN1CCOCC1)NCc1c(O)cccc1F 913836402 SFRSNFCXWWLXJP-UHFFFAOYSA-N 311.357 1.053 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC(CO)C1 840485661 VXHZLHOJOQIWOI-CYBMUJFWSA-N 305.422 1.626 10 10 DDCE CN(C)c1ccc(CNC(=O)c2coc(S(C)(=O)=O)c2)cc1 844308747 YUYGPQKOVVZHRD-UHFFFAOYSA-N 322.386 1.679 10 10 DDCE COc1ccc(N2CC[C@@H](N[C@@H]3CCC(=O)NC3(C)C)C2)cc1 850487843 POFMBVRYBMSWLT-CZUORRHYSA-N 317.433 1.921 10 10 DDCE COc1ccc(O)c(CNC(=O)NC[C@@H](OC)[C@H]2CCOC2)c1 853736495 CYXKNIMICNJJJR-XHDPSFHLSA-N 324.377 1.252 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CCN(C)CC3)C2)cc1 854302100 IAYNQSHOXDWNMI-AWEZNQCLSA-N 318.421 1.231 10 10 DDCE CCN(C)c1ccc(CN2CCC(OC)(OC)[C@H](O)C2)cc1 931636812 YPMUARTZYVNFOA-MRXNPFEDSA-N 308.422 1.698 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)CC2CS(=O)(=O)C2)c1 1118995701 JKAVMADRESYCMR-SECBINFHSA-N 313.375 1.013 10 10 DDCE CN1CCCC[C@H](N(C)C(=O)/C=C\c2ccc(O)c(O)c2)C1=O 870603320 LBKBGYCZRWTORA-JWJUJFCLSA-N 318.373 1.580 10 10 DDCE Cn1ncc(Br)c1CNCc1ccc(O)c(O)c1 693489058 YOYNDAIJTQHXEN-UHFFFAOYSA-N 312.167 1.884 10 10 DDCE Cn1cc(C(C)(C)NC(=O)/C=C/c2ccc(O)c(O)c2)nn1 1162941993 CNOVCRLADOQTRQ-FNORWQNLSA-N 302.334 1.291 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@@H](O)CCc1ccccc1 1178910551 FXIBTJZDSPRUBG-INIZCTEOSA-N 301.342 1.708 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 1322916344 DEDDULUVRAGUCX-OBJOEFQTSA-N 302.374 1.655 10 10 DDCE COC(C)(C)[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 1262223128 LDMVAVXAJPODNC-LBPRGKRZSA-N 321.421 1.299 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 1912189314 VOLWULFHFKTFII-MNOVXSKESA-N 300.384 1.503 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)N1CCC[C@@H](O)C1 1914132858 QOGBIBUMLYZTDR-SECBINFHSA-N 306.771 1.159 10 10 DDCE CC(=O)Nc1cccnc1C(=O)NCCc1ccc(O)c(O)c1 1294912135 BJVRJUVWFLOFDV-UHFFFAOYSA-N 315.329 1.424 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)c1ccc(F)cc1 1468368041 WEWRCNIRBVBVIW-ZDUSSCGKSA-N 305.305 1.629 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1nsnc1O 1469250741 TYPWFYHGEYWTSJ-UHFFFAOYSA-N 302.315 1.428 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2cc(C)[nH]n2)cc1C 1481211174 RGMRVOLSSJLAQA-UHFFFAOYSA-N 316.405 1.897 10 10 DDCE CNC(=O)Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1 1639295650 BLZIUNFAMJFHEJ-UHFFFAOYSA-N 315.329 1.779 10 10 DDCE COc1nccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 1632680899 HYHUJIKUNAKEMZ-VIFPVBQESA-N 303.318 1.257 10 10 DDCE O=C(N[C@H](CO)CCc1ccccc1)c1cccc(O)c1O 1638584627 QSGYVHNGIIIZEB-ZDUSSCGKSA-N 301.342 1.821 10 10 DDCE COc1cncc(C(=O)NCc2ccc3cccnc3c2O)n1 1638572934 BHEKEVOYBVJFFY-UHFFFAOYSA-N 310.313 1.669 10 10 DDCE COC(=O)[C@H]1C[C@H](C)CCN1C(=O)Cc1ccc(O)c(O)c1 1567882026 YBALBMYBIYVZNV-ZYHUDNBSSA-N 307.346 1.440 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cnc(C(F)(F)F)nc1 1643104412 XQHRHQMCPYUJCX-UHFFFAOYSA-N 313.235 1.837 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3nn[nH]c3n2)c1 1595800545 YVQUSOMMVQXIJG-MRVPVSSYSA-N 313.317 1.558 10 10 DDCE O=C1c2ccccc2C(=O)c2c1cccc2C(=O)N1CC(CO)C1 166398135 KQRNEHQGAJOVJG-UHFFFAOYSA-N 321.332 1.526 10 10 DDCE Nc1ccc(CCNC(=O)c2n[nH]c(=O)c3ccccc23)cc1 152577567 QLPJEPIWUHGEIG-UHFFFAOYSA-N 308.341 1.478 10 10 DDCE CO[C@H]1CNCC[C@@H]1Nc1c(N)cccc1Br 2016907928 KMSJAINMZSYFPI-QWRGUYRKSA-N 300.200 1.820 10 10 DDCE O=C(O)COC1CN(Cc2ccc(Br)cc2O)C1 2028214666 BLQOHWPUHXXXKP-UHFFFAOYSA-N 316.151 1.440 10 10 DDCE [N-]=[N+]=N[C@H]1CCCN(C(=O)C2CCS(=O)(=O)CC2)CC1 2155551020 IFEKNKSEAFSXHK-NSHDSACASA-N 300.384 1.503 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](NCc2c(O)cccc2Cl)C1 400128925 AGLXRMDTFTXWAF-SNVBAGLBSA-N 318.826 1.559 10 10 DDCE CNCc1ccc(N(C)CCS(=O)(=O)C(C)C)c(F)c1 2170456053 WUTUZHRWIJUPHF-UHFFFAOYSA-N 302.415 1.805 10 10 DDCE Cn1ncc([C@@H](NCCCN=[N+]=[N-])C(=O)O)c1Br 712458709 IIJKIJSKMGSPST-SSDOTTSWSA-N 317.147 1.598 10 10 DDCE CC(=O)NC1CN(c2cc(Br)c(CN)cc2F)C1 387817068 UXCFUAMOGIQLIY-UHFFFAOYSA-N 316.174 1.372 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CNCCCc1nn[nH]n1 392577623 AELDAGHUJKZQLL-UHFFFAOYSA-N 302.165 1.935 10 10 DDCE CC1([C@H]2CCCCN2C(=O)c2cc(O)c(O)c(O)c2)OCCO1 2188912477 KQNSIOJNAHAORJ-CYBMUJFWSA-N 323.345 1.561 10 10 DDCE O=C1NC[C@H]2CC[C@H]1N2c1ccc(CO)c(Br)c1 2052290366 QHUABJMKFLMQNS-ZYHUDNBSSA-N 311.179 1.409 10 10 DDCE NCc1ccc(N2CCO[C@@H]3COC[C@@H]32)cc1Br 2072512470 CSXMDTSSWVNMMR-QWHCGFSZSA-N 313.195 1.512 10 10 DDCE C[C@]1(O)CN(c2ccc(CO)c(Br)c2)CC[C@H]1O 2081766124 MENTXVGZCJGDTJ-OLZOCXBDSA-N 316.195 1.263 10 10 DDCE C[C@@H]1CCS[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2094458886 XBTUFPHFCZOJER-ZWNOBZJWSA-N 300.449 1.830 10 10 DDCE CCc1nn(C)c(C(=O)NCc2cnc(SC)s2)c1N 2284502865 ZIBYXIWRNVFPSP-UHFFFAOYSA-N 311.436 1.673 10 10 DDCE CSc1ncc(CNC(=O)N2CC(C)(C)[C@H]2C(=O)O)s1 2284543663 IFZCNVJNEHIZKX-MRVPVSSYSA-N 315.420 1.870 10 10 DDCE CCN(C[C@@H](O)C(F)(F)F)C(=O)C=Cc1ccc(O)c(O)c1 2310355437 TVLQTBFNZUGXAA-GFCCVEGCSA-N 319.279 1.883 10 10 DDCE C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)C=Cc1ccc(O)c(O)c1 2312437466 SEQUALHKJXZPKH-QWHCGFSZSA-N 320.389 1.025 10 10 DDCE Cc1ccc(CNCC2(CO)COC2)c(O)c1Br 2327629720 FMURBFKAIATFHY-UHFFFAOYSA-N 316.195 1.562 10 10 DDCE Nc1ccc(O)c(CNS(=O)(=O)c2ccc(F)c(F)c2)c1 36742777 SWFDYJAUVXZTSZ-UHFFFAOYSA-N 314.313 1.731 10 10 DDCE CSc1ncc(CNC(=O)NC[C@H]2C[C@@H]2CC(=O)O)s1 2360956884 QJOZAUNOAVMCNZ-HTQZYQBOSA-N 315.420 1.775 10 10 DDCE CN(C)N[C@@H]1C[C@H](c2ccccc2)C(C#N)(C#N)C1(C#N)C#N 34327869 SZIWODYIOGNZQO-HUUCEWRRSA-N 304.357 1.676 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnn(-c2ncccn2)c1 180801124 UFAHDQDXZSSIOX-HWKANZROSA-N 323.312 1.725 10 10 DDCE CO[C@H](CCS(C)(=O)=O)CNCc1cc(Cl)ccc1O 2364092523 NYEMZBRBZJJUAF-GFCCVEGCSA-N 321.826 1.585 10 10 DDCE C[C@H](NS(=O)(=O)CCCCCCN)c1ccccc1O 2364185431 ZHBZKZPJOVXCEY-LBPRGKRZSA-N 300.424 1.892 10 10 DDCE COc1cc(Cl)c(N2CCOC[C@H](CO)C2)c(OC)c1 2368122079 XRIUFURZEUXXJB-JTQLQIEISA-N 301.770 1.802 10 10 DDCE CN1CCN(c2ccc(CN3C[C@H]4COC[C@@]4(C)C3)cc2)CC1 827280058 CZLLBUMIYOTQFT-PKOBYXMFSA-N 315.461 1.907 10 10 DDCE Oc1cc2c(cc1CN1C[C@H]3CC[C@H]1[C@@H]1CNC[C@H]31)OCO2 903962578 KIAWPIQUQGFTJE-ZRJCITRHSA-N 302.374 1.551 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@](C)(CCF)C(=O)O)cc1 908758926 SYIFZQDMRDBQGM-OAHLLOKOSA-N 311.357 1.755 10 10 DDCE COCCN1CN(C/C=C/c2ccc(N(C)C)cc2)CC1=O 835050088 OSXMQKUXXHTMRK-SNAWJCMRSA-N 303.406 1.514 10 10 DDCE C[C@H]1[C@@H](N)CCN1C(=O)NCc1ccc2c(c1)CCCN2C 841758126 CVBHZFIJCYOOLY-WFASDCNBSA-N 302.422 1.700 10 10 DDCE O=c1n(Cc2ccc(N3CCOCC3)cc2)nc2ccccn12 916652933 AYHZFCWFGDHVDX-UHFFFAOYSA-N 310.357 1.381 10 10 DDCE CN1CCN(C[C@H](O)COc2ccc(N3CCCC3)cc2)CC1 840759912 MCDCIMQPHKPKGA-KRWDZBQOSA-N 319.449 1.274 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2NCCCC2(C)C)cc1 841846203 KVNPZIIEHQIABF-HZPDHXFCSA-N 318.465 1.647 10 10 DDCE O=C(C[C@H]1CCCS(=O)(=O)C1)NCc1c(O)cccc1F 928705004 BXQKUEDUQOVHRP-SNVBAGLBSA-N 315.366 1.362 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CC[C@H](Nc2ncccn2)CC1 924362807 FNVUFRPVWJITKX-HAQNSBGRSA-N 305.334 1.149 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCCO3)C2)cc1 855227596 YLCRTWGSSVBXCO-XJKSGUPXSA-N 304.390 1.959 10 10 DDCE Oc1ccc(Cl)c(F)c1CNC1CN(c2ccncn2)C1 865748868 GXORNNNHOPOZLB-UHFFFAOYSA-N 308.744 1.953 10 10 DDCE CO[C@@H]1COCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1O 868666692 HKBYBJGJVSELIQ-SLEUVZQESA-N 308.378 1.804 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCN(C2CCC2)C1=O 863836405 XNNMQJALCBZARC-VUDGCMKMSA-N 316.357 1.381 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cc(O)ncn3)C2)cc1 862159353 RMJHOTKJQRQFBD-NSHDSACASA-N 314.345 1.200 10 10 DDCE CC(=O)C(=O)COC(=O)c1c(C(F)(F)F)nc2n1CCCC2 1118412715 NCDFRUWAESAQHU-UHFFFAOYSA-N 318.251 1.553 10 10 DDCE O=C1[C@H]2COC[C@H]1CC(C(=O)N1Cc3cccc(O)c3C1)C2 1118995712 JPMGUZKTQSAZSE-CHWSQXEVSA-N 301.342 1.476 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](C2OCCO2)C1 1542760420 ASKUSXVMGUMERR-GFCCVEGCSA-N 307.346 1.252 10 10 DDCE CN[C@H](c1ccc(N(C)C)cc1)c1nc(Br)nn1C 2116537620 MDGXUIWWMHSRAC-LLVKDONJSA-N 324.226 1.952 10 10 DDCE O=C(CCc1nc2cccnc2[nH]1)NCc1cc(O)ccc1O 1176748465 SUSVATGSOCCMJW-UHFFFAOYSA-N 312.329 1.618 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1C[C@H]1C 1327679833 WWJDULVHNBJIRN-OCCSQVGLSA-N 304.390 1.903 10 10 DDCE C[C@@H]1NCC[C@H]1NCc1ccc(N2CCN(C)CC2)c(F)c1 1331839951 OSLPVEISJUSCDT-XJKSGUPXSA-N 306.429 1.418 10 10 DDCE COC(=O)[C@@H](C)S(=O)(=O)N1CCCC[C@H](CN=[N+]=[N-])C1 1912189740 YFDZBGRALSUCMF-NXEZZACHSA-N 304.372 1.290 10 10 DDCE CN(C)c1ccc(CNC(=O)c2nc3ncccn3n2)cc1F 1519266512 VXYOWFDGUONLBC-UHFFFAOYSA-N 314.324 1.259 10 10 DDCE CS[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1N(C)C 1624322599 GBYDCYJRBWYCDO-SMDDNHRTSA-N 310.419 1.144 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCC2(C(N)=O)CCCC2)cc1 1627832009 NPEUFPFALPPDJX-UHFFFAOYSA-N 317.349 1.625 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCC2(CCOCC2)O1 1558624538 DNRORBFTUFSTHG-ZDUSSCGKSA-N 321.373 1.485 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@H]1CC(c2ccccn2)=NO1 1647291356 YJNDAFAZMDKSSF-OAHLLOKOSA-N 313.313 1.302 10 10 DDCE C[C@H]1CN([C@@H](C)CNC(=O)Cc2ccc(O)c(O)c2)C[C@@H](C)O1 1640263908 YFMGQLHTUNSYLW-RWMBFGLXSA-N 322.405 1.254 10 10 DDCE Cc1nc(O)nc(O)c1CC(=O)N[C@@H](C)c1ccccc1O 1587451068 HBVZKSDLCZTCSR-QMMMGPOBSA-N 303.318 1.322 10 10 DDCE CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1N=[N+]=[N-] 5743392 WCSBCLMCXJSBOJ-XNJGVTPASA-N 307.306 1.512 10 10 DDCE COC(=O)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865783755 GMRJRFVDMHWXLF-UHFFFAOYSA-N 323.304 1.964 10 10 DDCE C[C@H](CC(N)=O)N(C)Cc1cccc(Br)c1O 1946073558 LGRQOISRHAGYRI-MRVPVSSYSA-N 301.184 1.850 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)c1ccc(O)c(O)c1 1962353139 HSYKRZUHFBFZFJ-UWVGGRQHSA-N 308.334 1.493 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CN(CCN=[N+]=[N-])CCN2C1=O 1982246130 QILYBBHBTDXVGT-GHMZBOCLSA-N 324.385 1.107 10 10 DDCE CNC(=O)[C@@H](C)NCc1cc(Br)cc(F)c1O 715759371 MOXJHUMUIKBTOG-ZCFIWIBFSA-N 305.147 1.518 10 10 DDCE CC(C)(C)C[C@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 393577384 XIOHXNSNYQYQCM-CYBMUJFWSA-N 300.424 1.485 10 10 DDCE CN(C)C(=O)C1CCC(C(=O)Nc2ccc(O)c(O)c2)CC1 2062160394 HVNHEQZKVUZEGI-UHFFFAOYSA-N 306.362 1.931 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)C[C@@](C)(F)CN 2164487424 MDOPIXIJZKUYQU-MFKMUULPSA-N 304.387 1.402 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@H](O)[C@H](O)C2)cc1Br 2068405687 HPIAGOJLUYIGFO-OXHMUOHRSA-N 316.195 1.434 10 10 DDCE C[C@@]1(O)CCN(c2ccc(CO)c(Br)c2)C[C@H]1O 2077306753 XWYVMFYQSYNSKE-CHWSQXEVSA-N 316.195 1.263 10 10 DDCE CS(=O)(=O)C[C@H]1CCN(c2ccc(CO)cc2Cl)C1 2087365193 TULUPSMUXXVARM-NSHDSACASA-N 303.811 1.703 10 10 DDCE OC[C@@H]1NC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]21 2235567735 QBURHBYFQKEANP-XWIASGKRSA-N 317.216 1.711 10 10 DDCE Cc1cc([C@H](C)O)ccc1N1CCSC[C@H]1S(C)(=O)=O 2240828054 AGERAZZARPWJJE-SMDDNHRTSA-N 315.460 1.972 10 10 DDCE Oc1cc(Br)ccc1CN[C@H]1COC2(COC2)C1 2258432534 XPXJPJCSXAQXLE-LLVKDONJSA-N 314.179 1.802 10 10 DDCE CN=c1cc(C(=O)NCc2cnc(SC)s2)nc(C)[nH]1 2284716626 ZUJPXLLHNXYOJD-UHFFFAOYSA-N 309.420 1.357 10 10 DDCE CC[C@H](C)NC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O 2297315624 OGAKDKXSGLVRCZ-NSHDSACASA-N 301.346 1.537 10 10 DDCE COC(=O)C=Cc1ccc(N(C)CCN(C)C)c([N+](=O)[O-])c1 2297764322 NEMFBOITUJKMPR-UHFFFAOYSA-N 307.350 1.779 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NCC(=O)Nc1ccccc1 2307986631 NERZXQMZBJYWMW-UHFFFAOYSA-N 312.325 1.866 10 10 DDCE Cc1ccc(CNC[C@]2(O)CCOC2)c(O)c1Br 2327612155 JJBWGMSUOYWLEX-CYBMUJFWSA-N 316.195 1.704 10 10 DDCE CN(Cc1ccccc1O)C(=O)N[C@H]1CCCn2ncnc21 176609481 JQMIWAHMAUIRIG-LBPRGKRZSA-N 301.350 1.660 10 10 DDCE CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O)[C@H]1N=[N+]=[N-] 32106887 WCSBCLMCXJSBOJ-WNWFYDSVSA-N 307.306 1.512 10 10 DDCE NC(=O)NC(=O)CN(Cc1ccco1)Cc1ccccc1O 70975415 UDFGBPNKWOBMNR-UHFFFAOYSA-N 303.318 1.182 10 10 DDCE CO[C@@H]1CCC[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 70490823 CPSFYMVFBZIAPJ-ZIAGYGMSSA-N 314.407 1.135 10 10 DDCE CCc1nnc2sc([C@@H](N)Cc3ccc(O)c(O)c3)nn12 133443489 RIHHQONMSQISBD-QMMMGPOBSA-N 305.363 1.402 10 10 DDCE C[C@H](NCC1(C(N)=O)CCOCC1)c1ccc(F)c(F)c1O 191201315 PGLIUEBFZVDABP-VIFPVBQESA-N 314.332 1.603 10 10 DDCE COc1ccc(CN(C2CC2)[C@@H](C)CS(C)(=O)=O)c(O)c1 93393125 LKWOOIYTERWJSW-NSHDSACASA-N 313.419 1.798 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 808545012 MOWYZROMHSKAGO-VIFPVBQESA-N 313.350 1.191 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CC1CC1 298799775 SJBYKIODVXMCPZ-UHFFFAOYSA-N 304.390 1.999 10 10 DDCE O=C(O)c1cc(O)ccc1NS(=O)(=O)CC1CC(F)(F)C1 297108544 ZUPZRLINXFEVGM-UHFFFAOYSA-N 321.301 1.877 10 10 DDCE C/C=C\c1ccc(OCC(=O)OCC(=O)C(C)=O)c(OC)c1 808490435 OKLPRLSVBCKHID-PLNGDYQASA-N 306.314 1.808 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 808523852 JPFWRBNYGMNDGE-AWEZNQCLSA-N 317.341 1.187 10 10 DDCE C[C@@H](O)C(=O)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 295440443 ULNKBHMBCTYWLL-SECBINFHSA-N 316.760 1.210 10 10 DDCE Cc1c(C(=O)NCc2ccc(N(C)C)cc2)nn2c1OCCC2 822227027 RPBZZDCRUYUWDG-UHFFFAOYSA-N 314.389 1.970 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1ccnn1C1CCOCC1 830559317 MSCROVLGCUEKCD-UHFFFAOYSA-N 317.345 1.576 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)C[C@H](O)CN1C 900733596 YJLWPIYWPZUOJN-RDJZCZTQSA-N 305.422 1.132 10 10 DDCE CCOc1ccc(O)c(CN2C[C@@H](C)N(CCO)C[C@@H]2C)c1 841891856 QQDZWIVMKSGMJS-KGLIPLIRSA-N 308.422 1.678 10 10 DDCE COc1ccc(N2CCN(C[C@@H]3C[C@H]4COC[C@H]4O3)CC2)cc1 929153094 OVUHLSQFCXIPQB-JCGIZDLHSA-N 318.417 1.621 10 10 DDCE COc1ccc(N(C)CC(=O)N2CCOC(C)(C)C2)cc1OC 929348989 XJSYGNPQCXYUHC-UHFFFAOYSA-N 322.405 1.777 10 10 DDCE CC(C)(C)OC(=O)N1CCNC[C@@H](c2ccc(O)c(O)c2O)C1 1952529753 XHVWMWAWXDYELC-SNVBAGLBSA-N 324.377 1.727 10 10 DDCE COc1ccc(N2CCN(C(=O)C=C3CCNCC3)CC2)cc1 852853970 ARXLBRJCTOESMF-UHFFFAOYSA-N 315.417 1.654 10 10 DDCE C[C@H](O)[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCO1 862393953 AEEXTRFHOLMMPT-ZUZCIYMTSA-N 300.349 1.612 10 10 DDCE COC(=O)c1cnc(SC[C@@H](O)C[C@](C)(O)C2CC2)s1 871981239 OUQQXTZQOXXXKQ-ZANVPECISA-N 317.432 1.934 10 10 DDCE O=C(C(=O)N(CC1CC1)CC1CC1)N1Cc2cccc(O)c2C1 1118950462 VWCRTVREIBFRNA-UHFFFAOYSA-N 314.385 1.883 10 10 DDCE 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Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C1CS(=O)(=O)C1 868888320 BFAOVGSKAIPTDY-GFCCVEGCSA-N 324.446 1.153 10 10 DDCE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)c2c(F)ccc(O)c2O)n1 863945386 ASHZXZCQVNYXNE-QPUJVOFHSA-N 323.280 1.188 10 10 DDCE C[C@@H](NCc1cc(C(N)=O)co1)c1cc([N+](=O)[O-])ccc1O 779069779 ZTVGZGNKCHDOIA-MRVPVSSYSA-N 305.290 1.843 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](c2nn[nH]n2)C1 779533228 COZNKGCNUYWSDX-QZPNVGJNSA-N 315.333 1.030 10 10 DDCE Cc1c[nH]nc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 788200410 TWKYYOGPAZPXDO-UHFFFAOYSA-N 310.335 1.048 10 10 DDCE O[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC(F)(F)C1 787438087 HKOAGSPTPHJAFF-OAHLLOKOSA-N 312.360 1.725 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C(=O)N(C)C)CC1 791341246 WCYVQVGRUMNNMN-UHFFFAOYSA-N 317.433 1.970 10 10 DDCE O=C1CC[C@@H](C(=O)NCc2c(O)cccc2O)n2cccc21 1156885291 CCFSVOAHTFNYCY-LBPRGKRZSA-N 300.314 1.733 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)[C@]1([C@H]2CCCCO2)CCCO1 1346697149 XMFAGRLESBWDMO-NVXWUHKLSA-N 321.373 1.832 10 10 DDCE CN(Cc1c(O)cccc1OC(F)(F)F)[C@H]1COC[C@@H]1O 1615623108 QNYDZRPNIJUDAV-ONGXEEELSA-N 307.268 1.482 10 10 DDCE C[C@@H](NC(=O)c1cc2n(n1)CCC[C@H]2O)c1ccccc1O 1557967812 LQFYHXAKNSPHOO-MEBBXXQBSA-N 301.346 1.907 10 10 DDCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@]2(CCCOC2)O1 1634156942 XGMDLCBYJKMRET-SJCJKPOMSA-N 321.373 1.437 10 10 DDCE CC(=O)NCc1ccc(C(=O)NCc2c(O)cccc2O)cc1 1645360819 KSGPUMKQNYNYLJ-UHFFFAOYSA-N 314.341 1.664 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)C(C)(C)F)cc1C 1571422282 WMPKANROFCAJRJ-ZDUSSCGKSA-N 312.385 1.318 10 10 DDCE C[C@@H](c1cc(Cl)ccc1O)N1CCN(S(C)(=O)=O)CC1 134035479 HKJCMUPGVOMNDD-JTQLQIEISA-N 318.826 1.684 10 10 DDCE CN1CCN(c2ccc(N3C(=O)CSC3=S)cc2)CC1 1860075617 NGMXAZIZXHTYSL-UHFFFAOYSA-N 307.444 1.803 10 10 DDCE COC[C@H](C)OC(=O)COC1CCN(c2ccc(N)cc2)CC1 585879968 MOPKDTPFWKAHGU-ZDUSSCGKSA-N 322.405 1.832 10 10 DDCE CS(=O)(=O)[C@H]1C[C@H](CNCc2cccc(Cl)c2O)C1 1877117688 WZTGDDGFRCBRDU-HOMQSWHASA-N 303.811 1.958 10 10 DDCE CC(C)(C)OC(=O)N[C@H](C(=O)NCCN=[N+]=[N-])C(C)(F)F 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O=S1(=O)C[C@@H]2CCN(Cc3c(O)cccc3Cl)[C@H]2C1 2094883815 ZMPHRZONVZTMAX-CABZTGNLSA-N 301.795 1.665 10 10 DDCE COC[C@]1(C(=O)NCc2cnc(SC)s2)CCNC1 2269206390 ZDMGZTQTPXKGST-LBPRGKRZSA-N 301.437 1.107 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)C1CC2(C1)OCCO2 2263527232 UUHJHQDPKIIRSY-UHFFFAOYSA-N 313.375 1.059 10 10 DDCE CC(=O)N(C)CCN(C)c1ccc(CN)c(Br)c1 2317269660 NVCYSLFDYZBBPK-UHFFFAOYSA-N 314.227 1.822 10 10 DDCE CC(C)c1nc2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2n1 2326110789 YYRQBLHNLFDLAD-UHFFFAOYSA-N 314.414 1.888 10 10 DDCE CO[C@@H]1CN(c2ccc(CN)c(Br)c2)C[C@H]1OC 228157346 FWOKVLYEPLBJGS-CHWSQXEVSA-N 315.211 1.758 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ncnn1C 174281328 ZPWUFPBGBZGLRO-UHFFFAOYSA-N 302.382 1.223 10 10 DDCE CC(=O)N1CCN(c2ccc(CN)c(C(F)(F)F)c2)CC1 37306604 QYODUMCYYTZJGC-UHFFFAOYSA-N 301.312 1.833 10 10 DDCE O=C1[C@H](Cc2ccc(O)c(O)c2)NC(=S)N1c1ccccc1 33753282 BOKLBORREWQWRR-LBPRGKRZSA-N 314.366 1.930 10 10 DDCE CO[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C 189346020 WFPNUBIQICWVQL-YOEHRIQHSA-N 319.449 1.726 10 10 DDCE COc1ccc(N(C)C[C@H](O)CN2CCCC2=O)c(OC)c1 132056407 SMGZNIQTVMMXGN-LBPRGKRZSA-N 308.378 1.123 10 10 DDCE CN(CCCCO)C(=O)NCc1ccc(N2CCOCC2)cc1 276373355 BUSPGIPSXPFGLQ-UHFFFAOYSA-N 321.421 1.437 10 10 DDCE C[C@H]1CN(Cc2cccc(Br)c2O)CC(=O)N1C 800538161 LHSOQLRCRGBHES-VIFPVBQESA-N 313.195 1.817 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1c2n(c(=O)n1C)CCCC2 825481747 TXSGJHIZELLCQM-UHFFFAOYSA-N 315.373 1.501 10 10 DDCE CNCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C 903572746 CWTIBARUDDUJMD-UHFFFAOYSA-N 320.481 1.641 10 10 DDCE CC[S@](=O)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 735113108 SNLAYXJZOXEYAV-NRFANRHFSA-N 311.451 1.663 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCCNC2)cc1 846696891 JIGAMDGYTFTKSC-CQSZACIVSA-N 305.422 1.589 10 10 DDCE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Cc1ccc(N)cc1 843492125 POPLZBCCZJGFLN-XPKDYRNWSA-N 302.374 1.611 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)C(OC)OC)c1 923672267 VANVMJSIHSAIKM-NXEZZACHSA-N 312.366 1.768 10 10 DDCE COC(=O)c1cnc(CN(C)c2ccc3c(c2)OCO3)cn1 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10 10 DDCE CC(C)C[C@@](C)(O)CNS(=O)(=O)Cc1ccc(N)cc1 90267919 YZUCUGQPEAOYOU-CQSZACIVSA-N 300.424 1.485 10 10 DDCE CN(C)/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2F)C1=O 1088700788 ZDGVNWNAQCQAKO-SOFGYWHQSA-N 311.700 1.507 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@H]2CCNC2=O)c(Br)c1 1916798679 GMRSOZDJSQCIJT-UFBFGSQYSA-N 312.211 1.794 10 10 DDCE CO[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[C@H]1C 1324871811 GTMDZYDOZWWMJH-IUODEOHRSA-N 320.389 1.234 10 10 DDCE C[C@@H](NC[C@H](O)CN(C)CC(F)(F)F)c1ccccc1O 1473722396 INGNXDFZZFQZEE-MNOVXSKESA-N 306.328 1.898 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@@H]2COc3ccc(O)cc3O2)c1 1470255031 PGELYWKXSDIKAT-INIZCTEOSA-N 315.325 1.862 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2c(O)cccc2O)cc1 1558533448 BWVBUKARBCSUGR-UHFFFAOYSA-N 301.298 1.814 10 10 DDCE NC(=O)c1ccc(CCC(=O)NCc2ccc(O)cc2O)cc1 1630302300 XBIVYMORTXOARA-UHFFFAOYSA-N 314.341 1.446 10 10 DDCE Cc1noc([C@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)n1 1568801122 MOFLCRYWFSHQIX-LLVKDONJSA-N 303.318 1.695 10 10 DDCE C[C@H](NC(=O)c1ccco1)C(=O)NCc1cc(O)ccc1O 1643881760 DJAURPLMTDSANJ-VIFPVBQESA-N 304.302 1.126 10 10 DDCE CC(=O)Nc1ccc(O)c(C(=O)NCc2ccc(O)cc2O)c1 1570462424 SKZLLADNJWVGNF-UHFFFAOYSA-N 316.313 1.692 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccnc(-n2cncn2)c1 1570462229 KKWVQLCPKPRIRC-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE CCc1nnc(N(C)Cc2ccccc2O)n1CC(C)(C)O 1744548993 MVGIVIVAVNLXJZ-UHFFFAOYSA-N 304.394 1.953 10 10 DDCE C[C@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N=[N+]=[N-])C1 1888177387 JAVNAIMUNZNDQC-CBAPKCEASA-N 301.322 1.759 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3C[C@@H](O)[C@H]3C2)cc1Br 2033969664 AUQCGIYZFKPYRA-MWODSPESSA-N 315.186 1.864 10 10 DDCE Oc1ccc(Br)cc1CN[C@@H]1CO[C@H]2COC[C@@H]12 2040327305 WQKXTAYDTLDGLO-LOWVWBTDSA-N 314.179 1.658 10 10 DDCE C[C@H]1CN(c2cc(Br)c(CN)cc2F)CC(=O)N1 387343640 UIZBGOZMJIDMMX-ZETCQYMHSA-N 316.174 1.372 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)[C@@H]1OCCO[C@@H]1C(F)(F)F 2062431426 JJGKSCSLVOGNSW-ZJUUUORDSA-N 307.224 1.383 10 10 DDCE Cn1cnc(Cl)c1CNS(=O)(=O)Cc1ccc(N)cc1 2168136290 AKTRHRWAJLSULR-UHFFFAOYSA-N 314.798 1.275 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@H](CO)c2ccsc2)cc1 2175677021 YRJIDDZRANEDHM-CYBMUJFWSA-N 312.416 1.483 10 10 DDCE C[C@@]1(O)CCN(c2ccc(CN)cc2Br)C[C@@H]1O 2077302505 RCOLYFBLBAAALS-QWHCGFSZSA-N 315.211 1.230 10 10 DDCE NCc1ccc(N2C[C@@H]3C[C@@H]3[C@@H]2CO)c(F)c1Br 2078271049 AQMVPHKQWITAQP-QXEWZRGKSA-N 315.186 1.864 10 10 DDCE NCc1ccc(N2CC[C@]3(CNC(=O)C3)C2)c(Br)c1 2107031620 DKAFQUORSZWDJY-AWEZNQCLSA-N 324.222 1.624 10 10 DDCE CC[C@@]1(C(=O)O)C[C@@H]1C(=O)NCc1cnc(SC)s1 2269122929 ZEPZVMSCLROHCH-PRHODGIISA-N 300.405 1.982 10 10 DDCE Cc1cc(O)cc(C)c1NS(=O)(=O)c1n[nH]c(=N)s1 2231249652 QDOMFYHMSAKRGL-UHFFFAOYSA-N 300.365 1.074 10 10 DDCE CSc1ncc(CN[C@H]2CN(CC(C)C)C[C@@H]2O)s1 2269095112 LGOJYDXKOHFYGP-RYUDHWBXSA-N 301.481 1.656 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)NC1(C(=O)O)CC1 2311974087 ZMTGGXYOTHWXLP-UHFFFAOYSA-N 316.357 1.270 10 10 DDCE COC1(CO)CN(c2ccc(CO)c(Br)c2)C1 1951092238 RVSWQCCCORCEBE-UHFFFAOYSA-N 302.168 1.139 10 10 DDCE C[C@@H](N)c1ccc(N2CCNC(=O)CC2)c(Br)c1 62101110 BYABNLKGKOLPNW-SECBINFHSA-N 312.211 1.795 10 10 DDCE COC[C@@H](O)CN(C)c1ccc(CN)c(Br)c1 228150299 YHQGDCGFCSDLRH-NSHDSACASA-N 303.200 1.351 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(C)CCC(=O)NC1 369182039 DQBOEBZDTNIBEE-KRWDZBQOSA-N 317.389 1.394 10 10 DDCE CN(CCS(C)(=O)=O)c1ccc(/C=C\C(=O)O)c(Cl)c1 379926801 VEXNSQSWTBTXGS-XQRVVYSFSA-N 317.794 1.919 10 10 DDCE COCc1nc([C@@H]2COCCN2Cc2cccc(C)c2O)no1 374801611 OEBPYWBWNXFOJC-ZDUSSCGKSA-N 319.361 1.804 10 10 DDCE Cc1ccc(O)c(CN2CCC(CNS(C)(=O)=O)CC2)c1 289326655 GHWIHLCOEZBMDK-UHFFFAOYSA-N 312.435 1.462 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CCN(CC(F)F)CC1 295328926 TWSZTZGVBCGMFB-UHFFFAOYSA-N 304.268 1.260 10 10 DDCE CN1C[C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)NC1=O 824261357 BKFUFDZACDWTQL-OAHLLOKOSA-N 316.405 1.317 10 10 DDCE O=C1OCCN1C[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 824450880 ALWGIJAJXIQJAB-NSHDSACASA-N 320.345 1.395 10 10 DDCE CCN(OC)C(=O)CNC(=O)N(C)Cc1ccc(N(C)C)cc1 827553174 YUHCSUIXDUKZSL-UHFFFAOYSA-N 322.409 1.304 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCN3C(=O)NC[C@H]3C2)cc1 835030565 ZKCZNAZCXOBYEC-QGZUEGPWSA-N 300.406 1.475 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1cncc(O)c1 588506404 URSUDDHEDZLJSX-MZBZXASESA-N 314.341 1.959 10 10 DDCE COC(=O)[C@H]1C[C@@H](O)CN(Cc2c(O)cc(C)cc2Cl)C1 843433557 DZXLNQDQVQWGEA-WDEREUQCSA-N 313.781 1.710 10 10 DDCE C[C@H]1C[C@H](S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)CCO1 844783147 UMMSKZTYYFYHMG-WCBMZHEXSA-N 315.347 1.400 10 10 DDCE C[C@H]1OCC[C@H]1S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 844783085 RFSMFKDTQWHTLS-RDDDGLTNSA-N 301.320 1.010 10 10 DDCE Cc1cc(O)c(CNC[C@@]2(OCCO)CCOC2)c(Cl)c1 850358246 MDFJRCWLVYMEDL-HNNXBMFYSA-N 315.797 1.612 10 10 DDCE CN1C[C@@H](CCNCc2cc(F)c(N(C)C)cc2F)CC1=O 922484750 OSNXGIAFXCWHNB-NSHDSACASA-N 311.376 1.989 10 10 DDCE CC[C@H](CS(=O)(=O)NNc1nc2cccnc2s1)OC 857225899 WSCJQLPHRNQLIO-MRVPVSSYSA-N 316.408 1.363 10 10 DDCE CO[C@H](CNC(=O)NCCc1ccc(N)cc1)[C@@H]1CCOC1 851662220 CRYNUSGFTUQSGF-UKRRQHHQSA-N 307.394 1.162 10 10 DDCE O=C(CCCCN1CCOCC1)NCc1c(O)cccc1F 928709189 XXELTJYBOTVGFD-UHFFFAOYSA-N 310.369 1.650 10 10 DDCE CCO[C@@H](CNCc1ccc(N2CCOCC2)cc1)CN(C)C 922759606 ILCDYOLNQOQMKX-SFHVURJKSA-N 321.465 1.580 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC2CCC(C(N)=O)CC2)c1 756706587 ULUBQZPIYFJVHU-ZBOXLXRLSA-N 320.389 1.874 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1[C@H]2COC[C@H]21 854988032 ONUSLEGRXGBXGJ-VIKVFOODSA-N 319.357 1.176 10 10 DDCE NC(=O)[C@H]1C[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 858772073 BCTKTNOYHGGPTO-HAQNSBGRSA-N 317.389 1.334 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@]3(C)CNC[C@]3(C)C2)c1O 863649593 AWVCHSXUGDQAGD-IYBDPMFKSA-N 321.377 1.740 10 10 DDCE CN(C)c1ccc(CNC(=O)NCC2(N)CCOCC2)cc1F 861570707 JSOUTEIQQVJJGN-UHFFFAOYSA-N 324.400 1.199 10 10 DDCE COC[C@]1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 863342505 FBTCCMHRPMRSHA-HOCLYGCPSA-N 309.362 1.055 10 10 DDCE Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](O)[C@H](C)O)cc1 871122903 PJPPMJNKBSBQMX-BBRMVZONSA-N 302.374 1.566 10 10 DDCE CN1CCN(c2ccc(CN3CCN(C4CC4)CC3)cc2)CC1 775648943 JIOYWHKIXJZZFG-UHFFFAOYSA-N 314.477 1.718 10 10 DDCE CC(C)[C@@H](CO)ONC(=O)c1cc2cc(O)c(O)cc2s1 897953420 VKKLSZWZZDOOKS-LLVKDONJSA-N 311.359 1.991 10 10 DDCE Nc1ccc(CS(=O)(=O)NCc2cnc(Cl)s2)cc1 718191359 VDNWISZEGHRFMK-UHFFFAOYSA-N 317.823 1.998 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N1CCCC[C@H]1C1OCCO1 2132399159 CSRZYAGVJZCAKM-JTQLQIEISA-N 309.318 1.171 10 10 DDCE COC(=O)COc1ccc(N(C)Cc2nn(C)cc2C)cc1 1354595474 UZEWWIQMNVGLAS-UHFFFAOYSA-N 303.362 1.917 10 10 DDCE CC(=O)C(=O)[C@]1(O)CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]1C2 1919217891 SQMRLHLLKVBRTO-MKBNYLNASA-N 311.378 1.685 10 10 DDCE C[C@H](CC(=O)OC(C)(C)C)NC(=O)Cc1ccc(O)c(O)c1 1542947580 KLUOSTKSTOHSSO-SNVBAGLBSA-N 309.362 1.877 10 10 DDCE C/C=C(\C)C(=O)NC[C@@H](O)CNCc1ccc(OC)c(C)c1 1482717828 CNDQNLLVUNOOKR-LYOQKUPSSA-N 306.406 1.537 10 10 DDCE O=C1C[C@H](C(=O)NCc2c(O)cccc2O)[C@@H]2CCCC[C@@H]2N1 1558535057 DEUYZGNENIDHHE-GVXVVHGQSA-N 318.373 1.409 10 10 DDCE CCCC(=O)N1CCCC[C@H]1C(=O)NCc1c(O)cccc1O 1558534192 PJDUNORDMJTZII-ZDUSSCGKSA-N 320.389 1.895 10 10 DDCE CC[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H](C)[S@@]1=O 1556555384 FVKDHGHSULJTHE-VPOQAHPWSA-N 311.403 1.398 10 10 DDCE C[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc(N=NC(N)=O)cc1 1633197806 JBAUFUGBYVEHPV-SECBINFHSA-N 303.322 1.152 10 10 DDCE COc1ccc(CNCCN(C)C(=O)Cc2ncc[nH]2)cc1C 1493743124 WASJDUQMLZKURT-UHFFFAOYSA-N 316.405 1.517 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccc([N+](=O)[O-])cc1O 1637046307 OVEVLHAVXWGVFR-UHFFFAOYSA-N 304.258 1.642 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@H]2CCCOC2)cc1C 1731896383 IDBGZOBWAFSTGS-INIZCTEOSA-N 320.433 1.978 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCc3nccnc3C2)cc1 1641384688 YQIAYVQRVIWSBR-UHFFFAOYSA-N 310.317 1.838 10 10 DDCE CN(Cc1ccccc1O)C(=O)NCCS(=O)(=O)C1CC1 1686793006 BMDACKOTSQIQRE-UHFFFAOYSA-N 312.391 1.111 10 10 DDCE NOCCNC(=O)CCn1c2c(c3ccccc31)CCCC2 1851358723 CIGYEIPJVUKMFB-UHFFFAOYSA-N 301.390 1.917 10 10 DDCE CC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865939303 NCSPBGVNCDLLKQ-QGZVFWFLSA-N 317.433 1.985 10 10 DDCE NC1CC(S(=O)(=O)Nc2ccc(O)c(C(F)(F)F)c2)C1 2152903661 BVZIQWXJFJLLBR-UHFFFAOYSA-N 310.297 1.642 10 10 DDCE C[C@H]1CCN(c2ccc(CO)cc2Br)[C@@H]1C(N)=O 2029790401 ZEZJOCJPGBDIKJ-UFBFGSQYSA-N 313.195 1.642 10 10 DDCE CNCc1ccc(N2CC(OCCO)C2)c(Br)c1 2034842415 KXKZOYWVCXPQPN-UHFFFAOYSA-N 315.211 1.366 10 10 DDCE COC1(CO)CN(c2ccc(CN)c(Br)c2F)C1 2039551360 DZTGPVGXTGJSTP-UHFFFAOYSA-N 319.174 1.244 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1COCC[C@@H]1O 710920277 GCWKMGPEKBHEEY-MNOVXSKESA-N 302.168 1.394 10 10 DDCE CC[S@](C)(=O)=NS(=O)(=O)CCOc1ccc(N)cc1 395774149 IYLZKYNJPOPVRB-SFHVURJKSA-N 306.409 1.095 10 10 DDCE COCCNCc1ccc(N(C)CC[S@](C)=O)c(F)c1 399111748 WIJXSBGNBDZSSR-FQEVSTJZSA-N 302.415 1.376 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCc3nc(C)c(C)s3)c2n1 2062166858 URHGMJNIOCKTQW-UHFFFAOYSA-N 317.374 1.747 10 10 DDCE CCN(C(=O)c1cnn2c(O)cc(C)nc12)c1cnn(C)c1 2063257125 GFFPPFVXWGLXET-UHFFFAOYSA-N 300.322 1.144 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@]3(C)CCCC[C@@H]3O)c2n1 2064057546 ZIEDWWVZOWQPPE-LRDDRELGSA-N 318.377 1.414 10 10 DDCE NCc1ccc(N2CCNC(=O)C23CC3)c(Br)c1 2068292655 AYZULRBAOGGQTF-UHFFFAOYSA-N 310.195 1.377 10 10 DDCE Cc1nc(O)sc1S(=O)(=O)Nc1ccc(O)cc1F 2089618904 RNBMYAQSUCMBGZ-UHFFFAOYSA-N 304.324 1.803 10 10 DDCE CN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)NC1=O 2114733588 XSBQMVVDLPPALJ-VIFPVBQESA-N 303.145 1.546 10 10 DDCE CCN(CCS(C)(=O)=O)c1ccc(OC)cc1CCN 2235970742 TYJDTOGIOJNQTD-UHFFFAOYSA-N 300.424 1.067 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H](C)N[C@H](C)C2)s1 2269090440 MTMATXQSEQHVMU-DTORHVGOSA-N 300.453 1.757 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](CC2CC2)C(=O)O)s1 2284509335 VNUCSDJWAUODKW-SECBINFHSA-N 315.420 1.918 10 10 DDCE CSc1ncc(CNCC2(C(=N)NO)CCOCC2)s1 2284682921 JVCMYQCDRVLEEH-UHFFFAOYSA-N 316.452 1.707 10 10 DDCE C[C@@H](O)[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2)SC1=S 2323823745 JKLFVMXMZRVBBP-KCJUWKMLSA-N 323.395 1.722 10 10 DDCE Cc1ccc(CN[C@H]2COC[C@H]2CO)c(O)c1Br 2327796371 GMASXHANBIFKBY-MNOVXSKESA-N 316.195 1.560 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCN(C[C@H]3CCOC3)CC2)c1 178822243 ALLUBBUPTWPRRP-CYBMUJFWSA-N 321.377 1.455 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cccc(-n2ccnc2)n1 182533451 RBFPYGSLONFLCZ-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CO[C@@H](C)CCS(=O)(=O)CCCOc1ccc(N)cc1 2362079830 HRJZAOHHQFXPLA-LBPRGKRZSA-N 301.408 1.878 10 10 DDCE CO[C@H](C)CCS(=O)(=O)CC(=O)c1ccc(O)c(O)c1 2362085340 YJWIUQVANAACAE-SECBINFHSA-N 302.348 1.120 10 10 DDCE CC(C)(C)OC(=O)NCCNC(=O)CCOc1ccc(N)cc1 230013444 HUFXGLDOLXJZTN-UHFFFAOYSA-N 323.393 1.679 10 10 DDCE Cc1c(/C=C\C(=O)N(CCC(N)=O)c2ccccc2)cnn1C 255070333 YWIKFSFNZZQIPJ-HJWRWDBZSA-N 312.373 1.650 10 10 DDCE Nc1nonc1N=NN(Cc1ccccc1)c1nonc1N 254407599 SSYSMSWHSDLGNU-UHFFFAOYSA-N 301.270 1.323 10 10 DDCE CC(=O)C(=O)COC(=O)c1nn(-c2c(F)cccc2F)cc1C 808539331 AUUYCUDBSVYTMJ-UHFFFAOYSA-N 322.267 1.774 10 10 DDCE N[C@H]1CCC[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 817934387 FXWCTOPTWFOEHQ-GJZGRUSLSA-N 311.376 1.771 10 10 DDCE CN1CC2(CN(Cc3c(O)ccc(Cl)c3F)C2)OC1=O 817415887 IIMKFFWUBLXZEA-UHFFFAOYSA-N 300.717 1.821 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1Cc2cccc(O)c2C1 828325461 ABANOQWOUVFZEP-GFCCVEGCSA-N 322.361 1.120 10 10 DDCE C/C=C/[C@H](O)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 900293447 HJKOAULODHKHJD-WMHVBEDNSA-N 304.390 1.671 10 10 DDCE Oc1cc2c(cc1CN1C[C@H]3CC[C@H]1[C@@H]1CNC[C@@H]31)OCO2 903962568 KIAWPIQUQGFTJE-CABNGKKXSA-N 302.374 1.551 10 10 DDCE COCCN1CCC[C@@H]1CNC(=O)NCc1ccccc1O 732457901 BSOQLLVPFQEJKD-CQSZACIVSA-N 307.394 1.302 10 10 DDCE COC(=O)[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@H](C)O1 844736689 DZEGXCGHGGMQGH-ZBEGNZNMSA-N 305.374 1.643 10 10 DDCE CCOC(=O)c1cnn2c(O)cc(CN3CC4CC3(C)C4)nc12 852785862 IDNCUQJDEYTTBJ-UHFFFAOYSA-N 316.361 1.596 10 10 DDCE O=C(O)[C@]12COC[C@H]1CN(Cc1c(O)ccc(Cl)c1F)C2 854242413 LFHOMTGCMYBYSF-XLKFXECMSA-N 315.728 1.718 10 10 DDCE C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C)C1=O 852474890 WLLHOLKYHMHROB-ZIAGYGMSSA-N 317.433 1.526 10 10 DDCE CSCC[C@@H](O)C(=O)NCc1ccc2cccnc2c1O 862026964 FKZZIFNJSDJFJN-GFCCVEGCSA-N 306.387 1.671 10 10 DDCE COc1ccc(N2CCN([C@H]3CCCNC3=O)CC2)cc1F 766913440 MFBMOTLJCFHUQV-AWEZNQCLSA-N 307.369 1.235 10 10 DDCE C[C@@]1(CNC(=O)Cc2ccc(O)c(O)c2)CCO[C@@H]1C1CC1 1153798466 YWIJUFQJUJUOEX-SJORKVTESA-N 305.374 1.962 10 10 DDCE Cc1cncn1CC(=O)NCc1cccc(Br)c1O 1156792468 NXKALXHVEZTBBP-UHFFFAOYSA-N 324.178 1.976 10 10 DDCE CS(=O)(=O)[C@@H]1CSCCN1c1c(F)cc(CN)cc1F 90923177 AGJXSCZGTSFFBS-LLVKDONJSA-N 322.402 1.347 10 10 DDCE Cc1nccn1CC(=O)NCc1cccc(Br)c1O 1156793524 YTVZMKJIOHZJEC-UHFFFAOYSA-N 324.178 1.976 10 10 DDCE O=C(C(=O)N1CC(C2CCCC2)C1)N1Cc2cccc(O)c2C1 1329422721 DZEJBTNDGCOUOD-UHFFFAOYSA-N 314.385 1.883 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 1912191762 VUKKVBXRVODCKK-WDEREUQCSA-N 300.384 1.360 10 10 DDCE O=C(CCCCCO)NCc1ccc(N2CCOCC2)cc1 1442238057 YBVGFBCODWTAGN-UHFFFAOYSA-N 306.406 1.692 10 10 DDCE CCC(=O)N1CCCC[C@H]1C(=O)NCc1cc(O)ccc1O 1455357158 PBBKHKPUJXXIIP-ZDUSSCGKSA-N 306.362 1.505 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@]2(CCSC2)C1 1299793927 CSXJPCRJDDJZMG-OAHLLOKOSA-N 309.387 1.375 10 10 DDCE CN1C[C@@H]2CC[C@@H](NC(=O)N3Cc4cccc(O)c4C3)[C@H]2C1 1521372216 FDOOPUKTYLKWPB-KCQAQPDRSA-N 301.390 1.758 10 10 DDCE CN[C@H]1C(=O)Nc2cc(N3CC(F)C3)c(Br)cc21 1916993450 XYYBODAXHZLMBQ-LLVKDONJSA-N 314.158 1.820 10 10 DDCE Cn1nc(CC(=O)NCc2ccc(O)cc2O)c2ccccc21 1469159644 LJGSADYEEYANEH-UHFFFAOYSA-N 311.341 1.843 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)CC(C)(C)O)cc1C 1713307793 VMLCFEMNJHOUHD-CYBMUJFWSA-N 308.422 1.759 10 10 DDCE C[C@@H]1CCc2[nH]nc(C(=O)NCc3c(O)cccc3O)c2C1 1558536172 VLDPAAWKDYAQJD-SECBINFHSA-N 301.346 1.876 10 10 DDCE C[C@@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1ccccc1O 1632246142 BRCQEGTZVPVNRH-GFCCVEGCSA-N 323.352 1.980 10 10 DDCE O=Cc1cccc(OCC(=O)NCc2ccc(O)cc2O)c1 1638353027 ZNPJQVCHGGMUGB-UHFFFAOYSA-N 301.298 1.606 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@H]1COc2ccc(O)cc2O1 1633598983 JWPBDTYLAHXEEY-OAHLLOKOSA-N 317.297 1.260 10 10 DDCE O=C(NCc1c(O)cccc1O)c1c[nH]nc1[C@@H]1CCCO1 1635851202 ZETQWXAPVCURRH-ZDUSSCGKSA-N 303.318 1.602 10 10 DDCE CC(=O)C(=O)[C@](C)(O)c1ccc(I)cc1 1929123846 GYJWZTZBVGFCLX-LLVKDONJSA-N 318.110 1.657 10 10 DDCE O=C(Cn1cc(-c2ccccc2)nn1)NCc1c(O)cccc1O 1597574158 IWUYNYLMXFXHLZ-UHFFFAOYSA-N 324.340 1.673 10 10 DDCE NC(=O)CC1CC(NC(=O)NCc2cccc(Cl)c2O)C1 1685129435 HVYLSGKPUXZWTA-UHFFFAOYSA-N 311.769 1.499 10 10 DDCE CC(C)NCc1ccc(N2CCN(CCO)CC2)c(Cl)c1 163961482 VKMUBZRWKDYWLO-UHFFFAOYSA-N 311.857 1.952 10 10 DDCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CC[C@@H]1OCc1ccccc1 1934880712 XUBUMLZIZYUWJT-DZGCQCFKSA-N 303.366 1.880 10 10 DDCE C[C@@H](NCC(C)(C)NS(C)(=O)=O)c1c(O)cccc1O 235207630 BNHSYBUISAXVHU-SECBINFHSA-N 302.396 1.076 10 10 DDCE C[C@@H](O)c1ccc(N2CC(O)(CO)C2)cc1Br 2004522893 NPFRFXADRFDIEU-MRVPVSSYSA-N 302.168 1.046 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)c1ccc(CN)c(F)c1F 2170568040 RUVCBEPYXBSYTB-SECBINFHSA-N 306.378 1.683 10 10 DDCE CC[C@H](NS(=O)(=O)CCOc1ccc(N)cc1)C(F)F 2178795015 SEBZJFIJQIXGBB-NSHDSACASA-N 308.350 1.611 10 10 DDCE COc1ccc(N2CC3(CNC3)C2)c(OC)c1Br 2044503594 QOAYCHVWQPCENV-UHFFFAOYSA-N 313.195 1.876 10 10 DDCE Nc1ccc(CNS(=O)(=O)c2cc(N)ccc2Cl)cc1 2191637042 GFDYOZDUDAPYTC-UHFFFAOYSA-N 311.794 1.983 10 10 DDCE OCc1ccc(N2CCO[C@H]3COC[C@@H]32)cc1Br 2072505619 DQLVDCPZNICBOH-STQMWFEESA-N 314.179 1.545 10 10 DDCE COc1cn(Cc2cnc(SC)s2)c(C(=O)O)cc1=O 2284503860 HLCKBHPVAAULHK-UHFFFAOYSA-N 312.372 1.782 10 10 DDCE CSc1ncc(Cn2cncc2[C@]2(C)COCCN2)s1 2284713704 RAWKTHCOOUPIRR-ZDUSSCGKSA-N 310.448 1.945 10 10 DDCE CN1C(=O)[C@H]2C[C@H]1CCN2c1ccc(CN)c(Br)c1 2335689124 MPEWWFLRSJFVRZ-ZWNOBZJWSA-N 324.222 1.717 10 10 DDCE COc1ccc(N2CCN(C(=O)c3n[nH]nc3C)CC2)cc1 74702868 DQTZCUMFFBZNPE-UHFFFAOYSA-N 301.350 1.084 10 10 DDCE Cc1nc(S(=O)(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])c(Cl)n1C 2364150711 JDKDNARVSJDCOW-JGVFFNPUSA-N 318.790 1.892 10 10 DDCE CN1CCC(CCNS(=O)(=O)Cc2ccc(N)cc2)CC1 229934093 RTEGODPEHIZHAP-UHFFFAOYSA-N 311.451 1.420 10 10 DDCE COc1cc(Cl)c(N2C[C@H](O)C[C@]2(C)CO)c(OC)c1 2368268953 DVWQKTZEPDXQPI-YMTOWFKASA-N 301.770 1.679 10 10 DDCE Nc1ccc(CCNC(=O)c2coc([C@@H]3CCCNC3)n2)cc1 43215794 PBGJOFRXEFXAAM-CYBMUJFWSA-N 314.389 1.696 10 10 DDCE CC1CCN(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)CC1 48847228 JPQGIROCPLEELN-UHFFFAOYSA-N 314.363 1.479 10 10 DDCE Cc1cc(O)c(CN2CCC[C@H](CS(N)(=O)=O)C2)cc1C 271190325 PFMITKKLKRTKDO-ZDUSSCGKSA-N 312.435 1.510 10 10 DDCE CCOc1ccc(O)c(CN2CCOC[C@H]2c2ncon2)c1 374827291 MUINHSXRMHUBNR-ZDUSSCGKSA-N 305.334 1.747 10 10 DDCE COc1ccc(O)c(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c1 827544963 POHJSOLGCZUMHW-CYBMUJFWSA-N 307.394 1.589 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN(C)C2=O)c1 825737244 WSUVDUKSWKFKON-CMPLNLGQSA-N 306.362 1.446 10 10 DDCE C[C@H](O)[C@H]1CN(Cc2ccc(Br)cc2O)CCO1 826123094 GITKZHUEMOHKOX-TVQRCGJNSA-N 316.195 1.736 10 10 DDCE CC[C@H](O)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 822268420 AUJKHOXDYKSBFP-INIZCTEOSA-N 306.406 1.643 10 10 DDCE CN(C)c1ccc(CNC(=O)NC2CC(CC(N)=O)C2)cc1 902899895 XNKDNOGSCYEUGA-UHFFFAOYSA-N 304.394 1.206 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@H]2CCCS2(=O)=O)cc1 835041881 OUBLPCAJWXBJID-LLCTXKFZSA-N 308.447 1.933 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn2c(n1)CCC2 843852579 XSMLPTDMJVJYER-JTQLQIEISA-N 301.346 1.602 10 10 DDCE C[C@H]1CNCC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 841759745 IBAXRNBBEAHKJV-FZMZJTMJSA-N 308.401 1.689 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)CC(C)C)C2)cc1 852844481 VBRQGCVJTFVVIN-BBRMVZONSA-N 305.422 1.764 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3nc(C)ns3)C2)cc1 853817789 MYRFJIJGMBGVDP-LLVKDONJSA-N 318.402 1.864 10 10 DDCE COc1ccc(O)c(CNC(=O)c2nc([C@H]3C[C@H]3C)no2)c1 865937781 ZEDWTPPGDBSYSY-KCJUWKMLSA-N 303.318 1.837 10 10 DDCE O=C1OC[C@@]2(CN[C@H]3CCc4cccc(O)c43)COCCN12 866521299 LLMLDDAUSYCDBM-BLLLJJGKSA-N 304.346 1.190 10 10 DDCE COc1cccc(CNC(=O)/C=C\COC2CCOCC2)c1O 866763561 LVUDJFFQKKWWHK-UTCJRWHESA-N 321.373 1.769 10 10 DDCE Cc1cc(C(=O)N[C@H]2C[C@H](C(N)=O)C2)c(C)n1-c1ccccn1 862819017 HQOAYQZATMSTPQ-JOCQHMNTSA-N 312.373 1.483 10 10 DDCE CC(=O)C1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)CC1 1119014009 WOKJMJOZHMQIFC-UHFFFAOYSA-N 318.373 1.178 10 10 DDCE C[C@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccc(N(C)C)cc1 773317383 WTBBECSIKDIWQQ-GXTWGEPZSA-N 318.421 1.734 10 10 DDCE O=C(NCC(=O)N1Cc2cccc(O)c2C1)OCC(F)(F)F 871202742 NBIYGKCKUMKBQQ-UHFFFAOYSA-N 318.251 1.523 10 10 DDCE CCn1cnc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 775285946 FVHKLFYETCRZJB-UHFFFAOYSA-N 312.307 1.318 10 10 DDCE COc1ccc(CNC(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c(O)c1 897918738 ICCHZQNKROXARD-MIBAYGRRSA-N 304.346 1.376 10 10 DDCE O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(O)c1O 790598674 MWBBUVSSAPXQJO-MRVPVSSYSA-N 304.268 1.464 10 10 DDCE COC(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)o1 1156493032 MGZZEOUASZEVME-UHFFFAOYSA-N 305.286 1.336 10 10 DDCE CC(=O)Nc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 1153879567 QMIBAHZWSFXGMK-UHFFFAOYSA-N 300.314 1.986 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3occc3N)C2)cc1 1327579345 SGKYKGWEQVLBSG-NSHDSACASA-N 301.346 1.879 10 10 DDCE O=S1(=O)C[C@H]2[C@@H](CNCc3c(O)cccc3Cl)[C@H]2C1 2117981197 ICLGZZVBHAZVGY-GUDFOSOFSA-N 301.795 1.426 10 10 DDCE Cc1ccc(CNCC[S@](C)=O)c(O)c1Br 1905144457 RSCXRQKEQFEGPE-INIZCTEOSA-N 306.225 1.931 10 10 DDCE COC(=O)[C@H](NCCN=[N+]=[N-])c1c(OC)nsc1OC 1912153424 BLWTVZUHBUWQTP-SSDOTTSWSA-N 301.328 1.274 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1cc(O)nc(C2CC2)n1 1455661673 JCDQCQDXILKCIN-UHFFFAOYSA-N 315.329 1.330 10 10 DDCE CO[C@H](C(=O)NCc1c(O)cccc1O)C(=O)OC(C)(C)C 1472063304 GYFJRGVJRJIIST-GFCCVEGCSA-N 311.334 1.071 10 10 DDCE NC(=O)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1628502436 PZOHNFRRKNVVMH-ZDUSSCGKSA-N 314.341 1.373 10 10 DDCE CNC(=O)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1624137586 LYQGXLUTIZSBFA-UHFFFAOYSA-N 314.341 1.568 10 10 DDCE CC(C)CN1CC[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1636266378 VOTSFNGDZCADOW-CQSZACIVSA-N 306.406 1.734 10 10 DDCE COC(=O)N(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1633021852 CDJVSBIUKFYUFC-UHFFFAOYSA-N 307.310 1.277 10 10 DDCE NC(=S)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1 1630302381 ZULVNXJHOZCRAF-UHFFFAOYSA-N 302.355 1.662 10 10 DDCE Cn1ncc(Br)c1CNC(=O)c1cc(O)cs1 1643509568 YOUIXNKWCPKVAG-UHFFFAOYSA-N 316.180 1.880 10 10 DDCE COc1cc(CO)ccc1C(=O)NCc1c(O)cccc1O 1645366664 XOJMKGHZXCOPHJ-UHFFFAOYSA-N 303.314 1.529 10 10 DDCE COc1ccccc1[C@H](O)C(=O)NCc1cc(O)ccc1O 1593882456 YBNJDUPHGAFXAL-HNNXBMFYSA-N 303.314 1.456 10 10 DDCE CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)C(F)(F)F 1598112650 KDTDCAWGOQLJPC-UFBFGSQYSA-N 307.268 1.458 10 10 DDCE Cc1c(OCC(=O)O)c(=O)ccn1CCOc1ccc(N)cc1 1857919476 IVMHRSBXCNZWBL-UHFFFAOYSA-N 318.329 1.281 10 10 DDCE O=S1(=O)C[C@@H]2CN(Cc3c(O)cccc3Cl)C[C@@H]2C1 897618909 LASQLRUMGBDQCI-AOOOYVTPSA-N 301.795 1.522 10 10 DDCE Cc1[nH]nc(CO)c1S(=O)(=O)Nc1ccc(O)cc1Cl 2157766312 GGOPGZDAHWUPDV-UHFFFAOYSA-N 317.754 1.370 10 10 DDCE O=S(=O)(Nc1ccc(O)c(C(F)(F)F)c1)C1CC(O)C1 2173348446 LBSFOWODRSXQOM-UHFFFAOYSA-N 311.281 1.676 10 10 DDCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1Br 2043185561 XBNRLGMKWDCSGI-INTQDDNPSA-N 316.195 1.434 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)C3O)cc1Br 2052756075 ACAVQSOGFAJRCF-BVUQATHDSA-N 311.223 1.986 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H]2[C@H](O)CO)c(Br)c1 2258345899 NCIYCWBEXCVWON-AQUOVQTQSA-N 315.211 1.401 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H](CCF)C(=O)O)s1 2269136479 YWVDQAYHPAEYFY-ZETCQYMHSA-N 307.372 1.477 10 10 DDCE Cc1ccc(CN(C)[C@H]2CNOC2)c(O)c1Br 2307570329 KBORQMIOLAGSHR-JTQLQIEISA-N 301.184 1.798 10 10 DDCE CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C=Cc1ccc(O)c(O)c1 2307987017 WXSGDLCNOAMMAN-WDEREUQCSA-N 306.362 1.530 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@H](Sc2ncc(C(=O)O)s2)C1 2319418408 OTPJBIIJJYGVRE-NKWVEPMBSA-N 307.418 1.899 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)Cn2cncn2)c1 103613577 ZZKOFLCVDVBSSR-MNOVXSKESA-N 319.365 1.441 10 10 DDCE C=CS(=O)(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 1198566234 DOACBFZDIMTPBH-ZETCQYMHSA-N 300.405 1.857 10 10 DDCE CCN[C@@H]1C(=O)Nc2cc(N(C)CCN(C)C)c(Cl)cc21 92752307 LKFCMIIKCHPKJG-AWEZNQCLSA-N 310.829 1.941 10 10 DDCE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc2c(cc1O)OCO2 276082245 BNBLQHHRIXARKA-SIVJFFJCSA-N 319.357 1.894 10 10 DDCE CN(CCCO)C(=O)NCc1ccc(N2CCOCC2)cc1 283018017 NTAKUVQZKJGNAF-UHFFFAOYSA-N 307.394 1.047 10 10 DDCE C[C@H]1C[C@H](O)C[C@@H](C)N1CC(=O)NCc1ccc(N(C)C)cc1 299351692 PFGYSIRTWIMBAI-XOIINTDNSA-N 319.449 1.603 10 10 DDCE CC(=O)C(=O)COC(=O)c1cn(-c2cc(C)cc(F)c2)nn1 808545924 TYNNKOUBNLDTHN-UHFFFAOYSA-N 305.265 1.030 10 10 DDCE COc1ccc(O)c(CNC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c1 848923994 UMHXYXJRCURMRS-MELADBBJSA-N 308.422 1.988 10 10 DDCE C[C@H]1C(=O)N(C)CN1Cc1ccc(N2CCN(C)CC2)cc1 843435376 NNAGMAFDXCHKKU-AWEZNQCLSA-N 302.422 1.058 10 10 DDCE COCC1(CNC(=O)NCc2ccccc2O)CCNCC1 841991086 JKIGQELARISCGF-UHFFFAOYSA-N 307.394 1.208 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](CN)[C@H](c2ccc(O)c(O)c2O)C1 687812234 OMYSPYAUFPFTIX-GXSJLCMTSA-N 324.377 1.713 10 10 DDCE CC(C)OC[C@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 852812149 ZUWXTOPAGMMMET-HNNXBMFYSA-N 306.406 1.640 10 10 DDCE O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cc(O)cs1 753505854 QNOXNLMZFWHQCC-GFCCVEGCSA-N 317.370 1.774 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])c1 853858341 IWHQCNSACIWTHE-OJPPHQLLSA-N 318.329 1.742 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)N[C@@H](CO)c2ccnn2C)c1 858434271 DKAVGFYGSOJWFB-GWCFXTLKSA-N 319.361 1.297 10 10 DDCE CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2cc3c(cc2O)OCO3)C1 850353500 DTZVCBMURQBELO-MRVWCRGKSA-N 323.389 1.777 10 10 DDCE CO[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)[C@H]1CCOC1 868759863 OZOBAAVQVCWABS-SLEUVZQESA-N 308.378 1.804 10 10 DDCE Oc1cccc(Br)c1CN1CCn2nncc2C1 862402783 RLRUHJVRKDWAES-UHFFFAOYSA-N 309.167 1.762 10 10 DDCE CCOc1ccc(N2CCN(C(=O)c3cccnn3)CC2)cc1 1118907891 GFEHSCFAPSAROW-UHFFFAOYSA-N 312.373 1.838 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](CC1CC1)NC(=O)OC(C)(C)C 885728282 JVUIBAGPOQUCEM-LLVKDONJSA-N 313.350 1.381 10 10 DDCE CN1CC[C@@H](N(C)C(=O)c2cc3cc(O)c(O)cc3s2)C1=O 896498285 YLKPEKAXCOIPCT-SECBINFHSA-N 320.370 1.615 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC(O)(C(C)C)C2)c([N+](=O)[O-])c1 786803067 DKMGGMGRKBESHL-ALCCZGGFSA-N 320.345 1.988 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCCN2CCOC2=O)cc1 1136603009 HCTHGSRCIQBKPH-UHFFFAOYSA-N 319.321 1.421 10 10 DDCE Cc1c(CN(C)Cc2cc3c(cc2O)OC[C@@H]3O)cnn1C 790420685 JJIOOIHQCVSSJY-HNNXBMFYSA-N 303.362 1.492 10 10 DDCE C[C@@H](O)c1ccc(N(C)C2CC(S(C)(=O)=O)C2)c(F)c1 716103150 RZRUQQLWJREAFH-OIKLOGQESA-N 301.383 1.891 10 10 DDCE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@@H](CN=[N+]=[N-])C(N)=O 698402729 AKOLHGKXGGMAIC-ZJUUUORDSA-N 313.358 1.567 10 10 DDCE Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1c(O)cccc1O 1304051100 UJUUEZDBGVJINU-VIFPVBQESA-N 303.362 1.868 10 10 DDCE COc1cccc(O)c1CNOCCNC(=O)OC(C)(C)C 1958765953 VPOJVTRZGGZCRH-UHFFFAOYSA-N 312.366 1.947 10 10 DDCE CO[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[C@@H]1C 1324871812 GTMDZYDOZWWMJH-SWLSCSKDSA-N 320.389 1.234 10 10 DDCE NCc1ccc(N2CC(CCO)C2)c(F)c1Br 1946928677 PRTPSPZPZOWNPS-UHFFFAOYSA-N 303.175 1.866 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cnc3nccn3c2)cc1F 1527014254 WSPRFCGZMKRZJY-UHFFFAOYSA-N 313.336 1.864 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCC2(NCCCO)CC2)cc1 1716702132 OLMQGMBPIUYENP-UHFFFAOYSA-N 319.365 1.083 10 10 DDCE CC(C)(C(=O)NCc1ccc(O)cc1O)S(=O)(=O)C1CC1 1626838220 SFRPTZDKMKXRQT-UHFFFAOYSA-N 313.375 1.070 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCC2(O)CCOCC2)cc1 1556247012 PWEIOJIWNILYEL-UHFFFAOYSA-N 306.322 1.120 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(n2cccn2)CC1 1628261777 NPCNYXKIWIAUQE-UHFFFAOYSA-N 301.346 1.701 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@H]1COc2ccc(O)cc2O1 1633598982 JWPBDTYLAHXEEY-HNNXBMFYSA-N 317.297 1.260 10 10 DDCE CCC(=O)NCC1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1582121208 BBGMZSIIWZSAPN-UHFFFAOYSA-N 317.349 1.447 10 10 DDCE NCc1ccc(N2CCC[C@@H](C(N)=O)C2)c(C(F)(F)F)c1 163651096 CAIFHUBXURCTPD-SNVBAGLBSA-N 301.312 1.866 10 10 DDCE CN(CC(N)=O)c1ccc(CNC2CC2)cc1C(F)(F)F 163672649 PZPUZLFOKOZWNI-UHFFFAOYSA-N 301.312 1.879 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC(C)(C)O1 157413650 KNPCPSYTQIEUNA-SECBINFHSA-N 321.333 1.929 10 10 DDCE OC[C@@H]1COC[C@H]1NCc1cc(Br)ccc1O 1942672361 CKPUJEQGQRMGQJ-MWLCHTKSSA-N 302.168 1.252 10 10 DDCE Oc1cc(Br)ccc1CN1C[C@@H]2OCCO[C@H]2C1 2032425384 YCNCULPIWVZJIS-STQMWFEESA-N 314.179 1.754 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1CCOC[C@@H]1O 706777610 HGGUPPICPAGPSN-MNOVXSKESA-N 302.168 1.394 10 10 DDCE Oc1cccc(Br)c1CN1CCO[C@@H]2CNC[C@@H]21 686534378 GTWKAJMJZJIDQY-WCQYABFASA-N 313.195 1.327 10 10 DDCE CN(C)C[C@@H](O)CN(C)c1ccc(CN)c(Br)c1 690204717 PPGBSUZLUDMYIV-GFCCVEGCSA-N 316.243 1.267 10 10 DDCE C[C@H]1NC(=O)CC[C@@H]1NCc1cccc(Br)c1O 392952783 LTMBYICWOXHPHH-KCJUWKMLSA-N 313.195 1.911 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@]34C[C@H]3COC43CCC3)c2n1 2062648821 PBAOIGKFLNEOIV-MGPLVRAMSA-N 314.345 1.185 10 10 DDCE CC(C)OCCS(=O)(=O)CC(=O)Nc1ccc(N)cc1 2184718248 YMUUENLUKWZTEQ-UHFFFAOYSA-N 300.380 1.047 10 10 DDCE CCS(=O)(=O)c1c(N)nsc1NCc1ccccc1O 2186556071 CATXFSAUSBGAPK-UHFFFAOYSA-N 313.404 1.837 10 10 DDCE C[C@@H](NCc1c(O)cccc1Br)c1nc(=O)o[nH]1 2057699475 KJVSCCFSKPRZEQ-ZCFIWIBFSA-N 314.139 1.682 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](C)[C@H]2C[C@H]2C(=O)O)s1 2284545149 WOQCXPPFBDQSJA-FTLITQJKSA-N 315.420 1.773 10 10 DDCE Cc1ccc(CN[C@@H](C)c2nn[nH]n2)c(O)c1Br 2327621063 JKVMTFBRPQHYSA-ZETCQYMHSA-N 312.171 1.827 10 10 DDCE CSCCS(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2341194896 AKODXEVPENSRFZ-UHFFFAOYSA-N 303.405 1.149 10 10 DDCE CN(Cc1cccc(F)c1O)[C@@H]1CC[C@H](S(C)(=O)=O)C1 2361672617 RHZHYOBZOZIRAA-NEPJUHHUSA-N 301.383 1.929 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NCCCn1ccnn1 182469746 LQXQCPUQMVLNKB-UHFFFAOYSA-N 317.393 1.996 10 10 DDCE Cn1cnc(S(=O)(=O)Nc2ccc(O)c(F)c2)c1Cl 85201105 GLFLOZQCCDGCOJ-UHFFFAOYSA-N 305.718 1.719 10 10 DDCE CC[C@H]1CN(C(=O)c2cccc(O)c2O)CCN1CC(F)F 193150764 DURQGLLAGCZFDY-JTQLQIEISA-N 314.332 1.899 10 10 DDCE C[C@H](NCCCS(=O)(=O)N(C)C)c1cc(O)ccc1O 2367613613 IEYJNZDUDMBGMR-JTQLQIEISA-N 302.396 1.030 10 10 DDCE COc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)c(O)c1 93665394 LIMVPQDRWRYIKR-AWEZNQCLSA-N 306.406 1.555 10 10 DDCE CO[C@@H]1CC[C@H]2OCCN(Cc3cc4c(cc3O)OCO4)[C@H]2C1 366847851 ZSYAEIZTWNJLSP-VNHYZAJKSA-N 321.373 1.889 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CC[C@@]3(CNC(=O)C3)C2)c1O 278903880 PQJYSLPFNBUACH-MRXNPFEDSA-N 322.792 1.960 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(S(=O)(=O)C(C)C)c1 808537437 OZILGUQDJSBLCS-UHFFFAOYSA-N 312.343 1.184 10 10 DDCE C[C@@H](F)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 818290846 IESKYZXZSWIEDH-MRVPVSSYSA-N 304.343 1.242 10 10 DDCE CNC(=O)[C@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 817165104 JQZLKKLPEDMHHC-OCCSQVGLSA-N 318.421 1.591 10 10 DDCE CCOC(=O)C(F)(F)[C@@H](N)c1cc(F)cc(C(=O)O)c1O 725274865 SBYBGCXVDXMBIL-VIFPVBQESA-N 307.224 1.428 10 10 DDCE COc1c(O)cccc1/C=C1\C(=O)NN(c2ccccc2)C1=O 728698595 OOOFIMWRWUWRCM-JLHYYAGUSA-N 310.309 1.862 10 10 DDCE COc1cc(CN2CC[C@H](CN3CCOC3=O)C2)c(O)cc1C 840097735 DIXFQAVYBQBKRE-ZDUSSCGKSA-N 320.389 1.983 10 10 DDCE CC(C)(C)OC(=O)NC[C@]1(c2cc(O)c(O)c(O)c2)CCNC1 1952179448 UYWKBVGUAHWWJK-INIZCTEOSA-N 324.377 1.559 10 10 DDCE COC(OC)[C@@H](C)NC(=O)NCc1ccc(N(C)C)cc1C 919082225 XTAISKRYENPHLP-GFCCVEGCSA-N 309.410 1.868 10 10 DDCE CCOC(=O)[C@](C)(N)c1cc(Br)cc(OC)c1O 1952265664 MLFREUINKSKSBC-GFCCVEGCSA-N 318.167 1.900 10 10 DDCE CNC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C)cn1C 740704999 DCGYORXSXYCKTC-UHFFFAOYSA-N 323.374 1.200 10 10 DDCE C[C@H]1C(=O)N(CCN(C)C)CN1Cc1c(O)cccc1Cl 843429634 YBEQIZXASOUVKL-NSHDSACASA-N 311.813 1.597 10 10 DDCE Nc1ccc(NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)cc1 926141448 DHTJFQXPHWQUNV-ZIAGYGMSSA-N 306.435 1.970 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCC(C)(C)CO)C2)cc1 854299228 GVDDPOWEUQBVGV-CYBMUJFWSA-N 321.421 1.592 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@@H]1COCCN1C1CCCC1 928707604 FYXLAWAFDDCIDV-HNNXBMFYSA-N 322.380 1.791 10 10 DDCE Cc1cc(C)c([C@H](C)NCC(C)(C)CS(N)(=O)=O)c(O)c1 866572323 NTTNKUZGJVVTOL-LBPRGKRZSA-N 314.451 1.974 10 10 DDCE COC(=O)C1=CC[C@H](NCc2ccc(N3CCOCC3)cc2)C1 862466213 WSKVTSBCBUCWMU-INIZCTEOSA-N 316.401 1.875 10 10 DDCE CN1CC[C@@H](C(=O)NCc2ccc3cccnc3c2O)CC1=O 862028739 JDVGDQQYFKWCAJ-GFCCVEGCSA-N 313.357 1.425 10 10 DDCE C/C(=C/C(=O)NCc1cccc(Cl)c1O)CN1CCOCC1 890760906 DHIVBTZUSHBXIW-XFXZXTDPSA-N 324.808 1.940 10 10 DDCE O=C(O)[C@H]1C[C@H]1CNCc1cc(Br)ccc1O 715239218 OOOPGBSPDRZVKP-XVKPBYJWSA-N 300.152 1.965 10 10 DDCE COc1ccc([C@@H](C)N(C)[C@H](C)CS(C)(=O)=O)c(O)c1 688542734 JBUNICRPWJXDPK-GHMZBOCLSA-N 301.408 1.827 10 10 DDCE CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cccc(O)c1O 1466220235 RHIMQFWSJNSWGI-ZLDLUXBVSA-N 320.389 1.422 10 10 DDCE COCC(=O)NC[C@H](NCc1ccc(OC)c(C)c1)C1CC1 1479996866 WWYSNJMDSSZYRX-HNNXBMFYSA-N 306.406 1.634 10 10 DDCE O=C(C[C@@H]1CC(=O)N1)Nc1c(-c2ccccn2)nc2ccccn12 1625656380 AEXXRGRZFQHQNE-NSHDSACASA-N 321.340 1.613 10 10 DDCE C[C@H]1OCC[C@]12CN(C(=O)Cc1ccc(O)c(O)c1)CCO2 1634747227 WTXQERROSPCPKW-BZNIZROVSA-N 307.346 1.047 10 10 DDCE CN(C)c1ccc(CNCC(=O)N2CCC(C(=O)O)CC2)cc1 1857865578 UIVIXNGNOYSEOW-UHFFFAOYSA-N 319.405 1.165 10 10 DDCE CCc1nnc(NC(=O)CNCc2ccc(N(C)C)cc2)s1 1857852289 QKLMVMMPOUMYOL-UHFFFAOYSA-N 319.434 1.895 10 10 DDCE Nc1ccc(OCC(=O)N[C@@H]2CCCCC23OCCO3)cc1 1876419285 DBXYRDYEPMSSBZ-CQSZACIVSA-N 306.362 1.450 10 10 DDCE N[C@@H]1COCCN(Cc2c(O)cccc2Br)C1 1946793079 KZYPAXPUQKQOQV-VIFPVBQESA-N 301.184 1.314 10 10 DDCE Cc1nc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)cs1 2149051233 NAQFHHHQTJKZSE-UHFFFAOYSA-N 314.344 1.656 10 10 DDCE CCS(=O)(=O)N1CCC(Nc2c(N)cccc2F)CC1 2160464579 BQPJWFPSQBFEOO-UHFFFAOYSA-N 301.387 1.634 10 10 DDCE C[C@@H](N)c1ccc(N(C)[C@H]2COC[C@@H]2O)c(Br)c1 709335003 XBNGPWFAGKJVJL-JCOFBHIZSA-N 315.211 1.665 10 10 DDCE C[C@@H]1NC(=O)CC[C@H]1NCc1cc(Br)ccc1O 392968106 SZFRWNSNPRUXQL-GZMMTYOYSA-N 313.195 1.911 10 10 DDCE C[C@H]1CN(C)C[C@@H](C(=O)NCc2c(O)ccc3ccccc23)O1 2062366995 DEXAHCTXJGUKBG-SJCJKPOMSA-N 314.385 1.881 10 10 DDCE O=C(NCc1ccc(O)cc1O)C1C[C@H]2CC(O)C[C@H](C1)C2 2063001229 RFYASOZGUDDBRK-MYTXZNPBSA-N 305.374 1.901 10 10 DDCE CC[C@@H](COC(F)F)NS(=O)(=O)Cc1ccc(N)cc1 2187457966 SQVWRUCYGTTXFL-NSHDSACASA-N 308.350 1.706 10 10 DDCE OCc1cc(CNCc2cc(Br)ccc2O)[nH]n1 2056565758 IZTYGKAIFNTNEM-UHFFFAOYSA-N 312.167 1.660 10 10 DDCE CC1(C)CSCCN1S(=O)(=O)Cc1ccc(N)cc1 2114510509 XVCDXEBILJYCSJ-UHFFFAOYSA-N 300.449 1.926 10 10 DDCE CN(C1CCC1)S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236167493 HZEHOHUYRVHGAC-UHFFFAOYSA-N 301.324 1.441 10 10 DDCE CON(CCC(=O)O)C(=O)NCc1cnc(SC)s1 2269134539 PAPGBVWAQDBBTF-UHFFFAOYSA-N 305.381 1.413 10 10 DDCE CC[C@@H](C)[C@@H]1NC(=O)CN(Cc2cnc(SC)s2)C1=O 2284668417 WXJGYGIOGAXVCG-KCJUWKMLSA-N 313.448 1.738 10 10 DDCE CC(C)(CNC(=O)C=Cc1ccc(O)c(O)c1)N1CCOCC1 2307982259 WALOYGHZSHUQBE-UHFFFAOYSA-N 320.389 1.338 10 10 DDCE Cc1ccc(CN2C[C@@H](O)C[C@H]2CO)c(O)c1Br 2327620197 AMOFXWYMUHJXEV-QWRGUYRKSA-N 316.195 1.391 10 10 DDCE CSc1ncc(CNC(=O)[C@]2(O)C[C@H]2C(F)(F)F)s1 2344036630 ZCIMTPSRLRCEQS-MUWHJKNJSA-N 312.338 1.795 10 10 DDCE CSc1ncc(CNC(=O)[C@]2(O)C[C@@H]2C(F)(F)F)s1 2344036631 ZCIMTPSRLRCEQS-RCOVLWMOSA-N 312.338 1.795 10 10 DDCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC12CC2 1345234293 IBNNARVQBJYJBW-RYUDHWBXSA-N 319.357 1.488 10 10 DDCE CN(C[C@@H]1CCC[C@@H]1O)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 301846823 MZYBBSHXKLSBQQ-ZANVPECISA-N 321.333 1.523 10 10 DDCE CC(C)N(Cc1ccc(N)cc1)S(=O)(=O)C[C@@H]1CCCO1 63155134 RQHGRKOMMUQULO-HNNXBMFYSA-N 312.435 1.988 10 10 DDCE CN(Nc1nc([C@@H]2[C@H](C(=O)O)C2(C)C)cs1)S(C)(=O)=O 2365283986 ZEHLGYMZAPVJCE-HTQZYQBOSA-N 319.408 1.186 10 10 DDCE CN(C)c1ccc(NC(=O)CN2C(=O)CSC2=S)cc1 82334897 VKBVDNUHEKEWJS-UHFFFAOYSA-N 309.416 1.551 10 10 DDCE CC(C)[C@H](NCc1cccc(Br)c1O)C(N)=O 223952927 DDKJBGRRVSXGFC-JTQLQIEISA-N 301.184 1.754 10 10 DDCE COc1cc2c(cc1OC)N(CCC(=O)O)CCN(C)C2=O 527431965 JRKOUSDEYPODEX-UHFFFAOYSA-N 308.334 1.071 10 10 DDCE COC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@@H](C)O1 252005528 WZVNZIPVJYPAIP-YGRLFVJLSA-N 311.353 1.970 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@@H]3CCC[C@H](C2)C3O)c1O 365828868 VBCGJKWWFQGFPS-BVUQATHDSA-N 322.361 1.902 10 10 DDCE CN(CCCCO)C(=O)NCc1ccc2c(c1)CCCN2C 276502106 RRAWPLKGPQGLKW-UHFFFAOYSA-N 305.422 1.983 10 10 DDCE O=S(=O)(NC1CN(c2ccc(CO)cc2Cl)C1)C1CC1 2165626681 MEZGEBMHXRPCCJ-UHFFFAOYSA-N 316.810 1.103 10 10 DDCE CCN(c1ccc(N)cc1)S(=O)(=O)c1cc(OC)ns1 717752694 YEZUXIQBIMPREO-UHFFFAOYSA-N 313.404 1.949 10 10 DDCE CC(C)(C)CC(=O)N1CCN(C(=O)Cc2ccc(N)cc2)CC1 826802079 CEWMBLXWBDSJHX-UHFFFAOYSA-N 317.433 1.918 10 10 DDCE CO[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)[C@H]1CCOC1 830560014 ZZTZOBFCPPWUMO-GUYCJALGSA-N 319.401 1.939 10 10 DDCE CC1(C)[C@H]2CN(Cc3cc(O)n4ncc(C(=O)O)c4n3)C[C@@H]21 737722077 DPBBOAJQXRYBTH-QWRGUYRKSA-N 302.334 1.221 10 10 DDCE Cc1cn2c(n1)C[C@@H](C(=O)NCc1ccc(O)cc1O)CC2 910955475 FXIVNIBSGHLUCY-NSHDSACASA-N 301.346 1.482 10 10 DDCE C[C@H]1CNCC[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 841990433 YDCFQNCYLOIWTG-BBRMVZONSA-N 304.438 1.892 10 10 DDCE CC[C@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C(=O)OC 855223160 BXPTWACBWKOSHJ-SWLSCSKDSA-N 320.389 1.589 10 10 DDCE CO[C@]1(CO)CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 855445014 ROQFOQNILBGCFS-DQOPKJQZSA-N 307.346 1.111 10 10 DDCE CCC(=O)N1CSC[C@@H]1C(=O)NCc1c(O)cccc1F 928711938 MAQXLHQNSQYHRK-LLVKDONJSA-N 312.366 1.459 10 10 DDCE CCCN(C)S(=O)(=O)NNc1nc2cccnc2s1 857225850 UGUJUFBQXLKZGL-UHFFFAOYSA-N 301.397 1.194 10 10 DDCE Cc1cc(O)c(CN2CCN(c3nccnn3)CC2)c(Cl)c1 862443047 LQPKOUGFCHXQMM-UHFFFAOYSA-N 319.796 1.861 10 10 DDCE CC[S@](C)(=O)=NS(=O)(=O)N[C@H](C)c1ccccc1O 867835366 YASLMHUDLWIAJJ-LZVRBXCZSA-N 306.409 1.405 10 10 DDCE CC[C@H](C)NC(=O)COc1ccc(N(C)C)c(C(=O)OC)c1 865396329 OKKOAJUFXKBSJN-NSHDSACASA-N 308.378 1.833 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](O)c1cnc[nH]1 868889236 IEVJPOXEHLMNMW-LRDDRELGSA-N 316.405 1.565 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn2c(n1)COCC2 860696943 JCMTULFLDZUVOI-SNVBAGLBSA-N 317.345 1.186 10 10 DDCE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1ccccc1O 779032663 HACNMNYJGYGADM-UXOAXIEHSA-N 319.357 1.317 10 10 DDCE CN(C)c1ccc(Cn2nc(CN)c3c2CCC[C@H]3O)cc1 82824210 CHKJUCOYYBAJLU-MRXNPFEDSA-N 300.406 1.826 10 10 DDCE OCCOCC1(O)CCN(Cc2cc(Cl)ccc2O)CC1 895828274 UQMGTTCVILRQDW-UHFFFAOYSA-N 315.797 1.381 10 10 DDCE COc1ccc(O)c(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 788298436 JIJBRPAZMGPUPW-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE Cc1ncc(Br)c(=O)n1CCOc1ccc(N)cc1 90767605 IPGRYFBPUHGKRS-UHFFFAOYSA-N 324.178 1.975 10 10 DDCE Cc1cc(C(=O)NCc2ccc(O)cc2O)c(N)c([N+](=O)[O-])c1 1162277797 BRBVWQJVDHNVFN-UHFFFAOYSA-N 317.301 1.827 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1nccnc1Br 2121641572 GVGQFMYCMQPTQR-UHFFFAOYSA-N 324.134 1.832 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(COCCO)cc1 1299712612 GOBAEZYFTVALSK-UHFFFAOYSA-N 317.341 1.788 10 10 DDCE COc1cc(CN(C)CCC(=O)O)ccc1N(C)CC(=O)O 212683462 AJSRPEOBGFKWGI-UHFFFAOYSA-N 310.350 1.123 10 10 DDCE CC(=O)C(=O)[C@]1(O)CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 1919274841 NCOICGDFSKFKKH-HSMVNMDESA-N 311.378 1.685 10 10 DDCE Cn1c(=O)oc2ccc(CNC(=O)c3cc(O)cs3)cc21 1557875191 RFVHGFNPAKRIHN-UHFFFAOYSA-N 304.327 1.829 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc(-n2ccnc2)nc1 1630302337 YBWNRVRUAXCPEC-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CC(C)(C)N1C[C@@H](C(=O)NCc2cc(O)ccc2O)CC1=O 1637122884 QMPDFOZJSUUSMH-NSHDSACASA-N 306.362 1.361 10 10 DDCE Cn1nc(C(F)(F)F)cc1C(=O)NCc1ccc(O)cc1O 1638352904 WQWNUUYBYOSIMP-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2ccc3nn[nH]c3n2)c1 1595800546 YVQUSOMMVQXIJG-QMMMGPOBSA-N 313.317 1.558 10 10 DDCE CN(C)c1ccc(CNCCC(=O)N2CCC[C@@H]2C(=O)O)cc1 1857863275 VHOBFBBYRKGPBC-OAHLLOKOSA-N 319.405 1.308 10 10 DDCE Cc1nnsc1[C@@H](C)NS(=O)(=O)Cc1ccc(N)cc1 2145362617 TVMMWEILZWMINM-SECBINFHSA-N 312.420 1.609 10 10 DDCE Cn1ncc(Br)c1[C@H](O)[C@@H](N)c1ccccc1O 2031163792 YWDXBVWCSWEXME-CMPLNLGQSA-N 312.167 1.622 10 10 DDCE COc1cccc(O)c1[C@@H](C)n1cc(C(=O)NC2CC2)c(O)n1 2070651756 KJOBVADVXSYXNW-SECBINFHSA-N 317.345 1.804 10 10 DDCE CCNC(=O)c1cc(CC)nn1Cc1cc(OC)ccc1O 2070154903 CSANBPZMWIZUDU-UHFFFAOYSA-N 303.362 1.958 10 10 DDCE CS(=O)(=O)c1cnn(Cc2cccc(Cl)c2O)c1N 2070217680 NIYLTUXJFYRJAV-UHFFFAOYSA-N 301.755 1.276 10 10 DDCE COC1(CO)CCN(c2cc(Cl)c(CN)cc2F)CC1 2177381994 UQWYOFFRYQHROU-UHFFFAOYSA-N 302.777 1.916 10 10 DDCE CN[C@]1(C(N)=O)C[C@@H](Sc2nccs2)CC[C@H]1COC 2183650144 IRDAAEYUQJDSSQ-OUJBWJOFSA-N 315.464 1.494 10 10 DDCE COC(=O)N[C@@H](C)CNCc1cccc(Br)c1O 2261476273 RZGABPZOLVCLEQ-QMMMGPOBSA-N 317.183 1.989 10 10 DDCE CSc1ncc(CNC(=O)NCC2(C(=O)O)CC2)s1 2269092638 JKRLBWDVQBCEKP-UHFFFAOYSA-N 301.393 1.529 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)N(C)c2cccc(C)n2)c1 491905945 POWZTZSSZJGVSE-BQYQJAHWSA-N 310.357 1.821 10 10 DDCE COc1cc(C=C2C(=O)NC(=O)N(C)C2=O)ccc1OC(C)C 2313549407 VLKSAFAYFGXACK-UHFFFAOYSA-N 318.329 1.574 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccnn2C)c1 103508900 USHWEXWDTGDPRO-SNVBAGLBSA-N 304.350 1.695 10 10 DDCE CC[C@@H]1CCCCN1C(=O)C(=O)N(C(C)=O)c1ccc(N)cc1 170318580 RMCKJZOPMANTSE-CQSZACIVSA-N 317.389 1.939 10 10 DDCE COC(C)(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 170962784 RJBZRSCQFRBSRK-UHFFFAOYSA-N 310.369 1.704 10 10 DDCE CN[C@@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)c(Cl)c1 2358208604 YNUPHGFZQUKNFI-IOEYQFCTSA-N 302.777 1.500 10 10 DDCE NCc1ccc(N2CCCC[C@@H]2C(N)=O)cc1Br 228150022 DFZKOMDTWOECPB-GFCCVEGCSA-N 312.211 1.752 10 10 DDCE COc1cc(Cl)c(N2C[C@H](O)C[C@@H](OC)C2)c(OC)c1 2368107219 WOIXCUCNXMBOEQ-MWLCHTKSSA-N 301.770 1.943 10 10 DDCE COc1cccc(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c1O 92105632 DBIHNKMCWGYSNB-KGLIPLIRSA-N 304.390 1.891 10 10 DDCE CNCc1ccc(N2CCCNC(=O)C2)cc1Br 234434593 INPWOAMSJPYOQL-UHFFFAOYSA-N 312.211 1.495 10 10 DDCE COc1ccc(N2CCN(CCC(=O)NCC(C)C)CC2)cc1 243314762 LJUORODIEPPPHF-UHFFFAOYSA-N 319.449 1.980 10 10 DDCE CCCCNCC(=O)N1CCN(c2ccc(OC)cc2)CC1 243096595 IZPIWAVNSCLBSB-UHFFFAOYSA-N 305.422 1.734 10 10 DDCE CN1C(=O)N[C@@]2(CCC[C@H]2CNCc2ccccc2O)C1=O 371084842 HRTGORCFJSXNFZ-BLLLJJGKSA-N 303.362 1.202 10 10 DDCE O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cc(O)cs1 732291083 OWFDKYPHFANTCB-LBPRGKRZSA-N 302.355 1.989 10 10 DDCE CC[C@@H]1[C@H](CO)CCN1CC(=O)NCc1ccc(N(C)C)cc1 839610568 OGCUYROHWGGXMK-DOTOQJQBSA-N 319.449 1.462 10 10 DDCE COC[C@H]1C(=O)N[C@@H](c2cc(Cl)cc(OC)c2O)N1C 840833181 PGPQJPJSVGYHIT-JOYOIKCWSA-N 300.742 1.129 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H](C)c3cnn(C)n3)C2)cc1 926680798 RSDUGTTYPRINKD-STQMWFEESA-N 301.394 1.753 10 10 DDCE C[C@@H](NC(=O)NC1CC(CC(N)=O)C1)c1ccc(N(C)C)cc1 922056351 YPWRHQRCTYTJBT-LKSINWNRSA-N 318.421 1.767 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3C[C@H](O)C[C@H]3C)C2)cc1 854299111 LLFBDLXDBADYEM-VNHYZAJKSA-N 319.405 1.439 10 10 DDCE COCCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851961077 VRDPBYNEECIFBV-AWEZNQCLSA-N 321.421 2.000 10 10 DDCE COC(=O)CCN1CCC[C@H](N(C)Cc2ccccc2O)C1=O 851841043 MLXBDMHDVGRSAY-AWEZNQCLSA-N 320.389 1.378 10 10 DDCE COc1ncccc1NS(=O)(=O)c1cc(F)cc(F)c1O 753020369 QYHIITTZWQSLST-UHFFFAOYSA-N 316.285 1.875 10 10 DDCE CN1C[C@@H](c2ccc(NC(=O)OC(C)(C)C)cc2O)NCC1=O 1952420080 SSEDKFPOGLCNBQ-LBPRGKRZSA-N 321.377 1.842 10 10 DDCE CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(OC)cc2O)C1 867956630 VJFIZCACWJWYBN-NWDGAFQWSA-N 321.373 1.996 10 10 DDCE O=C1CC[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)O1 866897924 MDAUQEPPYFJIFR-DZGCQCFKSA-N 319.357 1.605 10 10 DDCE NCc1cnnn1-c1ccc2c(c1)C(=O)c1ccccc1C2=O 62264602 ZYJRXRNPQFQNGH-UHFFFAOYSA-N 304.309 1.501 10 10 DDCE COc1ccc(N2CCN(C(=O)C34CCN(CC3)C4)CC2)cc1 899940643 SXPPHEPWXNWCJK-UHFFFAOYSA-N 315.417 1.440 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)C(F)(F)F)cc1 1158262255 UOLTXGLHIMIULA-MRVPVSSYSA-N 304.228 1.502 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)cc1 1349680558 AHMXVUUMXUODGL-CHWSQXEVSA-N 323.343 1.092 10 10 DDCE CN(C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccco1 1440560276 WBQWBNALCMZRGI-LBPRGKRZSA-N 304.346 1.652 10 10 DDCE CN(Cc1cccc(O)n1)C(=O)/C=C/c1ccc(O)c(O)c1 1456185492 GLALQNLSPBHHOB-SOFGYWHQSA-N 300.314 1.870 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)Cc2c(O)ncnc2O)c1 1465991351 BWGXMORTEUDSIS-QMMMGPOBSA-N 319.317 1.022 10 10 DDCE NC(=O)CC[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1546327298 LYQKQGZVDSXVBG-NSHDSACASA-N 306.362 1.144 10 10 DDCE O=C(NCc1cccc(O)c1O)[C@@H]1CC(c2ccccn2)=NO1 1471642288 REYUOEKVACFMCX-AWEZNQCLSA-N 313.313 1.302 10 10 DDCE Cc1c(Cl)c(C(=O)NCCc2ccc(O)c(O)c2)nn1C 1545669231 QEZSRQFXZJZLCH-UHFFFAOYSA-N 309.753 1.766 10 10 DDCE COc1ccc(CNC[C@@H](C)CNC(=O)c2cnon2)cc1C 1714434980 AXMLDALEYVCBHN-LLVKDONJSA-N 318.377 1.542 10 10 DDCE CN(C)[C@H]1CCC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 1622753115 HRFKRXDDOFHTFJ-KBPBESRZSA-N 306.406 1.877 10 10 DDCE COC(=O)c1oc(C(=O)NCc2ccc(O)c(O)c2)cc1C 1622664197 LCWXZEGCNNFYAD-UHFFFAOYSA-N 305.286 1.716 10 10 DDCE Cc1ncc([N+](=O)[O-])n1CC(=O)N1Cc2cccc(O)c2C1 1636230960 LHAFZVRYRVDZEY-UHFFFAOYSA-N 302.290 1.348 10 10 DDCE Cn1ncc2cc(C(=O)NCc3c(O)cccc3F)cnc21 1635361129 XDBNLFSMEKZTQV-UHFFFAOYSA-N 300.293 1.743 10 10 DDCE COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)Cc1ccc(O)c(O)c1 1567882024 YBALBMYBIYVZNV-JQWIXIFHSA-N 307.346 1.440 10 10 DDCE O=C(NC1(c2ncccn2)CCOCC1)c1cccc(O)c1O 1646282500 ALHNTZSGDQWEMH-UHFFFAOYSA-N 315.329 1.324 10 10 DDCE COc1ccc(Br)c(CN(C)CC(N)=O)c1O 1964555555 PIBIHKADOZDIRE-UHFFFAOYSA-N 303.156 1.080 10 10 DDCE COc1cc(Cl)cc(CNCC(=O)NCC(F)F)c1O 280810950 JFTCTGMIQFWAME-UHFFFAOYSA-N 308.712 1.525 10 10 DDCE NCc1ccc(N2C[C@@H]3OCCO[C@@H]3C2)c(Br)c1 2032415782 ZQUBGZZTQJDVKZ-BETUJISGSA-N 313.195 1.512 10 10 DDCE N[C@@H]1CN(Cc2cc(Br)ccc2O)[C@@H]2COC[C@@H]12 2040553892 JSZGWXHKCXGEAF-QJPTWQEYSA-N 313.195 1.313 10 10 DDCE CCS(=O)(=O)NC1CN(c2cc(Cl)c(CN)cc2F)C1 2177385834 RMBCAXNFXDWKMW-UHFFFAOYSA-N 321.805 1.066 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@H](O)[C@H](O)C2)c(Br)c1 2068407588 SUONMUHHRJQLDK-AQUOVQTQSA-N 316.195 1.434 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NOC2CCCC2)cc1 2191776204 LCXFEALPUNQGGX-UHFFFAOYSA-N 300.380 1.441 10 10 DDCE Oc1ccc(Br)cc1CN[C@@H]1CCC[C@H](O)[C@@H]1O 2217644420 ZZDIODKLBUAVJM-KGYLQXTDSA-N 316.195 1.519 10 10 DDCE CSc1ncc(CNC(=O)c2ccncc2C(=O)O)s1 2284494156 KGFHDDAFHROVNR-UHFFFAOYSA-N 309.372 1.888 10 10 DDCE CSc1ncc(CN2CCC(=O)N[C@@H](C(C)C)C2=O)s1 2284665263 KTDOOWFVIYLBAM-NSHDSACASA-N 313.448 1.738 10 10 DDCE Cc1ccc(CN(C)C[C@@H](O)C(=O)O)c(O)c1Br 2327595650 HLQBTQMDMKYMPT-SECBINFHSA-N 318.167 1.340 10 10 DDCE CSc1cc(N2CCS(=O)(=O)C[C@H]2C)ccc1CN 2353860247 RKUSSAPZRFZRQW-SNVBAGLBSA-N 300.449 1.491 10 10 DDCE CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1CCOC 117323975 RENZMXKCGBCSPH-CQSZACIVSA-N 322.405 1.664 10 10 DDCE COC(=O)c1ncoc1CCC(=O)N1Cc2cccc(O)c2C1 1348788895 JYOABLVUOIFTQS-UHFFFAOYSA-N 316.313 1.642 10 10 DDCE Cc1nc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)no1 173567938 RUNRADORVNKTAN-UHFFFAOYSA-N 307.329 1.583 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](N)c1cc(CC(=O)O)ccc1O 309952013 OJHVURAPDXRYCJ-LLVKDONJSA-N 310.350 1.544 10 10 DDCE CN(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 301067044 DHIRGXOWPZUHST-UHFFFAOYSA-N 315.333 1.767 10 10 DDCE CC(C)(C)OC(=O)N[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1O 1951384896 JXGXSQJQQJXIAG-JTQLQIEISA-N 312.278 1.951 10 10 DDCE COC(=O)[C@H]1[C@H](O)CCCN1Cc1cc(Cl)cc(C)c1O 188791140 GVRSLNKGVVTWCH-CHWSQXEVSA-N 313.781 1.852 10 10 DDCE COC[C@@H](O)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1 90949129 FYGKXPSINRLAMG-YOEHRIQHSA-N 308.422 1.571 10 10 DDCE NCc1ccc(N2CCOC[C@@H]2CO)c(F)c1Br 231840779 SGVYCHDRAKINIM-VIFPVBQESA-N 319.174 1.244 10 10 DDCE O=C(N[C@@H]1COc2ccc(F)cc2C1)c1cccc(O)c1O 378135804 WIPCIMYIZFQFSX-NSHDSACASA-N 303.289 1.970 10 10 DDCE C/C=C\[C@H](O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 900387107 QPBFUUUFQUTAMB-UTHDXZNRSA-N 304.390 1.637 10 10 DDCE Nc1ccc(CC(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)cc1 843488466 AUNMVDKDGQKJPY-CYBMUJFWSA-N 311.389 1.590 10 10 DDCE CO[C@@H](CS(=O)(=O)Nc1ccc(O)c(F)c1F)C1CC1 842585666 DFEDYUCPONJIQL-JTQLQIEISA-N 307.318 1.837 10 10 DDCE COc1ccc(N2CCCN(C[C@]3(O)CCCOC3)CC2)cc1 849324965 SASIXPNDHJKICE-GOSISDBHSA-N 320.433 1.749 10 10 DDCE Cc1cc(N(C)C)ccc1CN1CC[C@H](NS(C)(=O)=O)C1 840918246 QMNHPBHIYIYHTC-AWEZNQCLSA-N 311.451 1.185 10 10 DDCE Cn1ncc2c1C[C@@H](C(=O)NCc1c(O)cccc1F)CC2 928707440 DPBQKERVXBPVAE-JTQLQIEISA-N 303.337 1.686 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@@H]1COCCN1CC(F)F 928708752 SFADOGINFPVBRU-NSHDSACASA-N 318.295 1.113 10 10 DDCE CCC[C@H](O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854300971 FJXLARQNLPNZPG-ZFWWWQNUSA-N 321.421 1.734 10 10 DDCE C[C@H]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2O)CS1(=O)=O 850369313 VDAWFBMZDMIDKZ-GXSJLCMTSA-N 314.363 1.356 10 10 DDCE COc1ccc(O)c(CN[C@H]2CCN(C3CCOCC3)C2=O)c1 776229708 AQECIJQACUNKMD-HNNXBMFYSA-N 320.389 1.270 10 10 DDCE COc1cc(Br)cc(CN2C[C@@H]3C[C@@]3(O)C2)c1O 895647380 KWMRLWQLQSPUTR-TVQRCGJNSA-N 314.179 1.730 10 10 DDCE CN[C@@H](C)c1ccc(N(C)[C@H](C)CS(C)(=O)=O)cc1O 688547141 VOPINUBHTQQHGB-MNOVXSKESA-N 300.424 1.542 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cc(Cn2cccn2)on1 1156170520 OUKPKZWSNQOPNF-UHFFFAOYSA-N 316.292 1.694 10 10 DDCE O=C(CS(=O)(=O)C1CCCC1)NCc1cccc(O)c1O 1303192869 BZMUSHQVLVIPQX-UHFFFAOYSA-N 313.375 1.071 10 10 DDCE CN1CCN(c2ccc(CN[C@@H](CCF)C(=O)O)cc2)CC1 1328996564 AZKMUEDYDQITGD-HNNXBMFYSA-N 309.385 1.341 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc2oc(O)nc2c1 1178911770 PJXTZVMQXCZXED-UHFFFAOYSA-N 300.270 1.875 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CNC(C)(C)C)C2)cc1 1331230642 RTAOXKZZMLPIQH-ZDUSSCGKSA-N 305.422 1.778 10 10 DDCE COCCN[C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1275581095 YBGUXSMCRKUHDF-MNOVXSKESA-N 321.381 1.592 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(c2cnc[nH]2)CC1 1445347900 GUCFJQWNHKGQEP-UHFFFAOYSA-N 301.346 1.770 10 10 DDCE C[C@H](NCCCO)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1282243912 YEVUVHFBJFUHHE-WDEREUQCSA-N 321.381 1.328 10 10 DDCE C[C@H](N)c1ccc(N2CC(CO)(CO)C2)c(Br)c1 1914967627 AGIQAAVMEATHJE-VIFPVBQESA-N 315.211 1.260 10 10 DDCE C[C@H](NC(=O)NCc1c(O)cccc1F)c1nnnn1C1CC1 1471128600 OQRDKIFJHCFFLP-QMMMGPOBSA-N 320.328 1.413 10 10 DDCE CN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CCC1=O 1470043485 WVAPVRYRQKBAHF-UHFFFAOYSA-N 303.322 1.153 10 10 DDCE COc1cnc(C(C)(C)NC(=O)c2cc(O)cs2)nc1O 1472022474 XMASEBOJWXOIDF-UHFFFAOYSA-N 309.347 1.623 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2cncn2C)cc1C 1713610537 AKMKAZOYYKWMEW-UHFFFAOYSA-N 316.405 1.599 10 10 DDCE CN[C@H]1C(=O)Nc2cc(N3CCS(=O)CC3)c(Cl)cc21 118705775 BYYYBVHYJBCEEB-GFCCVEGCSA-N 313.810 1.121 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@@H]1C[C@@H]1CCCO1 1598215034 KDEYNHBTLIRYIJ-KBPBESRZSA-N 321.373 1.437 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2[nH]cnc2C)cc1C 1690654198 KLGNYRPPTMAJEH-GFCCVEGCSA-N 316.405 1.943 10 10 DDCE COC(=O)[C@H](C)N1C(=O)/C(=C\c2ccccn2)SC1=S 5846132 LSMREKBZHKXJPJ-VKHJRQFRSA-N 308.384 1.844 10 10 DDCE CN(C)c1ccc([C@@H](NC(=O)CCCO)c2nccn2C)cc1 1865942970 SIQWCXBYIANATD-MRXNPFEDSA-N 316.405 1.464 10 10 DDCE Nc1ccc(CC(=O)Nc2cccc(S(=O)(=O)O)c2)cc1 1865956904 NIGHCVRGIAWSQY-UHFFFAOYSA-N 306.343 1.697 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)c(Cl)c1 2144167068 NMMYYYMHKSPWJP-JLLWLGSASA-N 314.838 1.841 10 10 DDCE CCN(c1ccc([C@H](C)N)cc1F)[C@@H]1CCS(=O)(=O)C1 387297835 QJTMRILNNPSDPF-CMPLNLGQSA-N 300.399 1.859 10 10 DDCE O=C(NCc1c(O)cc(O)cc1O)C12CCCN(CCC1)C2 2062486502 RSXMSHLYFAAEEC-UHFFFAOYSA-N 306.362 1.296 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H](C)c3cn(C)nc3C)c2n1 2064905315 YONNCLBIFWGZCP-SECBINFHSA-N 314.349 1.276 10 10 DDCE CN(C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1ccc(CN)cc1Cl 2174639512 PJHJEHYOSTWWLI-CNDDSTCGSA-N 314.838 1.526 10 10 DDCE CN(CC1[C@H]2CS(=O)(=O)C[C@H]12)c1ccc(CN)cc1Cl 2174648500 PJHJEHYOSTWWLI-VXGBXAGGSA-N 314.838 1.526 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H]2[C@@H]3CCC(F)(F)[C@H]32)cc1 2170820471 LXLMZXVQQYLXSM-IJLUTSLNSA-N 302.346 1.732 10 10 DDCE O=S(=O)(CCNCc1cc(F)cc(F)c1O)C(F)(F)F 2232495918 CJXACYZUQHADBI-UHFFFAOYSA-N 319.251 1.695 10 10 DDCE C[C@]1(O)CN(c2ccc(CO)c(Br)c2)CC[C@@H]1O 2081766126 MENTXVGZCJGDTJ-STQMWFEESA-N 316.195 1.263 10 10 DDCE NCc1ccc(N2CC[C@@H]3CC(=O)N[C@H]3C2)cc1Br 2088806397 PAMKMFDTOMLUAP-RNCFNFMXSA-N 324.222 1.623 10 10 DDCE CSc1ncc(CNCCCN2CCN(C)CC2)s1 2208428572 ZEKVIRADEUCHIL-UHFFFAOYSA-N 300.497 1.592 10 10 DDCE O=S1(=O)CCN(c2ccc(CO)cc2Cl)CC12CCC2 2279591864 INLFZBXCCDTDSW-UHFFFAOYSA-N 315.822 1.990 10 10 DDCE CC[C@]1(NCc2cccc(Br)c2O)CCNC1=O 2260434366 BGADKGDVNKEOCR-ZDUSSCGKSA-N 313.195 1.913 10 10 DDCE Cc1ccc(CNC(=O)C[C@@H](C)O)c(O)c1Br 2307462848 BXVJXNSTCKRBFU-MRVPVSSYSA-N 302.168 1.850 10 10 DDCE CCN1CCN(c2ccc(CNS(C)(=O)=O)cc2F)CC1 106896022 FDOJQLPKWMHXRI-UHFFFAOYSA-N 315.414 1.017 10 10 DDCE CCCN(Cc1ccc(OC)cc1O)[C@H]1CCS(=O)(=O)C1 179644384 ZSMMZMRZFCWPPM-ZDUSSCGKSA-N 313.419 1.800 10 10 DDCE CCOC(=O)c1cnn(C)c1NC(=O)Cc1ccc(N)cc1 71699655 OSDNJNZFJWCCPA-UHFFFAOYSA-N 302.334 1.360 10 10 DDCE CN(C1CCOCC1)S(=O)(=O)CCOc1ccc(N)cc1 70490668 UJXRGHQIGKSVFX-UHFFFAOYSA-N 314.407 1.088 10 10 DDCE CN(C(=O)CS(=O)(=O)c1ccccc1)c1ccc(N)cc1 35309369 MXTZKLCWHISMML-UHFFFAOYSA-N 304.371 1.706 10 10 DDCE CC1CCC(O)(CNS(=O)(=O)Cc2ccc(N)cc2)CC1 87044864 XTUMAYYXGZJEFT-UHFFFAOYSA-N 312.435 1.629 10 10 DDCE CC1=NN(C(N)=S)C(=O)[C@H]1N=Nc1ccccc1C(=O)O 253918576 VUEAPVSWUNDMQX-VIFPVBQESA-N 305.319 1.299 10 10 DDCE O=C1CC[C@@H](N2CCN(Cc3cc(F)ccc3O)CC2)CCN1 825148124 QCIKOWMANQABJN-OAHLLOKOSA-N 321.396 1.318 10 10 DDCE CCOc1ccc(CN2CN(CCN(C)C)C(=O)[C@H]2C)c(O)c1 843428624 LEZHIYVSZZJHFE-CYBMUJFWSA-N 321.421 1.343 10 10 DDCE NCc1ccc2c(c1)CCCN2CCn1nc2ccccn2c1=O 843350340 NDOMMTSNIRUUCG-UHFFFAOYSA-N 323.400 1.408 10 10 DDCE Oc1c(F)cccc1CNC1CCC(N2CCNCC2)CC1 841086969 GLNYISNAVQGCKP-UHFFFAOYSA-N 307.413 1.837 10 10 DDCE O=C(NCCN1C[C@@H]2CCCCN2C1=O)c1cc(O)cs1 856143710 FACYGLZXRPLEPZ-JTQLQIEISA-N 309.391 1.474 10 10 DDCE C[C@@]1(C(F)F)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1 856499576 FTUUWOGPRJOMNY-QTLSWZBMSA-N 313.300 1.994 10 10 DDCE CCn1ncc(CNC(=O)NCc2ccc(N(C)C)cc2)n1 858661818 HJDLKMTXRKSUSY-UHFFFAOYSA-N 302.382 1.363 10 10 DDCE C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@@H](C)O1 852587105 RRMHWHOFLKUMGK-CABCVRRESA-N 319.449 1.868 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H]3CO)C2)cc1 854300085 PAOLZJJZXPBBAN-UKRRQHHQSA-N 319.405 1.440 10 10 DDCE NC(=O)[C@@]1(O)CCN(c2ccc(OCc3ccccc3)cc2)C1 1899880898 ADUSRYHTIOKMLD-GOSISDBHSA-N 312.369 1.692 10 10 DDCE O=C(NCc1c(O)ccc2c1CCCC2)[C@@H](O)c1cnc[nH]1 866771943 ZNDIAAQYKDHDJM-HNNXBMFYSA-N 301.346 1.344 10 10 DDCE CO[C@H](C(=O)NCc1ccc2cccnc2c1O)[C@@H]1CCOC1 862024584 BSJHTRYQXKBGPK-CJNGLKHVSA-N 316.357 1.608 10 10 DDCE CC[C@@H]1C[C@H](C)CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1119006117 HQYYCLWNWUXSOC-WCQYABFASA-N 302.374 1.881 10 10 DDCE CN(CC(=O)NCc1ccc(O)c(O)c1)c1ccc(Cl)cn1 778924099 WGAAXASMIDATHV-UHFFFAOYSA-N 321.764 1.899 10 10 DDCE O=C1CC[C@@H](NCc2ccc(Br)cc2O)CCN1 691399130 CTAVTRFMQJQKML-LLVKDONJSA-N 313.195 1.913 10 10 DDCE CN(C)c1ccc(CN2CCC(O)(c3ccnn3C)CC2)cc1 1175845887 RTJXKNVCIYXBGH-UHFFFAOYSA-N 314.433 1.970 10 10 DDCE COc1nsc(OC)c1[C@@H](NCCCN=[N+]=[N-])C(=O)O 1912145160 CTYNELXOEWBLAZ-SSDOTTSWSA-N 301.328 1.576 10 10 DDCE [N-]=[N+]=NC1CN(CC(=O)Nc2ccc(Br)cn2)C1 1912160877 BNNGSQOMTYQQKW-UHFFFAOYSA-N 311.143 1.777 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CO)c1ccccn1 1298491781 SAAPRIZBNVMVPM-IYNGYCSASA-N 300.314 1.356 10 10 DDCE CN(C)c1ccc([C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 1917209310 PHEQFMILMLUMLW-OLZOCXBDSA-N 324.377 1.764 10 10 DDCE Cc1nnc(N2CCOCC2)n1Cc1ccc(N(C)C)c(F)c1 1543355918 RNRMMNVQNRNGRC-UHFFFAOYSA-N 319.384 1.677 10 10 DDCE NC(=O)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1625668736 REUMNUZUQYNQEZ-SECBINFHSA-N 303.322 1.187 10 10 DDCE Cc1nncn1CCNC(=O)c1ccc(N=NC(N)=O)cc1 1634112698 MKLLLGZIYGUEFB-UHFFFAOYSA-N 301.310 1.179 10 10 DDCE NC(=O)CC1CC(NC(=O)c2cc3cc(O)c(O)cc3s2)C1 1645042530 FGHXUQYFPWOJFH-UHFFFAOYSA-N 320.370 1.696 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ncoc1[C@@H]1CCCO1 1651222950 UBOOQMQDSNVZGT-LBPRGKRZSA-N 304.302 1.867 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(O)cc1N 230810750 SYMQAKZIDYOVPE-UHFFFAOYSA-N 302.743 1.162 10 10 DDCE CCOC(=O)[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1866400716 MBUOIRYCGFRQQY-CYBMUJFWSA-N 320.389 1.543 10 10 DDCE C[C@@H](N)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865915892 BQNOXANHVKENIC-RHSMWYFYSA-N 318.465 1.743 10 10 DDCE Cc1cc(NS(=O)(=O)N(C)CCC(=O)O)c(C)cc1O 234297214 FWQVBSRTFSLEOK-UHFFFAOYSA-N 302.352 1.072 10 10 DDCE C[C@@H](NCCNS(=O)(=O)C1CC1)c1cc(F)ccc1O 1964502418 CGBJNNTYMZWORF-SECBINFHSA-N 302.371 1.264 10 10 DDCE CN(CCNC(=O)c1cc(O)c(O)c(O)c1)Cc1ccccc1 1988088731 HNNQMFFBRVFNSI-UHFFFAOYSA-N 316.357 1.665 10 10 DDCE COc1sccc1S(=O)(=O)NCc1cc(N)ccc1O 2152123739 XFFZAOMOGGHFRI-UHFFFAOYSA-N 314.388 1.523 10 10 DDCE CN(c1ccc(CO)cc1Br)[C@H]1C[C@@H](C(N)=O)C1 703530868 SKSRLLYJNKMFJP-AOOOYVTPSA-N 313.195 1.642 10 10 DDCE CNCc1ccc(N(C)CCn2cnnc2)c(Br)c1 707680779 XGVJGAKTBOZWJB-UHFFFAOYSA-N 324.226 1.896 10 10 DDCE CN(Cc1cnns1)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 400040989 ZYZWYRWWDUGOLG-NSHDSACASA-N 309.782 1.780 10 10 DDCE CCN(c1ccc([C@H](C)N)c(O)c1)[C@@H](C)CS(C)(=O)=O 2170403177 MTZSHKVLPHTTCO-QWRGUYRKSA-N 300.424 1.671 10 10 DDCE O=C1N[C@H]2CN(c3ccc(CO)c(Br)c3)C[C@H]2O1 2056811231 GILJDJYZTOOCQR-WDEREUQCSA-N 313.151 1.238 10 10 DDCE COc1cc(N(C)[C@@H](C)CCS(C)(=O)=O)ccc1CN 2204537867 VOOKDEXZFRZSHR-NSHDSACASA-N 300.424 1.413 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H](CC(=O)O)C2CC2)s1 2284503670 FNVDJLLESCCDCD-VIFPVBQESA-N 315.420 1.918 10 10 DDCE COc1ccccc1C=C1C(=O)NC(=O)N(C(C)(C)C)C1=O 2297316041 ZQAMSMGNVWCVGC-UHFFFAOYSA-N 302.330 1.956 10 10 DDCE O=S(=O)(C[C@@H]1N[C@@H]2CC[C@H]1C2)Nc1ccc(O)cc1Cl 2355774662 ONGQWSXVESZUBV-RWEMILLDSA-N 316.810 1.928 10 10 DDCE Cc1noc([C@@H](C)N2CCN(Cc3ccccc3O)CC2)n1 179572091 AURAPJKUDGHOJL-GFCCVEGCSA-N 302.378 1.962 10 10 DDCE O=C1N[C@@H](Cc2ccc(O)c(O)c2)C(=O)N1Cc1ccccc1 303972613 QQKQGUQJNPZAHF-ZDUSSCGKSA-N 312.325 1.761 10 10 DDCE NC1=NC(=O)/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)S1 33933249 JPAAYYWZUMBMSN-UQCOIBPSSA-N 310.247 1.138 10 10 DDCE NS(=O)(=O)c1cccc(CNCc2ccc(O)cc2O)c1 37649935 VZOIQISTLLQOAZ-UHFFFAOYSA-N 308.359 1.035 10 10 DDCE COc1cc(Cl)c(N2CCO[C@H]([C@@H](C)N)C2)c(OC)c1 2368108043 KQCGASZGQVDVQD-RNCFNFMXSA-N 300.786 1.910 10 10 DDCE Oc1ccc(I)cc1[C@@H]1CNCCN1 95783586 QAMUZPFBQBSKEJ-VIFPVBQESA-N 304.131 1.231 10 10 DDCE CCOc1cccc2c1OCC(C(=O)OCC(=O)C(C)=O)=C2 808504787 MXLNPQICAXQINM-UHFFFAOYSA-N 304.298 1.562 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cn(C)nc1Cl 816028291 CAAHQJHCQMZSDX-VIFPVBQESA-N 323.780 1.775 10 10 DDCE COc1cc([N+](=O)[O-])cc([C@@H](CF)N2CCOCC2)c1O 575301316 RSKABWROPFRDNV-LLVKDONJSA-N 300.286 1.652 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cc3c(cn2)OCCO3)cc1 819021178 MUEMGPPXPNXJCR-UHFFFAOYSA-N 313.357 1.849 10 10 DDCE Nc1ncc(S(=O)(=O)Nc2ccc(O)cc2Cl)cn1 722255399 LFPBWJIXDIFDEP-UHFFFAOYSA-N 300.727 1.219 10 10 DDCE O=C1N=C(N2CCOCC2)S/C1=C/c1cnn2ccccc12 729643865 JECJMZOMEPDEBG-UKTHLTGXSA-N 314.370 1.637 10 10 DDCE N[C@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1C(F)(F)F 903981587 GQLTZSFODGCTSI-ZJUUUORDSA-N 318.295 1.832 10 10 DDCE CO[C@@](C)(CO)CNC(=O)NCc1ccc(N2CC=CC2)cc1 847324552 SOLMQDFCCZIKBL-QGZVFWFLSA-N 319.405 1.259 10 10 DDCE Cc1cc(O)c(CNCCCN(C)S(C)(=O)=O)c(Cl)c1 840876954 UWLDSJNTLKBSTB-UHFFFAOYSA-N 320.842 1.725 10 10 DDCE COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@H](C)N)CC2)cc1 842005638 OFONANINIKMMQW-KBPBESRZSA-N 320.437 1.653 10 10 DDCE CC[C@@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(N(C)C)cc1 927028345 IMXFRHCBLLONJD-LSDHHAIUSA-N 314.451 1.199 10 10 DDCE CC(C)(C)n1cnc(NC(=O)NCCc2ccc(O)c(O)c2)n1 753007491 QOOHVTRWRSBUNE-UHFFFAOYSA-N 319.365 1.809 10 10 DDCE COC[C@@H](CCCN)NCc1ccc(N2CCC(O)CC2)cc1 854230086 GNIXCXFXYQIVMO-MRXNPFEDSA-N 321.465 1.491 10 10 DDCE NC1(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 852860100 JYBROLKLOPLJSK-UHFFFAOYSA-N 321.396 1.284 10 10 DDCE CN(C)[C@@H](C(=O)NCc1c(O)cccc1F)c1cncn1C 928707348 CXWBQPJXOILWJC-CQSZACIVSA-N 306.341 1.184 10 10 DDCE N[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)C12CCC2 925499827 ATUZRUFQIQSRBL-IAGOWNOFSA-N 301.434 1.883 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)CCCO)C2)cc1 853846984 ZPLXVBAWVIHTNG-ZIAGYGMSSA-N 321.421 1.734 10 10 DDCE Cc1cc(Br)c(O)c(CN2CCCNC(=O)C2)c1 781900669 KHOHBEGSTCXBHP-UHFFFAOYSA-N 313.195 1.785 10 10 DDCE CCOc1cccc(CN[C@H]2C(=O)NCC23CCOCC3)c1O 895772552 HMZVQUPABUPTRV-HNNXBMFYSA-N 320.389 1.176 10 10 DDCE C[S@](=O)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1 1299572185 DPUGMVNXUPTSRX-NRFANRHFSA-N 305.355 1.765 10 10 DDCE O=C(Cc1cnn2c1CCCC2)NCc1c(O)cccc1O 1472063577 NIHHOCAQHSRNRU-UHFFFAOYSA-N 301.346 1.490 10 10 DDCE CN1C(=O)c2ccccc2[C@H]1CNC(=O)c1cccc(O)c1O 1471130238 DFBRWHDUTQHQCX-CYBMUJFWSA-N 312.325 1.655 10 10 DDCE O=C1C[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)N1 1556879329 KTSXGLCWSBSMJT-NSHDSACASA-N 307.313 1.223 10 10 DDCE CN(C)C(=O)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1624815699 ZPWFVOFLLMBWJJ-UHFFFAOYSA-N 314.341 1.981 10 10 DDCE C[S@](=O)c1ccc(CC(=O)NCc2ccc(O)cc2O)cc1 1638352589 SBMIDQVVGBFHLA-QFIPXVFZSA-N 319.382 1.694 10 10 DDCE O=C(CS(=O)(=O)C1CCCC1)NCc1ccc(O)cc1O 1639444220 CANALRWWDBFCBG-UHFFFAOYSA-N 313.375 1.071 10 10 DDCE COC[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H](C)O1 1638833312 NASJJHILIJVRCK-ZWNOBZJWSA-N 320.349 1.725 10 10 DDCE Cc1cn2nnc(C(=O)N[C@@H](C)c3ccccc3O)c2c(O)n1 1643745071 HHZGQFZLKQYLLM-VIFPVBQESA-N 313.317 1.335 10 10 DDCE COc1ccc(CNC[C@H](C)N(C)C(=O)[C@@H]2CCOC2)cc1C 1666865736 WCTKRAVDPVWNMA-GOEBONIOSA-N 320.433 1.977 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2ncc[nH]2)cc1C 1669549021 DXBRXSDGDHGBBW-LBPRGKRZSA-N 302.378 1.635 10 10 DDCE CC(=O)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)CC1(F)F 1888172149 UMDMHOGKWIIJKO-GFCCVEGCSA-N 307.293 1.152 10 10 DDCE CN(C[C@@H]1C[C@H]1C(F)F)S(=O)(=O)Cc1ccc(N)cc1 2159756995 BIEPAVFQDGUSMV-CMPLNLGQSA-N 304.362 1.932 10 10 DDCE CCOC(=O)c1cnc(SC[C@@H]2CN(C)CCO2)s1 400765562 JYGBXCWWDJFANA-VIFPVBQESA-N 302.421 1.743 10 10 DDCE CC(C)S(=O)(=O)C[C@@H](C)N[C@H](C)c1c(O)cccc1O 2170584906 GQBURAXOBWHTJD-GHMZBOCLSA-N 301.408 1.960 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCN2CCOC[C@@H]12 2065141035 SWPLUBRFAYPWHQ-CVEARBPZSA-N 318.417 1.852 10 10 DDCE O=C1CN(c2ccc(CO)cc2Br)[C@H]2CC[C@@H]2N1 2049367328 OJYWZUADLNESNW-JQWIXIFHSA-N 311.179 1.409 10 10 DDCE O=C(N[C@H]1CCCC2(CC1)OCCO2)c1ccc(O)c(O)c1 2095752156 ALQZSXTUMZHEFQ-LBPRGKRZSA-N 307.346 1.903 10 10 DDCE O=C(O)CN1CC(NCc2cc(Cl)cc(Cl)c2O)C1 2113036142 YPTMEKDKUGSAOB-UHFFFAOYSA-N 305.161 1.557 10 10 DDCE CNC[C@H](C)CS(=O)(=O)NCc1cnc(SC)s1 2257095553 BFZNNHHGEVWTBW-QMMMGPOBSA-N 309.482 1.140 10 10 DDCE Cc1cc(N(C)CCN(C)S(C)(=O)=O)ccc1[C@H](C)O 2285172692 KOBWJHLSYISKCC-LBPRGKRZSA-N 300.424 1.376 10 10 DDCE CCN[C@@H](c1ccccc1O)c1nc(Br)nn1C 2328457372 MSYVUTZFFILKMQ-JTQLQIEISA-N 311.183 1.982 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CCO[C@@H]4C[C@@H]43)c(Br)cc21 2330205061 XLXKYDALKPFOKU-QJPTWQEYSA-N 324.178 1.379 10 10 DDCE COCCN1CCN(Cc2cc(F)cc(C(C)=O)c2O)C[C@@H]1C 175646653 FCWUBRFRGJXUCD-LBPRGKRZSA-N 324.396 1.886 10 10 DDCE CC[C@H](COC)NC(=O)N1CCN(c2ccc(OC)cc2)CC1 172399070 KXLWFRINNSGCMB-CQSZACIVSA-N 321.421 1.952 10 10 DDCE CN(C(=O)CN(CCO)Cc1ccccc1)c1ccc(N)cc1 302932013 IDDKEOURFGTWFT-UHFFFAOYSA-N 313.401 1.726 10 10 DDCE COc1ccc(CN2CCOC[C@@H]2c2nc(C)no2)c(O)c1 188478642 YJRCVSYVVJSLQH-CYBMUJFWSA-N 305.334 1.666 10 10 DDCE CN1[C@H]2CC[C@H]1CN(S(=O)(=O)Cc1ccc(N)cc1)CC2 252650760 ZIJXDTVTFOWLCR-GJZGRUSLSA-N 309.435 1.267 10 10 DDCE CCOc1ccc(O)c(CN2CC(n3cc([C@H](C)O)nn3)C2)c1 374794448 AOEKJEXNAFNWHD-NSHDSACASA-N 318.377 1.493 10 10 DDCE CN1CCN(C)[C@@H](CNCc2cc(Cl)c(F)cc2O)C1 293511428 CEYCCMUSQIYRGU-NSHDSACASA-N 301.793 1.520 10 10 DDCE Nc1ccc(CCNS(=O)(=O)c2cnccc2Cl)cc1 2162377925 OVQSZUVJBPSRNF-UHFFFAOYSA-N 311.794 1.838 10 10 DDCE CC[C@@H](Cn1cncn1)NCc1ccc(N2CCOCC2)cc1 810212463 BNSFGRNZGGLTAQ-INIZCTEOSA-N 315.421 1.683 10 10 DDCE CO[C@]1(C(=O)O)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 901542360 ORRZEAQMGSLOMS-LAQIPUCWSA-N 304.390 1.941 10 10 DDCE CN(C)c1ccc(/C=C\CN2CC[C@H](S(N)(=O)=O)C2)cc1 835044726 DFPBGACQVLMHIT-JZIMQPMSSA-N 309.435 1.129 10 10 DDCE C[C@H]1[C@@H](N)CCN1C(=O)NCCCSc1nccs1 841858413 YQQWPUFRAQZKIH-UWVGGRQHSA-N 300.453 1.756 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN(C)[C@@H]1C 919081993 QDRDQFBSFRGWPD-CJNGLKHVSA-N 304.438 1.953 10 10 DDCE CCOc1cc(O)ccc1NS(=O)(=O)C[C@H](OC)C1CC1 842588131 KXVZNVXAVWDDSZ-AWEZNQCLSA-N 315.391 1.958 10 10 DDCE COc1ccc(CNC(=O)c2cnc3n2CCOC3)c(O)c1 846948773 ABQWFXYGCIHNKM-UHFFFAOYSA-N 303.318 1.058 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN[C@H]2CCCN3CCSC[C@H]23)c1 922525737 SJILOVOKNARCQD-UONOGXRCSA-N 323.418 1.970 10 10 DDCE CC(C)O[C@@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCOC1 928753684 VDBIEHQSTYGENP-XQDHMALISA-N 321.373 1.811 10 10 DDCE CN(Cc1ncc[nH]1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 757924963 RCPIAKKSEHHIBA-UHFFFAOYSA-N 303.278 1.285 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCC(C)(C)OC)C2)cc1 852149573 JWJGISZSIIUUAS-CYBMUJFWSA-N 321.421 1.998 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](O)[C@H]2CCCO2)c1 858469777 SNUUYJPEMXCNME-COLVAYQJSA-N 309.362 1.369 10 10 DDCE CCO[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C1CCOCC1 866755031 FKLXGWVFSSBPDH-MRXNPFEDSA-N 323.389 1.588 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1O 933756275 RALDMCDGJZARQE-SJCJKPOMSA-N 320.364 1.821 10 10 DDCE O=c1c([N+](=O)[O-])cccn1Cc1ccc(N2CCOCC2)cc1 877889720 OMGZMYLKGUHWBV-UHFFFAOYSA-N 315.329 1.641 10 10 DDCE CCOc1ccc(O)c(CN2CCN3C(=O)OCC[C@@H]3C2)c1 770392299 PGFXMADMIHAOSF-CYBMUJFWSA-N 306.362 1.817 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H](CO)C3)c1O 898163829 MRVRSYOLXORALT-VZZFWQQMSA-N 320.389 1.607 10 10 DDCE COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(F)cc(F)c1O 895867612 WYRGGSSTGMRURB-WCQYABFASA-N 315.316 1.871 10 10 DDCE O=C1CN(Cc2cc(F)cc(F)c2O)CCN1CC(F)(F)F 894757691 ZXQBDCPQBYKAJA-UHFFFAOYSA-N 324.249 1.877 10 10 DDCE CN1C(=O)NC(=O)/C(=C/c2ccc(Br)cc2)C1=O 1084105939 UXFFKMSOBRZOOP-TWGQIWQCSA-N 309.119 1.541 10 10 DDCE C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1c(O)cccc1O 1178905974 UMDKBTDQKARZBL-QFYYESIMSA-N 315.325 1.943 10 10 DDCE CS(=O)(=O)c1sccc1[C@@H](NCCCN=[N+]=[N-])C(=O)O 1912210726 NACTZIMKDZWGPE-MRVPVSSYSA-N 318.380 1.567 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(O)C3)cc1 1444675772 WEDWNCLRZKLMBH-RYUDHWBXSA-N 302.334 1.977 10 10 DDCE CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC 1557190826 KIISDSMDCULBBB-SECBINFHSA-N 306.322 1.778 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1ccc(Cn2ccnn2)cc1 1630273504 QHVSZNMVAWCACH-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE COc1ccc(CNCCN(C)C(=O)C[C@@H](C)OC)cc1C 1493497135 YQNBAPXXSZUOJQ-CQSZACIVSA-N 308.422 1.977 10 10 DDCE C[C@H](c1ccccc1)[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1631412607 OTFKIOXKVCUABT-DOMZBBRYSA-N 315.369 1.921 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cccc(-n2ccnn2)c1 1630389586 IBMIWIOVGSVHEI-UHFFFAOYSA-N 310.313 1.860 10 10 DDCE Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1cc(O)ccc1O 1633595188 LHLOFTBQBYPTAJ-VIFPVBQESA-N 303.362 1.868 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@]2(CCCOC2)C1 1640451689 JILUDTORNHEMRV-MRXNPFEDSA-N 307.346 1.048 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cc2c(cc1O)OCO2 1645048213 LODUSHWZRMHJMQ-UHFFFAOYSA-N 305.261 1.896 10 10 DDCE CC(C)C(=O)N1CCCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169846360 MPRNQTSZZIZCOC-UHFFFAOYSA-N 322.361 1.134 10 10 DDCE COc1cc(O)c(CN2CC[C@@H](N3CCOCC3)C2)cc1OC 160297520 WBSJRJAKINXZIZ-CQSZACIVSA-N 322.405 1.316 10 10 DDCE CC(C)(C)OC(=O)N1CCc2c(N3CC(N)C3)ccc(N)c2C1 1989342474 GAZXSGYIOVYCEU-UHFFFAOYSA-N 318.421 1.709 10 10 DDCE OCc1ccc(N2CCCC2(CO)CO)c(Br)c1 2029385811 XRUXEZQVSDEVDL-UHFFFAOYSA-N 316.195 1.265 10 10 DDCE CN1CCOC[C@H]1CNCc1cc(Br)ccc1O 700189963 GUEWESSDFWHWAX-GFCCVEGCSA-N 315.211 1.575 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@H]3CCCCN(C)C3)c2n1 2062118565 KYAIBKUHYCSUAL-GFCCVEGCSA-N 317.393 1.205 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC(C)(C)OC[C@@H]3C)c2n1 2063450230 IZIIQHSQUGBJQS-JTQLQIEISA-N 304.350 1.383 10 10 DDCE Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@H](O)C[C@H]1O 2046487503 CXLLRKYPUFODNX-JMJZKYOTSA-N 320.158 1.268 10 10 DDCE CN1CC[C@H](NCc2cccc(Br)c2O)CC1=O 2068218363 RWJNEKHNSTUECV-JTQLQIEISA-N 313.195 1.865 10 10 DDCE CSc1ncc(CNS(=O)(=O)CC(F)(F)F)s1 2248741302 NIRXLWQKDTZBAH-UHFFFAOYSA-N 306.356 1.847 10 10 DDCE CSc1ncc(CNC(=O)[C@@H](CN)[C@@H]2CCOC2)s1 2269188568 QMCVVHYSRHCFNL-SCZZXKLOSA-N 301.437 1.093 10 10 DDCE CC(=O)N1CCN(N=Nc2ccc(N3CCOCC3)cc2)CC1 2330245742 HORPQMZBGBYEKS-UHFFFAOYSA-N 317.393 1.686 10 10 DDCE NC(=O)C1CCN(N=Nc2ccc(N3CCOCC3)cc2)CC1 2330358472 FCCPVKHFGPEOIU-UHFFFAOYSA-N 317.393 1.719 10 10 DDCE O=C(O)[C@]1(Sc2nccs2)CCCS(=O)(=O)CC1 2326902651 CJPYOZVMADMPOV-JTQLQIEISA-N 307.418 1.657 10 10 DDCE CCOc1cccc(CN[C@@H](C)CS(=O)(=O)CC)c1O 113349703 FEYXXYCDLMQVRQ-NSHDSACASA-N 301.408 1.704 10 10 DDCE COC[C@H](O)CN(C)c1ccc([C@H](C)N)cc1Br 109569854 VIAUOTZLULHPCS-GXSJLCMTSA-N 317.227 1.912 10 10 DDCE O=S(=O)([C@@H]1CCN(Cc2ccccc2O)C1)N1CCCC1 179586765 HQKZNZCUUOTSDQ-CQSZACIVSA-N 310.419 1.392 10 10 DDCE N[C@@H](CO)c1cc([N+](=O)[O-])c(Br)c(Cl)c1O 72199856 FXLVSAUCVALCAO-BYPYZUCNSA-N 311.519 1.708 10 10 DDCE CC1=NN(c2ccc3nncn3n2)C(=O)/C1=C\Nc1ccccc1 36354847 MNQXHIDZCZLPEW-LCYFTJDESA-N 319.328 1.843 10 10 DDCE COc1ccc(N2CCN(C(=O)c3cncnc3N)CC2)cc1 192327812 IDIBNKZRECPCPA-UHFFFAOYSA-N 313.361 1.030 10 10 DDCE CN(Cc1cnccn1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 91484014 ORUBZTMERLAFJO-UHFFFAOYSA-N 315.289 1.352 10 10 DDCE CCNC(=O)N1CC[C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2O)C1 273460460 IAVADUHYRVJHHH-GHMZBOCLSA-N 322.365 1.755 10 10 DDCE COc1ccc(CNS(=O)(=O)CC(C)(C)OC)c(O)c1 809841605 PNYGLLHLJOQVQN-UHFFFAOYSA-N 303.380 1.245 10 10 DDCE CCn1ncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 292665041 LEKPKUMMQIJDIM-UHFFFAOYSA-N 315.377 1.269 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(F)c(C)c2)C1 808535159 ZZECKEINYFCXTH-NSHDSACASA-N 321.304 1.188 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cc2c(cn1)OCCO2 819399022 YSXCXKVCFXZCTM-UHFFFAOYSA-N 316.313 1.237 10 10 DDCE COC[C@H](CCCN)NC[C@H]1CCN(c2ccc(OC)cc2)C1 818616122 TWNNOTHCUDTTGS-CVEARBPZSA-N 321.465 1.865 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H](O)C1CCC1 825394145 SQSLHPFCNJAKDT-INIZCTEOSA-N 304.390 1.300 10 10 DDCE Fc1cc(CNC2=NCCCCN2)ccc1N1CCOCC1 849215349 FCNHUVXSLJBEJV-UHFFFAOYSA-N 306.385 1.491 10 10 DDCE CN1CCN(c2ccc(CN(CC(=O)O)CC3CC3)cc2)CC1 844936946 RFHPGHISTOVQTJ-UHFFFAOYSA-N 317.433 1.735 10 10 DDCE CC[S@@](=O)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 740917064 KTUNGPRGJHRIKO-JOCHJYFZSA-N 321.446 1.631 10 10 DDCE O[C@H](CNCc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 858227443 UKKKPGKQJISBTH-IAGOWNOFSA-N 306.406 1.153 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCC3(CO)CC3)C2)cc1 854299988 NPDRLJRYXAPCQA-CYBMUJFWSA-N 319.405 1.346 10 10 DDCE NC(=O)CC1CC(NCc2ccc(N3CCOCC3)cc2)C1 922512851 JURWSWHLKQAUJO-UHFFFAOYSA-N 303.406 1.267 10 10 DDCE C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 1952913156 HHAUNHWZUXVCOS-KOLCDFICSA-N 324.377 1.450 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H]1[C@H](N)Cc1ccc(O)c(O)c1 1952964754 OLHKBQMMYHOVLU-VXGBXAGGSA-N 308.378 1.977 10 10 DDCE C[C@@H](Sc1nncn1C)C(=O)N1Cc2cccc(O)c2C1 871201533 WKQGTSRHTOEAES-SECBINFHSA-N 304.375 1.544 10 10 DDCE O=C(NC[C@@H]1COCCO1)c1cc2cc(O)c(O)cc2s1 895804220 JNBBGHKQPVMUSL-SECBINFHSA-N 309.343 1.458 10 10 DDCE CCN(CC)c1ccc([C@@H]2NC(=O)NC(C(=O)O)=C2OC)cc1 76256341 IKIVUJQCIVZBJU-LBPRGKRZSA-N 319.361 1.829 10 10 DDCE CNS(=O)(=O)NCCc1cc(C)n(-c2ccccc2)c1C 795776634 XIEITJLEESQHHY-UHFFFAOYSA-N 307.419 1.690 10 10 DDCE C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)NCCF 1266191332 AGAYPWMCHKYRJO-SNVBAGLBSA-N 309.345 1.917 10 10 DDCE CC(C)O[C@@H]1CS(=O)(=O)C[C@H]1N1CCC(N=[N+]=[N-])CC1 1912190618 GPFTXAJYAKSIAC-VXGBXAGGSA-N 302.400 1.352 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1 1912189315 VOLWULFHFKTFII-QWRGUYRKSA-N 300.384 1.503 10 10 DDCE O=C(CCN1C(=O)CSC1=S)Nc1cc(Cl)ccn1 1865769074 VBHGMTBYJMRAMS-UHFFFAOYSA-N 315.807 1.924 10 10 DDCE CS[C@H]1C[C@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1 2134056287 NKVVLMRQVOPING-AULYBMBSSA-N 300.449 1.830 10 10 DDCE CN1C[C@@H]2CC[C@H](NC(=O)N3Cc4cccc(O)c4C3)[C@H]2C1 1521372219 FDOOPUKTYLKWPB-YDHLFZDLSA-N 301.390 1.758 10 10 DDCE O=C(Cn1ncc(=O)c2ccccc21)N1Cc2cccc(O)c2C1 1455037356 QDPNLUYBTIXPMW-UHFFFAOYSA-N 321.336 1.645 10 10 DDCE CCN(CC)C(=O)CCCNC(=O)Cc1ccc(O)c(O)c1 1543559609 YVBYJZBRVCRBNM-UHFFFAOYSA-N 308.378 1.405 10 10 DDCE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)N1CCCCC1=O 1625527328 TVOQMXXORRNDOV-NSHDSACASA-N 306.362 1.158 10 10 DDCE CC(C)(C)OC(=O)COCC(=O)NCc1ccc(O)cc1O 1557085529 ORLGCPDYYUFBBC-UHFFFAOYSA-N 311.334 1.072 10 10 DDCE C[C@@H]1OCC[C@]12CN(C(=O)Cc1ccc(O)c(O)c1)CCO2 1634747229 WTXQERROSPCPKW-ZBEGNZNMSA-N 307.346 1.047 10 10 DDCE O=Cc1ccc(OCCC(=O)NCc2cc(O)ccc2O)cc1 1651222921 RVXWWGRWEUBJTO-UHFFFAOYSA-N 315.325 1.996 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cnc2[nH]c(O)nc2c1 1593881364 ISVIRCNYFIDRTH-UHFFFAOYSA-N 300.274 1.005 10 10 DDCE CNC(=O)c1ccccc1N(C)C(=O)/C=C(\C)c1cnccn1 1597683828 KSXDBFCAXDEQEU-ZRDIBKRKSA-N 310.357 1.903 10 10 DDCE C[C@@H](c1ccccc1O)N(C)C(=O)[C@H]1CCCCS1(=O)=O 168652643 QEEBOWCDGBDFIB-SMDDNHRTSA-N 311.403 1.879 10 10 DDCE COC(=O)/C=C/c1ccc(N2CCN(C)C(=O)C2)c([N+](=O)[O-])c1 156629534 RPLRQVUTZVRZBI-GQCTYLIASA-N 319.317 1.059 10 10 DDCE CCOC(=O)N1CCC(NC(=O)COc2ccc(N)cc2)CC1 322010656 SHTZRIXXCZRACM-UHFFFAOYSA-N 321.377 1.385 10 10 DDCE Cc1c(OCCOc2ccc(N)cc2)c(=O)ccn1CCO 1857911292 XUMPWTOEDXVATD-UHFFFAOYSA-N 304.346 1.189 10 10 DDCE C[C@@H](CC(N)=O)N(C)c1ccc(CN)cc1Br 1946068570 YTLIYDRZBUANRH-QMMMGPOBSA-N 300.200 1.608 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)[C@H](C)C(N)=S 1877528170 BPTCNXFIUSEYRL-RKDXNWHRSA-N 302.421 1.389 10 10 DDCE O=C(NCc1ccccc1O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1179431795 JDLOAVKRYAZHCD-ACJLOTCBSA-N 308.337 1.918 10 10 DDCE CC(C)(C)OC(=O)N1CCN(CCCCN=[N+]=[N-])C[C@H](O)C1 1962300016 PALBNDHQSRSSFT-LBPRGKRZSA-N 313.402 1.991 10 10 DDCE O=C(N=c1nc(Br)[nH]s1)c1cccc(O)c1O 2001593539 GSJHQURVQHWXNB-UHFFFAOYSA-N 316.136 1.386 10 10 DDCE COc1cc(Cl)cc(CNC[C@H]2OCCO[C@H]2C)c1O 2143725583 KNVKXRSFDHCACL-TVQRCGJNSA-N 301.770 1.948 10 10 DDCE C[C@@H](N)c1ccc(N2CC(O)(CO)C2)cc1Br 2004527154 ZGWBAOHUFAAAGZ-MRVPVSSYSA-N 301.184 1.012 10 10 DDCE NCc1ccc(N2C[C@@H](F)[C@@H](CO)C2)c(Br)c1 2008017675 OHYUCTVUYQKNCJ-MWLCHTKSSA-N 303.175 1.674 10 10 DDCE CNCc1ccc(N2C[C@H]3[C@H](O)C[C@H]3C2)cc1Br 2033981908 XGZATDMHBBKNMP-ZKYQVNSYSA-N 311.223 1.986 10 10 DDCE NCc1ccc(N2CC(N3CCC3)C2)c(F)c1Br 2034793194 HBDXLRHMRVCCCJ-UHFFFAOYSA-N 314.202 1.941 10 10 DDCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1COC[C@H]1O 709378828 XMLCKRYOQVTJQE-VXGBXAGGSA-N 319.174 1.243 10 10 DDCE CN(C)[C@H]1[C@@H]2CN(c3ccc(CN)cc3Br)C[C@@H]21 395020751 MUOVNTLKLGXXNV-YABSGUDNSA-N 310.239 1.904 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H]3C[C@H](N(C)C)C3(C)C)c2n1 2063917113 VJJJNASLIUDNNN-RYUDHWBXSA-N 317.393 1.202 10 10 DDCE C[C@H](O)[C@H]1CN(c2ccc(CN)cc2Br)CCO1 2053844006 HQEVHPDMMGOIRN-TVQRCGJNSA-N 315.211 1.494 10 10 DDCE CC1(C)[C@H](O)[C@H](O)CN1c1ccc(CO)cc1Br 2060876297 UWGVJHZBCVOLGT-VXGBXAGGSA-N 316.195 1.262 10 10 DDCE NCc1ccc(N2CCn3nncc3C2)c(Br)c1 2066538131 PUWYZILBLXCNGZ-UHFFFAOYSA-N 308.183 1.520 10 10 DDCE CO[C@@H]1CCN[C@@H](C(=O)NCc2cnc(SC)s2)C1 2269093673 DRFXMDSPQNLPKH-PSASIEDQSA-N 301.437 1.248 10 10 DDCE COC(=O)c1ccc(C=C2SC(=S)N(CCO)C2=O)cc1 2294874811 VIPMNSXDVPIMBL-UHFFFAOYSA-N 323.395 1.667 10 10 DDCE Cc1ccc(CN2CCN(C)C(=O)C2)c(O)c1Br 2327602665 KAKPCCGGWKFEOS-UHFFFAOYSA-N 313.195 1.737 10 10 DDCE Cc1ccc(CNC(=O)[C@@H]2C=CCN2)c(O)c1Br 2327789727 OJEODSFSJPSZFK-JTQLQIEISA-N 311.179 1.607 10 10 DDCE CCOC(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3C)CC1 62093272 ZEEMDGYFGPBSIV-UHFFFAOYSA-N 317.389 1.874 10 10 DDCE CCN(CC(=O)NC)c1ccc(CN)cc1Br 213053218 ORCGAVLGJRDBKC-UHFFFAOYSA-N 300.200 1.480 10 10 DDCE O=C1NC[C@@H](CNCc2c(O)cccc2Br)O1 1963623028 LYZBRVCPHDCBPQ-SSDOTTSWSA-N 301.140 1.353 10 10 DDCE COc1cc([C@H]2N[C@H](C(=O)O)CS2)c(O)c([N+](=O)[O-])c1 83242830 AQQJOILINJJUIX-XVKPBYJWSA-N 300.292 1.097 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccc(O)nc1 611650000 LPXZRHIKBYMWJB-UHFFFAOYSA-N 313.357 1.821 10 10 DDCE COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cccc(O)c1O 276292668 UIFJTTPQUXMVFY-NRUUGDAUSA-N 305.330 1.512 10 10 DDCE CN1C(=O)C(=Cc2ncc(C(F)(F)F)s2)C(=O)N(C)C1=O 278620095 FABLZCAROKXACA-UHFFFAOYSA-N 319.264 1.596 10 10 DDCE NC(=O)Cn1nc(Cc2ccc(N)cc2)c2ccccc2c1=O 821186932 NZPDIUVSDNFHQM-UHFFFAOYSA-N 308.341 1.055 10 10 DDCE COc1cccc(CN2CC[C@@H](CN3CCOC3=O)C2)c1O 824451343 SYRRZHQLJOKEDE-GFCCVEGCSA-N 306.362 1.675 10 10 DDCE O=C(NC1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1)C1CCC1 588522974 QOSMIPQSUOSFMG-ALCCZGGFSA-N 316.357 1.238 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CC1(O)CCOCC1 905447888 IYFFPGBGDLVZIQ-UHFFFAOYSA-N 306.406 1.643 10 10 DDCE COC(=O)CCCCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 832280094 MUHKVONMABWSBS-HNNXBMFYSA-N 321.421 1.602 10 10 DDCE CCc1cccc(CN[C@H](C(=O)OC)c2ccnn2C)c1O 848920113 XNYZNAFKYFNZAX-AWEZNQCLSA-N 303.362 1.692 10 10 DDCE C[C@@H](CC(=O)NCc1ccc(N2CCCCC2)cc1)NC(N)=O 847399916 IYIXNGRUVZMIPP-ZDUSSCGKSA-N 318.421 1.740 10 10 DDCE COc1ccc(N2CC[C@@H](N3C(=O)NC(C)(C)C3=O)C2)cc1 849356946 IILBERMPENHPBH-GFCCVEGCSA-N 303.362 1.604 10 10 DDCE CN(C)c1ccc(CN[C@@H]2CCc3nnn(C)c3C2)cc1F 922995215 KMZHIXDPZQFKGJ-GFCCVEGCSA-N 303.385 1.667 10 10 DDCE COCCCOCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855227940 SATQGZSPIAUKQG-CQSZACIVSA-N 322.405 1.443 10 10 DDCE CC[S@@](=O)CCNC(=O)NCCCSc1nccs1 759579083 ASQOCDPNBWHDIR-LJQANCHMSA-N 321.493 1.693 10 10 DDCE CO[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCOC1 855211978 UOXWLGXKMSBRAU-RFCFBSKUSA-N 307.346 1.279 10 10 DDCE CC(=O)C(=O)COC(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1 859979635 NJXMJLYZCKPMMV-LLVKDONJSA-N 311.334 1.301 10 10 DDCE CCn1cc(CC(=O)NCc2ccc(N3CCCC3)cc2)nn1 930206559 ZKJFFSORNFFIBM-UHFFFAOYSA-N 313.405 1.757 10 10 DDCE O=C1OC[C@H]2CN(Cc3cccc(Br)c3O)C[C@@H]12 862545329 PBIDPIGPLXCRGU-NXEZZACHSA-N 312.163 1.760 10 10 DDCE Cc1nnc(NNC(=S)Nc2ccc3c(c2)CCC3)n1C 863206499 STQFQQCJEBBZJB-UHFFFAOYSA-N 302.407 1.926 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ncoc1[C@@H]1CCCO1 1153792196 OPURAEMZSSOLHV-NSHDSACASA-N 304.302 1.867 10 10 DDCE Cc1ccc(C(=O)N2[C@@H](C)[C@H](C(N)=O)CC[C@H]2C)c(O)c1O 1163553229 OAPSGFLHWPDBLH-OUAUKWLOSA-N 306.362 1.521 10 10 DDCE NCCCCNC(=O)NCc1cc(Br)ccc1O 1327486248 KTCBNVQZIZPBFB-UHFFFAOYSA-N 316.199 1.693 10 10 DDCE Cn1c(Br)nnc1CNCCCc1ccc(N)cc1 2121521337 QRKKGHWNTDRECC-UHFFFAOYSA-N 324.226 1.882 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 1345920599 VSLZINPYBZVELY-MRVWCRGKSA-N 302.374 1.655 10 10 DDCE CNS(=O)(=O)NCc1ccc(C)c(Br)c1O 1905140070 WOFHIPZBCCNPGI-UHFFFAOYSA-N 309.185 1.017 10 10 DDCE CS(=O)(=O)c1ccsc1CNCc1ccc(O)c(O)c1 1912411859 STJGHCUGQYYLHD-UHFFFAOYSA-N 313.400 1.853 10 10 DDCE CN(CC(N)=O)c1ccc(C=CC(=O)O)cc1Br 1911796356 BUPXSABHKUIQRE-UHFFFAOYSA-N 313.151 1.468 10 10 DDCE NCc1ccc(N(CCO)C2COC2)c(Br)c1 1915535585 HDVJLGXUIHGUNK-UHFFFAOYSA-N 301.184 1.105 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H]3CN(C)C[C@@H]32)c1 1521372725 JCYWBQUALDWYRQ-VHDGCEQUSA-N 303.406 1.840 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)c1ccc(F)cc1 1468368040 WEWRCNIRBVBVIW-CYBMUJFWSA-N 305.305 1.629 10 10 DDCE CC(C)(O)[C@@H](O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 1616179868 IYCQHIAAMAKCMQ-HOCLYGCPSA-N 309.406 1.505 10 10 DDCE COC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccs1 1627266738 HXEHHNPNLMLALH-AWEZNQCLSA-N 321.354 1.732 10 10 DDCE C[C@H]1CCCC[C@@]12CC(=O)NN2C(=O)Cc1ccc(O)c(O)c1 1629316413 XOWXSXJGOJJVFN-APPDUMDISA-N 318.373 1.853 10 10 DDCE CNC(=O)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1626931905 HGKCXLRALSHXSH-JTQLQIEISA-N 303.322 1.057 10 10 DDCE C[C@]1(C(=O)NCc2ccccc2O)Oc2ccccc2NC1=O 1566373736 BTBUNCPFUSBSDU-QGZVFWFLSA-N 312.325 1.798 10 10 DDCE COC(=O)c1ccnc(NCc2cc(O)ccc2O)c1[N+](=O)[O-] 1655814592 BKWNVTFJVZYWTP-UHFFFAOYSA-N 319.273 1.800 10 10 DDCE Nc1c(C(=O)N2Cc3cccc(O)c3C2)cnn1-c1ccccn1 1587928004 FNLSJBXMSVDNEQ-UHFFFAOYSA-N 321.340 1.711 10 10 DDCE Nc1ccc(Cc2ccc(NC(=O)CNCC(=O)O)cc2)cc1 1866110271 WAHXKECEYZCRLA-UHFFFAOYSA-N 313.357 1.472 10 10 DDCE CON(C)C1CN(c2ccc(CN)cc2Br)C1 1941106028 BNVVMPUIGHUCSF-UHFFFAOYSA-N 300.200 1.590 10 10 DDCE OC[C@@H]1COC[C@@H]1NCc1c(O)cccc1Br 1942687938 KEJJNXSFAPFHPK-KCJUWKMLSA-N 302.168 1.252 10 10 DDCE CS(=O)(=O)C[C@H]1CCCCN1Cc1ccc(F)cc1O 1964592876 AIFIJDKPUICCRQ-CYBMUJFWSA-N 301.383 1.930 10 10 DDCE Nc1ccc(NC(=O)CS(=O)(=O)CCC(F)(F)F)cc1 1968635414 JQNZGMCEBPDRCH-UHFFFAOYSA-N 310.297 1.575 10 10 DDCE NNc1nc(Sc2nccs2)nc(N2CCCCC2)n1 161228436 FPHIXLGLPCQKFR-UHFFFAOYSA-N 309.424 1.755 10 10 DDCE CN(Cc1ccccc1O)[C@@H](CNC(=O)OC(C)(C)C)C(=O)O 1992729482 NVCUBNURNMHYFY-LBPRGKRZSA-N 324.377 1.802 10 10 DDCE Nc1cccc(Br)c1N[C@H]1CCNC[C@@H]1CO 2016909049 ZWMITLLTQADKSI-KCJUWKMLSA-N 300.200 1.414 10 10 DDCE COC(=O)c1cccc(N)c1N[C@@H](C)CCS(C)(=O)=O 2160762184 XMZNJYZTGYAQHC-VIFPVBQESA-N 300.380 1.291 10 10 DDCE CCN(c1ccc(N)cc1)S(=O)(=O)c1csnc1OC 714354744 OFVXMUCVBXDAPQ-UHFFFAOYSA-N 313.404 1.949 10 10 DDCE COc1cccc(CNC(=O)C=C(C)CN2CCOCC2)c1O 2059331050 AOHKZYDIRJZYHU-UHFFFAOYSA-N 320.389 1.296 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3C[C@@H](C)N(C4CC4)C3)c2n1 2061989371 MKKNFYYERNLNBE-GHMZBOCLSA-N 315.377 1.098 10 10 DDCE Nc1ccc(CS(=O)(=O)N2C[C@H](C(F)F)CC2=O)cc1 2191640776 IBAXWYAOKSGUAN-SECBINFHSA-N 304.318 1.212 10 10 DDCE CCON(CCN)Cc1c(Br)ccc(OC)c1O 2220455799 GGMVCQZRTVILSI-UHFFFAOYSA-N 319.199 1.876 10 10 DDCE CN(C[C@@H](O)C(F)(F)F)C(=O)C=Cc1ccc(O)c(O)c1 2308009389 ZTOBDIVIOTUQQM-LLVKDONJSA-N 305.252 1.493 10 10 DDCE CCNC(=O)[C@@H](C)NCc1cc(Br)ccc1O 227434976 TWAHJZZZRLZUJX-MRVPVSSYSA-N 301.184 1.769 10 10 DDCE NCc1ccc(N2CCC[C@H](C(N)=O)C2)c(Br)c1 212900178 XRBIMGQUPRFEAB-JTQLQIEISA-N 312.211 1.610 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCCC[C@@]2(C)C(N)=O)c1O 185936311 GZKTUFIMSQTLAR-INIZCTEOSA-N 308.353 1.964 10 10 DDCE CCN(CCN=[N+]=[N-])S(=O)(=O)c1ccc([N+](=O)[O-])nc1 2362981061 HFIPWPVDONKPRD-UHFFFAOYSA-N 300.300 1.311 10 10 DDCE C[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)N1CCCCC1 40347202 JMQSROOBQWMFTG-CYBMUJFWSA-N 311.451 1.563 10 10 DDCE O=C1NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 224978562 HALPOMGHOVRFIX-YRNVUSSQSA-N 317.232 1.788 10 10 DDCE CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 248771964 SXRHMFRBZQGFGX-BJFPOWJFSA-N 311.403 1.907 10 10 DDCE COC(=O)/C=C/c1ccc(N2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 368800222 MHDHXUDPFOHDLD-LYKUJDHUSA-N 318.329 1.742 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccnc(OCC(F)(F)F)c1 808520217 ODZIXZCSDJGRPU-UHFFFAOYSA-N 305.208 1.338 10 10 DDCE COc1ccc(N2CC[C@H](CNS(=O)(=O)CC3CC3)C2)cc1 819888407 VKQHBRQQNJHKBK-CQSZACIVSA-N 324.446 1.851 10 10 DDCE CCOc1ccc(CN2CC[C@@H](Cn3ccnn3)C2)c(O)c1 826844864 ASRNJFKZHIACEX-CYBMUJFWSA-N 302.378 1.905 10 10 DDCE C/C=C/[C@H](O)C(=O)NCc1cc(Br)ccc1O 908170326 NLJIGLKIJYSDPM-VUDBWIFFSA-N 300.152 1.708 10 10 DDCE CN(CCOCCO)C(=O)c1cc2cc(O)c(O)cc2s1 908026316 WAUSUVDDSOPLCF-UHFFFAOYSA-N 311.359 1.393 10 10 DDCE O=C1N=C(N2CCOCC2)S/C1=C/c1cnn(CCF)c1 901443570 OVQDLOLJMBGLDP-YRNVUSSQSA-N 310.354 1.155 10 10 DDCE COc1ccc(N(C)C[C@H](CN)Cc2cnn(C)c2C)cc1 903931370 CBAZKAMQAAIHTH-AWEZNQCLSA-N 302.422 1.991 10 10 DDCE COC1CCN(c2ccc(CN3CN(C)C(=O)[C@H]3C)cc2)CC1 830798629 QVIZHOPHSKRSFG-CQSZACIVSA-N 317.433 1.922 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@H]2CC23CCNCC3)cc1F 831171714 GQNAXCPKAFZLNU-HNNXBMFYSA-N 320.412 1.833 10 10 DDCE COc1ccc(O)c([C@H](C)NS(=O)(=O)CC2(F)CC2)c1 914153777 KKNWBROMPAFMKJ-VIFPVBQESA-N 303.355 1.883 10 10 DDCE C[C@H](NC(=O)NC/C=C/CN)c1ccc(N2CCOCC2)cc1 841739483 ALZIHBZUJKPEKE-HSWBROFVSA-N 318.421 1.398 10 10 DDCE Cc1cc(O)c(CN2CCN(CCN(C)C)C(=O)C2)cc1C 844715008 SGXICWQYZZKVDN-UHFFFAOYSA-N 305.422 1.215 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCN3C)C2)cc1 923182874 IKZJQSHNKBXNTK-ZFWWWQNUSA-N 318.421 1.277 10 10 DDCE CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCc1c(O)cccc1F 921727721 QSRIQHZVGJIHDM-SKDRFNHKSA-N 309.341 1.245 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCN3C=O)C2)cc1 855226852 URXYXVCPMDRNEK-XJKSGUPXSA-N 317.389 1.011 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)C(C)C)C2)cc1 852452731 COODHBQMJPFOPD-XJKSGUPXSA-N 321.421 1.590 10 10 DDCE Cn1nnc2c1C[C@H](C(=O)NCc1c(O)cccc1F)CC2 928705496 IYFJPFKSDPCUNL-SECBINFHSA-N 304.325 1.081 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cc3nonc3C)C2)cc1 855226325 RDIGBYPDLVZIRJ-LBPRGKRZSA-N 316.361 1.324 10 10 DDCE O=C(O)c1cc(CNCc2ccc(N3CCOCC3)cc2)on1 1334069105 GAAVXUCQDPVLKZ-UHFFFAOYSA-N 317.345 1.499 10 10 DDCE CN1C[C@@H](c2cc(N)ccc2O)N(C(=O)OC(C)(C)C)CC1=O 1952913467 YUSUEQIQPRUDEL-LBPRGKRZSA-N 321.377 1.725 10 10 DDCE CN(C)c1ccc(CNS(=O)(=O)CCOC(C)(C)C)cc1 866424245 HCRBISJJEKNOOT-UHFFFAOYSA-N 314.451 1.987 10 10 DDCE COc1ccc(O)c(CNC(=O)c2ccc([N+](=O)[O-])cn2)c1 762540785 TVSSCQQRIZZRCF-UHFFFAOYSA-N 303.274 1.634 10 10 DDCE CCOc1ccc(CN2CCN([C@@H](CC)CO)CC2)c(O)c1 769501934 GBLRWCXMWSEYNH-HNNXBMFYSA-N 308.422 1.679 10 10 DDCE CN(Cc1cc2c(cc1O)OC[C@H]2O)[C@@H]1CCN(C2CC2)C1 768448611 SUEKDQPUJVTDKN-CZUORRHYSA-N 304.390 1.487 10 10 DDCE O=C(c1cc(O)cs1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 869805042 MURIVBIDOOFKDE-CHWSQXEVSA-N 305.355 1.718 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CCO[C@H](C(F)F)CC2)cc1 868293401 NCRWDOLQHRJZEC-NSHDSACASA-N 313.304 1.090 10 10 DDCE CCOc1ccc(CNC[C@@]23COCCN2C(=O)OC3)c(O)c1 865770677 UNRVZTLTGDJCNU-INIZCTEOSA-N 322.361 1.102 10 10 DDCE O=C(C(=O)N1CCCC(F)(F)C1)N1Cc2cccc(O)c2C1 1119019618 BVVVYPWHUFRWND-UHFFFAOYSA-N 310.300 1.492 10 10 DDCE CCS(=O)(=O)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1136597741 HDWHZHVMNFDNTA-UHFFFAOYSA-N 312.351 1.014 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc2nc(O)[nH]c2n1 1303225529 KNCSJDSRDWKJPD-UHFFFAOYSA-N 300.274 1.005 10 10 DDCE NC(=O)[C@H]1CC[C@H](CNC(=O)NCc2c(O)cccc2F)CC1 1230250458 VUHHDHBYMHTKPF-XYPYZODXSA-N 323.368 1.622 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)N1CCC[C@@H](O)C1 1914140246 BBFRAUGPMJNASI-SECBINFHSA-N 306.771 1.159 10 10 DDCE COC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1cccnc1 1468217044 SZODUIXSCAXBOD-GFCCVEGCSA-N 302.286 1.137 10 10 DDCE COc1ccc(CNC(=O)Cc2ccc(O)c(OC)c2)c(O)c1 1617752460 CPOPDLJZHJAUNK-UHFFFAOYSA-N 317.341 1.974 10 10 DDCE CC(C)(C)CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(N)=O 1556391552 NRZVDATXSKQSFN-NSHDSACASA-N 308.378 1.437 10 10 DDCE Nc1c(C(=O)NCc2c(O)cccc2O)cnn1-c1ccccc1 1639292699 NBXDTTVEVVAOBQ-UHFFFAOYSA-N 324.340 1.796 10 10 DDCE Cc1ncc2c(n1)CCC[C@H]2NC(=O)Cc1ccc(O)c(O)c1 1565702718 LTBKYLZQJBDFNL-CQSZACIVSA-N 313.357 1.933 10 10 DDCE CN(C)C(=O)N1CCN(C(=O)c2cccc(O)c2O)C(C)(C)C1 1631685802 OVHZBUAGLGRCPX-UHFFFAOYSA-N 321.377 1.316 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@@H]1c1ncon1 1634011836 VXFKEELTGCJQCU-LLVKDONJSA-N 303.318 1.777 10 10 DDCE C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1CO 1646321175 BWCYGXHVEIZUOI-PWSUYJOCSA-N 304.350 1.940 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccnn1CC(F)(F)F 1647268785 CFWHJOFKGSQVAX-UHFFFAOYSA-N 315.251 1.787 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC(NC2CCOCC2)C1 1649382139 YTMQMSVLXIBPAI-RQOWECAXSA-N 318.373 1.090 10 10 DDCE Cc1oc(C(=O)N[C@H](C)c2ccccc2O)cc1S(N)(=O)=O 1587447343 QKYIEPHVMDQXQR-MRVPVSSYSA-N 324.358 1.432 10 10 DDCE O=C(NCc1ccccc1O)[C@H]1COc2ccc(O)cc2O1 1595793694 ZRRHBHUMZXKOCX-OAHLLOKOSA-N 301.298 1.554 10 10 DDCE COC(=O)[C@@H]1C[C@H]2CCC[C@H]2N1C(=O)c1cc(O)c(O)c(O)c1 1866302798 DQZUHPWGNSTGQD-IEBDPFPHSA-N 321.329 1.360 10 10 DDCE CON1CC[C@H](NCc2ccc(Br)cc2O)C1 2005019236 DIJLUMKIHSEOGL-NSHDSACASA-N 301.184 1.880 10 10 DDCE CNCc1ccc(N2CC(F)(CO)C2)c(Br)c1 2005098961 BRAPXGHODQTVQU-UHFFFAOYSA-N 303.175 1.689 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2CCCS2)cc1 149478351 AIPDGXIXECWTAP-CYBMUJFWSA-N 316.448 1.463 10 10 DDCE COc1cccc(CN(C)[C@@H](C)CCS(C)(=O)=O)c1O 2160751841 WWYVAKILYGDEFG-NSHDSACASA-N 301.408 1.656 10 10 DDCE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)CCOc1ccc(N)cc1 2170630516 KGGIVWWHOXTHIA-RYUDHWBXSA-N 300.424 1.401 10 10 DDCE CN1CCOC[C@@H]1CNCc1c(O)cccc1Br 706842102 LJACGXUZXXJUKQ-JTQLQIEISA-N 315.211 1.575 10 10 DDCE C[C@@H](O)c1ccc(N(C)[C@H]2COC[C@H]2O)cc1Br 708719961 KGLMHMKYLYJNFW-OXHMUOHRSA-N 316.195 1.698 10 10 DDCE CN(c1ccc(CO)cc1Br)[C@H]1COC[C@H]1O 708712551 FGEOWJPBRGTWSX-NWDGAFQWSA-N 302.168 1.137 10 10 DDCE O=S1(=O)C[C@H]2[C@H](CNCc3ccc(F)c(F)c3O)[C@H]2C1 2174624012 LKCUOSRLQHYEJL-OWUUHHOZSA-N 303.330 1.051 10 10 DDCE C[C@H](CS(=O)(=O)N(C)[C@@H](C)c1ccccc1O)C(=O)O 2183442684 JWDREVXFSIVOEN-ZJUUUORDSA-N 301.364 1.436 10 10 DDCE CN(NCc1ccc(Cl)cc1O)S(=O)(=O)C1CCC1 2339765878 CXWJETKRRIUBDV-UHFFFAOYSA-N 304.799 1.864 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1ccc(N)c(F)c1 130924459 FIXCPQBIWIXLDK-UHFFFAOYSA-N 310.350 1.934 10 10 DDCE CCOC(=O)CNCc1ccc(N2CCN(CC)CC2)c(F)c1 194399439 LPXDMRKULMIPLO-UHFFFAOYSA-N 323.412 1.620 10 10 DDCE O=C(NCCN1C(=O)CSC1=S)c1ccc(Cl)cc1 49755872 SENFMGGIASUEQZ-UHFFFAOYSA-N 314.819 1.930 10 10 DDCE COc1cc(Cl)c(N2CCO[C@@H](CCO)C2)c(OC)c1 2368271402 SQHAUSUPFFNYPP-JTQLQIEISA-N 301.770 1.945 10 10 DDCE COc1ccc(N2CCCN(C(=O)[C@@H]3CCC[C@H]3N)CC2)cc1 246748458 ZQXCVPYLWNPPOM-IAGOWNOFSA-N 317.433 1.861 10 10 DDCE O=C(C1CCC1)N1CCN(c2ccc3c(c2)OCCO3)CC1 244449760 ZBAKERKHMKGFSE-UHFFFAOYSA-N 302.374 1.907 10 10 DDCE Nc1ccc(CS(=O)(=O)NCc2ccc(Cl)cn2)cc1 2146236895 VTSAMLJBYGYWCA-UHFFFAOYSA-N 311.794 1.937 10 10 DDCE C[C@H]1C[C@@H](O)CN(CC(=O)NCc2ccc(N(C)C)cc2)C1 832713984 VKDPYEDXGRKWIM-XJKSGUPXSA-N 305.422 1.072 10 10 DDCE OC[C@@]1(O)CCCN(Cc2cc(Br)ccc2O)C1 839159723 OZWTWOXKKUKXFB-CYBMUJFWSA-N 316.195 1.474 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@@H](C(N)=O)C2)c1 845447137 ZFEZHNVBHJHEKU-LPEHRKFASA-N 307.350 1.025 10 10 DDCE COC(=O)CC1(NCc2ccc(N3CCOCC3)cc2)CC1 846029660 UAGXBFWFFZQEKU-UHFFFAOYSA-N 304.390 1.709 10 10 DDCE COc1ccc(N2CC[C@@H](N3C(=O)N[C@@H](C4CC4)C3=O)C2)cc1 849357518 MYCYAXOVVRSACT-HIFRSBDPSA-N 315.373 1.604 10 10 DDCE Cc1cc(N(C)C)ccc1CN1CC[C@@H](NS(C)(=O)=O)C1 840918248 QMNHPBHIYIYHTC-CQSZACIVSA-N 311.451 1.185 10 10 DDCE NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cn[nH]c3)cc2)C1 749919508 FPQBWGAUGWLMLE-OAHLLOKOSA-N 313.405 1.401 10 10 DDCE COc1ccc(N2CCN(C[C@@]3(C)CCNC3)CC2)cc1F 843119379 KXAQBZBVNDFTQP-KRWDZBQOSA-N 307.413 1.956 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@H]3CCNC(=O)[C@@H]32)c(O)c1O 922449193 VDPRPFMOJQSGJZ-CMPLNLGQSA-N 304.346 1.147 10 10 DDCE CCN(CC)c1ccc(CNC(=O)C2=NO[C@@H](CN)C2)cc1 852860135 KXSINWDCDYENIE-CQSZACIVSA-N 304.394 1.253 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)[C@@H](O)C1CCOCC1 862028052 OAOZTLCSPNEUEP-INIZCTEOSA-N 316.357 1.344 10 10 DDCE Nc1ccc(CCNC(=O)N[C@H]2CCN(C3CCC3)C2=O)cc1 861640046 IKSGSRNBMXWHJD-HNNXBMFYSA-N 316.405 1.264 10 10 DDCE CCOC[C@@H](C(=O)OC)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 779527704 DKVIJCKPJFXJJI-VFFGBVLKSA-N 323.345 1.148 10 10 DDCE O=C1NCC[C@@H]1NCc1cc(Cl)cc(Br)c1O 708145038 HFRQBVVLBJGJCB-VIFPVBQESA-N 319.586 1.786 10 10 DDCE C[C@@](O)(CO)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 794747723 FEVNUFQCUIJZIS-INIZCTEOSA-N 323.393 1.418 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCCOCC1CCOCC1 1147594021 RMUJIZWUUOPFFG-UHFFFAOYSA-N 323.389 1.590 10 10 DDCE Cc1cc(Br)cc(CN(C)[C@@H](C)C(N)=O)c1O 711139607 ISRLMEQPCPDFLO-QMMMGPOBSA-N 301.184 1.769 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCNC(=O)CC1 1324539884 CKBCEBUJZICHNB-ZYHUDNBSSA-N 306.362 1.061 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1CC[C@H]2C[C@H]12 1336191450 SDUVDHLKALQDAP-KCQAQPDRSA-N 316.401 1.903 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)c1cn(C)c(Br)n1 1912152538 VMLNKUAVNCRKBJ-UHFFFAOYSA-N 301.148 1.955 10 10 DDCE Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccc(C2=S=CC=C2)o1 1518081636 RJPLHXPVZSAVDB-UHFFFAOYSA-N 318.314 1.799 10 10 DDCE CCC(CC)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O 1442539690 UHVJWNWBTMIGRC-UHFFFAOYSA-N 305.338 1.623 10 10 DDCE CCN1CC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1603555346 PIZOLRJZKJCSNK-IRXDYDNUSA-N 318.465 1.566 10 10 DDCE COC1(C(=O)O)CN(Cc2ccc(Br)cc2O)C1 1917684810 KUOWEQAZPDAHKO-UHFFFAOYSA-N 316.151 1.440 10 10 DDCE COc1cc(CNCCNC(C)=O)ccc1N1CCCCC1 212695645 VYJKGVNPYJUZGP-UHFFFAOYSA-N 305.422 1.911 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2CCSC2)cc1 228546460 YALGFTVDEWWYPG-LLVKDONJSA-N 316.448 1.320 10 10 DDCE O=C(NCc1cccc(O)c1O)[C@@H]1COc2ccc(O)cc2O1 1644711290 WGJKAWGTTOQVDU-AWEZNQCLSA-N 317.297 1.260 10 10 DDCE COCC(=O)N1CC[C@@](C)(CNCc2ccc(OC)c(C)c2)C1 1733415577 FLMGNZXUUPZAKT-SFHVURJKSA-N 320.433 1.978 10 10 DDCE CN(C)c1ccc(CN2CCC(Cc3nn[nH]n3)CC2)cc1 1655485864 MBTMZICNRFSRKX-UHFFFAOYSA-N 300.410 1.720 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CSC(=O)N1 155403743 SPYKHWGKQPNZLP-ZDUSSCGKSA-N 307.419 1.926 10 10 DDCE CCCNCc1ccc(N2CCOC[C@@H]2C(N)=O)c(Cl)c1 159018687 UROPUWSWTULUGD-CQSZACIVSA-N 311.813 1.530 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)c1c[nH][nH]c1=NC(=O)OC(C)(C)C 1985098974 DXNGILVOGSXENJ-UHFFFAOYSA-N 323.357 1.951 10 10 DDCE C[C@@H](N)c1ccc(N(C)CC(CO)CO)cc1Br 2033019855 UBNIPQHHCSFUBB-SECBINFHSA-N 317.227 1.506 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403691783 ZRUJXGRNBGHMGQ-SSDOTTSWSA-N 304.763 1.537 10 10 DDCE O=S(=O)(CCNCc1ccc2c(c1)CCO2)C(F)(F)F 2160561878 XFMXOXFMBGIIMW-UHFFFAOYSA-N 309.309 1.646 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCOC[C@@H]1N1CCCC1 2065051087 ZVRNIILYMNOHAT-KGLIPLIRSA-N 320.389 1.010 10 10 DDCE CCCN(CCS(C)(=O)=O)Cc1c(O)cccc1OC 2170129407 GBFBCNPBCFDDME-UHFFFAOYSA-N 301.408 1.657 10 10 DDCE C[C@@H](N)c1cc(F)c(N2C[C@H]3C[C@H]2CS3(=O)=O)c(F)c1 2194697753 QLYIORSMQUBMIT-FKTZTGRPSA-N 302.346 1.360 10 10 DDCE C[C@H](O)[C@@H]1CN(c2ccc(CO)c(Br)c2)CCO1 2053843997 NSOVWMYTSVNBFB-ZANVPECISA-N 316.195 1.527 10 10 DDCE CC1(C)C[C@H](S(=O)(=O)Nc2ccc(O)c(F)c2)CCN1 2199689578 LQJBFNHQZWMABL-SNVBAGLBSA-N 302.371 1.804 10 10 DDCE O=S1(=O)C[C@@H]2CCN(Cc3cc(Cl)ccc3O)[C@H]2C1 2094883858 ZZWQPYDUDBWLEF-CABZTGNLSA-N 301.795 1.665 10 10 DDCE CN(C(=O)OC(C)(C)C)[C@@H](COc1nnc(=N)[nH]n1)CC1CC1 2210719368 ZXCQSJCHBOQRRN-SNVBAGLBSA-N 324.385 1.094 10 10 DDCE Cn1nc(Br)c(CNCc2ccc(O)cc2O)n1 2219795041 XRLMXANKQZDSCK-UHFFFAOYSA-N 313.155 1.279 10 10 DDCE CS(=O)(=O)CCC1CC(NCc2cc(F)ccc2O)C1 2233928247 VYWDRZMOOLHHMD-UHFFFAOYSA-N 301.383 1.834 10 10 DDCE C[C@@H](NCCCS(=O)(=O)C(F)F)c1c(O)cccc1O 2237644611 RMFPAKJKGGWUJY-MRVPVSSYSA-N 309.334 1.776 10 10 DDCE Oc1ccc(Br)cc1CN[C@@H]1CCn2cnnc2C1 2228334154 HFQRMNVKYYLXFO-LLVKDONJSA-N 323.194 1.851 10 10 DDCE CN(C)S(=O)(=O)[C@@H]1CCN(Cc2ccc(Cl)cc2O)C1 2279282436 ZFRRWVMMXDEUOA-GFCCVEGCSA-N 318.826 1.511 10 10 DDCE O=C1NC2(CO1)CN(c1ccc(CO)c(Br)c1)C2 2326865433 HCCUMADMPWJLEI-UHFFFAOYSA-N 313.151 1.240 10 10 DDCE Cc1ccc(CN[C@H]2CCCNC2=O)c(O)c1Br 2327620261 BGNXHVMBVVIFIJ-JTQLQIEISA-N 313.195 1.831 10 10 DDCE COC[C@H](O)CCNC(=O)c1c(C)oc(-n2cccc2)c1C#N 305741838 SHLJSLXOCHJEFD-GFCCVEGCSA-N 317.345 1.378 10 10 DDCE CO[C@@H]1C[C@@H](CO)N(c2ccc(CN)c(Br)c2)C1 311133296 RKXKZJDEOKCFRH-NWDGAFQWSA-N 315.211 1.494 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCN(c3cnccn3)CC2)c1 170908834 PTKOZZBUHHHCIB-UHFFFAOYSA-N 315.333 1.413 10 10 DDCE CCOc1cccc(CN2C[C@@H](N3CCOCC3)[C@H](C)C2)c1O 180229087 NTMUDQQGJTZBOO-GDBMZVCRSA-N 320.433 1.943 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2COC3(CN)CC2C3)s1 2368669775 BSMQTUWMJSIHEA-SLYADPJGSA-N 313.448 1.235 10 10 DDCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[S@@](=O)C1 365442688 LAAIFWSTZYDFDB-IVZQSRNASA-N 322.474 1.724 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C 376242862 YVOORICBXHEQOE-QIIPPGSGSA-N 318.417 1.883 10 10 DDCE CN(Cc1cc(Cl)c(F)cc1O)[C@H]1CCS(=O)(=O)C1 294771169 AXDJFZNCIQSNQR-VIFPVBQESA-N 307.774 1.804 10 10 DDCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)NCc5ccc(O)c(O)c5)[C@H]1[C@H]3[C@@H]42 800518369 ADQNXCIPWPQEMN-MNCOEYGFSA-N 311.337 1.041 10 10 DDCE COc1ccccc1-n1ncc(C(=O)OCC(=O)C(C)=O)c1C 808548940 TXQANRGWLZXNHW-UHFFFAOYSA-N 316.313 1.504 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc2sc(N(C)C)nc2s1 808508273 YNVUXIGRKUBBBC-UHFFFAOYSA-N 312.372 1.739 10 10 DDCE CNC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 817165102 JQZLKKLPEDMHHC-GXTWGEPZSA-N 318.421 1.591 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@@](O)(C(F)F)C2)c1O 824726000 DISXWSHDXVQEBW-ZDUSSCGKSA-N 318.276 1.511 10 10 DDCE CCN1CCN(CC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 742247358 AIMTZYDCFPDHNP-UHFFFAOYSA-N 322.428 1.145 10 10 DDCE CC1(C)OC[C@H]2C[C@]21C(=O)OCC(=O)c1ccc(O)c(O)c1 849931335 UZRTWNDHUMRQMR-QLJPJBMISA-N 306.314 1.639 10 10 DDCE CCS(=O)(=O)C[C@H](C)NC(=O)NCc1c(O)cccc1F 918619596 AYHAWDVOLUPTBR-VIFPVBQESA-N 318.370 1.154 10 10 DDCE C[C@H](CCC(=O)C(=O)C[C@H]1C[C@H](N)C1)NC(=O)OC(C)(C)C 1893863868 HHEBZCPBIVPTTP-IJLUTSLNSA-N 312.410 1.945 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCN3C)C2)cc1 855230004 DMORIPPMUTXIFO-CZUORRHYSA-N 303.406 1.484 10 10 DDCE C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)c1cccc(O)c1O 855971854 OKENPZFKOVIAHM-RDDDGLTNSA-N 305.252 1.890 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1c[nH]nc1[C@@H]1CCNC1 852789982 MUZBAUKEKCXZHN-LLVKDONJSA-N 300.362 1.464 10 10 DDCE CCC[C@H](O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854300969 FJXLARQNLPNZPG-HIFRSBDPSA-N 321.421 1.734 10 10 DDCE COCCc1cc(NC(=O)NCc2ccccc2O)n(C)n1 768996806 ZIOJIOZMDZGOSU-UHFFFAOYSA-N 304.350 1.636 10 10 DDCE COC(=O)c1cncc(NC(=O)NCc2ccccc2O)c1 776480431 OJQFQPNZWOAVRK-UHFFFAOYSA-N 301.302 1.896 10 10 DDCE COc1cc(C)cc(CN[C@@H](C)C2(S(C)(=O)=O)CC2)c1O 894748969 VVTAFASXLXYMSH-NSHDSACASA-N 313.419 1.765 10 10 DDCE CN(C[C@@H]1COCCO1)C(=O)c1cc2cc(O)c(O)cc2s1 898721831 RTBGFEGFBSLMOM-SNVBAGLBSA-N 323.370 1.800 10 10 DDCE COC[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1335563185 JREZXUHFZZEXKK-GFCCVEGCSA-N 318.373 1.119 10 10 DDCE CC(C)NC[C@H](O)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1278839570 RKZANTAHDZTRML-ZDUSSCGKSA-N 321.381 1.280 10 10 DDCE O=C(NC[C@]12CCCC[C@@H]1C2)C(=O)N1Cc2cccc(O)c2C1 1354871355 RXZDMLRWLBWQJI-FZKQIMNGSA-N 314.385 1.931 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@](O)(CNCc2ccc(N)cc2)C1 1918911580 CZVVYPKLYSWWOB-QGZVFWFLSA-N 321.421 1.730 10 10 DDCE CC(=O)C(=O)[C@]1(O)CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1919248967 JBIGDIVRTURZKB-HSMVNMDESA-N 311.378 1.543 10 10 DDCE CCCC(=O)N1CCCC[C@H]1C(=O)NCc1cc(O)ccc1O 1558174162 GNXBCAHQCPZXPO-AWEZNQCLSA-N 320.389 1.895 10 10 DDCE C[C@@H]1c2nncn2CCN1C(=O)c1ccc(N=NC(N)=O)cc1 1556199523 NYGGCZAJRZZQIE-SECBINFHSA-N 313.321 1.658 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2nonc2C)cc1C 1498207620 MHWZOLUYICYIRN-NSHDSACASA-N 318.377 1.603 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)[C@@H](C)NC(C)=O)cc1C 1731576461 JLTONXPKXFOTLZ-QWHCGFSZSA-N 321.421 1.123 10 10 DDCE CC(C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C1(CO)CCC1 1641491828 GOOVQYPSJKNXSV-MRXNPFEDSA-N 307.390 1.944 10 10 DDCE CCOC(=O)c1cc(C(=O)NCc2cccc(O)c2O)on1 1644710578 DRPSVCUDVHIREF-UHFFFAOYSA-N 306.274 1.193 10 10 DDCE COC(=O)N1CCC(C(=O)NCc2cc(O)ccc2O)CC1 1651225281 CXUJNGCECHYGFD-UHFFFAOYSA-N 308.334 1.192 10 10 DDCE Cc1cc(C(=O)Cn2cc(C(N)=O)nn2)c(C)n1-c1ccccc1 1652744137 MBILGAMTGQRSBA-UHFFFAOYSA-N 323.356 1.667 10 10 DDCE CC(=O)N[C@@H](C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 1774084013 IZHKPHVTWRNKPC-JTQLQIEISA-N 319.365 1.884 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NC2CC(CC(N)=O)C2)c1 1684016757 GYCHDLQRNMJISM-WHXUTIOJSA-N 321.377 1.415 10 10 DDCE COc1ccc(CNC/C=C\CNC(=O)[C@H](C)OC)cc1C 1699236521 KZWJUMPNTOYTIE-GXMNPTEKSA-N 306.406 1.801 10 10 DDCE N[C@H]1COCCN(Cc2cc(Br)ccc2O)C1 1946804903 SVEUTWFEQUPKRB-LLVKDONJSA-N 301.184 1.314 10 10 DDCE CC(C)(C)OC(=O)N1CC(F)(C(=O)NCCCN=[N+]=[N-])C1 1885561282 PLKNNQXLHLXWAI-UHFFFAOYSA-N 301.322 1.762 10 10 DDCE COCCN(CC(=O)NCCN=[N+]=[N-])C(=O)OC(C)(C)C 1971513868 MRFYQIHJZNVZDC-UHFFFAOYSA-N 301.347 1.296 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC/C=C/Br)cc1 2004057175 YDCUQGRAKVSLSV-LREOWRDNSA-N 319.224 1.987 10 10 DDCE CNCc1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c(Cl)c1 2148768608 GGIALKLYUNWTPP-GFCCVEGCSA-N 316.854 1.930 10 10 DDCE CCNCc1ccc(N2CC(CS(C)(=O)=O)C2)cc1Cl 2159448156 OHCYXLPNZJFCQI-UHFFFAOYSA-N 316.854 1.930 10 10 DDCE CC(C)(C)S(=O)(=O)C[C@@](C)(NCCCN=[N+]=[N-])C(=O)O 2170540838 WFIISJGEHPTLCG-LLVKDONJSA-N 306.388 1.333 10 10 DDCE C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CS1 709732828 MDEMRYJNTHLHTD-ZWNOBZJWSA-N 300.449 1.972 10 10 DDCE C[C@H]1C[C@H](NS(=O)(=O)CCOc2ccc(N)cc2)CS1 397972843 NMHGIDVUBAJVFC-JQWIXIFHSA-N 316.448 1.461 10 10 DDCE CO[C@H]1C[C@@H](O)CN(c2ccc(CO)cc2Br)C1 2046677270 XYONTLDPYUUPMF-MNOVXSKESA-N 316.195 1.527 10 10 DDCE O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1nc[nH]n1 2058724401 BFABCVULMCSNDL-UHFFFAOYSA-N 309.134 1.618 10 10 DDCE C[C@]1(CNCc2cc(Br)ccc2O)CCNC1=O 2080467769 GHYBNQHRCXOKTK-CYBMUJFWSA-N 313.195 1.771 10 10 DDCE CNCc1ccc(N2CCn3ncnc3C2)c(Br)c1 2114028929 LGEMDBZPJSMOAR-UHFFFAOYSA-N 322.210 1.780 10 10 DDCE CSc1ncc(Cn2cnnc2SCC(=O)O)s1 2256957355 CJEIAHPZOHWFCP-UHFFFAOYSA-N 302.406 1.682 10 10 DDCE C[C@@H](NS(=O)(=O)c1nccnc1Cl)c1ccccc1O 2286421465 LXLMAJGOUXGFMU-MRVPVSSYSA-N 313.766 1.875 10 10 DDCE CCN(C[C@H](O)C(F)(F)F)C(=O)C=Cc1ccc(O)c(O)c1 2310355438 TVLQTBFNZUGXAA-LBPRGKRZSA-N 319.279 1.883 10 10 DDCE Nc1ccc(N2C(=O)[C@H]3COC[C@@H]3C2=O)cc1Br 2316475231 OFYJAAGWAGHTNN-YUMQZZPRSA-N 311.135 1.167 10 10 DDCE O=C(N[C@@H]1CCOC1)c1cccc2c1C(=O)c1ccccc1C2=O 178955491 WXURWNYXZFTZGG-LLVKDONJSA-N 321.332 1.981 10 10 DDCE CC(=O)N(C(=O)C(=O)N1CCCCCC1)c1ccc(N)cc1 170318508 HFUNMSFZRNYKRS-UHFFFAOYSA-N 303.362 1.551 10 10 DDCE CN(CC1CC(O)C1)C(=O)NCc1ccc(N(C)C)c(F)c1 190414402 BLDWIEQTWNZFDF-UHFFFAOYSA-N 309.385 1.804 10 10 DDCE COc1cccc(CNC(=O)C2(N3CCOCC3)CCC2)c1O 364685500 IGBFGKMDUVENDF-UHFFFAOYSA-N 320.389 1.272 10 10 DDCE Oc1cc2c(cc1CNCC1(O)Cc3ccccc3C1)OCO2 377777762 WEGKNKSMJDBAEK-UHFFFAOYSA-N 313.353 1.740 10 10 DDCE CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](O)C(F)F 294953390 DEFWPWNFAHYBQZ-KCJUWKMLSA-N 320.292 1.803 10 10 DDCE CC(=O)C(=O)COC(=O)C1(c2ccc(F)cc2)CCOCC1 808509095 JVBFUXKTRNGXBP-UHFFFAOYSA-N 308.305 1.575 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCC[C@@H]2CS(N)(=O)=O)cc1 835029531 RMZWIUICEYJMCV-LLCTXKFZSA-N 323.462 1.519 10 10 DDCE CN(Cc1ccc(Br)cc1O)C[C@@H]1CNCCO1 701038949 QXTKBZHJCLBTET-LBPRGKRZSA-N 315.211 1.575 10 10 DDCE Nc1ccc(CCNC(=O)NCC2(CF)CCOCC2)cc1 841909486 CBOLRUYESNWYRD-UHFFFAOYSA-N 309.385 1.877 10 10 DDCE C[C@@H]1CCNC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 841832830 UXAYICJOUFYDMZ-PBHICJAKSA-N 314.433 1.860 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)O[C@H]3CNOC3)C2)cc1 922950136 CTPCMCIFBYEHOY-DOMZBBRYSA-N 321.377 1.151 10 10 DDCE CCOc1ccc(O)c(CN2C[C@H](C)N(CCO)C[C@@H]2C)c1 841891855 QQDZWIVMKSGMJS-KBPBESRZSA-N 308.422 1.678 10 10 DDCE CCN(CC)c1ccc(CNS(=O)(=O)C2CNC2)cc1F 923609240 XEYNKBSENBVSMJ-UHFFFAOYSA-N 315.414 1.063 10 10 DDCE C[C@@H]1CN(C(=O)C=C2CCNCC2)c2ccccc2N(C)C1=O 852847732 WLUZRLJVPFGRIP-CYBMUJFWSA-N 313.401 1.942 10 10 DDCE C[C@@H](NC(=O)NC[C@H]1CN(C2CC2)C(=O)O1)c1ccccc1O 868755481 HPTFLOXOXHWZTG-PWSUYJOCSA-N 319.361 1.736 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)C1CS(=O)(=O)C1 868109893 MLCJUWNRPIWFJC-UHFFFAOYSA-N 311.403 1.566 10 10 DDCE CC[C@H](NC[C@]12COCCN1C(=O)OC2)c1ccc(F)cc1O 866520300 FOANGZNAVVMAIU-XJKSGUPXSA-N 324.352 1.793 10 10 DDCE C[C@H](NC[C@]12COCCN1C(=O)OC2)c1ccc(F)cc1O 866521179 LEQDLCGGWXRXLW-ZUZCIYMTSA-N 310.325 1.403 10 10 DDCE CC[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C1 1118044537 KCZWRJOJYSFZLH-UONOGXRCSA-N 317.433 1.965 10 10 DDCE CO[C@@H]1COC[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 897965461 ZGMMUKRIUCAFTJ-GZMMTYOYSA-N 309.343 1.456 10 10 DDCE COc1cc(NS(=O)(=O)c2cc(C)cnc2N)ccc1O 797820274 OTCGQOCVAXOTJS-UHFFFAOYSA-N 309.347 1.487 10 10 DDCE NC(=O)c1ccc(/C=C/C(=O)NCc2c(O)cccc2F)o1 1156170120 HFLWRRHXSFNZPQ-FNORWQNLSA-N 304.277 1.553 10 10 DDCE CCN1CCN([C@@H](C(=O)Nc2ccc(N)cc2)C(C)C)CC1 62461134 ZPWAQKPCISWVQF-MRXNPFEDSA-N 304.438 1.869 10 10 DDCE NC[C@@H]1CN(Cc2c(O)cccc2Br)CCO1 706867050 MOUJOURZZVFFCF-SECBINFHSA-N 301.184 1.314 10 10 DDCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1sncc1Br 711821777 BJXJXGLVNJFZBW-ZCFIWIBFSA-N 319.188 1.722 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2CC[C@@H]3CN(C)C[C@H]32)c1O 1346659628 BLYGPRSLPGPERG-MGPQQGTHSA-N 319.405 1.540 10 10 DDCE COc1cccc(CNC(=O)c2cc(C)c(C(N)=O)cn2)c1O 1622772760 FYXKCTKJIUGFFY-UHFFFAOYSA-N 315.329 1.133 10 10 DDCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@]2(CCOC2)O1 1634917044 GNECZLVVSCYWDC-BZNIZROVSA-N 307.346 1.047 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCc3cncn3C2)cc1 1638796888 MEIQCWPSEZMRGG-LBPRGKRZSA-N 312.333 1.790 10 10 DDCE COc1cccc(CNC(=O)Cc2nc(C3CC3)n[nH]2)c1O 1631543256 RZXWCVHESGNUPG-UHFFFAOYSA-N 302.334 1.255 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccnc(-n2cccn2)c1 1653658518 FTUHFGAOSDDWKD-UHFFFAOYSA-N 310.313 1.860 10 10 DDCE CCOC(=O)c1csc(NC(=O)c2cc(O)c(O)cc2O)n1 1848438990 GPBWNKJHZYDOJG-UHFFFAOYSA-N 324.314 1.689 10 10 DDCE COC[C@@H](C)C(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1 1662180305 RZSHYMVZTMUZKF-ZIAGYGMSSA-N 308.422 1.880 10 10 DDCE C[C@@H](CCNC(=O)NCc1ccc(N(C)C)cc1)[S@](C)=O 166841741 YQHGMVAHDRJJDO-LAJNKCICSA-N 311.451 1.709 10 10 DDCE C[C@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(N2CCOCC2)cc1 152337051 ZJDPMJQSAXXQGF-HOCLYGCPSA-N 317.433 1.795 10 10 DDCE CN(C)c1ccc([C@H](CNC(=O)CCN)N2CCCCC2)cc1 1866115395 TVIIUVAFFMPUJU-KRWDZBQOSA-N 318.465 1.745 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)NCCc1ccc(N)cc1 230810238 FTRWFNXFOKJCRH-UHFFFAOYSA-N 314.798 1.177 10 10 DDCE CC(C)(C)OC(=O)N[C@](C)(Cc1cc(O)nc(O)c1)C(=O)O 1952373173 NDEFNGQZZRNPAI-CQSZACIVSA-N 312.322 1.403 10 10 DDCE O=S1(=O)CC2(CC(NCc3ccc(F)c(F)c3O)C2)C1 1973243129 IYOJCELXCMJIIT-UHFFFAOYSA-N 303.330 1.337 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 1988130630 LMCCRYKQUAGYDA-DTWKUNHWSA-N 324.333 1.199 10 10 DDCE OCc1ccc(N2CC([C@@H](F)CO)C2)c(Br)c1 2001919745 DYSDRWXPOXHLEI-NSHDSACASA-N 304.159 1.708 10 10 DDCE OCC1(NCc2cc(Br)ccc2O)CC(O)C1 2018275671 AARANABQCHVKPB-UHFFFAOYSA-N 302.168 1.130 10 10 DDCE CO[C@H]1CN(C)C[C@H]1NCc1ccc(Br)cc1O 2034336304 QNWZXRYAQOJCME-YPMHNXCESA-N 315.211 1.573 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1CO[C@H]2COC[C@H]12 2040326830 UDABLVZUXISFKA-JLLWLGSASA-N 314.179 1.658 10 10 DDCE CCN(CC(N)=O)c1ccc([C@@H](C)N)cc1Br 723180695 BXCQUMJLHLVCME-MRVPVSSYSA-N 300.200 1.780 10 10 DDCE NCc1ccc(N2CCOC[C@@H](O)C2)c(F)c1Br 399948748 UFLIVTOMQANLFE-VIFPVBQESA-N 319.174 1.244 10 10 DDCE COC1CCC(NC(=O)c2cnn3c(O)cc(C)nc23)CC1 2064338660 NCPHELDDRIIVLD-UHFFFAOYSA-N 304.350 1.431 10 10 DDCE COc1cccc(O)c1[C@H](C)n1ncc(S(C)(=O)=O)c1O 2070259937 PBLYXMBGCLEOFC-QMMMGPOBSA-N 312.347 1.316 10 10 DDCE COc1ccc([C@@H](C)n2ncc(C(=O)NC3CC3)c2O)c(O)c1 2070492240 OWVIVJJXRJRRKX-SECBINFHSA-N 317.345 1.804 10 10 DDCE COc1cccc(O)c1[C@H](C)n1cc(C(=O)N(C)C)c(O)n1 2070591483 SLGXBWUWIURTMM-VIFPVBQESA-N 305.334 1.614 10 10 DDCE NCc1ccc(N2CC(n3cnnc3)C2)cc1Br 2050820004 OYWZGNRTIYQCLV-UHFFFAOYSA-N 308.183 1.561 10 10 DDCE N[C@H]1CN(Cc2c(O)cccc2Br)CC[C@@H]1CO 2058516879 PNYHHVZXNWAXSE-SKDRFNHKSA-N 315.211 1.296 10 10 DDCE Nc1ccc(OCC(=O)N2CCC[C@@H](C3OCCO3)C2)cc1 2089607466 VVCBHSFFIPOFQB-GFCCVEGCSA-N 306.362 1.259 10 10 DDCE Cc1nc2n(n1)CCN(c1ccc(CO)c(Br)c1)C2 2114039797 FBPJFNRGARCSNM-UHFFFAOYSA-N 323.194 1.862 10 10 DDCE C[C@H](NC(=O)N1CCCC[C@H](CN=[N+]=[N-])C1)S(C)(=O)=O 2203121469 NFUAKOJNTKUYLL-NXEZZACHSA-N 303.388 1.499 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC(OC(F)(F)F)C2)cc1 2237646085 ANMIQENYOAEDMR-UHFFFAOYSA-N 310.297 1.319 10 10 DDCE [N-]=[N+]=NC1CN(C(=O)c2cc(Br)c(O)cc2O)C1 2256008243 GVKIMLSAAOVTKN-UHFFFAOYSA-N 313.111 1.995 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@@H](C(=O)O)[C@@H]2C)s1 2284496591 CPZPQMDXTMISAZ-IONNQARKSA-N 315.420 1.870 10 10 DDCE CCC1(CS(=O)(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)COC1 2287122425 AGBAEJFCDXXAEL-NSHDSACASA-N 302.400 1.765 10 10 DDCE CN1C(=O)C(=CC=Cc2ccc(N(C)C)cc2)C(=O)N(C)C1=O 2297612601 OMOYVFQIYGSNKR-UHFFFAOYSA-N 313.357 1.743 10 10 DDCE Cn1cc(CCCNC(=O)C=Cc2ccc(O)c(O)c2)cn1 2307986780 BESZGWXXTBIHOZ-UHFFFAOYSA-N 301.346 1.594 10 10 DDCE COCCN(CCOC)C(=O)[C@H](C)Sc1nccs1 64661830 VQKGHVVLJSKEJQ-JTQLQIEISA-N 304.437 1.745 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)c1c[nH]ccc1=O 71223339 YJJJOZYEMKGATM-JTQLQIEISA-N 308.359 1.462 10 10 DDCE 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1.395 10 10 DDCE Cn1ccnc1C(NC(=O)c1cc(O)cs1)c1nccn1C 1453602933 NJTQUQOFGXOQNX-UHFFFAOYSA-N 317.374 1.440 10 10 DDCE COCCNC[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1715376294 IKOMINUCTICNSB-NSHDSACASA-N 321.381 1.546 10 10 DDCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)CC2CC2)cc1C 1717909591 SIUIMJMZPZFYGG-MRXNPFEDSA-N 320.433 1.713 10 10 DDCE CN(CC1CC1)C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1630637386 ZUXWAGQUNLYTLD-HNNXBMFYSA-N 318.417 1.831 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@H]2CCCCS2(=O)=O)C1 1912189316 VOLWULFHFKTFII-WDEREUQCSA-N 300.384 1.503 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912150606 VXMAXHMVPQMQNA-ZETCQYMHSA-N 304.763 1.394 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCCN(S(=O)(=O)NCC(F)(F)F)C1 1912202155 CNOIGSAAYWVPIX-MRVPVSSYSA-N 315.321 1.796 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)C(C)(C)C)cc1C 1571445949 UFAPPHSPDAOMPE-AWEZNQCLSA-N 308.422 1.616 10 10 DDCE CN(C)c1ccc([C@H](CNC(=O)C(=O)O)N2CCCCC2)cc1 1866099745 JBXLGWTWUQQXDP-HNNXBMFYSA-N 319.405 1.480 10 10 DDCE Cc1ccc(O)c(CNCCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1857864299 HSZAPAXVFLUVAN-ZIAGYGMSSA-N 306.406 1.816 10 10 DDCE CN(C)c1ccc(CN=c2[nH]cc(Br)c(=N)[nH]2)cc1 2136040309 SYZQBSHDXDGTKN-UHFFFAOYSA-N 322.210 1.752 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)c2ccccc2O)C1 1921861000 IBMBIQUGVICRJC-BBRMVZONSA-N 308.378 1.764 10 10 DDCE CN(Cc1cc(Br)cc(F)c1O)OCC(=O)O 1942141783 FOEWJLDHGWFTTA-UHFFFAOYSA-N 308.103 1.742 10 10 DDCE CC(C)(C)OC(=O)N1CCNCC[C@H]1c1cc(O)nc(O)c1 1952722389 CEAXGZPCKDYRMY-NSHDSACASA-N 309.366 1.764 10 10 DDCE CNCc1ccc(N2CCS(=O)CC2)c(C(F)(F)F)c1 163695843 VQMVXWDZTLCCKB-UHFFFAOYSA-N 306.353 1.994 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](N2CCC[C@H](N=[N+]=[N-])CC2)C1 2155558845 TVFXBYWCQLBTSA-NWDGAFQWSA-N 301.416 1.575 10 10 DDCE CN(c1ccc(CN)c(Cl)c1)C1CC(S(C)(=O)=O)C1 716154089 SHFRZZXWCCLVEP-UHFFFAOYSA-N 302.827 1.811 10 10 DDCE CC(C)[C@]12CN3C[C@](C)(CN(C1)C3c1ccc(O)cc1O)C2=O 2059113436 RSJGFCQRSTVZCF-ZNXRZULTSA-N 316.401 1.959 10 10 DDCE CN1C[C@H](N(C)Cc2ccc(Br)cc2O)CC1=O 2068195692 IDVTZEZNOPLCHI-LLVKDONJSA-N 313.195 1.817 10 10 DDCE O=c1c2c(ccn1Cc1ccncc1Br)CCNC2 2094416007 YHYUOESUXQMLQF-UHFFFAOYSA-N 320.190 1.700 10 10 DDCE CN1C(=O)C(=Cc2ccc(N3CCCC3)cc2)C(=O)NC1=S 2294216984 WGPJBXABJCGBAC-UHFFFAOYSA-N 315.398 1.543 10 10 DDCE CO[C@H]1COCCN(c2ccc(CO)cc2Br)C1 2326692401 FQSCOKPGTRLZDO-LLVKDONJSA-N 316.195 1.793 10 10 DDCE Cc1nc(S(=O)(=O)N2CC[C@@H](N=[N+]=[N-])C2)c(Cl)n1C 2338795652 LZLAIIIIWXBCRC-SSDOTTSWSA-N 304.763 1.455 10 10 DDCE CC(=O)c1cccc(S(=O)(=O)NCc2ccc(N)cc2)c1 36288613 CRMFXHUHHFMBSC-UHFFFAOYSA-N 304.371 1.950 10 10 DDCE C[C@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)C[C@@H](C)O1 70490466 GIBHEHNDXUNNTD-TXEJJXNPSA-N 314.407 1.087 10 10 DDCE NCCCCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 129742985 FRXUIFCKEUVWOI-UHFFFAOYSA-N 309.385 1.408 10 10 DDCE C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@H](C(N)=O)O1 191444412 COTBRHICXHFRMP-HQJQHLMTSA-N 302.733 1.259 10 10 DDCE C[C@H]1CNCCN1[C@@H](C(=O)N(C)C)c1ccc(N(C)C)cc1 251840471 QKQWXAQECWOKRZ-XJKSGUPXSA-N 304.438 1.176 10 10 DDCE COc1cccc(CN2CCC(CO[C@@H]3CCNC3)CC2)c1O 530249331 VSYWZYKBMAZRET-MRXNPFEDSA-N 320.433 1.991 10 10 DDCE CN(CCCCO)C(=O)NCc1ccc(N2CC=CC2)cc1 276242291 AFPOTJPCMDSDLQ-UHFFFAOYSA-N 303.406 1.977 10 10 DDCE CS(=O)(=O)[C@@H]1CCCC[C@H]1NCc1cccc(F)c1O 292770159 KITTYPWTDFNNRP-CHWSQXEVSA-N 301.383 1.977 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](OC1CCOCC1)c1ccccc1 808530610 ALFUNBIEQXQXIP-INIZCTEOSA-N 320.341 1.625 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H](O)CC 819698271 JYGUUSSZRDYPOT-CYBMUJFWSA-N 309.362 1.445 10 10 DDCE COc1cc(Br)cc(CN2CC(CCO)C2)c1O 839140914 QOVABPPBNBFHLH-UHFFFAOYSA-N 316.195 1.978 10 10 DDCE CN(C)c1ccc(/C=C\CNCCNC(=O)c2cc[nH]n2)cc1 835044229 HVRHENWXTQFXSO-ARJAWSKDSA-N 313.405 1.509 10 10 DDCE C[C@@H](C(=O)Nc1ncccn1)N1CCCc2cc(CN)ccc21 843349586 FGCATTMJXTUREJ-LBPRGKRZSA-N 311.389 1.715 10 10 DDCE CC[C@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(C)cc1O 927021020 ACOYYCPKYLZDHY-AAEUAGOBSA-N 301.408 1.147 10 10 DDCE C=CC(=O)NCCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855233656 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DDCE COc1ccc(O)c([C@H](C)NC(=O)c2cccnc2C(N)=O)c1 787446142 OPOQPSDVVPNNHK-VIFPVBQESA-N 315.329 1.386 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1snc(O)c1Cl 1137443639 XDGKDMOJOJDBNY-UHFFFAOYSA-N 300.723 1.843 10 10 DDCE CNC(=O)CNCc1cc(Cl)cc(Br)c1O 708168439 CJAXNBNVBVUTFU-UHFFFAOYSA-N 307.575 1.644 10 10 DDCE CNC(=O)c1ccc(C)c(NC(=O)Cc2ccc(O)c(O)c2)c1 1141489207 OQMLVSDXZFSKJS-UHFFFAOYSA-N 314.341 1.947 10 10 DDCE O=C1NC[C@H](C(=O)NCc2c(O)cccc2F)c2ccccc21 1303875328 DIPZVQIHCDYHNP-LBPRGKRZSA-N 314.316 1.675 10 10 DDCE CN(C)c1cccnc1CNC(=O)c1c(F)ccc(O)c1O 1306853487 CNJORALPRHTLJF-UHFFFAOYSA-N 305.309 1.628 10 10 DDCE CCS(=O)(=O)Nc1ccc(NS(=O)(=O)CCF)cc1 2121057691 VPZXJSVTPBZBRJ-UHFFFAOYSA-N 310.372 1.159 10 10 DDCE O=C(NCc1nc(C(F)F)no1)N1Cc2cccc(O)c2C1 1263753390 KQMBGYHVGAYIRJ-UHFFFAOYSA-N 310.260 1.938 10 10 DDCE CCO[C@H]1CS(=O)(=O)C[C@@H]1N1CCC(CN=[N+]=[N-])CC1 1912145779 LEKNNGRVCLCRKH-RYUDHWBXSA-N 302.400 1.211 10 10 DDCE COc1cccnc1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1447566183 WTSYYJXRPHWKIM-LLVKDONJSA-N 316.357 1.791 10 10 DDCE CN(c1ccc(CN)c(Br)c1F)[C@H]1CCNC1=O 1916799029 OIUQPUQGKXCGJK-VIFPVBQESA-N 316.174 1.372 10 10 DDCE CN1C[C@H](O)C[C@]1(C)C(=O)NCc1c(O)ccc2ccccc12 1652709082 UYKPWLZLKIWFGZ-FZKQIMNGSA-N 314.385 1.617 10 10 DDCE COc1cc(C2=NN=C3C4CCN(CC4)[C@H]23)cc(OC)c1O 169967389 UOKPSWCIGSMECX-HNNXBMFYSA-N 301.346 1.662 10 10 DDCE C[C@H]1CN(S(=O)(=O)N(C)Cc2ccccc2O)C[C@@H](C)O1 159629976 MEYQJTQALZOQHD-TXEJJXNPSA-N 314.407 1.178 10 10 DDCE O=C(CCN1C(=O)CSC1=S)Nc1ccc(Cl)cn1 1865768765 QYGWJCKWVKSFOY-UHFFFAOYSA-N 315.807 1.924 10 10 DDCE COc1ccc(Br)c(CNC[C@H]2CCN2C)c1O 1965948770 NNWKXBWRESMUAP-SECBINFHSA-N 315.211 1.957 10 10 DDCE C[C@H](O)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)c(Cl)c1 2144164273 GAHMIZVXCHGFEY-ZMLRMANQSA-N 315.822 1.874 10 10 DDCE C[C@H](CS(=O)(=O)N(C)C)N[C@H](C)c1cc(F)ccc1O 1967466088 QZQZHQOFDOIGET-NXEZZACHSA-N 304.387 1.462 10 10 DDCE NCc1ccc(N2C[C@H]3CCCS(=O)(=O)[C@H]3C2)c(Cl)c1 2145065421 VEAWYDNMJIRZLC-RISCZKNCSA-N 314.838 1.812 10 10 DDCE C[C@H]1C[C@]1(CNC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980371467 WAGVREKRTHYMHM-GUUCOKDPSA-N 324.421 1.803 10 10 DDCE Cc1cn(CCNCc2cc(Br)ccc2O)nn1 2033277827 KSLOZZDNIIVHNG-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE C[C@H]1CN(c2cc(Br)c(CN)cc2F)C[C@@H]1O 387568527 JCNLWOQHSADFPF-MADCSZMMSA-N 303.175 1.864 10 10 DDCE O=C(NCc1c(O)cc(O)cc1O)[C@@H]1CCOC2(CCC2)C1 2064716381 ONXVSHNKDSFRRI-SNVBAGLBSA-N 307.346 1.769 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 2047622485 AKQAZBBSQMHAPB-ARYHEIGVSA-N 313.195 1.573 10 10 DDCE CN(C)c1ccc([C@H](N)c2nc(Br)nn2C)cc1 2052959962 OLFQNKKJEQAKEM-JTQLQIEISA-N 310.199 1.692 10 10 DDCE O=S(=O)(Nc1ccc(O)c(F)c1)c1ccsc1CO 2101565073 UCPVYRYPCICQDL-UHFFFAOYSA-N 303.336 1.886 10 10 DDCE COCCNC(=O)CN(C)[C@H](C)c1ccc(Cl)cc1O 2203363267 RFLGENQGKXAHKK-SNVBAGLBSA-N 300.786 1.801 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@@H](C)[C@@H]2C(=O)O)s1 2284501779 UVWAFHTZDMAMPM-VXNVDRBHSA-N 315.420 1.870 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NCCCN1CCCC1=O 2307978867 RKALSFHJJDPFCZ-UHFFFAOYSA-N 304.346 1.240 10 10 DDCE COCC[C@H](CO)NCc1ccc(C)c(Br)c1O 2327623849 LPZZYXCQBKUZGK-LLVKDONJSA-N 318.211 1.950 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCNC[C@H]2C)s1 2346911309 RCFPSKWBPSORTI-PRHODGIISA-N 301.437 1.407 10 10 DDCE CC[C@H]1C(=O)NCCN1c1ccc(CN)c(C(F)(F)F)c1 110676279 CPAJXYARVDAZJH-LBPRGKRZSA-N 301.312 1.879 10 10 DDCE CN(c1ccc(CNC2CC2)cc1F)[C@H]1CCS(=O)(=O)C1 36870460 AAGUFUBNHIAXCA-ZDUSSCGKSA-N 312.410 1.701 10 10 DDCE COc1cc(Cl)cc(CNN(C)S(=O)(=O)C(C)C)c1O 2365338646 GGEWUXYDRBSMRY-UHFFFAOYSA-N 322.814 1.729 10 10 DDCE COc1cc(Cl)c(N2C[C@@H](CO)OC[C@@H]2C)c(OC)c1 2368303191 PRQBKUNJQPSRGS-ONGXEEELSA-N 301.770 1.943 10 10 DDCE CN(C)c1ccc(CNC(=O)CN[C@H]2CCOC2(C)C)cc1 295242779 PMPXUWCXKBLJLR-HNNXBMFYSA-N 305.422 1.526 10 10 DDCE COc1ccc(N2CCCN(C[C@@](C)(O)C(C)=O)CC2)cc1 827468487 SQVAPKJHQINSHG-QGZVFWFLSA-N 306.406 1.547 10 10 DDCE COC(=O)[C@@H]1OCC[C@@H]1NCc1cc(Cl)cc(OC)c1O 826963312 YMYFUUOLEJBBDY-GXFFZTMASA-N 315.753 1.474 10 10 DDCE Cn1cccc(C(=O)NCCCSc2nccs2)c1=O 733974455 SLYCSTKWIJJMEX-UHFFFAOYSA-N 309.416 1.754 10 10 DDCE COC(=O)[C@H](NCc1ccc(N(C)C)cc1)c1ccnn1C 830369814 OKDCWBRQGYYOPN-OAHLLOKOSA-N 302.378 1.490 10 10 DDCE CN1CCN(c2ccc(CNC(=O)c3n[nH]cc3F)cc2)CC1 918905511 GMINBNYTGJMGNZ-UHFFFAOYSA-N 317.368 1.231 10 10 DDCE COc1cccc(CNC(=O)c2cn(C3CCC3)nn2)c1O 843833853 XKUOYPOYLRNHMC-UHFFFAOYSA-N 302.334 1.647 10 10 DDCE C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C1 842237583 VPJCIAAHUBHWJF-MGPQQGTHSA-N 317.433 1.821 10 10 DDCE COC(OC)[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 922314498 ZELGTFKVLWZAJS-CYBMUJFWSA-N 308.422 1.745 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(c2cc(O)nc(O)c2)C[C@H]1C(=O)O 1952975832 SWQINOXNEWWLBL-RTHLEPHNSA-N 310.306 1.317 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCN[C@H]3C)C2)cc1 851640496 WMFBGVNDSYYWBO-HEHGZKQESA-N 303.406 1.388 10 10 DDCE CCC(=O)N[C@@H](C)C(=O)NCc1ccc2cccnc2c1O 862029337 VSPJWLQBOWOOBW-JTQLQIEISA-N 301.346 1.471 10 10 DDCE COC(=O)[C@@]1(OC)CCN(Cc2cc3c(cc2O)CCC3)C1 863296818 LZXPBVQCVDDEGQ-QGZVFWFLSA-N 305.374 1.645 10 10 DDCE O=C(Cn1ccc(=O)c2ccccc21)NCc1ccc(O)c(O)c1 768914928 MYNCORNRWSZKEE-UHFFFAOYSA-N 324.336 1.729 10 10 DDCE CC(=O)N1CCN(C(=O)[C@@H](C)N[C@@H](C)c2ccccc2O)CC1 879652174 WRZQPKHLQUGNCG-QWHCGFSZSA-N 319.405 1.122 10 10 DDCE CCOc1ccc(CN2CCCN(CCOC)C(=O)C2)c(O)c1 787440489 HTAJYEOJQADFSG-UHFFFAOYSA-N 322.405 1.472 10 10 DDCE CNC(=O)C(C)(C)CNC(=O)c1cc2cc(O)c(O)cc2s1 897097828 GHJFHUJNQYTJTR-UHFFFAOYSA-N 322.386 1.815 10 10 DDCE CNC(=O)c1cc(C)ccc1NC(=O)Cc1ccc(O)c(O)c1 1136950662 MWETYJMYRFXVHZ-UHFFFAOYSA-N 314.341 1.947 10 10 DDCE CC(C)[C@H]1C(=O)NCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1143807229 PURHYHFLJPYOBN-LBPRGKRZSA-N 317.349 1.446 10 10 DDCE CCc1c(C(=O)NCCc2ccc(O)c(O)c2)cnn1CC 1150487234 BDPSBKHYPQZCDE-UHFFFAOYSA-N 303.362 1.849 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCC(=O)N1C 1356267518 QGBZXXYUUIYNRW-INIZCTEOSA-N 315.417 1.866 10 10 DDCE CC1(C(N)=O)CN(c2cc(Br)c(CN)cc2F)C1 1914203661 UPWAHKYCDKIUFL-UHFFFAOYSA-N 316.174 1.359 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCN3CCOC[C@@H]3C2)cc1 1466756873 VEBNBUYBPFFOTD-ZDUSSCGKSA-N 317.349 1.006 10 10 DDCE CN1C[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)CCC1=O 1628812645 ZLAYESFBEWHQIW-GFCCVEGCSA-N 317.349 1.542 10 10 DDCE CC(C)[C@@]1(CO)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1569585467 APCLXXHYQZUPKP-KRWDZBQOSA-N 307.390 1.897 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1588155468 FFSUTSNLBFPWRT-HNNXBMFYSA-N 316.313 1.992 10 10 DDCE Nc1ccc(Cc2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3)cc2)cc1 1866039652 BGZFWKCQGLQNLF-SJORKVTESA-N 311.385 1.521 10 10 DDCE COc1c(O)c(C)cc2c1C(=O)c1c(O)cc(O)cc1C2=O 14760863 JGWNHIDADWFGIJ-UHFFFAOYSA-N 300.266 1.896 10 10 DDCE biogenic,in-vitro CN(C[C@](C)(O)CO)c1ccc(CNC(=O)OC(C)(C)C)cc1 1980067496 KCXDMGICIKBIPR-KRWDZBQOSA-N 324.421 1.891 10 10 DDCE Nc1ccc(OCCC(=O)N2CCC[C@H](C3OCCO3)C2)cc1 2145845540 JQEVVGQXDGYKRO-ZDUSSCGKSA-N 320.389 1.649 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@@H]2C[C@H]2C(F)(F)F)cc1 2159790378 MVXJJJAEDRLUIZ-GXSJLCMTSA-N 308.325 1.887 10 10 DDCE C[C@@H]1CC(=O)NCCN1c1ccc(CO)cc1Br 687863533 DKSJTGAVRHHDIR-SECBINFHSA-N 313.195 1.656 10 10 DDCE NC(=O)NCCNCc1cc(Cl)cc(Br)c1O 708101502 ZLLXJBPHUYTQJJ-UHFFFAOYSA-N 322.590 1.566 10 10 DDCE CN(c1ccc(CO)c(Cl)c1)C1CC(S(C)(=O)=O)C1 716096273 KABCPOLIPNEFGZ-UHFFFAOYSA-N 303.811 1.844 10 10 DDCE C[C@@H](N)c1ccc(N2CCOC[C@H](O)C2)c(Br)c1 399840248 BUXINJBDBZEFDT-MWLCHTKSSA-N 315.211 1.666 10 10 DDCE [N-]=[N+]=N[C@H]1CCCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 2197931316 NCZWDSUXMWDVFA-VHSXEESVSA-N 301.372 1.048 10 10 DDCE Nc1ccc(CS(=O)(=O)N(CC(F)F)C2COC2)cc1 2196640193 UOPJKYYGOVMZFT-UHFFFAOYSA-N 306.334 1.065 10 10 DDCE C[C@@H]1[C@H](O)CN1c1cc2c(cc1Br)[C@H](O)C(=O)N2 2062248854 ZBSUSZXAIMQZJP-ORCOQGSOSA-N 313.151 1.004 10 10 DDCE C[C@@H](O)c1cc(F)c(N2CCCS(=O)(=O)CC2)c(F)c1 2194509887 HHFVBBYFVSCLEQ-SECBINFHSA-N 305.346 1.643 10 10 DDCE NCc1cc(F)c(N2CC[C@H]3C[C@H]2[C@@H](O)[C@H]3O)cc1Cl 2199531011 HRTHWLPWEUATLZ-VTCIIQITSA-N 300.761 1.258 10 10 DDCE CSc1ncc(CNC(=O)C2(N)CC(C(F)F)C2)s1 2269198235 JRQDCAZJWMVGTG-UHFFFAOYSA-N 307.391 1.854 10 10 DDCE CCn1nc(C)c([C@H](NCCN=[N+]=[N-])C(=O)OC)c1Cl 2281296483 WBMZOSPBMPSSPQ-VIFPVBQESA-N 300.750 1.979 10 10 DDCE CC(C)C[C@H](NC(N)=O)C(=O)NCc1ccc(N(C)C)c(F)c1 57557992 JSNWAHAWMMOQCI-ZDUSSCGKSA-N 324.400 1.591 10 10 DDCE CC1CCC(CO)(NS(=O)(=O)Cc2ccc(N)cc2)CC1 53113029 VZNFZTMCSZPJSA-UHFFFAOYSA-N 312.435 1.629 10 10 DDCE CCCCN/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 103773234 UHOZUYWHACIMAB-JLHYYAGUSA-N 301.346 1.539 10 10 DDCE COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc(C(=O)OC)cc1 33285486 YNIFXUKBFVUFFM-XYOKQWHBSA-N 301.298 1.433 10 10 DDCE COc1ccc(N2CCN(CCC(=O)NC(C)C)CC2)cc1 46502327 UBLCISCMVZNMNE-UHFFFAOYSA-N 305.422 1.732 10 10 DDCE N[C@@H]1CCCN(c2ccc(O[C@@H]3CCS(=O)(=O)C3)cc2)C1 43471047 YAQDETQZOOJJRX-IUODEOHRSA-N 310.419 1.180 10 10 DDCE Cc1cc(I)cc([C@@H]2COCCN2)c1O 238546928 CDLUAUVBMPQOSN-JTQLQIEISA-N 319.142 1.966 10 10 DDCE CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1C[C@H](C)O 245698659 CRBJIWCJGZSTSJ-GXTWGEPZSA-N 322.405 1.398 10 10 DDCE CCn1c(O)c(C(=N)C(C)C)c2c(c1=O)CN(C(C)=O)CC2 255967541 CPXLOHDGFBMMHB-UHFFFAOYSA-N 305.378 1.502 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 808508198 VUDLYZLHCPJTJY-GFCCVEGCSA-N 323.732 1.394 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@@H](C(F)F)C1)[C@H](O)CO2 800853480 RIBKSMWXOZDFPN-DGCLKSJQSA-N 301.289 1.284 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)cc1 800390882 VCVTXNVLABDQRB-GYAUYIMDSA-N 322.408 1.696 10 10 DDCE CC[C@H](Cn1cncn1)NC[C@@H](N)c1ccc(N(C)C)cc1 817942847 RGGWYQHATCKYDO-GDBMZVCRSA-N 302.426 1.412 10 10 DDCE CC[C@H]1[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1O 824636521 ROHHKSLMNCKRGK-NEPJUHHUSA-N 310.350 1.902 10 10 DDCE C/C=C\[C@H](O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 901175418 LCMHYSJUVNAZSY-VZZZPFCSSA-N 305.374 1.837 10 10 DDCE C[C@@H]1CC[C@@H](C)N(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1 846248325 WSJUDVUFWFYOKI-NXEZZACHSA-N 304.350 1.754 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H]1Cc1ccc(O)c(O)c1 1952306499 NDMAYWLBOUAUGW-NEPJUHHUSA-N 308.378 1.977 10 10 DDCE O=C1C[C@H](CCNCc2ccc(N3CCOCC3)c(F)c2)CN1 922781283 KHLHDVXWXYQCJU-AWEZNQCLSA-N 321.396 1.278 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3nccn3C)C2)cc1 853817655 JDPMUKCYHPQNRJ-LBPRGKRZSA-N 300.362 1.437 10 10 DDCE CCN(C)c1ccc([C@@H](C)NC[C@]2(OCCO)CCOC2)cc1 850510802 XVIGAQUWRZHGDS-CRAIPNDOSA-N 322.449 1.961 10 10 DDCE CNC(=O)NC[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1 862459185 OKGUNFGNAYZPQZ-ZDUSSCGKSA-N 324.400 1.022 10 10 DDCE COCC(=O)N[C@H](C(=O)N1Cc2cccc(O)c2C1)C(C)C 871202486 JFISDFXCLHKYCB-HNNXBMFYSA-N 306.362 1.022 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)COc1ccccc1 1137400317 RNPRUXZBAIFRQG-CYBMUJFWSA-N 317.341 1.196 10 10 DDCE O=C(O)[C@H]1CC[C@@H](S(=O)(=O)Nc2ccc(O)c(F)c2)C1 712839016 MNYUZZHXRFEKEH-IONNQARKSA-N 303.311 1.526 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1156885526 IATOOYOHYMLESK-MNOVXSKESA-N 321.251 1.060 10 10 DDCE CS(=O)(=O)c1cc(C(=O)NCc2cc(O)ccc2O)co1 1153885425 OPNUTMNSUXYBCN-UHFFFAOYSA-N 311.315 1.024 10 10 DDCE COC(=O)C1=CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1300814712 GVLKDVCHQQRZRP-GFCCVEGCSA-N 316.317 1.841 10 10 DDCE CN(CCN=[N+]=[N-])S(=O)(=O)c1c(Br)cnn1C 1912167300 JJXAZCQYGIBYHC-UHFFFAOYSA-N 323.176 1.113 10 10 DDCE Cc1ccc(O)c([C@@H](C)NCC(C)(C)NS(C)(=O)=O)c1 109041179 XUMCXSYVJGNROY-LLVKDONJSA-N 300.424 1.679 10 10 DDCE Cc1nnc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)n1C 1467243689 CQMDOZNWBVEDAY-UHFFFAOYSA-N 315.337 1.258 10 10 DDCE COc1cnc(F)c(C(=O)NCCc2ccc(O)c(O)c2)c1 1465982263 ZSYYHGIUXFMPLW-UHFFFAOYSA-N 306.293 1.613 10 10 DDCE Cn1nnnc1CCNCc1ccc(Br)cc1O 825405555 IXHOCQDDZIJFRP-UHFFFAOYSA-N 312.171 1.011 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NCc2n[nH]c(C)n2)c1 1471522291 WHLCLEDBATVBDT-QMMMGPOBSA-N 305.338 1.388 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)cc1 1625730549 TXFQPCLJPQFANO-DRZSPHRISA-N 302.334 1.834 10 10 DDCE Cn1nccc1CCNC(=O)c1ccc(N=NC(N)=O)cc1 1633621681 UKMWQODNGMYFBT-UHFFFAOYSA-N 300.322 1.555 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)cc1 1631900581 DQOFSXMWENXSJH-ZPMVXHMNSA-N 306.347 1.194 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)Cc1ccc(O)cc1 1567100745 BYFLGPYJGWIQBM-ZDUSSCGKSA-N 317.341 1.066 10 10 DDCE O=C(NCc1c(O)cccc1F)C1(O)Cc2ccccc2C1 1638863662 PCHJLXMPILQZBO-UHFFFAOYSA-N 301.317 1.677 10 10 DDCE CN(C)c1ccc(CNc2cc(C(N)=O)nc(Cl)n2)cc1 1639197808 IJKRXDOOOSTGLC-UHFFFAOYSA-N 305.769 1.907 10 10 DDCE CN(C)C(=O)C1CCC(C(=O)NCc2cc(O)ccc2O)CC1 1643881955 LRPHKFWVTUZWTD-UHFFFAOYSA-N 320.389 1.609 10 10 DDCE C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3c(O)cccc3O)CN2C1 1647291246 VEMHASHBVBECLD-UPJWGTAASA-N 304.390 1.834 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc2nonc2c1 1653402850 SACASERORIMOFN-UTCJRWHESA-N 311.297 1.964 10 10 DDCE COc1ccc(N2CCN(C[C@H](O)C(C)(C)O)CC2)cc1F 1652873063 ALKVITDIDZFPGV-HNNXBMFYSA-N 312.385 1.088 10 10 DDCE O=C(CCn1cc([N+](=O)[O-])cn1)NCc1c(O)cccc1F 1652295067 AWQBRIKVQBFGOT-UHFFFAOYSA-N 308.269 1.343 10 10 DDCE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)Cc1ccc(N)cc1 1959370657 HWNAFQPLNNXTGT-NSHDSACASA-N 307.394 1.841 10 10 DDCE COc1cc(C)cc(CN2CCN(c3cccnn3)CC2)c1O 164259355 FZIGCPUHMMRREW-UHFFFAOYSA-N 314.389 1.821 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@H](F)C2)cc1Br 1944293907 QYIHKQYZOUXUJQ-UPZJHPNMSA-N 303.175 1.988 10 10 DDCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1ncc(C(F)(F)F)s1 2156081041 PSULJSFZNPXKPH-ZCFIWIBFSA-N 308.289 1.978 10 10 DDCE CNCc1ccc(N(C)CC(CO)CO)cc1Br 2033013075 DSWTZXJFVFIZQS-UHFFFAOYSA-N 317.227 1.206 10 10 DDCE CNCc1ccc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(F)c1 2170652859 YFQCVFHLVFERTL-WDEREUQCSA-N 302.415 1.803 10 10 DDCE O=C(O)[C@H]1CNCCN1Cc1c(O)cccc1Br 706806664 UWVIPDYZBPSSPJ-SNVBAGLBSA-N 315.167 1.013 10 10 DDCE CCOC(=O)C1=C(C)NC(=O)C1=CNc1ccc(OC)cc1 2053542078 WAMHHUVGKDLYRA-UHFFFAOYSA-N 302.330 1.958 10 10 DDCE Oc1ccc(Br)cc1CNCCCn1cnnc1 381891104 JOVSNTPRGBSHND-UHFFFAOYSA-N 311.183 1.926 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC[C@@H]2CCCS2)cc1 715956788 XHCFMXQZBHTYRZ-ZDUSSCGKSA-N 300.449 1.974 10 10 DDCE CCN(c1ccc(CN)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 387392566 PEMOZTMTNZAOFF-SNVBAGLBSA-N 304.362 1.437 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@H](C(N)=O)C2)cc1Br 723171349 QBHKNTDDAFKTJQ-BDAKNGLRSA-N 312.211 1.780 10 10 DDCE O=C1Nc2cc(N3CC([C@H](F)CO)C3)c(Cl)cc2[C@@H]1O 2166897203 VTIZCYWADDTPKZ-SKDRFNHKSA-N 300.717 1.092 10 10 DDCE Nc1ccc(O)c(CNS(=O)(=O)[C@H]2CCCC[C@H]2F)c1 2175575347 UGFIPDZXXXQYOR-YPMHNXCESA-N 302.371 1.675 10 10 DDCE CCCN(CCS(C)(=O)=O)c1ccc([C@H](C)N)c(O)c1 2170177710 MKVPTMAMFAUXMF-NSHDSACASA-N 300.424 1.673 10 10 DDCE CCn1nnc(CNCc2cccc(Br)c2O)n1 2077211395 WYZGLBMCGXIFJS-UHFFFAOYSA-N 312.171 1.451 10 10 DDCE Oc1ccnc(CCNCc2c(O)cccc2Br)n1 2106918490 ZIEVNBVRBCFISL-UHFFFAOYSA-N 324.178 1.983 10 10 DDCE Nc1cc2c(cc1N1CC[C@H](C3OCCO3)C1)CCC(=O)N2 2089613687 JNRMAVSJUWDXHS-NSHDSACASA-N 303.362 1.353 10 10 DDCE CSc1ncc(CN[C@@H]2CCCN(S(C)(=O)=O)C2)s1 2208468294 SIPGTADBLJMFCF-SECBINFHSA-N 321.493 1.379 10 10 DDCE C[C@H]1CC[C@H](S(C)(=O)=O)CN1Cc1cc(F)ccc1O 2279352780 LYMFAVOBHAYFKL-GWCFXTLKSA-N 301.383 1.929 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCCN[C@@H]2C)s1 2345358170 ZTESHXPNVLPIIG-PELKAZGASA-N 301.437 1.550 10 10 DDCE CSc1ncc(CNC2(C(=O)O)CC3(COC3)C2)s1 2349506425 XUXMKWIIJOOWHZ-UHFFFAOYSA-N 300.405 1.588 10 10 DDCE CN1CCCc2cc(CNS(=O)(=O)C3CCOCC3)ccc21 103158385 CATXOWTWLBPIFS-UHFFFAOYSA-N 324.446 1.667 10 10 DDCE CCN(CC(=O)NC(C)C)Cc1cc(OC)c(OC)cc1O 179559189 NXQHTQDFXXFBPF-UHFFFAOYSA-N 310.394 1.756 10 10 DDCE COc1c(O)c(C)c(O)c2c1C(=O)c1c(O)cccc1C2=O 14760873 XALWFFABZJVCTO-UHFFFAOYSA-N 300.266 1.896 10 10 DDCE biogenic Cc1nc(S(=O)(=O)NCCN=[N+]=[N-])c(Br)n1C 383330205 VGJYUQYQQSQHPR-UHFFFAOYSA-N 323.176 1.080 10 10 DDCE COc1ccc(N2CCN(C(=O)CC(=O)NC(C)C)CC2)cc1 243670264 PDOFNQFCXDATRC-UHFFFAOYSA-N 319.405 1.259 10 10 DDCE CCOC(=O)N(CCN)C(=O)N(C(C)=O)c1ccc(N)cc1 244452572 ZCPNJIPUWLKMQU-UHFFFAOYSA-N 308.338 1.159 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 808536135 KKTLAKFMOWCVOD-UHFFFAOYSA-N 303.629 1.702 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(Br)c(F)c1 808509479 VKKILPHGIAWMPF-UHFFFAOYSA-N 303.083 1.903 10 10 DDCE NC(=O)[C@@H]1CCCC[C@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 588405091 GKCLNTKGTJTGSO-WAIVJAFWSA-N 304.346 1.271 10 10 DDCE CC(C)C(=O)NCCN(C)C(=O)/C=C\c1ccc(O)c(O)c1 588407912 XBLRKRNCISYEHD-ALCCZGGFSA-N 306.362 1.342 10 10 DDCE COC(=O)c1cc2ccccc2c(CN2CCNC(=O)C2)c1O 732460651 CBBVIKXNMQKXNM-UHFFFAOYSA-N 314.341 1.264 10 10 DDCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](CF)C(=O)O 908847091 HOVZFFGFLRCVGU-ZDUSSCGKSA-N 309.341 1.509 10 10 DDCE C[C@@H](N)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 841713296 XWPPWNBCIUUOIN-VXGBXAGGSA-N 324.400 1.197 10 10 DDCE CO[C@@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCSC1 928506348 QVLWLMHFXSERSK-UYWPIULCSA-N 309.387 1.749 10 10 DDCE C[C@H]1C[C@@H](S(=O)(=O)NCc2c(O)cccc2F)CCO1 921452389 NMRZJHRNYIKIMP-UWVGGRQHSA-N 303.355 1.518 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](O)C3CCC3)C2)cc1 855223118 FBVCDINAKFOEJO-CJNGLKHVSA-N 304.390 1.551 10 10 DDCE O=C(NCCCSc1nccs1)N1CC[C@@]2(O)C[C@H]2C1 853854417 AODPXXWCEAXEGK-GXFFZTMASA-N 313.448 1.792 10 10 DDCE COc1ccc(N2CCCN(c3nc(C)nc(N)n3)CC2)cc1 865456181 RIGSGHTWSGNTFW-UHFFFAOYSA-N 314.393 1.488 10 10 DDCE CCO[C@@H](C(=O)NCc1ccc(O)c(O)c1)C1CCOCC1 866770294 VGWMAEKCKNOBDL-OAHLLOKOSA-N 309.362 1.546 10 10 DDCE COC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@@H]1CCCO1 868556339 KNPHWXDXAPPLMZ-WHOFXGATSA-N 308.378 1.946 10 10 DDCE COc1ccc(N2CCCN([C@@H]3CCC(=O)NC3=O)CC2)cc1 765961713 DZBVTVRKNDFFDP-OAHLLOKOSA-N 317.389 1.013 10 10 DDCE COC[C@](C)(CO)NCc1cc(Cl)cc([N+](=O)[O-])c1O 777483140 GHAKQZIIMGTXSU-LBPRGKRZSA-N 304.730 1.441 10 10 DDCE CCOC(=O)[C@@H]1CN(Cc2ccc(N(C)CC)cc2)CCO1 773756718 YKFNCDMWOOTQBQ-INIZCTEOSA-N 306.406 1.907 10 10 DDCE COc1cc(NC(=O)NCc2ccc(N(C)C)cc2)n(C)n1 881252808 CQPAMMCTVXPAQK-UHFFFAOYSA-N 303.366 1.816 10 10 DDCE CCN1CC[C@@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 1136546502 KPCJLZFNMABVQJ-QGZVFWFLSA-N 317.433 1.874 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CO[C@H]1CCOC1 1333968387 CFUOTYCZUUISHY-NSHDSACASA-N 300.351 1.300 10 10 DDCE CON(CC(=O)N(C)CCCN=[N+]=[N-])C(=O)OC(C)(C)C 1885562736 KAKXLZYAFDYNHM-UHFFFAOYSA-N 301.347 1.944 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(O)nn2)c1 1228953187 HUGZOPVGHZFYKP-VIFPVBQESA-N 318.333 1.457 10 10 DDCE COCCCN1C(=O)CC[C@H](N)[C@@H]1c1ccc(N(C)C)cc1 62213826 CQCFKAGOGADFGW-RDJZCZTQSA-N 305.422 1.780 10 10 DDCE C[C@@H](OCc1ccccc1)[C@H](N)C(=O)NCc1ccccc1O 706070880 RMNIBDPLYQJPBC-DYVFJYSZSA-N 314.385 1.941 10 10 DDCE Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)cc1 1328334527 QVZQRHMFGWOMDC-IJLUTSLNSA-N 309.316 1.757 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@@H]2CC[C@H](C(=O)O)C2)c1O 1345945145 YOWOXUDEOYVNOY-WCBMZHEXSA-N 310.306 1.652 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cncnc1-n1cccn1 1452541498 JQYPVTQGMAQVIW-UHFFFAOYSA-N 311.301 1.255 10 10 DDCE Cc1c(CC(=O)NCc2ccc3cccnc3c2O)cnn1C 1299726677 WKDPKDWUCJGEMV-UHFFFAOYSA-N 310.357 1.841 10 10 DDCE COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(O)cc1O 1469161300 XELGIMBUTNLFEF-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE CN1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1=O 1628954799 SCPTYAUOABUDOE-MRXNPFEDSA-N 315.417 1.724 10 10 DDCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NOCC(N)=O)c1 1631793283 MIUWLZYLFLORSM-UHFFFAOYSA-N 315.329 1.053 10 10 DDCE COC(=O)C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1635639736 MIHZITBJECCFDF-LBPRGKRZSA-N 318.333 1.921 10 10 DDCE COC(=O)c1cc(C(=O)NCc2ccc(O)cc2O)c(C)o1 1638357812 VLAYJJGVCLVXDC-UHFFFAOYSA-N 305.286 1.716 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2cocn2)cc1C 1731583242 UWVLCJFYTOICDZ-LBPRGKRZSA-N 303.362 1.900 10 10 DDCE O=C1C[C@@H](CNC(=O)c2cccc(O)c2O)Oc2ccccc21 1642866931 MUQRGIDAWZBPOQ-JTQLQIEISA-N 313.309 1.862 10 10 DDCE Cn1cc(C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)nn1 1889931748 IEJWTNSAVBYYDE-ZFWWWQNUSA-N 311.389 1.734 10 10 DDCE COc1ccc(CNC(=O)c2cc(O)c(O)c(O)c2)cc1OC 1857595798 WQDGPUDSAUCHKM-UHFFFAOYSA-N 319.313 1.751 10 10 DDCE COC(=O)[C@@](C)(N)c1cc(Br)cc(OC)c1O 1952264117 GLSLNYUDZVTXPL-NSHDSACASA-N 304.140 1.510 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NC(=O)c1cccc(O)c1O 1986693117 CGSRUKIVTXNJSA-GHMZBOCLSA-N 322.361 1.883 10 10 DDCE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1ccc(N)cc1 1993275975 QBJDLADJLXEKLG-GWCFXTLKSA-N 323.393 1.506 10 10 DDCE CNCc1ccc(N2CC(C(=O)NC)C2)c(Br)c1 381988688 OWZTXLWGQHBFBB-UHFFFAOYSA-N 312.211 1.351 10 10 DDCE COC(=O)C=Cc1ccc(N2CC(N(C)OC)C2)c([N+](=O)[O-])c1 2059802427 UKQWOWLYKGZBCJ-UHFFFAOYSA-N 321.333 1.463 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)c2n1 2064081784 PXVPIEPPFOVDFT-STQMWFEESA-N 316.361 1.527 10 10 DDCE C[C@H]1[C@H](C)S(=O)(=O)CCN1c1c(F)cc(CN)cc1F 2170281120 WWFQGJUEVYTOSG-IUCAKERBSA-N 304.362 1.435 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCCN(S(=O)(=O)C[C@H]2CCC2=O)C1 2178183219 DDDKUXYEXBUPKX-GHMZBOCLSA-N 300.384 1.708 10 10 DDCE C[C@@H](O)c1cc(F)c(N2C[C@H]3C[C@H]2CS3(=O)=O)c(F)c1 2194514648 QFSDSWQNYPUTTJ-FKTZTGRPSA-N 303.330 1.394 10 10 DDCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@H]2CF)c(Cl)c1 2205606947 DNNPCBYJSNZFMW-HZSPNIEDSA-N 302.777 1.329 10 10 DDCE COc1cc(OC)c(N2C[C@H](O)[C@H](O)[C@H]2CF)cc1Cl 2285876417 YZMABTFAQRPOHI-GBIKHYSHSA-N 305.733 1.237 10 10 DDCE COCCCC[S@](=O)C[C@@H](O)COc1ccc(N)cc1 2287528812 APKYVCIKCFPMDI-RBZFPXEDSA-N 301.408 1.184 10 10 DDCE CN1C(=O)NC(=O)C(=Cc2ccc(Br)cc2)C1=O 2313548388 UXFFKMSOBRZOOP-UHFFFAOYSA-N 309.119 1.541 10 10 DDCE CNC(=O)C1CN(Cc2ccc(C)c(Br)c2O)C1 2327603832 TZROYAGFVBVUII-UHFFFAOYSA-N 313.195 1.641 10 10 DDCE COc1ccc(O)c([C@@H](C)NCC(C)(C)NS(C)(=O)=O)c1 109041085 UHKGTQHTJNEENA-SNVBAGLBSA-N 316.423 1.379 10 10 DDCE CC(C)(C)OC(=O)N1CC(NCc2cc3c(cc2O)OCO3)C1 228777556 BCNPWNPZFYWWGR-UHFFFAOYSA-N 322.361 1.830 10 10 DDCE COc1cc(Cl)c(N2CC[C@H](O)[C@](C)(O)C2)c(OC)c1 2368095106 CZUDFQFIKOCLAW-GXTWGEPZSA-N 301.770 1.679 10 10 DDCE NCc1ccc(N2CC[C@@H](S(=O)(=O)C(F)F)C2)cc1F 2368733278 ZRHDJKXQRKHMRY-SNVBAGLBSA-N 308.325 1.501 10 10 DDCE Nc1c(I)ccc([C@@H]2CCC(=O)N2)c1O 238579444 RWOFSSWAODBMNB-ZETCQYMHSA-N 318.114 1.530 10 10 DDCE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NCc1ccc2c(c1)CCO2 800309705 MQIKVOZKOJGNNN-LSDHHAIUSA-N 324.446 1.429 10 10 DDCE Nc1ccc(CNS(=O)(=O)C[C@@H]2C[C@H]2C(F)(F)F)cc1 2164633794 MEAUKRFKCSAHLE-GXSJLCMTSA-N 308.325 1.887 10 10 DDCE Nc1ccc(CNS(=O)(=O)c2cnc(Cl)c(F)c2)cc1 2162380465 YGZNCRKXIWMXKK-UHFFFAOYSA-N 315.757 1.935 10 10 DDCE COC(=O)[C@@H]1[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@H]21 814172778 CNWJBFPVOWENON-FVQHAEBGSA-N 316.401 1.374 10 10 DDCE O=C(NCc1ccccc1O)C(=O)Nc1cccc(C2CC2)n1 815450477 CTBINHIDQZVJMB-UHFFFAOYSA-N 311.341 1.920 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@H](O)C2(C)C)cc1F 813051082 IBVWQIDBRSUMPU-AWEZNQCLSA-N 309.385 1.947 10 10 DDCE Cn1cc(CNC(=O)Cc2ccc(N)cc2)c(Br)n1 720638288 VZISCBPDHVCELY-UHFFFAOYSA-N 323.194 1.624 10 10 DDCE O=C(Cn1ccc(-c2cccnc2)cc1=O)Nc1ccccn1 821185882 RIDHYAAKLVTHMW-UHFFFAOYSA-N 306.325 1.944 10 10 DDCE Cn1c(/C=C2/SC(N3CCOCC3)=NC2=O)cnc1Cl 901443846 SPGOPSODDYRABM-RMKNXTFCSA-N 312.782 1.376 10 10 DDCE CCC(=O)N1CSC[C@H]1C(=O)NCc1cc(OC)ccc1O 734017613 QSUSZVPJBRJETA-LBPRGKRZSA-N 324.402 1.329 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)[C@H](C)N)cc1 846176840 JBTRNOADNNYQDS-QWHCGFSZSA-N 308.426 1.509 10 10 DDCE Oc1cc2c(cc1CN1CCNC[C@@H]1c1cccnc1)OCO2 843115310 HIHTYVBYZIBFLV-CQSZACIVSA-N 313.357 1.662 10 10 DDCE C[C@H]1CN([C@H](C)CNC(=O)NCc2ccccc2O)C[C@@H](C)O1 847302782 QJGXLFGFARRRLN-MCIONIFRSA-N 321.421 1.689 10 10 DDCE Cc1cc(O)c(CN2CC[C@@H](S(C)(=O)=O)C2)c(Cl)c1 840943267 ZQZCVUCCTPRLNI-SNVBAGLBSA-N 303.811 1.973 10 10 DDCE Cc1cc(O)c(CNCCCN2CCNC(=O)C2)c(Cl)c1 848556837 FDJROCJEZUAPSV-UHFFFAOYSA-N 311.813 1.266 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N(C)CC[C@H](C)O)C2)cc1 854299362 HSOMKDSHLMSWGV-UONOGXRCSA-N 321.421 1.686 10 10 DDCE CO[C@@H]1COCC[C@H]1N(C)C(=O)/C=C/c1ccc(O)c(O)c1 921927054 CVIJQRGMSTVWOR-YABQJVKDSA-N 307.346 1.373 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cc(C=O)c[nH]3)C2)cc1 855226737 RCLMSFSNVFHNFH-ZDUSSCGKSA-N 313.357 1.845 10 10 DDCE CCOCCO[C@@H](C)C(=O)NCc1ccc2cccnc2c1O 862027959 LAGXBWNXZSBGFA-LBPRGKRZSA-N 318.373 1.998 10 10 DDCE CN(C)c1ccc(CN2C(=O)N[C@H](c3ccn(C)n3)C2=O)cc1 760950495 RCTOVVZOMQLPCM-CQSZACIVSA-N 313.361 1.279 10 10 DDCE CON1CCC(C(=O)NCc2ccc(N(C)C)cc2C)CC1 865904946 VEWBVHGODCWZHZ-UHFFFAOYSA-N 305.422 1.951 10 10 DDCE Nc1ccc(CCNC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3CN2)cc1 861641827 XEJXFKFNKYUQSR-QMCVQRASSA-N 314.433 1.451 10 10 DDCE COC[C@@H]1C[C@@H](O)CN1Cc1c(O)cccc1Br 862402053 XOOLIGPFUNVEKQ-VHSXEESVSA-N 316.195 1.736 10 10 DDCE C[C@H](NC(=O)NCCCc1cnn(C)n1)c1ccccc1O 868648219 LLQXZBCIGBNDLO-NSHDSACASA-N 303.366 1.514 10 10 DDCE COc1cc(NC(=O)NCCc2ccc(O)c(O)c2)nn1C 775912777 YEAULEWUBCSLSY-UHFFFAOYSA-N 306.322 1.204 10 10 DDCE COc1ccc(O)c(CNC(=O)Nc2cc(OC)n(C)n2)c1 775922504 XPZVONGYUFFHRP-UHFFFAOYSA-N 306.322 1.465 10 10 DDCE CNC(=O)CCOC1CCN(Cc2cccc(OC)c2O)CC1 770287221 WNLXRBISBVKDQC-UHFFFAOYSA-N 322.405 1.518 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N[C@H]2CCCSC2)cc1 136311726 CWYSDWVKWPKJPF-LBPRGKRZSA-N 316.448 1.463 10 10 DDCE NC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)nc1 1180410467 QJLAODSRFCVTAQ-UHFFFAOYSA-N 305.721 1.470 10 10 DDCE CNCc1ccc(N2CCSC[C@@H]2S(C)(=O)=O)c(F)c1 90923203 JSZXOIFYSMTVJO-ZDUSSCGKSA-N 318.439 1.469 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCNC(=O)CC2)cc1 1451799932 LBRKGJARMVMETG-JTQLQIEISA-N 303.322 1.248 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)c1ccnc2[nH]c(O)nc12 1469876130 BLEGUSCEHFVPSU-UHFFFAOYSA-N 318.720 1.953 10 10 DDCE CNCc1ccc(N(C)Cc2ncn(C)n2)c(Br)c1 2121855227 LGEYVQCDGSDAKU-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N(CCO)C1CCSCC1 1618487654 BGKFFOOKOFQDEW-UHFFFAOYSA-N 311.403 1.357 10 10 DDCE CCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1735561217 CGFQOUOVZCEGSK-GHMZBOCLSA-N 323.393 1.522 10 10 DDCE COc1cc(Cl)cc(CN(C)C[C@H]2CNCCO2)c1O 229104627 ZNBPSDUVBNRCIT-GFCCVEGCSA-N 300.786 1.474 10 10 DDCE CC(C)(C)OC(=O)N[C@@]1(c2ccc(O)cc2O)C[C@@H]1C(=O)O 1952766143 WKMVUILCTPJPHH-MEBBXXQBSA-N 309.318 1.922 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CO)CNCc1ccc2c(c1)CCO2 1985857582 UXTJYCMAOUQEJO-CQSZACIVSA-N 322.405 1.597 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@](Oc2ccc(N)cc2)(C(N)=O)C1 1992456708 ZVXVELHYYASVDZ-INIZCTEOSA-N 321.377 1.513 10 10 DDCE CC(C)O[C@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H]1CN=[N+]=[N-] 2179616602 CCYGFIRUZQGISC-WOPDTQHZSA-N 302.400 1.352 10 10 DDCE COCC1(O)CCN(c2cc(Cl)c(CN)cc2F)CC1 2177388536 PYMXDYUJUXGKQU-UHFFFAOYSA-N 302.777 1.916 10 10 DDCE CN(C)c1ccc([C@@H](NN)c2cc(Br)n(C)n2)cc1 2106852704 IYXMFVIPYJQZCI-CYBMUJFWSA-N 324.226 1.801 10 10 DDCE CO[C@H]1CN[C@@](C)(C(=O)NCc2cnc(SC)s2)C1 2269202369 RXOKPYIZVIMZRI-PRHODGIISA-N 301.437 1.248 10 10 DDCE CC[C@@H](N)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1 2206707113 XAFNWIHBMWFPHC-GFCCVEGCSA-N 304.362 1.922 10 10 DDCE CCN(Cc1c(Br)ccc(OC)c1O)C1CNC1 2220453265 YROQZOUNMLOKQH-UHFFFAOYSA-N 315.211 1.957 10 10 DDCE CCOC(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2234166001 IVSMXFNQGHIFDS-VHSXEESVSA-N 304.372 1.481 10 10 DDCE COc1cc(OC)c(N2C[C@H](O)C[C@@H](OC)C2)cc1Cl 2285876218 XIEJTQNMLLIPQG-NXEZZACHSA-N 301.770 1.943 10 10 DDCE CCCn1c(O)nnc1Sc1ncc(C(=N)NO)s1 2278775575 QHIZZWKGAGSKRR-UHFFFAOYSA-N 300.369 1.306 10 10 DDCE CC[C@H](C)N1C(=O)C[C@@H](NCc2cnc(SC)s2)C1=O 2284696261 BFMJMUPJUXLOEF-WCBMZHEXSA-N 313.448 1.881 10 10 DDCE Cc1ccc(CN(C)C[C@@H](N)C(=O)O)c(O)c1Br 2327594886 PQMNLQACXMJOGR-SECBINFHSA-N 317.183 1.307 10 10 DDCE O=C(CCNCc1cc(Br)ccc1O)NC1CC1 227441501 JIJHSPJGYNWIEF-UHFFFAOYSA-N 313.195 1.913 10 10 DDCE CC(C)N(Cc1ccc(N)cc1)S(=O)(=O)c1cnn(C)c1 50252713 NHYYXEQZNLDWIZ-UHFFFAOYSA-N 308.407 1.602 10 10 DDCE CO[C@H]1C[C@@H](CO)N(c2ccc(CN)c(Br)c2)C1 311133297 RKXKZJDEOKCFRH-RYUDHWBXSA-N 315.211 1.494 10 10 DDCE C[C@@H](CCN1CCN(C)CC1)NCc1ccc2c(c1)CCN2C 185868354 UGNATGROPJOPLL-INIZCTEOSA-N 316.493 1.795 10 10 DDCE NC1CCN(c2ccc(O[C@@H]3CCS(=O)(=O)C3)cc2)CC1 43470932 ZOYJQIZASUFMQN-OAHLLOKOSA-N 310.419 1.180 10 10 DDCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1cnn(C)c1 42759002 GMQUUAVWAZRHDI-UHFFFAOYSA-N 323.356 1.956 10 10 DDCE Cc1cc(Br)cc(CNCC[S@](C)=O)c1O 133246449 QMZXMOLYFKOTCF-MRXNPFEDSA-N 306.225 1.931 10 10 DDCE COc1cc(N(C)C[C@@H](O)COC(C)C)cc(OC)c1OC 265985640 DAWFRIKVWQQRQU-CYBMUJFWSA-N 313.394 1.935 10 10 DDCE NCc1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)s1 722225034 GTZRWHZJROEJDB-UHFFFAOYSA-N 302.352 1.852 10 10 DDCE OC[C@H](CNCc1cc(Cl)c(F)cc1O)[C@H]1CCOC1 294823168 XRLIKBFJUGJGDE-ONGXEEELSA-N 303.761 1.919 10 10 DDCE CC[C@@H]1CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CCS1 846246004 CNHCZXLNUWDMCR-SNVBAGLBSA-N 322.390 1.461 10 10 DDCE COc1cccc(CNC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)c1O 740082751 UREFWQIJLCXNGP-YHWZYXNKSA-N 319.357 1.259 10 10 DDCE Fc1cc(CN[C@H]2CCCCNC2)ccc1N1CCOCC1 841091411 XLKNHJBOYOXSKI-HNNXBMFYSA-N 307.413 1.894 10 10 DDCE C[C@@H]1C[C@@H](C)CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1 846230162 CXBYGCFFPXZXOG-NXEZZACHSA-N 304.350 1.611 10 10 DDCE CC[C@H](NCC[C@@H]1CNCCS1(=O)=O)c1ccccc1O 925791108 FFMVFAGUSPSJGA-OCCSQVGLSA-N 312.435 1.210 10 10 DDCE CN1CCN(c2ccc(CNCC34CC(CN3)C4)cc2)CC1 853246703 QHXKMWOQQJGJPW-UHFFFAOYSA-N 300.450 1.280 10 10 DDCE Nc1ccc(CCNC(=O)N2CCC3=C(CCC(=O)N3)C2)cc1 851663237 WOKFIROXMLRIFQ-UHFFFAOYSA-N 314.389 1.391 10 10 DDCE CN1C[C@H](Cc2ccc(N)cc2)N(C(=O)OC(C)(C)C)CC1=O 1952758360 YOWOSFSRXYGPHY-AWEZNQCLSA-N 319.405 1.889 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](NCc2cccc(O)c2O)[C@H](O)C1 1896045166 FYMWDDUSPXMXNT-WCQYABFASA-N 324.377 1.168 10 10 DDCE O=C(O)[C@H](C(=O)NCCCSc1nccs1)C1CC1 852944962 UESSQJNJJVIQED-VIFPVBQESA-N 300.405 1.852 10 10 DDCE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1cccc(O)c1O 862997991 SYHIJADBFSBYKB-PWSUYJOCSA-N 323.345 1.186 10 10 DDCE C[C@H](NC(=O)NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccccc1O 868755479 HPTFLOXOXHWZTG-CMPLNLGQSA-N 319.361 1.736 10 10 DDCE CC(C)(C)n1cc(C(=O)C(=O)NCc2ccc(O)c(O)c2)cn1 778920063 VAUNOYCQUSBGKM-UHFFFAOYSA-N 317.345 1.548 10 10 DDCE COc1cnc(NCc2ccc(N3CCN(C)CC3)cc2)nc1 788868109 WKQIQNOPNIDDRO-UHFFFAOYSA-N 313.405 1.849 10 10 DDCE CC[C@H](C)[C@H](NC(=O)CC1C(=O)c2ccccc2C1=O)C(=O)O 100435286 RQIJGAQBRNHVEB-XPTSAGLGSA-N 317.341 1.687 10 10 DDCE OCCOCC1(O)CCN(Cc2c(O)cccc2Cl)CC1 895827868 QGCOPMFHKSOQKR-UHFFFAOYSA-N 315.797 1.381 10 10 DDCE CN(C)C(=O)N(C)[C@H]1CCN(Cc2cc(F)cc(F)c2O)C1 895332379 KDUCBMNYIQECLG-LBPRGKRZSA-N 313.348 1.858 10 10 DDCE COC(C)(C)CS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 798224218 DUYXTDIDSHLQEN-UHFFFAOYSA-N 314.451 1.939 10 10 DDCE COc1ccc(O)c(CNC(=O)C(C)(C)n2cnc(C)c2)c1 896360795 HANYZTVLFPGWIB-UHFFFAOYSA-N 303.362 1.957 10 10 DDCE Cc1cnn(C)c1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 795346505 AUBQSRRCCYWUPK-UHFFFAOYSA-N 312.307 1.143 10 10 DDCE CN1C[C@H]2CN(c3ccc(CN)cc3Br)C[C@H]2C1 706854978 GLSFIRLHMMIMRT-TXEJJXNPSA-N 310.239 1.906 10 10 DDCE CC(C)[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)C1CC1 1327856941 ZVNDPXNKQUIQSH-INIZCTEOSA-N 317.433 1.920 10 10 DDCE Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cccc(O)c2O)n1 1176577037 ZAGUKNCWXBDACZ-UHFFFAOYSA-N 303.274 1.639 10 10 DDCE CS(=O)(=O)N[C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 1337042695 RIRYOYZOKATIAH-HNNXBMFYSA-N 323.462 1.410 10 10 DDCE C[C@@H]1CCCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1351907143 FQDYXWDIIZXFKK-GFCCVEGCSA-N 302.374 1.883 10 10 DDCE COc1cc(S(=O)(=O)N2CC[C@H](CN=[N+]=[N-])C2)sn1 1912199934 ZONKMZWUNIQQBK-SSDOTTSWSA-N 303.369 1.473 10 10 DDCE CC(C)CS(=O)(=O)CCC(=O)NCc1ccc(O)cc1O 1299569028 ALEAATRVUVBOPO-UHFFFAOYSA-N 315.391 1.175 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@@H]2C[C@@H](C)CO2)cc1C 1493634547 GOOMUGVIJFZQRI-DYVFJYSZSA-N 320.433 1.977 10 10 DDCE CCOC(=O)c1cnc(NC(=O)c2c(F)ccc(O)c2O)[nH]1 1641556648 KQOITCYYTAEKNJ-UHFFFAOYSA-N 309.253 1.389 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cc([N+](=O)[O-])cnc2O)c1 1651154445 OMEJSLALBMUNAL-UHFFFAOYSA-N 303.274 1.639 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N3CCC[C@](C)(O)C3)c(Cl)cc21 163265139 LCWSLWQRRRBMJV-ZFWWWQNUSA-N 309.797 1.904 10 10 DDCE O=C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1 155664503 VTBVVZRFIGKIJR-UHFFFAOYSA-N 314.389 1.094 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)CCN=[N+]=[N-] 1885563413 UIQGZWDZPROJDS-IUCAKERBSA-N 301.347 1.029 10 10 DDCE CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NCCN=[N+]=[N-])c21 1965102196 MLRHREOUYVNTSI-UHFFFAOYSA-N 321.341 1.678 10 10 DDCE C[C@H](CS(=O)(=O)N(C)C)N[C@H](C)c1c(O)cccc1O 2151097712 HSSORFXHCJIBPE-NXEZZACHSA-N 302.396 1.028 10 10 DDCE Oc1cccc(Br)c1CN[C@@H]1CO[C@H]2COC[C@@H]12 2040332843 DFJKLZZVFLMUAM-NDMJEZRESA-N 314.179 1.658 10 10 DDCE CS(=O)(=O)[C@H]1CCC[C@](NCCCN=[N+]=[N-])(C(=O)O)C1 2160826752 ZMMTXLNYJZBJIU-GXSJLCMTSA-N 304.372 1.087 10 10 DDCE CC(C)[C@H](NCc1c(O)cccc1Br)C(N)=O 706855740 MWZHHJYKLRYZFF-NSHDSACASA-N 301.184 1.754 10 10 DDCE C[C@@H](O)c1ccc(N(C)[C@@H]2COC[C@H]2O)cc1Br 708618253 KGLMHMKYLYJNFW-BZHVJNSISA-N 316.195 1.698 10 10 DDCE CNC(=O)c1cnn(Cc2cc(Br)ccc2O)c1 2069922381 QANRHKMQLOLLJZ-UHFFFAOYSA-N 310.151 1.759 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1c1ccc2c(c1)CC[C@H]2O 2184733736 KTJGOKITJUASFT-KGLIPLIRSA-N 313.444 1.590 10 10 DDCE CN(Cc1ccc(Br)cc1O)C[C@@H]1COCCN1 2042376775 ZKCPRVGCYGZDTO-GFCCVEGCSA-N 315.211 1.575 10 10 DDCE C[C@H](O)c1cnc(Sc2nnnn2CC(F)(F)F)s1 2225655544 GBQZDXZJFJPTEY-BYPYZUCNSA-N 311.314 1.896 10 10 DDCE COc1ccc(N2CCSC[C@H]2S(C)(=O)=O)c(C=O)c1 2235996414 DDRYKHZFIXYHBC-CYBMUJFWSA-N 315.416 1.432 10 10 DDCE COc1ccc(N(CCCN)C[C@@H](O)P(C)(C)=O)cc1 2237211546 UMJFMEVSPXGGPL-AWEZNQCLSA-N 300.339 1.792 10 10 DDCE NCc1ccc(N2CC[C@H](O)[C@H](O)CC2)c(Br)c1 2256980277 RIHTWTGUZHHVGH-BETUJISGSA-N 315.211 1.230 10 10 DDCE Cc1ccc(CNC(=O)C[C@@H]2CCN2)c(O)c1Br 2327792337 ISVATFACRBRAHC-JTQLQIEISA-N 313.195 1.831 10 10 DDCE Nc1ccc(NC(=O)CCCSc2nccc(=O)[nH]2)cc1 20483875 PXOCUSAYJWTCAG-UHFFFAOYSA-N 304.375 1.863 10 10 DDCE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cc([N+](=O)[O-])ccc1O 173396230 USILYRVLQHSLIE-NXEZZACHSA-N 316.379 1.554 10 10 DDCE Cc1ncc(CO)c([C@@H]2NCCc3cc(O)c(O)cc32)c1O 31490099 XGMGYAMJDYPOES-OAHLLOKOSA-N 302.330 1.234 10 10 DDCE Nc1ccc(OCCNS(=O)(=O)c2ccccc2F)cc1 38079608 LWULQQKIRPXEQW-UHFFFAOYSA-N 310.350 1.765 10 10 DDCE CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCN1C[C@@H](C)O 182520727 GFSQBSOSLZZKAM-OLZOCXBDSA-N 322.405 1.323 10 10 DDCE C[C@]1(C(=O)O)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 320585478 UJIYPNSNXPFYSR-AWEZNQCLSA-N 321.289 1.227 10 10 DDCE CNCc1ccc(N2CC[C@@H](S(=O)(=O)C(F)F)C2)cc1 2368713208 NMVZOWVEJCFGCB-GFCCVEGCSA-N 304.362 1.622 10 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918745112 CRLCUWDPHFCNDZ-NSHDSACASA-N 321.377 1.068 10 10 DDCE O=C(NCc1nc2c(s1)COCC2)NCc1ccccc1O 915524225 CUGYVWWTLOWRNE-UHFFFAOYSA-N 319.386 1.921 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)c1cc(O)nc(O)c1 1952310257 ZYOJEBRDWQFVCB-VIFPVBQESA-N 312.322 1.923 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 845445743 LNSOHFJAMJTEIZ-BETUJISGSA-N 305.378 1.578 10 10 DDCE C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@](C)(C(F)F)O1 856482474 LXBPZNHHPIWAJH-CLAHSXSESA-N 301.289 1.983 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NCc2ccc(O)c(O)c2)C1 1896039996 WTRNRTFSVHEEBK-BXUZGUMPSA-N 324.377 1.168 10 10 DDCE COC(=O)C[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 855909703 MBNOZBVHCMQFAI-RBWDJNPFSA-N 319.357 1.817 10 10 DDCE C[C@H]1CC[C@H](NCc2cc3c(cc2O)OCO3)CS1(=O)=O 850368038 HRIXLNMDMGKJQU-ONGXEEELSA-N 313.375 1.176 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CSCC(C)=O)C2)cc1 855224406 KLFXOHNEQYHWOB-ZDUSSCGKSA-N 322.430 1.712 10 10 DDCE OC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C1CCC1 850349469 FRXKLMOBJFFKAY-MRXNPFEDSA-N 308.397 1.913 10 10 DDCE COc1ncnc(OC)c1C(=O)N1Cc2cccc(O)c2C1 871203290 WMXNDPYUXRFBBF-UHFFFAOYSA-N 301.302 1.355 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNCCCN2CCCC2=O)c1O 774941821 FDGJNYMCICNUPX-UHFFFAOYSA-N 323.349 1.411 10 10 DDCE C[C@@H]1CO[C@@H](C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 893608187 RVPCRLVOKGXNTG-WMLDXEAASA-N 317.433 1.480 10 10 DDCE COc1cc(C)cc(CNC[C@@H]2CCCCN2CCO)c1O 894874794 QJLMQKXSNFYSLD-HNNXBMFYSA-N 308.422 1.646 10 10 DDCE NC(=O)c1cccc(N)c1NC1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 398322836 ASMMCKPSHWIILJ-HUUCEWRRSA-N 322.412 1.910 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2[nH]nnc2C)cc1C 1317255917 KLHWGJILAFPSPY-NSHDSACASA-N 317.393 1.338 10 10 DDCE C[C@H]1C[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 1327970945 IGFFLRKQAACLPH-CMPLNLGQSA-N 307.369 1.280 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 1912161868 OIGFRSBIBYYEHO-MNOVXSKESA-N 300.384 1.503 10 10 DDCE CS(=O)(=O)N1CCC[C@H](CN2CC[C@H](CN=[N+]=[N-])C2)C1 1912167693 NUGXSABKVQRSFQ-VXGBXAGGSA-N 301.416 1.290 10 10 DDCE C[C@H](N)c1ccc(N2CC(C)(C(N)=O)C2)c(Br)c1 1914211812 ICYGAMVKKOTRFK-QMMMGPOBSA-N 312.211 1.780 10 10 DDCE COC(=O)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C 1542531655 JQFOMRMNGXFMMK-LLVKDONJSA-N 306.322 1.776 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(O)[C@H](N)c1ccccc1O 1919779626 AEDJDZJZYOSZPG-IOASZLSFSA-N 324.377 1.047 10 10 DDCE O[C@@H]1COC[C@@H]1NC1CCN(c2ccc3c(c2)CCC3)CC1 1616096390 LRTJFGVQQYWZDU-ZWKOTPCHSA-N 302.418 1.493 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)[C@H](C)CC(N)=O)cc1C 1715990055 PXCMACXPTROAJX-OLZOCXBDSA-N 321.421 1.109 10 10 DDCE CC[C@@H](C)C(=O)NC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1720897395 QEZDKPYLYUQTGO-GHMZBOCLSA-N 323.393 1.379 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])c(O)c1 1635958919 DANAGRYGEMTERL-UHFFFAOYSA-N 304.258 1.642 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC(F)(F)Br 1640249892 VDQZMFQYAANDFC-UHFFFAOYSA-N 310.094 1.744 10 10 DDCE CCCC(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1579296131 XOEBUQKJBADKPO-SNVBAGLBSA-N 319.365 1.884 10 10 DDCE COc1ccc(CNC/C=C/CNC(=O)[C@H]2CCOC2)cc1C 1668737980 DQKXGQPZIICMEH-CWDCEQMOSA-N 318.417 1.802 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)NCc1ccc(N)cc1 230810131 ZYKWUBDIRPQZTK-UHFFFAOYSA-N 300.771 1.134 10 10 DDCE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043219 OEYDOBXSZCUHTG-PRULPYPASA-N 310.394 1.507 10 10 DDCE C[C@@H](CCNC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043228 OKWXOSHVUZBBML-SRVKXCTJSA-N 312.410 1.803 10 10 DDCE CCc1cccnc1CNS(=O)(=O)Cc1ccc(N)cc1 157980648 UJLUYXRZTONTPM-UHFFFAOYSA-N 305.403 1.846 10 10 DDCE CC[C@@H](N)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 1865949976 WORJKKALUVHSTI-CABCVRRESA-N 315.421 1.429 10 10 DDCE CN(C)c1ncc(/C=C/C(=O)N2CCOc3ccccc32)cn1 1866371371 BYVOMWXEMIQRRH-BQYQJAHWSA-N 310.357 1.981 10 10 DDCE CC(C)(C)OC(=O)NCCSCC(=O)N1CC(N=[N+]=[N-])C1 1885557552 QRNUHPWZZWTFPJ-UHFFFAOYSA-N 315.399 1.765 10 10 DDCE CC[C@@H](NCCCS(=O)(=O)N(C)C)c1ccccc1O 1969538239 JKLLNZRLNUHZPD-CYBMUJFWSA-N 300.424 1.714 10 10 DDCE CC(C)(C)OC(=O)N1CC(ONC(=O)Nc2ccc(N)cc2)C1 1984436671 AGBDCLLGQKMBMF-UHFFFAOYSA-N 322.365 1.941 10 10 DDCE CCNCc1ccc(N(C)[C@H]2CCS(=O)(=O)C2)c(F)c1 36870454 BUWHGRURPASADN-LBPRGKRZSA-N 300.399 1.559 10 10 DDCE NC1[C@@H]2CN(Cc3cc(Br)cc(F)c3O)C[C@@H]12 2000282226 UTPCGDVMTYXYJC-RKDXNWHRSA-N 301.159 1.683 10 10 DDCE COc1cc(Cl)cc(CN2CCC[C@](O)(CN)C2)c1O 2157528183 HSYLUNUONQESCI-AWEZNQCLSA-N 300.786 1.340 10 10 DDCE O=S(=O)(NCc1ccccc1O)c1ccc(CCO)s1 2157771080 YPOXDOOQWSTNOS-UHFFFAOYSA-N 313.400 1.467 10 10 DDCE O=S1(=O)C=C[C@@H](NCc2ccc(Br)cc2O)C1 691439009 ADPZVNZMBHUJCX-SNVBAGLBSA-N 318.192 1.555 10 10 DDCE O=S(=O)(C[C@@H]1N[C@H]2CC[C@H]1C2)Nc1ccc(O)c(Cl)c1 2178691847 PLSDNAMLEDSVKI-AUTRQRHGSA-N 316.810 1.928 10 10 DDCE O=C(N[C@H]1CCCC2(CC1)OCCO2)c1cc(O)c(O)c(O)c1 2188920105 SIKLDRWQZLSCOF-NSHDSACASA-N 323.345 1.609 10 10 DDCE Cn1nnc(Br)c1C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2218743796 KIRQLIHFNOYMCY-PHDIDXHHSA-N 314.147 1.539 10 10 DDCE CSc1ncc(CN[C@@H](C)[C@H]2CCS(=O)(=O)C2)s1 2257105104 WMMQFLIDVIZJQG-IUCAKERBSA-N 306.478 1.778 10 10 DDCE COC(=O)N[C@@H](C)CNCc1ccc(Br)cc1O 2261515078 UNPPFIUOVWLBCU-QMMMGPOBSA-N 317.183 1.989 10 10 DDCE Cc1cccc(CNCc2nc(Br)nn2C)c1O 2328492523 GJXGOMJXHKRFPB-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE Nc1cc(Cl)c(N2C(=O)[C@@H]3COC[C@H]3C2=O)c(Cl)c1 2340240641 DFMROMIWIRFXFH-RNFRBKRXSA-N 301.129 1.711 10 10 DDCE CSc1ncc(CN[C@@](C)(C(=O)O)[C@]2(C)CCN2)s1 2350348942 UMBUTSMNWWLHBO-RYUDHWBXSA-N 301.437 1.550 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)COCC[C@H]2C)s1 2350651710 DEYLVHGDOOQJAF-PELKAZGASA-N 302.421 1.834 10 10 DDCE Cc1cc(O)c(O)cc1CCNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 170197152 BEODOHWJDCUDGM-CYBMUJFWSA-N 320.389 1.322 10 10 DDCE CO[C@@H](CCS(C)(=O)=O)CNCc1c(C)cccc1O 2364228253 KMTNXYVVSOFLRN-LBPRGKRZSA-N 301.408 1.240 10 10 DDCE CC(=O)N[C@H]1CCN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 228283296 IYIWYSIQZFBVAB-ISVAXAHUSA-N 308.769 1.007 10 10 DDCE COc1cc(Cl)cc(CN2CCN3CCOC[C@@H]3C2)c1O 363929179 PKLXYANJUDYQTH-ZDUSSCGKSA-N 312.797 1.571 10 10 DDCE CC(=O)C(=O)COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 808534933 WXXHCZCGJSRMQA-UHFFFAOYSA-N 301.201 1.388 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 808494148 WBJXCSLZECAIEI-NSHDSACASA-N 301.339 1.237 10 10 DDCE CCN1CC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1=O 801799490 DNTXEVFKJZSBMI-OAHLLOKOSA-N 318.421 1.515 10 10 DDCE CO[C@]1(CN[C@@H](C)c2cc(C)ccc2O)CCS(=O)(=O)C1 903366389 UOCISZAQRSAQKP-WFASDCNBSA-N 313.419 1.555 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCN3C(=O)NC[C@@H]3C2)cc1 835030562 ZKCZNAZCXOBYEC-QDLOVBKTSA-N 300.406 1.475 10 10 DDCE CN(Cc1ccccc1O)Cc1cnnn1[C@H]1CCCNC1 903884532 BYCSCSSGXSKEOI-AWEZNQCLSA-N 301.394 1.540 10 10 DDCE CN(C)c1ccc(CN(C)c2nc(N)nc(Cl)c2N)cc1 911646879 FEIIDCFHJPBUHM-UHFFFAOYSA-N 306.801 1.997 10 10 DDCE C[C@H](NC(=O)Cc1ccon1)c1ccc(N2CCOCC2)cc1 746168347 OCIGRALVSBGQSB-ZDUSSCGKSA-N 315.373 1.931 10 10 DDCE CCc1cccc(CN[C@@H](C(=O)OC)c2ccnn2C)c1O 848920114 XNYZNAFKYFNZAX-CQSZACIVSA-N 303.362 1.692 10 10 DDCE COCCN1CCN(Cc2cc(OC)ccc2O)C(C)(C)C1 846103488 ZANZUFHGWGNNDS-UHFFFAOYSA-N 308.422 1.943 10 10 DDCE CC(C)(CNC(=O)C(=O)Nc1ccc(N)cc1)[C@@H]1CCCCO1 841068927 KLZBFVGJLPHJOQ-AWEZNQCLSA-N 319.405 1.919 10 10 DDCE CCn1nnc(CNCc2cc(Cl)cc(Cl)c2O)n1 1893034964 WVBAAGUIVTVIGL-UHFFFAOYSA-N 302.165 1.995 10 10 DDCE COC(=O)[C@@H](NCc1cc(C)c(C)cc1O)c1ccnn1C 843429608 HTQIBTUEKUAKHQ-HNNXBMFYSA-N 303.362 1.746 10 10 DDCE Cc1nnc(CCNC(=O)NCc2c(O)cccc2F)s1 922510908 GXSQPVPZPOTVBT-UHFFFAOYSA-N 310.354 1.733 10 10 DDCE O=C(c1cccc(O)c1O)N1C[C@H](O)C[C@H]1[C@H]1CCCOC1 857279580 ASLSPYYCCDPFQI-LOWVWBTDSA-N 307.346 1.100 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 926950296 UBRXXWPUFMBDIY-GXCBOPRBSA-N 321.373 1.633 10 10 DDCE CCS(=O)(=O)C1(CNCc2ccc(N(C)C)c(F)c2)CC1 850397461 FBFHJJGJBNHHRK-UHFFFAOYSA-N 314.426 1.949 10 10 DDCE COc1ccc(CNC(=O)N[C@@H]2CO[C@H](C3CC3)C2)c(O)c1 858909866 YTNDTXQVBRVDQJ-WFASDCNBSA-N 306.362 1.768 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc([C@H](N)[C@@H](O)C(=O)O)c(O)c1 1952564755 OELVVICWCIHYTR-WDEREUQCSA-N 312.322 1.185 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cnc(O)n3C)C2)cc1 869228961 QJRYAIHMFRFDSD-LLVKDONJSA-N 316.361 1.143 10 10 DDCE C[C@H](NS(=O)(=O)N=S1(=O)CCCC1)c1ccccc1O 867836471 UNQSNDATWZGEJT-JTQLQIEISA-N 318.420 1.549 10 10 DDCE CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cnc2n1CCC2 783532717 MZPZDUFBUJIAGE-UHFFFAOYSA-N 321.358 1.538 10 10 DDCE CC(=O)c1cn(C2CN(Cc3cccc(Cl)c3O)C2)nn1 897938377 GCJCVHNGKROTEY-UHFFFAOYSA-N 306.753 1.897 10 10 DDCE Nc1ccc(OC[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1 390709937 WJMJTVJLPINPCW-LBPRGKRZSA-N 312.325 1.305 10 10 DDCE CS(=O)(=O)CCCOC(=O)CCOc1ccc(N)cc1 63017663 YRZKUGLPDHJVLW-UHFFFAOYSA-N 301.364 1.016 10 10 DDCE NC(=O)CCOc1ccccc1NC(=O)c1cc(O)cs1 1141803720 MJHKUGPRXKJOGN-UHFFFAOYSA-N 306.343 1.960 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cn(Cc2ccccc2)nn1 1162279011 QMLZGXDGKBESKI-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)Nc2cnc3c(c2)CNC3=O)cc1 1180480992 QELHOMWDCHWDSQ-UHFFFAOYSA-N 324.300 1.740 10 10 DDCE CS(=O)(=O)N1CCC(CN2CC[C@H](CN=[N+]=[N-])C2)CC1 1912162844 BCJNMCHKVIMTTF-GFCCVEGCSA-N 301.416 1.290 10 10 DDCE [N-]=[N+]=NC1CN([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)C1 1912185338 OKWFEULVQYQWAI-UONOGXRCSA-N 317.349 1.363 10 10 DDCE COc1ccc(CNC[C@H](O)CN(C)C(=O)C(C)C)cc1C 1284385238 GFNKDHNJCVBVPY-HNNXBMFYSA-N 308.422 1.569 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cnn(-c2ccncc2)c1 1455356325 XYHWONIHVJWDGO-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(=O)c(OC)c[nH]1 1467839813 FKPBAEFOBAAVOC-UHFFFAOYSA-N 323.345 1.505 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccnn1CC(F)(F)F 1471661649 WMBXHXRVZGJFBZ-UHFFFAOYSA-N 315.251 1.787 10 10 DDCE NC(=O)CN(CC(=O)O)Cc1cc(Cl)cc(Cl)c1O 2136345983 IEAPUPCBEQOHPQ-UHFFFAOYSA-N 307.133 1.071 10 10 DDCE C[C@@H](C[C@H](O)c1ccco1)NC(=O)Cc1ccc(O)c(O)c1 1622058205 JPZUEPGQZYZXCA-HZMBPMFUSA-N 305.330 1.862 10 10 DDCE COc1c[nH]c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1=O 1638347384 HBUNJCBRMFLEKM-SECBINFHSA-N 318.329 1.156 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)C2=COCCO2)cc1C 1569044312 RVGHGNJCMFNYPU-ZDUSSCGKSA-N 320.389 1.486 10 10 DDCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nnc2ccccn12 1588187532 SFJQRBZJJJGFLK-SNVBAGLBSA-N 312.329 1.560 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2[C@H](CO)CC[C@H]2CO)c1O 1659185720 PJEYZKMIKIOWGR-STQMWFEESA-N 313.781 1.566 10 10 DDCE COC(=O)[C@@H]1C[C@H]2CCC[C@H]2N1C(=O)Cc1ccc(N)cc1 1866324326 UEHLAKCWMQYNSB-YUELXQCFSA-N 302.374 1.754 10 10 DDCE NCc1cc(F)c(N2CC[C@@H]2C(N)=O)cc1Br 1941843431 BTIIFCZQSUYARC-SECBINFHSA-N 302.147 1.111 10 10 DDCE CCc1cccc(CN[C@@H](CO)CNC(=O)OC(C)(C)C)c1O 1876258000 ZTLVVXLSXACHSQ-CQSZACIVSA-N 324.421 1.930 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NC(=O)c1cccc(O)c1O 1986693123 CGSRUKIVTXNJSA-QWRGUYRKSA-N 322.361 1.883 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1[C@H]2CS(=O)(=O)C[C@H]21 2006186834 UOHLQJFTAHQMBI-MTBHXBHISA-N 317.208 1.486 10 10 DDCE COC[C@]1(O)CCN(c2ccc(CO)c(Br)c2)C1 2034301971 SGYMNHIVPMWJMA-ZDUSSCGKSA-N 316.195 1.529 10 10 DDCE O=S1(=O)CCCCN1CCNCc1cccc(Cl)c1O 405492724 OZYHKNIJEFMNIA-UHFFFAOYSA-N 318.826 1.561 10 10 DDCE C[C@@H](F)CS(=O)(=O)N1CCN(c2ccc(N)cc2)CC1 2177553717 JDMMQIRNFROPSW-LLVKDONJSA-N 301.387 1.079 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@](O)(CO)C1 2063556330 ZPOSWYYYRNKKFJ-MRXNPFEDSA-N 320.414 1.725 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCC[C@]3(C)CC3(F)F)c2n1 2065107916 BNSILQWYBVONBB-CYBMUJFWSA-N 310.304 1.909 10 10 DDCE CCc1cc(C(=O)N(C)C)n(Cc2cc(OC)ccc2O)n1 2070081073 PXYSTMJVJSETNM-UHFFFAOYSA-N 303.362 1.910 10 10 DDCE CO[C@@H]1C[C@H](O)CN(c2ccc(CN)cc2Br)C1 2046671610 SIJMTYGTXYKHBY-WDEREUQCSA-N 315.211 1.494 10 10 DDCE Oc1cccc(Br)c1CN1C[C@H](O)CC12CNC2 2066532103 BJBKSXJXZPGTDS-SECBINFHSA-N 313.195 1.063 10 10 DDCE C[C@H]1CNC[C@H]1CS(=O)(=O)Nc1ccc(O)c(Cl)c1 2087407053 BGNUGFWWLHADME-IUCAKERBSA-N 304.799 1.643 10 10 DDCE CNCc1ccc(N2CC(=O)N[C@@H]3CC[C@@H]32)cc1Br 2112061856 NNEQUCTZURDAHE-OLZOCXBDSA-N 324.222 1.636 10 10 DDCE O=S(=O)(Nc1ccc(O)c(F)c1)[C@@H]1CNC2(CCC2)C1 2239355496 QJWPNDSRTKLKNQ-JTQLQIEISA-N 300.355 1.558 10 10 DDCE CSc1ncc(CNc2cc(-n3cncn3)ncn2)s1 2284501729 UNAJAWXFCHPAAJ-UHFFFAOYSA-N 305.392 1.848 10 10 DDCE [N-]=[N+]=NCC1CCN(S(=O)(=O)C2CC3(C2)OCCO3)CC1 2263523749 UHSGOMBEAGECSV-UHFFFAOYSA-N 316.383 1.244 10 10 DDCE CC[C@@H](NCc1ccc(C)c(Br)c1O)C(N)=O 2307476279 ZLXKVAHZXZEBGK-SECBINFHSA-N 301.184 1.817 10 10 DDCE CN(C)c1ccc([C@@H](C(=O)N2CCCC2)N2CCNCC2)cc1 107901379 BYCUUPARIJVUQT-KRWDZBQOSA-N 316.449 1.321 10 10 DDCE Cc1nc(=N)[nH]c(=NCc2ccc(C)c(Br)c2O)[nH]1 2352944245 FLNNNVDOEDRLPB-UHFFFAOYSA-N 324.182 1.403 10 10 DDCE COC(=O)CCC(=O)N1CCN(c2ccc(OC)cc2)CC1 57635725 AFZXSHOBTNHOEK-UHFFFAOYSA-N 306.362 1.297 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@@H]2CCCn3ncnc32)c1 176519141 MEXUWLCDFQICCL-GFCCVEGCSA-N 317.349 1.327 10 10 DDCE COc1ccc(CN2CCN(c3cccnn3)CC2)c(O)c1 128006133 XXIBTVWHCPXYGK-UHFFFAOYSA-N 300.362 1.513 10 10 DDCE Cc1nc(CN2CCCN(Cc3cc(F)ccc3O)CC2)no1 183255576 UQDRNKNMLYKNLY-UHFFFAOYSA-N 320.368 1.931 10 10 DDCE CO[C@H](CCS(C)(=O)=O)CNCc1ccc(F)cc1O 2364093903 YGXKCQGPRAAFQB-GFCCVEGCSA-N 305.371 1.071 10 10 DDCE CN(Cc1cccc(O)c1)S(=O)(=O)Cc1ccc(N)cc1 40335460 RYXCTTZLBOTTTR-UHFFFAOYSA-N 306.387 1.936 10 10 DDCE C[C@@H]1C[C@@H]1N1C[C@@H](NCc2ccc(N(C)C)c(F)c2)CC1=O 363414548 OMIBMUWKKGXBBZ-FFSVYQOJSA-N 305.397 1.991 10 10 DDCE CC(=O)C(=O)COC(=O)c1nn(-c2cccc(Cl)c2)cc1O 808547822 UJLQIATZNWDNBN-UHFFFAOYSA-N 322.704 1.546 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H]1CNCc1ccc(O)c(O)c1O 724920830 IOZUZHBZYGGEDI-LLVKDONJSA-N 324.377 1.902 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@H]3COC[C@]3(C)C2)c1O 827281218 IRSFXJNVKUDMMQ-NHYWBVRUSA-N 308.334 1.777 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1CN(C2CC2)C(=O)O1 845135208 AQDIJPWYECSBIQ-RDNKVPPGSA-N 319.313 1.637 10 10 DDCE COC[C@H]1C(=O)N[C@@H](c2cc(Br)ccc2O)N1C 840828393 IPKLXIUPUWANEW-GXSJLCMTSA-N 315.167 1.230 10 10 DDCE CCn1nc2c(cc1=O)CN(C(=O)c1cc(O)cs1)CC2 752816852 ZDIJFMHDSRDDIQ-UHFFFAOYSA-N 305.359 1.229 10 10 DDCE CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCN(C)C1 853244851 QBVWHAYLZVUVAA-MRXNPFEDSA-N 304.438 1.988 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CCOC[C@@H]3C)C2)cc1 852448760 MHJJKVAIAZOZAJ-UONOGXRCSA-N 319.405 1.704 10 10 DDCE C[C@H]1CN(C)C[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 756100693 MTPPYJSNHCEAKM-BBRMVZONSA-N 307.413 1.702 10 10 DDCE C[C@@H](O)CN1CCN(Cc2cc(F)c(N(C)C)cc2F)CC1 862238593 BKRKZFXWFANDCA-GFCCVEGCSA-N 313.392 1.529 10 10 DDCE CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCN(C2CC2)C1 779516723 HAWSGNJBMQMEHK-RRFAQUSLSA-N 302.374 1.806 10 10 DDCE CCN[C@@H](C)c1ccc(N(C)CCS(C)(=O)=O)c(F)c1 94298843 UWHPALUGWWTOEB-NSHDSACASA-N 302.415 1.977 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(c2ncon2)CC1 1178363027 JJUXIBZYIFCCDT-UHFFFAOYSA-N 303.318 1.430 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H](S(C)(=O)=O)C2)cc1Cl 2123343793 XGXMRXCFFXMTTR-ONGXEEELSA-N 302.827 1.983 10 10 DDCE Cc1sc(C(N)=O)cc1NC(=O)c1c(F)ccc(O)c1O 1457702787 LNSRFCQALGCKBP-UHFFFAOYSA-N 310.306 1.958 10 10 DDCE Cc1nc(CCNS(=O)(=O)Cc2ccc(N)cc2)cs1 226245165 VDZNWJIYNSRXJS-UHFFFAOYSA-N 311.432 1.696 10 10 DDCE O=C(c1cccc(O)c1O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 1631915260 QQGOEBYONGFLGK-HUUCEWRRSA-N 315.325 1.362 10 10 DDCE CN(Cc1ccccc1O)C(=O)N[C@H]1CCc2ncnn2C1 161323622 GSRYGYJWIWVOCP-LBPRGKRZSA-N 301.350 1.140 10 10 DDCE CC(C)NC(=O)[C@@H]1COCCN1c1ccc(CN)c(Cl)c1 159326413 TWOMHTQKBWDRTJ-AWEZNQCLSA-N 311.813 1.529 10 10 DDCE N=c1cc(C(=O)NCc2ccccc2O)c(Br)c[nH]1 1876421794 WDMHDLJDBIFXFB-UHFFFAOYSA-N 322.162 1.892 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl 2144166737 KNXFTWLIAZZBSM-GMTAPVOTSA-N 315.822 1.874 10 10 DDCE O=S1(=O)C[C@H]2CN(Cc3cc(F)cc(F)c3O)C[C@@H]2C1 2144164260 FXRSAPCWCFSOJJ-NXEZZACHSA-N 303.330 1.147 10 10 DDCE CC(C)(C)OC(=O)NCC=CCNC(=O)c1ccc(O)c(O)c1 1982318054 ZTBDKUKPGSUFOS-UHFFFAOYSA-N 322.361 1.909 10 10 DDCE CC[C@H](c1ccccc1O)N(C)CCS(=O)(=O)N(C)C 2151048581 YORDVIGYUOJANY-CYBMUJFWSA-N 300.424 1.667 10 10 DDCE C[C@@H](CS(=O)(=O)N(C)C)N[C@H](C)c1ccc(O)cc1O 2151097385 DZSLJTRMDBFVAZ-VHSXEESVSA-N 302.396 1.028 10 10 DDCE C[C@H]1CCN(c2ccc(CO)c(Br)c2)[C@H]1C(N)=O 2029788797 UTOTVKXNSGONCR-QPUJVOFHSA-N 313.195 1.642 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@H](O)C2)c(Br)c1 300131055 DZFBXHRCJBSGTQ-BZHVJNSISA-N 315.211 1.271 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2Cl)[C@H](O)C(=O)N3)CC[S@]1=O 2171959367 JBZBTJHSGGVGCC-NZWKDGHHSA-N 314.794 1.283 10 10 DDCE C[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCNC2)c2ccccc2O1 2062230070 FKAUGHSBMMTERT-NEPJUHHUSA-N 312.373 1.914 10 10 DDCE O=C(C[C@H](C(F)F)N1CCOCC1)Nc1ccc(O)c(O)c1 2065016412 YLECAQKUNLCAIC-SNVBAGLBSA-N 316.304 1.392 10 10 DDCE CN(C)c1ccc([C@H](O)c2nn(C)nc2Br)cc1 2048790958 RPMVROZTEMHGGQ-NSHDSACASA-N 311.183 1.725 10 10 DDCE Cc1cccc(CNS(=O)(=O)c2sc(O)nc2C)c1O 2204610924 RKRBJODJFPTQQY-UHFFFAOYSA-N 314.388 1.650 10 10 DDCE Nc1ccc(NC(=O)Cn2cc(Br)cnc2=O)cc1 2232188130 FAXOPSHDCQRSSP-UHFFFAOYSA-N 323.150 1.227 10 10 DDCE CCN(CC)c1ccc(C=C2NC(=O)N(CC(=O)O)C2=O)cc1 2293343981 SACLWTSEOAOKTN-UHFFFAOYSA-N 317.345 1.510 10 10 DDCE CSc1ncc(CNC[C@@H](O)COC[C@@H]2CCCO2)s1 2284638934 SOEPTDKZZWLASF-MNOVXSKESA-N 318.464 1.511 10 10 DDCE CN1CCCc2cc(CNC(=O)COC[C@@H]3CCOC3)ccc21 117635729 AYYSSFUYOKPCDK-OAHLLOKOSA-N 318.417 1.738 10 10 DDCE Nc1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2)cc1 35320014 WJZNHYUXMAUVNI-UHFFFAOYSA-N 304.371 1.822 10 10 DDCE C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCS(=O)(=O)C1 191382752 WKNJEFWHVJCDIO-GFCCVEGCSA-N 309.431 1.747 10 10 DDCE CC(C)(C)OC(=O)NCC(=O)C(=O)C(=O)OCc1ccccc1 238128060 VQXRDZLWKCGWBZ-UHFFFAOYSA-N 321.329 1.393 10 10 DDCE O=C(C1CC1)[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 801265813 APNIMVFETSWGJW-XCWSRWAASA-N 317.341 1.318 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 808537644 QGYKGEDBNYUZDI-DTWKUNHWSA-N 300.232 1.909 10 10 DDCE CCOc1ccc(O)c(CN2CCC(N3CC[C@H](O)C3)CC2)c1 827699497 ICRUWDHIPAEVCR-INIZCTEOSA-N 320.433 1.822 10 10 DDCE CC(C)(C)N1CCC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1=O 901131325 IPYYDLXRCVCFGZ-GFCCVEGCSA-N 320.389 1.751 10 10 DDCE C[C@H](NC[C@@]1(CO)COCCN1C)c1cc(F)cc(F)c1O 903280280 MJIPTACHCORTNQ-ZUZCIYMTSA-N 316.348 1.014 10 10 DDCE CO[C@H](C(=O)NCCCSc1nccs1)[C@H]1CCOC1 827474638 HNFAKYYPFXWFLY-QWRGUYRKSA-N 316.448 1.793 10 10 DDCE C/C=C\[C@@H](O)C(=O)N1CCCN(c2ccc(OC)cc2)CC1 900293446 HJKOAULODHKHJD-OICCZTGUSA-N 304.390 1.671 10 10 DDCE COc1cc(O)c(CN2C[C@H]3CC[C@H]2[C@H]2CNC[C@H]32)cc1OC 903964501 UBGWLPYNZDQZIM-RZFFKMDDSA-N 318.417 1.839 10 10 DDCE COC(=O)[C@H]1C[C@H](O)CN(Cc2c(O)cc(C)cc2Cl)C1 843433556 DZXLNQDQVQWGEA-QWRGUYRKSA-N 313.781 1.710 10 10 DDCE C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(N)cc1 841006801 IDWWFJPYRUSFMH-GFCCVEGCSA-N 304.394 1.198 10 10 DDCE COc1cc(Cl)cc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1O 846101950 AACFIRSFGKGHOR-ADWYPQAOSA-N 301.795 1.759 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CC[C@H](Nc2ncccn2)C1 844148094 VIIKFSVXBJYBHR-VIFPVBQESA-N 318.308 1.354 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)C1CN(CC(F)F)C1 846474027 QNQANUDBBDJCLY-UHFFFAOYSA-N 304.724 1.859 10 10 DDCE CCN(CC)[C@H](C)CN1C(=O)CN(Cc2ccccc2O)C1=O 925284893 ROLPRLBGPSQCDP-CYBMUJFWSA-N 319.405 1.887 10 10 DDCE O=C(Cn1nnc2c1CCCC2)NCc1c(O)cccc1F 928705087 DJMXHZCQOVUKCR-UHFFFAOYSA-N 304.325 1.318 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3ccnnc3C)C2)cc1 855234011 QNMTXRLNBSVAQH-ZDUSSCGKSA-N 312.373 1.802 10 10 DDCE C[C@@H]1CC[C@H](O)CN1Cc1ccc(N2CCN(C)CC2)c(F)c1 1119519483 MVWPHTDRXHGDEJ-ZBFHGGJFSA-N 321.440 1.923 10 10 DDCE Cc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(=O)[nH]c1C 773021789 CDASRWIWXQVIAH-GFCCVEGCSA-N 314.389 1.944 10 10 DDCE COC(=O)[C@@H](NCc1cccc(Cl)c1O)c1ccn(C)n1 787438245 KWSYDIAJFGKKOY-LBPRGKRZSA-N 309.753 1.783 10 10 DDCE CCOC(=O)c1nn(-c2ccccc2C(=O)O)c(N)c1C#N 82822789 FIXSLKRZTQLXOS-UHFFFAOYSA-N 300.274 1.201 10 10 DDCE Cc1cc(O)c(CN2CC(C3CS(=O)(=O)C3)C2)c(Cl)c1 895424431 XEOONHQKHSKHCE-UHFFFAOYSA-N 315.822 1.830 10 10 DDCE COc1ccc(CNC(=O)c2cnn(C)c2SC)c(O)c1 794380804 DZEWHVJRLMEDIT-UHFFFAOYSA-N 307.375 1.786 10 10 DDCE CCOc1ccc(O)c(CN[C@@H](C)C2(S(C)(=O)=O)CC2)c1 796493452 XNKQYIHNTKXXIS-NSHDSACASA-N 313.419 1.846 10 10 DDCE CN1C(=O)C(=Cc2ccnn2-c2ccccc2)C(=O)N(C)C1=O 790597841 GQVKHJJISHTOGH-UHFFFAOYSA-N 310.313 1.306 10 10 DDCE COC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(O)cs1 1141412337 GMJZEOXUWQMFAZ-NSHDSACASA-N 306.343 1.363 10 10 DDCE Cc1ccc(C(=O)N[C@@](C)(CO)c2ccc(O)cc2)c(O)c1O 1143501035 WPBWMPWRDIQMIC-KRWDZBQOSA-N 317.341 1.749 10 10 DDCE COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cc1ccc(O)c(O)c1)C2 1299181409 BKPJVWPXWSWHPO-JHJVBQTASA-N 319.357 1.440 10 10 DDCE Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1c(O)cccc1O 1456323255 QQWMPWXIPOGIQY-UHFFFAOYSA-N 303.274 1.518 10 10 DDCE C[C@H](NCC(C)(C)NS(C)(=O)=O)c1cc(O)ccc1O 111772029 UKRSDVSQJYIGIS-VIFPVBQESA-N 302.396 1.076 10 10 DDCE C[C@@H](NC(=O)NCc1nc(N)n[nH]1)c1ccc(N(C)C)cc1 1479133572 RASREWULSQCOIK-SECBINFHSA-N 303.370 1.013 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(C)c1Cl 1611432097 WJBDQMZNKYDVCW-QMMMGPOBSA-N 309.753 1.846 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cnn(-c2cccnc2)c1 1557084665 JGEGBBJDKSWNIO-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC2CC(C(F)F)C2)cc1 1925201062 MOCJCWJZOXHBMF-UHFFFAOYSA-N 304.362 1.980 10 10 DDCE COc1cccc(CNC(=O)c2cnc([C@H](C)O)s2)c1O 1636061100 FDPVVOSRYYBAHL-QMMMGPOBSA-N 308.359 1.841 10 10 DDCE Cc1cc(C)c(CC(=O)NCc2ccc(O)c(O)c2)c(O)n1 1635959669 MCFMEEYBWZGXON-UHFFFAOYSA-N 302.330 1.674 10 10 DDCE O=C1CCCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc(O)c1O 1636993117 UIVBAXUYXBRGLK-YPMHNXCESA-N 319.357 1.698 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCS[C@H]2COCC[C@@H]21 1596068809 QHLNZWNDYSCIRX-FZMZJTMJSA-N 309.387 1.373 10 10 DDCE CCNC(=O)[C@H]1COCCN1c1ccc(CNC)cc1Cl 160149542 JWEXFAOUSBUSRK-CQSZACIVSA-N 311.813 1.401 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CC(=O)C(=O)C[C@H]1C[C@H](N)C1)C1CC1 1895032181 WCDFXRBDKJRYQG-RAIGVLPGSA-N 324.421 1.945 10 10 DDCE C[C@]1(NCc2cc(Br)cc(F)c2O)CCNC1=O 897866920 JVJBHKRRLYDKGC-LBPRGKRZSA-N 317.158 1.662 10 10 DDCE COc1ccc(Br)c(CN[C@@H]2CC[C@H]2O)c1O 1964068544 TZAMKQIUGFCSQQ-NXEZZACHSA-N 302.168 1.776 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@@H]2C[C@]23CC3(F)F)cc1 2172025461 LHIFYMGYOUZIKH-JQWIXIFHSA-N 302.346 1.734 10 10 DDCE CO[C@]1(CNCc2cccc(Cl)c2O)CCS(=O)(=O)C1 721268028 QQRJJLPOUCCJAP-ZDUSSCGKSA-N 319.810 1.339 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3[C@H](C)O[C@@H](C)[C@H]3C)c2n1 2062431417 JCSKYHDJGPTALE-QYTUQVAYSA-N 304.350 1.285 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@@H]3CCCC3(F)F)c2n1 2064538010 BYIMVHSADLKLOZ-VIFPVBQESA-N 310.304 1.909 10 10 DDCE Cc1cc(O)n2ncc(C(=O)Nc3ccnn3C3CCC3)c2n1 2064564807 LMERAZWZUXRFGO-UHFFFAOYSA-N 312.333 1.917 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)C[C@@H]3CCCCO3)c2n1 2064568764 DVLKLHULTKZWOR-NSHDSACASA-N 304.350 1.384 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCCO[C@H](C(C)C)C3)c2n1 2064981222 QLNJYUMLRLRUDY-ZDUSSCGKSA-N 318.377 1.630 10 10 DDCE CCNC(=O)c1cc(CC2CC2)n(-c2ccc(O)c(O)c2)n1 2069967747 LUJPUMOPGQANHN-UHFFFAOYSA-N 301.346 1.986 10 10 DDCE CN([C@@H](CCO)C(F)F)S(=O)(=O)Cc1ccc(N)cc1 2178512948 XZFARKLTVVLNLO-NSHDSACASA-N 308.350 1.047 10 10 DDCE O=C(O)C(F)(F)CCS(=O)(=O)Nc1ccc(O)c(F)c1 2178764745 YWIKRZJOCUHKHG-UHFFFAOYSA-N 313.253 1.383 10 10 DDCE CN(C[C@H]1C[C@@H]1F)S(=O)(=O)CCOc1ccc(N)cc1 2188329297 HYHFUIQFJRLWLG-MFKMUULPSA-N 302.371 1.267 10 10 DDCE Nc1ccc(OCCNS(=O)(=O)CCC(F)(F)F)cc1 2185394002 UACULZBFGHCMLD-UHFFFAOYSA-N 312.313 1.519 10 10 DDCE COCCNCc1cnc(SCCCC(=O)OC)s1 2099102910 IHRWONPBPMLVRQ-UHFFFAOYSA-N 304.437 1.924 10 10 DDCE COc1ccc(Br)c(CN2C[C@H]3[C@@H](N)[C@H]3C2)c1O 2220465036 XDSPZKUSQVEBMP-IJBDUVHLSA-N 313.195 1.552 10 10 DDCE CCN(C(=O)c1nn(C)nc1Br)c1ccc(N)cc1 2226977095 CCUWUFLACJDBAS-UHFFFAOYSA-N 324.182 1.827 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(C(=O)O)c(CC)s1 2339782468 YUDSVNCBLNFUMN-UHFFFAOYSA-N 307.397 1.402 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCCN(C)C2)s1 2347441219 RSSBHWJOOIKLQJ-GFCCVEGCSA-N 301.437 1.504 10 10 DDCE O=C(Oc1cc(O)cc(O)c1C(=O)O)c1ccc(O)c(O)c1 902080 GRXIELRCPYIEQI-UHFFFAOYSA-N 306.226 1.426 10 10 DDCE in-man Cc1cc(N(C)C)ccc1CNC(=O)N1CCNC(=O)CC1 115854198 RDWHAUSFYTYGIE-UHFFFAOYSA-N 304.394 1.093 10 10 DDCE Nc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 36288616 ZQOUDYUPSLKKAN-UHFFFAOYSA-N 307.331 1.656 10 10 DDCE CCN1CCN(c2cc3c(cc2Cl)[C@@H](NC)C(=O)N3)CC1 92749990 HSLZBRWGXKMWHW-CQSZACIVSA-N 308.813 1.695 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CC(=O)N(C)[C@@H](C)C2)c1O 282383837 XEBLCYFYTKSOMX-VIFPVBQESA-N 310.781 1.911 10 10 DDCE CO[C@H]1COCC[C@@H]1CC(=O)NCc1ccc(N(C)C)c(F)c1 822862717 KXFYQMZITZCHRS-CJNGLKHVSA-N 324.396 1.950 10 10 DDCE COc1cc(Br)cc(CN[C@H](C)[C@H](C)N)c1O 841077540 CIODYZCIIRKXFL-JGVFFNPUSA-N 303.200 1.989 10 10 DDCE C[C@H]1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C[C@@H]1C 846246193 DTIMWKXCNMSALD-UWVGGRQHSA-N 304.350 1.611 10 10 DDCE Cn1nnc2c1C[C@@H](NC(=O)N1Cc3cccc(O)c3C1)CC2 927864687 UNQDBERZMBJUGS-NSHDSACASA-N 313.361 1.103 10 10 DDCE CC[C@@H](NC[C@@]1(OCCO)CCOC1)c1ccc(N(C)C)cc1 850506023 AWFSXFPBRBOMOX-MSOLQXFVSA-N 322.449 1.961 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@H]2CCNC23CCC3)cc1 861550030 WVNLKDGEMLGVAC-HNNXBMFYSA-N 302.422 1.836 10 10 DDCE CCO[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[C@H]1CCOC1 866756971 FDTQURIODCJYDZ-SWLSCSKDSA-N 309.362 1.198 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)NCc2ccccc2O)c1 769365161 NIRNWGLZVZAYHY-SREVYHEPSA-N 311.341 1.476 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NCCc1nnnn1C 772574934 FZUMEMKRDMWEGA-UHFFFAOYSA-N 318.381 1.080 10 10 DDCE CCN(CC)c1ccc(CN2CC[C@](O)(C(=O)OC)C2)cc1 895706544 GGIMTJPCKXHURH-QGZVFWFLSA-N 306.406 1.643 10 10 DDCE NC(=O)[C@@H]1CC[C@H](C(=O)NCCCSc2nccs2)C1 896335030 SBSRNCOPOUJOAV-ZJUUUORDSA-N 313.448 1.643 10 10 DDCE Cc1cc(Br)c(O)c(CN2CCNC(=O)[C@H]2C)c1 781906317 XKKSBOAWJUCHBK-SECBINFHSA-N 313.195 1.783 10 10 DDCE C[C@@H](O)c1ccc(N(C)[C@H]2COC[C@H]2O)c(Br)c1 708720005 LTIRRJUQHXLDHU-OXHMUOHRSA-N 316.195 1.698 10 10 DDCE O=C(O)[C@@H]1C[C@H]1CNCc1ccc(Br)cc1O 715365621 VAOUVLCFXQHWTM-WCBMZHEXSA-N 300.152 1.965 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cc2c(nc1O)CCC2 1156880894 GGDYQRYIFGXFDX-UHFFFAOYSA-N 300.314 1.617 10 10 DDCE CS(=O)(=O)N[C@H]1CCN(Cc2cc(Cl)ccc2O)C1 93531054 QLCRXSMEMPZTRY-NSHDSACASA-N 304.799 1.169 10 10 DDCE COc1ccc2c(O)nn(C(=O)c3cccc(O)c3O)c2c1 1160244280 DJIPHMFOURHJKI-UHFFFAOYSA-N 300.270 1.850 10 10 DDCE CCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H](CN=[N+]=[N-])C1 1912200940 NMDYOEINDRMOOM-SDDRHHMPSA-N 302.400 1.211 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1cnn2c1CCCC2 1350717422 NXAPLBUKPNGNQZ-FNORWQNLSA-N 313.357 1.960 10 10 DDCE Cc1ccc(O)c(CNC(=O)Cn2nnnc2-c2ccccc2)c1 1453651730 PKQSAVUPYXVIJX-UHFFFAOYSA-N 323.356 1.671 10 10 DDCE C[C@@H](CC[S@](C)=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1294064721 XYNVRWJHDWNVKJ-FPVGNUTFSA-N 310.379 1.736 10 10 DDCE CCNCc1ccc(N2CCN(CCO)CC2)c(OCC)c1 211884769 ZTYFKXADVJJWNV-UHFFFAOYSA-N 307.438 1.309 10 10 DDCE Cn1cccc1[C@@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1611367173 YQLRXSKHBZILHA-AWEZNQCLSA-N 316.357 1.579 10 10 DDCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ns[nH]c1=O 1625241272 XDGDEUHLHIKDOX-UHFFFAOYSA-N 320.418 1.948 10 10 DDCE CN(C)c1ccc(CNC(=O)c2ccc3ncn(C)c3n2)cc1 1628707903 CHZPUDNPDGXQGM-UHFFFAOYSA-N 309.373 1.964 10 10 DDCE CN(C(=O)OC(C)(C)C)C(C)(C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961042844 GKTPNGHAJMMZJM-XYPYZODXSA-N 312.410 1.898 10 10 DDCE NN1C(=O)/C(=C/c2cccc(OCC(=O)O)c2)SC1=S 16905025 DADQPZYCLALQJI-UITAMQMPSA-N 310.356 1.225 10 10 DDCE CC(C)(C)OC(=O)NC1(CNC(=O)Cc2ccc(N)cc2)CC1 1977673259 XPNUULITODLCEO-UHFFFAOYSA-N 319.405 1.985 10 10 DDCE Cc1cc(O)ccc1NS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 2145852636 BXOCRWAUKFULSE-GHMZBOCLSA-N 300.380 1.467 10 10 DDCE CCN[C@H](c1ccccc1O)[C@@](C)(O)[C@H](C)S(C)(=O)=O 2170628796 AHYYHBRYCAASRX-GDLCADMTSA-N 301.408 1.227 10 10 DDCE NCc1ccc(N2CCSC[C@@H]2CO)cc1Br 387778257 JKSRLVUHPQKDJL-NSHDSACASA-N 317.252 1.822 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)CCc3nccs3)c2n1 2062815121 FUMSQVQKMXJDNB-UHFFFAOYSA-N 317.374 1.515 10 10 DDCE CNC(=O)c1ccnn1Cc1ccc(Br)cc1O 2069912379 BHVPIZAEIQXZQF-UHFFFAOYSA-N 310.151 1.759 10 10 DDCE Cc1cc([C@@H](C)O)ccc1N1CCSC[C@@H]1S(C)(=O)=O 2240827569 AGERAZZARPWJJE-RISCZKNCSA-N 315.460 1.972 10 10 DDCE CSc1ncc(CN[C@H]2CCC[C@@H]2S(C)(=O)=O)s1 2257106805 OZLIKNZLHVXXRW-UWVGGRQHSA-N 306.478 1.920 10 10 DDCE COCCOCCOCCSc1ncc(C(=N)NO)s1 2296264400 MUOABMCOEXRBIK-UHFFFAOYSA-N 321.424 1.219 10 10 DDCE COc1ccc(Br)c(CN2CC[C@H](N)C2)c1O 1236169875 GTSQYAJRVUSYKC-QMMMGPOBSA-N 301.184 1.696 10 10 DDCE CN(C)c1ccc(C=CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 2320615682 RXEPJKCNLOLNFZ-CYBMUJFWSA-N 308.403 1.069 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCCNCC2)s1 2345194221 ZNXSEXUJYDSZTG-LBPRGKRZSA-N 301.437 1.552 10 10 DDCE C[C@@H](CO)CNC(=O)NCc1ccc(N2CCSCC2)cc1 54536493 FIJPYYXMEYGPMT-CYBMUJFWSA-N 323.462 1.667 10 10 DDCE CNC(=O)C1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 63406458 BBBDJDPHTCDEDB-UHFFFAOYSA-N 319.405 1.838 10 10 DDCE Cc1ccc(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)c(O)c1O 179524313 YEJVHRCOPNIONE-JSGCOSHPSA-N 320.389 1.199 10 10 DDCE C[C@H](NC[C@H](C)N1CCN(C)CC1)c1ccc(F)c(F)c1O 187701880 KNOYYIYNZYPMQI-RYUDHWBXSA-N 313.392 1.957 10 10 DDCE C[C@@H](NCC(F)(F)CO)c1ccc(N2CCC(O)CC2)cc1 184714866 ZUWODBRMIZONNP-GFCCVEGCSA-N 314.376 1.926 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)[C@@]12CCC[C@H]1CS(=O)(=O)C2 2362981545 PFIAIBWSZSUNOZ-CMPLNLGQSA-N 300.384 1.360 10 10 DDCE Cc1cc(NS(=O)(=O)NC(=O)OC(C)C)cc(C)c1O 2366466793 VIDNQFDJSYKWEC-UHFFFAOYSA-N 302.352 1.800 10 10 DDCE C[C@@H](NCCCS(=O)(=O)N(C)C)c1ccc(F)cc1O 2367627632 RVNKHYKNDJHBRN-SNVBAGLBSA-N 304.387 1.463 10 10 DDCE COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc(N2CCCCC2)cc1 93441248 ARSWSCYPKVWIEO-IRXDYDNUSA-N 318.417 1.785 10 10 DDCE CC[C@H](C)NC(=O)C(=O)N1CCN(c2ccc(OC)cc2)CC1 244515799 ZPMZGMLVFVJPBX-ZDUSSCGKSA-N 319.405 1.259 10 10 DDCE C[C@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1O 368211628 HUUOYIHZOYNJQW-NHYWBVRUSA-N 322.380 1.962 10 10 DDCE COc1cc(O)c(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1OC 362241204 XDTPSZRSLDXGKT-CYZMBNFOSA-N 320.389 1.508 10 10 DDCE COc1ccc2c(c1)c1c(n2CC(=O)NCCCN)CCCC1 653043569 CFSLOTGZUCQSEG-UHFFFAOYSA-N 315.417 1.994 10 10 DDCE CN1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 729525319 HFFHOZMXLLVIDQ-HNNXBMFYSA-N 303.406 1.091 10 10 DDCE COC[C@](C)(CO)NC(=O)c1cc2cc(O)c(O)cc2s1 907406653 BELDNRJJVJBCIJ-AWEZNQCLSA-N 311.359 1.440 10 10 DDCE CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 907275012 UXZNXSCCWCPIEG-WCFLWFBJSA-N 321.373 1.734 10 10 DDCE C[C@@H]1[C@@H](O)CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 837816762 ISPJUKUTPJXOPN-CJNGLKHVSA-N 319.405 1.188 10 10 DDCE CN(CC(=O)N1CCOCC1)Cc1cc2c(cc1O)CCC2 732180054 QLDSYLDGCBAKKY-UHFFFAOYSA-N 304.390 1.172 10 10 DDCE O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCOCC2)c(F)c1 846103608 RYKWYOSBGXWBBP-FBJOKTGGSA-N 324.421 1.368 10 10 DDCE CCO[C@H]1C[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 849362508 WIVVGPUFMCQNTN-JOCQHMNTSA-N 304.346 1.724 10 10 DDCE C[C@H](O)[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCO1 840244508 OBDMASADNJEBDB-SWLSCSKDSA-N 307.394 1.044 10 10 DDCE CC[C@@H](NC[C@@H](O)CS(C)(=O)=O)c1cc(Cl)ccc1O 927023904 JEVDOHPFAQPSPS-ZYHUDNBSSA-N 321.826 1.492 10 10 DDCE C[C@@H]1CC[C@H](C(=O)O)N1CC(=O)NCc1ccc(N(C)C)cc1 844836766 PFYZYRAWEWSWBH-IUODEOHRSA-N 319.405 1.306 10 10 DDCE C[C@@H](CN)NC(=O)NCc1cc(Br)ccc1O 841981933 HTQBRIDHEILCAN-ZETCQYMHSA-N 302.172 1.301 10 10 DDCE C[C@@H](NC(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1O 926677492 PNBBQHLMAGEOGO-BLTAXRJOSA-N 306.362 1.556 10 10 DDCE COc1ccc(N2CC[C@H](Nc3cncc(C(N)=O)n3)C2)cc1 853758581 HVHXUONAMAOQPX-NSHDSACASA-N 313.361 1.275 10 10 DDCE Oc1c(F)cc(Cl)cc1CN1CCN2CCOC[C@H]2C1 757929940 DKRKRSXUGXHFKN-GFCCVEGCSA-N 300.761 1.701 10 10 DDCE CCO[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)CN(C)C 926854240 MSKLSIXSQFUIEA-ZDUSSCGKSA-N 307.394 1.384 10 10 DDCE CC[C@@H](CS(=O)(=O)NNc1nc2cccnc2s1)OC 857225900 WSCJQLPHRNQLIO-QMMMGPOBSA-N 316.408 1.363 10 10 DDCE CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852900728 QKJNGQBMWHQDAZ-IOASZLSFSA-N 305.422 1.764 10 10 DDCE CN1CC(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 852137925 AZHKHMMOCNNKFA-UHFFFAOYSA-N 314.433 1.766 10 10 DDCE Nc1ccc(CCNC(=O)N2C[C@@H]3CCC[C@]3(CO)C2)cc1 861642061 ZICHMXPAJSZZDC-WMLDXEAASA-N 303.406 1.615 10 10 DDCE CS(=O)(=O)C1(C(=O)NCc2ccc3cccnc3c2O)CC1 862026158 HFWBVBRMPCVPTA-UHFFFAOYSA-N 320.370 1.134 10 10 DDCE COC(=O)/C=C/c1ccc(N2C[C@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 768528317 XOTNEVGUAPXXPG-PCQPLOBWSA-N 306.318 1.598 10 10 DDCE O=C(NCC(=O)N1Cc2cccc(O)c2C1)NC1CCCCC1 871200396 BOZJMYQVLUHQCN-UHFFFAOYSA-N 317.389 1.866 10 10 DDCE COC(=O)[C@H](CC1CCOCC1)NCc1cc(OC)ccc1O 895593057 XORXOYJFPZFGDQ-HNNXBMFYSA-N 323.389 1.849 10 10 DDCE Oc1cc(Br)ccc1CN1CCO[C@@H]2CNC[C@@H]21 686532493 ISORJXQUBZYZBT-WCQYABFASA-N 313.195 1.327 10 10 DDCE COc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1O 1141793577 VVSZCQSBALQKEH-UHFFFAOYSA-N 303.314 1.671 10 10 DDCE CN(CCCNCc1ccc(Cl)cc1O)S(C)(=O)=O 1665224256 SXKDDPOGRZTKJJ-UHFFFAOYSA-N 306.815 1.417 10 10 DDCE C[C@@H](NC(=O)c1cccs1)C(=O)NCc1cc(O)ccc1O 1176748218 MSJSNCJWWDKUPU-SECBINFHSA-N 320.370 1.594 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N1CCC(CCF)CC1 1335548689 QHZCYCCDCJTFFD-UHFFFAOYSA-N 322.380 1.949 10 10 DDCE O=C(Nc1c(Cl)ccc2nonc12)c1nc2ncccn2n1 1271355188 ALAVCRTUHULFHV-UHFFFAOYSA-N 315.680 1.566 10 10 DDCE [N-]=[N+]=NC1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 1912185885 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CC1(C)C(=O)NCCN1c1ccc(CN)cc1Br 212868713 LWBIMSWRQKDUDK-UHFFFAOYSA-N 312.211 1.623 10 10 DDCE O=S(=O)([C@H]1CC1(F)F)N1CCc2cc(O)c(O)cc2C1 2366932632 PMOSKHQMBCGSOH-NSHDSACASA-N 305.302 1.193 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C(N)=O)cn2C)c1 131348694 SRFKXZFEHBVBAX-SECBINFHSA-N 317.345 1.329 10 10 DDCE CCCN[C@H](C)c1ccc(N2CC(=O)NC(=O)C2)cc1Cl 97268869 GLVIHOIABTZGBJ-SNVBAGLBSA-N 309.797 1.863 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(OCc2ccccc2)nc1 808511606 HAZKQTPIFWDKPH-UHFFFAOYSA-N 313.309 1.976 10 10 DDCE CO[C@@H]1CN(c2cc(Br)c(CN)cc2F)C[C@H]1O 396018388 RSXZZPHWBXLLKM-VXGBXAGGSA-N 319.174 1.243 10 10 DDCE CN1CCN(Cc2cc(Br)cc(CN)c2O)CC1 642879876 DRAVEOCGVYCTCB-UHFFFAOYSA-N 314.227 1.361 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)CC1(C(=O)OC)CC1 823576457 OTTGYCAHQDNGSV-UHFFFAOYSA-N 321.373 1.711 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)CCOCC2CC2)cc1 832267494 UAQBSJBVRHGFAC-MRXNPFEDSA-N 305.422 1.685 10 10 DDCE COC(=O)CC1CC(NC(=O)NCc2ccc(N(C)C)cc2)C1 902891756 VYDKXEJMPYJZCS-UHFFFAOYSA-N 319.405 1.894 10 10 DDCE O=C(NCc1cccc(Br)c1O)[C@@H]1[C@H]2COC[C@H]21 834475847 GAZABJVBHXDQCP-JZYVYDRUSA-N 312.163 1.663 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@H](CN)C(F)(F)F)c1 848595309 LBNCUJJFZBQVBP-SNVBAGLBSA-N 307.272 1.090 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2C[C@H](C(N)=O)C2)c1 858773681 ZFEZHNVBHJHEKU-GUBZILKMSA-N 307.350 1.025 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 855224246 JHPQIUNQOQXAQP-AWEZNQCLSA-N 317.433 1.874 10 10 DDCE CN(C)c1ccc(CNC(=O)CNC2(CCO)CCCC2)cc1 852118047 DLRXOEDQBURJFJ-UHFFFAOYSA-N 319.449 1.654 10 10 DDCE C[C@H](NC(=O)NCc1nnc2n1CCC2)c1ccccc1O 864425124 UJFGCKXGSCFKBG-JTQLQIEISA-N 301.350 1.490 10 10 DDCE Nc1ccc(NC(=O)C(=O)N[C@H](C2CCC2)[C@H]2CCCO2)cc1 868296022 IZSPMIDWKQBVDL-HUUCEWRRSA-N 317.389 1.671 10 10 DDCE CCO[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[C@@H]1CCOC1 867302522 QMDSCZXPYVTNAA-KFNAQCHYSA-N 323.389 1.587 10 10 DDCE C[C@H]1CO[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 1119453112 RCIQNNMTKGXHCY-CZUORRHYSA-N 304.390 1.564 10 10 DDCE O=C(NCC1OCCCO1)c1cc2cc(O)c(O)cc2s1 897515794 BKMAMGPIJCHPHB-UHFFFAOYSA-N 309.343 1.805 10 10 DDCE CN(CCNCc1cc(Cl)c(F)cc1O)CCOCCO 895665873 QOAQKVJMAFBXMM-UHFFFAOYSA-N 320.792 1.215 10 10 DDCE C[C@]12CN(Cc3cc(F)cc(F)c3O)C[C@]1(C)C(=O)NC2=O 895418346 MVQAGHQPTKIBAK-HUUCEWRRSA-N 310.300 1.155 10 10 DDCE C[C@H]1CC(=O)NCCN1c1ccc(CO)c(Br)c1 687863976 FMHCMAKXXCFLHS-VIFPVBQESA-N 313.195 1.656 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cccc(OCC(N)=O)c2)c1 1167293566 JMTVQTFKOVKEKS-UHFFFAOYSA-N 314.341 1.495 10 10 DDCE CC[C@]1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCNC1 1327865863 URKNHPXAFCDAFH-KSSFIOAISA-N 317.433 1.780 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912148810 XXTHYFPZEAHDQE-QMMMGPOBSA-N 318.790 1.785 10 10 DDCE CC(=O)N1CCN(c2ccc(CN=c3cc[nH]cc3)cc2)CC1 1354019832 VZLJQSFNVQJXGM-UHFFFAOYSA-N 310.401 1.784 10 10 DDCE CO[C@H]1CC[C@@H]1N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 1354383760 ORJOEADVAHAEKP-GJZGRUSLSA-N 319.405 1.005 10 10 DDCE COc1cc(CNC[C@H]2CCCO2)ccc1N(C)CC(=O)O 211564085 LIHUJAUYOISJBY-CYBMUJFWSA-N 308.378 1.485 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1cnc(N)c([N+](=O)[O-])c1 1622312612 SIGNDVHLTQBLGR-UHFFFAOYSA-N 302.290 1.550 10 10 DDCE CCC[C@H](CCO)CNS(=O)(=O)Cc1ccc(N)cc1 227399514 XCHGMVHDXBYJFU-GFCCVEGCSA-N 300.424 1.487 10 10 DDCE Cn1ncc(C(=O)NCc2ccc(O)cc2O)c1C(F)(F)F 1626838264 UPBYZKBDKVBGON-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)C[C@@H](C)O 1717500425 SMBCPTDFSKZITH-WDEREUQCSA-N 321.381 1.280 10 10 DDCE CC(C)COC[C@@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1635821109 PPJLNONKPGODME-ZDUSSCGKSA-N 322.365 1.612 10 10 DDCE COC(=O)c1ccc(CNC(=O)c2ccc(C)c(O)c2O)nc1 1634851403 HYYDATICKMWQAZ-UHFFFAOYSA-N 316.313 1.518 10 10 DDCE COC(=O)C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1C 1644874089 IEGIYKMAHFYDLI-ZYHUDNBSSA-N 307.346 1.298 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)Cc1ccc(N)cc1 1959370230 DVJRTLSIZZSDQA-CHWSQXEVSA-N 305.378 1.593 10 10 DDCE CC(C)C(=O)N[C@H]1CCCN(CCOc2ccc(N)cc2)C1 586067436 WNKPCWZVLSRKQE-HNNXBMFYSA-N 305.422 1.884 10 10 DDCE NCCN1CCN(Cc2c(O)cccc2Br)CC1 2039302678 NODAFJZJRQGINU-UHFFFAOYSA-N 314.227 1.231 10 10 DDCE CNCc1ccc(N2C[C@H](O)C[C@H]2CO)cc1Br 698176267 UMGIJEFGNDTVFL-NWDGAFQWSA-N 315.211 1.100 10 10 DDCE COc1cccc(CN[C@@H](C)CS(=O)(=O)C(C)C)c1O 2170586453 UQBKMDMVEBRVRB-NSHDSACASA-N 301.408 1.702 10 10 DDCE COc1ccc([C@H](C)N[C@@H](C)[C@H](C)S(C)(=O)=O)c(O)c1 2170596109 DECLDXIRMGSBKU-DCAQKATOSA-N 301.408 1.873 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(Br)c1 2068367899 AHYWVRCTGSPSOH-CKLFPEKLSA-N 315.211 1.401 10 10 DDCE OC[C@]1(CNCc2cccc(Br)c2O)CCCO1 2073628451 WZNSXQXMPVLARW-CYBMUJFWSA-N 316.195 1.786 10 10 DDCE CCS(=O)(=O)CNC(=O)N(C)[C@H](C)c1ccccc1O 2233893507 PTFAKNPCYPKYGY-SNVBAGLBSA-N 300.380 1.487 10 10 DDCE COc1nscc1S(=O)(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2225799776 MAESNFOGWLJUAR-RNFRBKRXSA-N 303.369 1.661 10 10 DDCE CO[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)CSC 2225795525 OOGHBAGGITVJCH-LBPRGKRZSA-N 304.437 1.066 10 10 DDCE CSc1ncc(CN[C@H](C)[C@H]2CCS(=O)(=O)C2)s1 2257105102 WMMQFLIDVIZJQG-BDAKNGLRSA-N 306.478 1.778 10 10 DDCE CSc1ncc(CN=c2[nH]cnc3c2CCNCC3)s1 2284687895 BFRCEQLFMYWIED-UHFFFAOYSA-N 307.448 1.377 10 10 DDCE CC1=NN(c2ccccc2)C(=O)C1=CN[C@@H]1CCS(=O)(=O)C1 2297735196 COOZQDHEIZYUIS-GFCCVEGCSA-N 319.386 1.070 10 10 DDCE CN1[C@H]2CC[C@H]1CN(C(=O)C=Cc1ccc(O)c(O)c1)CC2 2307987874 QTYPIIDTAIHIJA-KBPBESRZSA-N 302.374 1.806 10 10 DDCE Cc1ccc(CN2C[C@H](O)C[C@@H]2CO)c(O)c1Br 2327620195 AMOFXWYMUHJXEV-GHMZBOCLSA-N 316.195 1.391 10 10 DDCE Cc1n[nH]c(C)c1CNC(=O)[C@@H](C)Cc1ccc(O)c(O)c1 170033473 CKLTZNKQEYKNMR-VIFPVBQESA-N 303.362 1.933 10 10 DDCE COC[C@@H](O)CN(C)c1ccc([C@H](C)N)cc1Br 61697545 VIAUOTZLULHPCS-ONGXEEELSA-N 317.227 1.912 10 10 DDCE Cc1cccn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1=O 179876613 CIKCZLBTLIKKKQ-UHFFFAOYSA-N 313.401 1.881 10 10 DDCE Cn1cc(CCNCc2ccc(N3CCOCC3)cc2)cn1 69786487 GETWLIGHLWQSCF-UHFFFAOYSA-N 300.406 1.589 10 10 DDCE CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCc1ccc(N(C)C)cc1 78430740 YAZTVTQDEWHLLB-BXUZGUMPSA-N 306.410 1.452 10 10 DDCE CC(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 122682663 XMUWIHLAURQDGT-HNNXBMFYSA-N 321.446 1.632 10 10 DDCE CCOC(=O)[C@@H]1CSCCN1C(=O)Cc1ccc(N)cc1 37803822 SUGPXFSPNWZHQJ-ZDUSSCGKSA-N 308.403 1.318 10 10 DDCE CNCc1ccc(N2CC[C@H](S(=O)(=O)C(F)F)C2)cc1 2368713209 NMVZOWVEJCFGCB-LBPRGKRZSA-N 304.362 1.622 10 10 DDCE CCN(CC)c1ccc([C@@H]2NC(=O)[C@H]3COCCN32)cc1F 93885456 WYXWVSBYRKBVON-HUUCEWRRSA-N 307.369 1.501 10 10 DDCE NCc1ccc(N2CCC[C@@H]2C(N)=O)c(F)c1Br 231838858 VWCADDRULKYWCU-SECBINFHSA-N 316.174 1.501 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F 815511425 JLULUJANZNLDJD-UHFFFAOYSA-N 319.191 1.929 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)N3CCCO3)C2)cc1 824687719 UGLPVRKNENHHPU-CYBMUJFWSA-N 305.378 1.868 10 10 DDCE COC(=O)[C@@H]1C[C@H](O)CN(Cc2c(O)cc(C)cc2Cl)C1 843433555 DZXLNQDQVQWGEA-MNOVXSKESA-N 313.781 1.710 10 10 DDCE COc1cc(Br)cc(CN[C@H](C)[C@@H](C)N)c1O 841077539 CIODYZCIIRKXFL-HTQZYQBOSA-N 303.200 1.989 10 10 DDCE C[C@@H](CC(=O)O)C(=O)NCc1cc(Br)ccc1O 911556992 YBWOBPHYCOPCTN-ZETCQYMHSA-N 316.151 1.882 10 10 DDCE COc1ccc(N2CC[C@H](NS(=O)(=O)CC3CCC3)C2)cc1 849416367 PYYXLVPOPIUPBB-AWEZNQCLSA-N 324.446 1.993 10 10 DDCE CCO[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1CN 846225349 NBJCAKFLJOFSBT-IUODEOHRSA-N 310.369 1.530 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)[C@@H](O)C2CCC2)cc1 846448556 ZLAOMCPZJVYXBY-INIZCTEOSA-N 306.406 1.751 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccon1 740740373 QXYNOGSONFTENK-UHFFFAOYSA-N 315.373 1.712 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCNC[C@@H]2C(F)F)c1O 843124656 IMBWMQDZOHTXLC-SNVBAGLBSA-N 317.292 1.348 10 10 DDCE Cc1cc(C)c(O)c(CN2CCN(CCN(C)C)C(=O)C2)c1 844714125 JPDKQUAVJFUGPI-UHFFFAOYSA-N 305.422 1.215 10 10 DDCE Cc1cc(O)c(CNCCCN2CCCS2(=O)=O)cc1C 742370506 YDBSSNCDLHKSCV-UHFFFAOYSA-N 312.435 1.524 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCC3CSC3)C2)cc1 923186799 VIESCMWMWMVAAA-CYBMUJFWSA-N 321.446 1.936 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cc3cc[nH]n3)C2)cc1 855232216 RDMPQVZSFRTEQP-ZDUSSCGKSA-N 300.362 1.356 10 10 DDCE Oc1ccccc1CN1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856534530 SMYFWAORZRHEHF-JKSUJKDBSA-N 311.385 1.743 10 10 DDCE Oc1cc2c(cc1CN1CC[C@@H](Cn3ccnn3)C1)OCO2 853521804 FZCDFHBKMRXGLA-LLVKDONJSA-N 302.334 1.235 10 10 DDCE COC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C1CCOCC1 855290989 IGICCMZRRDHVDN-PKXJPQMGSA-N 321.373 1.669 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H](C(=O)O)C3CC3)CC2)cc1 852943190 SOTWAARWPBYRNW-OAHLLOKOSA-N 318.373 1.455 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)c2cc(C)cnc2N)c1 766820764 XLCPYAUWGVMKOZ-UHFFFAOYSA-N 323.374 1.165 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCCCC[C@H](N)C2)cc1 866671405 RREUOUWPRUNJKH-INIZCTEOSA-N 318.465 1.572 10 10 DDCE CC1(CC(=O)NCc2ccc(N3CCOCC3)cc2)COC1 930522881 KFBKSSZAOVIDLL-UHFFFAOYSA-N 304.390 1.566 10 10 DDCE COc1ccc(O)c(CNC(=O)c2c(OC)ccnc2OC)c1 866766670 AKOOHAZUSVTFCW-UHFFFAOYSA-N 318.329 1.743 10 10 DDCE Cc1cc(N(C)C)ccc1CN1C(=O)N[C@]2(CCSC2)C1=O 761353944 IGZQIGSPMXOJIU-INIZCTEOSA-N 319.430 1.989 10 10 DDCE COCCN(C(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCOC1 783730805 UHVIDNJWFDWMKH-MRXNPFEDSA-N 321.421 1.700 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)CS(=O)(=O)C2CC2)c1 1150543627 RGVWCWXDHAWIIP-SECBINFHSA-N 313.375 1.155 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CCO[C@H]4C[C@@H]43)c(Br)cc21 2115157045 XLXKYDALKPFOKU-SRVKXCTJSA-N 324.178 1.379 10 10 DDCE COc1ccc(CNCCN(C)C(=O)Cc2ccon2)cc1C 1267355766 CPOJCSWFULFJDU-UHFFFAOYSA-N 317.389 1.782 10 10 DDCE CCN1CC(CCO)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1506143402 MEVMKXZYNIALAL-UHFFFAOYSA-N 319.365 1.036 10 10 DDCE Cn1cc(C(F)F)c(CNC(=O)c2c(F)ccc(O)c2O)n1 1457983093 PHXOSALUMAVARI-UHFFFAOYSA-N 315.251 1.838 10 10 DDCE COc1ccc(CCC(=O)NCc2c(O)cccc2O)cn1 1456323401 RPBFIZKHGLQHKS-UHFFFAOYSA-N 302.330 1.750 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(O)CCOCC1 1539467499 CRAXGTICFCHLRE-UHFFFAOYSA-N 318.417 1.787 10 10 DDCE COCCOc1ncccc1C(=O)NCc1c(O)cccc1O 1639288895 AUIJSRVHDUYSCU-UHFFFAOYSA-N 318.329 1.448 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc(N)n[nH]1 1687347622 JLEFIPLQOZCYPS-UHFFFAOYSA-N 317.397 1.185 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NCc1ccc(O)cc1O 1937554862 UHRFKLOFVRJJBV-OLZOCXBDSA-N 324.377 1.480 10 10 DDCE CCN(Cc1ccccc1)C(=O)c1nnn(-c2ccc(N)cc2)n1 1857879197 YORLWMIZIMHVDD-UHFFFAOYSA-N 322.372 1.907 10 10 DDCE NCc1ccc(N2CCN3C(=O)CC[C@@H]3C2)c(Br)c1 168393781 UDZKNQYPZOGSCS-LLVKDONJSA-N 324.222 1.719 10 10 DDCE Oc1ccc(-n2cc(I)c(O)n2)cc1O 2070635109 LKMBKDDJTLJVEZ-UHFFFAOYSA-N 318.070 1.594 10 10 DDCE CN(CC[S@@](C)=O)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 399031025 QBVFKJHZQMNLQH-JEOXALJRSA-N 301.799 1.107 10 10 DDCE CCN(CCS(C)(=O)=O)c1c(F)cc([C@@H](C)O)cc1F 2194515254 ZEMKXACNLOPXND-SECBINFHSA-N 307.362 1.889 10 10 DDCE CO[C@@H]1C[C@@H](O)CN(c2ccc(CN)cc2Br)C1 2046671607 SIJMTYGTXYKHBY-GHMZBOCLSA-N 315.211 1.494 10 10 DDCE O=C1NCC[C@@H]1CCNCc1cc(Br)ccc1O 2075989091 GVUGUBQHRFHTEU-VIFPVBQESA-N 313.195 1.771 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)N1CCC[C@@H]1CO 2105592472 CFCLWKUCXJSCLC-MRVPVSSYSA-N 306.771 1.159 10 10 DDCE O=S1(=O)C[C@H]2CN(c3ccc(CO)c(Cl)c3)C[C@@H]2C1 2087856037 IWTAIGNFENDORB-GHMZBOCLSA-N 301.795 1.313 10 10 DDCE CSc1ncc(CN2C(=O)[C@H](C(C)C)NC(=O)[C@H]2C)s1 2284665269 KUQYJSKSAPWHMJ-SCZZXKLOSA-N 313.448 1.737 10 10 DDCE COc1cc(C=C2SC(=S)NC2=O)c(O)c([N+](=O)[O-])c1 2297318045 NGEBAOCKDPCGCZ-UHFFFAOYSA-N 312.328 1.798 10 10 DDCE CN(C)CCNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2303184517 ASWGHLXAZFGAMM-UHFFFAOYSA-N 303.406 1.214 10 10 DDCE Cc1ccc(CN2C[C@@H](O)CCC2=O)c(O)c1Br 2327796215 DGQGECMVNCBMJN-JTQLQIEISA-N 314.179 1.946 10 10 DDCE Cc1ccc([C@](C)(O)CNC(=O)c2ccc(C)c(O)c2O)o1 179529000 WVMBNBVLKYDWIO-MRXNPFEDSA-N 305.330 1.945 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@H]2CCc3ncnn3C2)cc1 112712258 SWLXCIHFILKICX-ZDUSSCGKSA-N 314.393 1.158 10 10 DDCE CN(C)C(=O)CC(=O)NCc1ccc(N2CCSCC2)cc1 174031951 UPLFGJBFVFZZND-UHFFFAOYSA-N 321.446 1.334 10 10 DDCE Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(N)cc2)cc1 35309434 DRRJKDJHQYEXED-UHFFFAOYSA-N 304.371 1.990 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCCCn1ccnn1 183523182 VELIXBBCXBPNMD-UHFFFAOYSA-N 316.409 1.576 10 10 DDCE O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1CCCO 210385004 GVXUZKSISXVTAC-KPKJPENVSA-N 323.395 1.999 10 10 DDCE CCOC(=O)c1nn(C)cc1CN(C)Cc1ccccc1O 186190597 BFQSCFCHSMLUHY-UHFFFAOYSA-N 303.362 1.934 10 10 DDCE COCCNC(=O)CCNCc1cc(Cl)cc(OC)c1O 228677333 SVGNSKDMTUDRNP-UHFFFAOYSA-N 316.785 1.297 10 10 DDCE COC(=O)[C@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCSC1 272644805 MBZLFUGUCWHVDO-UJAVWCLSSA-N 323.370 1.276 10 10 DDCE CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cccc(OC)c1O 372280778 GBUBKXGEFIRWNV-KGLIPLIRSA-N 323.389 1.943 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1ccc(NC(=O)C2CC2)cc1 808522428 UBJKUMCPCJGKFG-UHFFFAOYSA-N 303.314 1.279 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H](C(F)F)C2)c1O 802654115 VQPYCNDHGMZHGR-SNVBAGLBSA-N 318.276 1.775 10 10 DDCE C[C@H](CS(=O)(=O)NCc1ccc(N(C)C)cc1)C(N)=S 2166360774 QYHGGMPLUFWCMJ-SNVBAGLBSA-N 315.464 1.094 10 10 DDCE CO[C@@H]1COCC[C@H]1CC(=O)NCc1ccc(N(C)C)c(F)c1 822862721 KXFYQMZITZCHRS-XJKSGUPXSA-N 324.396 1.950 10 10 DDCE CC[C@H](CO)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 588385574 OUVRSWGCDODKFW-GTBONMDNSA-N 304.390 1.424 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CCC[C@@]12CCNC2 903870602 NYSWZSPJBZBYSI-SFHVURJKSA-N 301.434 1.851 10 10 DDCE O=C(/C=C\Cn1cncn1)NCCCSc1nccs1 900682844 JHUUZEWGDUZEEK-IWQZZHSRSA-N 309.420 1.589 10 10 DDCE CC[S@@](=O)CCNC(=O)NCc1ccc(N(C)C)c(F)c1 735108699 XJELATIKIMWNIO-OAQYLSRUSA-N 315.414 1.460 10 10 DDCE O=C(c1cc(O)cs1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 731866388 HEBDZQQFRNAGCZ-LLVKDONJSA-N 324.402 1.165 10 10 DDCE CCON(C)C(=O)CNC(=O)N(C)Cc1ccc(N(C)C)cc1 845568735 CLOPBHLOWIAIGI-UHFFFAOYSA-N 322.409 1.304 10 10 DDCE COc1cccc(CNC(=O)NC2CCC(C(N)=O)CC2)c1O 747585374 ZPSCGTWCVJBSJJ-UHFFFAOYSA-N 321.377 1.244 10 10 DDCE Cc1ccc(C(=O)N2CCC(Cn3cnnc3)CC2)c(O)c1O 846473444 HJSFBRDOXRYVLE-UHFFFAOYSA-N 316.361 1.550 10 10 DDCE COCc1cc(O)ccc1NS(=O)(=O)C[C@H](OC)C1CC1 842585521 BPLZYMREYMKOSU-AWEZNQCLSA-N 315.391 1.705 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCNC[C@](C)(F)C2)c1O 843125020 LHJOVUNOKJBCLR-AWEZNQCLSA-N 313.329 1.442 10 10 DDCE Cc1nn(C)c(C)c1S(=O)(=O)NCc1c(O)cccc1F 921452712 XJECJHTUJQKRAI-UHFFFAOYSA-N 313.354 1.360 10 10 DDCE Nc1ccc(NC(=O)N2CCC3(CCNC(=O)O3)CC2)cc1 926140537 BCBFGVOTJRRPKZ-UHFFFAOYSA-N 304.350 1.765 10 10 DDCE CCOC[C@@H](C)CS(=O)(=O)NCc1c(O)cccc1F 921452546 SAMBIHVETAGGLF-SNVBAGLBSA-N 305.371 1.623 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CCc3nc[nH]n3)C2)cc1 855232082 QMEZBHQNEOOEOG-LBPRGKRZSA-N 315.377 1.141 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)CC2CN(C)C2)c([N+](=O)[O-])c1 853825801 VQERODMHSQKLOC-FNORWQNLSA-N 319.361 1.779 10 10 DDCE COc1ccc(N2CC[C@H](Nc3cncc4ncnn34)C2)cc1 853759628 YLEDUFQSRXENED-LBPRGKRZSA-N 310.361 1.824 10 10 DDCE COc1cccc(OC(F)(F)F)c1C(=O)OCC(=O)C(C)=O 850294286 DYTCGTOUYPLMGF-UHFFFAOYSA-N 320.219 1.909 10 10 DDCE CCN1OC[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1=O 851717010 UGKIJSZROJZZFC-INIZCTEOSA-N 319.405 1.117 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@]3(O)CCSC3)C2)cc1 855233701 KWQQPRKZXKFWBV-LRDDRELGSA-N 322.430 1.258 10 10 DDCE CC(=O)C(=O)COC(=O)/C=C/c1ccc(C(=O)OC(C)(C)C)o1 873475425 ZXFHWDNFCWLIOS-SOFGYWHQSA-N 322.313 1.949 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC1(c2nn[nH]n2)CCCC1 779518657 LMIJCCPEIQWUGI-XQRVVYSFSA-N 315.333 1.210 10 10 DDCE C[C@H](NC[C@@H](O)COC[C@H]1CCCO1)c1ccc(N(C)C)cc1 775835239 SSAQQMOIPMRPRV-BMGDILEWSA-N 322.449 1.960 10 10 DDCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC[C@](C)(O)CO)c1 798264634 MXUCRSPOIFGZKA-SFHVURJKSA-N 316.401 1.876 10 10 DDCE COc1ccc(CNC(=O)Cn2cnc3c2CCCC3)c(O)c1 794377766 VUGHNYSCEIJYNK-UHFFFAOYSA-N 315.373 1.793 10 10 DDCE CN(C)C[C@@H](O)CN(C)c1ccc(CO)c(Br)c1 690303882 PCZKGYFDSPVCAY-GFCCVEGCSA-N 317.227 1.300 10 10 DDCE CNC(=O)[C@@]1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1156084622 NIZKONXYUMUGDY-HNNXBMFYSA-N 317.349 1.447 10 10 DDCE Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(N)=O)C2)c(O)c1O 1157463082 FTYWIUPDXPTVQF-QFYYESIMSA-N 304.346 1.134 10 10 DDCE CN(CCc1ncon1)C(=O)c1ccc(N=NC(N)=O)cc1 1304029994 PAMOFFWJXXNFNG-UHFFFAOYSA-N 302.294 1.547 10 10 DDCE Cn1cc(-c2n[nH]cc2C(=O)NCc2cccc(O)c2O)cn1 1176566228 SDQBULUOZVCOLC-UHFFFAOYSA-N 313.317 1.151 10 10 DDCE CS(C)(=O)=NCCNCc1ccc(Br)cc1O 1913529367 FSNILMPTEPDHOS-UHFFFAOYSA-N 321.240 1.972 10 10 DDCE NC(=O)c1ccc(CCC(=O)NCc2cc(O)ccc2O)cc1 1471662074 MTIPERLESXYMSO-UHFFFAOYSA-N 314.341 1.446 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)cnc1O 1624955296 WTYGTTLWVXVOHY-QMMMGPOBSA-N 306.293 1.699 10 10 DDCE CCOCC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1 1480610546 HALMZQDRJHXJQV-HNNXBMFYSA-N 306.406 1.731 10 10 DDCE CC(C)(CCN1CCOCC1)NC(=O)Cc1ccc(O)c(O)c1 1633545708 JVCMNJTZQAFKCG-UHFFFAOYSA-N 322.405 1.257 10 10 DDCE NC(=O)c1ncccc1C(=O)NCc1cc(Cl)ccc1O 1639965128 DVEMSOOGDPAJEK-UHFFFAOYSA-N 305.721 1.470 10 10 DDCE C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1c(O)cccc1O 1645360838 LNQNIXSZKDWNMJ-VXGBXAGGSA-N 309.362 1.688 10 10 DDCE O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCNC1 165418742 RKKUGCDYTYWNII-HNNXBMFYSA-N 319.474 1.856 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCN=[N+]=[N-])[C@@H](F)C1 1885563405 UIDCTFXQGVAUDD-BDAKNGLRSA-N 301.322 1.618 10 10 DDCE COc1cc(Cl)cc(CN2C[C@@H](OC)C[C@@H]2CN)c1O 2146878281 AUPQPDBKZGJDRY-NEPJUHHUSA-N 300.786 1.602 10 10 DDCE NCc1ccc(N2C[C@H]3C[C@@]3(CO)C2)c(F)c1Br 2029643004 DRQBETWULPMSBN-RNCFNFMXSA-N 315.186 1.866 10 10 DDCE CN=c1[nH]cc(Br)c(=NCc2ccccc2O)[nH]1 2053438157 DHWXRIQFUZPADU-UHFFFAOYSA-N 309.167 1.442 10 10 DDCE NC[C@@H]1C[C@@H](O)CN1Cc1cc(Br)cc(F)c1O 2060808322 VUWRELQFMLWFOO-VHSXEESVSA-N 319.174 1.188 10 10 DDCE CN(c1ccc(CO)cc1Cl)[C@H]1CS(=O)(=O)C1(C)C 2097548764 KMZOXBHWGZHBFX-LBPRGKRZSA-N 303.811 1.844 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ncncc1Br 2230072617 DLZIEGKEBISKTG-UHFFFAOYSA-N 324.134 1.832 10 10 DDCE Cc1ccc(CN(C)C[C@@H](O)CO)c(O)c1Br 2307472845 WRFWOMUCZIDPJN-SNVBAGLBSA-N 304.184 1.248 10 10 DDCE C[C@H](NCc1ccccc1O)c1ccc(S(N)(=O)=O)cc1 36954852 XKFWLAKTZOINFH-NSHDSACASA-N 306.387 1.890 10 10 DDCE CNS(=O)(=O)c1ccccc1N(C)Cc1ccc(N)cc1 37672637 LMCAKEFDHBIFRP-UHFFFAOYSA-N 305.403 1.813 10 10 DDCE C[C@@H]1CCCN(S(=O)(=O)NCCOc2ccc(N)cc2)C1 38079619 QIGXHRIVZCLYEB-GFCCVEGCSA-N 313.423 1.214 10 10 DDCE CC(C)(CNCc1cc2c(cc1O)OCO2)C(=O)N1CCCC1 527807992 FDFPLBXUKWKRPF-UHFFFAOYSA-N 320.389 1.859 10 10 DDCE Cn1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1=O 266540194 KQOOEMODIJTTMU-UHFFFAOYSA-N 312.369 1.900 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@]3(CNC(=O)C3)C2)c1O 366029648 WLQPAUHDYNDZLD-HNNXBMFYSA-N 321.333 1.021 10 10 DDCE COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1 271099446 OPIRTUPCFZGWFM-MRVPVSSYSA-N 314.725 1.949 10 10 DDCE CCOC(=O)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 391230015 WIWIKRHWMKDHHA-HNNXBMFYSA-N 322.405 1.131 10 10 DDCE COc1cc([N+](=O)[O-])cc([C@H](C(F)F)N2CCOCC2)c1O 575294180 NPCYDTWBDNWETK-LLVKDONJSA-N 318.276 1.947 10 10 DDCE COc1cc(O)c(CN2CCO[C@@H](C(=O)C3CC3)C2)cc1OC 811502022 GRJWWZGVVLTLPD-MRXNPFEDSA-N 321.373 1.589 10 10 DDCE CCOC(=O)[C@H](F)[C@H](N)c1c(Br)ccc(N)c1O 725274807 HKRMCCNVLZKWLR-RKDXNWHRSA-N 321.146 1.638 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1COCCO1 827337167 SUFDPLDNCIEBJZ-QGZVFWFLSA-N 306.406 1.370 10 10 DDCE COc1ccc(N(C)C(=O)c2c[nH]nc2[C@@H]2CCNC2)cc1F 662638883 XNBXQPHRPOFCSE-SNVBAGLBSA-N 318.352 1.911 10 10 DDCE C[C@@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCOC1=O 908292491 IMCBKCWPSCWNFP-CQSZACIVSA-N 307.327 1.748 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](O)C(C)(C)O 910557749 IXKRYCJISOMONE-WFASDCNBSA-N 308.422 1.240 10 10 DDCE CC[C@@H](C(=O)O)N(C)Cc1ccc(N2CCOCC2)c(F)c1 844938006 SKNUAWUSCJHIDT-AWEZNQCLSA-N 310.369 1.957 10 10 DDCE COc1ccc(O)c([C@H](C)NS(=O)(=O)[C@H]2CCCNC2)c1 923615413 KOZXQNKNMLUYRF-JQWIXIFHSA-N 314.407 1.133 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cnnc(O)c3)C2)cc1 855227308 VAJNMBWROAWAAE-GFCCVEGCSA-N 314.345 1.200 10 10 DDCE COc1cccc(CNCCC2(CS(C)(=O)=O)CC2)c1O 850341511 CENHDFIZFSRWLB-UHFFFAOYSA-N 313.419 1.705 10 10 DDCE Cn1ccnc1CNCc1ccc(N2CCC(O)CC2)cc1 850406104 RUUSFEDBNHZAMZ-UHFFFAOYSA-N 300.406 1.671 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@H](O)C3)C2)cc1 854299552 PGACXISWFXUEHY-HIFRSBDPSA-N 319.405 1.440 10 10 DDCE CCN(CCOC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854298186 XVVFSZCAFWAJPI-AWEZNQCLSA-N 321.421 1.952 10 10 DDCE CN1C(=O)CN(C(=O)OC(C)(C)C)C[C@H]1Cc1ccc(N)cc1 1952854064 PSKZNQNRKHESSF-CQSZACIVSA-N 319.405 1.889 10 10 DDCE CCOCCONC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852257009 MDSUDUJPSPOHDD-ZDUSSCGKSA-N 323.393 1.541 10 10 DDCE COC(=O)C[C@H](CNC(=O)NCCc1ccc(N)cc1)C1CC1 851665031 OKTIWWTVWWNPLU-CQSZACIVSA-N 319.405 1.700 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@](C)(O)C3CC3)C2)cc1 855225356 KJDRVADSFVZMGU-GUYCJALGSA-N 304.390 1.551 10 10 DDCE COc1cc(N(C)C[C@H]2CCC3(CNC3)O2)cc(OC)c1OC 852746489 LVEKJNPLKBDKCU-CYBMUJFWSA-N 322.405 1.670 10 10 DDCE Cc1nc(N)nc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 865469632 QIJGOZUZHVUPDN-NSHDSACASA-N 314.393 1.772 10 10 DDCE CSCC[C@@H]1NC(=O)N(CCCOc2ccc(N)cc2)C1=O 57849721 IQQILJJUFHJYLL-ZDUSSCGKSA-N 323.418 1.711 10 10 DDCE COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(F)cc(F)c1O 895867611 WYRGGSSTGMRURB-DGCLKSJQSA-N 315.316 1.871 10 10 DDCE C[C@H](N)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1Cl 78927746 KOIXQFAKVHTYKW-JTQLQIEISA-N 317.842 1.441 10 10 DDCE C[C@H](NCc1cc(Cl)cc(Br)c1O)[C@H](O)CO 708178457 PWVMVXSOTBFSLE-QUBYGPBYSA-N 324.602 1.639 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1cnn2c1CCCC2 1156897027 GTPBQSWERFIORI-UHFFFAOYSA-N 301.346 1.490 10 10 DDCE Nc1ccc(OCC(=O)Nc2cnc(Br)nc2)cc1 2118287496 YEKFAFICFQOOTD-UHFFFAOYSA-N 323.150 1.839 10 10 DDCE C[C@H](CNC(=O)C(=O)N(C)Cc1ccccc1O)CC(F)F 1326138061 GZBCBTAXKJUVAY-JTQLQIEISA-N 314.332 1.758 10 10 DDCE COc1ccc(CNCCCN(C)C(=O)[C@H](C)OC)cc1C 1268779988 JNWUPOLVKSPBEN-AWEZNQCLSA-N 308.422 1.977 10 10 DDCE Cn1nc(C(=O)NCc2ccc(O)c(O)c2)cc1C(F)(F)F 1465953827 JOWFOXVMGSSTJT-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE C[C@@H]1CCCC[C@H]1NC(=O)CCN1C(=O)CSC1=S 1865765168 SVZNRURXWUKVNX-NXEZZACHSA-N 300.449 1.932 10 10 DDCE CN(C)c1nc(CNC(=O)Cc2ccc(O)c(O)c2)cs1 1629223177 HESYQGNCURIRKH-UHFFFAOYSA-N 307.375 1.479 10 10 DDCE CN(C)C(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1624680376 GLVKAIZCBRWQQZ-UHFFFAOYSA-N 314.341 1.981 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2ccc(-n3cnnn3)cn2)c1 1557552479 KHDBYLOZPLQWGF-UHFFFAOYSA-N 310.317 1.001 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc2[nH]nnc12 1638347705 KBKVSCPCYKQVOB-QMMMGPOBSA-N 313.317 1.125 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1Cn1cncn1 1597091913 BDSBUPQWFPRDNK-UHFFFAOYSA-N 324.340 1.919 10 10 DDCE CCCN(Cc1ccc(F)cc1O)[C@H]1CCS(=O)(=O)C1 1964539275 YOWYMNXJJVNGNE-ZDUSSCGKSA-N 301.383 1.930 10 10 DDCE CC(C)(C)OC(=O)N1CCOCCN1Cc1cc(N)ccc1O 1977912380 AUJONXZUVMWFAV-UHFFFAOYSA-N 323.393 1.959 10 10 DDCE C[C@@H](NCc1cc(F)cc(F)c1O)[C@H]1CCS(=O)(=O)C1 2146102481 GCPDTZCUFFUNQD-BDAKNGLRSA-N 305.346 1.583 10 10 DDCE O=S(=O)(Nc1ccc(O)c(C(F)(F)F)c1)c1cc[nH]n1 2152905851 AQMQPROELPRFJH-UHFFFAOYSA-N 307.253 1.935 10 10 DDCE NCc1ccc(N2CC[C@H](O)[C@H](F)C2)c(F)c1Br 2027987685 YCJNJHVQCWIRJT-SCZZXKLOSA-N 321.165 1.956 10 10 DDCE COc1ccc(O)c(CN=c2cc(Br)n(C)[nH]2)c1 2038251300 SOCBSFXFHRNJKQ-UHFFFAOYSA-N 312.167 1.931 10 10 DDCE Cn1[nH]c(CNCc2cc(Br)ccc2O)cc1=O 391438039 KYXQTHYUQCBWQG-UHFFFAOYSA-N 312.167 1.471 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@](C)(O)CC3)c2n1 2063465936 OVAFPVRCVOHYFI-HNNXBMFYSA-N 304.350 1.120 10 10 DDCE CC(C)S(=O)(=O)C[C@H](C)N[C@@H](C)c1c(O)cccc1O 2170584908 GQBURAXOBWHTJD-QWRGUYRKSA-N 301.408 1.960 10 10 DDCE CC(C)O[C@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@H]1CN=[N+]=[N-] 2179601428 CCYGFIRUZQGISC-SRVKXCTJSA-N 302.400 1.352 10 10 DDCE COC(=O)[C@@H](C)CS(=O)(=O)Nc1cc(C)c(O)cc1C 2183507412 XMAKQRIADHDRLG-JTQLQIEISA-N 301.364 1.560 10 10 DDCE C[C@H](c1ccccc1O)N(C)C(=O)N[C@@H](C)S(C)(=O)=O 2203036364 SXUHLRHURGCTOH-NXEZZACHSA-N 300.380 1.485 10 10 DDCE FC(F)Cn1nnnc1Sc1ncc(CNC2CC2)s1 2234020666 WAUYFVYEFAYHDL-UHFFFAOYSA-N 318.378 1.798 10 10 DDCE COc1ccccc1N1C(=O)C(=CNC2CC2)C(=O)NC1=S 2296936012 UQGAFPCZVGFSHB-UHFFFAOYSA-N 317.370 1.079 10 10 DDCE Cc1ccc(CN(C)[C@@H]2CNOC2)c(O)c1Br 2307570332 KBORQMIOLAGSHR-SNVBAGLBSA-N 301.184 1.798 10 10 DDCE C[C@@](Sc1nccs1)(C(=O)O)C1CCS(=O)(=O)CC1 2351875255 QYBQSFWSRTXNBV-NSHDSACASA-N 321.445 1.903 10 10 DDCE [N-]=[N+]=NCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1F 42013282 SXQLCTSFYBWGRZ-UHFFFAOYSA-N 321.265 1.852 10 10 DDCE CN(Cc1ccccc1O)C(=O)NCCCN1CCCC1=O 42877767 GEFMIFYZJNLVMM-UHFFFAOYSA-N 305.378 1.546 10 10 DDCE CN[C@@H](COC)c1cc(I)ccc1O 1951856694 RIEYWKVRYZZKOO-VIFPVBQESA-N 307.131 1.904 10 10 DDCE CCOC(=O)CC[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 272719175 ZDMUBODRIGUYGB-LXSSAFMLSA-N 307.346 1.959 10 10 DDCE COc1cc(N2[C@H]3CC[C@H]2[C@H](CO)C3)c([N+](=O)[O-])cc1OC 290677350 KZNWNLUDXYHQTM-DCAQKATOSA-N 308.334 1.962 10 10 DDCE COC[C@H](CCCN)N[C@@H](C)c1ccc(N2CCOCC2)cc1 817891689 NJTRAFVCZXIHID-RDJZCZTQSA-N 321.465 1.928 10 10 DDCE CCOc1ccc(CN2CCC[C@@]2(COC)C(=O)OC)c(O)c1 827489835 WCHOPGFHBDIVAE-QGZVFWFLSA-N 323.389 1.945 10 10 DDCE CN1CCN(C)CC(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 906454853 SRMNUYWRERFZOK-UHFFFAOYSA-N 322.428 1.001 10 10 DDCE N=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CCCO1 848991240 PYWDSHZCOGYZMQ-INIZCTEOSA-N 318.421 1.316 10 10 DDCE C[C@@H](NC(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1O 926677494 PNBBQHLMAGEOGO-FJJYHAOUSA-N 306.362 1.556 10 10 DDCE Cc1cc(C)c([C@H](C)NC[C@]2(OCCO)CCOC2)c(O)c1 850507051 HURCKGXNDAEAHM-WMLDXEAASA-N 309.406 1.828 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)cc1 855227223 WPMQEWHMAKYVAM-YYQUZTFQSA-N 316.401 1.958 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc([C@@]2(N)C[C@H]2C(=O)O)c1O 1952996157 NCJCQYWMZMCJKW-VFZGTOFNSA-N 308.334 1.998 10 10 DDCE CC[C@@H](NCc1nnn[nH]1)c1cc(Br)ccc1O 44927901 CHCRTXIBNCYXOI-SECBINFHSA-N 312.171 1.909 10 10 DDCE O=S(=O)(c1cn2c(n1)CCCC2)N1Cc2cccc(O)c2C1 867691492 XRACHWTXYRPBFU-UHFFFAOYSA-N 319.386 1.630 10 10 DDCE CCN(CC)c1ccc(CN(C)C(=O)CCc2nn[nH]n2)cc1 864636274 DKZSWAZGSXKSMA-UHFFFAOYSA-N 316.409 1.637 10 10 DDCE CCO[C@@H]1COCC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1 866757083 IXIKPEOJAZOKJJ-CZUORRHYSA-N 323.389 1.588 10 10 DDCE C[C@H]1CN(Cc2c(O)cccc2Br)CC(=O)N1C 862355412 FSSWBPNAUGDTDF-VIFPVBQESA-N 313.195 1.817 10 10 DDCE Cc1cc(N(C)C)ccc1CNC[C@H](O)CC1(O)CCOCC1 872201991 PNFYFVGTHJSCNG-QGZVFWFLSA-N 322.449 1.443 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3[C@@H]4CCCO[C@@H]43)CC2)cc1 779718310 LHMCABJKWAIMKE-BBWFWOEESA-N 316.401 1.769 10 10 DDCE Oc1cc2c(cc1CNC[C@@H](O)Cc1ccccc1F)OCO2 886234433 OBWPYXCFJYKQBV-ZDUSSCGKSA-N 319.332 1.953 10 10 DDCE CN(CCn1cnnc1)c1ccc(CO)cc1Br 708262236 GIHRJXRCMGAEMT-UHFFFAOYSA-N 311.183 1.669 10 10 DDCE COc1nscc1S(=O)(=O)Nc1ccc(O)cc1F 714386129 CBAOFEZXJPTKRI-UHFFFAOYSA-N 304.324 1.797 10 10 DDCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1cc(Br)cs1 85224621 ZMYBSPIIHUYQBE-SSDOTTSWSA-N 304.173 1.937 10 10 DDCE CCOC(=O)CCS(=O)(=O)Nc1ccc(O)cc1Cl 85205224 SLZWUOKTGQPGHB-UHFFFAOYSA-N 307.755 1.741 10 10 DDCE Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1c(O)cccc1F 1178413622 VGQLLJLSPOZWLC-UHFFFAOYSA-N 308.269 1.261 10 10 DDCE O=C(NCCC1SCCS1)c1cc(O)c(O)c(O)c1 2132351244 VRXABBSDYAMAPM-UHFFFAOYSA-N 301.389 1.729 10 10 DDCE [N-]=[N+]=NCC1CCN(C(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 1912181018 JEKSSBZWIOXRSI-LLVKDONJSA-N 300.384 1.360 10 10 DDCE C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCc3ccc(O)c(O)c3)CN2C1 1521265894 JWCDBGJEEHMBEP-SNPRPXQTSA-N 318.417 1.877 10 10 DDCE CCONC(=O)CNC(=O)c1cc2cc(O)c(O)cc2s1 1628455582 JEWWWUIPCABMFJ-UHFFFAOYSA-N 310.331 1.110 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2cnc(C)[nH]2)cc1C 1714221781 YPBAPWTUNQYOES-LBPRGKRZSA-N 316.405 1.943 10 10 DDCE CO[C@H]1COCC[C@H]1N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1636779800 SMLCWFJQLZUCJO-OLZOCXBDSA-N 320.349 1.725 10 10 DDCE C[C@@H](O)CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)CO 1638580581 MWXBIKWIUMOLES-NXEZZACHSA-N 308.338 1.053 10 10 DDCE COC(=O)c1cc(NC(=O)c2c(F)ccc(O)c2O)cn1C 1654383611 ZSBNQOLZXRMEIA-UHFFFAOYSA-N 308.265 1.614 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCc2nonc2C)c1 1687479007 KTCCHLOTFDRUNP-MRVPVSSYSA-N 306.322 1.653 10 10 DDCE CCOc1cccc(CNCC(=O)N=c2cc[nH]c(C)c2)c1O 1857856617 GGFGXEOTKHSCSK-UHFFFAOYSA-N 315.373 1.645 10 10 DDCE O=C1Nc2cc(N3C[C@H](O)C(F)(F)C3)c(Cl)cc2[C@H]1O 2152094928 UWXYJLCCUYOYGM-VHSXEESVSA-N 304.680 1.142 10 10 DDCE COC(=O)CS(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2152906818 KNZWTNVYEBJCJG-UHFFFAOYSA-N 313.253 1.326 10 10 DDCE CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1cc(F)ccc1O 2152913590 SIZKHAVUPGOUMB-GXTWGEPZSA-N 301.383 1.977 10 10 DDCE Oc1ccc(Br)cc1CNC[C@@H](O)c1cnc[nH]1 2028279350 DDIYKUABLQTTBX-GFCCVEGCSA-N 312.167 1.701 10 10 DDCE NCc1ccc(N2C[C@H](CO)C[C@H]2CO)cc1Br 2029383351 DRZTXUWPPPXOEW-SKDRFNHKSA-N 315.211 1.087 10 10 DDCE Cn1[nH]c(=NC(=O)Nc2ccc(N)cc2)cc1Br 2038257466 OHXBGUYOADUYLM-UHFFFAOYSA-N 310.155 1.831 10 10 DDCE C[C@H](N)c1ccc(N2CCOC[C@H](O)C2)c(Br)c1 399840243 BUXINJBDBZEFDT-GXSJLCMTSA-N 315.211 1.666 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H](C)c3cnn(C)c3C)c2n1 2062238736 YAASUKMKKFHNLT-SECBINFHSA-N 314.349 1.276 10 10 DDCE COCCN1CCN(c2cc(Cl)c(CN)cc2F)CC1 2177386060 VJZNLGOTTVEZHK-UHFFFAOYSA-N 301.793 1.706 10 10 DDCE Oc1cccc(Br)c1CNC1CN(C2COC2)C1 2051487362 NICHSCULGVPFRW-UHFFFAOYSA-N 313.195 1.327 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC[C@@H]2C[C@@H]2CF)cc1 2191352422 GBCVKQJMOZPIPA-MNOVXSKESA-N 302.371 1.173 10 10 DDCE Oc1cccc(Br)c1CN[C@@H]1CCn2ncnc2C1 2108928373 UNGFDHFQFLRHON-SECBINFHSA-N 323.194 1.851 10 10 DDCE CC1([C@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)OCCO1 2089570669 WNBBEJSJLFAGME-LLVKDONJSA-N 308.334 1.251 10 10 DDCE CC[C@@H](O)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1 2206686435 GYLZWTFTDATVAU-GFCCVEGCSA-N 305.346 1.956 10 10 DDCE COC(=O)C1(NCc2cc(Br)ccc2O)CC1 2248233082 NBWOUTKZXNWNAJ-UHFFFAOYSA-N 300.152 1.950 10 10 DDCE COCCN(C[C@@H](C)O)c1ccc(CO)cc1Br 2259669547 PLAPDHIENRCLGF-SNVBAGLBSA-N 318.211 1.775 10 10 DDCE CSc1ncc(CNC(=O)N2[C@@H](C)C[C@@H]2C(=O)O)s1 2269134794 QCOYDFBLRXFFJW-POYBYMJQSA-N 301.393 1.622 10 10 DDCE CN1C(=O)C(=CC=Cc2ccc([N+](=O)[O-])o2)C(=O)N(C)C1=O 2297577909 JNKFXWGSRNPXPU-UHFFFAOYSA-N 305.246 1.178 10 10 DDCE COC[C@H](CN)N(C)Cc1ccc(C)c(Br)c1O 2327596649 NKYUESTYLZWBRW-NSHDSACASA-N 317.227 1.869 10 10 DDCE CSc1ncc(CN[C@](C)(C(=O)O)[C@@H]2CCCN2)s1 2349501817 PCWPTNBNPCWSOJ-CABZTGNLSA-N 301.437 1.550 10 10 DDCE CSc1ncc(CN[C@@](C)(C(=O)O)[C@@H](N)C(C)C)s1 2350655670 PCHSNPGHZQZFKN-JOYOIKCWSA-N 303.453 1.781 10 10 DDCE 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CSODYAOEULOISY-GXFFZTMASA-N 316.195 1.906 10 10 DDCE N[C@H](CO)c1ccc(N2CCOCC2)c(Br)c1 72199775 LYCGBOCTMHSCQH-LLVKDONJSA-N 301.184 1.278 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC2CC(F)(F)C2)cc1 697540010 DBHDFXKTCRCXRI-UHFFFAOYSA-N 306.334 1.365 10 10 DDCE Cc1cc(O)c([C@H](C)n2ncc(S(C)(=O)=O)c2O)cc1C 2070258926 RFYNJKWNGHQHOY-JTQLQIEISA-N 310.375 1.924 10 10 DDCE CC[C@@H](O)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1 2206681294 GYLZWTFTDATVAU-GFCCVEGCSA-N 305.346 1.956 10 10 DDCE O=S(=O)(CCNCc1cc(F)cc(F)c1O)C(F)F 2224293716 PYAONXLEUUADOM-UHFFFAOYSA-N 301.261 1.397 10 10 DDCE NCCc1cnc(Sc2nnnn2CC(F)(F)F)s1 2225653856 LMGYUQZWKXITHN-UHFFFAOYSA-N 310.330 1.344 10 10 DDCE C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1Cc1ccc(F)cc1O 2279357718 ZWBNCNGODJOIFV-ZWNOBZJWSA-N 301.383 1.929 10 10 DDCE COCCCCS(=O)(=O)CCCOc1ccc(N)cc1 2287537034 RTVQXOUAUGKNDJ-UHFFFAOYSA-N 301.408 1.879 10 10 DDCE Cc1nn(C)cc1C=C1SC(=S)N(CCC(=O)O)C1=O 2297506126 NMONGIIGCCYFRJ-UHFFFAOYSA-N 311.388 1.404 10 10 DDCE Cc1ccc(CNC(=O)[C@@]2(N)C[C@H]2C)c(O)c1Br 2327595783 HXRALRMWZWQYIO-AMIZOPFISA-N 313.195 1.817 10 10 DDCE Cc1ccc(CNC[C@@H]2COCCN2)c(O)c1Br 2327625739 GFFHOOZZZKMKNN-LLVKDONJSA-N 315.211 1.541 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(CC(=O)O)c(C)s1 2339782065 QPPVAMNDMPXWIE-UHFFFAOYSA-N 307.397 1.077 10 10 DDCE CC[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 129575658 HPWXJQLIOFVXJT-VIFPVBQESA-N 307.306 1.541 10 10 DDCE CCN(CCCN[C@@H](C)c1cc(O)ccc1O)S(C)(=O)=O 38035356 DGYJSYJYNLNEKS-NSHDSACASA-N 316.423 1.420 10 10 DDCE COCC[C@@H](COC)NCc1ccc(N2CCOCC2)cc1 319646183 CQIMRQFWINPHPT-INIZCTEOSA-N 308.422 1.664 10 10 DDCE CCN1CCC[C@@H]1CNC(=O)NCc1cc(OC)ccc1O 74261871 SCNMGSODKWBIIW-CYBMUJFWSA-N 307.394 1.684 10 10 DDCE COCCn1cc(NS(=O)(=O)Cc2ccc(N)cc2)cn1 49541890 KSIXKDLWOLJITN-UHFFFAOYSA-N 310.379 1.054 10 10 DDCE COC(=O)/C=C\c1ccc(N(CCO)C2CC2)c([N+](=O)[O-])c1 255887602 QTHSMXKGNZHJNW-CLTKARDFSA-N 306.318 1.742 10 10 DDCE COCC[C@@H](COC)N1C(=O)CN(Cc2ccccc2O)C1=O 819170141 WQPMHQKNGIAING-ZDUSSCGKSA-N 322.361 1.208 10 10 DDCE COCCn1cc(NC(=O)NCc2c(O)cccc2F)cn1 902944784 MNULNVAETRYKDL-UHFFFAOYSA-N 308.313 1.696 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1nnn(C)c1C(F)(F)F 906991295 MABXIGMHGDIYKW-UHFFFAOYSA-N 314.267 1.812 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)C[C@H](O)C2CC2)c([N+](=O)[O-])c1 751110596 BTAHSEYHIBSPBG-UVCVVPOWSA-N 320.345 1.988 10 10 DDCE COc1ccc(N2CC[C@@H](Nc3ccc4nnnn4n3)C2)cc1 853759424 UNAQLNKHBRPALA-LLVKDONJSA-N 311.349 1.219 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H](O)C(C)(C)C)C2)cc1 855233755 MIHFTCVCULTFMQ-WFASDCNBSA-N 306.406 1.797 10 10 DDCE COc1ccc(N2CC[C@H](NC3CCN(OC)CC3)C2)cc1 926680816 RXWYKUQAUOGUNV-HNNXBMFYSA-N 305.422 1.889 10 10 DDCE COc1cccc(CNC(=O)NCC[C@@H]2CC(=O)N(C)C2)c1O 924743370 NORBVFKDTJKHRY-LLVKDONJSA-N 321.377 1.068 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 1952913158 HHAUNHWZUXVCOS-ONGXEEELSA-N 324.377 1.450 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3c[nH]ccc3=N)C2)cc1 852900893 UXDVBIRIFNARBM-LBPRGKRZSA-N 312.373 1.511 10 10 DDCE C[C@@H]1C[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)[C@@H](C)O1 865315075 HHKSXTDDMJXUCD-WZRBSPASSA-N 304.346 1.722 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCc2nncn2C1 935945689 HABZLGLRBBPOJL-NSHDSACASA-N 321.377 1.348 10 10 DDCE Cc1nn(CC(=O)NCc2c(O)ccc3c2CCCC3)c(=O)o1 878986821 YAQXZKOJWMTXIQ-UHFFFAOYSA-N 317.345 1.046 10 10 DDCE CNC(=O)CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C 771949287 AGCQSPVOVHZOBF-UHFFFAOYSA-N 313.401 1.889 10 10 DDCE CC(C)(CNCc1cccc(Br)c1O)C(N)=O 101593187 FRKJVZXGDVWMPD-UHFFFAOYSA-N 301.184 1.756 10 10 DDCE CN(Cc1ccccc1)C[C@@H](N)C(=O)NCc1ccccc1O 702368168 GQMJXFFIRBBMCZ-MRXNPFEDSA-N 313.401 1.468 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc(-n2cncn2)nc1 1304051012 RLCXBHZHEDOAAT-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE C[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C 1164261896 DOXUWYXTBPFYTO-LPEHRKFASA-N 317.349 1.587 10 10 DDCE O=C(NCc1cccc(Cl)c1O)[C@H]1CCCn2ncnc21 1180420827 QAHYUYICMWNYAS-JTQLQIEISA-N 306.753 1.831 10 10 DDCE CON1CCC(N(C)C(=O)/C=C\c2ccc(O)c(O)c2)CC1 1468784874 BBVUAEHJMHYFCM-XQRVVYSFSA-N 306.362 1.595 10 10 DDCE COC[C@@]1(CO)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1468146273 XBAGUBWBMFWCIN-HNNXBMFYSA-N 320.349 1.320 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC(n2cncn2)C1 1614580880 FWBMCSUIRQPFRM-UHFFFAOYSA-N 316.342 1.601 10 10 DDCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC(CO)(CO)C2)cc1 1471784571 BBOYKNYQKRAAPV-UHFFFAOYSA-N 314.385 1.521 10 10 DDCE Cn1cnnc1-c1cncc(NC(=O)c2cc(O)cs2)c1 1637757401 COLYGRMPYQELNP-UHFFFAOYSA-N 301.331 1.897 10 10 DDCE Cc1nc([C@@H]2CCN(C(=O)c3ccc(C)c(O)c3O)C2)n[nH]1 1630100530 NCEJNWCFJJUNMN-SNVBAGLBSA-N 302.334 1.462 10 10 DDCE CN(C)C(=O)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1642634144 HAQZSXQMFDODPG-NSHDSACASA-N 317.349 1.399 10 10 DDCE Cc1ccc(NCCNC(=O)Cc2ccc(O)c(O)c2)nc1 1652431771 IXQIDTNENQPMJZ-UHFFFAOYSA-N 301.346 1.572 10 10 DDCE O=C(NCc1c(O)cccc1O)c1coc(C2CCOCC2)n1 1597574668 PWGPNTBOHVYDNZ-UHFFFAOYSA-N 318.329 1.910 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC1CCN(CC2CC2)CC1 1596680297 HUVLCSIVWWVPST-UHFFFAOYSA-N 304.390 1.631 10 10 DDCE CCCN(c1ccc(N)cc1)S(=O)(=O)NC(=O)OC(C)C 162784712 LTLXCORDMLIDOX-UHFFFAOYSA-N 315.395 1.865 10 10 DDCE CN(C)c1ccc([C@H](NS(C)(=O)=O)c2nccn2C)cc1 169813206 AEBOXKQJHLTMBY-ZDUSSCGKSA-N 308.407 1.125 10 10 DDCE C[C@H]1CO[C@H](CO)CN1c1ccc(CN)cc1C(F)(F)F 163733999 MHZNZLJKNNOQQT-ONGXEEELSA-N 304.312 1.750 10 10 DDCE COc1ccc(N2CCN(C(=O)/C=C/c3cncnc3)CC2)cc1 1866370573 GOZCBWXOIUCFKD-FARCUNLSSA-N 324.384 1.847 10 10 DDCE CCOc1cccc(CNCC(=O)N=c2cc[nH]cc2)c1O 1857856842 VGZBBSCEUBCVLE-UHFFFAOYSA-N 301.346 1.336 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@H](F)C2)c(Br)c1 1944294411 WVIWURLKRIAXDD-HNBZJPLGSA-N 303.175 1.988 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NCCN=[N+]=[N-] 1885561008 LLYNQDHCXNTBRA-SSDOTTSWSA-N 307.301 1.961 10 10 DDCE CN(C(=O)Cc1ccc(O)c(O)c1)C1CCC2(CC1)OCCO2 1963779608 SDJKTVKXWHBFLR-UHFFFAOYSA-N 321.373 1.784 10 10 DDCE Cc1[nH][nH]c(=NC(=O)OC(C)(C)C)c1C(=O)NCCCN=[N+]=[N-] 1985103191 RKRUIDCOAPXNET-UHFFFAOYSA-N 323.357 1.917 10 10 DDCE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N)cc1 1993282380 JIZDDNXOBGKIAB-GWCFXTLKSA-N 323.393 1.159 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CC(CCF)C2)cc1 2159106667 HBEQNCTUCVJSQQ-UHFFFAOYSA-N 302.371 1.269 10 10 DDCE OCc1ccc(N2C[C@H](F)[C@@H](CO)C2)cc1Br 2008020825 SONNXNBWEWUBMI-SKDRFNHKSA-N 304.159 1.708 10 10 DDCE O=C1Nc2cc(N3C[C@H](O)C(F)(F)C3)c(Cl)cc2[C@@H]1O 2152094927 UWXYJLCCUYOYGM-UWVGGRQHSA-N 304.680 1.142 10 10 DDCE O=C(Nc1cncc(Br)c1)c1cc(O)nc(O)c1 310599168 VYPJWRWPMHLLPC-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE C[C@@H](O)[C@@H](O)CNCc1cc(Cl)cc(Br)c1O 708055983 HYBYURCRYUSBPC-LDWIPMOCSA-N 324.602 1.639 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@H]1CCN2CCOC[C@H]12 2065141038 SWPLUBRFAYPWHQ-JKSUJKDBSA-N 318.417 1.852 10 10 DDCE CN1CCO[C@H](CN(C)c2cc(Cl)c(CN)cc2F)C1 2177382224 XSWMTTJQVLYMRQ-NSHDSACASA-N 301.793 1.705 10 10 DDCE Cn1c(Br)nnc1CNCc1cc(F)ccc1O 2057837322 WVSUFHQYLFHCLT-UHFFFAOYSA-N 315.146 1.712 10 10 DDCE NCc1ccc(N2CC[C@H]3CC(=O)N[C@@H]3C2)c(Br)c1 2088806099 LQRFIGBTAGETKS-CMPLNLGQSA-N 324.222 1.623 10 10 DDCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)c(Cl)c1 2205606948 DNNPCBYJSNZFMW-IHRRRGAJSA-N 302.777 1.329 10 10 DDCE CN(Cc1ccc(N)cc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 2244597532 ICIGGVWPKCNSEK-UHFFFAOYSA-N 321.421 1.682 10 10 DDCE CC(C)(CN)CNCc1cc(Br)c(O)cc1O 2248028909 QKJLXEOLQJQEGI-UHFFFAOYSA-N 303.200 1.935 10 10 DDCE COC(=O)C=Cc1ccc(N2CC[C@H](C)[C@H]2CO)c([N+](=O)[O-])c1 2311028566 SXMXFOJUJPRTPC-XHDPSFHLSA-N 320.345 1.988 10 10 DDCE Nc1cc(Cl)c(N2C(=O)[C@H]3CC[C@@H](O3)C2=O)c(Cl)c1 2328558028 AOWOMYYQRPMUPR-RKDXNWHRSA-N 301.129 1.996 10 10 DDCE COc1cccc(CNn2nnnc2Nc2ccccc2)c1O 1015139 UBFZMRWEONCSTC-UHFFFAOYSA-N 312.333 1.875 10 10 DDCE Nc1ccc(NC(=O)CSc2n[nH]c(=O)n2C2CC2)cc1 61594505 VCLODYHQAAFZOH-UHFFFAOYSA-N 305.363 1.219 10 10 DDCE Nc1ccc(NC(=O)c2c[nH]c(=O)c(Br)c2)cc1 178354054 QLDRAHCQOQEIRW-UHFFFAOYSA-N 308.135 1.972 10 10 DDCE COc1ccc([C@@H](C)NN(C)S(=O)(=O)C2CC2)c(O)c1 2365322279 ISWAFEHQNLNBDF-SECBINFHSA-N 300.380 1.390 10 10 DDCE CC[C@@H]1CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)CCN1C 221202053 WJTCGVOJJNXPKG-YMTOWFKASA-N 308.813 1.822 10 10 DDCE Oc1cc(I)ccc1[C@@H]1CNCCN1 95783627 QGVBJIKDMXSOPP-VIFPVBQESA-N 304.131 1.231 10 10 DDCE Oc1c(I)cccc1[C@H]1CNCCN1 95783429 IRLAZTBKUAZVBR-SECBINFHSA-N 304.131 1.231 10 10 DDCE Cc1cc(O)c(CN2CCC[C@@H](CS(N)(=O)=O)C2)cc1C 271190323 PFMITKKLKRTKDO-CYBMUJFWSA-N 312.435 1.510 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(N2CCCC2=O)ccc1Cl 808530756 DQSKWHYDSBISJU-UHFFFAOYSA-N 323.732 1.782 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCNC(=O)CC1 814818955 QWMARBHINGZFPV-CQSZACIVSA-N 303.406 1.627 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)CCNC(C)=O)c([N+](=O)[O-])c1 826648919 PAYKZUYBAINEEH-FNORWQNLSA-N 321.333 1.353 10 10 DDCE CN(C)c1ccc([C@H](N)CNCC2C[C@@H]3CC[C@H](C2)N3)cc1 903917073 KOEIWBREFQTXDM-NPVYPNSJSA-N 302.466 1.873 10 10 DDCE N=C(NCc1cc(Br)ccc1O)N1CCOCC1 849027863 MEDKQQGVBDAABH-UHFFFAOYSA-N 314.183 1.511 10 10 DDCE CCn1ncc(CNC(=O)NCc2ccc(N(C)C)cc2C)n1 858660734 JYVBHWOQDVPMHX-UHFFFAOYSA-N 316.409 1.672 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@H]2CCC[C@@H](C(N)=O)C2)c1O 775025160 UBCSSAYDKMAIFQ-KOLCDFICSA-N 323.349 1.443 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@@H]1CCCN1C(=O)C1CC1 1597574218 KOHGRFNTTHUXQU-LBPRGKRZSA-N 304.346 1.115 10 10 DDCE CN1C(=O)C(=Cc2cnc(-c3ccco3)s2)C(=O)N(C)C1=O 789126140 CPDCMZXSAFKULU-UHFFFAOYSA-N 317.326 1.837 10 10 DDCE CN1C[C@H](NCc2ccc(Br)cc2O)CCC1=O 701189928 CPSFXBZOJJCPGA-LLVKDONJSA-N 313.195 1.865 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc2nc(O)oc2c1 1304050451 NLHHKYDORNDOMR-UHFFFAOYSA-N 300.270 1.875 10 10 DDCE NC(=O)CC1(CNC(=O)NCc2cccc(Cl)c2O)CC1 1230249971 OEJPTYIAVKHGAE-UHFFFAOYSA-N 311.769 1.500 10 10 DDCE O=C(COCCOc1ccccc1)NCc1cc(O)ccc1O 1176747853 CSCKULXADSUBOV-UHFFFAOYSA-N 317.341 1.810 10 10 DDCE O=C1CN(C(=O)Cc2ccc(O)c(O)c2)Cc2ccccc2N1 1452384221 QGMDBSMKQNPDAW-UHFFFAOYSA-N 312.325 1.621 10 10 DDCE CN(C)[C@@H]1CC[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@H]2C1 1472349304 HMOWCZQYQDHXSN-RBSFLKMASA-N 318.417 1.829 10 10 DDCE Cc1ccc(C(=O)N[C@@H](c2nc(=O)o[nH]2)C(C)(C)C)c(O)c1O 1627298979 GCNCNNZFQSOFBE-NSHDSACASA-N 321.333 1.600 10 10 DDCE O=C(NC1CC1)[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1626190674 MPVBUTRCFGQEDH-GFCCVEGCSA-N 318.373 1.158 10 10 DDCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@]2(CCOC2)O1 1634917042 GNECZLVVSCYWDC-BDJLRTHQSA-N 307.346 1.047 10 10 DDCE C[C@@H](NC(=O)c1cn(C(F)(F)CO)nn1)c1ccccc1O 1587447559 WSBTVAZCPMTSHN-MRVPVSSYSA-N 312.276 1.016 10 10 DDCE CCN(CCC(=O)C(=O)C[C@H]1C[C@H](N)C1)C(=O)OC(C)(C)C 1961043421 SICNAPQRTPMQLT-HAQNSBGRSA-N 312.410 1.899 10 10 DDCE CNCc1ccc(N2CCS(=O)(=O)C[C@H]2C)cc1Cl 234454330 CFQVLZAJTMINPN-SNVBAGLBSA-N 302.827 1.683 10 10 DDCE Nc1ccc(-n2nnc(C(=O)NC3CCCCCC3)n2)cc1 1857878397 ADAQGMYNYVWREC-UHFFFAOYSA-N 300.366 1.697 10 10 DDCE O=S1(=O)CC[C@H]1CNCc1cc(Br)ccc1O 1945533530 SPXRXOAYBLPLTO-JTQLQIEISA-N 320.208 1.431 10 10 DDCE CN(C(=O)[C@H](CCO)NC(=O)OC(C)(C)C)c1ccc(N)cc1 1990003117 HYODUNZZFIVHDE-ZDUSSCGKSA-N 323.393 1.507 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)c1ccc(N)cc1 1993301023 XWJCYASBTVAWKG-GWCFXTLKSA-N 323.393 1.506 10 10 DDCE CN(c1ccc(CN)cc1C(F)(F)F)C1CS(=O)(=O)C1 2152231731 OMCLXQRLAXYXKL-UHFFFAOYSA-N 308.325 1.397 10 10 DDCE O=C1CN(c2ccc(CO)cc2Br)[C@@H]2CC[C@@H]2N1 2049367327 OJYWZUADLNESNW-CMPLNLGQSA-N 311.179 1.409 10 10 DDCE CNCCOCCN(C)Cc1cc(Cl)cc(OC)c1O 706677299 ANWSLSHLNAPQAN-UHFFFAOYSA-N 302.802 1.722 10 10 DDCE NC(=O)C1[C@H]2CN(c3ccc(CO)cc3Br)C[C@H]12 2081419500 WJYHBKJLFCWCMU-IUCAKERBSA-N 311.179 1.109 10 10 DDCE Nc1ccc(OCCC(=O)N2CC[C@H](C3OCCO3)C2)cc1 2089598562 DJAOSZGVCWRBTA-LBPRGKRZSA-N 306.362 1.259 10 10 DDCE OCc1ccc(N2C[C@@H](F)C[C@@H](O)C2)c(Br)c1 2213882065 BBHKFBJQEJCCOY-VHSXEESVSA-N 304.159 1.851 10 10 DDCE CC(C)(CN)CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236169010 VCGNEIQJDXINMU-UHFFFAOYSA-N 303.340 1.027 10 10 DDCE COC(=O)c1ccc(C=C2C(=O)NN(c3ccccc3)C2=O)cc1 2293233237 XYMCIPBCXLLKOA-UHFFFAOYSA-N 322.320 1.935 10 10 DDCE Cc1ccc(CNC(=O)[C@@H](C)CO)c(O)c1Br 2307570387 OENXIKIJLFDFEG-QMMMGPOBSA-N 302.168 1.708 10 10 DDCE COc1cccc(CNCCS(=O)(=O)C(C)(C)C)c1O 113344633 CMBOSZSNHMBMCO-UHFFFAOYSA-N 301.408 1.704 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCOC[C@@H]2F)s1 2350652708 NIONNDOXTAPDCZ-KWQFWETISA-N 306.384 1.536 10 10 DDCE CCO[C@H](C(=O)NCc1cccc(O)c1O)C1CCOCC1 1347542405 LWPPKNNUOAFEKV-HNNXBMFYSA-N 309.362 1.546 10 10 DDCE O=C(O)c1ccc(/C=C2/SC(=S)N(CCCO)C2=O)cc1 210384938 VEDCJJVLGSBIEC-DHZHZOJOSA-N 323.395 1.968 10 10 DDCE COc1ccc(N2CCN(C(=O)/C=C/c3ccncn3)CC2)cc1 182239984 QBAYJVPFWZHOEN-FARCUNLSSA-N 324.384 1.847 10 10 DDCE O=C(O)[C@H]1CS[C@@H](c2cc(Cl)c([N+](=O)[O-])cc2O)N1 83236629 OQOZHQIOCLMMKU-MUWHJKNJSA-N 304.711 1.742 10 10 DDCE Nc1ccc(CCNC(=O)c2coc([C@H]3CCCNC3)n2)cc1 43215795 PBGJOFRXEFXAAM-ZDUSSCGKSA-N 314.389 1.696 10 10 DDCE CCCN(CC(=O)NCCCN(C)C)Cc1ccccc1O 193365013 HIHDKDOIGJVRRY-UHFFFAOYSA-N 307.438 1.672 10 10 DDCE CC(=O)C(=O)COC(=O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 808522664 CKBNTAWQWMYTOW-OAHLLOKOSA-N 313.350 1.335 10 10 DDCE CN1CCC[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1=O 294682161 JUVBVYFZBPMMTA-LBPRGKRZSA-N 307.369 1.376 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCCF)c1 812612198 WSGHNTZUVGVHEY-UHFFFAOYSA-N 304.343 1.243 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@H]3CN(C)C[C@H]32)c1O 814173327 JVVWLAKKKSSKTJ-GXFFZTMASA-N 307.350 1.445 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2C[C@@H](C)n3ncnc32)c1O 819995537 DWOULVQZIIQDBK-MWLCHTKSSA-N 317.349 1.498 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@@H](O)CN2CCCC2)cc1 835037453 WHBJZJDDRWXWHZ-OOFWQKGWSA-N 303.450 1.812 10 10 DDCE Cc1nc2n(n1)C[C@@H](NC(=O)NCc1c(O)cccc1F)CC2 916378556 QINNTVGQMVJQJM-JTQLQIEISA-N 319.340 1.245 10 10 DDCE COC(=O)CCNC(=O)CCN[C@H](C)c1ccc(N(C)C)cc1 839564016 PXMJYQWMXFZUBV-CYBMUJFWSA-N 321.421 1.473 10 10 DDCE C[C@H]1CN([C@H](C)CNC(=O)Nc2ccc(N)cc2)C[C@@H](C)O1 848595083 SJXXXTKGBOEOQQ-UPJWGTAASA-N 306.410 1.888 10 10 DDCE NC/C=C/CNC(=O)NCc1cc(Br)ccc1O 841997399 SCJCJASHWZFHSA-OWOJBTEDSA-N 314.183 1.469 10 10 DDCE Cc1cc(C(=O)NC[C@@H]2C[C@@H]2C(=O)O)c(C)n1-c1ccccn1 910607197 CVHIJKLZDLFGDR-JSGCOSHPSA-N 313.357 1.940 10 10 DDCE COCC(C)(C)CC(=O)N(CC(=O)O)Cc1ccccc1O 911487295 CMQDXIMGQWZNRH-UHFFFAOYSA-N 309.362 1.868 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)NC(N)=O 847398460 BBAXCWUOVRHWCC-LBPRGKRZSA-N 306.410 1.548 10 10 DDCE CN(C)c1ccc(CN(C[C@@H](O)C2(O)CCC2)C2CC2)cc1 929297974 YYJTUYHFNAVZOV-QGZVFWFLSA-N 304.434 1.993 10 10 DDCE COC1(OC)CC[C@@H]1NCc1ccc(N2CCN(C)CC2)cc1 926853162 CMUOPAYYCJSCCL-KRWDZBQOSA-N 319.449 1.680 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@@]2(N)C[C@@H]2C(=O)O)c1 1952899965 RLPKLXVGQCCDEY-BMIGLBTASA-N 308.334 1.998 10 10 DDCE CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)c2cccc(O)c2O)C1 855354014 QJXPGBGCTAXTBY-NQBHXWOUSA-N 309.362 1.394 10 10 DDCE CN(C)C1(C(=O)NCc2cc(Br)ccc2O)CC1 854442777 XEAJALVBGMAXDQ-UHFFFAOYSA-N 313.195 1.865 10 10 DDCE COC1(C(=O)NCc2ccc3cccnc3c2O)CCOCC1 862026679 WTKMRQKBPPHXED-UHFFFAOYSA-N 316.357 1.752 10 10 DDCE CCOc1ccc(NC(=S)NNc2nnc(C)n2C)cc1 863206790 WLJFFHNUQJFGPP-UHFFFAOYSA-N 306.395 1.836 10 10 DDCE O=C(CN1CCc2ccccc2C1=O)N1Cc2cccc(O)c2C1 871203778 GMZSGCRSEYEKEK-UHFFFAOYSA-N 322.364 1.933 10 10 DDCE CC[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H](C)O1 1119003199 CZWQZLADLPCICN-AAEUAGOBSA-N 318.373 1.260 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C 796414535 WBJXCSLZECAIEI-LLVKDONJSA-N 301.339 1.237 10 10 DDCE C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)Cc1ccc(O)c(O)c1 1138312028 LUAJRMAPDYPHKP-SNVBAGLBSA-N 308.378 1.402 10 10 DDCE CCC[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1 1330418909 QXQMKNLHIVKBCL-CYBMUJFWSA-N 318.373 1.262 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912150605 VXMAXHMVPQMQNA-SSDOTTSWSA-N 304.763 1.394 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccnc2[nH]nnc12 1297563109 WZAIEGVSYQDDJR-UHFFFAOYSA-N 318.333 1.474 10 10 DDCE C[C@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1ccccc1O 1454820926 ULSRDPIKARSBHQ-NSHDSACASA-N 314.341 1.747 10 10 DDCE O=C(NCc1ccccc1O)NCc1nnc(O)n1C1CC1 1479162216 LFGMXRQDWAVINB-UHFFFAOYSA-N 303.322 1.024 10 10 DDCE O=C(O)CN1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S 2025927 SCLUBSIOAGDLQL-UITAMQMPSA-N 323.351 1.671 10 10 DDCE CNc1nc(C)cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1 1611430724 GWJCEEPGZNCIBP-SECBINFHSA-N 316.361 1.599 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC(N3CCCC3=O)C2)cc1 1558552124 VSJMNKLCPCOPKT-UHFFFAOYSA-N 315.333 1.296 10 10 DDCE CC(C)(C(=O)NCc1c(O)cccc1O)S(=O)(=O)C1CC1 1645362765 BYFHATWOPOUZSL-UHFFFAOYSA-N 313.375 1.070 10 10 DDCE O=C1NC(=S)N(Cc2ccco2)C(=O)/C1=C/c1ccc[nH]1 465891 HPVRXHHDJADRCU-YRNVUSSQSA-N 301.327 1.435 10 10 DDCE CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)C[C@@H](O)C1 1959568345 AOBOIVQJIFKGHU-CQSZACIVSA-N 307.394 1.687 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)c(Cl)c1 2145071945 IKBQMUTWXAMDAF-UDZFHETQSA-N 314.838 1.983 10 10 DDCE Nc1ccc(NC(=O)CCCN2CCC[C@H]2C2OCCO2)cc1 2145848497 NWLLFURJATVRAD-HNNXBMFYSA-N 319.405 1.825 10 10 DDCE CCNCc1ccc(N(C)CCC(N)=O)c(Br)c1 381989791 QCIZKRYIBRWSAX-UHFFFAOYSA-N 314.227 1.870 10 10 DDCE COCC1(O)CN(c2ccc([C@@H](C)N)c(Br)c2)C1 384187678 YFGUWOPBJDXSBB-SECBINFHSA-N 315.211 1.666 10 10 DDCE C[C@@H]1C[C@H](NS(=O)(=O)CCOc2ccc(N)cc2)CS1 397972845 NMHGIDVUBAJVFC-PWSUYJOCSA-N 316.448 1.461 10 10 DDCE O=C(C[C@]1(O)CCOC1)NCc1c(O)ccc2ccccc12 2065015721 HJCLLHGQNZTDGB-QGZVFWFLSA-N 301.342 1.703 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2C[P@](C)(=O)C[C@@H]2O)c1O 2177840304 VHZZLECMYMBKSA-NLQQUQSOSA-N 319.725 1.880 10 10 DDCE CCn1nnnc1CNCc1c(O)cccc1Br 2050239851 MAGVUURMGVTXQP-UHFFFAOYSA-N 312.171 1.451 10 10 DDCE CN(c1ccc(CO)cc1Br)[C@@H]1CCCNC1=O 2051436198 UUXWNYUEVLZPGS-GFCCVEGCSA-N 313.195 1.656 10 10 DDCE CC(C)N1C(=O)NC(=O)C(=CNc2cccc3nonc23)C1=O 2296571233 JBCHXEKKOSQYNM-UHFFFAOYSA-N 315.289 1.005 10 10 DDCE CC(C)(C)N1C(=O)NC(=O)C(=Cc2ccc(C(=O)O)cc2)C1=O 2297510197 GLDAPOWTYAVXFV-UHFFFAOYSA-N 316.313 1.645 10 10 DDCE Cc1ccc(CN=c2[nH]ccnc2N)c(O)c1Br 2327586158 KNRFYRGELJPLFR-UHFFFAOYSA-N 309.167 1.869 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@H]1CCN(C(C)=O)C1 175255097 QINHYDAJMLQZAI-HNNXBMFYSA-N 304.390 1.999 10 10 DDCE CN1C(=O)C(=Cc2ccc([N+](=O)[O-])c(Cl)c2)C(=O)N(C)C1=O 126275767 AIQNQBBPVLXFNF-UHFFFAOYSA-N 323.692 1.682 10 10 DDCE C[C@@H](CO)N(C)c1cc2c(cc1Br)[C@H](N)C(=O)N2 122546060 GSCQFXVYTMYKKD-KGFZYKRKSA-N 314.183 1.218 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)c1cn(C)nc1N 40337781 LVHBHCILULFWOM-VIFPVBQESA-N 310.379 1.090 10 10 DDCE Cc1ccc(C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c(O)c1O 364705978 XCJJNRXAHAXTPC-HOSYDEDBSA-N 304.346 1.145 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccccc1OCc1noc(C)n1 808493244 XISJEIRYPOYCJA-UHFFFAOYSA-N 318.285 1.272 10 10 DDCE CC(=O)C(=O)COC(=O)c1nn(-c2ccc(F)cc2F)cc1O 808548258 ZTFGBDYIXGYMNI-UHFFFAOYSA-N 324.239 1.171 10 10 DDCE COc1cc(O)c(CN2CCO[C@H](C(=O)C3CC3)C2)cc1OC 811502021 GRJWWZGVVLTLPD-INIZCTEOSA-N 321.373 1.589 10 10 DDCE CN1C(=O)C(=Cc2nccn2Cc2ccccc2)C(=O)N(C)C1=O 734095700 GJTINFPXAWALBM-UHFFFAOYSA-N 324.340 1.365 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@@H]2C[C@H]1CS2 839202192 ZZVQFQRRGHEQQG-HOTGVXAUSA-N 319.474 1.901 10 10 DDCE COC[C@H]1C(=O)N[C@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1C 840829639 WJCLMOILMVRNMM-ONGXEEELSA-N 315.713 1.029 10 10 DDCE Cc1cc(O)c(CNC[C@H]2CCS(=O)(=O)C2)c(Cl)c1 840871838 FVUVKGPZSVFYBR-SNVBAGLBSA-N 303.811 1.878 10 10 DDCE CC(C)(C)OC(=O)N1CCc2cc3n(c(=O)c2C1)CCNC3 687765443 JEIMYVOFIRUEAH-UHFFFAOYSA-N 305.378 1.245 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCN3C[C@H](O)C[C@H]3C2)cc1 848926088 LBGGFFCYYBAFBA-JWRSSPFQSA-N 301.434 1.517 10 10 DDCE COCCN1CCN(C(=O)c2ccc(C)c(O)c2O)C(C)(C)C1 846564561 ZCVMHDYLTJUBEM-UHFFFAOYSA-N 322.405 1.589 10 10 DDCE Cc1ccc(C(=O)N2CCOC[C@H]2c2ccnn2C)c(O)c1O 846613713 ZBEGYVVHMFVQSL-ZDUSSCGKSA-N 317.345 1.353 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)cc1 844303671 ADEZCZUCVCRKMU-AZAGILFBSA-N 313.401 1.284 10 10 DDCE CCN(C)c1ccc(CN2CCN(CCN(C)C)C(=O)C2)cc1 844382277 VUOPQHNOFMSZGG-UHFFFAOYSA-N 318.465 1.349 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@](C)(O)C3CCC3)C2)cc1 855226936 RCTDIWSUGUBHKC-KSSFIOAISA-N 318.417 1.941 10 10 DDCE C[C@H]1CN(C)C[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 756104843 YVYWANYROBOWFY-GUYCJALGSA-N 321.440 1.827 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)CCO)C2)cc1 854295775 CAIXEQNKNSIRMW-KBPBESRZSA-N 321.421 1.686 10 10 DDCE CC[C@](C)(CO)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855222877 BPHOMPCDIHLZNX-SUMWQHHRSA-N 306.406 1.799 10 10 DDCE CC(C)CN1C[C@@H](C(=O)NCc2c(O)cccc2F)CC1=O 928712859 ZOQYITKHVLSHKA-NSHDSACASA-N 308.353 1.652 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H](C)C[C@@H]3COCCN3)C2)cc1 854216717 DHRYTJMZQQWIRA-HRCADAONSA-N 319.449 1.631 10 10 DDCE CCOCc1cc(CNCC[C@H]2CNC(=O)C2)ccc1OC 922780669 DDVSDOATNHFMBO-CQSZACIVSA-N 306.406 1.848 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3ccc(C)nn3)C2)cc1 855226425 RWGPOQAJZJBFDR-ZDUSSCGKSA-N 312.373 1.802 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CO[C@@H]1CCOC1 1333968385 CFUOTYCZUUISHY-LLVKDONJSA-N 300.351 1.300 10 10 DDCE C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1O 868217714 VDMMSFDLRKPYBZ-MELADBBJSA-N 319.405 1.616 10 10 DDCE CCO[C@H](CS(=O)(=O)NCc1ccc(O)cc1O)C1CC1 867417561 ZLBRGLGNGHGSCI-CQSZACIVSA-N 315.391 1.332 10 10 DDCE C[C@@H]1CO[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 1119453105 RCIQNNMTKGXHCY-BBRMVZONSA-N 304.390 1.564 10 10 DDCE NCc1cn(-c2ccc3c(c2)C(=O)c2ccccc2C3=O)nn1 62264600 WGLULZGWHGQMDF-UHFFFAOYSA-N 304.309 1.501 10 10 DDCE CN(C)S(=O)(=O)C1(CNCc2ccc(F)c(F)c2O)CC1 895809977 DOCAOIIHBIWTOC-UHFFFAOYSA-N 320.361 1.184 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC(F)(F)C[C@H]2CO)cc1 780185189 ZVWOZYCQTWQUEL-ZDUSSCGKSA-N 313.348 1.664 10 10 DDCE Cc1cc(O)c(CN[C@H]2C(=O)NCC23CCOCC3)cc1C 895772520 GPSSTILONIFASI-HNNXBMFYSA-N 304.390 1.394 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)c(F)c1 1142534047 XKEQVPLPQSSZLJ-UHFFFAOYSA-N 319.288 1.954 10 10 DDCE C=CC(=O)N(C)CC(=O)NCc1cc(Cl)cc(Cl)c1O 1141737600 ARVGTGNSWBARBV-UHFFFAOYSA-N 317.172 1.960 10 10 DDCE Nc1nccc(C(=O)NCc2c(O)cccc2F)c1[N+](=O)[O-] 1156170171 IAALPTRPZYJBLH-UHFFFAOYSA-N 306.253 1.347 10 10 DDCE C[C@H](NC(=O)c1ccnc(-n2cncn2)c1)c1ccccc1O 1151891879 CTFXBYXNNJAEIV-NSHDSACASA-N 309.329 1.859 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2ccc(C(N)=O)c(Cl)n2)c1 1167293612 LGTMCLKCEBACEP-UHFFFAOYSA-N 319.748 1.778 10 10 DDCE CNC(=O)N[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 1197758735 LELRAKUDEBDPRH-CYBMUJFWSA-N 323.368 1.627 10 10 DDCE CCOc1cc(CN2CCC(C(N)=O)CC2)ccc1N(C)C 212000943 ICOQBYMRJROWIT-UHFFFAOYSA-N 305.422 1.849 10 10 DDCE C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 1523198914 AXIJJUIOBFHWFZ-YUTCNCBUSA-N 303.406 1.831 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc([C@@H](C)O)s1 1296247504 VEFZRQNLBNOULP-RKDXNWHRSA-N 322.386 1.969 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@H]2CCNC2=O)cc1Br 1916797521 BVKIQBPLPKMYHD-UFBFGSQYSA-N 312.211 1.794 10 10 DDCE C[C@@H](O)c1ccc(N(C)[C@@H]2CCNC2=O)cc1Br 1916799562 IDWPMDMOLBSAJZ-PRHODGIISA-N 313.195 1.827 10 10 DDCE Cn1cc(C(=O)CNC(=O)c2ccc(N=NC(N)=O)cc2)cn1 1472177839 BDXSXVAJWDCVEO-UHFFFAOYSA-N 314.305 1.195 10 10 DDCE CN[C@H](c1ccccc1O)[C@@H](O)C1CN(C(=O)OC(C)(C)C)C1 1920611766 XKDWDTJRSDOCQF-CABCVRRESA-N 322.405 1.881 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CCC(=O)NC1 1543309901 KAZSLCOKIFPRHB-CYBMUJFWSA-N 303.406 1.594 10 10 DDCE NS(=O)(=O)Cc1ccc(NC(=O)c2cc(O)cs2)cc1 1629153214 SXHCMDKOYCQQOJ-UHFFFAOYSA-N 312.372 1.495 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)[C@@H]2CCN(C)C2)cc1C 1567079272 RNEQIGACCQJKKR-GDBMZVCRSA-N 319.449 1.550 10 10 DDCE C[S@](=O)Cc1cccc(C(=O)NCc2cccc(O)c2O)c1 1633509775 XEMYZDNENDZJBH-QFIPXVFZSA-N 319.382 1.906 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@H]1CC(=O)N(C2CCCC2)C1 1651222521 JJQXGXVACVGZCI-LBPRGKRZSA-N 318.373 1.505 10 10 DDCE CC[C@H](OC)C(=O)N(C)CCNCc1ccc(OC)c(C)c1 1663841986 BIGRDJIHIFZQBD-HNNXBMFYSA-N 308.422 1.977 10 10 DDCE CC(=O)NN1C(=O)/C(=C\c2ccccc2C(=O)O)SC1=S 5831526 MUBPLRHWIYFHLM-UXBLZVDNSA-N 322.367 1.637 10 10 DDCE CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 1885561103 MYFVHMLPWQZEKE-VIFPVBQESA-N 313.383 1.818 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3C[C@H](O)C(F)(F)C3)c(Cl)cc21 2152098294 LQLGFTDJXYKSRL-UWVGGRQHSA-N 303.696 1.108 10 10 DDCE CN(C)[C@H]1CN(c2ccc(CO)cc2Br)C[C@@H]1O 2029434785 LAVHBCPKXUTLSH-STQMWFEESA-N 315.211 1.053 10 10 DDCE NCc1ccc(N2C[C@H]3OCCO[C@@H]3C2)c(Br)c1 2032415783 ZQUBGZZTQJDVKZ-CHWSQXEVSA-N 313.195 1.512 10 10 DDCE NCc1ccc(N2C[C@@H]3C[C@@H](O)[C@H]3C2)c(F)c1Br 2033970252 FFDKKKCVTKJESW-ATZCPNFKSA-N 315.186 1.864 10 10 DDCE O=C1CN(c2ccc(OC(F)(F)F)c(Cl)c2)CC(=O)N1 401391738 OHRFFFQQWZYHAF-UHFFFAOYSA-N 308.643 1.701 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H](CO)c2cccs2)cc1 2175674592 JTNGDCNENLDPMV-LBPRGKRZSA-N 312.416 1.483 10 10 DDCE CCN(c1ccc(CN)c(F)c1F)[C@H]1CCS(=O)(=O)C1 387392565 PEMOZTMTNZAOFF-JTQLQIEISA-N 304.362 1.437 10 10 DDCE CCN1CC[C@@H](N(CC)C(=O)c2cnn3c(O)cc(C)nc23)C1 2062344020 SPYBILBBPARCDA-GFCCVEGCSA-N 317.393 1.300 10 10 DDCE CC[C@@H]1CN([C@H](CC)C(=O)Nc2ccc(O)c(O)c2)CCO1 2063377127 UKWXRPWTGRPMEP-CHWSQXEVSA-N 308.378 1.926 10 10 DDCE Cc1c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(=N)[nH]n1C 2191762569 WGNJSCDTHLQLRW-UHFFFAOYSA-N 316.770 1.301 10 10 DDCE C[C@H](C(=O)O)N1CC(NCc2cc(Cl)cc(Cl)c2O)C1 2188310421 UITUXTHYKOQDOP-SSDOTTSWSA-N 319.188 1.946 10 10 DDCE C[C@@]1(CO)COCCN1c1ccc(CO)c(Br)c1 2049911838 GKXQAVYPUGECQZ-CYBMUJFWSA-N 316.195 1.529 10 10 DDCE N=c1[nH]c(Br)cc(=NCCc2ccc(N)cc2)[nH]1 2053526835 PMQVNLXYAZSLKY-UHFFFAOYSA-N 308.183 1.310 10 10 DDCE OCc1ccc(N2CC[C@H](O)C[C@@H]2CO)c(Br)c1 2080493595 IBDTZXLTUDZAAA-MNOVXSKESA-N 316.195 1.263 10 10 DDCE Cc1ccc(CNCCn2cc(Br)nn2)c(O)c1 2084064230 AUBOQAFZFWDNFP-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE Cc1cccc(CN=c2[nH]cnc(N)c2Br)c1O 2084063524 NWBAWEFUPXXAFB-UHFFFAOYSA-N 309.167 1.869 10 10 DDCE C[C@H]1CCS[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2094458883 XBTUFPHFCZOJER-GWCFXTLKSA-N 300.449 1.830 10 10 DDCE COCC[S@@](=O)CCN[C@@H](C)c1cc(OC)ccc1O 2207027535 NDHLLEBJAMBMRS-YBTHPKLGSA-N 301.408 1.447 10 10 DDCE NCc1ccc(N2C[C@H](O)C[C@@H](F)C2)c(F)c1Br 2219178534 GJWCMULCDDUWRT-RKDXNWHRSA-N 321.165 1.956 10 10 DDCE COC(=O)C1(CS(=O)(=O)N2CCC[C@H](N=[N+]=[N-])C2)CC1 2290075432 ZCUMVRQECWVIJV-VIFPVBQESA-N 302.356 1.044 10 10 DDCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNC(=N)N[N+](=O)[O-] 2297512450 KYHSJBNMUVTMJR-UHFFFAOYSA-N 322.712 1.252 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)NCC(=O)C1CC1 2306345259 CPWBBCCGUZFPJA-UHFFFAOYSA-N 314.385 1.632 10 10 DDCE CNS(=O)(=O)N(C)Cc1ccc(C)c(Br)c1O 2307566706 IOWWOGCIXHNRRL-UHFFFAOYSA-N 323.212 1.359 10 10 DDCE CO[C@@H](CN)CN(C)Cc1ccc(C)c(Br)c1O 2327585343 GJJKAKPNKLCLAO-NSHDSACASA-N 317.227 1.869 10 10 DDCE COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)C(C)(C)C 62192123 JSFMUNQZJLFZQM-UHFFFAOYSA-N 319.405 1.958 10 10 DDCE Cc1ccccc1[C@H](C)NC=C1C(=O)N(C)C(=O)N(C)C1=O 60864633 HTUGSJMYVDHRKU-NSHDSACASA-N 301.346 1.580 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1F 171905380 QRGUFZKGAFTGHF-CQSZACIVSA-N 320.412 1.881 10 10 DDCE CCN(CC)c1ccc(CNC(=O)Cn2ccnn2)cc1F 175213569 DGBFVBQBJAIFPW-UHFFFAOYSA-N 305.357 1.580 10 10 DDCE NCc1ccc(N2CCO[C@H](CO)C2)c(Br)c1 212904169 LBMQFLXJZNDFFG-JTQLQIEISA-N 301.184 1.105 10 10 DDCE CCOc1cccc(CN2CCO[C@H](c3nc(C)n[nH]3)C2)c1O 180109908 DRRNKILVJDPSHD-AWEZNQCLSA-N 318.377 1.791 10 10 DDCE COc1cccc(CNS(=O)(=O)[C@@H](C)C(F)(F)F)c1O 184546161 ZYKMIZLLVRNFQJ-ZETCQYMHSA-N 313.297 1.771 10 10 DDCE C[C@H](O)CN1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C 245692031 BPFUPHAZFAYBNS-NEPJUHHUSA-N 308.378 1.008 10 10 DDCE C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CC(=O)N1C 282764852 HGQPFDAHWZKHEK-GFCCVEGCSA-N 304.394 1.125 10 10 DDCE CCn1c([C@@H]2COCCO2)nnc1N(C)Cc1ccccc1O 290988105 KRSCBAFKKMKIMN-AWEZNQCLSA-N 318.377 1.728 10 10 DDCE COc1cc(CO)cc([C@@H](N)CNC(=O)OC(C)(C)C)c1O 380925716 CAYYENJFARLEIP-NSHDSACASA-N 312.366 1.418 10 10 DDCE CS(=O)(=O)[C@@H](CNCc1cccc(Cl)c1O)C1CC1 2224612732 NCQPWGNZOYPSLN-LBPRGKRZSA-N 303.811 1.958 10 10 DDCE NC(=O)[C@H]1CCCN(c2ccc(CNC[C@H](O)C3CC3)cc2)C1 818967737 AIDZUWHXOONLMO-RDJZCZTQSA-N 317.433 1.249 10 10 DDCE COc1ccc(O)c([C@H](C)NC[C@H]2CCCCN2CCO)c1 824583445 LSFQWUJUUHCVKF-UONOGXRCSA-N 308.422 1.898 10 10 DDCE CN(C)c1ccc(CNC(=O)CN[C@H]2CCNC23CCC3)cc1 903469770 BZXVMRQKWORWCL-INIZCTEOSA-N 316.449 1.243 10 10 DDCE CCS(=O)(=O)NCCNC/C=C/c1ccc(N(C)C)cc1 835034474 BBFYJHZMDFJXFB-AATRIKPKSA-N 311.451 1.295 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCc2nc[nH]c2C1 830531910 OPECXFWBMUSOIV-NSHDSACASA-N 301.346 1.285 10 10 DDCE Cc1nccn1CCCNC(=O)NCc1c(O)cccc1F 914248013 KEBRNOQYWUONDL-UHFFFAOYSA-N 306.341 1.926 10 10 DDCE C[C@@H]1CCn2ncc(C(=O)NCc3ccc(O)c(O)c3)c2C1 843831917 SQEAZEMWYJNQON-SNVBAGLBSA-N 301.346 1.807 10 10 DDCE COc1ccc(N2CCCN(C(=O)Cn3ccnc3)CC2)cc1 742246593 OCDAYVDVRZXHKY-UHFFFAOYSA-N 314.389 1.631 10 10 DDCE CO[C@]12CCC[C@@]1(NC(=O)/C=C\c1ccc(O)c(O)c1)CCO2 928065182 NNDKZNVVIVJYIQ-FJKMSNPNSA-N 319.357 1.913 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@H]1CCN1 1952355166 QFCUDTWPVALYJM-NEPJUHHUSA-N 308.378 1.896 10 10 DDCE CN(C)Cc1csc(CNC(=O)c2cccc(O)c2O)n1 927767078 RLIMMDGSHYMXNT-UHFFFAOYSA-N 307.375 1.546 10 10 DDCE Cc1ccc(C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)c(O)c1O 856088976 MWMUHXFOHNLFBE-NSHDSACASA-N 321.377 1.234 10 10 DDCE CC(C)OCCS(=O)(=O)NNc1nc2cccnc2s1 857225489 NMYHGIULVNSBMV-UHFFFAOYSA-N 316.408 1.363 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CC[C@@H]3CCNC3)C2)cc1 852843997 MHYODIDHOSANDM-HUUCEWRRSA-N 317.433 1.780 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCOC3)C2)cc1 855232219 REELBCJXYLNOPE-KBPBESRZSA-N 304.390 1.817 10 10 DDCE O=S(=O)(CCOCC1CCC1)NCc1ccc(O)cc1O 867416992 KTKHGNQMXSFISL-UHFFFAOYSA-N 315.391 1.334 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CCc3cn[nH]c3)C2)cc1 863931266 YRXHLLXTXYIYGD-CQSZACIVSA-N 314.389 1.746 10 10 DDCE CCC[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)OCC 705347974 BONSHTDGPFFXHX-CQSZACIVSA-N 300.424 1.893 10 10 DDCE C[C@H](CNCCCO)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1319593021 LIRSEPQDSHXQNZ-LLVKDONJSA-N 321.381 1.282 10 10 DDCE Cc1cc(NS(=O)(=O)CCF)ccc1NS(C)(=O)=O 2121057087 NPZREGXOYUWNOW-UHFFFAOYSA-N 310.372 1.078 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CN(C)C(=O)[C@@H]1C 1332091845 XLNBZFHMVJUZFK-LBPRGKRZSA-N 304.394 1.391 10 10 DDCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@@H](O)CS(C)(=O)=O 1332913775 XLFPSWPDJIDVQB-IJLUTSLNSA-N 313.419 1.244 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCC(=O)NC1 1540567370 JYMYMUILOPHROR-HNNXBMFYSA-N 315.417 1.771 10 10 DDCE C[C@@H](CN(C)CCCO)NC(=O)c1ccc(N=NC(N)=O)cc1 1733064671 BHFGAEWHGGSLKW-NSHDSACASA-N 321.381 1.282 10 10 DDCE COc1ccccc1[C@@H](O)C(=O)NCc1ccc(O)c(O)c1 1595596487 WZASNUUOEMMRAV-OAHLLOKOSA-N 303.314 1.456 10 10 DDCE CCSC[C@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 135347624 FHWIYLAUFMXWNL-NSHDSACASA-N 318.464 1.709 10 10 DDCE OCc1ccc(N2CC([C@H](F)CO)C2)c(Br)c1 2001919744 DYSDRWXPOXHLEI-LLVKDONJSA-N 304.159 1.708 10 10 DDCE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1985099673 ALZNDYGYAFDYEJ-SSDOTTSWSA-N 322.329 1.677 10 10 DDCE CN(c1ccc(CN)cc1)[C@H](CNC(=O)OC(C)(C)C)C(=O)O 1992729661 GULCKHISZJLZME-CYBMUJFWSA-N 323.393 1.559 10 10 DDCE N[C@H]1[C@@H]2CN(Cc3cc(Br)cc(F)c3O)C[C@H]12 2000287887 UTPCGDVMTYXYJC-JZYVYDRUSA-N 301.159 1.683 10 10 DDCE Oc1cccc(Br)c1CNC[C@H]1C[C@H](O)CCO1 2036682096 OOEUHCBKZCSBQZ-NXEZZACHSA-N 316.195 1.784 10 10 DDCE C[C@H]1CC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CS1 709732822 MDEMRYJNTHLHTD-GWCFXTLKSA-N 300.449 1.972 10 10 DDCE CNCc1cn(Cc2cccc(Br)c2O)nc1O 2070700545 BQCVSDSIRBCSSY-UHFFFAOYSA-N 312.167 1.825 10 10 DDCE C[C@@H](N)c1ccc(N(C)CC2(S(C)(=O)=O)CC2)c(F)c1 2167824723 FEWLQUPMLBZGRH-SNVBAGLBSA-N 300.399 1.859 10 10 DDCE C[C@H](O)c1ccc(N2CC3(CNS(=O)(=O)C3)C2)c(Cl)c1 2176155219 SZCOIAQRCUTGFU-VIFPVBQESA-N 316.810 1.133 10 10 DDCE CNC[C@@H](C)CS(=O)(=O)NCc1cnc(SC)s1 2257095552 BFZNNHHGEVWTBW-MRVPVSSYSA-N 309.482 1.140 10 10 DDCE CSc1ncc(CNC(=O)N(C)[C@H](C)CC(=O)O)s1 2269132050 BFCJIXQMQDCQFY-SSDOTTSWSA-N 303.409 1.870 10 10 DDCE CSc1ncc(CNC[C@@H]2CCC[C@H](C(=O)O)O2)s1 2269123537 JRVMPVOYUQCIOH-WCBMZHEXSA-N 302.421 1.977 10 10 DDCE CSc1ncc(CNC(=O)[C@H](N)[C@@H]2CC[C@@H](C)O2)s1 2269261659 JDSAQTCHUKYYGI-FKTZTGRPSA-N 301.437 1.376 10 10 DDCE C[C@@H](O)C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 111285615 QLUIREJDCZILEP-CQSZACIVSA-N 319.449 1.462 10 10 DDCE CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(N)=NC2=O)c1O 33908170 KIDVZOCPTVFGAW-WTKPLQERSA-N 309.303 1.628 10 10 DDCE CCOC(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H](N=[N+]=[N-])[C@@H]1O 36075371 LFRBCTNPGRAUIN-UTINFBMNSA-N 314.342 1.503 10 10 DDCE CN1CCNC[C@@H]1c1cc(I)ccc1O 1951855388 MOVKBEMCSIOWCG-SNVBAGLBSA-N 318.158 1.573 10 10 DDCE COC(=O)c1coc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 274982744 XRUGHYCTSXDIPK-VIFPVBQESA-N 319.313 1.838 10 10 DDCE COC(=O)C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 295211217 APBNYKSWFCMGFT-SNVBAGLBSA-N 317.744 1.949 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(NC(=O)NC2CC2)c1 808507135 ALQZKJSWCZTEDL-UHFFFAOYSA-N 304.302 1.285 10 10 DDCE COc1cc(O)c(CN(C)[C@H]2CCN3CCO[C@H]2C3)cc1OC 295203594 YZJXCRDUVUIKAC-GUYCJALGSA-N 322.405 1.314 10 10 DDCE NC(=O)[C@@H]1CCCN(c2ccc(CNC[C@@H](O)C3CC3)cc2)C1 818967736 AIDZUWHXOONLMO-NVXWUHKLSA-N 317.433 1.249 10 10 DDCE COc1ccc(N2CCN(CCNC[C@@H](O)C3CC3)CC2)cc1 818982073 DRZARMZNAZANKS-GOSISDBHSA-N 319.449 1.178 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCOC[C@@H]2CC(=O)O)cc1 902002667 SLTXIOQRRNZUJK-CWDCEQMOSA-N 304.390 1.941 10 10 DDCE CC[C@@H](NC[C@@]1(CO)COCCN1C)c1ccc(F)cc1O 903278308 LUBVMJPGQUDJRI-GDBMZVCRSA-N 312.385 1.265 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@H](O)Cn2ccnn2)cc1 839178675 HIAWPVGTMPLIRL-CWDCEQMOSA-N 301.394 1.008 10 10 DDCE CN(Cc1ccccc1O)C(=O)COCC(=O)OC(C)(C)C 843820573 WQUPJJVRBMWZOZ-UHFFFAOYSA-N 309.362 1.709 10 10 DDCE COC(=O)[C@H](NCc1ccc(N(C)C)cc1C)c1ccn(C)n1 840942285 XXOSXVZNWBITFO-MRXNPFEDSA-N 316.405 1.798 10 10 DDCE CC[C@]1(C)NC(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O 849356917 HXSNSYOLSDFULN-DYVFJYSZSA-N 317.389 1.994 10 10 DDCE COC(=O)C[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855233592 IUNXNHGNWFDBHQ-CHWSQXEVSA-N 320.389 1.589 10 10 DDCE O=C1C[C@@H](CCNCc2c(O)cccc2Br)CN1 922779258 RDRYGRPXUFVHFO-SECBINFHSA-N 313.195 1.771 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCCC(C)(C)O)C2)cc1 852263368 HZGCZNUYZINQGZ-ZDUSSCGKSA-N 321.421 1.734 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](Cn2ccnn2)C1 855239023 WQYHOHHOVRYEBD-CXLRFSCWSA-N 314.345 1.251 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCOC3)C2)cc1 855230162 NWSWVLVYSSJUQL-KBPBESRZSA-N 304.390 1.817 10 10 DDCE COc1ccc(N2CCN(C(=O)CCc3cnn[nH]3)CC2)cc1 864469949 CTYHEPDIWUSLCT-UHFFFAOYSA-N 315.377 1.095 10 10 DDCE CN(CC(=O)NCc1ccc2cccnc2c1O)C(=O)C1CC1 862027994 MIOHOQWKDITQAT-UHFFFAOYSA-N 313.357 1.425 10 10 DDCE CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(N=NC(N)=O)cc1 936129023 VNZDUYQXSAFTCO-STQMWFEESA-N 315.333 1.294 10 10 DDCE CN1CC2(CN(Cc3cc(F)c(N(C)C)cc3F)C2)OC1=O 862397435 QQILZYJSJNMHMG-UHFFFAOYSA-N 311.332 1.667 10 10 DDCE COC(=O)C1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 1144842921 KPZSOXYMVWADOS-UHFFFAOYSA-N 307.346 1.488 10 10 DDCE NC(=O)N[C@@H]1CCN(Cc2cccc(Br)c2O)C1 690731788 KUQAYXGZXBFIDK-SECBINFHSA-N 314.183 1.397 10 10 DDCE CC(C)N1C(=O)CN(C(=O)c2c(F)ccc(O)c2O)CC1(C)C 1327979826 IGNNLVYQBMJPCB-UHFFFAOYSA-N 324.352 1.708 10 10 DDCE COCc1n[nH]c(CNC(=O)N[C@H](C)c2ccccc2O)n1 1252736214 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319.365 1.884 10 10 DDCE COc1ccc(NC(=O)CN2C(=O)[C@@H](C)SC2=S)cc1 11635366 LFSRASNFKSLQQM-MRVPVSSYSA-N 310.400 1.883 10 10 DDCE CC[C@@H]1SC(=S)N(CC(=O)NCc2ccccc2)C1=O 11635660 LYNLUCXPVZBGTP-NSHDSACASA-N 308.428 1.942 10 10 DDCE CS(=O)(=O)CC1CC(NCc2ccc(F)c(F)c2O)C1 1974461975 UVNZJCZCJAVQDQ-UHFFFAOYSA-N 305.346 1.583 10 10 DDCE CS(=O)(=O)C1CN(c2ccc(CN)cc2C(F)(F)F)C1 2152286696 OZVWHARQMMPXAG-UHFFFAOYSA-N 308.325 1.397 10 10 DDCE NCc1cc(F)c(N2C[C@H]3C(CO)[C@@H]3C2)cc1Br 2030268150 GDZQWUGUIZEHSK-RKDXNWHRSA-N 315.186 1.721 10 10 DDCE CN(Cc1c(O)cccc1F)C[C@@H]1CCCCS1(=O)=O 2160775398 BJLRZXSDNXBVIW-NSHDSACASA-N 301.383 1.930 10 10 DDCE Cn1ncc(NS(=O)(=O)Cc2ccc(N)cc2)c1Cl 694188917 TVJYMQZWMKSLRU-UHFFFAOYSA-N 300.771 1.598 10 10 DDCE NCc1ccc(N2CCN(C(N)=O)CC2)cc1Br 721769134 NVAJWRWWCRPSAS-UHFFFAOYSA-N 313.199 1.109 10 10 DDCE COc1cccc(O)c1[C@H](C)NC[C@@H]1COC2(CCOCC2)O1 2062266573 BXCUJTXOYVVDDR-QWHCGFSZSA-N 323.389 1.974 10 10 DDCE N[C@H]1CN(Cc2cc(Br)ccc2O)CC[C@@H]1CO 2058510020 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10 10 DDCE Cc1cccn(CC(=O)NCCCSc2nccs2)c1=O 181341752 QDAVZMVMPOQOAW-UHFFFAOYSA-N 323.443 1.912 10 10 DDCE CCOC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 301619605 LYOCDAURWBFFJT-UHFFFAOYSA-N 321.333 1.931 10 10 DDCE CN(c1ccc(CN)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 36869308 JEFHNAJVCGIYTL-LLVKDONJSA-N 322.352 1.787 10 10 DDCE C[C@@H]1CCC[C@@H](CS(=O)(=O)NCC2(CN=[N+]=[N-])CC2)O1 2364244515 LPQXUGYQOIICME-MNOVXSKESA-N 302.400 1.954 10 10 DDCE C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)N1CCCCC1=O 194260463 QQXNLQBELCKSTP-WMADIVHISA-N 318.373 1.628 10 10 DDCE Cc1ccc(C(=O)NC[C@@H](C)N2CCCCC2=O)c(O)c1O 194269217 BBCOHAAJOLZOGR-LLVKDONJSA-N 306.362 1.537 10 10 DDCE O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1cccc(O)c1O 193163913 QFPPYGWIYZIUSS-UHFFFAOYSA-N 324.340 1.855 10 10 DDCE O=S1(=O)CCCN(Cc2ccc(N3CCOCC3)cc2)CC1 374276034 XSFIRILZHLWHMF-UHFFFAOYSA-N 324.446 1.144 10 10 DDCE CN(CC1CC1)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C 285785949 UCJNFYPHPFFDRR-UHFFFAOYSA-N 315.417 1.554 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(C)nc2c1cnn2C(C)C 808498944 BRLDGZIQLVXNTG-UHFFFAOYSA-N 303.318 1.636 10 10 DDCE CCOc1ccc(O)c(CN(C)[C@@H]2CCN3CCO[C@H]2C3)c1 295190087 XDCIMRCGZGMGSX-WBVHZDCISA-N 306.406 1.696 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCC(=O)NC1CCCCC1 588404568 CIOXWWQBBBYZOU-CLFYSBASSA-N 318.373 1.676 10 10 DDCE O=C(c1c[nH]nc1[C@H]1CCNC1)N1CCc2c(F)cccc21 662791329 JUMAZYGVNWFHBL-JTQLQIEISA-N 300.337 1.829 10 10 DDCE Cc1cc(CC(=O)NC(C)(CO)CO)c(C)n1-c1ccccc1 831940692 HXOAXDVOCXOOCF-UHFFFAOYSA-N 316.401 1.496 10 10 DDCE CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)OCC(=O)C(C)=O 837913260 QTKKISYFZQDXBP-JTQLQIEISA-N 315.366 1.723 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@@]3(CCSC3)C1)OCO2 842624651 ODTSAVCIXJONEA-HNNXBMFYSA-N 309.387 1.829 10 10 DDCE C[C@H]1CN(C(=O)CN2CCCc3cc(CN)ccc32)C[C@H](C)O1 843349496 BGPKGUSCVDFJCE-KBPBESRZSA-N 317.433 1.534 10 10 DDCE CCO/C=C\C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 840590701 SWXITJSNTWPHDB-KHPPLWFESA-N 320.389 1.804 10 10 DDCE COc1ccc(N2CCN(C(=O)C3(OC)CC3)CC2)cc1F 843817824 JVXNBULAKGMPKG-UHFFFAOYSA-N 308.353 1.662 10 10 DDCE CCO[C@@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)[C@@H]1OC 922065949 OPOSXVNWZPBPQP-YUTCNCBUSA-N 312.341 1.523 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCO[C@H](CCF)C2)cc1 859904570 INGAJKYWYMHMES-MRXNPFEDSA-N 323.412 1.429 10 10 DDCE C[C@@H]1NCC[C@@H](C)[C@@H]1NCc1ccc(N2CCOCC2)cc1 923369882 MZPDMLNBKQARNG-VKJFTORMSA-N 303.450 1.999 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1CCCS1 1119000355 GVFLCDOXRBBUSC-ZDUSSCGKSA-N 322.430 1.753 10 10 DDCE CCOC(=O)[C@H](Cc1ccccn1)NC(=O)c1cc(O)cs1 760920070 FVLOVZRXULJXKR-LBPRGKRZSA-N 320.370 1.753 10 10 DDCE COC(=O)c1cnc(SC[C@H](O)C[C@@](C)(O)C2CC2)s1 871981236 OUQQXTZQOXXXKQ-NOZJJQNGSA-N 317.432 1.934 10 10 DDCE CCOc1ccc(CN[C@@H](C(=O)OC)c2ccn(C)n2)c(O)c1 787438657 SQBHIDBDWIREQG-OAHLLOKOSA-N 319.361 1.528 10 10 DDCE C[C@@H]1CO[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 895495191 OBZVRJFCRZZJEV-WMLDXEAASA-N 318.417 1.907 10 10 DDCE OCc1ccc(N2CC[C@](F)(CO)C2)cc1Br 1917141980 YPDUEXJWLXXOFY-GFCCVEGCSA-N 304.159 1.852 10 10 DDCE C[C@H](NC(=O)C(=O)N1CC2CC1(C)C2)c1ccc(N(C)C)cc1 1328034280 AZTSKJRKXIEOEY-ZVLZOBCMSA-N 315.417 1.941 10 10 DDCE CCCN(CC(C)(C)O)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329796304 LMCZSLHDPBKDQA-UHFFFAOYSA-N 320.389 1.244 10 10 DDCE Nc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 1328973472 UESJLSNAJHJEBT-OLZOCXBDSA-N 309.391 1.452 10 10 DDCE C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCS1 1330549792 AELNGSGASBKQMR-SNVBAGLBSA-N 306.387 1.198 10 10 DDCE C[C@H]1COC(C)(C)CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1335613804 OWRWJFSDWHUVEK-NSHDSACASA-N 318.373 1.260 10 10 DDCE C[C@@H](CNC(=O)c1cc(O)c(O)c(O)c1)CC1(C)OCCO1 2132401263 SNFQIIXJZUEMGZ-SECBINFHSA-N 311.334 1.322 10 10 DDCE C[C@H](NC(=O)N1Cc2cccc(O)c2C1)[C@H]1CN(C)CCN1C 1519902352 LXRNJPXAHFGVMN-SWLSCSKDSA-N 318.421 1.052 10 10 DDCE O=C1Cc2c(C(=O)N3C[C@@H](O)Cc4ccccc43)ccnc2N1 1297177846 ASUAAGSEJXZTLG-NSHDSACASA-N 309.325 1.140 10 10 DDCE CN(C(=O)/C=C\c1cn(C)cn1)c1ccc(C(F)(F)F)nn1 1524727148 MYLCBNWRFIVVKW-UTCJRWHESA-N 311.267 1.905 10 10 DDCE COCC[S@@](C)(=O)=NC(=O)CCOc1ccc(N)cc1 1918074055 HNHWSVILOWAPTP-HXUWFJFHSA-N 300.380 1.309 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](N2CCCC2=O)C1 1611139487 ZDNHIZCVHSQBFK-SECBINFHSA-N 308.309 1.074 10 10 DDCE O=C1C[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)N1 1556879328 KTSXGLCWSBSMJT-LLVKDONJSA-N 307.313 1.223 10 10 DDCE CC[S@](C)(=O)=NC(=O)c1cc(NS(C)(=O)=O)ccc1O 1558468134 TXKLLOONZVKDAU-IBGZPJMESA-N 320.392 1.022 10 10 DDCE CC(C)Cn1cccc(C(=O)NCc2c(O)cccc2O)c1=O 1558536154 VAKJKAFSIAEZQE-UHFFFAOYSA-N 316.357 1.846 10 10 DDCE CC(=O)Nc1cnccc1C(=O)NCCc1ccc(O)c(O)c1 1631516754 GLWRGTAHDSMRIH-UHFFFAOYSA-N 315.329 1.424 10 10 DDCE O=C1COc2cc(C(=O)NCc3c(O)cccc3F)ccc2N1 1638858577 WVIMEISISOTNMA-UHFFFAOYSA-N 316.288 1.792 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1ccn(CC(F)(F)F)n1 1566359690 KIKQHAPSNVOERN-UHFFFAOYSA-N 315.251 1.787 10 10 DDCE Cc1oc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1CO 1567467707 PNPKCVHMUBGTPM-VIFPVBQESA-N 305.330 1.853 10 10 DDCE CO[C@@H]1COCC[C@@H]1N(C)C(=O)c1ccc(N=NC(N)=O)cc1 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1.877 10 10 DDCE C[C@H](N)c1ccc(N(C)CCC(N)=O)c(Br)c1 723199846 BUKNISVDSNFQNX-QMMMGPOBSA-N 300.200 1.780 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H]3C[C@H](OC(C)(C)C)C3)c2n1 2062669593 SWXFESWJHCOAGF-XYPYZODXSA-N 318.377 1.819 10 10 DDCE O=C(NC1CC1)c1cnn(Cc2ccc([N+](=O)[O-])cc2O)c1 2069956935 CTULCJYGZWGSQZ-UHFFFAOYSA-N 302.290 1.437 10 10 DDCE CN(CCN)S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2042980751 KSAAXLWOTFSPDJ-UHFFFAOYSA-N 314.194 1.246 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(Br)c1 2043181671 JNXYGCFVNVFOAP-IEBDPFPHSA-N 316.195 1.434 10 10 DDCE O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)C1CC(O)C1 2053136965 RRSAVIWSAVJUBN-UHFFFAOYSA-N 312.174 1.964 10 10 DDCE CO[C@H]1C[C@@](CO)(NCc2cccc(Br)c2O)C1 2077896976 IUJMMSJDVQTFAT-GSJFWJNXSA-N 316.195 1.784 10 10 DDCE CC1(C)OC[C@@H](NCc2cc(Br)ccc2O)[C@@H]1O 2078740132 WWOHZDKJEDUFML-PWSUYJOCSA-N 316.195 1.783 10 10 DDCE CN(C)c1ccc([C@@H](NN)c2nc(Br)cn2C)cc1 2104510775 MHUCZRAXJVVCRW-GFCCVEGCSA-N 324.226 1.801 10 10 DDCE C[C@@H]1CCS[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2094458885 XBTUFPHFCZOJER-MFKMUULPSA-N 300.449 1.830 10 10 DDCE CS(=O)(=O)c1cscc1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 2272847053 UUULTEOJBRMDGX-SSDOTTSWSA-N 300.365 1.676 10 10 DDCE CN(Nc1nc(C(F)(F)F)cs1)S(=O)(=O)C1CC1 2317484643 KIERRZHGIRYOEO-UHFFFAOYSA-N 301.315 1.913 10 10 DDCE COc1ccc(N2CCN(CC(=O)N3CCCCC3)CC2)cc1 58127072 FWIKGASCSLANIV-UHFFFAOYSA-N 317.433 1.830 10 10 DDCE COc1ccc(C2=NN(CCO)C(=O)/C2=C/c2ccc[nH]2)cc1 102041434 AVFZTVQYCFHJRI-RVDMUPIBSA-N 311.341 1.646 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)F 1261857161 CBRVNSJIBLULDH-UHFFFAOYSA-N 310.369 1.995 10 10 DDCE CCOCCOCC(=O)NCc1ccc(N2CCOCC2)cc1 127669001 XPIYJYVMEIJUQB-UHFFFAOYSA-N 322.405 1.193 10 10 DDCE NS(=O)(=O)CCCCCCNCc1cc(Cl)ccc1O 2364234655 KXHULYWAOSJCQJ-UHFFFAOYSA-N 320.842 1.984 10 10 DDCE CN[C@@H](CO)c1cc(I)cc(C)c1O 238363212 XGDNUZGPFAGXCJ-VIFPVBQESA-N 307.131 1.558 10 10 DDCE CO[C@@H]1COCC[C@H]1CC(=O)NCc1ccc(N(C)C)cc1 294611041 ZYSMHDJZYILFKQ-GOEBONIOSA-N 306.406 1.810 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)[C@@H](C)N)C2)cc1 818654626 CXSBXXXNNBURDN-MGPQQGTHSA-N 320.437 1.556 10 10 DDCE C[C@@H]1CC[C@@H](O)CN1CC(=O)NCc1ccc(N(C)C)cc1 817289107 SNELIURGQWOKIJ-CZUORRHYSA-N 305.422 1.214 10 10 DDCE CN(C)c1ccc(CNC(=O)Cc2cn(C)nc2Cl)cc1 814377298 PONURIAKVQIDAC-UHFFFAOYSA-N 306.797 1.998 10 10 DDCE N[C@@H](c1cc(Cl)cc(Br)c1O)[C@@H](O)C(=O)O 1952153900 WNMAXEMYWRPRRK-POYBYMJQSA-N 310.531 1.253 10 10 DDCE C[C@@H](NC(=O)c1cnc2n1CCOC2)c1ccc(N(C)C)cc1 832431220 LOLDUIMJXXAKPK-GFCCVEGCSA-N 314.389 1.970 10 10 DDCE O=C(NCc1ccccc1O)C(=O)Nc1ccc2c(c1)CCO2 748475001 DWXKBINCLKCMMP-UHFFFAOYSA-N 312.325 1.582 10 10 DDCE CN1CCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 741080453 AITLMMRUSUOFSU-MRXNPFEDSA-N 314.433 1.956 10 10 DDCE C[C@@H]1CCNC[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 841761978 SPZINKHSVOEQKD-BXUZGUMPSA-N 308.401 1.689 10 10 DDCE CO[C@@]1(CO)CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 855445015 ROQFOQNILBGCFS-LEXSJLIMSA-N 307.346 1.111 10 10 DDCE O=C1N=C(N2CCOCC2)S/C1=C/c1cn(C2CC2)cn1 865217758 OJBHJNJSHJTOAW-KPKJPENVSA-N 304.375 1.521 10 10 DDCE COc1cccc(CNC(=O)/C=C/COC2CCOCC2)c1O 866763562 LVUDJFFQKKWWHK-ZZXKWVIFSA-N 321.373 1.769 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NCc2cc(C(N)=O)co2)c1 779069385 RJJLQKIGNLDPRZ-SECBINFHSA-N 318.329 1.722 10 10 DDCE CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1149258056 XMNLUXFTQNGMME-VIFPVBQESA-N 305.338 1.303 10 10 DDCE Oc1cccc2c1[C@H](NCc1nc(O)c3c(n1)CCOC3)CC2 1331971027 INKNTGHCDJVIEA-CYBMUJFWSA-N 313.357 1.738 10 10 DDCE O=C(Nc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2F)c1)[C@@H]1C[C@@H]1F 1347278289 HWCWWTONVRFADY-USZNOCQGSA-N 310.300 1.663 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@@](C)(CC(=O)O)C(=O)O)cc1 1350669103 XUKJOMCMGXFFDN-LAQIPUCWSA-N 320.389 1.921 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N(CCO)CCc1ccccc1 1295190817 RWCYSKGCAFKTJW-UHFFFAOYSA-N 315.369 1.704 10 10 DDCE CN(CCF)c1cc2c(cc1Br)[C@H](O)C(=O)N2 1917024609 GOOMVFSSVNWWGU-JTQLQIEISA-N 303.131 1.840 10 10 DDCE O=CC1=S=C(C(=O)Nc2nnc(-c3ccncc3)s2)C=C1 1546025713 QGFHPRORQLFBNX-UHFFFAOYSA-N 316.367 1.385 10 10 DDCE CC(C)Oc1c[nH]ccc1=NC(=O)Cc1ccc(O)c(O)c1 1558730593 AWYDYRWHCFWKAM-UHFFFAOYSA-N 302.330 1.883 10 10 DDCE CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1634753376 KJFKUZRTHYUWHJ-LYRGGWFBSA-N 305.374 1.960 10 10 DDCE Cn1ncc(C2CC2)c1CNC(=O)Cc1ccc(O)c(O)c1 1645642033 FMTIJXMKFHGWNH-UHFFFAOYSA-N 301.346 1.568 10 10 DDCE CCC(CC)[C@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 230445447 MIFYJZGBMWSLQO-CQSZACIVSA-N 300.424 1.485 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2cc(C)[nH]n2)cc1C 1662174618 HVSGVPANHHCJBG-CYBMUJFWSA-N 316.405 1.943 10 10 DDCE CCON1CCC(CC(=O)NCc2cc(O)ccc2O)CC1 1593881081 FKSQXNZTZULLAY-UHFFFAOYSA-N 308.378 1.768 10 10 DDCE COCCN1[C@@H](C)CN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C 155267199 RBBGMAXJFOTZKP-STQMWFEESA-N 322.405 1.662 10 10 DDCE CNC(=O)COc1cccnc1NC(=O)Oc1ccc(N)cc1 1858694885 HVTVPAKLFUHORD-UHFFFAOYSA-N 316.317 1.400 10 10 DDCE NCc1ccc(N2C[C@@H]3[C@H](CCCS3(=O)=O)C2)c(Cl)c1 2145065413 VEAWYDNMJIRZLC-BXUZGUMPSA-N 314.838 1.812 10 10 DDCE C[C@H](NCc1ccc(F)c(F)c1O)[C@@H]1CCS(=O)(=O)C1 2146101730 ZPPZVBMLCXISME-WCBMZHEXSA-N 305.346 1.583 10 10 DDCE Cc1nncn1CCNCc1c(O)cccc1Br 706863837 QFOQYUMFIFZKIU-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE CCCN(CC(N)=O)c1cc(Br)c(CN)cc1F 386280919 ZPBBYDAERARPQA-UHFFFAOYSA-N 318.190 1.749 10 10 DDCE CC(C)OCC(C)(C)NS(=O)(=O)Cc1ccc(N)cc1 396356586 IOVBCVXREGAPRA-UHFFFAOYSA-N 300.424 1.892 10 10 DDCE CCN(c1ccc([C@@H](C)N)c(O)c1)[C@H](C)CS(C)(=O)=O 2170403175 MTZSHKVLPHTTCO-GHMZBOCLSA-N 300.424 1.671 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1O 2170633507 PZMRHGTVPKIMGM-HBNTYKKESA-N 300.424 1.670 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@]4(CO)CCC[C@@H]34)c2n1 2064391871 RZQVZDOHCGUZQO-MLGOLLRUSA-N 316.361 1.120 10 10 DDCE C[C@@H]1C[S@@](=O)CCN1c1cc2c(cc1Cl)[C@H](N)C(=O)N2 2171962021 DVFVRQAIWVILMQ-DKZRERMLSA-N 313.810 1.249 10 10 DDCE CCS(=O)(=O)CCN(C)c1c(F)cc([C@@H](C)O)cc1F 2194514690 QQIBXRMFEWJSLZ-SECBINFHSA-N 307.362 1.889 10 10 DDCE NCc1ccc(N2[C@H]3CC[C@H]2C(=O)NC3)c(Br)c1 2052289857 JQAXZHYHBBKNFB-CABZTGNLSA-N 310.195 1.375 10 10 DDCE CO[C@H]1C[C@@](CO)(NCc2cc(Br)ccc2O)C1 2077897399 NXHOLJQLISBWFM-BJHJDKERSA-N 316.195 1.784 10 10 DDCE CN[C@H](C)c1ccc(N(C)C2CS(=O)(=O)C2)cc1Cl 2095904757 RNIUQYKTWBPBCN-SECBINFHSA-N 302.827 1.854 10 10 DDCE OCc1ccc(N2C[C@@H](O)C[C@H](F)C2)cc1Br 2213893704 MYYWCODWOBLNQH-ONGXEEELSA-N 304.159 1.851 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](CC(=O)O)C2CC2)s1 2284536349 FNVDJLLESCCDCD-SECBINFHSA-N 315.420 1.918 10 10 DDCE COc1cc(OC)c(N(C)[C@@]2(CN)CCOC2)cc1Cl 2285937449 RVXCDPBWUBRSRE-CQSZACIVSA-N 300.786 1.911 10 10 DDCE CO[C@@H]1CCC[C@@]1(NCc1cnc(SC)s1)C(=O)O 2347362236 OGOUTZREYXGDBU-SKDRFNHKSA-N 302.421 1.977 10 10 DDCE COCCN1[C@@H](C)CN(Cc2cc(OC)ccc2O)C[C@@H]1C 180300299 VKTRJYKXZXYAEU-KBPBESRZSA-N 308.422 1.942 10 10 DDCE CCOC(=O)CNCc1ccc(N2CCC(O)CC2)c(F)c1 194265005 FEIGBQUTIHMNGL-UHFFFAOYSA-N 310.369 1.440 10 10 DDCE COc1cc(Cl)cc(CNc2cnn(CC(N)=O)c2)c1O 229050512 OGBSJGUPAWCFSX-UHFFFAOYSA-N 310.741 1.348 10 10 DDCE N[C@@H](CCCO)c1cccc(I)c1O 95769571 YFCDKANTRGQBCU-VIFPVBQESA-N 307.131 1.769 10 10 DDCE O=C1CN(Cc2ccccc2O)C(=O)N1CC[C@@H]1CCOC1 819168893 VAVMENRQSLGWAW-GFCCVEGCSA-N 304.346 1.583 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=O)[C@@H](O)C3CCC3)C2)cc1 819586876 DOJJGJSXTRTIJH-GUYCJALGSA-N 318.417 1.799 10 10 DDCE CC(C)(O)[C@@H](O)C(=O)N(Cc1ccco1)Cc1ccccc1O 901054119 BAXMKJJRCACTSG-HNNXBMFYSA-N 319.357 1.646 10 10 DDCE COc1ccc(N2CC[C@@H](N[C@@H](C)c3cn(C)nn3)C2)cc1 903047357 MEGCXGJMJVMFJP-QWHCGFSZSA-N 301.394 1.753 10 10 DDCE C[C@]1(C(=O)NCc2cc(Cl)ccc2O)CCCS1(=O)=O 911899277 UYKWKRUWIYZPNF-CYBMUJFWSA-N 317.794 1.629 10 10 DDCE COC(OC)[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 915367277 YUALRNVBCSQKDL-JTQLQIEISA-N 313.373 1.698 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@]1(O)CCOC1 844993335 VSKWUPNSAZCAPQ-KRWDZBQOSA-N 321.421 1.402 10 10 DDCE CC(C)(C)OC(=O)N1CC([C@@H](N)Cc2ccc(O)c(O)c2)C1 1952901888 IMUPBOBAJQUMTN-LBPRGKRZSA-N 308.378 1.835 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)c2coc(OC)n2)cc1 862129120 MXGIIWAFKKJGTD-UHFFFAOYSA-N 319.361 1.900 10 10 DDCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3=CCC3)cc2)C1 779853534 IDEMQRDQNAEKGS-HNNXBMFYSA-N 313.401 1.725 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCO[C@H](OC)C2)c([N+](=O)[O-])c1 784542133 NVEWWLQLDAQIDL-VOKGJARPSA-N 322.317 1.590 10 10 DDCE C[C@@H]1NC(=O)CC[C@@H]1NCc1c(O)cccc1Br 706863871 VHOIUUOMXYURGT-KWQFWETISA-N 313.195 1.911 10 10 DDCE CCOC[C@H](O)CNCc1cc(Br)cc(F)c1O 715748118 ZJEIRNZZSFXGJR-SNVBAGLBSA-N 322.174 1.781 10 10 DDCE COC(=O)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)CC1CC1 1144999140 JVBAOCPHABFBDF-GFCCVEGCSA-N 307.346 1.346 10 10 DDCE COc1ccc(CNC/C=C\CNC(=O)c2cn[nH]c2)cc1C 1320979025 MWAKDLYWAXNEAU-ARJAWSKDSA-N 314.389 1.803 10 10 DDCE Cc1ccc(O)c(CNC2(CO)CN(C(=O)OC(C)(C)C)C2)c1 1918435466 PRGAZLVPKHTWGC-UHFFFAOYSA-N 322.405 1.772 10 10 DDCE Nc1ccc(CC(=O)N2CCN3[C@@H](COC[C@H]3C3CC3)C2)cc1 1615738455 PRWGRPRZPCGGLH-SJORKVTESA-N 315.417 1.133 10 10 DDCE CNC(=O)OC[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 1625663105 CCJLRNBQDAPTFU-LBPRGKRZSA-N 322.361 1.377 10 10 DDCE CCOCC(=O)N(C)C[C@@H](C)NCc1ccc(OC)c(C)c1 1485843002 PEYGLFWWEKDEMS-CQSZACIVSA-N 308.422 1.977 10 10 DDCE COc1ccc(CNC(=O)c2ncoc2-c2ccon2)c(O)c1 1568098168 VZOLRANFWZBFHK-UHFFFAOYSA-N 315.285 1.974 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2nonc2c1 1638347754 LMCBOVLVPMJDKM-SECBINFHSA-N 313.313 1.995 10 10 DDCE CN(C)CCNC(=O)c1cccc2c(N)c3ccc(N)cc3nc12 207105324 UZHVEQZSNGCIFP-UHFFFAOYSA-N 323.400 1.844 10 10 DDCE CN(C)c1ccc2c(c1)CN(C(=O)c1ccnn1C)CCO2 823736390 ZCJWTEJOUUMGPE-UHFFFAOYSA-N 300.362 1.521 10 10 DDCE CN1CCN(c2ccc(CN3CC[C@]34CCOC4)cc2)CC1 1139410794 FLHNGNHXCRECFI-GOSISDBHSA-N 301.434 1.803 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)CCC(N)=S 1877528471 FPTZCZBDSWNZOW-SECBINFHSA-N 302.421 1.391 10 10 DDCE O=C(O)CCc1cnc(Sc2ncc([N+](=O)[O-])s2)[nH]1 2142278865 IYLOVBFPIWREEW-UHFFFAOYSA-N 300.321 1.943 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)c1ccc(O)c(O)c1 1962353140 HSYKRZUHFBFZFJ-VHSXEESVSA-N 308.334 1.493 10 10 DDCE C[C@@H](NC[C@H]1CCS(=O)(=O)N1C)c1ccc(F)cc1O 1967490824 RWQDYMHNUFHVCC-MWLCHTKSSA-N 302.371 1.216 10 10 DDCE COC(=O)[C@@H](C)S(=O)(=O)N(C)[C@H](C)c1ccccc1O 251555962 RIYABDQGFYEPEJ-NXEZZACHSA-N 301.364 1.276 10 10 DDCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H]1COC[C@H]1O 1977930331 URSBWPBCCSLTMT-LSDHHAIUSA-N 322.405 1.907 10 10 DDCE CC(C)NCc1ccc(N2CCS(=O)(=O)CC2)c(F)c1 36162827 GSPPSCFIKCIHQY-UHFFFAOYSA-N 300.399 1.559 10 10 DDCE CC(C)S(=O)(=O)C[C@H](C)NC(=O)c1cccc(O)c1O 2170586411 UDTRCLXNADTICR-VIFPVBQESA-N 301.364 1.039 10 10 DDCE NC[C@H]1C[C@@H](O)CN1Cc1cc(Br)cc(F)c1O 2060808321 VUWRELQFMLWFOO-NXEZZACHSA-N 319.174 1.188 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)c(Cl)c1 2205604522 YNUPHGFZQUKNFI-AIUZOBBOSA-N 302.777 1.500 10 10 DDCE CSc1ncc(CN[C@H]2CCCN(S(C)(=O)=O)C2)s1 2208468295 SIPGTADBLJMFCF-VIFPVBQESA-N 321.493 1.379 10 10 DDCE CCCN=c1[nH]sc(=NCc2cnc(SC)s2)[nH]1 2257133924 WQLMUOIVFFLQNY-UHFFFAOYSA-N 301.466 1.994 10 10 DDCE C[C@H](OCCCS(C)(=O)=O)C(=O)Nc1ccc(N)cc1 2295829923 BXINCVCFYNRGMA-JTQLQIEISA-N 300.380 1.047 10 10 DDCE Cc1ccc(CNCC[C@H](O)CO)c(O)c1Br 2307477521 NIKZIWYTXLBSAN-JTQLQIEISA-N 304.184 1.296 10 10 DDCE CSc1ncc(CN[C@](C)(C(=O)O)[C@@H](N)C(C)C)s1 2350655669 PCHSNPGHZQZFKN-CABZTGNLSA-N 303.453 1.781 10 10 DDCE CN(C[C@H]1CCCCO1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1348597156 QWBUTYIYHSOBDW-CYBMUJFWSA-N 318.373 1.262 10 10 DDCE C[C@H]1CCCC[C@@H]1NC(=O)CCN1C(=O)CSC1=S 1865765169 SVZNRURXWUKVNX-UWVGGRQHSA-N 300.449 1.932 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCCSCC3)cc2N1 301702360 UFDYUZHGTGZQEI-UHFFFAOYSA-N 309.347 1.869 10 10 DDCE O=S1CCN(Cc2cc(OC(F)(F)F)ccc2O)CC1 2361152783 DNMDQAMECQTWNK-UHFFFAOYSA-N 309.309 1.855 10 10 DDCE Cc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCC3)c(O)c1O 182819070 BCVJZRNJINICJR-SNVBAGLBSA-N 316.361 1.825 10 10 DDCE CC(=O)N(C(=O)NC(=O)c1ccc(N)cc1)c1ccc(N)cc1 243440253 NBKAPLVKFUKRSQ-UHFFFAOYSA-N 312.329 1.754 10 10 DDCE O=S1(=O)CC(NCc2cccc(Br)c2O)C1 379908510 ALZQKJBSNXTEAL-UHFFFAOYSA-N 306.181 1.041 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 808503041 CPEDPIOQPPRHGI-UHFFFAOYSA-N 317.257 1.095 10 10 DDCE COc1ccc(N2CC[C@@H](CNS(=O)(=O)CC3CC3)C2)cc1 819888406 VKQHBRQQNJHKBK-AWEZNQCLSA-N 324.446 1.851 10 10 DDCE CCn1nnc(C)c1C(=O)N[C@@H](C)c1cc(OC)ccc1O 825737298 YJHIOUFDGPTBLG-VIFPVBQESA-N 304.350 1.812 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)C12CCN(CC1)C2 900896476 WZFZMKXMQXLNOG-UHFFFAOYSA-N 301.390 1.574 10 10 DDCE CO[C@](C)(CO)CNC(=O)NCc1ccc(N(C)C)c(F)c1 847301760 BZJGWSFGULEHJK-HNNXBMFYSA-N 313.373 1.088 10 10 DDCE CCOC(=O)c1cnc(NC(=O)NCc2ccccc2O)n1C 841713051 JILSOJPHTXEDAN-UHFFFAOYSA-N 318.333 1.624 10 10 DDCE CCOCCOC[C@@H](O)CNCc1c(O)cc(C)cc1Cl 840941899 POXDSGXNBDAOCK-LBPRGKRZSA-N 317.813 1.858 10 10 DDCE C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1ccc(N(C)C)cc1 843429076 RFRLZVLWGWWSLL-CQSZACIVSA-N 304.438 1.304 10 10 DDCE C[C@H](N)[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 841729807 JQRBFPCGXXZDBY-STQMWFEESA-N 306.410 1.058 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@@H](N)COC(C)C)cc1 851630140 GVZLGUXGPOYXQK-INIZCTEOSA-N 307.438 1.901 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](O)CCSC)C2)cc1 855233786 MVAKNEUDCGSGPP-DOMZBBRYSA-N 324.446 1.504 10 10 DDCE COC(=O)CCNC(=O)CCN[C@@H](C)c1cccc(OC)c1O 858542473 WLJBOPPUIYUHHB-NSHDSACASA-N 324.377 1.121 10 10 DDCE C[C@@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc2ccccc2c1O 927024433 KIKXSCJDBZRANJ-DGCLKSJQSA-N 323.414 1.602 10 10 DDCE Cc1ccc(O)c(CNC(=O)NC[C@H]2CN(C3CC3)C(=O)O2)c1 858594128 IWHPKUKMHXAFHB-ZDUSSCGKSA-N 319.361 1.483 10 10 DDCE CN(C)c1ccc([C@@H](N)CNC(=O)C2(N)CC3(CCC3)C2)cc1 852792169 SQMZLJOTLTYLFP-HNNXBMFYSA-N 316.449 1.530 10 10 DDCE COc1ccc(N2CC[C@H](N[C@H](C)C[C@H]3COCCN3)C2)cc1 854216720 DHRYTJMZQQWIRA-PMPSAXMXSA-N 319.449 1.631 10 10 DDCE C[C@H](NS(=O)(=O)N1CCCOCC1)c1ccccc1O 867836562 XSJGVGPMGYDCHY-NSHDSACASA-N 300.380 1.010 10 10 DDCE C[C@H](NCC(C)(C)CS(N)(=O)=O)c1cc(F)ccc1O 866571232 BCQKUOIBXWYBPO-VIFPVBQESA-N 304.387 1.497 10 10 DDCE Cn1cc(/C=C\C(=O)N2Cc3cnnn3Cc3ccccc32)cn1 787544446 RZYCFQYEXIANDO-SREVYHEPSA-N 320.356 1.620 10 10 DDCE CSCc1n[nH]c(CNCc2ccc(F)c(F)c2O)n1 895813176 FPXKEMWTXABMBK-UHFFFAOYSA-N 300.334 1.941 10 10 DDCE CC(=O)N1CCC[C@@H](C(=O)NCc2cccc(Cl)c2O)C1 890757532 GXNGOLGGZAVJES-GFCCVEGCSA-N 310.781 1.920 10 10 DDCE C[C@H]1SCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H]1C 1329365209 JQJCAWIUZOFTHW-GHMZBOCLSA-N 320.414 1.587 10 10 DDCE CC(=O)C(=O)COC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1 1329371216 FCZDFWULLBFLMR-UHFFFAOYSA-N 313.350 1.333 10 10 DDCE [N-]=[N+]=NC[C@H]1CCN(CCOC2CCS(=O)(=O)CC2)C1 1912180954 IKISDRCUNKEWRV-LLVKDONJSA-N 302.400 1.212 10 10 DDCE Cc1cc(C(=O)NCc2ccc(O)cc2O)c2cnn(C)c2n1 1451772434 WCOXBOMEUAWMPH-UHFFFAOYSA-N 312.329 1.618 10 10 DDCE NC(=O)CSc1ccccc1NC(=O)c1cccc(O)c1O 1463747164 XSRGZMGBUSNVST-UHFFFAOYSA-N 318.354 1.928 10 10 DDCE CCOc1ncccc1CNC(=O)Cc1ccc(O)c(O)c1 1543229552 GUHLGGVDPKMRGA-UHFFFAOYSA-N 302.330 1.750 10 10 DDCE COC(=O)C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1635639735 MIHZITBJECCFDF-GFCCVEGCSA-N 318.333 1.921 10 10 DDCE O=C(CNC(=O)c1cccc(F)c1)NCc1cc(O)ccc1O 1633595203 LTSFETDRANTCHJ-UHFFFAOYSA-N 318.304 1.283 10 10 DDCE CC(C)(C)OC(=O)NCCC(=O)NCc1c(O)cccc1O 1647177825 IIAOQBDTFQHHGE-UHFFFAOYSA-N 310.350 1.629 10 10 DDCE CC1=NN(C(N)=S)C(=O)[C@@H]1N=Nc1cccc(C(=O)O)c1 253966661 GVTUQMUKTOYUOX-SECBINFHSA-N 305.319 1.299 10 10 DDCE OC[C@H]1COC[C@H]1NCc1c(O)cccc1Br 1942687937 KEJJNXSFAPFHPK-GZMMTYOYSA-N 302.168 1.252 10 10 DDCE O=S1(=O)CCC[C@@H]2CN(c3ccc(CO)c(Cl)c3)C[C@@H]21 2145046898 RWNMANSXGOQXQQ-YGRLFVJLSA-N 315.822 1.846 10 10 DDCE COC[C@@]1(O)CCN(c2ccc(CN)c(Br)c2)C1 2034417582 BYKYBVJBQGYVEZ-CYBMUJFWSA-N 315.211 1.495 10 10 DDCE C[C@H]1C(=O)NCCN1c1cc(Br)c(CN)cc1F 310662576 WSXHRHKTUCXYCC-ZETCQYMHSA-N 316.174 1.372 10 10 DDCE CC(C)[C@@H](C)CNS(=O)(=O)CCOc1ccc(N)cc1 81040192 LNYBPWLOYPQHTL-LBPRGKRZSA-N 300.424 1.859 10 10 DDCE CN(Cc1ccc(F)c(F)c1O)C1CC(S(C)(=O)=O)C1 716087553 QPAKZVAFQUOCJK-UHFFFAOYSA-N 305.346 1.678 10 10 DDCE CN(C)[C@H]1[C@@H]2CN(c3ccc(CN)c(Br)c3)C[C@@H]21 384670191 XTTIRBKFTUUBLK-IMRBUKKESA-N 310.239 1.904 10 10 DDCE CN([C@H](CCO)C(F)F)S(=O)(=O)Cc1ccc(N)cc1 2178512947 XZFARKLTVVLNLO-LLVKDONJSA-N 308.350 1.047 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC3CC(C(F)(F)F)C3)c2n1 2062373932 QYAGJWZFVMNWLC-UHFFFAOYSA-N 314.267 1.814 10 10 DDCE COc1ccc(CNC(=O)[C@@H]2CCCc3nnn(C)c32)c(O)c1 2063723180 VFLHLKYDCWCUEY-GFCCVEGCSA-N 316.361 1.266 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccnn1[C@@H]1CCOC1 1179341668 FNGBRDJLBWQWNU-LLVKDONJSA-N 303.318 1.437 10 10 DDCE O=C(NCC(F)(F)C(F)(F)F)c1cc(O)c(O)c(O)c1 2188923499 LILDYLLZZNDTLX-UHFFFAOYSA-N 301.167 1.731 10 10 DDCE C[C@H](O)CN(C[C@@H](C)O)c1ccc(CN)cc1Br 2041735632 GGPIXVQFYLTZIE-AOOOYVTPSA-N 317.227 1.476 10 10 DDCE CC1(C)C[C@H](S(C)(=O)=O)CN1Cc1ccc(F)cc1O 2204660939 OIFAKGIEIMXJEZ-LBPRGKRZSA-N 301.383 1.929 10 10 DDCE CSc1ncc(CNC(=O)C[C@H]2C[C@H](N)CCO2)s1 2269095081 LAOITZOLRZZKMJ-RKDXNWHRSA-N 301.437 1.378 10 10 DDCE COCCCNC=C1C(=O)NC(=O)N(c2cccc(C)c2)C1=O 2293370017 LOIOGQDDIXCRIF-UHFFFAOYSA-N 317.345 1.088 10 10 DDCE CSc1ncc(CNC(=O)N2CCC(C(=O)O)CC2)s1 2284502362 WPGVWVDZVYUVRR-UHFFFAOYSA-N 315.420 1.871 10 10 DDCE CNS(=O)(=O)c1ccc(NCc2cccc(O)c2O)cc1 41117524 FCTKWFIMPMLFFF-UHFFFAOYSA-N 308.359 1.618 10 10 DDCE COCCNC(=O)N1CCN(c2ccc(OC(C)C)cc2)CC1 244291234 WVTZOYANMQCCBK-UHFFFAOYSA-N 321.421 1.952 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C 808539963 KTIWAAPJEQACFV-MWLCHTKSSA-N 313.350 1.333 10 10 DDCE Cc1cc(O)nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 816029284 ZTUDTCXINQABRH-JTQLQIEISA-N 302.330 1.868 10 10 DDCE COCC[C@@H](COC)NC(=O)NCc1cc(OC)ccc1O 812043495 MSURWNCTKUKSDD-LBPRGKRZSA-N 312.366 1.252 10 10 DDCE Oc1ccc([C@@H](CC(F)(F)F)N2CCNCC2)c(O)c1O 575288325 XUKOHTOLDWEBLG-SECBINFHSA-N 306.284 1.702 10 10 DDCE O=C1N=C(N2CCOCC2)S/C1=C\c1cn(C2CCC2)nn1 849243493 JYBXDNKKFIIBJD-WQLSENKSSA-N 319.390 1.306 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 849909528 KQXWKPXHTDIUDH-LLVKDONJSA-N 321.304 1.270 10 10 DDCE CC(=O)C(=O)[C@H](O)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 1894251246 KIELLZHNWHLAMW-PSASIEDQSA-N 307.293 1.150 10 10 DDCE C[C@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)[C@@H](C)N 841852086 CLOTXMPTVZEHNS-ZJUUUORDSA-N 304.419 1.782 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](O)C(C)(C)C)C2)cc1 855233753 MIHFTCVCULTFMQ-IUODEOHRSA-N 306.406 1.797 10 10 DDCE CN1CCOC[C@H]1CNCc1cc(Cl)cc([N+](=O)[O-])c1O 858276264 MCVWHHXZEFOSRO-LLVKDONJSA-N 315.757 1.374 10 10 DDCE CN(C)c1cc(F)c(CNC[C@H](O)[C@@H]2CCCO2)cc1F 858227643 WLMQRHVYCNWJFB-GJZGRUSLSA-N 300.349 1.660 10 10 DDCE CC(C)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N(C)C 759590366 WORFOLAQKOPITK-VFADXPBXSA-N 307.346 1.767 10 10 DDCE O=C(CN1CCCCCCC1=O)NCc1c(O)cccc1F 928712225 OXWHXZHITOETPL-UHFFFAOYSA-N 308.353 1.940 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H]3CCC(=O)NC3(C)C)C2)cc1 850487844 POFMBVRYBMSWLT-XJKSGUPXSA-N 317.433 1.921 10 10 DDCE O=C1CC[C@@H]2CN(Cc3cc4c(cc3O)CCC4)CC[C@H]2N1 853556004 UXZIVBUGBFGDSA-GDBMZVCRSA-N 300.402 1.981 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)N1Cc2cccc(O)c2C1 867690785 MWQXMKHBETUSSF-UHFFFAOYSA-N 313.766 1.484 10 10 DDCE COC[C@H]1C(=O)N[C@H](c2c(O)cccc2Br)N1C 864387547 JXNDJSDLVIJLIF-KWQFWETISA-N 315.167 1.230 10 10 DDCE O=C(OCC(=O)N1CCOC[C@H]1C1CC1)c1cc(O)cs1 766102268 DKWQJNOPHKWJDI-NSHDSACASA-N 311.359 1.248 10 10 DDCE C[C@H](NC[C@H](O)COC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 775835247 SSAQQMOIPMRPRV-WBAXXEDZSA-N 322.449 1.960 10 10 DDCE CCS(=O)(=O)CCOC(=O)CCOc1ccc(N)cc1 41100846 ROPOKMVVAKIWSB-UHFFFAOYSA-N 301.364 1.016 10 10 DDCE C[C@@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1O 797117807 NGUZKBCDRNVEGH-CHWSQXEVSA-N 312.435 1.857 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccnc2[nH]c(O)nc12 1153885000 ISJNRYAWPLGXDW-UHFFFAOYSA-N 300.274 1.005 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H](C1CCC1)[C@H]1CCOC1 1302621522 RNQSGHVXXHWZHO-SUMWQHHRSA-N 305.374 1.962 10 10 DDCE C[C@H](NC(=O)C(=O)NC1C[C@H]2C[C@@H]2C1)c1ccc(N(C)C)cc1 1328096576 GQMBXAXTYOVRGS-IACUBPJLSA-N 315.417 1.845 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 1912147922 MSVPNOXAQWYVGE-MNOVXSKESA-N 300.384 1.360 10 10 DDCE CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H](CO)O1 1469186164 OFISWXHOXRVCFT-LBPRGKRZSA-N 320.349 1.461 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1Br 2136611932 YEWMHCGWGXUXEJ-XDRUHAPNSA-N 324.222 1.636 10 10 DDCE CN(Cc1c(O)cccc1OC(F)(F)F)[C@H]1COC[C@H]1O 1615623106 QNYDZRPNIJUDAV-GXSJLCMTSA-N 307.268 1.482 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccnn1[C@H]1CCCOC1 1472261905 QLMMXSLAFDHAQF-LBPRGKRZSA-N 317.345 1.827 10 10 DDCE O=C(NCc1c(O)cccc1F)c1nc(-c2cnccn2)no1 1558454152 AFGNZJXCCPSPKI-UHFFFAOYSA-N 315.264 1.301 10 10 DDCE O=C(NC[C@H](O)Cc1cccc(F)c1)c1cccc(O)c1O 1628609346 BTFYRMIJPVZARV-GFCCVEGCSA-N 305.305 1.570 10 10 DDCE Cc1ccc(-n2cnnc2)c(C(=O)NCc2cc(O)ccc2O)c1 1637126467 ZOBCQVHMHIGYEJ-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccnc2[nH]c(O)nc12 1633515646 JXONITMNYIOUEO-UHFFFAOYSA-N 300.274 1.005 10 10 DDCE COc1cc(Cl)cc(CNC2CCS(=O)(=O)CC2)c1O 229050350 SERBXVFMSBSNNE-UHFFFAOYSA-N 319.810 1.721 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cccc(Cn2cncn2)c1 1643103775 FJEUQFNORLMPFM-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC2(CCO)CCOCC2)cc1 1641094240 HXIBUKYZIXIMQC-UHFFFAOYSA-N 320.349 1.510 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC(CC2CCOCC2)C1 1643703257 JEBWFRNWFGJOOQ-UHFFFAOYSA-N 305.374 1.915 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cc3n(n2)CCC[C@@H]3O)c1 1640800420 OHUTZNZCGHTWIN-HNNXBMFYSA-N 301.346 1.654 10 10 DDCE CCOC(=O)CCN(CC)C(=O)[C@H](C)Oc1ccc(N)cc1 1860081844 DYAIEAXFGBBBNV-LBPRGKRZSA-N 308.378 1.838 10 10 DDCE C[C@]1(NC(=O)C(F)(F)F)CCN(CCc2ccc(N)cc2)C1 1977895618 DEJMPWIPXQKETI-AWEZNQCLSA-N 315.339 1.954 10 10 DDCE CCO[C@@H]1C[C@@H](N)[C@@H]1Nc1c(N)cccc1Br 2016954712 HHXYIARNEXGTLP-FOGDFJRCSA-N 300.200 1.948 10 10 DDCE C[S@@](=O)CC[S@](=O)CCCC(=O)Nc1ccc(N)cc1 319512808 ZSSSUOHOBHLAQG-WOJBJXKFSA-N 316.448 1.115 10 10 DDCE COc1ccc(N(C)[C@](C)(CN)CCS(C)(=O)=O)cc1 2160790316 LLWFXKSTKZDIDS-AWEZNQCLSA-N 300.424 1.284 10 10 DDCE CC(C)N(CC(C)(C)O)S(=O)(=O)Cc1ccc(N)cc1 689903169 AENWSMANQCYFAC-UHFFFAOYSA-N 300.424 1.580 10 10 DDCE COc1nscc1S(=O)(=O)Nc1ccc(O)cc1C 714381347 COQYVYQQQWVXMB-UHFFFAOYSA-N 300.361 1.967 10 10 DDCE CS(=O)(=O)CCN(c1c(F)cc(CO)cc1F)C1CC1 2170152883 NQCLEWJOBLEWMQ-UHFFFAOYSA-N 305.346 1.471 10 10 DDCE CCN(CC)S(=O)(=O)CCN(C)Cc1ccccc1O 2192570406 QYIMCEJBQDNGMF-UHFFFAOYSA-N 300.424 1.496 10 10 DDCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)c1ncccc1Br 2056518842 ILNSULYWTGKKAM-JTQLQIEISA-N 313.159 1.445 10 10 DDCE CC1(C)[C@@H](O)[C@@H](O)CN1c1ccc(CO)c(Br)c1 2060876626 WTGNXVNOXXEQHQ-RYUDHWBXSA-N 316.195 1.262 10 10 DDCE CO[C@@H]1C[C@H](NCc2c(O)cccc2Br)C[C@H]1O 2067183456 PAXXATQTOOMBAJ-BZHVJNSISA-N 316.195 1.783 10 10 DDCE N[C@@H]1CC[C@H](CS(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 2087451148 NASAFRCLRNKMMO-DTWKUNHWSA-N 304.799 1.915 10 10 DDCE CC[C@@H]1C[C@@]1(NC(=O)NCc1cnc(SC)s1)C(=O)O 2284552787 AUHMAHZTSADTGM-KRTXAFLBSA-N 315.420 1.918 10 10 DDCE COC(=O)NC[C@@H](C)NCc1c(O)cccc1Br 2258250528 ZKZMLLSHMPZAAL-MRVPVSSYSA-N 317.183 1.989 10 10 DDCE CSc1ncc(CNC(=O)N(C)CCCC(=O)O)s1 2269092701 JXDZHIJEEVTCFZ-UHFFFAOYSA-N 303.409 1.871 10 10 DDCE CCN[C@@H]1CCN(C(=O)NCc2cnc(SC)s2)C1 2269977312 WBQWEQZTSXPHDF-SECBINFHSA-N 300.453 1.758 10 10 DDCE CN=c1[nH]c(=NCc2cnc(SC)s2)c2cc[nH]c2[nH]1 2284712749 NVXHHBDHKUFSQO-UHFFFAOYSA-N 306.420 1.634 10 10 DDCE Cc1nc(Cc2noc(C=Cc3ccc(O)c(O)c3)n2)no1 2308907994 QMIITVGOVMHJSD-UHFFFAOYSA-N 300.274 1.933 10 10 DDCE CC(=O)N1CCN(N=Nc2ccc3c(c2)OCC(=O)N3C)CC1 2330245899 LVLZSPZCVMIJST-UHFFFAOYSA-N 317.349 1.205 10 10 DDCE CC[C@@H]1C[C@](NCc2cnc(SC)s2)(C(=O)O)CO1 2346019030 GXFZFTMQRSKJRG-PRHODGIISA-N 302.421 1.977 10 10 DDCE Cc1nc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)no1 173544987 BMFPXYFLKKTKHK-UHFFFAOYSA-N 303.366 1.786 10 10 DDCE CN(c1ccc(CO)cc1F)[C@@H]1CC[C@@H](S(C)(=O)=O)C1 2361700882 CDVKKOZDYGWLAF-VXGBXAGGSA-N 301.383 1.720 10 10 DDCE O=C(O)c1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)nc1 70330094 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Cc1ccccc1C[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1556213443 YXWRVUBTNNYDMH-OAHLLOKOSA-N 315.369 1.669 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H](C)[C@@H](C)C(=O)O)CC2)cc1 322918801 KFTPALUCWDEEBE-QWHCGFSZSA-N 320.389 1.701 10 10 DDCE C[C@H](CC(N)=O)N(C)c1ccc(CO)cc1Br 1946071508 KLXFWLGWRXSECN-MRVPVSSYSA-N 301.184 1.642 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NCc2cccc(O)c2O)C1 1985826958 FYMWDDUSPXMXNT-AAEUAGOBSA-N 324.377 1.168 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1ccc(N)cc1 1993301742 HUPNOBWSHRTHIG-CYBMUJFWSA-N 323.393 1.161 10 10 DDCE C[C@]1(F)CCN(S(=O)(=O)CCOc2ccc(N)cc2)C1 2152316857 FCHFVEQECHQBFZ-ZDUSSCGKSA-N 302.371 1.411 10 10 DDCE O=C1NC[C@@H](CNCc2cc(Br)ccc2O)O1 2013569842 VWNKECITRFNNSF-SECBINFHSA-N 301.140 1.353 10 10 DDCE COC[C@@]1(O)CCN(c2ccc(CO)cc2Br)C1 2034302419 XCHHBGMKTOOFBR-CYBMUJFWSA-N 316.195 1.529 10 10 DDCE CN(c1ccc(CN)cc1Br)[C@H]1COC[C@@H]1O 709420331 JFBITLVWUANMJZ-RYUDHWBXSA-N 301.184 1.104 10 10 DDCE COc1ccc([C@@H](C)n2ncc(C(=O)N(C)C)c2O)c(O)c1 2070584096 UYDNNMPOLUIEIF-SECBINFHSA-N 305.334 1.614 10 10 DDCE O=S1(=O)C[C@H]2[C@H](CNCc3ccc(F)c(F)c3O)[C@H]2C1 2174618656 LKCUOSRLQHYEJL-OWUUHHOZSA-N 303.330 1.051 10 10 DDCE C[S@](=O)(=NC(=O)c1cc(O)c(O)c(O)c1)N1CCCC1 2188913074 OUYAQAFNWMRXAT-FQEVSTJZSA-N 300.336 1.052 10 10 DDCE Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@@H](O)C[C@@H]1O 2046487502 CXLLRKYPUFODNX-IEBDPFPHSA-N 320.158 1.268 10 10 DDCE Oc1cc(F)ccc1CNCCn1cc(Br)nn1 2084170892 QCBXTTPMIPRXAB-UHFFFAOYSA-N 315.146 1.675 10 10 DDCE COCC[S@@](=O)CCN[C@@H](C)c1ccc(OC)cc1O 2207028119 VELGKGQRQCBPFI-YBTHPKLGSA-N 301.408 1.447 10 10 DDCE COc1ccc(Br)c(CNC(C)(C)C(N)=O)c1O 2220447290 FIRSWPIWWWDFFG-UHFFFAOYSA-N 317.183 1.517 10 10 DDCE CN[C@@H]1CCCN(C(=O)NCc2cnc(SC)s2)C1 2269999063 DKRDQYFFVSZLDP-SECBINFHSA-N 300.453 1.758 10 10 DDCE CSc1ncc(CNC(=O)NCCOCCC(=O)O)s1 2284545131 WLAWVAAESRCBGR-UHFFFAOYSA-N 319.408 1.156 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@H](C)[C@H]2C(=O)O)s1 2284501774 UVWAFHTZDMAMPM-CBAPKCEASA-N 315.420 1.870 10 10 DDCE CCC[C@@H]1NC(=O)[C@@H](C)N(Cc2cnc(SC)s2)C1=O 2284668355 WNBBASRXIMXWOJ-SCZZXKLOSA-N 313.448 1.881 10 10 DDCE COc1cc(OC)c(N2C[C@@H](O)C[C@]2(C)CO)cc1Cl 2285920147 PTRCIMIEEVQMML-LKFCYVNXSA-N 301.770 1.679 10 10 DDCE COC1CN(CCNCc2c(O)cccc2Br)C1 2317707936 ODANUWVHUOPXLN-UHFFFAOYSA-N 315.211 1.575 10 10 DDCE COc1ccc(N2CCN(C(=O)NCC3(C)COC3)CC2)cc1 171855928 PHSASHCYNMMMHO-UHFFFAOYSA-N 319.405 1.563 10 10 DDCE C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc2c(cc1O)CCC2 172407804 CWLXYYZLUHWORR-RYUDHWBXSA-N 309.431 1.888 10 10 DDCE Oc1cccc(CNCCn2cc(Br)cn2)c1O 311216203 RXRKYWFFYHEAJI-UHFFFAOYSA-N 312.167 1.847 10 10 DDCE CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCN1CCOC 182465010 ZHKYKXSSDYUMPC-ZDUSSCGKSA-N 322.405 1.589 10 10 DDCE N[C@@H](c1ccc(F)c(Br)c1O)C(F)(F)CO 95716849 UNAAOJSXXLWAMQ-QMMMGPOBSA-N 300.074 1.921 10 10 DDCE CCOc1ccc(O)c(CN2CCOC[C@@H]2c2ncon2)c1 374827290 MUINHSXRMHUBNR-CYBMUJFWSA-N 305.334 1.747 10 10 DDCE C[C@H](NCCc1nnnn1C)c1cccc(C(F)(F)F)c1O 815590387 UQXALETWMHVEDV-QMMMGPOBSA-N 315.299 1.828 10 10 DDCE COc1cc(Cl)cc(CN(C[C@@H](O)CO)C(C)C)c1O 817417727 OIGIWWAGYXJOQA-GFCCVEGCSA-N 303.786 1.618 10 10 DDCE CN1CCN(c2ccc(CN3CC[C@@H](O)C3(C)C)cc2)CC1 812778982 SDCLQUDXKQDXEW-QGZVFWFLSA-N 303.450 1.784 10 10 DDCE C[C@@H](NC(=O)[C@@]1(C)CCCS1(=O)=O)c1ccc(N(C)C)cc1 907492459 KQZJNZWMSOVRJW-MLGOLLRUSA-N 324.446 1.897 10 10 DDCE CC1CCN(c2ccc(CNC(=O)C3=NNC(=O)C3)cc2)CC1 732289748 CHZIPAUDQHZMSR-UHFFFAOYSA-N 314.389 1.415 10 10 DDCE COCCN(C/C=C/c1ccc(N(C)C)cc1)CC(=O)N(C)C 835025976 PGLIVNLBWLFUJU-VOTSOKGWSA-N 319.449 1.802 10 10 DDCE C/C(=C\C(=O)NCCc1ccc(O)c(O)c1)CN1CCOCC1 901122275 NOMPPABKYAXHHZ-JLHYYAGUSA-N 320.389 1.035 10 10 DDCE CN1CCN(c2ccc(CNCC[C@]3(O)CCOC3)cc2)CC1 846048238 DSAQUPXEFOQDFI-SFHVURJKSA-N 319.449 1.070 10 10 DDCE Oc1cc2c(cc1CN1CCC[C@@]3(CCOC3)C1)[C@@H](O)CO2 840146880 ZAFQNZJVLQJQSP-DOTOQJQBSA-N 305.374 1.821 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@]2(CCSC2)C1 843946399 NFIBFJQRTSEERI-WPTTZPOMSA-N 321.398 1.846 10 10 DDCE COc1cc(Br)cc([C@H]2C[C@@H](O)CCN2)c1O 1952527607 IYQFWDYCXPYMIV-WCBMZHEXSA-N 302.168 1.949 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCCN3)C2)cc1 852843712 FNCATCMMHSMKLY-KBPBESRZSA-N 303.406 1.532 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cnns3)C2)cc1 853817765 MIYVCVFRXXUDCA-SNVBAGLBSA-N 304.375 1.555 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC(=O)N(C2CC2)C1 935946240 CNXGLMLEDCPIAL-NSHDSACASA-N 323.389 1.505 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CN(C)C3CCC3)C2)cc1 863929976 HVKGKHLGXDUZDB-AWEZNQCLSA-N 317.433 1.874 10 10 DDCE Cc1cc(C)c([C@H](C)NC[C@]23COCCN2C(=O)OC3)c(O)c1 866522619 XOEOWLLHUMBVAJ-SUMWQHHRSA-N 320.389 1.881 10 10 DDCE COc1cccc(CNS(=O)(=O)CCOC(C)(C)C)c1O 866841148 VIBBWQUHFDWYTE-UHFFFAOYSA-N 317.407 1.635 10 10 DDCE Cc1cc(CNC(=O)[C@H]2COC(=O)N2)c(C)n1-c1ccccc1 863164510 LJSSHRASYJJXHE-OAHLLOKOSA-N 313.357 1.819 10 10 DDCE Cn1ccnc1CN1CCN(Cc2cc(F)ccc2O)CC1 779014273 NNEFUKCKQNVQQA-UHFFFAOYSA-N 304.369 1.583 10 10 DDCE CC[S@@](=O)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773299881 WAYVZPYULXBZSJ-LAJNKCICSA-N 311.451 1.881 10 10 DDCE COCCN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CCOC1 787334904 NCUPDLRCBDKSSN-SFHVURJKSA-N 320.433 1.761 10 10 DDCE COC(=O)N[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 895850248 FETXOZVKJPCCQG-HNNXBMFYSA-N 319.405 1.454 10 10 DDCE CN(C)C(=O)CC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1153969450 GPBAXYQDCYVGAA-UHFFFAOYSA-N 320.389 1.357 10 10 DDCE CC[C@H]1CN([C@@H](CC)C(=O)NCc2cc(O)ccc2O)CCO1 1176755740 UUKXVFJGYPZNCC-GJZGRUSLSA-N 322.405 1.603 10 10 DDCE CO[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1329395296 FZUVVJHZLLJLGJ-ZDUSSCGKSA-N 318.373 1.262 10 10 DDCE CC(=O)N1C[C@@H]2CN(Cc3cc4c(cc3O)CCC4)C[C@@H]2C1 1333811617 BISULEXMPIKVPP-CALCHBBNSA-N 300.402 1.791 10 10 DDCE COCCN[C@@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1275581097 YBGUXSMCRKUHDF-WDEREUQCSA-N 321.381 1.592 10 10 DDCE CN(CCN=[N+]=[N-])S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 1912147960 NGEOVNCCVDBDEC-UHFFFAOYSA-N 303.275 1.665 10 10 DDCE NC(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 1296113468 MXPAIBSWSJQRFE-OAHLLOKOSA-N 318.304 1.122 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC2(C(N)=O)CCCC2)cc1 1465198242 KODXUOJKNUZLLO-UHFFFAOYSA-N 303.322 1.377 10 10 DDCE Cn1nccc1CCC(=O)NCc1ccc2cccnc2c1O 1557123402 OCAUTGVVEZVHHU-UHFFFAOYSA-N 310.357 1.923 10 10 DDCE C[C@@H]1CC(=O)NCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1629099317 IZVHXWDRSFAAQX-SECBINFHSA-N 303.322 1.200 10 10 DDCE O=C(CNC(=O)Cc1ccccc1)NCc1cc(O)ccc1O 1558173958 ACIWCVHVJQPGSU-UHFFFAOYSA-N 314.341 1.073 10 10 DDCE COC(=O)c1ccc(CNC(=O)c2cccc(O)c2O)s1 1626923620 BFDAKCMLYGIKON-UHFFFAOYSA-N 307.327 1.876 10 10 DDCE C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1O 1635847528 PFIAEKDDWWUVRM-SECBINFHSA-N 310.350 1.627 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ncc(Br)cn1 1638355892 AUKNUYRWTNMACU-UHFFFAOYSA-N 324.134 1.580 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)c1ccccc1F 1566271092 OJBRMVVUMHUPAN-HNNXBMFYSA-N 305.305 1.629 10 10 DDCE NC(=O)c1ccc(CC(=O)NCc2cccc(Cl)c2O)cn1 1648609378 WLYLJHNHOZBGSU-UHFFFAOYSA-N 319.748 1.398 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCN2CCCC[C@H]12 1644107742 MKTJKXGEMOPZJW-UONOGXRCSA-N 304.390 1.773 10 10 DDCE COCCn1ncc(C(=O)NCc2c(O)cccc2O)c1C 1597574921 VSTCHGRDJBIAJQ-UHFFFAOYSA-N 305.334 1.179 10 10 DDCE COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc2c(c1)OCO2 6241594 WXBIQDUBLSNKEE-IZZDOVSWSA-N 301.298 1.718 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)c(Cl)c1 2145071938 IKBQMUTWXAMDAF-CHIMOYNISA-N 314.838 1.983 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980371126 UIYCMEKSKQSADC-LPWJVIDDSA-N 324.421 1.945 10 10 DDCE CCCNCc1ccc(N(C)CC(CO)CO)cc1Cl 2150417664 CPJXJJKCAQILDH-UHFFFAOYSA-N 300.830 1.877 10 10 DDCE NCc1ccc(N2C[C@H](O)[C@H]3COC[C@@H]32)c(Br)c1 2040601517 WNCPWDKRHIACER-XDTLVQLUSA-N 313.195 1.104 10 10 DDCE C[C@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)CC(=O)N1 387112178 HEHVKVYYDSLWMX-DTWKUNHWSA-N 312.211 1.794 10 10 DDCE CCN(CC(N)=O)c1ccc([C@H](C)N)c(Br)c1 723180703 BYOLNZCWKBDPLK-QMMMGPOBSA-N 300.200 1.780 10 10 DDCE Cc1nc(=NCc2cc(N)ccc2O)[nH]cc1Br 396633491 GVUVIDKAVLVCEK-UHFFFAOYSA-N 309.167 1.869 10 10 DDCE CC(C)(C)OC(=O)NCc1n[nH]cc1C(=O)NCCCN=[N+]=[N-] 2211005921 JTPCQVDWEBODCK-UHFFFAOYSA-N 323.357 1.865 10 10 DDCE COc1ccc(Br)c(CN(C)CC(=O)O)c1O 2214867121 MIBYKKGSLRXCME-UHFFFAOYSA-N 304.140 1.680 10 10 DDCE [N-]=[N+]=NCCNC(=O)c1cc(Br)c(O)cc1O 2248033514 SKFHOMQHWSGITK-UHFFFAOYSA-N 301.100 1.900 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H]3C(C(=O)O)[C@@H]3C2)s1 2284544002 LAVJUGDHNDJBAU-HTQZYQBOSA-N 313.404 1.337 10 10 DDCE CSc1ncc(CN2CC(=O)N3CCCC[C@@H]3C2=O)s1 2284664544 GEWVIEIIKGBTOP-SNVBAGLBSA-N 311.432 1.588 10 10 DDCE COc1cc(OC)c(N2CCCO[C@H](CN)C2)cc1Cl 2285849517 ABELTHFHHMXTMW-SNVBAGLBSA-N 300.786 1.911 10 10 DDCE Cc1ccc(CN2CC(CC(N)=O)C2)c(O)c1Br 2327799870 BMEBSCZHIHPJAG-UHFFFAOYSA-N 313.195 1.770 10 10 DDCE Oc1c(F)cccc1Cn1ncnc1I 2070057623 GPBAYMKULXURIX-UHFFFAOYSA-N 319.077 1.776 10 10 DDCE C[C@H](NC=C1C(=O)NC(=S)NC1=O)c1ccc(Cl)cc1 60865225 RYMKLBMBRCYHSU-ZETCQYMHSA-N 309.778 1.405 10 10 DDCE COC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 93528609 IBGXQJUFRGUEAC-QGZVFWFLSA-N 306.406 1.370 10 10 DDCE CO[C@@H]1COCC[C@H]1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 295694761 INXDBMUFGOHYPP-DETPVDSQSA-N 323.389 1.587 10 10 DDCE C[C@@H](OCC(=O)N(C)Cc1ccccc1O)c1nccn1C 806499500 HQTIFNYDYOQNBR-GFCCVEGCSA-N 303.362 1.862 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1cccc(OC(F)(F)F)c1 808530417 USQLELCPPQNNKC-UHFFFAOYSA-N 304.220 1.829 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Nc3nc(C)no3)C2)cc1 822423377 KJVGEMIWBVKQGZ-NSHDSACASA-N 317.349 1.787 10 10 DDCE CCN1CN(Cc2ccc(N3CCC(OC)CC3)cc2)CC1=O 829190619 OCAAUTIJHMRYIL-UHFFFAOYSA-N 317.433 1.923 10 10 DDCE O=C(CCOC1CNC1)NCc1c(O)ccc2c1CCCC2 830597631 RHSCCABLHSWCBV-UHFFFAOYSA-N 304.390 1.266 10 10 DDCE Cc1cc(Cl)cc(CN2CCN(c3nncn3C)CC2)c1O 848924840 CXOJSUALUTULSB-UHFFFAOYSA-N 321.812 1.805 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CSC(=O)N2)cc1 846447037 OMKNJLKQLDOHAF-CYBMUJFWSA-N 323.418 1.415 10 10 DDCE C[C@H](O)[C@@H]1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CCO1 844210452 YDMDNDHJXBSLHK-GBDCTRRUSA-N 322.317 1.279 10 10 DDCE Cc1cc(C)c([C@H](C)NC[C@@H](O)CS(C)(=O)=O)c(O)c1 927026147 PUTUJBTZNNQPDZ-NWDGAFQWSA-N 301.408 1.065 10 10 DDCE COC(=O)NCCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855232069 QIZLZHRJSNTFBY-GFCCVEGCSA-N 321.377 1.136 10 10 DDCE COc1ccc(O)c([C@H](C)N[C@H]2CCN(CC(C)(C)O)C2)c1 866413965 XPESJHYCNYNQRU-STQMWFEESA-N 308.422 1.897 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cn(C)ccc2=O)cc1F 931145808 FWGJFNRWHCSPMV-UHFFFAOYSA-N 303.337 1.520 10 10 DDCE C[C@@H]1CCCN1S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 769870412 RULLWWZIZNXKEU-MRVPVSSYSA-N 300.336 1.231 10 10 DDCE C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](CO)O1 897521927 QWAVPRMAAJKSEL-SCZZXKLOSA-N 323.370 1.534 10 10 DDCE NC(=O)[C@@H]1CC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 896690495 BOFFGNUTJYBCGI-OLZOCXBDSA-N 316.401 1.789 10 10 DDCE Nc1ccc(Cn2nc(Cc3ccccc3)c(O)nc2=O)cc1 82720958 NHNFJAPONCMJJX-UHFFFAOYSA-N 308.341 1.565 10 10 DDCE C[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C1(S(C)(=O)=O)CC1 796490489 OCVMHQISMGYSRU-SECBINFHSA-N 314.363 1.356 10 10 DDCE CCc1nn(C)c(CC)c1CC(=O)NCc1c(O)cccc1O 1304053771 RTIAGHCNCJMFDM-UHFFFAOYSA-N 317.389 1.815 10 10 DDCE C[C@H](Oc1cccc(CO)c1)C(=O)NCc1c(O)cccc1O 1178911249 KYFHMAQEIIMUFO-NSHDSACASA-N 317.341 1.674 10 10 DDCE C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@H]1C 1329437025 KQRJHUWGWXDEEJ-VXGBXAGGSA-N 302.374 1.739 10 10 DDCE O=C(NC1CCC=CCC1)C(=O)N1Cc2cccc(O)c2C1 1333074370 WAASYRXRLBARSZ-UHFFFAOYSA-N 300.358 1.849 10 10 DDCE CCN(CCNCCOC)C(=O)c1ccc(N=NC(N)=O)cc1 1273778269 DUGVVRSHRSTVSK-UHFFFAOYSA-N 321.381 1.547 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CSCC(N)=O 1539468008 IGPOOSFQINXSMJ-UHFFFAOYSA-N 321.446 1.464 10 10 DDCE CCN1CCOC[C@H]1C(=O)NCc1c(O)ccc2ccccc12 1472085569 VWZAIIKHMXDWMG-INIZCTEOSA-N 314.385 1.882 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc(Cc2nc[nH]n2)cc1 1558175517 UCUIVPKPPOZXEX-UHFFFAOYSA-N 324.340 1.737 10 10 DDCE COc1ccc(CNCCN(CCO)C(=O)C(C)(C)C)cc1C 1733629632 BHXPCSPQVPHYGY-UHFFFAOYSA-N 322.449 1.960 10 10 DDCE CCCC(=O)NC[C@H](CC)NC(=O)c1cc(OC)nc(OC)c1 1738100967 TVFXCEWNJSMBFV-LBPRGKRZSA-N 323.393 1.524 10 10 DDCE NC(=O)c1ccc(C(=O)NCc2c(O)cccc2F)nc1Cl 1596911027 CLWDPFKQYAPEGL-UHFFFAOYSA-N 323.711 1.609 10 10 DDCE C[C@@H](NC(=O)N[C@@H](CO)c1ncc[nH]1)c1ccc(N(C)C)cc1 1671851891 MHEFTIXJJLLQMQ-RISCZKNCSA-N 317.393 1.570 10 10 DDCE C[C@H](NC(=O)N[C@@H](C)c1nnnn1C1CC1)c1ccccc1O 1675398043 KLVGOJVUBSNNHD-UWVGGRQHSA-N 316.365 1.835 10 10 DDCE COc1ccc(/C=C2/SC(=S)N(NC(C)=O)C2=O)cc1O 206295534 AROIEIJDLUJYPZ-IZZDOVSWSA-N 324.383 1.653 10 10 DDCE COc1ccc2c(c1O)C(=O)c1cc(O)c(C)c(O)c1C2=O 6069008 MLKLZFRZXUMLOU-UHFFFAOYSA-N 300.266 1.896 10 10 DDCE biogenic,in-vitro CCOc1cccc(CNCC(=O)Nc2nccs2)c1O 1857854112 OYMBATURCJGXGV-UHFFFAOYSA-N 307.375 1.976 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC1CCC2(CC1)OCCO2 2146903705 OIZUONNEOMKNPT-UHFFFAOYSA-N 321.373 1.690 10 10 DDCE COCCNCc1ccc(N2C[C@H](O)[C@@H](F)C2)c(Cl)c1 2149260596 YSNWECSAXVKYBM-JSGCOSHPSA-N 302.777 1.595 10 10 DDCE CCN(CC)C(=O)CSc1ncc(CNCCOC)s1 2155333563 AFIBBKRXCICTOG-UHFFFAOYSA-N 317.480 1.840 10 10 DDCE COCCOCCOCCNCc1ccc(Cl)cc1O 2187127541 FCMFCIPBEXUYTJ-UHFFFAOYSA-N 303.786 1.815 10 10 DDCE C[C@@]1(O)CCN(c2ccc(CN)c(Br)c2)C[C@H]1O 2077301626 PEUPFYWDQQPWBY-CHWSQXEVSA-N 315.211 1.230 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@@H]2CCCN2)s1 2256937523 JYDPILUJKMQRIH-QMMMGPOBSA-N 307.466 1.036 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CC[C@](F)(CN)C2)s1 2269090360 LZVBTVNLXIKKDF-QPUJVOFHSA-N 303.428 1.948 10 10 DDCE C[C@H]1CC[C@H](S(C)(=O)=O)CN1Cc1c(O)cccc1F 2279350167 DNMVUUNTFZFFMH-QWRGUYRKSA-N 301.383 1.929 10 10 DDCE CC(F)(F)CCS(=O)(=O)CC(=O)Nc1ccc(N)cc1 2283695630 DEWIGAGWSWKPNV-UHFFFAOYSA-N 306.334 1.667 10 10 DDCE NC(=O)c1ccc(NS(=O)(=O)Cc2ccc(N)cc2)cc1 21814483 MBTIODHBLXKJMI-UHFFFAOYSA-N 305.359 1.310 10 10 DDCE CCOC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 22417324 KCUMGKHKVHGCEN-INIZCTEOSA-N 321.421 1.872 10 10 DDCE NC(=S)c1ccc(CNC(=O)c2cccc(O)c2O)cc1 126153084 HVAJHFRYHWPKMQ-UHFFFAOYSA-N 302.355 1.662 10 10 DDCE Cc1c(NCc2ccc(O)c(O)c2)cccc1S(N)(=O)=O 37787799 HAZOTIOFSXJIEP-UHFFFAOYSA-N 308.359 1.666 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc([C@H]2C[C@@H]2C(=O)O)cs1 2365283585 UCPIMISPSQQXRB-YUMQZZPRSA-N 319.408 1.330 10 10 DDCE CCOC(=O)c1cnn2c(O)cc(CN3CCCC3(C)C)nc12 77383044 LFZCPOXCKXTFDM-UHFFFAOYSA-N 318.377 1.986 10 10 DDCE CCN(CC)c1ccc(CNC(=O)N2CC(CO)C2)cc1F 188772259 JWBHLJJWYPLBQG-UHFFFAOYSA-N 309.385 1.806 10 10 DDCE C[C@@H](NCc1cccc(Br)c1O)C(=O)N(C)C 42411944 AKNMLJYODNADHZ-MRVPVSSYSA-N 301.184 1.721 10 10 DDCE COc1ccc(N2CCN(C(=O)c3coc(N)n3)CC2)cc1 82320364 RUMNMFFHAWSOFY-UHFFFAOYSA-N 302.334 1.228 10 10 DDCE COC[C@H](O)CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O 92255938 BYWBMJLZXBNHCR-SNVBAGLBSA-N 304.730 1.393 10 10 DDCE Cc1cccc(CN2CC(S(=O)(=O)NC3CCCC3)C2)c1O 367819280 BMQGGRKQZMSUBN-UHFFFAOYSA-N 324.446 1.747 10 10 DDCE CN(c1ccc(N)cc1)S(=O)(=O)c1scnc1C(=O)O 2162597943 HMJMSERCXBGHOI-UHFFFAOYSA-N 313.360 1.249 10 10 DDCE CN1CCC(CCNC(=O)/C=C\c2ccc(O)c(O)c2)CC1 588406224 ODIYBKLNYKOVGG-HYXAFXHYSA-N 304.390 1.959 10 10 DDCE CC1(CO)CN(C(=O)NCCCSc2nccs2)C1 838515621 YEIGOMKZTPUJSB-UHFFFAOYSA-N 301.437 1.649 10 10 DDCE COc1ccc(N2CCN(C(=O)NC/C=C/CN)CC2)cc1F 841994190 CNVJGLNBOWDYSO-NSCUHMNNSA-N 322.384 1.181 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3n[nH]cc3F)C2)cc1 912291848 DRFMQADPKIGMOU-JTQLQIEISA-N 304.325 1.566 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCNC[C@H]2C)c1 841988519 LDYNTCCDLTZAGG-SUNKGSAMSA-N 307.394 1.759 10 10 DDCE C[C@H](N[C@H]1CNOC1)c1ccc(N2CCOCC2)cc1Cl 925871144 ODOCXUJAMUWAIW-RYUDHWBXSA-N 311.813 1.731 10 10 DDCE Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)c(O)c1O 922800085 ZNEPVLIVFCQFTD-LLVKDONJSA-N 304.346 1.147 10 10 DDCE Cc1cc(O)c(CN2CC(OCC(=O)N(C)C)C2)c(Cl)c1 840952896 ISNWUPQITWNXEM-UHFFFAOYSA-N 312.797 1.643 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCC(CO)(CO)C2)c1O 852630611 WMHBMPLXGAJLJX-UHFFFAOYSA-N 313.781 1.425 10 10 DDCE CCOC(=O)[C@H]1C[C@@]1(N)c1cc(Br)ccc1O 1952775666 QJMJEVLBPDUSRA-BXKDBHETSA-N 300.152 1.892 10 10 DDCE OC1CCN(c2ccc(CN[C@H]3CN4CCC[C@H]3C4)cc2)CC1 926725052 NVEVJJVTHBERJF-LPHOPBHVSA-N 315.461 1.832 10 10 DDCE CCn1ccnc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855222975 AEIMRHWHYZBUFI-CYBMUJFWSA-N 314.389 1.920 10 10 DDCE COCc1n[nH]c(CNCc2c(O)ccc(Cl)c2F)n1 850359966 ACPDRGRSNYXZDN-UHFFFAOYSA-N 300.721 1.739 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C[C@H]3COC(=O)C3)C2)cc1 855233621 JJSGPBGBLUUCDQ-OLZOCXBDSA-N 318.373 1.343 10 10 DDCE C[C@@H](NC(=O)[C@H]1CCC(=O)O1)c1ccc(N2CCOCC2)cc1 865017808 ATBAKVXGBJMNSC-IUODEOHRSA-N 318.373 1.406 10 10 DDCE Cc1c(/C=C2\SC(N3CCOCC3)=NC2=O)ccnc1F 863181561 NJDQAQBQARMJNU-FLIBITNWSA-N 307.350 1.832 10 10 DDCE CCN1CCN(Cc2ccc(N3CCCNCC3)cc2)CC1 84857340 ZBMXHJNEJSRCIQ-UHFFFAOYSA-N 302.466 1.624 10 10 DDCE CCNCc1ccc(N2CCS(=O)(=O)[C@@H](C)C2)c(F)c1 707150333 DOBPVRMCPRNQPT-NSHDSACASA-N 300.399 1.559 10 10 DDCE CC[C@@](C)(NCc1ccc(Br)cc1O)C(N)=O 691427608 ORLOHEYGETYAMF-GFCCVEGCSA-N 301.184 1.898 10 10 DDCE CNC(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)cn1 1452940690 DJHSNSBJPLKISV-UHFFFAOYSA-N 319.748 1.730 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)C[C@H]1c1ccccc1 1299243812 YAUDOINASVAYHY-CABCVRRESA-N 313.353 1.975 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCc2nncn2CC1 1545669302 UGBRGHFOEYZFBR-GFCCVEGCSA-N 316.361 1.001 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cncc(-n3ccnn3)c2)c1 1470255476 WHBTYNWPKRZWEK-UHFFFAOYSA-N 309.329 1.606 10 10 DDCE COc1ccc(CNC[C@H](C)CNC(=O)[C@H](C)OC)cc1C 1714377428 LRQCCIIHFSOSSY-JSGCOSHPSA-N 308.422 1.880 10 10 DDCE NC(=O)c1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)cs1 1557744004 LOCDBPWUUVDKRC-DUXPYHPUSA-N 304.327 1.910 10 10 DDCE CS(=O)(=O)c1cc(C(=O)NCc2ccc(O)cc2O)co1 1557084818 PLEMKKKLYYUKCM-UHFFFAOYSA-N 311.315 1.024 10 10 DDCE O=C(/C=C\COC1CCOCC1)NCc1c(O)cccc1O 1639292599 JMHTWVYHZCSNDA-DJWKRKHSSA-N 307.346 1.466 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](n2ccnn2)C1 1570505793 UARICWBIBYOLNC-GFCCVEGCSA-N 302.334 1.096 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NCc1ccccc1O 1930121582 UMCPMQJLTNTRMG-CHWSQXEVSA-N 308.378 1.774 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2nc(C)c[nH]2)cc1C 1690629508 AIYBNKVRLJSLDA-LBPRGKRZSA-N 316.405 1.943 10 10 DDCE N[C@H](Cc1ccc(O)c(O)c1)c1nc(-c2cscn2)no1 150220373 WQXDWNXRJHQPGP-MRVPVSSYSA-N 304.331 1.847 10 10 DDCE CNCc1ccc(N2CCOC[C@@H]2CO)cc1C(F)(F)F 168323812 CIVWJRRXCIBGAQ-LBPRGKRZSA-N 304.312 1.622 10 10 DDCE NC[C@H]1COCCN1Cc1cc(Br)ccc1O 1947616432 JJGWJLLYAXNTDW-NSHDSACASA-N 301.184 1.314 10 10 DDCE OCc1ccc(N2CCOCCOCC2)cc1Br 2041518066 BJOOYPTXJAYMRF-UHFFFAOYSA-N 316.195 1.795 10 10 DDCE CS[C@H]1CC[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 702015601 JTPOTBXXINKISR-OLZOCXBDSA-N 316.448 1.461 10 10 DDCE CC1(C)COCN1S(=O)(=O)CCOc1ccc(N)cc1 384744827 ICNFYKHSKOWKFE-UHFFFAOYSA-N 300.380 1.046 10 10 DDCE CN(C)C[C@@H](O)CNCc1c(O)cccc1Br 717287858 MEMJMVOOQVUVBM-VIFPVBQESA-N 303.200 1.167 10 10 DDCE CN1C[C@@H](CNCc2cc(Br)ccc2O)CC1=O 723600562 UDMSWMOOFZDEPK-SECBINFHSA-N 313.195 1.723 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)[C@H]1CCCN(c2cnccn2)C1 2065112576 OMBVURLYBIFZMO-NSHDSACASA-N 314.345 1.743 10 10 DDCE CCNC(=O)c1cn([C@@H](C)c2c(O)cccc2OC)nc1O 2070630751 DASQEMJAPZMCLR-VIFPVBQESA-N 305.334 1.662 10 10 DDCE COc1ccc(CN[C@@H](C)CS(=O)(=O)C(C)C)c(O)c1 2170585665 NPKICHPNZVIDOE-NSHDSACASA-N 301.408 1.702 10 10 DDCE C[C@H](O)c1cc(F)c(N2CC[C@@H](S(C)(=O)=O)C2)c(F)c1 2194512054 LLLUJYSSMYXXHY-WCBMZHEXSA-N 305.346 1.641 10 10 DDCE NC[C@@H]1C[C@@H](Nc2c(N)cccc2Br)CCO1 1909604160 CVJSCEXHTHHREP-IUCAKERBSA-N 300.200 1.950 10 10 DDCE CO[C@@H]1COC[C@H]1N(C)c1ccc(CN)cc1Br 2057140797 DZDXGNOMDALCJL-CHWSQXEVSA-N 315.211 1.758 10 10 DDCE CO[C@@H](C(=O)NCc1cnc(SC)s1)C1CCNCC1 2284504964 QRQLGOMAMFCSOX-LLVKDONJSA-N 315.464 1.496 10 10 DDCE CCNC(=O)NC(=O)[C@@H](C)NCc1cnc(SC)s1 2269092117 DOGVQBWBNSYUFO-SSDOTTSWSA-N 302.425 1.189 10 10 DDCE Oc1ccc(Br)cc1CN[C@H]1CO[C@@H]2COC[C@@H]21 2308850069 WQKXTAYDTLDGLO-NTZNESFSSA-N 314.179 1.658 10 10 DDCE COC[C@@H](O)CN(C)Cc1ccc(C)c(Br)c1O 2327608736 WTZLIBAYDDFVLB-NSHDSACASA-N 318.211 1.902 10 10 DDCE CC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1CCOC 117323978 RENZMXKCGBCSPH-AWEZNQCLSA-N 322.405 1.664 10 10 DDCE Nc1ccc(NC(=O)Cn2cncc(Br)c2=O)cc1 90764413 OAJFEXIWFCTSGD-UHFFFAOYSA-N 323.150 1.227 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1O 246978020 JMAIBVSSYIMEQC-NEPJUHHUSA-N 324.396 1.621 10 10 DDCE COCCCN(C)CC(=O)NCc1ccc(N2CCCC2)cc1 247885571 ROAOIVBBMBJXTB-UHFFFAOYSA-N 319.449 1.871 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccn(-c2cccc(Cl)c2)n1 808507847 XQPVDVJOXSLPJP-UHFFFAOYSA-N 306.705 1.841 10 10 DDCE CNC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 817777769 LNPPEGRLHCZWGK-CQSZACIVSA-N 318.421 1.339 10 10 DDCE C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)/C=C\c1ccc(O)c(O)c1 588406960 ADZYILPFXWIJNB-QZWGFMDZSA-N 304.390 1.910 10 10 DDCE c1ncc(-c2cn(Cc3ccc(N4CCOCC4)cc3)nn2)cn1 900600938 MIDMKSJEVJBGTN-UHFFFAOYSA-N 322.372 1.620 10 10 DDCE COc1ccc(O)c(CNC(=O)c2ccc(N3CCC3)nc2)c1 827316834 IPHOVKXBEOZQHK-UHFFFAOYSA-N 313.357 1.936 10 10 DDCE CN(C)c1ccc(CNS(=O)(=O)N(C)C2CC2)cc1F 736331220 BESHSXXLMKOKEZ-UHFFFAOYSA-N 301.387 1.320 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1c(O)ncnc1O 900026512 MAMPIJCRJNZDQQ-UHFFFAOYSA-N 316.361 1.155 10 10 DDCE C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCN1CCO 835044959 DYNFPGKJGIZSLF-DWTRPJMMSA-N 303.450 1.764 10 10 DDCE Cn1nc(O)c2c1CN(C(=O)/C=C\c1ccc(O)c(O)c1)CC2 913031628 PCEWDWXULVKPMC-HYXAFXHYSA-N 315.329 1.135 10 10 DDCE CO[C@@](C)(CO)CNC(=O)NCc1ccc(N(C)C)c(F)c1 847301765 BZJGWSFGULEHJK-OAHLLOKOSA-N 313.373 1.088 10 10 DDCE N[C@H](COCc1ccccc1)CC(=O)C(=O)C[C@H]1C[C@H](N)C1 1893863543 FEBKVEFKBJKXLI-KKUMJFAQSA-N 304.390 1.186 10 10 DDCE O=S(=O)(C[C@H]1CCC1(F)F)NCc1c(O)cccc1F 921450696 DBHZUDYWOKOLSF-MRVPVSSYSA-N 309.309 1.996 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@H]1CCn2ccnc2C1 922075863 DYSCUEPNZCLJAQ-JTQLQIEISA-N 304.325 1.542 10 10 DDCE CCOCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851921767 AJVQANHTZNWRNB-AWEZNQCLSA-N 321.421 2.000 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)O[C@H]1CNOC1 922912075 CZXIFNOZUVHNCS-DOMZBBRYSA-N 307.394 1.622 10 10 DDCE CNC[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851682770 WCBJAZJYGUQPPQ-OLZOCXBDSA-N 306.410 1.181 10 10 DDCE C[C@H](O)[C@@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 865740615 JHMNLXINDYRRKG-LRDDRELGSA-N 323.393 1.416 10 10 DDCE CC(=O)N1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 899040729 FLIGSQVNSBSILG-SNVBAGLBSA-N 320.370 1.663 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cn1nccc1N 1142419898 XQKFYOIMOUXDLB-ZDUSSCGKSA-N 315.421 1.587 10 10 DDCE C[C@](NCCN=[N+]=[N-])(C(N)=O)c1cncc(Br)c1 695176537 JSRBPKZASZXOOF-SNVBAGLBSA-N 313.159 1.445 10 10 DDCE O=C1C[C@@H](C(=O)NCc2cc(O)ccc2O)c2ccccc2N1 1303223403 NYOBAMNHXLPBCW-CYBMUJFWSA-N 312.325 1.840 10 10 DDCE COC(=O)CCCS(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1912172298 SMUWXBQMCVOFBB-SNVBAGLBSA-N 304.372 1.292 10 10 DDCE COC(=O)c1ccnc(NCc2c(O)cccc2O)c1[N+](=O)[O-] 1472887215 QLYVAUXMPAQNMK-UHFFFAOYSA-N 319.273 1.800 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@]1(O)CCc2ccccc21 1623635009 HYRVPRQLNWVJPB-GOSISDBHSA-N 313.353 1.591 10 10 DDCE COC(=O)c1cc(NC(=O)c2cccc(O)c2O)cnc1C 1558879468 GHXPUEVBSUJKNT-UHFFFAOYSA-N 302.286 1.840 10 10 DDCE COCCN/C(C)=C1/C(=O)N(c2ccc(OC)cc2)N=C1C 13532687 IATGYARQFUJRQM-RVDMUPIBSA-N 303.362 1.928 10 10 DDCE CCN1CCN(C(=O)CCNCc2cc(C)ccc2O)CC1 1857864293 HOCXNWDPDBLJPB-UHFFFAOYSA-N 305.422 1.344 10 10 DDCE CCOC(=O)[C@H]1CCCCN1C(=O)c1cc(O)c(O)c(O)c1 1148584112 OJOJNRILEJJRSM-SNVBAGLBSA-N 309.318 1.361 10 10 DDCE CC(C)(C)OC(=O)N1CCN(CCCN=[N+]=[N-])C[C@@H]1CCO 1962304382 MSZMYCGJTAHXEK-LBPRGKRZSA-N 313.402 1.991 10 10 DDCE CN(CC(=O)Nc1ccc(N)cc1)C1CCC2(CC1)OCCO2 2145843553 LTZQUYGWMMTJLT-UHFFFAOYSA-N 319.405 1.825 10 10 DDCE CC(C)(C)OC(=O)NCc1nc(=NCc2ccccc2O)[nH][nH]1 1986082854 QMIMDKOKJDWXMB-UHFFFAOYSA-N 319.365 1.569 10 10 DDCE NC(=O)[C@H]1OCC[C@@H]1Nc1c(N)cccc1Br 2005840544 NLALXGHWWXJAFJ-WPRPVWTQSA-N 300.156 1.086 10 10 DDCE CN[C@@H](C)c1ccc(N2CCS(=O)(=O)C[C@H]2C)c(F)c1 299947486 UQYJLQBMNHHKFX-MNOVXSKESA-N 300.399 1.729 10 10 DDCE N[C@@H]1CN(Cc2ccc(Br)cc2O)[C@H]2COC[C@H]12 2040554399 MIRUFBRCPYDBDC-UTUOFQBUSA-N 313.195 1.313 10 10 DDCE CNCc1cc(F)c(N(C)CCCS(C)(=O)=O)c(F)c1 710673988 ITHISFOYUVBBHZ-UHFFFAOYSA-N 306.378 1.555 10 10 DDCE Nc1ccc(CS(=O)(=O)NCCCOC(F)(F)F)cc1 398242586 YGHJUNLKTRZJMI-UHFFFAOYSA-N 312.313 1.615 10 10 DDCE O=C1C[C@H](C(=O)Nc2ccc(O)c(O)c2)[C@H]2CCCC[C@@H]2N1 2064264187 AZNHVFLNSVTYGM-WOPDTQHZSA-N 304.346 1.731 10 10 DDCE NCc1cc(F)c(N2C[C@@]3(CO)C[C@]3(CO)C2)cc1Cl 2177381236 KXJJXCDWWFPZAR-ZIAGYGMSSA-N 300.761 1.119 10 10 DDCE N[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)[C@H]2COC[C@@H]12 2102140928 LCFDMMKPAQGGOW-WCQGTBRESA-N 303.189 1.857 10 10 DDCE COc1ccc(Br)c(CNN2CCOCC2)c1O 2220452586 WSKGAGWRJXRWKP-UHFFFAOYSA-N 317.183 1.500 10 10 DDCE COc1ccc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(CN)c1 2235956016 ADGACFQJOWORRA-WDEREUQCSA-N 300.424 1.412 10 10 DDCE COCCOCCOCC[S@@](=O)Cc1ccc(N)cc1 2240467104 RKMXZUQIGCGYHE-HXUWFJFHSA-N 301.408 1.197 10 10 DDCE CO[C@H]1CNC[C@@H](C(=O)NCc2cnc(SC)s2)C1 2269199807 MPPMXOGPOQUNTA-DTWKUNHWSA-N 301.437 1.106 10 10 DDCE CN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1 106543246 MCLZTHSZTXRSNX-MRXNPFEDSA-N 319.405 1.454 10 10 DDCE CCNCc1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1Cl 2361523820 FUSONDPLDVXBNX-BXUZGUMPSA-N 314.838 1.683 10 10 DDCE COc1ccc(O)c(CN2C[C@H](C)[C@@H](N3CCOCC3)C2)c1 180655263 UIFNEZBQMXQEMY-BBRMVZONSA-N 306.406 1.553 10 10 DDCE [N-]=[N+]=NCCCNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 42013284 YNCQFICXBOSHMW-UHFFFAOYSA-N 303.275 1.713 10 10 DDCE COc1ccc(N2CCN(C(=O)C3CC(=O)C3)CC2)cc1F 183563093 AOJNWTDBWYQYFH-UHFFFAOYSA-N 306.337 1.462 10 10 DDCE CN1C2(CCC2)COC[C@@]1(CO)CNCc1ccccc1O 527756230 YEGYKYCWUPOYDV-KRWDZBQOSA-N 306.406 1.098 10 10 DDCE Oc1cc2c(cc1CN1CCOC[C@H]1CC(F)F)OCO2 285145962 OICFJEOBAAZXGW-SNVBAGLBSA-N 301.289 1.977 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@H]3[C@H]64)cc1 800390887 VCVTXNVLABDQRB-YQKTVJBBSA-N 322.408 1.696 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 808495734 PPVQNBQUQYRDKB-JTQLQIEISA-N 323.732 1.394 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 808519723 DGGMDHSAIIDWGJ-QWRGUYRKSA-N 313.350 1.381 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@H]2CCCC23OCCO3)cc1 806317644 LPLFQTCDRUYMKJ-OAHLLOKOSA-N 304.390 1.912 10 10 DDCE NCc1ccc(N2CC(NS(=O)(=O)C3CC3)C2)cc1Cl 2165627054 REUBPVXXDAZPGA-UHFFFAOYSA-N 315.826 1.069 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](O)C1CCC1 819700261 VOSZIBFHOISCJY-MRXNPFEDSA-N 321.373 1.445 10 10 DDCE COc1cccc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1O 825200338 DCZPDXBRGUZAQQ-GXTWGEPZSA-N 311.403 1.552 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Nc3ccnn3C)C2)cc1 822553893 OLIVRMUSVKXISA-GFCCVEGCSA-N 315.377 1.829 10 10 DDCE CCN(CCc1ccncc1)C(=O)c1cc(O)c(O)c(O)c1 586735490 PBTGYNPZCYIQLV-UHFFFAOYSA-N 302.330 1.903 10 10 DDCE COc1ccc(N2CCC(NC(=O)c3nccn3C)CC2)cc1 741261397 MMDAWQLYWTXUKA-UHFFFAOYSA-N 314.389 1.828 10 10 DDCE Oc1cc2c(cc1CN1CCC(Cn3cnnc3)CC1)OCO2 844731104 FGCMBAWZMANERR-UHFFFAOYSA-N 316.361 1.625 10 10 DDCE CO[C@H](CNC(=O)NCc1cc(C)ccc1O)[C@@H]1CCOC1 858599317 KIPPHEDCEOFQTF-IUODEOHRSA-N 308.378 1.551 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CCOC[C@H]2CC2CC2)cc1 927933760 PHQPZESNRDTPFP-CQSZACIVSA-N 303.362 1.235 10 10 DDCE C[C@H](NC(=O)NCCOCCCN)c1ccc(N(C)C)cc1 861620436 FDVWLAVZWZSSRD-ZDUSSCGKSA-N 308.426 1.478 10 10 DDCE O=C(NCc1ccccc1O)c1ccn(C2CCOCC2)n1 860233911 PLQXIIQGSHMGSI-UHFFFAOYSA-N 301.346 1.870 10 10 DDCE O=S1(=O)CCC(CCNCc2cc(F)ccc2O)CC1 779100796 SJHBXTCRVJFVSV-UHFFFAOYSA-N 301.383 1.836 10 10 DDCE COCCN(Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCOC1 786187682 ANIFAEPQTFXAKW-CQSZACIVSA-N 311.353 1.971 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)CN1CCOCC1 783650254 OYBAGEKONGESSA-OAHLLOKOSA-N 319.449 1.646 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]12 1327652899 QBYZAHWLTHEQBU-VNHYZAJKSA-N 316.401 1.903 10 10 DDCE COc1ccc(CNCC[C@@H](C)NC(=O)c2cnn[nH]2)cc1C 1268378860 BAMRUMCJISMNKB-GFCCVEGCSA-N 317.393 1.420 10 10 DDCE C[C@@H](O)c1ccc(N2CC(C)(C(N)=O)C2)cc1Br 1914220949 NDKYPKSDVNXMJS-MRVPVSSYSA-N 313.195 1.814 10 10 DDCE CCS(=O)(=O)N(C)CCN[C@@H](C)c1ccc(F)cc1O 1926358638 WTDKZUVTBUYQSA-JTQLQIEISA-N 304.387 1.463 10 10 DDCE CC(C)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(N)=O 1641859026 JEYKRTKGQMDWMZ-GFCCVEGCSA-N 308.359 1.552 10 10 DDCE COc1cc(O)c(CN(C)CC(=O)NC(C)(C)C)cc1OC 159511145 PICYMXBJQNNBHB-UHFFFAOYSA-N 310.394 1.756 10 10 DDCE CN(C)c1ccc([C@@H](CNC(=O)CN)N2CCCCC2)cc1 1865876409 JNILFCJCUYPJKY-MRXNPFEDSA-N 304.438 1.355 10 10 DDCE COC(=O)NCCCNCc1cc(Cl)cc(OC)c1O 1875638942 NLRKZZQXCITUEE-UHFFFAOYSA-N 302.758 1.890 10 10 DDCE CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1885557349 NXGUWDAYMMNUCF-BDAKNGLRSA-N 301.347 1.341 10 10 DDCE C[C@@H](CNC(=O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C 1977676994 WEZRJLOVVRCYKY-NSHDSACASA-N 323.393 1.677 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NCc1ccc(O)c(O)c1O 1984415094 LLVYLNKIYZODOQ-WDEREUQCSA-N 324.377 1.806 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](O)CN[C@@H]1CCc2cccc(O)c21 1985778354 ZVNPDJTUHYHFEF-CHWSQXEVSA-N 322.405 1.855 10 10 DDCE CCC[C@H](NCc1cc(Br)ccc1O)C(N)=O 2013568810 GJFDDENGXNAZFR-JTQLQIEISA-N 301.184 1.898 10 10 DDCE CC(C)(C)NCc1cnc(Sc2nc(N)cc(=N)[nH]2)s1 2155332545 MWKGDMIXTSEOQK-UHFFFAOYSA-N 310.452 1.967 10 10 DDCE COC1(OC)CN(c2ccc(CN)c(Br)c2)C1 2018951494 GXCOXWJZOWTZNT-UHFFFAOYSA-N 301.184 1.717 10 10 DDCE NCc1ccc(N2CC(N3CC(F)C3)C2)c(Br)c1 2041159680 OIXJFKAJOMSNNB-UHFFFAOYSA-N 314.202 1.750 10 10 DDCE Cc1c(C=CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1C 2053639797 VSWNEMCFLMQABP-LLVKDONJSA-N 315.373 1.900 10 10 DDCE CCS[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 382907121 VRDHIKOKSGEUPU-CYBMUJFWSA-N 300.449 1.926 10 10 DDCE C[C@H](NS(=O)(=O)CCOc1ccc(N)cc1)C(F)(F)F 389304162 KLXLPUOJYBWIAO-QMMMGPOBSA-N 312.313 1.518 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCc3ccc(C)c(C)n3)c2n1 2062066798 MIBVTJUZVXBKOU-UHFFFAOYSA-N 311.345 1.685 10 10 DDCE NCc1cc(F)c(N2CC[C@H]3OCCO[C@@H]3C2)cc1Cl 2177389498 USCBLGWGBHYULW-ZIAGYGMSSA-N 300.761 1.932 10 10 DDCE CS(=O)(=O)[C@@H]1CSCCN1c1ccc2c(c1)CC[C@H]2O 2184733737 KTJGOKITJUASFT-ZIAGYGMSSA-N 313.444 1.590 10 10 DDCE NCc1ccc(N2C[C@@H]3C[C@H](C2)C3O)c(F)c1Br 2052754531 DGOQGCZZCFQSQO-PHXKMMTBSA-N 315.186 1.864 10 10 DDCE Oc1ccc(Br)cc1CN1C[C@H](O)CC12CNC2 2066536960 FEAYISDPOHNLGB-LLVKDONJSA-N 313.195 1.063 10 10 DDCE CCS(=O)(=O)CCN(C)c1ccc(OC)cc1C(=O)O 2235946139 OPKFVIHBBHYUOY-UHFFFAOYSA-N 301.364 1.264 10 10 DDCE Cc1ccc(CNC(=O)C[C@@H](C)N)c(O)c1Br 2307467044 UELGOYFLBZGVBD-MRVPVSSYSA-N 301.184 1.817 10 10 DDCE COCCN/C=C1\C(=O)N(Cc2ccccc2)C(=O)N=C1O 103117057 LKUGEDDKXGGPFA-XFXZXTDPSA-N 303.318 1.225 10 10 DDCE COC(=O)C1CCN(C(=O)[C@H](C)Cc2ccc(O)c(O)c2)CC1 170046960 KJTWUYMYWRSEIV-LLVKDONJSA-N 321.373 1.688 10 10 DDCE O=C1NCC[C@]1(C(=O)NCc1cccc(O)c1O)C1CCCC1 1349077982 GVRVPIIMCMUOMO-KRWDZBQOSA-N 318.373 1.411 10 10 DDCE CN(C)c1ccc(CNC(=O)c2ccc3nnn(C)c3c2)cc1 182354256 AGWCTTUYLMHXPN-UHFFFAOYSA-N 309.373 1.964 10 10 DDCE C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc2c(c1)CCCN2C 135553774 ZHMMZIQWUCNHIH-LRDDRELGSA-N 324.446 1.666 10 10 DDCE Cn1nccc1C1CCN(C(=O)c2cccc(O)c2O)CC1 193080581 FVBROQZWKXLLKI-UHFFFAOYSA-N 301.346 1.851 10 10 DDCE CCOCCN1CCN(Cc2cc(OC)ccc2O)C[C@H]1C 245637794 CNEGCDFRNVTGPQ-CQSZACIVSA-N 308.422 1.943 10 10 DDCE CCOc1ccc(O)c(CN2CCN([C@@H]3CCC[C@H]3O)CC2)c1 371324828 AUUUQRGHMPFLNB-SJLPKXTDSA-N 320.433 1.822 10 10 DDCE COCCN(CCF)Cc1ccc(N2CCN(C)CC2)cc1 827053778 GHUFQSCJRQZHHB-UHFFFAOYSA-N 309.429 1.856 10 10 DDCE Cn1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1=O 729286562 COBLKRNSVGFHLR-UHFFFAOYSA-N 311.385 1.916 10 10 DDCE COC(=O)CC[C@@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 827005204 SNGLDPDWSTZOKR-OAHLLOKOSA-N 319.405 1.184 10 10 DDCE COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](O)C1CC1 838896718 YLSJEMOXWAABJZ-AWEZNQCLSA-N 313.781 1.792 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2C[C@H](N)C(C)(C)C2)cc1 903556070 MFLHURUPYKVVKP-HNNXBMFYSA-N 304.438 1.038 10 10 DDCE CON1CCC(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CC1 831925436 XJRUSLIYGLBUFO-GFCCVEGCSA-N 322.405 1.809 10 10 DDCE CCN(CC)CC[C@H](CO)NC(=O)c1ccc(C)c(O)c1O 848024830 JOZPJUUHZZYFTR-GFCCVEGCSA-N 310.394 1.229 10 10 DDCE CCCNC(=O)NC(=O)CN1CCCc2cc(CN)ccc21 843349620 GHGJHWKJLVOVKQ-UHFFFAOYSA-N 304.394 1.134 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N(CCO)Cc1ccccc1 675067866 OKJPZQFHSHRAOP-UHFFFAOYSA-N 301.342 1.661 10 10 DDCE CC(C)(C)NC(=O)CCNC(=O)NCc1c(O)cccc1F 916554266 HVJDCWMISQVKNB-UHFFFAOYSA-N 311.357 1.635 10 10 DDCE CCn1cnc(S(=O)(=O)NCc2cc(Cl)ccc2O)c1 845995754 GBFYXAUFLGEWEC-UHFFFAOYSA-N 315.782 1.741 10 10 DDCE C[C@H](N)[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 841852081 CLOTXMPTVZEHNS-UWVGGRQHSA-N 304.419 1.782 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2C[C@@H]3COC[C@]3(C)C2)cc1 852534116 GZNTWCURHKRTPO-QAPCUYQASA-N 317.433 1.337 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[C@H](C)NC2)c1 861685052 CCAMCPNPGQRYLS-SDDRHHMPSA-N 307.394 1.902 10 10 DDCE COc1ccc(COCC(=O)NCc2ccccc2O)cn1 860233812 OZKXUXRGARPSID-UHFFFAOYSA-N 302.330 1.629 10 10 DDCE C[C@@H](NC[C@@]12COCCN1C(=O)OC2)c1ccc(N(C)C)cc1 866519956 YSNGDXZBYQRGSM-DYVFJYSZSA-N 319.405 1.624 10 10 DDCE CCn1nccc1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 775288074 JBONGOFJVILNHX-UHFFFAOYSA-N 312.307 1.318 10 10 DDCE Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)cc1 776434435 FLUDHXMKQGXJOU-UHFFFAOYSA-N 308.315 1.473 10 10 DDCE C[C@@]1(C(=O)OCC(=O)c2ccc(O)c(O)c2)C[C@H]2CC[C@H]1O2 784927501 PCNRURJXGCHZHG-QSGSBWRWSA-N 306.314 1.781 10 10 DDCE COC(=O)c1c(CN2CC(=O)N(C)C2)c2cc(F)ccc2n1C 894433391 LBXPGFHEAJJGRY-UHFFFAOYSA-N 319.336 1.336 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)C2CN([C@H]3CCOC3)C2)c1 896162091 AERLQLNCXZZWFG-AAEUAGOBSA-N 320.389 1.299 10 10 DDCE C[C@@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)c1ccccc1O 1151892064 HHFWVGAWWQZSKR-GYSYKLTISA-N 306.362 1.383 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccccc1-n1ccnn1 1162277637 AGHRKQNGQQWJKW-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@]12CCCC[C@@H]1NC(=O)C2 1334066686 PCEIPQDKAUGUDV-XNNRTHFOSA-N 316.357 1.429 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@@H](Cn2cncn2)C(=O)O)cc1 1350666181 FIYDRRVVHIQZQL-BWPKMQGJSA-N 315.377 1.100 10 10 DDCE CCO[C@H]1COCC[C@H]1CC(=O)NCc1cccc(O)c1O 1520508969 QEKPMVLNFGETFZ-FZMZJTMJSA-N 309.362 1.546 10 10 DDCE Cc1nc([C@H]2CCN(C(=O)Cc3ccc(O)c(O)c3)C2)n[nH]1 1469076522 FFNHVNSJRIDKBA-NSHDSACASA-N 302.334 1.083 10 10 DDCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nc2nn[nH]n2)cc1 1544466407 VSMFULYZTSNISI-UHFFFAOYSA-N 324.344 1.601 10 10 DDCE C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C(N)=O)C1 1556289075 NQSCICKUWTXRAY-BXKDBHETSA-N 317.349 1.575 10 10 DDCE NC(=O)NCc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 1633595064 GPQAUYPKKSHUSB-UHFFFAOYSA-N 315.329 1.196 10 10 DDCE C[C@@H](NC(=O)c1ncccc1S(C)(=O)=O)c1ccccc1O 1648889732 JOXXTDAIPOVPBQ-SNVBAGLBSA-N 320.370 1.682 10 10 DDCE Cn1c(O)nc2cc(C(=O)NCc3c(O)cccc3O)ccc21 1645360794 JFQRPWJVKPXBMV-UHFFFAOYSA-N 313.313 1.620 10 10 DDCE CCO[C@@H](C)C(=O)N(C)CCNCc1ccc(OC)c(C)c1 1663830010 QPMJREMZYVKCKZ-AWEZNQCLSA-N 308.422 1.977 10 10 DDCE C[C@H]1CN(c2ccc(CN)c(Br)c2)CC[S@@]1=O 2004538332 OEGOLURDLDYPRH-XYZCENFISA-N 317.252 1.865 10 10 DDCE NCc1ccc(N2CCC[S@@](=O)CC2)cc1Br 321882094 QLHKGENEXGNYJY-QGZVFWFLSA-N 317.252 1.867 10 10 DDCE CN(Cc1nnnn1C)c1ccc(CN)cc1Br 707663566 CFCVFBABCLVPNX-UHFFFAOYSA-N 311.187 1.068 10 10 DDCE Cc1c[nH]cc(C)c1=NC(=O)NCCc1ccc(O)c(O)c1 2064160558 HBXIYAIZWHAPEQ-UHFFFAOYSA-N 301.346 1.896 10 10 DDCE CC(C)S(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(O)cc1O 2170585788 OONMGAOTYPCGEA-WDEREUQCSA-N 301.408 1.960 10 10 DDCE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O 1145105712 YFMIZZMDXUSVIS-MFKMUULPSA-N 324.377 1.283 10 10 DDCE CO[C@@H]1C[C@H](NCc2cc(Br)ccc2O)C[C@H]1O 2067189509 QMUSKJZMOBNIAY-RAIGVLPGSA-N 316.195 1.783 10 10 DDCE CN(C[C@H]1CCS(=O)(=O)C1)c1ccc(CN)cc1Cl 2092354302 XOOWSGVOTOHJHT-LLVKDONJSA-N 302.827 1.670 10 10 DDCE CCN1C(=O)C(=CNc2cccc(OC)c2)C(=O)NC1=S 2297365911 DTZWXDUPUDMEMY-UHFFFAOYSA-N 305.359 1.254 10 10 DDCE Cc1ccc(CN[C@H](C)[C@H](O)CO)c(O)c1Br 2307479694 LECUPACCHSZZBG-PSASIEDQSA-N 304.184 1.294 10 10 DDCE Cc1ccc(CNCc2nc(=O)o[nH]2)c(O)c1Br 2327613237 STHWIGOXCSGJDJ-UHFFFAOYSA-N 314.139 1.429 10 10 DDCE CC(=O)N(C(=O)C(=O)N1CCC[C@H](C)C1)c1ccc(N)cc1 170318563 RRXLZIFCGLUETA-NSHDSACASA-N 303.362 1.407 10 10 DDCE COc1cc(Cl)cc(CN2C[C@@H]3[C@H](C2)CS3(=O)=O)c1O 2361696478 XARPLONIOJWLNN-BXKDBHETSA-N 317.794 1.283 10 10 DDCE C[C@@H](O)CN(C)C(=O)c1cccc2c1C(=O)c1ccccc1C2=O 186184802 YFNWTZCMXADIAX-LLVKDONJSA-N 323.348 1.915 10 10 DDCE Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C)c(O)c1O 182575293 OJSHUMUAGDOARO-NSHDSACASA-N 302.334 1.571 10 10 DDCE N[C@H](Cc1ccc(O)c(O)c1)C(=O)OCCc1cccs1 49585198 VWZPWGFYEGWJCJ-GFCCVEGCSA-N 307.371 1.815 10 10 DDCE COc1ccc(N2CCN(C(=O)c3ccncc3O)CC2)cc1 82320379 QGVRMQOFRVQCJM-UHFFFAOYSA-N 313.357 1.758 10 10 DDCE COc1cc(Cl)c(N2CCC[C@@](O)(CO)C2)c(OC)c1 2368299328 ODNOXPMUQSWCTM-AWEZNQCLSA-N 301.770 1.681 10 10 DDCE COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cc(Cl)c(F)cc1O 294526005 CWIKOKLHMRZYPY-WCQYABFASA-N 317.744 1.683 10 10 DDCE CN1CCC(O)(CNCc2cc(Cl)c(F)cc2O)CC1 293488173 AIMMQWYGWLHHRQ-UHFFFAOYSA-N 302.777 1.731 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1C[C@@H]1N 1952194616 AMDNNWMTYONHRM-GRYCIOLGSA-N 308.378 1.881 10 10 DDCE COC(=O)CCS(=O)(=O)Nc1cc(Cl)c(O)cc1F 290494300 JQWCRHFTIFADQL-UHFFFAOYSA-N 311.718 1.490 10 10 DDCE CO[C@@]1(CN[C@H]2CCc3cccc(O)c32)CCS(=O)(=O)C1 903363595 PEUKLNGPEQHZNU-SWLSCSKDSA-N 311.403 1.173 10 10 DDCE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3c(F)ccc(O)c3O)[C@@H]2C1 900769064 RVVVFVCUUUPLPW-CDLYGTGVSA-N 323.320 1.554 10 10 DDCE CNC(=O)[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCO1 835047603 JHBQGHARJMWJBQ-APHBUQMISA-N 303.406 1.213 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@H](O)CF 1952205948 DQZGFHMACPHIQU-GXFFZTMASA-N 315.341 1.864 10 10 DDCE O=C(NCC[C@]1(O)CCOC1)NCc1cc(Cl)ccc1O 845458645 GWUCDDVVGRMKLE-AWEZNQCLSA-N 314.769 1.386 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@]2(C)CCOC2)cc1C 1266921344 USOJKBBJIDJLAH-GOSISDBHSA-N 320.433 1.978 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@H]2CCC[C@H](CO)C2)c1O 840977450 HWOMWCHNXCIGBH-JQWIXIFHSA-N 310.350 1.950 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@H]1COCC(=O)N1 1952885482 ZODPBVPDQUMSEB-SNVBAGLBSA-N 308.334 1.927 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@]2(CCO)CCOC2)c1 756655494 PVIKNQUAYXNIQH-PXAZEXFGSA-N 323.389 1.619 10 10 DDCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H](O)C1CCC1 856209145 WYDBPRQGBOMYNF-KRWDZBQOSA-N 318.417 1.425 10 10 DDCE CC(=O)NC1(C(=O)NCc2c(O)cccc2F)CCCCC1 928712738 YJKWQXPXYVCHKG-UHFFFAOYSA-N 308.353 1.987 10 10 DDCE O=S(=O)(CC[C@H]1CCCO1)NCc1c(O)cccc1F 921452755 YQOKTBZMLYKLOU-SNVBAGLBSA-N 303.355 1.520 10 10 DDCE C[C@H](NC(=O)NCc1ccnc(N(C)C)n1)c1ccccc1O 868476997 HRVMTONXZGNBPR-NSHDSACASA-N 315.377 1.809 10 10 DDCE CN1CCC(CNC(=S)N2Cc3cccc(O)c3C2)CC1 865258580 HLFRXJKIVIXVAN-UHFFFAOYSA-N 305.447 1.924 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@H](C(F)F)CC1 870645349 HJAMNIXIRRYUIW-LSYFEZSPSA-N 313.300 1.994 10 10 DDCE Cc1ccccc1-n1c(C)cc(C(=O)NC[C@H](O)[C@H](C)O)c1C 871123881 XEGJUKQKNYRVMH-YOEHRIQHSA-N 316.401 1.874 10 10 DDCE O=C(c1ccc(N2CCCC2)nn1)N1Cc2cccc(O)c2C1 871200985 ONPHGMLHAWVMQH-UHFFFAOYSA-N 310.357 1.938 10 10 DDCE CC(C)NC(=O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 895609143 FNYLMKJKSGVNQO-UHFFFAOYSA-N 322.386 1.957 10 10 DDCE Cn1nc(-c2ccncc2)cc1C(=O)NCc1cc(O)ccc1O 1153885457 OUDXDMVOOBPMBK-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE CC[C@]1(C)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1332040773 AFEPBSAQRAPDCR-QGZVFWFLSA-N 302.374 1.883 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC2(CC1)OCCCO2 1450205611 AWUDBRFXZNHGRW-UHFFFAOYSA-N 307.346 1.396 10 10 DDCE CN(CCn1cccn1)C(=O)c1ccc(N=NC(N)=O)cc1 1617495877 HCPOUAQKQORSMP-UHFFFAOYSA-N 300.322 1.818 10 10 DDCE COCCOC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1628715088 DIMPBGURFQUAFI-JTQLQIEISA-N 308.338 1.630 10 10 DDCE C[C@@H](NC(=O)CNC(=O)Cc1ccccc1)c1ccccc1O 1557965815 NUCDFICKTQSCAR-CYBMUJFWSA-N 312.369 1.928 10 10 DDCE C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3c(O)cccc3O)CN2C1 1647291243 VEMHASHBVBECLD-AGIUHOORSA-N 304.390 1.834 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@H]1CC(=O)N(C2CCCC2)C1 1651222520 JJQXGXVACVGZCI-GFCCVEGCSA-N 318.373 1.505 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@H]2CCN3CCC[C@@H]3C2)cc1 157353872 YSMYUAIPBGRZBJ-LSDHHAIUSA-N 309.435 1.315 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cc1 157943947 ZHJNCQUKALPFKE-STQMWFEESA-N 310.419 1.709 10 10 DDCE COC(C)(C)CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 821197472 BJTLLYHIMRPFFZ-UHFFFAOYSA-N 304.324 1.467 10 10 DDCE CC(=O)NCCn1ccc(=O)c(OCc2ccc(N)cc2)c1C 1857909537 AOBJANVHLQGMMV-UHFFFAOYSA-N 315.373 1.454 10 10 DDCE NCC1(O)CN(Cc2cc(Cl)cc(Br)c2O)C1 1949093087 BDBCGQARKDWAEF-UHFFFAOYSA-N 321.602 1.314 10 10 DDCE Oc1ccc(CCN=c2nc(Br)[nH]s2)cc1O 2001637191 LREQPIQNOZLOPR-UHFFFAOYSA-N 316.180 1.788 10 10 DDCE CCNC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1984753222 VWRXULIPIXYUGX-NSHDSACASA-N 324.377 1.670 10 10 DDCE COc1cc(Cl)cc(CN2CCC[C@@](O)(CN)C2)c1O 2157528184 HSYLUNUONQESCI-CQSZACIVSA-N 300.786 1.340 10 10 DDCE Nc1ccc(-n2nccc2NS(=O)(=O)CC(F)F)cc1 694082618 RERUGOIBMPJFQU-UHFFFAOYSA-N 302.306 1.461 10 10 DDCE NCC[C@@H]1CN(Cc2ccc(Br)cc2O)CCO1 2055859576 LWGFEUKWOBIYFC-GFCCVEGCSA-N 315.211 1.704 10 10 DDCE CN1C[C@@H]2C[C@H]1CN2c1cc(Br)c(CN)cc1F 2067391568 IBRMXIHVYWQGJP-UWVGGRQHSA-N 314.202 1.940 10 10 DDCE N[C@@H]1CC(CN2CCc3cccc(Br)c32)=C[C@@H]1O 2067768685 KORNBHKNQAQLMV-OLZOCXBDSA-N 309.207 1.830 10 10 DDCE O=S1(=O)C[C@H]2CCN(c3ccc(CO)c(Cl)c3)[C@H]2C1 2094928211 UOOZJRVLDAYMCV-MFKMUULPSA-N 301.795 1.456 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3CCO[C@]3(CO)C2)cc1Cl 2239919340 WNGJZTKAVREFPX-HZMBPMFUSA-N 300.761 1.525 10 10 DDCE CSc1ncc(CNC(=O)C[C@@H]2C[C@@H](N)CCO2)s1 2269095080 LAOITZOLRZZKMJ-IUCAKERBSA-N 301.437 1.378 10 10 DDCE COCCN1CCN(C(=O)C=Cc2ccc(O)c(O)c2)C[C@@H]1C 2308001471 MAGNPEWMXNWUDB-ZDUSSCGKSA-N 320.389 1.290 10 10 DDCE COc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)c1 114543626 ILZKDMHSHQAJMH-LBPRGKRZSA-N 306.362 1.274 10 10 DDCE Nc1ccc(O)c(CNS(=O)(=O)c2ccc(F)cc2F)c1 36742780 AOMGXUKXFXBZPH-UHFFFAOYSA-N 314.313 1.731 10 10 DDCE N=C1/C(=C/c2ccc(C(=O)O)cc2)C(=O)N=C2SC=NN12 33732651 ULUINQDRBUYHNS-KQIWNXFLSA-N 300.299 1.634 10 10 DDCE CCC(C)(C)NC(=O)CN(C)c1ccc(OCC(=O)OC)cc1 183812227 IYUQMXDLMLDOKC-UHFFFAOYSA-N 322.405 1.979 10 10 DDCE CC(C)CN1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1=O 187103036 BWLRDQYQUBWZFM-UHFFFAOYSA-N 307.350 1.601 10 10 DDCE CC[C@H]1CN(Cc2cccc(OC)c2O)CCN1C[C@H](C)O 245813325 ZSNUJFJZCRJRMH-ZFWWWQNUSA-N 308.422 1.678 10 10 DDCE COc1cc(O)c(CN2CC[C@]3(CNC(=O)C3)C2)cc1OC 278793098 PBBKPOARYMOHPD-INIZCTEOSA-N 306.362 1.121 10 10 DDCE COC(=O)[C@@H](CF)NCc1cc(Cl)cc([N+](=O)[O-])c1O 289988202 BZBBUIHNEBTQON-MRVPVSSYSA-N 306.677 1.555 10 10 DDCE COc1cccc(CN2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1O 824654424 OBDUYCVKSLPDFK-RRFJBIMHSA-N 307.390 1.763 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN(C)C2=O)c1 825737247 WSUVDUKSWKFKON-ZYHUDNBSSA-N 306.362 1.446 10 10 DDCE COC(=O)c1conc1C(C)(C)NC(=O)c1cccc(O)c1O 822452085 WDXGRWXRGXUCSM-UHFFFAOYSA-N 320.301 1.538 10 10 DDCE C[C@@H](NC[C@]1(CO)COCCN1C)c1ccc(N(C)C)cc1 903277482 ANOFPXIDLHAELO-PBHICJAKSA-N 307.438 1.096 10 10 DDCE C[C@H]1CNCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 841064902 VUAZKUZKFYVNGQ-XJKSGUPXSA-N 307.413 1.750 10 10 DDCE C[C@H]1CN(Cc2cc3c(cc2O)OCO3)[C@H](C)CN1CCO 841892197 UVOCKYOFMWEREO-NWDGAFQWSA-N 308.378 1.008 10 10 DDCE Cn1c2c(ccc1=O)[C@@H](NC(=O)c1cc(O)cs1)CCC2 855031591 ZUFOYHOFPALSQX-NSHDSACASA-N 304.371 1.960 10 10 DDCE CO[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCOC1 855211977 UOXWLGXKMSBRAU-KUXCDZRCSA-N 307.346 1.279 10 10 DDCE CCN1CCC[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C1=O 925984299 ICXROTSXGJCLPT-AAEUAGOBSA-N 305.378 1.763 10 10 DDCE Cc1ccc(C(=O)N[C@H]2CC(=O)N(CC3CC3)C2)c(O)c1O 922800087 ZNEPVLIVFCQFTD-NSHDSACASA-N 304.346 1.147 10 10 DDCE C[C@@H](Cn1cncn1)NCc1c(O)cccc1Br 858115903 PXRSVQGKKQNERM-VIFPVBQESA-N 311.183 1.925 10 10 DDCE CN(C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1 852653680 YMOFLTDBZPAGBO-MRXNPFEDSA-N 304.438 1.940 10 10 DDCE C[C@@H]1NCC[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 861564267 IJUIAXOWEYJOBB-XJKSGUPXSA-N 318.421 1.073 10 10 DDCE NC(=O)c1cncc(NCc2cccc(Br)c2O)n1 764933433 CXTKQMPCZODOEU-UHFFFAOYSA-N 323.150 1.656 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H](O)C[C@H]2CO)cc1Br 698114332 KOCMJHXIHCQAGB-INTQDDNPSA-N 315.211 1.401 10 10 DDCE O=C(c1cccc(O)c1O)N1C[C@]2(CO)CCCC[C@]2(CO)C1 1304455305 JANXEPOANBWVCM-CALCHBBNSA-N 321.373 1.085 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCOC[C@@H]1C(F)(F)F 1320030107 CSYDABPMYJOUGB-FXMSTWTQSA-N 317.263 1.901 10 10 DDCE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)C(=O)N(C)Cc1ccccc1O 1331856151 UUNJFAWAGSVPCG-REBRKWNGSA-N 316.401 1.759 10 10 DDCE CC[C@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)CN1Cc1ccccc1 1912199634 VMHAAGRMIJLJTF-GOEBONIOSA-N 316.409 1.795 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](CN2CC[C@H](CN=[N+]=[N-])C2)C1 1912167690 NUGXSABKVQRSFQ-NEPJUHHUSA-N 301.416 1.290 10 10 DDCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)CNC(C)=O)cc1C 1505548146 UMMFYECNUAWZRX-CHWSQXEVSA-N 321.421 1.123 10 10 DDCE CCN1CC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1294756075 RFVXLHDQWPVXOJ-INIZCTEOSA-N 303.406 1.438 10 10 DDCE Cn1cc(C(=O)NCc2ccc(O)cc2O)c(C(F)(F)F)n1 1299575097 XSTLLSDWRYPHDH-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE Cc1ccc(C(=O)NCC(=O)NCc2c(O)cccc2F)s1 1558455228 KAFAPVMMCSZFBT-UHFFFAOYSA-N 322.361 1.947 10 10 DDCE NC(=O)N[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 1637746154 RELGAONGYOZIIX-QMMMGPOBSA-N 321.358 1.195 10 10 DDCE CN(C)c1cccnc1CNC(=O)Cc1ccc(O)c(O)c1 1636949637 UVRRAGUKFUKPFY-UHFFFAOYSA-N 301.346 1.418 10 10 DDCE O=C(NCc1ccccc1O)[C@@H]1COc2ccc(O)cc2O1 1595793693 ZRRHBHUMZXKOCX-HNNXBMFYSA-N 301.298 1.554 10 10 DDCE CC(C)(C)OC(=O)NCC[C@H](F)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043020 JOMMDCVHCROYAJ-DCAQKATOSA-N 316.373 1.505 10 10 DDCE COC(=O)[C@@H]1C[C@H]2CCC[C@@H]2N1C(=O)c1cc(O)c(O)c(O)c1 1866302800 DQZUHPWGNSTGQD-MIMYLULJSA-N 321.329 1.360 10 10 DDCE CC1(C)CN(Cc2cc(F)cc(F)c2O)CCS1(=O)=O 894064524 KTRGTQKSZQIYTK-UHFFFAOYSA-N 305.346 1.679 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CN(CCCN=[N+]=[N-])CC[C@H]1CO 1975181074 YVWNNBHIOVSPLC-RYUDHWBXSA-N 313.402 1.894 10 10 DDCE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 1985093615 BWBONOXCZXULCX-NSHDSACASA-N 324.385 1.059 10 10 DDCE O=C(O)[C@H]1[C@H]2CN(Cc3ccc(Br)cc3O)C[C@H]21 2027567506 KODRPCIZVFLZBJ-PEGIJTEDSA-N 312.163 1.917 10 10 DDCE Nc1ccc(CS(=O)(=O)NC2C[C@@H]3CSC[C@H]3C2)cc1 2161050908 ZORRPIDCXPZKAX-VXGBXAGGSA-N 312.460 1.830 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](CN2CCC[C@H]2CN=[N+]=[N-])C1 2179616283 NMUXEJQXUUPYMD-RYUDHWBXSA-N 301.416 1.433 10 10 DDCE CN1C[C@H](NCc2c(O)cccc2Br)CCC1=O 706852061 KXRDVLFZRQAPSZ-SECBINFHSA-N 313.195 1.865 10 10 DDCE CN(c1ccc(CO)cc1F)[C@H]1CCCS(=O)(=O)CC1 694193506 XEXRKAREQPYRFI-LBPRGKRZSA-N 301.383 1.722 10 10 DDCE C[C@H](NCc1c(O)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 2089886396 DQMLYYHMHUXXGC-VHSXEESVSA-N 303.811 1.958 10 10 DDCE COc1cc(S(=O)(=O)Nc2ccc(O)c(N)c2)sn1 2227842982 OKUWWWGPUTZGQE-UHFFFAOYSA-N 301.349 1.240 10 10 DDCE CSc1ncc(CNC(=O)c2ncc(NN)cc2C)s1 2284732448 ZYQDUIXFYOOQEE-UHFFFAOYSA-N 309.420 1.784 10 10 DDCE CSc1ncc(CNC(=O)N2[C@@H](C)CNC[C@@H]2C)s1 2269275780 ZCGJTRZUBPMNPJ-IUCAKERBSA-N 300.453 1.757 10 10 DDCE CSc1ncc(CNC(=O)NC2(C(=O)O)CC(C)C2)s1 2284542921 CARQDVJAOXZMQM-UHFFFAOYSA-N 315.420 1.918 10 10 DDCE Cc1ccc(CNC(=O)CC(=O)O)c(O)c1Br 2307568119 ALYSJKYNEVZDQQ-UHFFFAOYSA-N 302.124 1.554 10 10 DDCE C[C@@H](O)c1ccc(N2CC([C@H](O)CO)C2)cc1Br 2315276444 OPBWMSSFLKLJSJ-AMIZOPFISA-N 316.195 1.292 10 10 DDCE Oc1c(Br)cccc1CNCc1nnn2c1CCC2 2338998974 IGBUJEHFBGXNNY-UHFFFAOYSA-N 323.194 1.982 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1cccc2c1OCC(=O)N2 104853174 GJJHPLPBYMUUKA-UHFFFAOYSA-N 312.325 1.995 10 10 DDCE COCCN/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 103123171 PANIUTQLYYJGHB-FLIBITNWSA-N 323.736 1.883 10 10 DDCE Oc1ccc(F)cc1Cn1ncnc1I 2070057034 AXMUZOJJOFKWLD-UHFFFAOYSA-N 319.077 1.776 10 10 DDCE COCCN(C(C)C)S(=O)(=O)CCOc1ccc(N)cc1 122524394 XNBHDEUQGKMNLW-UHFFFAOYSA-N 316.423 1.334 10 10 DDCE C[C@H](O)c1cc(F)c(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c(F)c1 2361606575 SNVAMKSWJJNELA-DXBFQKDVSA-N 303.330 1.251 10 10 DDCE NCc1ccc(N2CC[C@H](S(=O)(=O)C(F)F)C2)c(F)c1 2368715211 YEMUIKGMSHNTCM-VIFPVBQESA-N 308.325 1.501 10 10 DDCE CCOC(=O)CCS(=O)(=O)N(C)[C@@H](C)c1ccccc1O 49064278 CJZXWUYPBFQPGI-NSHDSACASA-N 315.391 1.668 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)C2)c(Br)c1 235223685 PEEGLKVRHOPHBY-MKCWBWRRSA-N 301.184 1.011 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1ccc2c(c1)OCO2 243832141 QZJBQDGJUKUCGL-UHFFFAOYSA-N 301.298 1.685 10 10 DDCE CCNCc1ccc(N2CC(NS(C)(=O)=O)C2)c(Cl)c1 703167646 RFSMCBLYTMVTMY-UHFFFAOYSA-N 317.842 1.187 10 10 DDCE O=C(NCC1(CO)CC2(CCC2)C1)c1c(F)ccc(O)c1O 295167968 GEDWAPUSGLKYNM-UHFFFAOYSA-N 309.337 1.910 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(Cl)nc(N2CCCC2)c1 808516618 IOVVRMVIMQGDOM-UHFFFAOYSA-N 310.737 1.650 10 10 DDCE CC(C)C[C@H](CO)N(C)CC(=O)NCc1ccc(N(C)C)cc1 299217149 HLCLBJYPIVVTAI-QGZVFWFLSA-N 321.465 1.708 10 10 DDCE CO[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCOC1 824676405 JXWDOCYNIXZCLZ-DOTOQJQBSA-N 318.417 1.737 10 10 DDCE CC(=O)c1cc(F)cc(CN2CC[C@@H]3[C@H](C(=O)O)[C@@H]3C2)c1O 903629527 JTKRFURUZXIZQW-YUTCNCBUSA-N 307.321 1.886 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@]3(C)C[C@H](O)CN3C)ccc21 900432507 CZYOVFIDROXTQL-YJBOKZPZSA-N 317.433 1.140 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@H](CO)c2ccnn2C)cc1 839178517 CTRUQJPSAITIGZ-DWTRPJMMSA-N 300.406 1.823 10 10 DDCE CO[C@]1(CN[C@H](C)c2cc(F)ccc2O)CCS(=O)(=O)C1 903365085 HRZROMWPARVTKC-YGRLFVJLSA-N 317.382 1.386 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)[C@]2(C)C[C@H]3CC[C@H]2O3)cc1 832286366 YPJSLPXIIZUQTC-YFHUEUNASA-N 317.433 1.826 10 10 DDCE CN1CCN(c2ccc(CNC[C@H]3C[C@@H](N(C)C)C3)cc2)CC1 848563934 ZJXYRNXGAIJYBW-IZAXUBKRSA-N 316.493 1.868 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc([C@H]2CNCC(=O)N2)c(O)c1 1952565328 VWWTYBHKCYFVMH-LLVKDONJSA-N 307.350 1.500 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C)nn3)C2)cc1 855226424 RWGPOQAJZJBFDR-CYBMUJFWSA-N 312.373 1.802 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cc3cncnc3)C2)cc1 855226561 QQUUOSDYJIGZSE-CQSZACIVSA-N 312.373 1.423 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C3CCN(C)CC3)C2)cc1 855231353 LCMLOSKMHFVEJD-OAHLLOKOSA-N 317.433 1.732 10 10 DDCE COC(=O)C(C)(C)n1ccc(NC(=O)Cc2ccc(N)cc2)n1 851646039 UEXRMNAWCTWOCL-UHFFFAOYSA-N 316.361 1.555 10 10 DDCE COC(=O)c1coc(C(=O)NCc2cccc(OC)c2O)c1 759957297 ANQCLTPLXAJHML-UHFFFAOYSA-N 305.286 1.710 10 10 DDCE CCC(F)(F)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 862900294 NNZKUPDIPWUKBY-UHFFFAOYSA-N 322.333 1.539 10 10 DDCE COC(=O)c1cc(OCC(=O)NCC2CC2)ccc1N(C)C 865396043 HWRVJCBHTNCJBJ-UHFFFAOYSA-N 306.362 1.444 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccnn1 862040103 YRVDVTVXXHWSDG-UHFFFAOYSA-N 315.329 1.388 10 10 DDCE C[C@@H](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1O 867834107 GAOVHJXPPREZKL-ZYHUDNBSSA-N 324.402 1.136 10 10 DDCE O=C(NCc1ccc(N2CCCC2)cc1)[C@H](O)c1cnc[nH]1 864861703 DTFONZFLXCLWGE-OAHLLOKOSA-N 300.362 1.360 10 10 DDCE COCC[C@H](C)S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 776435048 WZQPYGNPMNHVBX-QMMMGPOBSA-N 303.336 1.257 10 10 DDCE CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCNC1=O 897243858 XGFNHOURTSQKON-QMMMGPOBSA-N 306.343 1.273 10 10 DDCE C[C@@H](N)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1Cl 78927750 KOIXQFAKVHTYKW-SNVBAGLBSA-N 317.842 1.441 10 10 DDCE CCc1nc(CNC(=O)c2ccc(N=NC(N)=O)cc2)n[nH]1 1141390967 RVZWCBIVANTWMO-UHFFFAOYSA-N 301.310 1.460 10 10 DDCE Oc1ccc(CNCc2ccc(Br)cc2O)nn1 691475538 AJNWPFCTCWEZKO-UHFFFAOYSA-N 310.151 1.940 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@H]1CC(c2ccccc2)=NO1 1304051637 ZJBGKNNOPGRLPW-MRXNPFEDSA-N 312.325 1.907 10 10 DDCE O=C(NCc1c(O)ccc2ccccc12)c1ccc2nnnn2c1 1304090948 VIBGOPIMOGAPCF-UHFFFAOYSA-N 319.324 1.913 10 10 DDCE C[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1O 1302532465 DLQGDXGSKUHRKU-LBPRGKRZSA-N 323.352 1.980 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CNC(=O)C1 1312864399 BWTZKRXVCNCCKX-LBPRGKRZSA-N 305.378 1.450 10 10 DDCE CC1(CS(C)(=O)=O)CN(c2ccc(CN)cc2Cl)C1 2116582849 VNBSTRBGDSKNBE-UHFFFAOYSA-N 302.827 1.670 10 10 DDCE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](C)NCCCO 1282243910 YEVUVHFBJFUHHE-MNOVXSKESA-N 321.381 1.328 10 10 DDCE O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c(O)c1 440874 BALKKLPJQHKSGU-XYOKQWHBSA-N 324.292 1.764 10 10 DDCE O=C(N[C@H]1CN(c2ccccc2)C1=O)c1c(F)ccc(O)c1O 1472543306 SALFQKHTVHVMTL-NSHDSACASA-N 316.288 1.382 10 10 DDCE CC(=O)C(=O)[C@]1(O)[C@@H]2C[C@@H]3[C@@H]1N(C(=O)OC(C)(C)C)C[C@@H]3C2 1919161063 WYCIJESHVGVNNO-VZAVHYRXSA-N 309.362 1.151 10 10 DDCE C[S@](=O)[C@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1611683750 ZFOOUSUBMVNFNJ-DMDKVIGKSA-N 322.390 1.878 10 10 DDCE O=C(N[C@H]1CS(=O)(=O)Cc2ccccc21)c1cc(O)cs1 1641111963 YRXPUMULERZYGH-LBPRGKRZSA-N 323.395 1.853 10 10 DDCE COCCOc1cncc(C(=O)NCc2cccc(O)c2O)c1 1593739637 SMDYRNMLIANDDG-UHFFFAOYSA-N 318.329 1.448 10 10 DDCE CC(C)(C)N1CC[C@@](F)(C(=O)NCc2c(O)cccc2O)C1 1597574929 VTYWPIKBASMOPW-INIZCTEOSA-N 310.369 1.927 10 10 DDCE COc1ccc(CNCCN(CCO)C(=O)[C@@H]2C[C@H]2C)cc1C 1672576138 PILMXTKKEJLSMN-CZUORRHYSA-N 320.433 1.570 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 1772906513 YMTDXMRKFZQMJI-ALCCZGGFSA-N 305.334 1.531 10 10 DDCE CN1C(=O)/C(=C\c2ccccc2OCC(=O)O)SC1=S 16905265 KOOLFMQLFUZBPA-UXBLZVDNSA-N 309.368 1.981 10 10 DDCE CC(=O)C(=O)[C@]1(O)CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 1974854399 GGSURKDHEGXQLC-INIZCTEOSA-N 311.378 1.829 10 10 DDCE Nc1cc2c(cc1N1CCCC[C@H]1C1OCCO1)NC(=O)CO2 2145806633 VOVCPBRVFBHHDR-LBPRGKRZSA-N 319.361 1.332 10 10 DDCE NCc1ccc(N2CC=C[C@@H]2CO)c(F)c1Br 2007499417 YGWUGUVDGHLQAC-SECBINFHSA-N 301.159 1.784 10 10 DDCE CNCc1ccc(N2C[C@@H]3C(CO)[C@H]3C2)c(Br)c1 2030272488 JDCBAMQMLFCBGU-QWRGUYRKSA-N 311.223 1.843 10 10 DDCE CCS(=O)(=O)[C@H]1CSCCN1Cc1ccc(N)cc1 90926441 ONKHYTKJYUVTMF-ZDUSSCGKSA-N 300.449 1.578 10 10 DDCE C[C@H]1CN(c2cc(Cl)c(CN)cc2F)C[C@@H](C)S1(=O)=O 2177382298 YUSJPAAFLVGLQY-DTORHVGOSA-N 320.817 1.950 10 10 DDCE Oc1cc2c(cc1CN[C@H]1CCCC3(C1)OCCO3)OCO2 715642791 VOEPCTDMQVUVFP-LBPRGKRZSA-N 307.346 1.896 10 10 DDCE CC1(CS(C)(=O)=O)CN(c2c(F)cc(CO)cc2F)C1 2173195137 MFPYHCOABVDANL-UHFFFAOYSA-N 305.346 1.328 10 10 DDCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)[C@@H](C)COC 399620576 LODQSZHPKJSZKO-LBPRGKRZSA-N 300.424 1.846 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCCN(S(=O)(=O)C[C@@H]2CCC2=O)C1 2178183220 DDDKUXYEXBUPKX-MNOVXSKESA-N 300.384 1.708 10 10 DDCE CS[C@H]1CN(c2c(F)cc(CO)cc2F)C[C@@H]1N(C)C 2170705857 LYTANSFYSBDRBX-STQMWFEESA-N 302.390 1.939 10 10 DDCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@@H]3CO)c(Br)c1 2082970657 RYSHWRWOXNTBOE-GYSYKLTISA-N 311.223 1.986 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCC[C@H](COc2nnc(=N)[nH]n2)C1 2210658876 VRMSWVRXAQTLNN-UWVGGRQHSA-N 324.385 1.141 10 10 DDCE CC[C@@H](C)NCc1cnc(SC2=NC(=O)CC(=O)N2)s1 2240294764 CCRXILOTSXOQDE-SSDOTTSWSA-N 312.420 1.526 10 10 DDCE C[C@@H](O)c1ccc(N2CC(O)(CCO)C2)cc1Br 2258288426 MVRFHGAJOUMSLL-SECBINFHSA-N 316.195 1.436 10 10 DDCE CN(C)S(=O)(=O)[C@H]1CCN(Cc2ccc(Cl)cc2O)C1 2279282437 ZFRRWVMMXDEUOA-LBPRGKRZSA-N 318.826 1.511 10 10 DDCE CSc1ncc(CNC(=O)c2cc(NN)nc(C)n2)s1 2284727411 MOCGXWYVFKIBGH-UHFFFAOYSA-N 310.408 1.179 10 10 DDCE C[C@@H](N)c1ccc(N2CC([C@H](O)CO)C2)cc1Br 2315165284 BMPARJGKNJQOLF-AMIZOPFISA-N 315.211 1.258 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NCc2noc(C)n2)c1 173568398 JRRTXNBCXGQQQT-QMMMGPOBSA-N 306.322 1.653 10 10 DDCE COc1ccc(O)c(CNC(=O)/C=C/c2cncc(O)c2)c1 182131773 SUASFBAOJAIFRR-GORDUTHDSA-N 300.314 1.831 10 10 DDCE COc1ccc(N2CCN(CC(=O)NCCC(C)C)CC2)cc1 39561415 RNPFMFKAHSNZEJ-UHFFFAOYSA-N 319.449 1.980 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)N2CCOc3ccncc32)c1 255164585 OFVCSYXYBDWCKV-IHWYPQMZSA-N 324.340 1.275 10 10 DDCE Cc1nn(C)cc1CC(=O)N1CCOc2cc(N(C)C)ccc21 450049099 PSQZKJVTYUVKFH-UHFFFAOYSA-N 314.389 1.763 10 10 DDCE CC(=O)C(=O)CSc1nc2ccccc2c(=O)n1CCCO 808012274 IWKDBRKFHCFLSC-UHFFFAOYSA-N 320.370 1.029 10 10 DDCE COCC[C@@H](COC)NC(=O)NCc1ccc(N(C)C)cc1C 811955666 DABXFPKWQLLWOP-HNNXBMFYSA-N 323.437 1.912 10 10 DDCE COc1ccc2c(c1)CCN2C(=O)c1c[nH]nc1[C@H]1CCNC1 662422931 RWSGBJMWEUCSCJ-LBPRGKRZSA-N 312.373 1.698 10 10 DDCE COc1cccc(CN[C@@H]2CNCC3(CCOCC3)C2)c1O 903974093 LKBMCQYOXUQKAI-AWEZNQCLSA-N 306.406 1.649 10 10 DDCE C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 906385780 SNBBYRIFVVDYPC-WMLDXEAASA-N 318.417 1.955 10 10 DDCE CC(C)N1CC[C@@H](NC(=O)NCc2c(O)cccc2F)C1=O 918831755 XFMHEBPTGRASDK-GFCCVEGCSA-N 309.341 1.340 10 10 DDCE CCn1nccc1S(=O)(=O)NCc1cc(Cl)ccc1O 845995434 BUAZONACSLNGNB-UHFFFAOYSA-N 315.782 1.741 10 10 DDCE COc1ccc(N2CCN(C[C@H](OC)[C@@H]3CCOC3)CC2)cc1 851714699 TWJARHBEGJRXNK-QAPCUYQASA-N 320.433 1.869 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(c2cc(O)ccc2O)C[C@H]1C(=O)O 1952772527 MQAXUECGNOGMHR-BONVTDFDSA-N 309.318 1.922 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C3(O)CCCC3)C2)cc1 855234372 YNKUCEPUQBTRFS-ZDUSSCGKSA-N 304.390 1.695 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCCCn2ccnn2)c1 757654797 CWMUMUPTFMPZIE-NSHDSACASA-N 304.350 1.511 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCOC3)C2)cc1 852125872 YYAPNHUPBXATLY-UONOGXRCSA-N 319.405 1.752 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cc(C=O)n(C)c2)cc1F 931147026 OTVIRKYGICKICV-UHFFFAOYSA-N 303.337 1.973 10 10 DDCE CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)C1 871538800 VIGIIQVKSWQZMJ-AOOOYVTPSA-N 307.346 1.948 10 10 DDCE CNC(=O)[C@@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)C 773397902 UAPYUCADYVDKLB-WFASDCNBSA-N 320.437 1.883 10 10 DDCE CO[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@](C)(CO)C1 870524849 BVZOKYZZSXTWHP-PCFSSPOYSA-N 307.346 1.109 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](C(N)=O)C2)cc1 1135517186 GFUGMQSVJZWJDQ-SNVBAGLBSA-N 303.322 1.187 10 10 DDCE CNCc1cc(F)c(N2CCS[C@@H](CCO)C2)c(F)c1 720045325 NNBOGVFXTCHYFO-NSHDSACASA-N 302.390 1.988 10 10 DDCE CCN(CCS(C)(=O)=O)c1c(F)cc(CNC)cc1F 688531638 XNTKQBKBDPOUAN-UHFFFAOYSA-N 306.378 1.555 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2cnn(C)c2OC)c1 1325196117 GJJXATBSHRKJTL-VIFPVBQESA-N 305.334 1.634 10 10 DDCE COc1ccc2c(c1)OC[C@@H](NC(=O)c1cccc(O)c1O)C2 1466650456 VVNBJVQKJZOMML-NSHDSACASA-N 315.325 1.840 10 10 DDCE O=C1C[C@@H](c2ccccc2)N(C(=O)Cc2ccc(O)c(O)c2)N1 1558889154 XXWVYCDMUYDUPT-ZDUSSCGKSA-N 312.325 1.645 10 10 DDCE O=C([C@H]1CC(c2ccccn2)=NO1)N1Cc2cccc(O)c2C1 1558035883 PBMVXCOJJNQQGY-MRXNPFEDSA-N 309.325 1.823 10 10 DDCE C[C@@H](NC(=O)CCCCCS(N)(=O)=O)c1ccccc1O 1632247218 VKGPEKHVDLYTLW-LLVKDONJSA-N 314.407 1.418 10 10 DDCE COc1ccc(CCNC(=O)c2c(F)ccc(O)c2O)cc1O 1639027028 WDLPVFYTOLHHTD-UHFFFAOYSA-N 321.304 1.924 10 10 DDCE Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)NC(N)=O)cc1 5643771 VXXQRXIEOFLFAH-UHFFFAOYSA-N 315.329 1.446 10 10 DDCE Nc1ccc(CCc2nc([C@H]3CCS(=O)(=O)C3)no2)cc1 157991328 WNNGRTMCUUTILQ-NSHDSACASA-N 307.375 1.339 10 10 DDCE C[C@H](N)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865915894 BQNOXANHVKENIC-YOEHRIQHSA-N 318.465 1.743 10 10 DDCE CC1=NN(C(N)=S)C(=O)[C@@H]1N=Nc1ccc(C)c([N+](=O)[O-])c1 252461175 LCIXUCVLYXIPGI-SNVBAGLBSA-N 320.334 1.817 10 10 DDCE COCCNCc1cnc(SCC(=O)N2CCCC2)s1 2155334208 JJMVBYJIGCHPEP-UHFFFAOYSA-N 315.464 1.594 10 10 DDCE Oc1c(Br)cccc1CNC1COCCOC1 384140321 MTTNGPNCBCMVJZ-UHFFFAOYSA-N 302.168 1.660 10 10 DDCE Cn1c(C2=C[C@@H](O)[C@H](N)C2)nc2c(Br)cccc21 2067758041 TZVVYYXLTCMFAY-MWLCHTKSSA-N 308.179 1.811 10 10 DDCE Cc1cc([C@H](C)O)ccc1N1CCSC[C@H]1S(C)(=O)=O 2240827570 AGERAZZARPWJJE-SMDDNHRTSA-N 315.460 1.972 10 10 DDCE CSc1ncc(CNCc2cncc(C(=N)NO)c2)s1 2284682864 JOFFAHSKUWNWCB-UHFFFAOYSA-N 309.420 1.854 10 10 DDCE Cc1ccc(CN(C)[C@H]2CNC[C@@H]2O)c(O)c1Br 2327801496 SEWWIIXZENDCGR-QWRGUYRKSA-N 315.211 1.228 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)C[C@@H]3OCC[C@@H]32)s1 2345034891 BESBLLSQVCGLQQ-HOTUBEGUSA-N 300.405 1.587 10 10 DDCE CSc1ncc(CNC2(C(=O)O)CCN(C)CC2)s1 2345397889 BONSSFYWMNRCCP-UHFFFAOYSA-N 301.437 1.504 10 10 DDCE CCOc1ccc(N2CC(=O)N3CCC[C@@H](C)N3C(=O)C2)cc1 1579217 NIEZKKNMLQZNCK-CYBMUJFWSA-N 317.389 1.660 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCCCCN1CCOCC1 180661894 DQIXODJZILSDMO-GQCTYLIASA-N 320.389 1.340 10 10 DDCE CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](O)[C@H]1N=[N+]=[N-] 32106889 WCSBCLMCXJSBOJ-PRFQISJJSA-N 307.306 1.512 10 10 DDCE COc1ccc(O)c(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)c1 183277458 PQMHBZLXMAIPOQ-DZGCQCFKSA-N 313.419 1.846 10 10 DDCE O=S1(=O)C=C[C@@H](NCc2cc(Br)ccc2O)C1 236616863 WEAAGJIDFHMPSB-SNVBAGLBSA-N 318.192 1.555 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(C(=O)OC(C)(C)C)c1 808533358 ZHVFRLTWNSRDHD-UHFFFAOYSA-N 306.314 1.957 10 10 DDCE COC(=O)c1cn(CC(=O)OCC(=O)C(C)=O)c2ccccc12 808496904 CLVCMSXWULWEJX-UHFFFAOYSA-N 317.297 1.129 10 10 DDCE CCc1cccc(CN2CCC(N3CC[C@H](O)C3)CC2)c1O 827700033 OKVTULSZHLNOPR-KRWDZBQOSA-N 304.434 1.986 10 10 DDCE CN1CCC[C@H](C(=O)NCCCSc2nccs2)C1=O 823298105 OCLJZNAABFLPDP-SNVBAGLBSA-N 313.448 1.610 10 10 DDCE Cc1cc(C)c([C@H](C)NC[C@]2(CO)COCCN2C)c(O)c1 903281589 YOEWUZYZUMBPBM-YOEHRIQHSA-N 308.422 1.353 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CC[C@@H]2NCC[C@H]2C1 843128317 VTRVDQUOWMKQIF-WMZOPIPTSA-N 301.434 1.707 10 10 DDCE CN1C(=O)CN(C(=O)OC(C)(C)C)C[C@@H]1Cc1ccc(N)cc1 1952854063 PSKZNQNRKHESSF-AWEZNQCLSA-N 319.405 1.889 10 10 DDCE Nc1nccc([C@H]2CCCN(C(=O)c3cc(O)cs3)C2)n1 846651451 SSCAXFSYKDJCFJ-VIFPVBQESA-N 304.375 1.846 10 10 DDCE Cn1ncc(NC(=O)C(=O)NCc2ccccc2O)c1C(F)F 758989167 BFCPBORKPXFTPW-UHFFFAOYSA-N 324.287 1.318 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](O)c2ccnn2C)c1 927128466 CTKXBCZJGRSECN-ZUZCIYMTSA-N 319.361 1.297 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCNC1=O 852383757 JXECXYDTGBFPEJ-WFASDCNBSA-N 318.421 1.180 10 10 DDCE CCOc1cccc(F)c1C=C1C(=O)N(C)C(=O)N(C)C1=O 871598093 FSWZVQVCUXDRLV-UHFFFAOYSA-N 306.293 1.658 10 10 DDCE CCn1[nH]nnc1=NC(=O)c1ccc(-n2c(C)ccc2C)cc1 1128977805 AJXKWSAQSINAHU-UHFFFAOYSA-N 310.361 1.775 10 10 DDCE COC[C@H](C)CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 783650318 FYGSQJODKSUEJR-ZBFHGGJFSA-N 319.449 1.760 10 10 DDCE CCOC(=O)c1n[nH]c([C@@H](C)NCc2ccc(N(C)C)cc2)n1 895235181 MKBDLQKDJNKAIT-LLVKDONJSA-N 317.393 1.898 10 10 DDCE CC(C)[C@H](CO)ONC(=O)c1cc2cc(O)c(O)cc2s1 897953421 VKKLSZWZZDOOKS-NSHDSACASA-N 311.359 1.991 10 10 DDCE O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)NCc1ccccc1O 896015005 GMWFFQBVKIOMPB-ZFWWWQNUSA-N 321.373 1.709 10 10 DDCE COC(=O)[C@H](C[C@H]1CCCO1)NCc1ccc2c(c1)CCO2 895861016 BAUKWUVJPFSXFD-CABCVRRESA-N 305.374 1.822 10 10 DDCE Oc1cccc(Br)c1CNCC[C@]1(O)CCOC1 706872928 VRAUEODFPQVMOO-ZDUSSCGKSA-N 316.195 1.786 10 10 DDCE COC[C@@](C)(CO)NCc1cccc(Br)c1O 716851134 GHKMZBRYFQGGOR-GFCCVEGCSA-N 304.184 1.642 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)C1=C[S@](=O)CCC1 1147888281 MSTKNZJKYMIDPR-JOCHJYFZSA-N 320.414 1.904 10 10 DDCE CN1CCN(NCc2ccc(Br)cc2O)CC1 691427256 OCNXXQJYAOUJMA-UHFFFAOYSA-N 300.200 1.407 10 10 DDCE COc1ccc(CNC(=O)NCc2ccnc(F)c2)c(O)c1 1253749099 OLMQOEFBKBZJJK-UHFFFAOYSA-N 305.309 1.934 10 10 DDCE COc1cc([C@H]2CN(C(=O)OC(C)(C)C)CCN2)cc(O)c1O 1535973503 CDYCFNOKFQLPGS-LLVKDONJSA-N 324.377 1.988 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)C2(C)CC2)cc1C 1716088019 TWUIZTPJGUYSEM-CQSZACIVSA-N 306.406 1.370 10 10 DDCE C[C@@H]1CCCC[C@]12CC(=O)NN2C(=O)Cc1ccc(O)c(O)c1 1629316414 XOWXSXJGOJJVFN-DIFFPNOSSA-N 318.373 1.853 10 10 DDCE CN(C)C(=O)C1(NC(=O)Cc2ccc(O)c(O)c2)CCCCC1 1641002051 INPXVBGBZXPQDU-UHFFFAOYSA-N 320.389 1.548 10 10 DDCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)c2cnn[nH]2)cc1C 1733978771 MDUXBPMHTWVPKB-NEPJUHHUSA-N 317.393 1.418 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@H]1Cc2cc(F)ccc2O1 1651222992 VUCYATOALNQDIC-HNNXBMFYSA-N 303.289 1.857 10 10 DDCE O=C1/C(=C\c2ccccc2)SC(=S)N1CCOCCO 1858589486 UOAZYUFFDKWILZ-ZRDIBKRKSA-N 309.412 1.897 10 10 DDCE CN(C)CC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 1866207840 OWDUZNIIVFEUCP-INIZCTEOSA-N 315.421 1.253 10 10 DDCE Nc1ccc(OC[C@H](O)CN2CCC[C@@H](C3OCCO3)C2)cc1 2145858502 MLRUEUXFOSWDTB-UKRRQHHQSA-N 322.405 1.093 10 10 DDCE CCS(=O)(=O)[C@@H]1CSCCN1c1ccc(CN)c(F)c1 160487812 YRCJKIZRXHYZDA-CYBMUJFWSA-N 318.439 1.598 10 10 DDCE CN(C[C@@H](O)CCN)c1ccc(CNC(=O)OC(C)(C)C)cc1 1994415715 JHVOPLNEZMDDQW-HNNXBMFYSA-N 323.437 1.857 10 10 DDCE O=C(Nc1ncc(Br)cn1)c1ccc(O)c(O)c1 2040764639 GBRRXYUNLAYNMT-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE CNCc1ccc(N2CC([S@](C)=O)C2)c(C(F)(F)F)c1 2171952158 UTMNBCFCIIJTEA-FQEVSTJZSA-N 306.353 1.992 10 10 DDCE CNCc1ccc(N2CC([S@@](C)=O)C2)c(C(F)(F)F)c1 2171952159 UTMNBCFCIIJTEA-HXUWFJFHSA-N 306.353 1.992 10 10 DDCE C[C@@](O)(CNS(=O)(=O)Cc1ccc(N)cc1)C(F)(F)F 698679057 QHNLYCGTTIIKKS-SNVBAGLBSA-N 312.313 1.002 10 10 DDCE CN(C[C@@H]1OCC[C@H]1F)S(=O)(=O)Cc1ccc(N)cc1 2179095435 HSSQGPLATRKRHD-OLZOCXBDSA-N 302.371 1.157 10 10 DDCE C[C@H]1CN(c2c(F)cc([C@@H](C)O)cc2F)CCS1(=O)=O 2194511478 NCLJIIXPPYZNNI-DTWKUNHWSA-N 305.346 1.641 10 10 DDCE Oc1cccc(CNCCn2ncc(Br)n2)c1O 2059143882 LNXMOLDCQNJDDE-UHFFFAOYSA-N 313.155 1.242 10 10 DDCE C[C@H](NCc1ccc(Cl)cc1O)[C@@H]1CCS(=O)(=O)C1 2090125390 UVBIIXNGVZAZBX-GXSJLCMTSA-N 303.811 1.958 10 10 DDCE C[C@@H](N)c1ccc(N2CC(=O)N[C@H]3CC[C@H]32)cc1Br 2112059444 YBMHDUFTIZFIBG-OXHMUOHRSA-N 324.222 1.936 10 10 DDCE COc1ccc(Br)c(CN2C[C@H](C)[C@H](N)C2)c1O 2220452600 WSZWJYUGXBTFJC-GZMMTYOYSA-N 315.211 1.942 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H]3O)cc1Br 2258312458 ACAVQSOGFAJRCF-YABSGUDNSA-N 311.223 1.986 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H]2[C@H](O)CO)cc1Br 2258335241 BDLRDJBDSCJYAR-AQUOVQTQSA-N 315.211 1.401 10 10 DDCE CSc1ncc(CNC(=O)[C@H](N)C[C@@H]2CCCO2)s1 2269094282 HNZWBCFKJZPIJV-WCBMZHEXSA-N 301.437 1.378 10 10 DDCE COc1ncc(/C=C/C(=O)N2CCC(=O)Nc3ccccc32)cn1 492675004 HEHGGJMQCCLGHN-VOTSOKGWSA-N 324.340 1.874 10 10 DDCE CC(C)[C@H]1C(=O)NCCN1C(=O)C=Cc1ccc(O)c(O)c1 2308000683 LJTJBHLQCOEBCL-HNNXBMFYSA-N 304.346 1.094 10 10 DDCE COC(=O)C=Cc1ccc(N(C)CC2(CO)CC2)c([N+](=O)[O-])c1 2310631779 INIZJNAMUZVCIT-UHFFFAOYSA-N 320.345 1.990 10 10 DDCE OCC[C@@H](O)CCNCc1cc(Br)ccc1O 2306864282 BJHKUNMOVARBFE-NSHDSACASA-N 304.184 1.378 10 10 DDCE CCn1nc(Br)c(CN2CC[C@@H](N=[N+]=[N-])C2)n1 2306944861 IMFAISPBILTOCY-SSDOTTSWSA-N 300.164 1.945 10 10 DDCE CN1CCO[C@H](CNCc2cccc(Br)c2O)C1 105470938 LFHXNNALUWBJEL-LLVKDONJSA-N 315.211 1.575 10 10 DDCE Cc1cc(O)nc(SC[C@@H](O)COc2ccc(N)cc2)n1 51328360 OELFDSVPGGVDLB-NSHDSACASA-N 307.375 1.605 10 10 DDCE Nc1ccc(OCCNS(=O)(=O)Cc2ccccc2)cc1 38079607 PZOIOICZIMXESI-UHFFFAOYSA-N 306.387 1.767 10 10 DDCE C[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)O1 133224668 LMUWPEUHGNHOBF-LRDDRELGSA-N 322.380 1.846 10 10 DDCE COCCN1CCCN(Cc2cc(OC)ccc2O)CC1=O 191706082 DQPXNNGJDVDNFM-UHFFFAOYSA-N 308.378 1.082 10 10 DDCE C[C@H](N[C@H]1CCN(C)C1=O)c1ccc(N2CCOCC2)c(F)c1 90075415 BEFRXEDFNCGBCS-WFASDCNBSA-N 321.396 1.544 10 10 DDCE COc1ccc(N2CCN(C(=O)CNCCC(C)C)CC2)cc1 244359137 XVCRJOONOAFGSU-UHFFFAOYSA-N 319.449 1.980 10 10 DDCE O=C1Cc2c(C(=O)N3C[C@H](CO)Cc4ccccc43)ccnc2N1 615118771 FSTSFBIYFCUYEJ-LLVKDONJSA-N 323.352 1.388 10 10 DDCE CN1C(=O)N[C@@]2(CCC[C@@H]2CNCc2ccccc2O)C1=O 371084847 HRTGORCFJSXNFZ-MLGOLLRUSA-N 303.362 1.202 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 808538700 BXWIIKBCLKLBFH-UHFFFAOYSA-N 323.304 1.996 10 10 DDCE CCOC(=O)c1cnn2c(O)cc(CN3C[C@H](C)[C@@H]3C)nc12 293382448 JXVSUCVNHAPIRH-UWVGGRQHSA-N 304.350 1.452 10 10 DDCE C[C@H](Cn1cncn1)NCc1ccc(Br)cc1O 825150953 NQAZUUVZTLJOKO-SECBINFHSA-N 311.183 1.925 10 10 DDCE C[C@H]1OCC[C@H]1N(CCO)Cc1ccc(N2CCOCC2)cc1 825129859 GWFISROEXQFLQC-CRAIPNDOSA-N 320.433 1.495 10 10 DDCE CCN(CCC(N)=O)C(=O)NCc1ccc(N(C)C)c(F)c1 915365415 DRECUUVGGRSRPA-UHFFFAOYSA-N 310.373 1.299 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccnn1C1CCOCC1 910944159 SKQMKBSWZHIGCX-UHFFFAOYSA-N 317.345 1.576 10 10 DDCE C[C@@H]1CCCCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1 846254054 CAZHQDFMPGUDMM-SNVBAGLBSA-N 304.350 1.755 10 10 DDCE CCC[C@H]1NC(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O 849356140 CULOBAPGDOZAEB-UKRRQHHQSA-N 317.389 1.994 10 10 DDCE CCO[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1O)CN(C)C 926961482 PFBAMEOMSIWLRT-DGCLKSJQSA-N 311.382 1.918 10 10 DDCE O=C(NCc1ccccc1O)c1cc(C2CCNCC2)no1 852798514 MRZAQHXIUCSDPG-UHFFFAOYSA-N 301.346 1.777 10 10 DDCE COC(=O)[C@@](C)(CCF)NC(=O)/C=C/c1ccc(O)c(O)c1 855909476 DJZJWXKMPZTHCE-CSPWOOARSA-N 311.309 1.519 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCCCN3)C2)cc1 1118571808 JCOGJVSYGVUFTQ-PBHICJAKSA-N 317.433 1.922 10 10 DDCE COCc1cc(NC(=O)NCc2cc(OC)ccc2O)ncn1 772391305 WQMCUVAEEOWDIO-UHFFFAOYSA-N 318.333 1.659 10 10 DDCE COc1ccc(O)c(CNC(=O)CC(C)(C)COC(C)=O)c1 777803478 ZQZTWSJBVJHXIA-UHFFFAOYSA-N 309.362 1.996 10 10 DDCE COC(=O)[C@@]1(O)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 895701511 AEBCFAHTRDGSPL-LAQIPUCWSA-N 304.390 1.376 10 10 DDCE Cn1cnnc1N1CCN(Cc2cc(F)cc(F)c2O)CC1 895187057 ISSXVTCFXOSIIZ-UHFFFAOYSA-N 309.320 1.121 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1c[nH]nc1-c1ccccn1 1142533886 VDVAFBQRDBYZSF-UHFFFAOYSA-N 310.313 1.813 10 10 DDCE NC(=O)c1cc(NCCc2ccc(O)c(O)c2)nc(Cl)n1 1162686097 NBLMEZNZSSZRJF-UHFFFAOYSA-N 308.725 1.295 10 10 DDCE Oc1ncc(NCc2ccc(N3CCOCC3)c(F)c2)c(O)n1 1317886972 RNYAAFJAKIDGGV-UHFFFAOYSA-N 320.324 1.476 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cccc(N)n3)C2)cc1 1328442380 HENZMDQJCTZEPM-LBPRGKRZSA-N 312.373 1.681 10 10 DDCE CCC(CC)N1C[C@@H](C(=O)NCc2cccc(O)c2O)CC1=O 1347531007 OCFQRGXLNVGPGM-LBPRGKRZSA-N 320.389 1.751 10 10 DDCE NC(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)nc1Cl 1469159650 LKAQENPANIIESI-UHFFFAOYSA-N 321.720 1.175 10 10 DDCE CN(CCNC(=O)Cc1ccc(O)c(O)c1)CC(F)(F)F 1628776896 QIDKCADYEGESCM-UHFFFAOYSA-N 306.284 1.251 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC2(C(N)=O)CCCCC2)cc1 1626141026 KFIJLFFZNNEXLR-UHFFFAOYSA-N 317.349 1.767 10 10 DDCE COC(=O)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C 1634205678 UMNWSSFLSRTIIH-CABZTGNLSA-N 318.333 1.873 10 10 DDCE Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1c(O)cccc1F 1645048166 JHECOUWPQGZBED-UHFFFAOYSA-N 322.296 1.651 10 10 DDCE CC(C)C[C@@H](C(N)=O)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1650886141 ITIIQAAGSHQDEC-LBPRGKRZSA-N 319.365 1.821 10 10 DDCE COc1cccc(CNC(=O)c2ccc(Cl)nc2N)c1O 1595800288 RYRBMBQHACNFBR-UHFFFAOYSA-N 307.737 1.961 10 10 DDCE O=C(NCc1nc2ncccn2n1)N1Cc2cccc(O)c2C1 1682097800 VSUSYAPKKBOQIK-UHFFFAOYSA-N 310.317 1.055 10 10 DDCE Nc1ccc(OCC(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1 1860083267 JYEHJRYBAFMHIE-NSHDSACASA-N 320.374 1.989 10 10 DDCE CS(=O)(=O)C[C@@H]1CN(c2ccc(CO)c(Cl)c2)CCO1 2143672302 ZXZSPLFDDCAKKT-LBPRGKRZSA-N 319.810 1.082 10 10 DDCE O=S1(=O)CC[C@@]2(CCCN2c2ccc(CO)c(Cl)c2)C1 2158454999 RFJNKZQIYFQHGD-AWEZNQCLSA-N 315.822 1.990 10 10 DDCE NCc1ccc(N2CCOC[C@H](CO)C2)c(Br)c1 2036939431 QKTWSQISOPLORL-NSHDSACASA-N 315.211 1.353 10 10 DDCE CCCn1ccc(CNC(=O)c2cnn3c(O)cc(C)nc23)c1 2064993322 FICSVSWTSIXXLI-UHFFFAOYSA-N 313.361 1.885 10 10 DDCE COC1(CNC(=O)c2cnn3c(O)cc(C)nc23)CCCCC1 2065035842 KEFRVPHLHZQWJE-UHFFFAOYSA-N 318.377 1.822 10 10 DDCE NCc1ccc(N2CC(=O)N3CCC[C@@H]3C2)cc1Br 2102008310 VLWCJMIITMOVAO-GFCCVEGCSA-N 324.222 1.719 10 10 DDCE C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1ccc(CN)c(Cl)c1 2113894824 PSXASTPAKZDHPZ-VHSXEESVSA-N 302.827 1.811 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1CCC[C@H](O)[C@H]1O 2212869292 UQVFCRNUMMZOBF-SCVCMEIPSA-N 301.184 1.718 10 10 DDCE CN[C@H]1CC[C@H]1CS(=O)(=O)NCc1cnc(SC)s1 2269097336 CJTYNZARBOMSQY-WPRPVWTQSA-N 321.493 1.282 10 10 DDCE O=C1Nc2cc(N3C[C@H](O)C[C@@H](F)C3)c(Cl)cc2[C@@H]1O 2234679403 MANZXRBXRGJNBJ-QHMRUWFYSA-N 300.717 1.235 10 10 DDCE O=S(=O)(CCCNCc1ccc(F)c(F)c1O)C(F)F 2237641267 ZWRJSBXIPFQWSF-UHFFFAOYSA-N 315.288 1.788 10 10 DDCE CNCc1ccc(N2CC[C@H]2[C@@H](O)CO)cc1Br 2258327056 AEONWYRGYLNSIE-STQMWFEESA-N 315.211 1.100 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](C(=O)O)C(C)C)s1 2269092696 JWMZTWSLGQDYPA-QMMMGPOBSA-N 303.409 1.773 10 10 DDCE CSc1ncc(CNC(=O)NC2(C(=O)O)CCC2)s1 2269091863 AXCUHLYVDKGEJC-UHFFFAOYSA-N 301.393 1.672 10 10 DDCE CSc1ncc(CNC(=O)C23CCOC(CN)(C2)C3)s1 2284680980 CRJYOAMIPAJKLQ-UHFFFAOYSA-N 313.448 1.379 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CCc3nn[nH]c3C2)s1 2284714481 TUYQCXNQIFXNJO-SSDOTTSWSA-N 309.420 1.404 10 10 DDCE CCN[C@@](CSc1nccs1)(C(N)=O)[C@H]1CC1(F)F 2352307407 YZQFJRPKLFYYJD-GMSGAONNSA-N 307.391 1.724 10 10 DDCE CNC(=O)[C@H]1CCCN1Cc1cc(Br)ccc1O 133602503 YAELKYXAESGSHR-LLVKDONJSA-N 313.195 1.865 10 10 DDCE COC(=O)[C@H](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 177697817 WOCRDEFUMZNNJH-CYBMUJFWSA-N 320.389 1.543 10 10 DDCE CCN1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 301620049 MFZNPOBBSRJFNS-UHFFFAOYSA-N 320.349 1.458 10 10 DDCE NC(=O)c1cncc(NCc2ccc(N3CCOCC3)cc2)n1 301453058 UZFJGDYECREBLT-UHFFFAOYSA-N 313.361 1.024 10 10 DDCE COc1ccc2c(c1)NC1(CCNCC1)CN2CCOCCN 75280991 KNRDFRBRLWIIBH-UHFFFAOYSA-N 320.437 1.025 10 10 DDCE COCC[C@H](COC)NCc1ccc(N2CCOCC2)cc1 319646184 CQIMRQFWINPHPT-MRXNPFEDSA-N 308.422 1.664 10 10 DDCE COC(=O)CN(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 255405685 XJBWQJDNYIDFFC-YVMONPNESA-N 318.373 1.168 10 10 DDCE CC(=O)C(=O)COC(=O)c1nnn(-c2ccccc2Cl)c1C 808514770 SLTLJKRCVJOMLP-UHFFFAOYSA-N 321.720 1.544 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc2c(c1)nc(C(F)F)n2C 808548747 QKEFLXAWHFQOQO-UHFFFAOYSA-N 310.256 1.826 10 10 DDCE COc1ccc(Cn2cc(C(=O)OCC(=O)C(C)=O)cn2)cc1 808516211 DTMCYVHXCZRAQO-UHFFFAOYSA-N 316.313 1.255 10 10 DDCE CC(C)NC(=O)c1c(-c2cncnc2)cc(=O)n2c1CCCC2 575317523 WSFROMAMZFUATF-UHFFFAOYSA-N 312.373 1.780 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H](C)CO1 911311622 UKZGPBLMBZVKCK-SWLSCSKDSA-N 321.373 1.709 10 10 DDCE Cc1cc(O)c(CN2CC[C@H](S(C)(=O)=O)C2)c(Cl)c1 840943265 ZQZCVUCCTPRLNI-JTQLQIEISA-N 303.811 1.973 10 10 DDCE COC(=O)[C@H]1CSCCN(Cc2cccc(OC)c2O)C1 840976513 FZOLHBYDCXURQW-GFCCVEGCSA-N 311.403 1.739 10 10 DDCE O[C@@H]1C[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)CCN2C1 848925726 DYZYJEGOXRKAFC-RBUKOAKNSA-N 315.461 1.928 10 10 DDCE C[C@H](O)[C@H]1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CCO1 844210454 YDMDNDHJXBSLHK-XGLCWEIGSA-N 322.317 1.279 10 10 DDCE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCc2ccccc2O)CC1=O 750639911 XVWNIIQJJRAWCG-RTXFEEFZSA-N 303.362 1.201 10 10 DDCE COc1cccc(O)c1CN[C@@H](C)CN(C)CCCN(C)C 850353613 ILKJRKXFXDDLPV-AWEZNQCLSA-N 309.454 1.762 10 10 DDCE COc1ccc(N2CCCN(C[C@H](O)C3(O)CCC3)CC2)cc1 929315468 KRLBZPDJUYKZQM-KRWDZBQOSA-N 320.433 1.483 10 10 DDCE COc1ccc(N(C)CCN(C)C[C@@H]2C[C@H]3COC[C@H]3O2)cc1 930853626 WBSORLTXSOXQIH-JCGIZDLHSA-N 320.433 1.867 10 10 DDCE CN(C)c1ccc(CNC[C@H](O)CC2(O)CCOCC2)cc1 872197546 NZCIHSYJVCMKFW-MRXNPFEDSA-N 308.422 1.135 10 10 DDCE C[C@H](NC[C@H](O)CN1CCCC1=O)c1ccc(N(C)C)cc1 772949522 BIBZKZGUDCEVKL-BBRMVZONSA-N 305.422 1.387 10 10 DDCE CC[S@@](=O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 896284498 DVAPEEXBGQKEOT-HXUWFJFHSA-N 313.400 1.811 10 10 DDCE CN1CCN(c2ccc(CNC3(CC(N)=O)CCC3)cc2)CC1 789552329 DEGHRPMGZQAGQV-UHFFFAOYSA-N 316.449 1.326 10 10 DDCE O=C1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1138159703 GGYBQJFNGWRTSC-QWHCGFSZSA-N 319.357 1.237 10 10 DDCE CNC(=O)[C@@H]1CCN(Cc2c(O)cccc2Br)C1 707142188 IXDXNMSXFAEECW-SECBINFHSA-N 313.195 1.723 10 10 DDCE O=S1(=O)C[C@H]2C(CNCc3c(O)cccc3Cl)[C@@H]2C1 2117987412 ICLGZZVBHAZVGY-QWRGUYRKSA-N 301.795 1.426 10 10 DDCE CCOC(=O)/C=C(/N)N1CCN(c2ccc(OC)cc2)CC1 168257 RMMLIXYKKFZIQE-QINSGFPZSA-N 305.378 1.180 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc3[nH]nnc23)c1 1294936554 HBTGXHYIHOGOGD-MRVPVSSYSA-N 313.317 1.558 10 10 DDCE CN(Cc1ccccc1O)C[C@H](O)CN(C)CC(F)(F)F 1459691507 XCEAWUGQYPSGTB-LBPRGKRZSA-N 306.328 1.679 10 10 DDCE CCCN(C(=O)c1cccc(O)c1O)[C@@H]1CCS(=O)(=O)C1 1290604801 UOAARPQGWQBBBS-SNVBAGLBSA-N 313.375 1.137 10 10 DDCE COC(=O)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 1463700388 AWYQLQJFJLYCIV-UHFFFAOYSA-N 318.333 1.874 10 10 DDCE CC(C)(C)OC(=O)N1CCN[C@@H](c2c(O)cc(O)cc2O)C1 1535988011 ROMVMWFEZNOFMR-SNVBAGLBSA-N 310.350 1.685 10 10 DDCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)c1ncc[nH]1 1482925510 XWRRWWAMLGHPEU-UHFFFAOYSA-N 316.405 1.979 10 10 DDCE CNC(=O)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 1623699729 NFHFLYCHAMJZRF-UHFFFAOYSA-N 317.349 1.447 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cccc2nc(O)[nH]c12 1636022352 KBNBQDLUUAOFKV-UHFFFAOYSA-N 313.313 1.652 10 10 DDCE Cc1c[nH]c(CC(N)=O)c1C(=O)NCc1cccc(Cl)c1O 1648608364 DSXBMKVQHYHDIJ-UHFFFAOYSA-N 321.764 1.640 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)Cc1ccc(N)cc1 1959370232 DVJRTLSIZZSDQA-QWHCGFSZSA-N 305.378 1.593 10 10 DDCE CNCc1ccc(N2CCCS(=O)(=O)CC2)cc1Cl 234435813 BQXXRBZASDOBOR-UHFFFAOYSA-N 302.827 1.684 10 10 DDCE CS(=O)(=O)C[C@H]1CN(Cc2cccc(Cl)c2O)CCO1 897596598 XMWRHKVMVVOQKA-LLVKDONJSA-N 319.810 1.291 10 10 DDCE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCCCN=[N+]=[N-] 1885562555 HNDPJGCPWNRUJP-BDAKNGLRSA-N 301.347 1.077 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1CCN1C(=O)c1cccc(O)c1O 1963701850 WSSWMLMQFLIHGV-JTQLQIEISA-N 322.361 1.837 10 10 DDCE Cn1cc(CCNCc2cc(Br)ccc2O)nn1 1967723321 JVSWXVKRLFWVPD-UHFFFAOYSA-N 311.183 1.616 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(O)c(O)c2)C1 1982314725 RRTIFJGQGATTEI-PHIMTYICSA-N 322.361 1.883 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)N2CC(N=[N+]=[N-])C2)C1 1985094217 LTRQOQOMKHFKKS-SNVBAGLBSA-N 324.385 1.107 10 10 DDCE CNCc1ccc(OCCCS(=O)(=O)N(C)C)c(C)c1 2155012478 HWSKQPMXUYRGLA-UHFFFAOYSA-N 300.424 1.375 10 10 DDCE Oc1cc(Br)ccc1CN[C@@H]1CO[C@H]2COC[C@H]12 2040332517 BOTFXMNCOKXUFA-WZRBSPASSA-N 314.179 1.658 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)N1CCC[C@@H](CO)C1 2157788263 PBTCYYZFFYMFAV-SECBINFHSA-N 320.798 1.407 10 10 DDCE Oc1cc2c(cc1CNC1CCC3(CC1)OCCO3)OCO2 715702755 VYVUDWYEBKRFRV-UHFFFAOYSA-N 307.346 1.896 10 10 DDCE CNCc1ccc(N2CC(O)(COC)C2)c(Br)c1 384020242 YLTCXQUIPMSEEB-UHFFFAOYSA-N 315.211 1.366 10 10 DDCE CO[C@@]1(CNCc2cccc(Cl)c2O)CCS(=O)(=O)C1 721268026 QQRJJLPOUCCJAP-CYBMUJFWSA-N 319.810 1.339 10 10 DDCE C[C@H]1NC(=O)CC[C@H]1NCc1cc(Br)ccc1O 392968109 SZFRWNSNPRUXQL-LDYMZIIASA-N 313.195 1.911 10 10 DDCE CC1(C)C[C@H](S(C)(=O)=O)CN1Cc1cccc(F)c1O 2179902790 RXPFWNGHVOEUEY-NSHDSACASA-N 301.383 1.929 10 10 DDCE CC1(C)C[C@@H](S(C)(=O)=O)CN1c1ccc(CN)c(F)c1 2179919811 LOOULLCPFSPICJ-GFCCVEGCSA-N 300.399 1.686 10 10 DDCE Oc1ccnc(CNCc2ccc(Br)cc2O)n1 2044802985 ZUTARYBVEZDSSK-UHFFFAOYSA-N 310.151 1.940 10 10 DDCE O=C(O)C1(F)CN(Cc2cc(Br)cc(F)c2O)C1 2058118052 VOEISLAOIJTPMA-UHFFFAOYSA-N 322.105 1.902 10 10 DDCE CN(Cc1ncn(C)n1)c1ccc(CN)c(Br)c1 2058109708 SPKCFJSZPOGOPF-UHFFFAOYSA-N 310.199 1.673 10 10 DDCE Cc1c([C@H](NCCN=[N+]=[N-])C(=O)O)c(Br)nn1C 2067822906 CVEZHADZRMNTJX-ZETCQYMHSA-N 317.147 1.517 10 10 DDCE NCc1ccc(N2CCn3ncc(O)c3C2)c(Br)c1 2112054067 HTPAKPZTHHSPEW-UHFFFAOYSA-N 323.194 1.830 10 10 DDCE CNCc1ccc(N2CC(=O)N[C@@H]3CC[C@H]32)cc1Br 2112061855 NNEQUCTZURDAHE-CHWSQXEVSA-N 324.222 1.636 10 10 DDCE C[C@H]1CC[C@@H](CNS(=O)(=O)Cc2ccc(N)cc2)S1 2095323989 NPPWBFSCPGGYLQ-GWCFXTLKSA-N 300.449 1.972 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@]23CCC[C@@H]2CSC3)cc1 2201967134 PMYURELUGBLSJF-OCCSQVGLSA-N 312.460 1.974 10 10 DDCE C[C@@H]1CC[C@H](S(C)(=O)=O)CN1Cc1cccc(F)c1O 2279354235 PMDSGGQUIWJVAE-PWSUYJOCSA-N 301.383 1.929 10 10 DDCE COC(=O)C1CC(NC(=O)NCc2cnc(SC)s2)C1 2284498162 IHAGDLAEAJJVEY-UHFFFAOYSA-N 315.420 1.616 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H]3C[C@]2(C(=O)O)C3)s1 2284543471 FXKAGDOMKOLIBX-OGXFKERWSA-N 313.404 1.624 10 10 DDCE Cc1cc(N2CCSC[C@H]2S(C)(=O)=O)ccc1[C@@H](C)N 2285146143 MCRVUXLIJVKYAU-BXUZGUMPSA-N 314.476 1.939 10 10 DDCE COc1cc(OC)c(N2C[C@@H](OC)C[C@H]2CO)cc1Cl 2285852986 DPNDQPGKWPHMNC-UWVGGRQHSA-N 301.770 1.943 10 10 DDCE CCn1c(C)cc(C=C2NC(=O)N(CC(=O)OC)C2=O)c1C 2297620170 UMKSPMLFAUUULU-UHFFFAOYSA-N 305.334 1.191 10 10 DDCE Cc1cc(CNCC(C)C)ccc1N1CCS(=O)(=O)CC1 62736119 YUCITARYRJLTQM-UHFFFAOYSA-N 310.463 1.975 10 10 DDCE Cc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCCC2)c(O)c1O 177683087 ASRWIWZGGQHRHO-NSHDSACASA-N 306.362 1.537 10 10 DDCE Cc1nn(C(=O)[C@H](C)Cc2ccc(O)c(O)c2)c(C)c1CN 170033469 IJNUADVMELJNDC-SECBINFHSA-N 303.362 1.889 10 10 DDCE O=C(C[C@H]1CCNC1)NCc1ccc(N2CCOCC2)c(F)c1 129744403 UFBPOMZWSVUUPT-CQSZACIVSA-N 321.396 1.278 10 10 DDCE CCCCNC(=O)Cc1noc(-c2ccc(C)c(O)c2O)n1 189929023 OYCKHNIHSJTNPU-UHFFFAOYSA-N 305.334 1.915 10 10 DDCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)C2)cc1Br 233548367 KLVQMGJYBDDJHR-STQMWFEESA-N 315.211 1.100 10 10 DDCE COc1ccc(CN2CCN(C[C@H]3CCOC3)CC2)c(O)c1 93818055 QREUPMDVJVTDMW-CQSZACIVSA-N 306.406 1.555 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCC[C@H]2CO)c([N+](=O)[O-])c1 264901977 IFPBGWBGJQPKJY-HWPRWLFBSA-N 306.318 1.742 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC(F)(F)C[C@H]2CO)c1O 365823527 LYBWVJWLBZKYGZ-VIFPVBQESA-N 318.276 1.511 10 10 DDCE CC(=O)C(=O)COC(=O)c1csc(-c2ccc(C)n2C)n1 808531838 YRHGXMJWXPLTED-UHFFFAOYSA-N 306.343 1.772 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccnc1OCC(F)(F)F 808501088 HAWBEPGLMDBQHU-UHFFFAOYSA-N 305.208 1.338 10 10 DDCE Cc1ccc(O)c(CN[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 800308997 APSSTKXVXFFEMR-TZMCWYRMSA-N 312.435 1.508 10 10 DDCE COc1ccc(CNC(=O)Nc2nnc(OC)s2)c(O)c1 801749422 XQADOHTXKSPPLU-UHFFFAOYSA-N 310.335 1.583 10 10 DDCE C/C=C/[C@H](O)C(=O)NCc1ccc(N2CCSCC2)cc1 900255526 ZZZUQJUDPXMJTE-FAAWYNLUSA-N 306.431 1.793 10 10 DDCE COC[C@H]1C(=O)N[C@H](c2cccc(Br)c2O)N1C 840827916 CSUBSJXUPNEQOS-ONGXEEELSA-N 315.167 1.230 10 10 DDCE CCN(C)c1ccc(CN2CCN(c3nncn3C)CC2)cc1 847034433 CAPAVGUOZSXHLJ-UHFFFAOYSA-N 314.437 1.593 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@H]4CC[C@H]3O4)C2)cc1 855232668 WPMQEWHMAKYVAM-NKKGCODLSA-N 316.401 1.958 10 10 DDCE C[C@H](NS(=O)(=O)N1CCOC(C)(C)C1)c1ccccc1O 867834347 MOXFWOTXQJGLTP-NSHDSACASA-N 314.407 1.398 10 10 DDCE COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3OC)CC2)cc1 930309818 NOASQTLDJOYVSS-HZPDHXFCSA-N 304.390 1.769 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)COB2O 863869099 HZDFNKWESCHFKF-UHFFFAOYSA-N 324.189 1.243 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1ccc(Br)cc1F 1118402445 AGAAOXLWXSOGNB-UHFFFAOYSA-N 317.110 1.832 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCCCO2)c1 788570354 JOKABUJDHTZJDU-UHFFFAOYSA-N 314.363 1.321 10 10 DDCE COC(=O)COc1ccc(N(C)C/C=C(/C)C(=O)OC)cc1 784561410 RCNKHQKLARUIKU-XFXZXTDPSA-N 307.346 1.794 10 10 DDCE COC(=O)[C@H]1[C@@H](CNCc2cccc(OC)c2O)C1(F)F 894766891 WSHZRFWRNVIKMB-MWLCHTKSSA-N 301.289 1.545 10 10 DDCE O=C(Nc1cnn(-c2ncccn2)c1)c1c(F)ccc(O)c1O 789982700 BCOAYIJWPRSMFR-UHFFFAOYSA-N 315.264 1.465 10 10 DDCE COC(=O)[C@H](C[C@H]1CCCO1)NCc1cccc(OC)c1O 895865081 RMMQVFLHFQTECS-OLZOCXBDSA-N 309.362 1.601 10 10 DDCE NCc1ccc(N2CC[C@H](CC(N)=O)C2)cc1Br 690765284 XERITRHJVJDBIR-SECBINFHSA-N 312.211 1.610 10 10 DDCE CCOC(=O)C[C@H](O)C(=O)NCc1ccc(N(CC)CC)cc1 1441712790 KTOWJWLCHDZBKD-HNNXBMFYSA-N 322.405 1.463 10 10 DDCE CN(c1cc2c(cc1Br)[C@H](N)C(=O)N2)C1COC1 1915668916 YWXRXSWRUVYWMA-NSHDSACASA-N 312.167 1.236 10 10 DDCE CC(=O)N1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 1465799249 ZVKSHTOHAVGGTD-SNVBAGLBSA-N 317.349 1.542 10 10 DDCE C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ncn(C)n1 1616576349 ZSWRYLSFZRTGSX-ZETCQYMHSA-N 318.358 1.932 10 10 DDCE COc1ccc(CNC[C@H](C)CNC(=O)c2ncc[nH]2)cc1C 1482098875 IXDMULOJHJWGKB-LBPRGKRZSA-N 316.405 1.882 10 10 DDCE COc1ccc(CNCC[C@H](C)NC(=O)c2nc[nH]n2)cc1C 1716183293 ZDIVYAVJZFAFRP-LBPRGKRZSA-N 317.393 1.420 10 10 DDCE CCn1ccnc1CNC(=O)c1ccc(N=NC(N)=O)cc1 1628622958 JHNOKFPFDGVOPI-UHFFFAOYSA-N 300.322 1.995 10 10 DDCE COCC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccnc1 1637151322 CFENYZWLHPZWLE-CQSZACIVSA-N 316.357 1.929 10 10 DDCE O=C(Cc1nc[nH]n1)NCc1cc(Cl)cc(Cl)c1O 1638305765 OPUVXVLYZNYKFC-UHFFFAOYSA-N 301.133 1.676 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc(Cn2cccn2)o1 1643101148 WQTUGODQGKDOPP-UHFFFAOYSA-N 313.313 1.866 10 10 DDCE COc1cn(C)nc1[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 1647663337 NHIOLDGHQLXDTL-BXKUYDPTSA-N 317.345 1.731 10 10 DDCE O=C(CCNC(=O)c1cccs1)NCc1c(O)cccc1O 1647177472 AKYRNWZHJJLIRA-UHFFFAOYSA-N 320.370 1.596 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@@H]1CC(c2cccnc2)=NO1 1597575008 XEAHDBQTVSSSBS-HNNXBMFYSA-N 313.313 1.302 10 10 DDCE C[C@@H](NCc1ccc(F)cc1O)C1CCS(=O)(=O)CC1 1962967907 QKEOLIYUKZJKSW-SNVBAGLBSA-N 301.383 1.834 10 10 DDCE C[C@H](ONC(=O)OC(C)(C)C)C(=O)N(C)CCCN=[N+]=[N-] 1885557680 SKHYKRZCEHUCSR-VIFPVBQESA-N 301.347 1.990 10 10 DDCE CN(CC1(Br)CC1)C(=O)c1cc(O)nc(O)c1 2020198346 LSBHNFRZOWQNPZ-UHFFFAOYSA-N 301.140 1.492 10 10 DDCE Cn1nc(Br)cc1[C@@H](O)[C@H](N)c1ccccc1O 2031152177 CBKIQZQGQABVHZ-VXGBXAGGSA-N 312.167 1.622 10 10 DDCE Cc1cc(O)ccc1NS(=O)(=O)N1CCCC[C@@H]1CO 2157762884 BHXSAVYGKCUXSX-LLVKDONJSA-N 300.380 1.204 10 10 DDCE CCCN(CC(N)=O)c1ccc(CN)cc1Br 310430816 QDPGBZPGYUTDLW-UHFFFAOYSA-N 300.200 1.610 10 10 DDCE C[C@@H](N)c1ccc(N(C)[C@@H]2COC[C@H]2O)cc1Br 709221561 ILROTSOYHSEFRL-BZHVJNSISA-N 315.211 1.665 10 10 DDCE CC[C@@](C)(NCc1c(O)cccc1Br)C(N)=O 706855838 XCNWGFFSUZANSC-GFCCVEGCSA-N 301.184 1.898 10 10 DDCE CN1CCN(c2ccc(CO)cc2Br)[C@@H](CO)C1 699542654 GBZKNNHBNDSDNP-LLVKDONJSA-N 315.211 1.054 10 10 DDCE CN1C[C@@H](CNCc2cccc(Br)c2O)CC1=O 723598731 CTNWCYPAGAYTNL-SECBINFHSA-N 313.195 1.723 10 10 DDCE O=C(NCc1c(O)cc(O)cc1O)c1ccn2c1CCCC2 2064043999 BYWSRFQVPMFOAV-UHFFFAOYSA-N 302.330 1.871 10 10 DDCE COc1ccc(Br)c(CN(C)[C@H]2CCNC2)c1O 2220452204 VNBBNLFFERDCRT-VIFPVBQESA-N 315.211 1.957 10 10 DDCE CC[C@@H](N)Cc1cnc(Sc2nnnn2CC(F)F)s1 2234017360 YWGBAXLJBFXURB-ZCFIWIBFSA-N 320.394 1.826 10 10 DDCE CSc1ncc(CNC(=O)N[C@H]2[C@@H](C(=O)O)C2(C)C)s1 2284509779 XRYJJPICZANXCQ-YUMQZZPRSA-N 315.420 1.773 10 10 DDCE Cc1cccc(N(CCC(N)=O)C(=O)/C=C\c2cnccn2)c1 491350544 KGKXJCCXVOESGR-WAYWQWQTSA-N 310.357 1.707 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)NC[C@@H]1CCCN1 2301657338 XHKAJKMGRGQVHN-INIZCTEOSA-N 315.417 1.405 10 10 DDCE N[C@H](CO)c1cc(Br)c(Br)cc1O 72199845 VCCUCJZLKPDRAW-SSDOTTSWSA-N 310.973 1.909 10 10 DDCE COC[C@@H](O)CN1CCC(N[C@@H](C)c2cc(C)ccc2O)CC1 186194455 YXEWILHSMXYQQH-HOCLYGCPSA-N 322.449 1.823 10 10 DDCE COc1cc2c(c(OC)c1OC)CN(CCCN)CCN2C 527432078 PIDJHVFFFAPSIT-UHFFFAOYSA-N 309.410 1.313 10 10 DDCE C[C@@H]1O[C@H](C)[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)[C@H]1C 530209516 JYQSCGOORYNDJQ-PVTKRXDGSA-N 318.373 1.968 10 10 DDCE COC[C@@H](O)[C@H](N)c1ccc(Cl)c(Br)c1O 713855869 HBQZQNSPYGGXLW-VXNVDRBHSA-N 310.575 1.815 10 10 DDCE COc1cc(O)c(CNC[C@H](OC)[C@@H]2CCOC2)cc1OC 826822275 OZHWOERTOWERFH-BZNIZROVSA-N 311.378 1.551 10 10 DDCE Cn1cnc(CCNCc2ccc(N3CCOCC3)c(F)c2)c1 839150594 ZSUASRAUKXYEIZ-UHFFFAOYSA-N 318.396 1.728 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cc3c(nc2O)CCOC3)c1 913000938 ZZLYBNMUFUBYKX-UHFFFAOYSA-N 314.341 1.804 10 10 DDCE CN(C)c1ccc(CN2C[C@H]3COCC[C@]3(C(=O)O)C2)cc1 846281817 JJJGHVVOFBEFGI-YOEHRIQHSA-N 304.390 1.676 10 10 DDCE COCCCN1C(=O)CC[C@@H](N)[C@@H]1c1ccc(N(C)C)cc1 62213823 CQCFKAGOGADFGW-WBVHZDCISA-N 305.422 1.780 10 10 DDCE CCOC(=O)[C@@H]1C[C@@]1(N)c1cc(Br)ccc1O 1952775668 QJMJEVLBPDUSRA-JOYOIKCWSA-N 300.152 1.892 10 10 DDCE CN(C)c1ccc(CNC(=O)NC[C@]2(O)C[C@H]3C=C[C@H]2C3)cc1 853245438 ZHSZOXHWFZAGNR-RLFYNMQTSA-N 315.417 1.879 10 10 DDCE C[C@@H]1C[C@@H](NC[C@H](O)CS(C)(=O)=O)c2c(O)ccc(F)c21 927022579 FRBFIUCEGURXIV-WCABBAIRSA-N 317.382 1.075 10 10 DDCE Cc1ccc(C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)c(O)c1O 928089891 LWRLWXPGIZHBNI-OLZOCXBDSA-N 322.430 1.716 10 10 DDCE C[C@]1(C(F)F)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 853634873 QVKCRJOTWBNCID-SWLSCSKDSA-N 315.316 1.674 10 10 DDCE CC[C@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H](C)O 857302633 XDRGTIAPDAVMTH-XEZPLFJOSA-N 306.406 1.797 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@@H]3CCOC3)C2)cc1 854300872 CHCSPPYZFIJLBJ-UKRRQHHQSA-N 319.405 1.704 10 10 DDCE C[C@@](CO)(NCc1cc2c(cc1O)OCO2)c1cccc(O)c1 862432463 FACXRRDVCGSNRU-KRWDZBQOSA-N 317.341 1.824 10 10 DDCE COC[C@@]1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1 863833390 TVURIYVVLXIOEE-DQOPKJQZSA-N 307.346 1.375 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCN[C@H]3C)C2)cc1 861703894 WJEFPLWCJTZOGE-HEHGZKQESA-N 318.421 1.324 10 10 DDCE CN(C)S(=O)(=O)C1(CNCc2cc(F)ccc2O)CC1 895811458 DXLWYVPKSSAUIP-UHFFFAOYSA-N 302.371 1.045 10 10 DDCE CN(C[C@H]1CCCS1(=O)=O)c1ccc(CO)cc1Cl 694116229 IRYKZPPWGWHRAA-LLVKDONJSA-N 303.811 1.846 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc(-n2ccnn2)cc1 1156881023 LZGOTBZVMLAEEO-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cn(-c2ccccc2)nn1 1304050411 MDBABNHLMSEVBB-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE COc1cccc([S@@](=O)CC(=O)NCc2ccccc2O)c1 1150536911 SXTSYIRGZSYYMS-QFIPXVFZSA-N 319.382 1.825 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(CO)(CO)C1 1303467315 WLWXITHJQJMSBZ-UHFFFAOYSA-N 320.414 1.582 10 10 DDCE O=C(Cc1cn2c(n1)CCCC2)NCc1c(O)cccc1O 1178917213 MBHSCHSRLYLAFX-UHFFFAOYSA-N 301.346 1.490 10 10 DDCE CCS(=O)(=O)[C@H]1CCN(c2ccc(CO)c(Cl)c2)C1 2123309602 UOOXTCIJEDJDIC-LBPRGKRZSA-N 303.811 1.846 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H]3CN(C)C[C@@H]32)c1 1521372703 JCYWBQUALDWYRQ-AEGPPILISA-N 303.406 1.840 10 10 DDCE O=C(CNC(=O)NCc1ccco1)NCc1c(O)cccc1F 1456029191 KNLUNQLWCUTCET-UHFFFAOYSA-N 321.308 1.240 10 10 DDCE CCC(=O)N1CCC[C@](CO)(NCc2ccc(OC)c(C)c2)C1 1700229144 IICFAZNHYJNWRH-SFHVURJKSA-N 320.433 1.857 10 10 DDCE C[S@](=O)c1ccc(CC(=O)NCc2c(O)cccc2O)cc1 1472063184 GHUXOPKSCLXMBF-QFIPXVFZSA-N 319.382 1.694 10 10 DDCE C[C@@H](NC(=O)[C@@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1 1625544222 RWIOKTMJBDBOCL-ABAIWWIYSA-N 302.378 1.397 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CC(O)(c2ccccc2)C1 1558978024 HJLMOGLWTJUXJR-UHFFFAOYSA-N 303.289 1.581 10 10 DDCE COC(=O)CN(C(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1628373151 LYHMIMOTTYOLOV-UHFFFAOYSA-N 315.325 1.847 10 10 DDCE CN1NC(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)C1=O 169996146 KJPAGXRDVIPCJU-VIFPVBQESA-N 315.251 1.153 10 10 DDCE CC1(CNC(=O)NCCCSc2nccs2)COC1 153540589 ULQJBUHFGZYPGB-UHFFFAOYSA-N 301.437 1.961 10 10 DDCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1nc(Br)cs1 1939398861 XZGQCOZRPJQWTO-RXMQYKEDSA-N 305.161 1.332 10 10 DDCE C[C@@H](C(=O)OC(C)(C)C)S(=O)(=O)Nc1ccc(N)cc1 2151217832 QRBSDVXKHDCLBF-VIFPVBQESA-N 300.380 1.741 10 10 DDCE CS(=O)(=O)N1CCC(NCc2cccc(F)c2O)CC1 164944705 CWCYISFAMPVCCQ-UHFFFAOYSA-N 302.371 1.045 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3COC[C@H]32)cc1Br 2013474707 HXCOQQWBESIUDF-PRHODGIISA-N 301.159 1.882 10 10 DDCE Oc1nnc(CNCc2cccc(Br)c2O)o1 2023061975 TVLZGYDKHRKHFB-UHFFFAOYSA-N 300.112 1.533 10 10 DDCE CNC(=O)NCCNCc1cc(Br)cc(F)c1O 715778866 NGNFTRHUUBFENN-UHFFFAOYSA-N 320.162 1.312 10 10 DDCE CC(C)C[C@@H]1C(=O)NCCCN1C(=O)Cc1ccc(O)c(O)c1 2064322628 GDQWPYAOSZLRLG-CYBMUJFWSA-N 320.389 1.404 10 10 DDCE CC[C@@H]1NC(=O)[C@H](CC)N(Cc2cnc(SC)s2)C1=O 2284668998 ZANYFZKXIXPZCH-UWVGGRQHSA-N 313.448 1.881 10 10 DDCE CCOC(=O)[C@H]1C[C@@H]1C(=O)NCc1cnc(SC)s1 2269093223 BNPBHCSUDDXSCS-IUCAKERBSA-N 300.405 1.680 10 10 DDCE Cc1c(C=CC(=O)N2CCCc3c(C(N)=O)cccc32)cnn1C 2304152858 WQZAEUJYAQCGMJ-UHFFFAOYSA-N 324.384 1.820 10 10 DDCE Cc1ccc(CN(C)c2cnnc(=N)[nH]2)c(O)c1Br 2352940280 CRUXRBLTDIDKTN-UHFFFAOYSA-N 324.182 1.697 10 10 DDCE COc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc(Cl)c1OC 59861327 BKYDEZYQRPPBEU-XBXARRHUSA-N 324.720 1.449 10 10 DDCE CCN1CCC[C@H](NC(=O)NCc2cccc(OC)c2O)C1 174238547 VLPPSAPPYPMMJG-ZDUSSCGKSA-N 307.394 1.684 10 10 DDCE COCCN(CC(=O)OC)Cc1cc(Cl)cc(C)c1O 180254246 MFXVWRRUGQCEEK-UHFFFAOYSA-N 301.770 1.975 10 10 DDCE O=C1c2cn(CCOCCO)cc2C(=O)c2c(Cl)cccc21 39432012 LVARPTBNPMNYOZ-UHFFFAOYSA-N 319.744 1.926 10 10 DDCE COc1cc(O)c(CN2CC[C@](O)(C(F)(F)F)C2)cc1OC 180405709 MDFQUFXKIJBEFA-CYBMUJFWSA-N 321.295 1.909 10 10 DDCE Nc1ccc(OCCC(=O)N(CCO)CC(F)(F)F)cc1 40333173 HDGYFBYVYNNINH-UHFFFAOYSA-N 306.284 1.421 10 10 DDCE COc1cc(Cl)c(N2CC[C@@H](O)[C@@](C)(O)C2)c(OC)c1 2368095108 CZUDFQFIKOCLAW-OCCSQVGLSA-N 301.770 1.679 10 10 DDCE Cc1ccc(O)c(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1 370165206 VLAFLSSWGRHFDC-UHFFFAOYSA-N 324.446 1.701 10 10 DDCE CC(=O)C(=O)COC(=O)c1nn(-c2ccc(C)cc2)cc1O 808547441 OFXZWPSLMLUEEC-UHFFFAOYSA-N 302.286 1.201 10 10 DDCE CO[C@H]1COCC[C@H]1CC(=O)NCc1ccc(N(C)C)c(F)c1 822862714 KXFYQMZITZCHRS-BBRMVZONSA-N 324.396 1.950 10 10 DDCE COc1cccc(CNC(=O)NCCO[C@H]2CC2(F)F)c1O 821444155 HCDKYRQHAJZCBB-NSHDSACASA-N 316.304 1.624 10 10 DDCE CN1CCN(Cc2cccc(Br)c2O)CCC1=O 827358472 BQIKRLHGLVMKGA-UHFFFAOYSA-N 313.195 1.819 10 10 DDCE Oc1cc2c(cc1CN[C@H]1CNCC3(CCOCC3)C1)OCO2 903973841 IZHVPPWOTASPLR-CYBMUJFWSA-N 320.389 1.369 10 10 DDCE C[C@H](NC(=O)C[C@@]1(O)CCCN(C)C1)c1ccc(N(C)C)cc1 907493278 PXULIRDIJBJWMO-KSSFIOAISA-N 319.449 1.777 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@H](C)O)C2)cc1 854299711 RBBXSZGCMLNCKT-STQMWFEESA-N 307.394 1.296 10 10 DDCE COC[C@](C)(O)CCNCc1cc(F)c(N(C)C)cc1F 858169826 DQGIEQAZNGUAGY-OAHLLOKOSA-N 302.365 1.908 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1C[C@H]2C=C[C@H]1O2 930519338 KJXWDKDUZGBMBE-BRWVUGGUSA-N 314.385 1.483 10 10 DDCE CCO[C@H](C(=O)NCCc1ccc(O)c(O)c1)[C@@H]1CCOC1 866756969 FDTQURIODCJYDZ-DOMZBBRYSA-N 309.362 1.198 10 10 DDCE COC[C@@]1(C(=O)NCc2ccc3cccnc3c2O)CCOC1 862025327 SNLPUSGOJCRDKC-KRWDZBQOSA-N 316.357 1.610 10 10 DDCE C[C@H](NC(=O)C1(N2CCOCC2)CC1)c1ccc(N(C)C)cc1 867504732 ZIVKBKBPBRMKLC-AWEZNQCLSA-N 317.433 1.795 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[C@@H](C)NC2)c1 861685054 CCAMCPNPGQRYLS-WOPDTQHZSA-N 307.394 1.902 10 10 DDCE CO[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccc(O)cc1 765985588 KADCJHFTSXBCLE-INIZCTEOSA-N 317.341 1.850 10 10 DDCE COCCN1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1O 868281333 OTILOQZJXCGJFM-ZIAGYGMSSA-N 321.421 1.863 10 10 DDCE COC(=O)[C@@H](NCc1cc(OC)ccc1O)c1ccn(C)n1 787438038 GKAZXXUQWKNJLV-AWEZNQCLSA-N 305.334 1.138 10 10 DDCE COC(=O)[C@@H](CC1CCOCC1)NCc1cc(F)ccc1O 895590217 KOLIECWVHASKMC-CQSZACIVSA-N 311.353 1.979 10 10 DDCE CC(=O)N1CCN(c2ccc(CNC(=O)NC(C)C)cc2)CC1 786035493 DLJPTSUBVGAFRK-UHFFFAOYSA-N 318.421 1.563 10 10 DDCE C[C@@H]1CC(=O)NCCN1C(=O)c1cc2cc(O)c(O)cc2s1 896682765 VXXUHQUPJJWRJB-MRVPVSSYSA-N 320.370 1.663 10 10 DDCE CCOc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3OC)CC2)cc1 1137658404 GMSZIFGSYXNALJ-HZPDHXFCSA-N 304.390 1.769 10 10 DDCE O=C(O)[C@H]1C[C@H]1CNCc1c(O)cccc1Br 715334710 NZFVSFWKSJVCBM-YUMQZZPRSA-N 300.152 1.965 10 10 DDCE COc1cc(CNCCC(=O)O)ccc1N1CCN(C)CC1 212675131 RQJLEYLJWMMUMS-UHFFFAOYSA-N 307.394 1.011 10 10 DDCE C[C@@H](SCCS(C)(=O)=O)C(=O)Nc1ccc(N)cc1 111004392 AAKVEUOYVPUSKC-SECBINFHSA-N 302.421 1.374 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cc(C2CCOCC2)[nH]n1 1620609067 FUWPBRQDUCPPFE-UHFFFAOYSA-N 317.345 1.896 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc(-c2nc[nH]n2)cc1 1558533864 LWPYASPLNYFLIC-UHFFFAOYSA-N 310.313 1.813 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1cnc(Cl)cn1 1556922022 IHWVVSJHRQMUHZ-RQOWECAXSA-N 305.721 1.871 10 10 DDCE COc1ccc(CNC(=O)c2cnc(C(C)=O)s2)c(O)c1 1568097232 AKXZUDIGJGGNHA-UHFFFAOYSA-N 306.343 1.990 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1ncc(CCO)s1 1638199357 JEYRQTHOFYECCR-RQOWECAXSA-N 306.343 1.741 10 10 DDCE O=C(Nc1cccc(Cc2nn[nH]n2)c1)c1cc(O)cs1 1638554474 SJNLSENZMYSJEE-UHFFFAOYSA-N 301.331 1.810 10 10 DDCE Cn1cc(C(=O)NCc2cc(O)ccc2O)c(-c2ccncc2)n1 1651222967 UUUGFOKWAILHEM-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE O=C1OCC[C@]12CCN(Cc1ccc(N3CCOCC3)cc1)C2 1660694864 UQAUPPXSNIIFHX-SFHVURJKSA-N 316.401 1.662 10 10 DDCE O=C(Cc1cn2ccsc2n1)NCCc1ccc(O)c(O)c1 156589452 KNZNJOYVWXAWEA-UHFFFAOYSA-N 317.370 1.708 10 10 DDCE CCN(CCO)C(=O)CNCc1ccc(N(CC)CC)cc1 1857866389 JAFCHOWCUIPEPW-UHFFFAOYSA-N 307.438 1.463 10 10 DDCE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(CCCN=[N+]=[N-])C1 1962288093 RHHVSFNKFDSIKI-UHFFFAOYSA-N 312.374 1.093 10 10 DDCE CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2cccc(F)c2O)C1 1963496447 FKBZYWPHGIDOSL-VXGBXAGGSA-N 301.383 1.977 10 10 DDCE CO[C@H](CCO)CNCc1cc(Br)cc(F)c1O 1972503251 KQGLMBJNOFCONU-SNVBAGLBSA-N 322.174 1.781 10 10 DDCE Oc1c(F)cc(Br)cc1CN[C@H]1CCOC[C@@H]1O 715719943 HKVVWXKPGVUSLA-QWRGUYRKSA-N 320.158 1.533 10 10 DDCE CC(C)(C)OC(=O)NC1CCC(COc2nnc(=N)[nH]n2)CC1 2210649054 FMCLLVMXALRFFS-UHFFFAOYSA-N 324.385 1.141 10 10 DDCE COc1cc(N(C)[C@H](C)CCS(C)(=O)=O)ccc1CO 2204552605 DKVOOGXAPSBKIZ-LLVKDONJSA-N 301.408 1.447 10 10 DDCE CO[C@@H]1[C@H](OC)CN(c2ccc(CN)c(Cl)c2)[C@@H]1CO 2233359115 YFLAOSYLBKTIEV-MCIONIFRSA-N 300.786 1.010 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@@H]2[C@H](O)CO)c(Br)c1 2258342100 MONXRLAYWNBFKK-ZEGGKSINSA-N 316.195 1.434 10 10 DDCE CN1C(=O)C(=Cc2cccc(OCC(=O)O)c2)SC1=S 2294871981 KHCFMBHOFLLUPH-UHFFFAOYSA-N 309.368 1.981 10 10 DDCE Cc1ccc(CN2C[C@H](O)[C@H](O)C2)c(O)c1Br 2307476716 DPTXDRCUWBKOHV-AOOOYVTPSA-N 302.168 1.001 10 10 DDCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C[C@H]2C(F)(F)C3)cc1 2354219687 YOJBJFARRMXULL-PWSUYJOCSA-N 302.346 1.828 10 10 DDCE CCN1C(=O)/C(=C/c2nc3ccccc3[nH]2)C(=O)NC1=S 501664 LRLQKYGCWRKJRS-BQYQJAHWSA-N 300.343 1.210 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)Cn2cncn2)c1 103613581 ZZKOFLCVDVBSSR-WDEREUQCSA-N 319.365 1.441 10 10 DDCE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCCn1ccnc1)C(=O)C2=O 27587113 JKFIQHKPJOEGQE-SJORKVTESA-N 317.389 1.354 10 10 DDCE CCNC(=O)N1CC[C@@H](N[C@H](C)c2cc(OC)ccc2O)C1 186109677 WYWTXATZNCMLAV-VXGBXAGGSA-N 307.394 1.855 10 10 DDCE C[C@H]1CN(CCN(C)Cc2cc([N+](=O)[O-])ccc2O)C[C@@H](C)O1 195317868 IHMCNLGJDXDJGV-BETUJISGSA-N 323.393 1.841 10 10 DDCE CN(CCC(F)(F)F)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 88420075 NRUZDFGQJKDLKC-VIFPVBQESA-N 306.284 1.378 10 10 DDCE COCCCNC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1 244225074 WCCSWCCSQBUVBO-UHFFFAOYSA-N 321.377 1.283 10 10 DDCE CC(=O)C(=O)COC(=O)c1cn(-c2ccc(F)cc2C)nn1 808533309 XWNHQOBJLYPBMG-UHFFFAOYSA-N 305.265 1.030 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(-c2ccc3c(c2)CCO3)no1 808529847 WCUMYGBLCJNALH-UHFFFAOYSA-N 315.281 1.591 10 10 DDCE O=C(COC(=O)C1(CF)CCOCC1)c1ccc(O)c(O)c1 837861218 RUTPUUPGCFJNJW-UHFFFAOYSA-N 312.293 1.590 10 10 DDCE OCc1ccc(N2C[C@@H](O)C[C@@H](F)C2)cc1Br 2213903870 MYYWCODWOBLNQH-KOLCDFICSA-N 304.159 1.851 10 10 DDCE C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1cc(Cl)ccc1O 845995930 JDRGMAATYWJRKT-QPUJVOFHSA-N 305.783 1.642 10 10 DDCE CC(=O)C(=O)[C@@H](O)[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 1894251250 KIELLZHNWHLAMW-WPRPVWTQSA-N 307.293 1.150 10 10 DDCE 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O=C(O)c1cc(O)ccc1NS(=O)(=O)C1CCOCC1 50199548 LGOJDTUWGAPIGO-UHFFFAOYSA-N 301.320 1.011 10 10 DDCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1csc(Br)c1 309137610 QYMZCYSBHOJGTM-ZETCQYMHSA-N 304.173 1.937 10 10 DDCE COc1ncc(S(=O)(=O)Nc2ccc(O)cc2C)s1 311530773 FLZBQTQTRUJOLG-UHFFFAOYSA-N 300.361 1.967 10 10 DDCE NCc1cc(F)c(N2C[C@H](CO)[C@@H](CCO)C2)cc1Cl 2177384138 VUQZPINKQNSUTO-GXSJLCMTSA-N 302.777 1.365 10 10 DDCE Cn1c(C2=C[C@H](O)[C@H](N)C2)nc2ccc(Br)cc21 2067752633 ARPKRXFHPAXXMD-SKDRFNHKSA-N 308.179 1.811 10 10 DDCE COCCNCc1cnc(SCCOCCOC)s1 2099105602 NBPWHHWBMAMQQV-UHFFFAOYSA-N 306.453 1.634 10 10 DDCE O=[N+]([O-])c1cc(NS(=O)(=O)[C@H]2CCC[C@H]2F)ccc1O 2236168551 QGGNIMUIDPZMST-KCJUWKMLSA-N 304.299 1.933 10 10 DDCE CC(=O)N[C@@H](CSc1ncc(C(C)(F)F)s1)C(=O)O 2264516153 XHWJXMPDEJUWBR-LURJTMIESA-N 310.347 1.936 10 10 DDCE CCn1cc(C=C2C(=O)NC(=S)N(C)C2=O)c2ccccc21 2296160367 MFFVPKZRJQLVBJ-UHFFFAOYSA-N 313.382 1.918 10 10 DDCE Cc1ccc(CN(C)CC(CO)CO)c(O)c1Br 2327628835 LJDMRXNFXGXZQS-UHFFFAOYSA-N 318.211 1.496 10 10 DDCE Cc1ccc(CN[C@]2(CO)CCOC2)c(O)c1Br 2327796608 KBEKZUCNXPVBSO-ZDUSSCGKSA-N 316.195 1.704 10 10 DDCE CN(CCN=[N+]=[N-])C(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1890412784 UAMATIPHTUPYIP-VIFPVBQESA-N 301.347 1.031 10 10 DDCE COCc1n[nH]c(CNCc2ccc(N3CCOCC3)cc2)n1 1346845625 AYELAQWMDSDSGN-UHFFFAOYSA-N 317.393 1.078 10 10 DDCE NCc1ccc(N2CCC(C(N)=O)CC2)c(Br)c1 213023628 JBTZVBVUPNZLDQ-UHFFFAOYSA-N 312.211 1.610 10 10 DDCE CO[C@H]1[C@@H](CF)N(c2ccc(CN)c(Cl)c2)C[C@H]1OC 2366433797 BMLMSKNLJNMOGO-MCIONIFRSA-N 302.777 1.987 10 10 DDCE C[C@H](c1ccccc1O)N(CC(=O)O)[C@@H]1CCS(=O)(=O)C1 86736881 OKTVYEBZMKIXHU-GHMZBOCLSA-N 313.375 1.027 10 10 DDCE O=C(Cc1cccs1)NCCN1C(=O)CSC1=S 49755652 YFBGQDQRTHFQAC-UHFFFAOYSA-N 300.430 1.267 10 10 DDCE O=C(C1CCOCC1)N1CCN(c2ccc3c(c2)OCO3)CC1 243885514 RONXCXUQAFWRMU-UHFFFAOYSA-N 318.373 1.491 10 10 DDCE C[C@@H]1COCC[C@@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 277571301 VBRGYJPFVXIGAM-PBHICJAKSA-N 319.449 1.726 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cnn(C)n1 807568404 UPVIUBOLOPFUNZ-UHFFFAOYSA-N 316.409 1.613 10 10 DDCE C/C=C\[C@H](O)C(=O)NCc1cc(Br)ccc1O 908170325 NLJIGLKIJYSDPM-QUCGXOGASA-N 300.152 1.708 10 10 DDCE O=C([C@@H]1[C@H]2COC[C@H]21)N(Cc1ccccc1O)C[C@@H]1CCCO1 830900110 QDPRNEHKUDWHBS-LJIGWXMPSA-N 317.385 1.792 10 10 DDCE Nc1ccc(CCNC(=O)NC[C@H]2CN(C3CC3)C(=O)O2)cc1 848602613 CKTIJWRMRMTBAE-AWEZNQCLSA-N 318.377 1.094 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)CC(F)(F)CN)cc1 846697496 REQZINXJQXCJQY-UHFFFAOYSA-N 315.364 1.574 10 10 DDCE C[C@H]1CNCC[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 841759749 IBAXRNBBEAHKJV-SMDDNHRTSA-N 308.401 1.689 10 10 DDCE C[C@@H](C(=O)NCc1c(O)cccc1F)[C@@H](C)S(C)(=O)=O 928707740 HLLICMPFSREWTF-RKDXNWHRSA-N 303.355 1.217 10 10 DDCE Cc1cc(CN2CCN(c3nccnn3)CC2)ccc1N(C)C 859409376 QCOHVJFSKASIPO-UHFFFAOYSA-N 312.421 1.568 10 10 DDCE O=C(NCC[S@](=O)CC(F)(F)F)c1cccc(O)c1O 855270991 YAZLDOKEBHBAFQ-FQEVSTJZSA-N 311.281 1.139 10 10 DDCE Cc1ccc(O)c(CNC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)c1 862760989 ZFNCRKQDALYQID-QXMXGUDHSA-N 303.358 1.559 10 10 DDCE COc1ccc(N(C)CC2CN(S(C)(=O)=O)C2)c(OC)c1 930078007 XCKNEYJSMJNIBY-UHFFFAOYSA-N 314.407 1.031 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1 860297873 JWOHPSMDGGUWGU-UHFFFAOYSA-N 322.317 1.744 10 10 DDCE CC(=O)N1CCC[C@@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 875548824 DBVYEEPZUJAGOP-ZDUSSCGKSA-N 317.389 1.676 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1CCNC1=O 878008802 OFRAVVUPFZDGAG-CQSZACIVSA-N 303.406 1.627 10 10 DDCE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cccc(O)c3O)[C@@H]2C1 888469543 XDGAAQHQJRBFCE-IQIPOGNMSA-N 305.330 1.415 10 10 DDCE COC(=O)/C=C/c1ccc(N2C[C@@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])c1 782408723 UUOYSVNFMPOBPE-JCBACFLVSA-N 318.329 1.600 10 10 DDCE COC(=O)c1c(CNC[C@H]2C[C@@H](O)C2)c2cc(F)ccc2n1C 895403821 AQHVYZFSXFEXMZ-KLPPZKSPSA-N 320.364 1.965 10 10 DDCE NC(=O)CC1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1154479827 KEQWUSIECYGSSC-UHFFFAOYSA-N 303.322 1.233 10 10 DDCE O=C(NCc1nc(C(F)(F)F)no1)NCc1ccccc1O 1313228255 QQTPQHSGUQIPHL-UHFFFAOYSA-N 316.239 1.793 10 10 DDCE N[C@H]1CC(C(=O)N2CCc3cc(Br)ccc32)=C[C@@H]1O 2131469965 NGEJNUVELGJIPG-AAEUAGOBSA-N 323.190 1.357 10 10 DDCE [N-]=[N+]=NC1CN([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2O)C1 1912185336 OKWFEULVQYQWAI-KBPBESRZSA-N 317.349 1.363 10 10 DDCE C[C@H](CN1CCCC1=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1442742591 ISPKWEJBEJTFED-SNVBAGLBSA-N 317.349 1.590 10 10 DDCE CCN1CC[C@H]1C(=O)NCc1cccc(Br)c1O 1556481340 QZXTYQPPMDMBCY-NSHDSACASA-N 313.195 1.865 10 10 DDCE Cn1cnnc1CNC(=O)c1cc2cc(O)c(O)cc2s1 1629634627 QSQYHJLDSREOHO-UHFFFAOYSA-N 304.331 1.371 10 10 DDCE CON(CCNCc1ccc(O)cc1O)C(=O)OC(C)(C)C 1928128602 JMIQQMHXUPJTSK-UHFFFAOYSA-N 312.366 1.986 10 10 DDCE CO[C@H](C)CN(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1663343201 YYCODRNNIAAMCH-LLVKDONJSA-N 321.381 1.546 10 10 DDCE CC[C@@H](C)N(CCOC)S(=O)(=O)Cc1ccc(N)cc1 42563150 HGDLJGFRYIMNLV-GFCCVEGCSA-N 300.424 1.846 10 10 DDCE CN1C(C)(C)[C@H](NCc2c(O)cccc2Cl)CS1(=O)=O 2151080194 QGDLVHWVCHKIDG-GFCCVEGCSA-N 318.826 1.558 10 10 DDCE CS(=O)(=O)C[C@H]1CCCN1Cc1ccc(F)c(F)c1O 2151230025 FEAUTIPHKRVMES-SNVBAGLBSA-N 305.346 1.679 10 10 DDCE CN1CCN(c2ccc(CN)c(Br)c2)CCC1=O 688931409 VAKTVMQRXYZEDC-UHFFFAOYSA-N 312.211 1.576 10 10 DDCE Cn1cc(Br)c(CNCc2cccc(O)c2O)n1 393321795 MJCNDYLGJOHGME-UHFFFAOYSA-N 312.167 1.884 10 10 DDCE COc1ccc(N2CCN(S(=O)(=O)CCF)CC2)cc1 2177550749 OSAMPEUIONGGAT-UHFFFAOYSA-N 302.371 1.117 10 10 DDCE CS(=O)(=O)c1cnn(Cc2c(O)cccc2F)c1Cl 2070245090 UNNUGTYWQXUEAM-UHFFFAOYSA-N 304.730 1.833 10 10 DDCE CCO[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)C(C)C 2188360360 BSUZUPVVIKWEBI-AWEZNQCLSA-N 300.424 1.749 10 10 DDCE Oc1c(Br)cccc1CNCC1COCCOC1 2067779368 XWTNPFZICGYIES-UHFFFAOYSA-N 316.195 1.907 10 10 DDCE CCn1cc(S(=O)(=O)Nc2ccc(O)cc2Cl)nn1 2088134836 NBBHPNXPNZUNKM-UHFFFAOYSA-N 302.743 1.458 10 10 DDCE CCOc1cccc(CNCC[S@@](=O)CCOC)c1O 2207027051 GSDYQUUCOVEILQ-HXUWFJFHSA-N 301.408 1.276 10 10 DDCE COc1ccc(Br)c(CN2CCNNCC2)c1O 2220455794 GGGGJKQETDYPTA-UHFFFAOYSA-N 316.199 1.073 10 10 DDCE CN(C)c1ccc(O[C@@](C)(CS(C)(=O)=O)C(=O)O)cc1 2237691530 KIZIPXFNIUZFGB-ZDUSSCGKSA-N 301.364 1.019 10 10 DDCE Cc1cc(N2CCSC[C@@H]2S(C)(=O)=O)ccc1[C@H](C)O 2285150612 MZANSYUERNVMDF-FZMZJTMJSA-N 315.460 1.972 10 10 DDCE COc1cccc(CNC(=O)C=Cc2cncc(O)c2)c1O 2308034478 VYMCCYVUHSZXFM-UHFFFAOYSA-N 300.314 1.831 10 10 DDCE O[C@]1(CCNCc2ccc(N3CCOCC3)cc2)CCOC1 404194429 OVYMOCFKSBFYMD-QGZVFWFLSA-N 306.406 1.154 10 10 DDCE C[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)CN1CCCC1 62069401 AWTGYFIZAITLOO-CYBMUJFWSA-N 311.451 1.420 10 10 DDCE COCCN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1C 181096161 MAGNPEWMXNWUDB-BPJJOFIESA-N 320.389 1.290 10 10 DDCE CN(C)c1ccc(CNC(=O)/C=C/c2ccnn2C)cc1F 194893433 XULSAEKSMUOOBA-FNORWQNLSA-N 302.353 1.955 10 10 DDCE CC[C@H](NC[C@@](C)(O)CO)c1cc(Br)ccc1O 90286113 XLSGNODCVYAIBA-WCQYABFASA-N 318.211 1.939 10 10 DDCE Cc1cc(Cl)cc(CN[C@@H]2CCc3nnnn3CC2)c1O 817419069 OWCUHKVZCUJBQX-GFCCVEGCSA-N 307.785 1.835 10 10 DDCE O[C@@H](CNCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 819358806 QSUDJQPLZCTQFW-HNNXBMFYSA-N 312.360 1.662 10 10 DDCE COC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)c1cc(O)cs1)C2 822485794 SUAUOHJUTSWAKS-GDPRMGEGSA-N 310.375 1.803 10 10 DDCE CC(=O)NC[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 835028073 JFFOOGFTXKHIHV-PYTPGESOSA-N 317.433 1.603 10 10 DDCE CCn1nncc1CN(CCOC)c1ccc(OC)c(OC)c1 838895426 OXWMWVZYAXYHJD-UHFFFAOYSA-N 320.393 1.968 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cc1F 831011683 GGAHXCKBBPGRIF-NWDGAFQWSA-N 323.368 1.944 10 10 DDCE Cc1nc([C@@H]2CCN(Cc3cc4c(cc3O)OCO4)C2)no1 905685844 ZZPJDLMOZJYDRW-SNVBAGLBSA-N 303.318 1.802 10 10 DDCE CN1CCN(C(=O)CNC/C=C\c2ccc(N(C)C)cc2)CC1 835035302 GSNPTIYWMQSLSR-PLNGDYQASA-N 316.449 1.129 10 10 DDCE COC(=O)[C@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 849322266 QCHKHXUNBKBICG-XJKSGUPXSA-N 304.390 1.815 10 10 DDCE CNS(=O)(=O)[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 749793555 UCYBNBUDBNDMGM-AWEZNQCLSA-N 310.419 1.004 10 10 DDCE CON1CCC(C(=O)N(CC(=O)O)Cc2ccccc2O)CC1 911487619 DGCYZUGBBPHKGO-UHFFFAOYSA-N 322.361 1.079 10 10 DDCE CN(Cc1cc2c(cc1O)CCC2)C[C@@H]1CCS(=O)(=O)C1 740867381 RLAMJLRVTNMLFZ-LBPRGKRZSA-N 309.431 1.747 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CCC(=O)O)c1cc(O)nc(O)c1 1952310256 ZYOJEBRDWQFVCB-SECBINFHSA-N 312.322 1.923 10 10 DDCE CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)C1CNC1 923596271 DYNQAUAXUDTNCW-UHFFFAOYSA-N 311.451 1.265 10 10 DDCE Cn1nnc2c1C[C@H](NC(=O)NCc1c(O)cccc1F)CC2 927866473 DBSPBCXSTDMDMG-SECBINFHSA-N 319.340 1.017 10 10 DDCE COc1ccc(N2CC[C@@H](Nc3nc(C(N)=O)cs3)C2)cc1 853760360 JZXHSEMRWSQCHN-SNVBAGLBSA-N 318.402 1.941 10 10 DDCE COc1cccc(CNC(=O)[C@]2(CC(C)C)CCNC2=O)c1O 866763056 GWBWXPUJCRHHSN-KRWDZBQOSA-N 320.389 1.569 10 10 DDCE CCO[C@@H]1COCC[C@@H]1CC(=O)NCc1cc(OC)ccc1O 866767550 UCRSSZRVHVFCDJ-MLGOLLRUSA-N 323.389 1.849 10 10 DDCE COc1cc(Br)cc(CN2C[C@H]3C[C@]3(O)C2)c1O 895647379 KWMRLWQLQSPUTR-RNCFNFMXSA-N 314.179 1.730 10 10 DDCE CN(c1ccc(CN)cc1F)[C@H]1CCCS(=O)(=O)CC1 694215943 UBMAUEKMIRMXRO-LBPRGKRZSA-N 300.399 1.688 10 10 DDCE O=C1Nc2cc(N3CC[C@](F)(CO)C3)c(Cl)cc2[C@H]1O 1917135764 HQJZMGGWRRNJJD-DGCLKSJQSA-N 300.717 1.236 10 10 DDCE CC(=O)N1CCC[C@H]1C(=O)Nc1c(Cl)ccc2nonc12 1330090332 KPZSEUUEHQIWSO-JTQLQIEISA-N 308.725 1.826 10 10 DDCE C[C@@H](O)C(C)(C)NCc1ccc(N2CCN(C)CC2)c(F)c1 1337282654 TUUCNNIOGMRURZ-CYBMUJFWSA-N 309.429 1.827 10 10 DDCE O=C(O)C1=CC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 1350429154 SZSZIMIHIZLMHR-CQSZACIVSA-N 320.364 1.925 10 10 DDCE COc1cc(CNCCN(C)C)ccc1N(C)CCC(=O)O 211652496 YBAYEKXWWHPWSI-UHFFFAOYSA-N 309.410 1.257 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1n[nH]cc1[N+](=O)[O-] 1451957072 QXAXUJSDMFKUQB-UHFFFAOYSA-N 313.273 1.502 10 10 DDCE CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1cccc(O)c1O 1455615844 SSBUBCXCFOITRN-ZYHUDNBSSA-N 323.345 1.328 10 10 DDCE C[C@@H](O)CN(CC(F)F)C(=O)c1ccc(N=NC(N)=O)cc1 1468088246 JZPPIGMTZTUZGK-MRVPVSSYSA-N 314.292 1.937 10 10 DDCE C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)CC[S@@]1=O 1611144320 HAQGZXFDKLMMMM-FHZGZLOMSA-N 301.339 1.220 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(C2(O)COC2)cc1 1556900996 ZEJFZKMBLHEREI-UHFFFAOYSA-N 315.325 1.497 10 10 DDCE C[C@@H](NC(=O)N1C[C@H]2COC(=O)[C@H]2C1)c1ccc(N(C)C)cc1 1634436518 YTTDXCCYICICQX-ZLDLUXBVSA-N 317.389 1.628 10 10 DDCE C[C@@H](NC(=O)c1coc(S(N)(=O)=O)c1)c1ccccc1O 1648889968 URHZWPCEVCEONF-MRVPVSSYSA-N 310.331 1.124 10 10 DDCE COC1CCN(c2ccc(CN3C[C@@H](O)[C@@H](CO)C3)cc2)CC1 1654688282 QIAFTGXOLLENNT-CRAIPNDOSA-N 320.433 1.087 10 10 DDCE COc1ccc(CNC2(CNC(=O)c3cnn[nH]3)CC2)cc1C 1670811554 BANSFEIGNWSCID-UHFFFAOYSA-N 315.377 1.174 10 10 DDCE COC(=O)[C@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCSC1 1772911397 MBZLFUGUCWHVDO-QTLSWZBMSA-N 323.370 1.276 10 10 DDCE O=C(NCCNC(=O)C1CCCCC1)c1cc(O)c(O)c(O)c1 169835791 DVRCNDRDLDSLET-UHFFFAOYSA-N 322.361 1.230 10 10 DDCE CCOC(=O)CCN(CC)C(=O)CNCc1cc(C)ccc1O 1857867866 GFQYHNJDOUZEQM-UHFFFAOYSA-N 322.405 1.592 10 10 DDCE CN(Cc1ccccc1O)Cc1c(Br)nnn1C 1966156907 ARWBINGADUHMLP-UHFFFAOYSA-N 311.183 1.915 10 10 DDCE COc1cc(Cl)cc(CNC[C@]2(C)COCCO2)c1O 1967797096 NNQHGRIQFQURBO-CQSZACIVSA-N 301.770 1.949 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2ccc(N)cc2)CCO1 1977924601 CRXQPVBLBNEMRJ-OAHLLOKOSA-N 321.421 1.994 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H]2CCCCS2)cc1 157900122 KUEOMEMWGKCOSX-CYBMUJFWSA-N 300.449 1.974 10 10 DDCE C[C@@H]([C@H](N)c1ccccc1O)N1CC(NC(=O)OC(C)(C)C)C1 1987819836 FLYGPOUOVTWJCU-NHYWBVRUSA-N 321.421 1.989 10 10 DDCE CON1CC[C@H](NCc2c(O)cccc2Br)C1 2005018905 AAIKEQSEGQKITF-VIFPVBQESA-N 301.184 1.880 10 10 DDCE O=C(O)C1(F)CN(Cc2cc(Br)ccc2O)C1 2008822321 YNYILSYSXDCKLN-UHFFFAOYSA-N 304.115 1.763 10 10 DDCE CN(C)C[C@@](C)(O)CNCc1ccc(Br)cc1O 701096281 WBCFBAHNNCPCHM-ZDUSSCGKSA-N 317.227 1.557 10 10 DDCE CN1C(C)(C)[C@@H](NCc2c(O)cccc2F)CS1(=O)=O 2160778029 KVTZHWRMFUCDEI-LBPRGKRZSA-N 302.371 1.043 10 10 DDCE CN1C[C@@H](C(=O)N2Cc3cccc(O)c3C2)[C@@H](C(F)(F)F)C1 2065188582 RQRCYRPMTDKMSN-NEPJUHHUSA-N 314.307 1.975 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)CCOc1ccc(N)cc1 2170556613 OYMPQWPJEGZVOB-LBPRGKRZSA-N 300.424 1.403 10 10 DDCE CO[C@@H]1C[C@@H](NCc2cccc(Br)c2O)C[C@@H]1O 2067189188 PJEBENCJKNEDSR-ZMLRMANQSA-N 316.195 1.783 10 10 DDCE COCCNC(=O)CN(C)[C@@H](C)c1ccc(Cl)cc1O 2203363266 RFLGENQGKXAHKK-JTQLQIEISA-N 300.786 1.801 10 10 DDCE OCC1(O)CC(NCc2cc(Br)ccc2O)C1 2248618661 KDWHQUBXTFQKBM-UHFFFAOYSA-N 302.168 1.130 10 10 DDCE CO[C@@]1(C(=O)NCc2cnc(SC)s2)CCCNC1 2269203586 SGIGVAMXWLNTDA-LBPRGKRZSA-N 301.437 1.250 10 10 DDCE COCCCN1C(=O)C(=Cc2ccco2)C(C(=O)OC)=C1C 2297310172 OUDUBJZKLFAICU-UHFFFAOYSA-N 305.330 1.989 10 10 DDCE CN1C(=CC=C2C(=O)NC(=O)NC2=O)Sc2ccccc21 2297398580 OGGLNMQWLOMUTJ-UHFFFAOYSA-N 301.327 1.362 10 10 DDCE Nc1ccc(CN(C2CC2)S(=O)(=O)C[C@@H]2CCCO2)cc1 63155140 ADCIGANLLUKJSG-HNNXBMFYSA-N 310.419 1.742 10 10 DDCE Nc1ccc(Cc2nn3c([C@@H]4CCOC4)nnc3s2)cc1 133765089 FALKJEMINNWQAE-SNVBAGLBSA-N 301.375 1.863 10 10 DDCE CNC(=O)[C@@H](C)CN(C)c1ccc(CN)cc1Br 234377341 GZGKNMAWHIAQPT-VIFPVBQESA-N 314.227 1.726 10 10 DDCE Cc1cc(CS(=O)(=O)NCc2ccc(N(C)C)cc2)no1 265334438 NMQPTDNBYLKRQV-UHFFFAOYSA-N 309.391 1.669 10 10 DDCE CN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)Cc1ccccc1O 264608069 MOHBNXCAWNWXHU-NVXWUHKLSA-N 318.417 1.994 10 10 DDCE COc1ccc(N2CCN(CCNC(=O)CC3CC3)CC2)cc1 299298321 AJBZCQNJXQVUSO-UHFFFAOYSA-N 317.433 1.734 10 10 DDCE COC[C@@H](CCCN)N[C@@H](C)c1ccc(N2CCOCC2)cc1 817891687 NJTRAFVCZXIHID-DOTOQJQBSA-N 321.465 1.928 10 10 DDCE O=C1N[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)CO1 822818711 IVYLPKSHIWRNMT-CQSZACIVSA-N 303.362 1.402 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@H](OC)C(=O)O)cc1F 901943656 PFUNTFMLVHFRQN-ZDUSSCGKSA-N 312.341 1.388 10 10 DDCE CCCN1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1=O 588564821 SPHKPSUSLLCQOY-ALCCZGGFSA-N 318.373 1.582 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2cnc3n2CCOC3)c1 830541403 XKVVZYTVMQTCMH-JTQLQIEISA-N 317.345 1.619 10 10 DDCE C[C@H](NC(=O)N1CCOC2(CNC2)C1)c1ccc(N(C)C)cc1 841880844 IRGRRJRYHOCBMF-ZDUSSCGKSA-N 318.421 1.197 10 10 DDCE CN1CCN[C@@H](c2cccc(NC(=O)OC(C)(C)C)c2O)C1=O 1952565583 XOZNGXRQYXCVQP-LBPRGKRZSA-N 321.377 1.842 10 10 DDCE COCCN1CC[C@@H](N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 850347880 ZQUXRCFPNMEADH-CVEARBPZSA-N 319.449 1.584 10 10 DDCE CCOC(=O)C1=CC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1 862878875 XQTQFAJOEDTTII-NSHDSACASA-N 305.330 1.788 10 10 DDCE Cc1cc(C)c([C@H](C)NC[C@@]23COCCN2C(=O)OC3)c(O)c1 866522618 XOEOWLLHUMBVAJ-GUYCJALGSA-N 320.389 1.881 10 10 DDCE O=C(NCc1ccccc1O)c1cncc(N2CCCC2=O)c1 1137471488 NHJJPVRVUIQKIB-UHFFFAOYSA-N 311.341 1.844 10 10 DDCE CCN1CCC2(CC1)CN(CCO)c1ccc(OC)cc1N2 76931246 HPHCAICXVQNFFO-UHFFFAOYSA-N 305.422 1.774 10 10 DDCE CCCOc1ccc(/C=C2/C(=O)NC(=O)N(C)C2=O)cc1OC 1083976642 YEYNRRDJJBNJNI-FLIBITNWSA-N 318.329 1.576 10 10 DDCE CN(C)c1ccc(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)cc1 1176782468 FLIQMDSDSVBGTN-GOEBONIOSA-N 308.447 1.619 10 10 DDCE CN(CC(N)=O)c1ccc(C=CC(=O)O)c(Br)c1 1911960986 ORBRRWINZMFOEY-UHFFFAOYSA-N 313.151 1.468 10 10 DDCE CN1C[C@@H]2CC[C@@H](NC(=O)NCc3c(O)cccc3F)[C@H]2C1 1351848484 LLBLMMVBPKVDLH-VHRBIJSZSA-N 307.369 1.671 10 10 DDCE Cc1nc([C@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)n[nH]1 1295697822 KYNZUWGEEBBBTK-LBPRGKRZSA-N 316.361 1.473 10 10 DDCE O=C(CNc1ccccc1[N+](=O)[O-])NCc1cc(O)ccc1O 1558174143 FTUDZSRYYBEOLV-UHFFFAOYSA-N 317.301 1.734 10 10 DDCE Cn1nc(C(=O)NCCc2ccc(O)c(O)c2)c2ccccc21 1636022654 OKYFPYNMXPOGEK-UHFFFAOYSA-N 311.341 1.957 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C12CCCN1CCC2 1632681001 KRHSPKWXYOAXEM-GFCCVEGCSA-N 304.390 1.773 10 10 DDCE Cc1nc([C@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)n[nH]1 1634899116 IKUWQQBARXLMCP-ZETCQYMHSA-N 301.310 1.767 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCN2C[C@@H](F)C[C@H]2C1 1641267291 BSXVOHKZBFCCRR-FVPDLXMVSA-N 306.337 1.366 10 10 DDCE C[C@@]1(CO)C[C@@H](O)CN1C(=O)c1cc2cc(O)c(O)cc2s1 1585124698 DWCAMYROXJFWMP-PSLIRLAXSA-N 323.370 1.270 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@@H]2CCCN2C)cc1C 1663856540 YXBJBTDWNMKFNH-INIZCTEOSA-N 319.449 1.646 10 10 DDCE CCN(CCCO)c1c(F)cc(CNCCOC)cc1F 165268007 KWGIURAJTDNHLH-UHFFFAOYSA-N 302.365 1.910 10 10 DDCE CN(C)c1ccc([C@@H](NC(=O)CCCN)c2nccn2C)cc1 1865915723 TWIOQJBDNDHWGX-MRXNPFEDSA-N 315.421 1.431 10 10 DDCE OCc1ccc(N2Cc3cc(O)nnc3C2)c(Br)c1 2141181246 PSVYRBDAACWUET-UHFFFAOYSA-N 322.162 1.957 10 10 DDCE Nc1ccc(-n2nnc(C(=O)NCc3ccc(F)cc3)n2)cc1 1857879089 ULTDTQROXOKUAY-UHFFFAOYSA-N 312.308 1.314 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1(C)C 1895031459 HGSXWOAXZZWSNM-JYYRZZBQSA-N 324.421 1.801 10 10 DDCE C[C@@H](NCCNS(=O)(=O)C(F)F)c1cc(F)ccc1O 1964514234 LAQTYDJBVFDJDG-SSDOTTSWSA-N 312.313 1.324 10 10 DDCE CN(CCNC(=O)COc1ccc(N)cc1)C(=O)OC(C)(C)C 1977673251 XLCQSNYBUXPCGY-UHFFFAOYSA-N 323.393 1.631 10 10 DDCE CC(C)(C)OC(=O)NC1CN(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1 1985101354 RALHBUQKMBEJFP-JTQLQIEISA-N 324.385 1.948 10 10 DDCE C[C@@H]1C[C@@](NCCCN=[N+]=[N-])(C(N)=O)CN1Cc1ccccc1 309961943 AOVMKCHTDBCQKF-CJNGLKHVSA-N 316.409 1.795 10 10 DDCE CNCc1ccc(N(C)Cc2nncn2C)c(Br)c1 311905822 BGARGKACNJDNEQ-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE CN(c1ccc(CN)cc1Cl)[C@@H]1CCN(S(C)(=O)=O)C1 312886773 WBKFPEOXCNKPMQ-LLVKDONJSA-N 317.842 1.269 10 10 DDCE [N-]=[N+]=NCCCNC(=O)Cn1cc(Br)ccc1=O 701276076 WOSMOVGSPTWXPX-UHFFFAOYSA-N 314.143 1.427 10 10 DDCE CC(C)[C@H](NCc1ccc(Br)cc1O)C(N)=O 701042196 HYAWMJXOTKKAJB-NSHDSACASA-N 301.184 1.754 10 10 DDCE N[C@H]1CCCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1 2053821445 CIKUQNINRFRSJQ-INIZCTEOSA-N 315.417 1.486 10 10 DDCE Nc1ccc(CCNC(=O)c2ncncc2Br)cc1 382456467 VZBUAHCYTOSAMM-UHFFFAOYSA-N 321.178 1.794 10 10 DDCE C[C@@H](O)[C@@H]1CN(c2ccc(CO)c(Br)c2)CCO1 2053843993 NSOVWMYTSVNBFB-RNCFNFMXSA-N 316.195 1.527 10 10 DDCE NCC[C@H]1CN(Cc2cc(Br)ccc2O)CCO1 2055861079 RIFKXMSQPUOZIE-LBPRGKRZSA-N 315.211 1.704 10 10 DDCE CN(c1ccc(CN)c(Br)c1)[C@H]1CCC(=O)NC1 2063569880 SFHBZZGBPBJPFI-NSHDSACASA-N 312.211 1.623 10 10 DDCE O=S1(=O)C[C@@H]2CCN(Cc3cccc(Cl)c3O)[C@H]2C1 2094883531 WNMPEZFKBCZSMF-JQWIXIFHSA-N 301.795 1.665 10 10 DDCE COc1ccc(Br)c(CN[C@H]2CCN(C)C2)c1O 2208470026 SDUACQZGXPZYTM-VIFPVBQESA-N 315.211 1.957 10 10 DDCE COc1ccc(C2=NN(CCO)C(=O)C2=Cc2ccc[nH]2)cc1 2294965728 AVFZTVQYCFHJRI-UHFFFAOYSA-N 311.341 1.646 10 10 DDCE CSc1ncc(CNC(=O)C[C@@H]2CNC(C)(C)CO2)s1 2284694793 VDKQRKDMEFZOTC-SECBINFHSA-N 315.464 1.638 10 10 DDCE COc1cc(OC)c(N2CCC[C@@](O)(CO)C2)cc1Cl 2285876312 XODHJQDXVDVUKP-AWEZNQCLSA-N 301.770 1.681 10 10 DDCE CO[C@@H](C)CNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2310984021 PJROXNSGVIRVHS-AWEZNQCLSA-N 304.390 1.688 10 10 DDCE COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)NC1CC1 101842213 RPLUIDWSTALZGK-LFIBNONCSA-N 313.357 1.978 10 10 DDCE COC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(O)c(O)c2)C1 170046548 WMYBSXGEPYZODZ-WCQYABFASA-N 321.373 1.688 10 10 DDCE C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H]1N1CCOCC1 180224041 UTBZPGUTDSJLQR-YJBOKZPZSA-N 303.450 1.905 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N3CCCC[C@@H]3CO)c(Cl)cc21 92750704 KSLFFAABVHHVNP-OTYXRUKQSA-N 309.797 1.904 10 10 DDCE Cc1cscc1C(=O)N(CC(N)=O)Cc1ccc(N)cc1 94246225 CZMDZFNEOWWSNO-UHFFFAOYSA-N 303.387 1.766 10 10 DDCE CN1CC[C@H](N)[C@@H]1c1cc(I)ccc1O 1952218615 JDVXPIOZUBZOID-ONGXEEELSA-N 318.158 1.701 10 10 DDCE OC[C@H]1C[C@H]2CC[C@H]1N2Cc1ccc(N2CCOCC2)cc1 368229546 TZZKHSKFTHIXAB-KBAYOESNSA-N 302.418 1.868 10 10 DDCE CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCc1ccccc1O 389804273 ZOJRBXYIFKUSLI-MRRJBJDNSA-N 304.390 1.541 10 10 DDCE Cn1nccc1CC(=O)NCc1cc(Br)ccc1O 804738897 IWBYNCZDWWBVNB-UHFFFAOYSA-N 324.178 1.747 10 10 DDCE COCC[C@@H](COC)N[C@@H](C)c1cc(C(=O)OC)ccc1O 810256618 CHWNVLKZSOPFBP-AAEUAGOBSA-N 311.378 1.881 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1ccc(CN)s1 722271910 IXTWDYKDMSJISY-UHFFFAOYSA-N 312.416 1.733 10 10 DDCE C[C@@H](NC(=O)[C@@H]1[C@H]2COC[C@H]21)c1ccc(N2CCOCC2)cc1 823834504 HBAIKDMQEJDLCZ-VZEFYGNVSA-N 316.401 1.593 10 10 DDCE Cn1cc(CCCNC(=O)/C=C\c2ccc(O)c(O)c2)cn1 588404237 BESZGWXXTBIHOZ-ALCCZGGFSA-N 301.346 1.594 10 10 DDCE CN(C)c1ccc2c(c1)CN(C(=O)c1cnn(C)c1)CCO2 581789710 IMAMHOGAEXMRMI-UHFFFAOYSA-N 300.362 1.521 10 10 DDCE COC(=O)[C@@H]1[C@H](O)CCCN1C/C=C/c1ccc(N(C)C)cc1 835045738 POGBXMBJHGCPRH-UPXOEVQQSA-N 318.417 1.764 10 10 DDCE CN(Cc1ccccc1O)Cc1cnnn1[C@@H]1CCCNC1 903884533 BYCSCSSGXSKEOI-CQSZACIVSA-N 301.394 1.540 10 10 DDCE COc1cc(O)c(CN[C@H](C(=O)O)c2ccnn2C)cc1OC 843040815 YOCQJXCKSWNWHK-AWEZNQCLSA-N 321.333 1.058 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](C)CO1 911311617 UKZGPBLMBZVKCK-IUODEOHRSA-N 321.373 1.709 10 10 DDCE COC[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(C(C)=O)c1O 844393273 QCTPJJKYKLFZJQ-QWHCGFSZSA-N 313.781 1.830 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)CN2CC[C@@H](C)C2)cc1 848243848 RPEOAUTVDSDUBD-OAHLLOKOSA-N 319.449 1.932 10 10 DDCE C[C@@H]1CC[C@H](NCc2cc3c(cc2O)OCO3)CS1(=O)=O 850368036 HRIXLNMDMGKJQU-KOLCDFICSA-N 313.375 1.176 10 10 DDCE COc1ccc(O)c([C@@H](C)NS(=O)(=O)[C@@H]2CCCNC2)c1 923615417 KOZXQNKNMLUYRF-ZYHUDNBSSA-N 314.407 1.133 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CF)[C@@H](N)Cc1ccc(O)c(O)c1 1953012873 PPRXHEFCYWWZJH-QWRGUYRKSA-N 314.357 1.830 10 10 DDCE CC(=O)c1cc(F)cc(CN2CC[C@@H](Cn3ccnn3)C2)c1O 852314371 GXCUBEMDOVRBRH-GFCCVEGCSA-N 318.352 1.848 10 10 DDCE CCC(=O)N[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855232987 VLIOLCHIHSQUPC-CHWSQXEVSA-N 319.405 1.305 10 10 DDCE Cc1ccc(C(=O)N2CCC(c3nc(N)n[nH]3)CC2)c(O)c1O 854504831 HZXYOGUFCSNIJY-UHFFFAOYSA-N 317.349 1.126 10 10 DDCE Cc1cccc(-n2c(C)cc(C(=O)NC[C@H](O)[C@@H](C)O)c2C)c1 871121160 BUCKUBLVHHTKJZ-PBHICJAKSA-N 316.401 1.874 10 10 DDCE OCc1nnc2n1CCN(Cc1cc(Cl)cc(F)c1O)C2 775723890 KHAGVZPXZMAQFV-UHFFFAOYSA-N 312.732 1.284 10 10 DDCE Cc1nn(C)c(C)c1CCNC(=O)c1c(F)ccc(O)c1O 789952454 COPXFZVWXCTQAY-UHFFFAOYSA-N 307.325 1.560 10 10 DDCE C[C@@H](NC(=O)C[C@H]1CCC(=O)NC1)c1ccc(N(C)C)cc1 1138363703 QLLWNEQCCMYOJT-CHWSQXEVSA-N 303.406 1.846 10 10 DDCE Oc1cccc(Br)c1CNCCCn1cnnc1 706799984 MDHSDFWJEUUAJG-UHFFFAOYSA-N 311.183 1.926 10 10 DDCE C[C@@H](N)c1ccc(N(C)[C@@H]2CCNC2=O)c(Br)c1 1916798673 GMRSOZDJSQCIJT-PRHODGIISA-N 312.211 1.794 10 10 DDCE Cc1ccc(C(=O)N2[C@H](C)CC[C@H](C(N)=O)[C@H]2C)c(O)c1O 1163553228 OAPSGFLHWPDBLH-MXWKQRLJSA-N 306.362 1.521 10 10 DDCE Cn1ncc(C(=O)NCc2cccc(O)c2O)c1-n1cccc1 1176565658 OCUZLWWRBVGVDD-UHFFFAOYSA-N 312.329 1.552 10 10 DDCE CNCc1ccc(N2[C@H]3CC[C@H]2C(=O)NC3)cc1Br 2115749470 KRTJQHOOBNZGIV-AAEUAGOBSA-N 324.222 1.636 10 10 DDCE CC(C)CN1N=C(C(=O)NCc2cc(O)ccc2O)CCC1=O 1455357578 TYEGLPBLJYWVFA-UHFFFAOYSA-N 319.361 1.348 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc([C@@H](C)O)s1 1296247499 VEFZRQNLBNOULP-DTWKUNHWSA-N 322.386 1.969 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1cn(C2CCC2)nn1 1452688586 ZVVAQEJJTUSKBW-UHFFFAOYSA-N 302.334 1.273 10 10 DDCE COc1ccc(CNC2(CNC(=O)[C@H](C)OC)CC2)cc1C 1483720592 ZGKQNLVCTWKSCP-ZDUSSCGKSA-N 306.406 1.777 10 10 DDCE Cc1nn(C)c(C)c1OCC(=O)NCc1c(O)cccc1O 1558533384 FAHAUNXPQMHXNB-UHFFFAOYSA-N 305.334 1.143 10 10 DDCE COc1n[nH]c(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 1636377252 SEXLDVWBEBRDKH-UHFFFAOYSA-N 306.303 1.692 10 10 DDCE CC(C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cnn(C)c1 1653137002 MWDKRBJCTAGFEL-MRXNPFEDSA-N 303.362 1.887 10 10 DDCE C[C@H](NC(=O)COc1ccc(C(N)=O)cc1)c1ccccc1O 1587446906 BRZVSHOECSTSDP-NSHDSACASA-N 314.341 1.747 10 10 DDCE C[C@H](NC(=O)N[C@H](CO)[C@@H]1CCOC1)c1ccc(N(C)C)cc1 1681551804 IWFMIQIHEZAJDS-JGGQBBKZSA-N 321.421 1.510 10 10 DDCE CN(C)[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 154625834 JCLNWZIUWBOFMO-NSHDSACASA-N 314.480 1.971 10 10 DDCE O=C(CCN1C(=O)CSC1=S)NCc1ccccc1F 1865765177 TWBBRLDGIDBGGW-UHFFFAOYSA-N 312.391 1.692 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H](C)[C@@H](C)C(=O)O)CC2)cc1 322918799 KFTPALUCWDEEBE-CHWSQXEVSA-N 320.389 1.701 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1CCn2nnnc2C1 1875667429 SQCYFFWRYQOWBJ-SECBINFHSA-N 314.176 1.790 10 10 DDCE C[C@H]1C[C@H](CNCc2cc(F)ccc2O)CCS1(=O)=O 1966090944 PPQVDIRIUWZMKD-WDEREUQCSA-N 301.383 1.834 10 10 DDCE C[S@@](=O)C1CN(c2ccc(CN)cc2Br)C1 1981170792 SFOYUHJHEGJRNH-MRXNPFEDSA-N 303.225 1.475 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1982384639 IQEQOBYKZIEASR-JZRPKSSGSA-N 324.421 1.801 10 10 DDCE OCC(CO)CCNCc1c(O)cccc1Br 2012425568 SQWNBOIGIFCQBI-UHFFFAOYSA-N 304.184 1.235 10 10 DDCE CNCc1ccc(N2CC[C@](O)(CO)C2)c(Br)c1 314412431 PSVKRWJNWVJDPV-CYBMUJFWSA-N 315.211 1.102 10 10 DDCE CCS(=O)(=O)C[C@](C)(CN)N(C)c1ccc(OC)cc1 2170566239 JXSZQXPKNPZZNG-AWEZNQCLSA-N 300.424 1.284 10 10 DDCE CNCc1ccc(N2CC[C@H](NS(C)(=O)=O)C2)cc1Cl 703137975 MDWWXVMOQAUMBK-NSHDSACASA-N 317.842 1.187 10 10 DDCE COc1ccc(N2CC(CS(=O)(=O)C(F)F)C2)c(N)c1 2173180242 WBIUSPJDPWIWTR-UHFFFAOYSA-N 306.334 1.351 10 10 DDCE Oc1ccc([C@@H](NCC2OCCO2)c2ccccc2)c(O)c1O 2196083024 WHPBEUPCXQSZHN-HNNXBMFYSA-N 317.341 1.855 10 10 DDCE NCc1ccc(N2C[C@@H](F)[C@H](CO)C2)c(Br)c1 1907658238 OHYUCTVUYQKNCJ-GXSJLCMTSA-N 303.175 1.674 10 10 DDCE COC(=O)[C@@H](C)CS(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 2183615921 IQIBKMJQYXOKBT-VIFPVBQESA-N 304.372 1.148 10 10 DDCE C[C@H](N)c1ccc(N2CC(NC(N)=O)C2)cc1Br 2044813336 UYACNAUSTGRQCQ-ZETCQYMHSA-N 313.199 1.326 10 10 DDCE NCc1cc(F)c(N2CCO[C@@H]3C[C@H](O)C[C@H]32)cc1Cl 2185303759 BWWYJRBTYRDRDJ-OWYVNGRQSA-N 300.761 1.666 10 10 DDCE OCc1ccc(N2CCO[C@@H]3COC[C@@H]32)c(Br)c1 2072505598 DLCIMWBWKUJSRV-QWHCGFSZSA-N 314.179 1.545 10 10 DDCE CC1(C)OC[C@H](NCc2c(O)cccc2Br)[C@H]1O 2078740811 ZCZORCGROGJLFV-CMPLNLGQSA-N 316.195 1.783 10 10 DDCE CN(Cc1nn(C)nc1Br)c1ccc(CO)cc1 2219794413 OTRBJPQMYPSGPI-UHFFFAOYSA-N 311.183 1.706 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CC(F)(F)CCN2)s1 2269093420 CMKDTEFAGZLMLS-QMMMGPOBSA-N 307.391 1.869 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H](C)C[C@@H]2C(=O)O)s1 2284544342 OIFYLEUVEACRQF-IONNQARKSA-N 315.420 1.870 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)Nc1cnn(-c2ncccn2)c1 2307987920 UFAHDQDXZSSIOX-UHFFFAOYSA-N 323.312 1.725 10 10 DDCE COc1cccc(O)c1CNc1nn(C)nc1Br 2320064753 ZYAGWHBDGAFBAH-UHFFFAOYSA-N 313.155 1.904 10 10 DDCE CO[C@@H]1COCCN(c2ccc(CN)cc2Br)C1 2326647973 VVVJBQJGQNVYPO-NSHDSACASA-N 315.211 1.759 10 10 DDCE COc1ccc(N2CCN(C(=O)Nc3cn[nH]c3)CC2)cc1 57029156 PKSUTHMDKBKJDP-UHFFFAOYSA-N 301.350 1.772 10 10 DDCE O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1CCOC1 179033157 NYQIDHZUJASSFN-VFQAQYNWSA-N 302.374 1.442 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCC[C@@H](Cn3ccnn3)C2)c1 119283167 WTOILGGKUYSENE-GFCCVEGCSA-N 317.349 1.804 10 10 DDCE COC(=O)COc1ccc(N(C)C[C@H](O)C(F)(F)F)cc1 183998841 GWBSCJBWWBUQSL-NSHDSACASA-N 307.268 1.598 10 10 DDCE O=S(=O)(C(F)F)[C@H]1CCN(Cc2c(O)cccc2F)C1 2368505650 OXMNDHOPQTVIQX-QMMMGPOBSA-N 309.309 1.743 10 10 DDCE CC[C@@H](C)NCC(=O)N1CCN(c2ccc(OC)cc2)CC1 243035708 ICRQXUAYASYLEA-CQSZACIVSA-N 305.422 1.732 10 10 DDCE COc1cccc(CNS(=O)(=O)Cc2cc(C)on2)c1O 265857096 ZTNCTPPLTIFORO-UHFFFAOYSA-N 312.347 1.317 10 10 DDCE C[C@@H]1C[C@H]1N1C[C@H](NCc2ccc(N(C)C)c(F)c2)CC1=O 363414547 OMIBMUWKKGXBBZ-AXAPSJFSSA-N 305.397 1.991 10 10 DDCE CC[C@H](CO)N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 271172694 FZLSDHVOUXQVRL-OAHLLOKOSA-N 309.429 1.780 10 10 DDCE COc1ccc(N2CCN(C[C@H](O)COCC(C)C)CC2)cc1 298194824 CIHSCWYKBYTHJX-KRWDZBQOSA-N 322.449 1.851 10 10 DDCE C[C@@H]1C[C@H](CO)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 398808804 QLDIEDLDUZJWNC-ZJUUUORDSA-N 321.333 1.380 10 10 DDCE CCN(C(=O)/C=C/c1cncc(C(=O)NC)c1)c1cnn(C)c1 848342071 GUZLTBVHDMAKGJ-AATRIKPKSA-N 313.361 1.241 10 10 DDCE CC(C)(C)OC(=O)N[C@@]1(c2c(O)cccc2O)C[C@H]1C(=O)O 1952760609 GTZQMBNPDYEHFM-AYVTZFPOSA-N 309.318 1.922 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CCOCC3)C2)cc1 849416309 ONTAFNKEJIDMMD-CYBMUJFWSA-N 305.378 1.316 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](N)C[C@H]1c1ccc(O)c(O)c1O 1952528256 PZPXJXHPNHKBDH-SCZZXKLOSA-N 310.350 1.813 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3COC[C@H]3C2)cc1 852668033 UNQUWXGDHBFULU-HZPDHXFCSA-N 317.433 1.337 10 10 DDCE CCO[C@H](CS(=O)(=O)NCCc1ccc(N)cc1)C1CC1 858609794 AOJCQJBWFYZMTO-OAHLLOKOSA-N 312.435 1.546 10 10 DDCE O=S1(=O)CCCN1CCCNCc1cccc(Cl)c1O 776173810 NQUJNCDWDXVSCR-UHFFFAOYSA-N 318.826 1.561 10 10 DDCE CCN(CC)c1ccc(CNC2(C(=O)NC)CCOCC2)cc1 895883470 GFONJNGRYWTZMO-UHFFFAOYSA-N 319.449 1.918 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@@]23CCCN(CC2)C3)cc1F 895979920 BBQGWNOGPGUKOR-KRWDZBQOSA-N 305.397 1.994 10 10 DDCE CCN(CC(=O)N(C)C)C(=O)c1cc2cc(O)c(O)cc2s1 895717800 SZXSLPRAHPCIKY-UHFFFAOYSA-N 322.386 1.863 10 10 DDCE O=C(O)CN(Cc1ccccc1)C(=O)c1cc(O)nc(O)c1 692433749 VJXFOIPBHYLPNF-UHFFFAOYSA-N 302.286 1.220 10 10 DDCE CN(Cc1cccc(Cl)c1O)C[C@@H]1CCS(=O)(=O)C1 775713437 NZBFEEHOWRDUCW-JTQLQIEISA-N 303.811 1.912 10 10 DDCE CN1C(=O)C(=Cc2cnn(CC3CCC3)c2)C(=O)N(C)C1=O 899335396 BLIRFVVQOBUAQT-UHFFFAOYSA-N 302.334 1.117 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCC2(C1)OCCO2 1225108664 XSZNMBNCLTWCKK-SNVBAGLBSA-N 310.325 1.626 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCNC(=O)CC1 1324539879 CKBCEBUJZICHNB-CMPLNLGQSA-N 306.362 1.061 10 10 DDCE COc1ccc(CNCCCN(C)C(=O)c2cnn[nH]2)cc1C 1322591400 JMOWPUSNRPOZER-UHFFFAOYSA-N 317.393 1.374 10 10 DDCE CC[C@H]1C[C@@](NCCN=[N+]=[N-])(C(N)=O)CN1Cc1ccccc1 1912199635 VMHAAGRMIJLJTF-HOCLYGCPSA-N 316.409 1.795 10 10 DDCE CSC[C@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1351905957 FSSZLYRXONIKAH-GFCCVEGCSA-N 320.414 1.588 10 10 DDCE C[C@H](O)c1ccc(N2CC(CO)(CO)C2)c(Br)c1 1914980097 OFIWHTFXMSWLDC-VIFPVBQESA-N 316.195 1.293 10 10 DDCE NC(=O)COc1cccc(C(=O)NCc2c(O)cccc2F)c1 1456082274 AQZBKQIXBXKSPB-UHFFFAOYSA-N 318.304 1.325 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cc(Cn2cccn2)on1 1299573294 JIPQYWZBOBQLKU-UHFFFAOYSA-N 314.301 1.261 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ccc(C)nn2)c1 1532302212 FPFPCDVARWLZLK-FNORWQNLSA-N 311.345 1.216 10 10 DDCE O=C(NCc1cnc(Br)cn1)c1cccc(O)c1O 1627400141 TVAVGPMKGRYKOO-UHFFFAOYSA-N 324.134 1.580 10 10 DDCE C[C@@H](NC(=O)Cn1nnnc1-c1ccccc1)c1ccccc1O 1557967471 DGVFISVIWIXCPB-GFCCVEGCSA-N 323.356 1.923 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)[C@@H](O)c1cnn(C)c1 1634012389 NWOYYLWKWHKJIU-INIZCTEOSA-N 317.389 1.988 10 10 DDCE O=C(NCc1cccc(Cl)c1O)C1=CS(=O)(=O)CCC1 1647830386 UNHCGVRHUZVNFG-UHFFFAOYSA-N 315.778 1.754 10 10 DDCE CC(=O)c1ccc(C(=O)NCc2cccc(O)c2O)cc1O 1644710836 LATOVMPWAGMLDU-UHFFFAOYSA-N 301.298 1.936 10 10 DDCE CCOC(=O)C[C@H](O)CN(C)CCN(C)c1ccc(OC)cc1 1659281013 NKGAYPJEGAEFDG-HNNXBMFYSA-N 324.421 1.377 10 10 DDCE C[C@H](CCNC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043227 OKWXOSHVUZBBML-IJLUTSLNSA-N 312.410 1.803 10 10 DDCE NC(=O)COC(=O)CCn1c2c(c3ccccc31)CCCC2 1849312379 ATDAVGGBVHXBFF-UHFFFAOYSA-N 300.358 1.939 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CCF)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1974895927 QRRCYSWRUCVEJU-GMTAPVOTSA-N 316.373 1.505 10 10 DDCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1ccc(N)cc1 1993287716 HAOSFIOVXIEARP-ZWNOBZJWSA-N 323.393 1.159 10 10 DDCE COc1cc(Cl)cc(CNC[C@@H]2COC[C@H]2OC)c1O 2154124408 IWQHJJRVOJUICZ-ZWNOBZJWSA-N 301.770 1.805 10 10 DDCE C[C@@H](N)c1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 61695830 ADVFVBHJPPWLRP-MWLCHTKSSA-N 302.827 1.983 10 10 DDCE C[C@H]1N(Cc2ccccc2)CC[C@]1(NCCN=[N+]=[N-])C(N)=O 309864361 DZSMPMKBEFSNRA-IUODEOHRSA-N 302.382 1.405 10 10 DDCE CN(Cc1cc(F)cc(F)c1O)C1CCS(=O)(=O)CC1 708440485 BWVHXHDWBOAPHJ-UHFFFAOYSA-N 305.346 1.679 10 10 DDCE COC(=O)C=Cc1ccc(N2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 2053552182 JUWDLEYIBLVHQQ-ZDUSSCGKSA-N 320.345 1.990 10 10 DDCE O=S1(=O)CCC[C@H]1CCNCc1ccc(F)c(F)c1O 714326453 BREFGYZGXCPPIC-JTQLQIEISA-N 305.346 1.727 10 10 DDCE CCCS(=O)(=O)C[C@@H](C)N[C@H](C)c1c(O)cccc1O 2170588888 CINJVBDZRHHFSU-GHMZBOCLSA-N 301.408 1.962 10 10 DDCE COC1(OC)CN(c2ccc(CN)c(Br)c2F)C1 2074605178 KAEOWVARYDKSRC-UHFFFAOYSA-N 319.174 1.856 10 10 DDCE CCNC[C@H](C)NCc1cc(Br)c(O)cc1O 2248033676 UBCQDYBJCINQNI-QMMMGPOBSA-N 303.200 1.948 10 10 DDCE CC(C)(CCO)NC(=O)C=Cc1ccc(N2CCOCC2)cc1 2305264630 JJHWVZXWJRUVIR-UHFFFAOYSA-N 318.417 1.814 10 10 DDCE OCC[C@@H](O)CCNCc1cccc(Br)c1O 2306874508 QSGOHQYEAQPISE-JTQLQIEISA-N 304.184 1.378 10 10 DDCE CNC1(C(=O)NCc2ccc(C)c(Br)c2O)CC1 2327583492 MUSHBCYLIUVRNS-UHFFFAOYSA-N 313.195 1.831 10 10 DDCE CSc1ncc(CN[C@@](C)(C(=O)O)[C@@H]2CCCO2)s1 2350654670 FGVJLWXOJXCMQE-JOYOIKCWSA-N 302.421 1.977 10 10 DDCE Cc1nn(-c2ccccc2)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O 4334740 KZCXRDMKBJEELN-UHFFFAOYSA-N 324.340 1.615 10 10 DDCE Nc1ncc(C(=O)NCCc2ccc(O)c(O)c2)cc1Cl 122741233 BZRFQEUJUUVAQY-UHFFFAOYSA-N 307.737 1.701 10 10 DDCE CN1CCCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CC1 314113044 NUOHQQROUCTVCO-XQRVVYSFSA-N 305.334 1.835 10 10 DDCE CN(Nc1nc([C@H]2C[C@@H]2C(=O)O)cs1)S(=O)(=O)C1CC1 2365270443 FRLQQYQKCHOROZ-YUMQZZPRSA-N 317.392 1.082 10 10 DDCE COc1cccc(CN2CCN(c3ccnc(C)n3)CC2)c1O 184762539 LAOQRXNELSGNPF-UHFFFAOYSA-N 314.389 1.821 10 10 DDCE C[C@@H](O)CN(C)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 221246154 PXRPPBQMVLEZOU-KSBSHMNSSA-N 314.183 1.218 10 10 DDCE N=[N+]=CC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 96295152 BAAMNSBTMNZWBE-OAHLLOKOSA-N 320.328 1.773 10 10 DDCE CCNC(=O)CN(C)c1ccc(CN)c(Br)c1F 231839436 HRVLPEQUUMDYTO-UHFFFAOYSA-N 318.190 1.619 10 10 DDCE CCOCCN1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C 247001629 GRAZFFDVZSLNAV-CYBMUJFWSA-N 322.405 1.664 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1[C@H]2OCCC[C@@H]21 355631140 FVZVYQFVOPUNHY-WQVCFCJDSA-N 302.374 1.903 10 10 DDCE COC[C@@]1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CCOC1 828885156 WSUBROXZVKZCIN-ZBEGNZNMSA-N 309.362 1.198 10 10 DDCE COc1ccc(N2CCN(C(=O)O[C@@H]3CCOC3)CC2)cc1 913832768 FCTHHWSIMCUVIN-OAHLLOKOSA-N 306.362 1.743 10 10 DDCE COCC(=O)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835024690 BCYRKGMITRNWHH-PLNGDYQASA-N 317.433 1.556 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@](C)(O)C3CCC3)C2)cc1 855226934 RCTDIWSUGUBHKC-KDOFPFPSSA-N 318.417 1.941 10 10 DDCE CC(C)(C(=O)O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 852956932 KPSWEUGVFBLGRI-UHFFFAOYSA-N 320.389 1.375 10 10 DDCE CCOC(=O)[C@H](CC1CC1)NCc1cc2c(cc1O)OCO2 753569524 PMEKFVITXBGQBR-LBPRGKRZSA-N 307.346 1.942 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 856463755 FRWVVAWUMWLEOR-KHACHSCGSA-N 303.358 1.730 10 10 DDCE COc1cccc(CNC(=O)NCc2cccnc2F)c1O 793297144 XHWKSSOIETXVCC-UHFFFAOYSA-N 305.309 1.934 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@H](c3cn(C)nn3)C2)c(O)c1O 1305212337 YBYISUCZCZYGEN-NSHDSACASA-N 316.361 1.555 10 10 DDCE Cc1cccc2cc(/C=C3/C(=O)NC(=S)N=C3O)c(=O)[nH]c12 118528 DROUYBNMXJZHJE-UHFFFAOYSA-N 313.338 1.591 10 10 DDCE O=C(NCC1(CC2CC2)CC1)C(=O)N1Cc2cccc(O)c2C1 1350506542 OUMQQTYCMZFFNE-UHFFFAOYSA-N 314.385 1.931 10 10 DDCE CCOC(=O)CCS(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 1912186611 BAWOEMMLWJTNDV-UHFFFAOYSA-N 304.372 1.292 10 10 DDCE CN(CCN=[N+]=[N-])S(=O)(=O)c1cc([N+](=O)[O-])ccc1F 1912199272 QJIGPOBRTFZELS-UHFFFAOYSA-N 303.275 1.665 10 10 DDCE CC(C)(C)[S@](C)(=O)=NC[C@H](O)COc1ccc(N)cc1 1913860175 BECZPAPAFQIXFX-YUNKPMOVSA-N 300.424 1.905 10 10 DDCE Cn1nc(C(=O)NCc2ccc3cccnc3c2O)cc1C=O 1299724659 GMDCYGZYZODZTO-UHFFFAOYSA-N 310.313 1.416 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc2cccnn12 1296247404 UIUPGVSFOLRIPL-JTQLQIEISA-N 312.329 1.502 10 10 DDCE CC(C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)N1CCOCC1 1623745165 BCZKEQZGFSGIGI-CQSZACIVSA-N 322.405 1.113 10 10 DDCE C[C@H](OCc1ccncc1)C(=O)NCc1c(O)cccc1O 1647290827 UIWAZEXWDSQCTL-NSHDSACASA-N 302.330 1.714 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC3CSC3)C2)cc1 1674326144 HKIBDXCLPBHHAE-LLVKDONJSA-N 307.419 1.689 10 10 DDCE O=C1CN(c2ccc(CNC3CC3)c(Br)c2)CCN1 232453508 MXGYJQSJJKOPGF-UHFFFAOYSA-N 324.222 1.637 10 10 DDCE NC(=O)C[C@H](N)C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1 1866106232 PUTVRWMJQNVVFT-AWEZNQCLSA-N 314.345 1.202 10 10 DDCE C[C@H]1SCCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 1889198822 PNMDTSBZOLJBHE-MFKMUULPSA-N 300.449 1.972 10 10 DDCE CCN(CC)S(=O)(=O)C[C@@H](O)CCc1ccc(N)cc1 2145732775 WOWWPKWYJAEJJJ-AWEZNQCLSA-N 300.424 1.234 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](CO)N[C@@H]1CCc2cccc(O)c21 1985775599 KSSVKRHJDFEPSW-QWHCGFSZSA-N 322.405 1.855 10 10 DDCE CCc1cccc(CNC[C@H](O)CNC(=O)OC(C)(C)C)c1O 1985775987 PQSLLSWVFSDTFE-AWEZNQCLSA-N 324.421 1.930 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H](O)[C@H]3C2)cc1Br 2033981905 XGZATDMHBBKNMP-JKOKRWQUSA-N 311.223 1.986 10 10 DDCE CNCc1ccc(OC)c(C[S@](=O)CCC[S@@](C)=O)c1 320458691 YKHGOFHYBIFRQD-WOJBJXKFSA-N 317.476 1.432 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCN4CCCC[C@@H]4C3)c2n1 2063654433 SSYUDFYVAASDQZ-GFCCVEGCSA-N 315.377 1.054 10 10 DDCE O=C(O)Cc1cc(O)n2nc(-c3ccccc3)c(C(=O)O)c2n1 2080933459 LUORKEVXOGWRFM-UHFFFAOYSA-N 313.269 1.427 10 10 DDCE Oc1ccc(Br)cc1CNCC[C@@H]1COC[C@H]1O 2048706808 PZXLIKCEZXUMGH-NOZJJQNGSA-N 316.195 1.642 10 10 DDCE CN(C)CCCNCc1cc(Br)c(O)cc1O 2248028275 HQCRONOVTFKCIQ-UHFFFAOYSA-N 303.200 1.902 10 10 DDCE COCCCNC(=O)[C@@H](C)NCc1cnc(SC)s1 2269093266 MXKACIXBVPULKV-SECBINFHSA-N 303.453 1.496 10 10 DDCE Cc1ccnc(NC=C2C(=O)NC(=S)N(CC(C)C)C2=O)c1 2295113218 PFHDIKLKABWYPT-UHFFFAOYSA-N 318.402 1.585 10 10 DDCE CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C=Cc1ccc(O)c(O)c1 2307987014 WXSGDLCNOAMMAN-GHMZBOCLSA-N 306.362 1.530 10 10 DDCE CC1(C)COCCN1CCNC(=O)C=Cc1ccc(O)c(O)c1 2308000724 NOOLZCBWTLSVHA-UHFFFAOYSA-N 320.389 1.338 10 10 DDCE CSc1ncc(CN[C@H]2CC[C@H](S(C)(=O)=O)C2)s1 2314906430 YVPXSFRPTVJYAX-WPRPVWTQSA-N 306.478 1.920 10 10 DDCE CC(C)N(Cc1ccc(N)cc1)C(=O)C(C)(C)S(C)(=O)=O 70127332 UFPLJTGAJQKZJC-UHFFFAOYSA-N 312.435 1.829 10 10 DDCE O=C1CC[C@H](NCc2cc(Br)ccc2O)C(=O)N1 236616752 YIXAYHSXDHIWJF-VIFPVBQESA-N 313.151 1.050 10 10 DDCE Cc1cc(C(=O)NC[C@@H]2CNC[C@H]2O)c(C)n1-c1ccccc1 262146298 HMCAVEQSSBCKGS-WMLDXEAASA-N 313.401 1.404 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(Cn2nc(C)cc2C)c1 808510813 JTXPZMLQYSGQMP-UHFFFAOYSA-N 314.341 1.863 10 10 DDCE CN(C)c1ccc(CNC(=O)NCCc2cn[nH]c2)cc1F 290966090 SGYDWZVIZMIVCM-UHFFFAOYSA-N 305.357 1.657 10 10 DDCE O[C@]1(C(F)F)CCN(Cc2ccc(N3CCOCC3)cc2)C1 824726996 ZNFCMMHICPFDMS-MRXNPFEDSA-N 312.360 1.725 10 10 DDCE CC(=O)C(=O)COC(=O)c1ncccc1C(=O)OC(C)(C)C 820834564 WPFGLTQLAKYPCM-UHFFFAOYSA-N 307.302 1.352 10 10 DDCE CCOc1ccc(CNC[C@@H]2CCCCN2CCO)c(O)c1 824583799 QZYHPSLCINHZDJ-HNNXBMFYSA-N 308.422 1.727 10 10 DDCE Cc1cc(CC(=O)N2CC(=O)N(C)C2)c(C)n1-c1ccccc1 831711927 OOJCLPIHIGMBQJ-UHFFFAOYSA-N 311.385 1.895 10 10 DDCE CN(C)c1ccc(/C=C/CN2CC[C@@H](S(C)(=O)=O)C2)cc1 835050212 QBGFEKGJYULYSZ-DWTRPJMMSA-N 308.447 1.885 10 10 DDCE COc1cc(C)cc(CN2CC[C@H](CN3CCOC3=O)C2)c1O 840096301 RSACPGNMPOKKPR-ZDUSSCGKSA-N 320.389 1.983 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@H](C)N(CCO)C[C@@H]2C)c1O 842163783 SJYYQMFPBQMNDZ-RYUDHWBXSA-N 324.396 1.621 10 10 DDCE CN(C)c1nc(CN(C)c2ccc(OCC(=O)O)cc2)ns1 846280268 WLENIPKUNDYUAW-UHFFFAOYSA-N 322.390 1.704 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(CC3CC3)C2)c1 857409623 PRCGFGXZUJJDFL-UHFFFAOYSA-N 324.402 1.636 10 10 DDCE COC[C@@]1(C)CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1 863342503 FBTCCMHRPMRSHA-GDBMZVCRSA-N 309.362 1.055 10 10 DDCE O=C(CCN1CCCC1=O)NCc1ccc2cccnc2c1O 862027914 JTEOEVYWRWPBAR-UHFFFAOYSA-N 313.357 1.569 10 10 DDCE O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53)c1cc(O)cs1 787928760 YXELWRQZOGKZMY-XDVRQUEWSA-N 317.410 1.692 10 10 DDCE Cc1cnc2c(cnn2CC(=O)N2Cc3cccc(O)c3C2)c1 1302788160 KTNDOELSIWOGTB-UHFFFAOYSA-N 308.341 1.988 10 10 DDCE COC(=O)/C=C\c1ccc(N2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 1324210383 MHDHXUDPFOHDLD-PKXJPQMGSA-N 318.329 1.742 10 10 DDCE CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(O)c1O 1263894611 OCWISKJIFBBFOC-CYBMUJFWSA-N 320.389 1.751 10 10 DDCE CN1CCN(c2ccc(CN3C[C@H]4CC[C@H]3CN4)cc2F)CC1 1348835212 VGDXNCDVANLSAX-CVEARBPZSA-N 318.440 1.514 10 10 DDCE COc1ccccc1CN(CCO)C(=O)c1cccc(O)c1O 1295238690 YVFOCYPSNVDUDG-UHFFFAOYSA-N 317.341 1.741 10 10 DDCE CCCC(=O)NC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 1472488302 DIWFCVNDAPNEEN-UHFFFAOYSA-N 324.352 1.758 10 10 DDCE O=C(COc1ccc(CO)cc1)NCc1c(O)cccc1O 1639292635 LDQRPGLUZVTAJF-UHFFFAOYSA-N 303.314 1.285 10 10 DDCE COc1c(O)nc(O)nc1C(=O)N[C@@H](C)c1ccccc1O 1632250601 XSEDNFLEPCMWKZ-ZETCQYMHSA-N 305.290 1.093 10 10 DDCE CSCCCCNS(=O)(=O)CCOc1ccc(N)cc1 229179471 FGASAWLAKQZSES-UHFFFAOYSA-N 318.464 1.710 10 10 DDCE Cc1nc(N(C)C)sc1C(=O)NCc1cc(O)ccc1O 1637126393 XDZZLOHAAOYCSG-UHFFFAOYSA-N 307.375 1.859 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2ccncn2)cc1C 1497944394 HLHCODCTINWUQE-CYBMUJFWSA-N 314.389 1.702 10 10 DDCE Cc1c(C(=O)NCc2cc(O)ccc2O)nnn1-c1ccccc1 1633595462 XCOLVFOMGMMQCN-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE CCN1CC[C@@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 1597089907 KIUIECOFXDXHGW-HZPDHXFCSA-N 318.417 1.994 10 10 DDCE CC[C@H]1SC(=S)N(CCC(=O)NC[C@@H]2CCCO2)C1=O 11635843 LYJLSBASJHYCJM-VHSXEESVSA-N 316.448 1.311 10 10 DDCE C[C@](NC(=O)CCc1ccc(N)cc1)(C(=O)O)C(F)(F)F 158179775 NJHOOCYWOZJFGZ-LBPRGKRZSA-N 304.268 1.723 10 10 DDCE C[C@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1866099117 ZQSPJYUWLIGQCP-WMLDXEAASA-N 319.449 1.777 10 10 DDCE CCOC(=O)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 39647865 BKADNLZEGCRDPP-UHFFFAOYSA-N 323.304 1.964 10 10 DDCE Nc1ccc(NC(=O)N=c2nc(Br)[nH]s2)cc1 2001595868 WGKZEQNGBLHLSH-UHFFFAOYSA-N 314.168 1.949 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ccc(N)cc1 1993287713 HAOSFIOVXIEARP-GWCFXTLKSA-N 323.393 1.159 10 10 DDCE CCCS(=O)(=O)CCN(C)[C@@H](C)c1c(O)cccc1O 2170543755 GGJCZVRVPKRNOR-NSHDSACASA-N 301.408 1.915 10 10 DDCE Oc1cc2c(cc1CN[C@@H]1CCCC3(C1)OCCO3)OCO2 715642788 VOEPCTDMQVUVFP-GFCCVEGCSA-N 307.346 1.896 10 10 DDCE COC(=O)[C@H](C1CC1)S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])C1 2167086491 CJUBJHGEFKHHOZ-ZJUUUORDSA-N 302.356 1.043 10 10 DDCE CNCc1ccc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)c(F)c1 2170283433 MURMMYSPBRVFLN-GHMZBOCLSA-N 300.399 1.557 10 10 DDCE C[C@H](O)c1cc(F)c(N2CCS(=O)(=O)[C@@H](C)C2)c(F)c1 2194517958 NCLJIIXPPYZNNI-IUCAKERBSA-N 305.346 1.641 10 10 DDCE CN(CCn1cncn1)c1ccc(CO)cc1Br 2050699589 YWNHOFYKBJKGDR-UHFFFAOYSA-N 311.183 1.669 10 10 DDCE Nc1ccc(CS(=O)(=O)N2C[C@@H]3C(C(F)F)[C@H]3C2)cc1 2192278539 RFATUVGLTLUQLQ-QWRGUYRKSA-N 302.346 1.542 10 10 DDCE Nc1ccc(CCNS(=O)(=O)c2cnc(Cl)s2)cc1 2106082920 LVBHQMCPGRZQRY-UHFFFAOYSA-N 317.823 1.900 10 10 DDCE CSc1ncc(CNC(=O)[C@]2(C(=O)O)CCCCO2)s1 2284504504 NDXMNAVCRWBNBH-LBPRGKRZSA-N 316.404 1.505 10 10 DDCE C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C=Cc1ccc(O)c(O)c1 2307987188 JVSGFQVUVWFVKY-TZMCWYRMSA-N 302.374 1.806 10 10 DDCE CCOc1ncc(C=CC(=O)N(CCO)c2ccccc2)cn1 2325351416 JXPGJZZEZPXFBJ-UHFFFAOYSA-N 313.357 1.914 10 10 DDCE CNCc1cnc(S[C@@H]2CC[C@H](S(C)(=O)=O)C2)s1 2319432951 OIKGOABSRPYUHS-SCZZXKLOSA-N 306.478 1.920 10 10 DDCE C[C@H](NS(=O)(=O)c1c(Cl)cnn1C)c1ccccc1O 867836317 OBMYKEKPLWTHKY-QMMMGPOBSA-N 315.782 1.819 10 10 DDCE Cc1ccc(CNC(=O)[C@H](N)[C@@H](C)F)c(O)c1Br 2327597188 TUAYRIGIXYWQSZ-GMSGAONNSA-N 319.174 1.765 10 10 DDCE Cc1ccc(CN(C)CC[C@@H](O)CO)c(O)c1Br 2327585628 WLTKYOJQCFXGGT-LLVKDONJSA-N 318.211 1.638 10 10 DDCE CCOc1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc1OC 59860905 XPNCFZXYDHULBI-JXMROGBWSA-N 304.302 1.186 10 10 DDCE CCc1n[nH]c([C@@H]2CN(Cc3cccc(C)c3O)CCO2)n1 183415695 PPZFSZILMJQMFP-ZDUSSCGKSA-N 302.378 1.955 10 10 DDCE COc1ccccc1/C=C/C=C1C(=O)N(C)C(=O)N(C)C1=O 36376220 TXVJMKKNYDZDQE-SOFGYWHQSA-N 300.314 1.685 10 10 DDCE CC(=O)C(=O)COC(=O)CN(CC1CC1)C(=O)OC(C)(C)C 808522130 NWKDCQPBECCWFZ-UHFFFAOYSA-N 313.350 1.335 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1[C@H]2COC[C@H]21 819974926 VIOLYADPKPJDIK-FVQHAEBGSA-N 316.401 1.374 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)N3C)C2)cc1 824728873 RIBWMZOMCLVPPE-SWLSCSKDSA-N 317.389 1.011 10 10 DDCE Cc1ccc(C(=O)O[C@H]2CCN(C(C)(C)C)C2=O)c(O)c1O 820325932 JKOGCCFUVVSOHW-NSHDSACASA-N 307.346 1.962 10 10 DDCE CCOCCN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 588406511 MJGQBVAKPTYZIV-XQRVVYSFSA-N 320.389 1.292 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CNCC[C@H]1C 841824753 SNJJOXPYDUSWOC-WBMJQRKESA-N 304.438 1.858 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cnc(C)n3C)C2)cc1 912293429 WNMKSEUCMWSVSZ-ZDUSSCGKSA-N 314.389 1.746 10 10 DDCE O=C(O)CCNC(=O)NCc1cc(Br)ccc1O 840991627 YZKNHHBENPYSBF-UHFFFAOYSA-N 317.139 1.429 10 10 DDCE CC(C)(C)OC(=O)N[C@](C)(C(=O)O)c1ccc(O)c(O)c1O 1951867563 KCRVSQPCKREAHU-AWEZNQCLSA-N 313.306 1.628 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@H]2CCc3nnn(C)c3C2)c1 927864674 TZRGGVOLGCLFNV-LBPRGKRZSA-N 315.377 1.186 10 10 DDCE C[C@H](NC(=O)N[C@@H]1CCc2nnn(C)c2C1)c1ccccc1O 927864634 SFEDRNANVSNPCB-WDEREUQCSA-N 315.377 1.438 10 10 DDCE O=C1O[C@@H](CN[C@@H]2CCc3cccc(O)c32)CC12CCNCC2 925850609 VHXAPMWKCJKVAK-ZIAGYGMSSA-N 316.401 1.654 10 10 DDCE COc1ccc(O)c([C@H](C)N[C@H]2CCc3nnn(C)c3C2)c1 927143593 GSWHKCBTLYSFLG-QWRGUYRKSA-N 302.378 1.737 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1CCN(C2CCC2)C1=O 869443101 JYMNNDDJIJHFQX-ZKKXHLJNSA-N 317.341 1.808 10 10 DDCE O=S(=O)(CCCN1CCCC1)N1Cc2cccc(O)c2C1 867691447 WUGYBEUEBGJNBL-UHFFFAOYSA-N 310.419 1.524 10 10 DDCE CNC(=O)CCOC1CCN(Cc2cccc(C)c2O)CC1 775736848 MFROZYTWRJMGJN-UHFFFAOYSA-N 306.406 1.818 10 10 DDCE COC[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C1CCOCC1 783238197 RVVVVRZHYHZACT-CQSZACIVSA-N 310.350 1.832 10 10 DDCE CN(C)c1ccc(CNC(=O)NCc2ncccc2O)cc1F 792058209 JOZQMHVQTOCKNH-UHFFFAOYSA-N 318.352 1.992 10 10 DDCE C[C@H](N)c1ccc(N2CC(NS(C)(=O)=O)C2)cc1Cl 703157800 NHWQCBOIXUTDMD-QMMMGPOBSA-N 303.815 1.098 10 10 DDCE COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)c(O)c1 794377906 NDQHUYXQXPLCSY-UHFFFAOYSA-N 303.274 1.634 10 10 DDCE COc1cc(CC(=O)NCc2cccc(O)c2O)ccc1O 1153797501 AJOCIQIEZQZLCE-UHFFFAOYSA-N 303.314 1.671 10 10 DDCE C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1 1912167862 QAYOCQSCPFSFJW-VXGBXAGGSA-N 301.416 1.985 10 10 DDCE O=C1O[C@H](C(=O)NCc2ccc(O)cc2O)Cc2ccccc21 1299571151 RIOFUVJLUFTOGN-HNNXBMFYSA-N 313.309 1.496 10 10 DDCE CCOCCOC1CCN(C(=O)c2cccc(O)c2O)CC1 1544371002 HHNRTELFNUKVQJ-UHFFFAOYSA-N 309.362 1.756 10 10 DDCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H]1CCCc2c1cnn2C 1545933510 NIGHHVJMFKILHF-ZDUSSCGKSA-N 315.373 1.910 10 10 DDCE CN1CCC[C@H]1c1cc(C(=O)NCc2ccc(O)c(O)c2)n[nH]1 1622643929 ZWSNIWUIECYZMH-ZDUSSCGKSA-N 316.361 1.518 10 10 DDCE C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H](CO)O1 1625294265 GVIGWVONCRBXFN-SKDRFNHKSA-N 306.322 1.071 10 10 DDCE C[C@@H](NC(=O)c1cccc(O)c1O)c1noc(C(F)(F)F)n1 1557140184 BZCJKXYJASWIRU-RXMQYKEDSA-N 317.223 1.991 10 10 DDCE C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1O 1635799159 RETDJXVTWCWFLV-JTQLQIEISA-N 304.306 1.764 10 10 DDCE CN1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc(O)c(O)c2)C1 1588289204 ARAYSCREYVMPOP-ZIAGYGMSSA-N 304.390 1.583 10 10 DDCE O=C(CN1CCOCC1)NCc1c(O)ccc2ccccc12 1597736258 ADDQRGWZBWKAKW-UHFFFAOYSA-N 300.358 1.494 10 10 DDCE C[C@@H]1SC(=S)N(CCC(=O)NCCc2ccccc2)C1=O 11636014 GQABKCOICHTSER-NSHDSACASA-N 322.455 1.984 10 10 DDCE CN1CCN(CCCN=[N+]=[N-])[C@H](CNC(=O)OC(C)(C)C)C1 1962287272 HHLGJUZKERNEDB-GFCCVEGCSA-N 312.418 1.828 10 10 DDCE COC(=O)C1(Nc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1 1977665506 ZRNMQUDTAIYITM-UHFFFAOYSA-N 321.377 1.843 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCCN(C)C3CCCC3)c2n1 2064147229 LMQCKSXFWSDKKH-UHFFFAOYSA-N 317.393 1.348 10 10 DDCE NC[C@@H]1C[C@H](O)CN1Cc1cc(Br)cc(F)c1O 2067383886 VUWRELQFMLWFOO-UWVGGRQHSA-N 319.174 1.188 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@@H]3[C@H]2CO)c(Br)c1 2078275908 WMVJDLVDZNWYKQ-COPLHBTASA-N 311.223 1.986 10 10 DDCE C[C@@H](Oc1ccccc1C=C1SC(=S)N(N)C1=O)C(=O)O 2294874692 OOBSADJVOVDEJE-SSDOTTSWSA-N 324.383 1.613 10 10 DDCE COCCn1c(C)cc(C=C2C(=O)NC(=S)N(C)C2=O)c1C 2297366026 SQUWNLABMQUADQ-UHFFFAOYSA-N 321.402 1.008 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)C[C@@H](N)C2(C)C)s1 2347087524 RWWJYKUDAMKLRE-PRHODGIISA-N 301.437 1.535 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)Cn2cncn2)c1 103613584 ZZKOFLCVDVBSSR-GHMZBOCLSA-N 319.365 1.441 10 10 DDCE CN(c1ccc(CO)cc1F)[C@H]1CC[C@@H](S(C)(=O)=O)C1 2361700880 CDVKKOZDYGWLAF-NWDGAFQWSA-N 301.383 1.720 10 10 DDCE CN(CC(=O)NC1CC1)c1ccc(CN)c(C(F)(F)F)c1 36791850 DXBNXLCWDFYCHF-UHFFFAOYSA-N 301.312 1.879 10 10 DDCE Cc1ccc([C@@H](C)NCCNS(=O)(=O)C(F)F)c(O)c1 1964518218 ZMKRAIHQXLOCMV-SECBINFHSA-N 308.350 1.493 10 10 DDCE CN(C)c1ccc(/C=C/C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 41530344 RXEPJKCNLOLNFZ-LJLILKBBSA-N 308.403 1.069 10 10 DDCE Cc1nc2n(n1)CCC[C@@H]2NC(=O)N(C)Cc1ccccc1O 83740348 IIYRQLKYWVUGLV-ZDUSSCGKSA-N 315.377 1.969 10 10 DDCE CCc1n[nH]c(=O)c(CNCc2cccc(OC)c2O)c1CC 194648574 ZWJNXRPXBZFKTN-UHFFFAOYSA-N 317.389 1.899 10 10 DDCE CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@]2(CCOC2)O1 366283550 NGHXYQZSQPIKHR-CXAGYDPISA-N 321.373 1.891 10 10 DDCE CCOc1ccc(O)c(CN2CCC[C@H](S(C)(=O)=O)C2)c1 274075173 GEYNFFQPZSOEQQ-AWEZNQCLSA-N 313.419 1.800 10 10 DDCE CC(=O)C(=O)COC(=O)C1(NC(=O)OC(C)(C)C)CCCC1 808515421 PPQBPCCIJYIMRG-UHFFFAOYSA-N 313.350 1.525 10 10 DDCE CCn1nnc(C)c1C(=O)NCc1ccc(N(C)C)c(F)c1 294603891 DAEZCYHRAKLJFF-UHFFFAOYSA-N 305.357 1.742 10 10 DDCE Nc1ccc(CCNCc2cnnn2[C@@H]2CCCNC2)cc1 903915348 BCYCBFSBIXNIOM-OAHLLOKOSA-N 300.410 1.117 10 10 DDCE CN1C[C@@H](O)C[C@]1(C)C(=O)NCCCSc1nccs1 900683784 RUVUUFKWWBHUSD-GXFFZTMASA-N 315.464 1.197 10 10 DDCE CN1CCN(c2ccc(CN[C@@H]3CNCCC3(F)F)cc2)CC1 841075690 UUJODLKYKJSUAA-MRXNPFEDSA-N 324.419 1.525 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)O[C@H]1CNOC1 922912076 CZXIFNOZUVHNCS-WFASDCNBSA-N 307.394 1.622 10 10 DDCE COC(OC)[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 922311291 DHMWPCZKADVKMR-LBPRGKRZSA-N 312.385 1.759 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCC[C@H]3N)C2)cc1 852844023 NJORONTVJAAMIS-GRDNDAEWSA-N 317.433 1.908 10 10 DDCE CCn1ncc(CNCc2ccc(N3CCOCC3)cc2)n1 858204760 LONCRTFQFILLMB-UHFFFAOYSA-N 301.394 1.424 10 10 DDCE O=C(NCc1ccccc1O)c1cn([C@H]2CCCNCC2)nn1 852883056 FJUMXSMUZUWTMG-ZDUSSCGKSA-N 315.377 1.228 10 10 DDCE CC[C@@](C)(NCc1ccc(N2CCOCC2)cc1)C(=O)OC 930151352 FZQXCVQEBNZYCD-QGZVFWFLSA-N 306.406 1.955 10 10 DDCE C[C@H](NC(=O)NCC(=O)NC1CCCC1)c1ccccc1O 868170739 JJRWLAUCYJHIDS-NSHDSACASA-N 305.378 1.811 10 10 DDCE O=C(/C=C/COC1CCOCC1)NCc1ccc(O)c(O)c1 866769103 IDPOTFMWRKHQAN-OWOJBTEDSA-N 307.346 1.466 10 10 DDCE CCN(CCO)Cc1c(C(=O)OC)n(C)c2ccc(F)cc12 893871578 LLRNCLOAAGZOOK-UHFFFAOYSA-N 308.353 1.918 10 10 DDCE CCOc1cccc(CN2CC(C3CS(=O)(=O)C3)C2)c1O 895428317 PDPFYVAKVSPBED-UHFFFAOYSA-N 311.403 1.267 10 10 DDCE Cc1ccc(C(=O)N2CCC(OCCCO)CC2)c(O)c1O 780966664 KQDSKKGQDPLIOG-UHFFFAOYSA-N 309.362 1.410 10 10 DDCE O=CN1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 895813969 ODELQOHGIGNJMB-UHFFFAOYSA-N 320.370 1.617 10 10 DDCE CSc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1C 790865313 HRVDAHVQCUIFSO-VIFPVBQESA-N 321.402 1.914 10 10 DDCE Cn1cc(-c2n[nH]cc2C(=O)NCc2c(O)cccc2O)cn1 1178912920 ZFMWOXGXOQSNJD-UHFFFAOYSA-N 313.317 1.151 10 10 DDCE CC(C)n1cnnc1CNC(=O)c1ccc(N=NC(N)=O)cc1 1443424861 BLOHZEQUOGNVBA-UHFFFAOYSA-N 315.337 1.951 10 10 DDCE COc1cc(CNCCCO)ccc1N1C[C@H](C)O[C@H](C)C1 212667934 DFPVNJKOCDAUCP-OKILXGFUSA-N 308.422 1.781 10 10 DDCE COc1cc(CNCCCO)ccc1N1C[C@@H](C)O[C@H](C)C1 212668050 DFPVNJKOCDAUCP-ZIAGYGMSSA-N 308.422 1.781 10 10 DDCE O=Cc1ccc(OCC(=O)NCc2cccc(O)c2O)cc1 1455316147 GGEBSBFVSDJTNH-UHFFFAOYSA-N 301.298 1.606 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCN(C2CCCC2)CC1 1540703288 PNOBUCIVBJIHBO-UHFFFAOYSA-N 304.390 1.727 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(O)n(C)n1 1624625782 BUJUTKPIAOPSQL-UHFFFAOYSA-N 314.389 1.998 10 10 DDCE C[C@@H](CC(N)=O)C(=O)NCc1cccc(Br)c1O 1556480111 DCDFGRILLAATPM-ZETCQYMHSA-N 315.167 1.282 10 10 DDCE C[C@H](O)CNCC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1732758693 CJVDNTCTWMVILS-MNOVXSKESA-N 321.381 1.328 10 10 DDCE C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1c(O)cccc1O)CS2 1652622618 BHYRBBRNKLKSLV-MEBBXXQBSA-N 322.386 1.168 10 10 DDCE Nc1ccc(NC(=O)N2CC(NC(=O)C(F)(F)F)C2)cc1 1959519174 QFOPRJZENQKKPT-UHFFFAOYSA-N 302.256 1.163 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCNC(=O)CC2)c([N+](=O)[O-])c1 1772826176 RFNNNIOOKGZYOK-HYXAFXHYSA-N 319.317 1.107 10 10 DDCE CN1NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2Cl)C1=O 169996341 GHIKHFRSHGNPHD-ZETCQYMHSA-N 316.144 1.441 10 10 DDCE C[C@@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1866099115 ZQSPJYUWLIGQCP-PBHICJAKSA-N 319.449 1.777 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](F)[C@@H](C(=O)NCCN=[N+]=[N-])C1 1885563406 UIDCTFXQGVAUDD-DTWKUNHWSA-N 301.322 1.618 10 10 DDCE C[C@H](CCCOC(=O)Cc1ccc(N)cc1)S(=O)(=O)O 2155491376 OUMTYVAZEUHWHK-SNVBAGLBSA-N 301.364 1.411 10 10 DDCE CN(CCS(=O)(=O)C(C)(C)C)Cc1cc(N)ccc1O 2170456109 XGEMTDSNJOOKPN-UHFFFAOYSA-N 300.424 1.620 10 10 DDCE CS(=O)(=O)NC1CCN(Cc2cccc(F)c2O)CC1 703118644 MTIJPZCVNSJXPI-UHFFFAOYSA-N 302.371 1.045 10 10 DDCE CCN(CCS(C)(=O)=O)c1ccc(CNC)cc1Cl 688513495 LYPWOMXCIYAXGQ-UHFFFAOYSA-N 304.843 1.930 10 10 DDCE CCN(CCS(C)(=O)=O)c1ccc([C@H](C)NC)c(O)c1 688605945 ZZTLUWZBEURTFV-NSHDSACASA-N 300.424 1.544 10 10 DDCE O=C1Nc2cc(N3CC[C@H]3CF)c(Br)cc2[C@@H]1O 2063218536 SYCUZTFYZTWOND-KGFZYKRKSA-N 315.142 1.983 10 10 DDCE CCn1nnc(CNCc2ccc(Br)cc2O)n1 2077212120 JDJFUDVPFSNULQ-UHFFFAOYSA-N 312.171 1.451 10 10 DDCE Cc1cccc(CNCc2nn(C)nc2Br)c1O 2084061797 ZEMJWNBALCNLOU-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE Cc1cccc(CNS(=O)(=O)c2c(Cl)cnn2C)c1O 2204608981 GWRBGKXDLFFKGJ-UHFFFAOYSA-N 315.782 1.566 10 10 DDCE CSc1ncc(CN[C@H]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)s1 2208839291 JHBCPBKWYWEHTQ-MYJAWHEDSA-N 318.489 1.778 10 10 DDCE COC(=O)NC[C@H](C)NCc1c(O)cccc1Br 2258250529 ZKZMLLSHMPZAAL-QMMMGPOBSA-N 317.183 1.989 10 10 DDCE CO[C@@H](C)CS(=O)(=O)CCC(=O)Nc1ccc(N)cc1 2283826845 SQGBIMYSKYAXEP-JTQLQIEISA-N 300.380 1.047 10 10 DDCE C[C@H](O)c1ccc(N2CC(O)(C(F)(F)CO)C2)cc1Cl 2288524804 YMXDTSBDYAMWOJ-QMMMGPOBSA-N 307.724 1.572 10 10 DDCE Cc1ccc(CNC[C@@H](O)[C@H](C)O)c(O)c1Br 2307483234 XZYKIESEYIMQGN-WCBMZHEXSA-N 304.184 1.294 10 10 DDCE Cc1ccc(CN[C@H]2CCNC(=O)C2)c(O)c1Br 2327621359 MKPGHKWLFVICPK-JTQLQIEISA-N 313.195 1.831 10 10 DDCE CC(=O)N(C(=O)C(=O)N[C@H]1CCCC[C@H]1C)c1ccc(N)cc1 170318640 QPRHBTKBFSMYAM-ABAIWWIYSA-N 317.389 1.843 10 10 DDCE COc1cccc(CN2CCC[C@@H](Cn3cncn3)C2)c1O 128471199 QBTYUSBGKBVXCT-CYBMUJFWSA-N 302.378 1.905 10 10 DDCE CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 121900192 YRELNTIEAGVPPI-CQSZACIVSA-N 307.419 1.290 10 10 DDCE C[C@@]1(CNC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CCCS1 124226334 QPWXVVPLBPOIJE-NHYWBVRUSA-N 310.419 1.370 10 10 DDCE CC[C@H](O)CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 180759828 CUYQVYCPCHNZEF-YVZNUBBCSA-N 320.389 1.026 10 10 DDCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)[C@@H](C)C(=O)OC 49063424 YAKHITXFRQLYDV-NSHDSACASA-N 314.407 1.372 10 10 DDCE NC(=O)c1cccc(NS(=O)(=O)Cc2ccc(N)cc2)c1 40324159 CSVQBRFOOYDDPE-UHFFFAOYSA-N 305.359 1.310 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(C)n(-c2ccc(C)cc2)n1 808534629 RVABDVBZRRJWAN-UHFFFAOYSA-N 300.314 1.804 10 10 DDCE CCOc1ccc(O)c(CN2CC[C@@H](N3CCOC3=O)C2)c1 826994469 IELFSUXLHSQJBB-CYBMUJFWSA-N 306.362 1.817 10 10 DDCE C/C=C\[C@H](O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 900269669 RHNYBLNQQGXGHR-GWQWAINWSA-N 308.353 1.216 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CC[C@@H](C3CC3)N2)cc1 846663965 TVPKAVDUTXERNV-IKGGRYGDSA-N 316.449 1.399 10 10 DDCE CC[C@@H]1OCC[C@H]1C(=O)N(CC(=O)O)Cc1ccccc1O 911489145 PRYUYZAVJPDGFQ-OCCSQVGLSA-N 307.346 1.621 10 10 DDCE CC(=O)C(=O)COC(=O)CC(F)(F)CNC(=O)OC(C)(C)C 845320688 PRLGDZBZRWUWJL-UHFFFAOYSA-N 323.292 1.238 10 10 DDCE O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1O 846103611 RZTKKFHEZFHMBJ-VUPYVKPUSA-N 316.766 1.659 10 10 DDCE C[C@@H](O)[C@H]1CN(Cc2cc(Br)ccc2O)CCO1 840980430 ZPVQHJWYZRNMLJ-NOZJJQNGSA-N 316.195 1.736 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1[C@H](N)Cc1ccc(O)c(O)c1 1952914860 WBUIOSRWZAHQQU-IJLUTSLNSA-N 308.378 1.881 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Nc3nncs3)C2)cc1 853818042 RKBVPONIFNNVFG-JTQLQIEISA-N 319.390 1.947 10 10 DDCE N[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[C@H]1F 851656378 IXAVQIZETMDWIV-HZPDHXFCSA-N 318.396 1.644 10 10 DDCE COC(=O)[C@H]1CCC[C@@H]1NCc1cc(OC)c(OC)cc1O 1343594846 DZHPEVFSPHCFNK-RYUDHWBXSA-N 309.362 1.841 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCC(=O)N1C 935943617 BMLSSARJKSRYJK-LLVKDONJSA-N 311.378 1.505 10 10 DDCE N=C(NCCC1CC1)NCc1ccc(N2CCOCC2)cc1 864453635 YCAQWJZHJXPPKB-UHFFFAOYSA-N 302.422 1.937 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C3CC(OC)C3)C2)cc1 862158260 FTEWFTVTBGFVJI-MFOWVQHXSA-N 304.390 1.815 10 10 DDCE CC(C)(C)OC(=O)NCC1(NCc2cccc(O)c2O)COC1 705693228 XDSCSFJBEZMKGK-UHFFFAOYSA-N 324.377 1.481 10 10 DDCE CNCc1ccc(N(C)[C@H](C)CS(C)(=O)=O)cc1Cl 688560183 MRELWXVVSQKBQU-SNVBAGLBSA-N 304.843 1.929 10 10 DDCE Cn1nnc(Br)c1[C@@H](O)CCc1ccc(N)cc1 695880828 VBYFVHPSJFPCMV-JTQLQIEISA-N 311.183 1.826 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1CCc1ccc(N)cc1 90921759 RKTYHCGASXPYEF-ZDUSSCGKSA-N 300.449 1.231 10 10 DDCE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1178194712 ZFFHGNWNQOMAGH-KCJUWKMLSA-N 324.362 1.012 10 10 DDCE C[C@@H](NC(=O)N[C@@H]1CCc2nnnn2CC1)c1ccccc1O 1252005018 SRAMYRZUEZGQCV-GHMZBOCLSA-N 316.365 1.144 10 10 DDCE COC(=O)COc1ccc(N(C)C[C@@H]2CCC3(COC3)O2)cc1 1333314701 SQVBPGSHXQXFKP-HNNXBMFYSA-N 321.373 1.623 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@H](CO)C2CCC2)cc1F 1350480749 ZHFAGDGBVSMQJJ-CQSZACIVSA-N 309.385 1.852 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC(=O)OCc1ccccc1 1538836597 AKEASFLTKWZHHP-UHFFFAOYSA-N 315.325 1.500 10 10 DDCE C/C=C/C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OCC 1556145563 KPSXYXABDRYYSN-OGOUPESXSA-N 307.346 1.654 10 10 DDCE Cn1cnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1 1636409990 UZINJYLSNYZYFM-UHFFFAOYSA-N 304.331 1.371 10 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COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN3CCOC[C@H]23)c1 2064278678 WTCXFENVBIJUJW-NJZAAPMLSA-N 320.389 1.299 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N1CCC2(C1)CC1(C2)OCCO1 2188920432 VLTKRSOAFFBQAE-UHFFFAOYSA-N 321.329 1.173 10 10 DDCE CC[C@H](NCC[C@H](O)CO)c1cc(Br)ccc1O 2061854740 MKZMLAIEGAIIJA-JQWIXIFHSA-N 318.211 1.939 10 10 DDCE CN1CCc2cc([C@H](N)c3nn(C)nc3Br)ccc21 2111418758 CNAFNAPHDQSBPT-NSHDSACASA-N 322.210 1.618 10 10 DDCE COc1ccc(Br)c(CNC2CC(O)C2)c1O 2214869917 YKLDYKDEJNZSSZ-UHFFFAOYSA-N 302.168 1.776 10 10 DDCE COc1cc(S(=O)(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])sn1 2225800038 NOJPBHJLZWCZET-RQJHMYQMSA-N 303.369 1.661 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2c[nH]ccc2=N)s1 2269283416 CTTSSEFRZNJBRN-UHFFFAOYSA-N 316.433 1.151 10 10 DDCE CC(=O)NN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2297259307 PPJAGEIQZJRUCI-UHFFFAOYSA-N 323.355 1.847 10 10 DDCE Cc1ccc(CN[C@@H]2COC[C@H]2O)c(O)c1Br 2307475676 SPJUIGSREOKYPO-NXEZZACHSA-N 302.168 1.312 10 10 DDCE CC(C)N1CC[C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)C1=O 2308001117 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Cc1nc(CN2C(=O)CN(Cc3ccccc3O)C2=O)no1 819168376 OTHZEGIINCYQAK-UHFFFAOYSA-N 302.290 1.048 10 10 DDCE COc1ccc(CNS(=O)(=O)C[C@H](OC)C2CC2)c(O)c1 827539413 DGICIPDNYDSLOA-AWEZNQCLSA-N 315.391 1.245 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNCC2CCC(O)CC2)c1O 827515428 GWVXKWAEEHWNMS-UHFFFAOYSA-N 310.350 1.950 10 10 DDCE Cn1nc2c(c1C(=O)NCc1ccc(O)c(O)c1)CSCC2 901131795 OWCFCSPRUXCEIM-UHFFFAOYSA-N 319.386 1.551 10 10 DDCE C[C@H](C(=O)NC(=O)NC1CC1)N1CCCc2cc(CN)ccc21 843349596 FRMYYRPHWWRHRD-LLVKDONJSA-N 316.405 1.275 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@H]([C@H](C)O)C1 840302427 QLROSSPRIQURPX-BBRMVZONSA-N 321.421 1.352 10 10 DDCE COc1cc(Br)cc([C@@H]2NCCN(C)C2=O)c1O 1952341022 KPZBVTMPUZZLNI-JTQLQIEISA-N 315.167 1.266 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](Cn2ccnn2)C1 855239026 WQYHOHHOVRYEBD-QDOCKXBDSA-N 314.345 1.251 10 10 DDCE Cc1ccc(CNC(=O)NCc2c(O)cccc2F)c(=O)n1C 922226835 ZEUSYQNNSIIIPR-UHFFFAOYSA-N 319.336 1.538 10 10 DDCE CCOCCOCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855230598 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DDCE COc1ccc(N2CCN(C(=O)[C@@H]3CO[C@H](C)C3)CC2)cc1 784014094 DNOSYMVHZLROCR-KGLIPLIRSA-N 304.390 1.769 10 10 DDCE CN(C)c1ccc(/C=C/CN2CC(O)(c3ncnn3C)C2)cc1 895618555 KJXCFARAKQWFSD-SNAWJCMRSA-N 313.405 1.098 10 10 DDCE COCc1ncc2c(n1)CCN(Cc1cc(OC)ccc1O)C2 895416318 ZVNSPNNTGGNTTH-UHFFFAOYSA-N 315.373 1.896 10 10 DDCE CCN1CC[C@@H](N(C)C(=O)Cc2ccc(O)c(O)c2)[C@@H](C)C1 1136900565 XRRKDWUTIFAIGL-GXTWGEPZSA-N 306.406 1.829 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@@H]2COC[C@@H]2O)cc1Br 709329676 ILROTSOYHSEFRL-CKLFPEKLSA-N 315.211 1.665 10 10 DDCE COC(=O)c1cnc(C(=O)NCc2c(O)cccc2F)cn1 1303878002 KJJWAMZSBOLRIX-UHFFFAOYSA-N 305.265 1.038 10 10 DDCE CNC1CCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 1332340376 VYLNWGIBRRBRBC-UHFFFAOYSA-N 320.456 1.761 10 10 DDCE COC(=O)NC1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1457770463 PWRSPBKJOPLHHP-UHFFFAOYSA-N 305.294 1.029 10 10 DDCE CNC(=O)[C@H](C)N(C)c1cc(Br)c(CN)cc1F 1916795626 RRKAPYJYVYLBCU-ZETCQYMHSA-N 318.190 1.618 10 10 DDCE COCCCN1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 1611400896 KDUHDSUPEOSKAQ-UHFFFAOYSA-N 322.405 1.257 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1sccc1-n1ccnn1 1545636710 DMVBTDRWMRYRSK-UHFFFAOYSA-N 316.342 1.670 10 10 DDCE COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(O)cc2O)c1 1557084952 VNWYWBILZPWXSQ-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE C[C@@H](Cn1cncn1)NC(=O)c1cc2cc(O)c(O)cc2s1 1631706388 JDNBHABFRGTLMI-QMMMGPOBSA-N 318.358 1.723 10 10 DDCE CC[C@@H](NC[C@H](O)C(N)=O)c1cc(Br)ccc1O 228607370 LYNROPSYSKXNCE-KOLCDFICSA-N 317.183 1.042 10 10 DDCE C[C@H]1COc2c(C3(N)CC3)c(O)cc3c(=O)c(C(=O)O)cn1c23 1848437944 NRSOAAILMVHHPN-ZETCQYMHSA-N 316.313 1.307 10 10 DDCE COC(=O)C(C)(C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1596040071 FXFKXKVREPCZAN-UHFFFAOYSA-N 306.322 1.778 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@@H](CO)C2)c([N+](=O)[O-])c1 1773104405 OXRONUCCOQYZLQ-KTLBGCOUSA-N 306.318 1.600 10 10 DDCE COCCN1CCN(Cc2cc(OC)c(OC)cc2O)C[C@H]1C 160211957 SAJOSJWSWSSSIP-CYBMUJFWSA-N 324.421 1.562 10 10 DDCE COCCN(CCO)c1ccc([C@@H](C)N)cc1Br 164359373 DMEJYGJIDQLKRB-SNVBAGLBSA-N 317.227 1.914 10 10 DDCE Cc1ccc(O)c(CNCCC(=O)N2CCC(C(=O)O)CC2)c1 1857864265 FNDRTCAYFNFAFL-UHFFFAOYSA-N 320.389 1.504 10 10 DDCE CN(Cc1cc(Br)ccc1O)[C@@H]1CCCNC1=O 1963334409 DKJWNDRRUDFAPR-LLVKDONJSA-N 313.195 1.865 10 10 DDCE CN(Cc1cc(Br)ccc1O)C[C@H]1COCCN1 1964651582 DADZGYSHWMEXGA-LBPRGKRZSA-N 315.211 1.575 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNCc1ccc(O)c(O)c1O 1978009966 WQBZXEAPTHCGRJ-MNOVXSKESA-N 324.377 1.806 10 10 DDCE O=C1CC[C@H](CNCc2cccc(Br)c2O)CN1 2041474911 KXTYWXNUOYZRGB-SECBINFHSA-N 313.195 1.771 10 10 DDCE C[C@@H]1CN(c2c(F)cc(CN)cc2F)C[C@@H](C)S1(=O)=O 400844055 MKFLWJYSLCDTJO-RKDXNWHRSA-N 304.362 1.435 10 10 DDCE C[C@H](C[C@H]1CCCS1(=O)=O)NCc1c(O)cccc1F 2160778488 QMROCAPGINMYCB-GHMZBOCLSA-N 301.383 1.977 10 10 DDCE C[C@@H](O)[C@@H](O)CNCc1cc(Br)cc(F)c1O 715748033 YQDHHBAJXFYECY-LDWIPMOCSA-N 308.147 1.125 10 10 DDCE Cc1csc(CN(C)S(=O)(=O)Cc2ccc(N)cc2)n1 387186830 BOCXIQXOOADMIE-UHFFFAOYSA-N 311.432 1.996 10 10 DDCE COCCN(CCF)c1cc2c(cc1Cl)[C@H](O)C(=O)N2 697313185 LQDTZMYHQNYXFZ-LBPRGKRZSA-N 302.733 1.748 10 10 DDCE Cc1ccc([C@H](C2CC2)n2nc(C)c(C(N)=O)c2N)c(O)c1 2079112695 YMPDHTQKGZOKRY-AWEZNQCLSA-N 300.362 1.886 10 10 DDCE COc1cc(Cl)cc(CN[C@@H](C)[C@@H](C)S(C)(=O)=O)c1O 2170600572 MQZPEXJUPAOGNB-DTWKUNHWSA-N 321.826 1.965 10 10 DDCE Cn1c(Br)nnc1CNCc1c(O)cccc1F 2057840178 MTWIMPBDVSDOCZ-UHFFFAOYSA-N 315.146 1.712 10 10 DDCE O=C(O)[C@H](NCc1cc(Cl)cc(Cl)c1O)C1COC1 2104890552 NQRZJUSMSUDKFM-SNVBAGLBSA-N 306.145 1.888 10 10 DDCE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)Cc2ccc(N)cc2)C1 2095718423 DUMXYXLRHCTUTG-IUODEOHRSA-N 304.390 1.811 10 10 DDCE COc1ccc(Br)c(CN2C[C@@H]3C(N)[C@H]3C2)c1O 2220465038 XDSPZKUSQVEBMP-YUMQZZPRSA-N 313.195 1.552 10 10 DDCE CO[C@@H]1CC[C@@H]1CS(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 2239419136 WLVQNKCMJHHYNJ-IJLUTSLNSA-N 302.400 1.764 10 10 DDCE CCS(=O)(=O)N(C)Nc1nc(C(C)(C)C(=O)O)cs1 2339782298 WDLUHQHWQKLNDD-UHFFFAOYSA-N 307.397 1.114 10 10 DDCE C[C@H](Nc1ccc(S(N)(=O)=O)cc1)c1ccc(O)cc1O 20021285 FOVYCQICAQBPRP-VIFPVBQESA-N 308.359 1.918 10 10 DDCE CN(Cc1ccc(F)cc1O)[C@H]1CC[C@@H](S(C)(=O)=O)C1 2361676094 DYBHBGSAESGUBD-QWHCGFSZSA-N 301.383 1.929 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCN3CCCC[C@@H]23)cc1 219197082 OBOKAETYOLRTRL-CABCVRRESA-N 309.435 1.315 10 10 DDCE CN(Nc1nc([C@H]2C[C@H]2C(=O)O)cs1)S(=O)(=O)C1CC1 2365270436 FRLQQYQKCHOROZ-JGVFFNPUSA-N 317.392 1.082 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H](S(=O)(=O)C(F)F)C2)cc1 2368588812 NFLFIMPTGNGLMP-JOYOIKCWSA-N 304.362 1.922 10 10 DDCE CCN(CC(F)(F)F)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 42778573 JPOVZJVSSJRARF-VIFPVBQESA-N 306.284 1.378 10 10 DDCE COC(=O)[C@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 263954472 ZYVJIVJACRGUMS-AWEZNQCLSA-N 319.405 1.847 10 10 DDCE COc1cc(O)c(CN2CCn3cc(C)nc3C2)cc1OC 367811422 UWSSEFVHEWDUSB-UHFFFAOYSA-N 303.362 1.930 10 10 DDCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[S@](=O)C1 365442691 LAAIFWSTZYDFDB-QRQCRPRQSA-N 322.474 1.724 10 10 DDCE CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)C[C@@]2(CCOC2)O1 377276736 IQKJQPPGYHPTMU-SJKOYZFVSA-N 321.373 1.816 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccn(Cc2ccccc2)c1=O 808509672 UKZNJIWBNRPGAB-UHFFFAOYSA-N 313.309 1.212 10 10 DDCE CN1CCCc2cc(CNC(=O)N[C@H]3CCCNC3=O)ccc21 297387387 WSNYWIDISWQONV-AWEZNQCLSA-N 316.405 1.147 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1)c1cc2c(s1)CCNC2 722213138 OKBXYRNSPQWYSM-UHFFFAOYSA-N 310.400 1.900 10 10 DDCE COC(=O)/C=C/c1ccc(N2CN(C)C(=O)[C@H]2C)c([N+](=O)[O-])c1 826798143 PIZVSNZIRHKETH-BREXMAIKSA-N 319.317 1.405 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCC[C@@H](S(N)(=O)=O)C2)cc1 835048766 XZKPUKSWFZUNQB-OICCZTGUSA-N 323.462 1.519 10 10 DDCE C[C@H]1CNCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 841833077 ZFIMEOSKOXXDIK-YOEHRIQHSA-N 314.433 1.860 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@H](CF)C3)cc2N1 840356092 ZQKCWVNSILZSAS-MRVPVSSYSA-N 311.269 1.100 10 10 DDCE COc1ccc(N(C)CC(=O)N2CCOC(C)(C)C2)cc1F 929827440 SCEBBNIGAQWHOL-UHFFFAOYSA-N 310.369 1.908 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CCC(c3ccon3)CC2)cc1 850854355 LQPNSGBMLRCARB-UHFFFAOYSA-N 314.345 1.602 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCOC[C@@H]2CCO)cc1 758313264 BJMOACLGAPQOKH-HNNXBMFYSA-N 307.394 1.045 10 10 DDCE C[C@H]1CN(C(=O)C=C2CCNCC2)c2ccccc2N(C)C1=O 852847733 WLUZRLJVPFGRIP-ZDUSSCGKSA-N 313.401 1.942 10 10 DDCE Oc1ccccc1CN(C[C@H](O)C1(O)CCC1)C[C@H]1CCCO1 929971582 PIINYIKGVXXHNL-WBVHZDCISA-N 321.417 1.649 10 10 DDCE OC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc(OCc2ccccc2)cc1 1899867526 UQHSTHCVXUJHCM-SQNIBIBYSA-N 315.369 1.168 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)CCOC(C)(C)C 866834530 MHQVAOPCJIAZTQ-UHFFFAOYSA-N 301.408 1.969 10 10 DDCE COC(C)(C)CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 761911370 GBHRXRPKDZAXLA-UHFFFAOYSA-N 309.322 1.787 10 10 DDCE COC[C@@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1119020651 XPMNBQSOQDSDQA-ZDUSSCGKSA-N 318.373 1.262 10 10 DDCE CC1(Cn2cc(C(=O)N3Cc4cccc(O)c4C3)nn2)COC1 871203583 CNZGMNPHRDFEMH-UHFFFAOYSA-N 314.345 1.176 10 10 DDCE C[C@@H](NC[C@H](O)CC(C)(C)O)c1ccc(N2CCOCC2)cc1 872200295 ZLNNRPSYWYWTOC-RHSMWYFYSA-N 322.449 1.696 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC(=O)N(C)C2)c([N+](=O)[O-])c1 779426879 MAXJLXJYYCGUJT-XQRVVYSFSA-N 305.290 1.017 10 10 DDCE CON(C)C(=O)CCN(Cc1ccccc1O)C[C@@H]1CCCO1 788018296 AHIBYNFAXNKUEK-HNNXBMFYSA-N 322.405 1.783 10 10 DDCE C[C@@H]1CO[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 895495192 OBZVRJFCRZZJEV-YOEHRIQHSA-N 318.417 1.907 10 10 DDCE C[C@@H](O)c1ccc(N(C)[C@H](C)C(N)=O)cc1Br 711086386 GGLBMWIJJRJCEM-HTQZYQBOSA-N 301.184 1.812 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CSCC(C)=O 1157102367 KTQTUIORMRKFMP-UHFFFAOYSA-N 302.392 1.816 10 10 DDCE N[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@@H]1CO 2122345507 INBOTSROIDTENG-PRHODGIISA-N 305.205 1.841 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)[C@@H]1CCC12CNC2 2123313714 FDAYLPYPDVLEGB-LLVKDONJSA-N 302.783 1.539 10 10 DDCE C[C@@H](NC(=O)N[C@H]1CCc2nnnn2CC1)c1ccccc1O 1252005019 SRAMYRZUEZGQCV-MNOVXSKESA-N 316.365 1.144 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCOC(=O)C2CC2)cc1 1449380247 XKEJXLSLLYZKSL-UHFFFAOYSA-N 304.306 1.532 10 10 DDCE Nc1ccc(CCC(=O)N2CCC3(C2)CC2(C3)OCCO2)cc1 1917308457 FGAWXCYZHTVFBA-UHFFFAOYSA-N 316.401 1.957 10 10 DDCE O=C(COc1ccccc1[N+](=O)[O-])NCc1cc(O)ccc1O 1471660561 CQHJHWHJLQPTKC-UHFFFAOYSA-N 318.285 1.701 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCn2nc(C3CC3)cc2C1 1648181839 XITOTIAIVAKADO-UHFFFAOYSA-N 313.357 1.757 10 10 DDCE CC(=O)N(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 1743527295 FZUSDMXBFVWITR-UHFFFAOYSA-N 305.338 1.447 10 10 DDCE O=C(NCc1ccn2ccnc2c1)c1c(F)ccc(O)c1O 1654415736 JUESCBKJMWDSKZ-UHFFFAOYSA-N 301.277 1.815 10 10 DDCE Cc1nc(C2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)n[nH]1 1595454532 NXRSDOYXJBMEKB-UHFFFAOYSA-N 313.321 1.515 10 10 DDCE O=C(O)c1cn[nH]c1S(=O)(=O)Nc1ccc(O)c(Cl)c1 232389422 RCCNHQCXKKMHGP-UHFFFAOYSA-N 317.710 1.268 10 10 DDCE COc1cccc(CNC(=O)NC2CCN(OC)CC2)c1O 1673754398 DFBOQZSXRUOJOZ-UHFFFAOYSA-N 309.366 1.226 10 10 DDCE CC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865939302 NCSPBGVNCDLLKQ-KRWDZBQOSA-N 317.433 1.985 10 10 DDCE COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2=O 135658946 MRPJBTFHICBFNE-HZPDHXFCSA-N 318.281 1.489 10 10 DDCE biogenic CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NCc1ccc(O)cc1O 1937553776 UHRFKLOFVRJJBV-QWHCGFSZSA-N 324.377 1.480 10 10 DDCE CN(Cc1cc(Br)ccc1O)[C@@H]1CCC(=O)NC1 1970970344 OOQPYXPMSJJPEP-LLVKDONJSA-N 313.195 1.865 10 10 DDCE CN(C[C@@H]1COCCO1)c1ccc(CN)c(Br)c1 2027154627 DVLIUPHZWGDWRE-GFCCVEGCSA-N 315.211 1.759 10 10 DDCE CCCN(c1ccc(N)cc1)S(=O)(=O)[C@@H](C)C(=O)OC 63115455 NKGLDACFQMJJOF-JTQLQIEISA-N 300.380 1.377 10 10 DDCE O=S(=O)(Nc1ccc(O)c(F)c1)C1CCC(CO)CC1 2157768687 NOOSSENRLPMBQR-UHFFFAOYSA-N 303.355 1.824 10 10 DDCE CCCS(=O)(=O)CCN(C)Cc1cccc(OC)c1O 2170543025 CVBRYQBFUBSFQP-UHFFFAOYSA-N 301.408 1.657 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](CN2CCC[C@@H]2CN=[N+]=[N-])C1 2179618967 NMUXEJQXUUPYMD-NWDGAFQWSA-N 301.416 1.433 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCN(CC(C)C)CC3)c2n1 2062854491 TUOOGNTWTZKEOT-UHFFFAOYSA-N 317.393 1.157 10 10 DDCE COC(=O)[C@H](C)CS(=O)(=O)Nc1ccc(O)c(Cl)c1 271930974 IIXCZTPBQQERON-SSDOTTSWSA-N 307.755 1.596 10 10 DDCE Cn1nc(Br)nc1[C@H](O)CCc1ccc(N)cc1 2052945895 VPTJQNSWRVREFC-SNVBAGLBSA-N 311.183 1.826 10 10 DDCE CC[C@H](C)NCc1cnc(Sc2nnc3nc[nH]n23)s1 2239997217 REVMMAJJQFVCTF-ZETCQYMHSA-N 309.424 1.948 10 10 DDCE CSc1ncc(CNC(=O)[C@@]23CCOC[C@@H]2CNC3)s1 2284494634 PNJLXBBMEQNHGS-TVQRCGJNSA-N 313.448 1.107 10 10 DDCE COc1cccc(C=C2C(=O)NC(=O)N(C(C)(C)C)C2=O)c1O 2296331030 AUYDPZPICWBWGP-UHFFFAOYSA-N 318.329 1.661 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)C[C@@H]3CO[C@H]2C3)s1 2350663504 LNNJTACEGWBVLC-VFWDIBGWSA-N 300.405 1.587 10 10 DDCE O=C(COC[C@H]1CCOC1)NCCCSc1nccs1 117802324 NFSGWBDOLXINAO-NSHDSACASA-N 316.448 1.795 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C[C@@H]1N(C)C 124364591 LJVKOWSXUYHZDD-ULOPGQLASA-N 308.813 1.678 10 10 DDCE N[C@@H]1CC[C@@H]1S(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2363564781 KGCULJDKINZALR-SCZZXKLOSA-N 310.297 1.642 10 10 DDCE COC(=O)CCCS(=O)(=O)N(C)[C@H](C)c1ccccc1O 49062131 UPYOYRGLEXCBSQ-LLVKDONJSA-N 315.391 1.668 10 10 DDCE Cc1nn(C)c(C)c1NC(=O)C(=O)N(C)Cc1ccccc1O 269904316 DRXDOHISZGUOHL-UHFFFAOYSA-N 316.361 1.340 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCCCN2CCCC2=O)c1 273364840 DVWJPSWYHJCNPU-LBPRGKRZSA-N 320.389 1.842 10 10 DDCE CCOc1cccc(CN(C)[C@H]2CCN3CCO[C@H]2C3)c1O 294673356 ASPAGJBCPNXWIM-HOCLYGCPSA-N 306.406 1.696 10 10 DDCE CC(=O)C(=O)COC(=O)CCN1C(=O)CCc2ccccc21 808520385 QCJFBAJGOUWRKL-UHFFFAOYSA-N 303.314 1.057 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1cncn1Cc1ccccc1 811325154 IUUDOQOGKIAMQQ-UHFFFAOYSA-N 300.314 1.175 10 10 DDCE CCN(C)c1ccc([C@H](C)N[C@@H]2CCC(=O)N(C)C2=O)cc1 818361529 KSRDHYMQGANAKO-SWLSCSKDSA-N 303.406 1.941 10 10 DDCE O=C(NCc1ccccc1O)[C@H]1CCc2nnc(C3CC3)n2C1 815833209 CEYATRWAJUNHSI-ZDUSSCGKSA-N 312.373 1.740 10 10 DDCE CCOC(=O)[C@H](F)[C@@H](N)c1c([N+](=O)[O-])ccc(Cl)c1O 725424867 MJFRFGVJLUABHN-BDAKNGLRSA-N 306.677 1.855 10 10 DDCE CC(C)N1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)[C@H](C)C1 588407739 MKZFDDIBRVEDIL-OJWNKBRNSA-N 304.390 1.956 10 10 DDCE O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1ccc(Br)cc1O 826142550 FGHPTEGDFQSPCE-PSVSLLHZSA-N 316.220 1.860 10 10 DDCE C[C@@H](O)[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCO1 840244506 OBDMASADNJEBDB-IUODEOHRSA-N 307.394 1.044 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@H](CO)C2)c1O 840977449 HWOMWCHNXCIGBH-CMPLNLGQSA-N 310.350 1.950 10 10 DDCE CSC[C@H]1NC(=O)N(Cc2ccc(N(C)C)c(F)c2)C1=O 924540150 CDWJFCJKIKHNQP-LLVKDONJSA-N 311.382 1.675 10 10 DDCE COC(=O)N(C)CCN(C)C(=O)NCc1ccc(N(C)C)cc1 853244977 SFYYODYYNHQHQO-UHFFFAOYSA-N 322.409 1.592 10 10 DDCE COc1ccc(N2CC[C@H](N[C@H](C)c3cnn(C)n3)C2)cc1 926680796 RSDUGTTYPRINKD-OLZOCXBDSA-N 301.394 1.753 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)cc1 855224060 DVFZUYPSHVPNKV-LSDHHAIUSA-N 317.433 1.732 10 10 DDCE CCN(CC)c1ccc(CNC(=O)N2CC(C(=O)O)C2)cc1F 857097194 OLOMEEKEGDNGGT-UHFFFAOYSA-N 323.368 1.898 10 10 DDCE CCN(Cc1cc(=O)n2nc(N)[nH]c2n1)c1ccc(OC)cc1 856728908 MHEBFEJXXBHKMD-UHFFFAOYSA-N 314.349 1.035 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@]3(C)CCNC3)C2)cc1 851640533 XJPJATYZJUALJE-SUMWQHHRSA-N 303.406 1.390 10 10 DDCE C[C@H](NS(=O)(=O)c1cn(C)c(Cl)n1)c1ccccc1O 867834959 XCDVBHAOBNBIKN-QMMMGPOBSA-N 315.782 1.819 10 10 DDCE COCCNC(=O)c1cc(N2Cc3cccc(O)c3C2)ccn1 866117085 FXIQYSZBJPWEQH-UHFFFAOYSA-N 313.357 1.684 10 10 DDCE O=C(C[C@H]1COC(=O)C1)NCc1ccc2cccnc2c1O 862026987 GGJSHZYCZUBSPO-SNVBAGLBSA-N 300.314 1.510 10 10 DDCE CN(C)c1ccc(/C=C\CNCc2nc(O)cc(CN)n2)cc1 863647857 FHHDGJNHEAVAFB-ARJAWSKDSA-N 313.405 1.510 10 10 DDCE COc1ccc(CNC(=O)c2cnn3ccc(C)nc23)c(O)c1 794388428 TUAGOUFJYSORCA-UHFFFAOYSA-N 312.329 1.682 10 10 DDCE Cc1ccccc1-n1c(C)cc(C(=O)NC[C@@](C)(O)CO)c1C 798264446 GJMWMVYTMUDYLJ-GOSISDBHSA-N 316.401 1.876 10 10 DDCE COC(=O)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1142461369 SUXWPZJGINMEMZ-JTQLQIEISA-N 304.306 1.484 10 10 DDCE CCCCOCCCNS(=O)(=O)Cc1ccc(N)cc1 133608584 XFLNBTDLBVPXRM-UHFFFAOYSA-N 300.424 1.895 10 10 DDCE COc1ccc(CNC[C@H](O)CN(C)C(=O)C(C)(C)C)cc1C 1332591768 LLWBORORMYVBJY-HNNXBMFYSA-N 322.449 1.959 10 10 DDCE CC(C)O[C@H]1CS(=O)(=O)C[C@@H]1N1CCC(N=[N+]=[N-])CC1 1912190617 GPFTXAJYAKSIAC-RYUDHWBXSA-N 302.400 1.352 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)c1c(Br)nnn1C 1912157744 STUBQZUAUHPWOW-UHFFFAOYSA-N 302.136 1.350 10 10 DDCE NCc1ccc(N2CC[C@@](F)(CO)C2)cc1Br 1917067302 JYYUBSHGSJVQBF-LBPRGKRZSA-N 303.175 1.819 10 10 DDCE Cc1cc(C)c(CC(=O)NCc2cccc(O)c2O)c(O)n1 1471642294 RLXAFHUFALAZNR-UHFFFAOYSA-N 302.330 1.674 10 10 DDCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN(C2CCC2)C1 1637297422 AEXUGEKMIICUGM-CYBMUJFWSA-N 318.417 1.973 10 10 DDCE Cc1cn2c(n1)C[C@@H](C(=O)NCc1c(O)cccc1O)CC2 1635847746 UFBGWDTWQVBUJB-NSHDSACASA-N 301.346 1.482 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1ncc(CCO)s1 1638199356 JEYRQTHOFYECCR-DUXPYHPUSA-N 306.343 1.741 10 10 DDCE COc1cn(C)nc1[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 1647663340 NHIOLDGHQLXDTL-STUBTGCMSA-N 317.345 1.731 10 10 DDCE Cc1cc(C)n2nc(C(=O)NCc3cc(O)ccc3O)nc2n1 1644752767 TYFUTSUCNJWRKD-UHFFFAOYSA-N 313.317 1.082 10 10 DDCE CN(CCS(C)(=O)=O)c1ccc(/C=C/C(=O)O)cc1Cl 164394202 UFXGCCZFUFXLGH-GQCTYLIASA-N 317.794 1.919 10 10 DDCE O=S1(=O)CC[C@H]1CNCc1c(O)cccc1Br 1945525179 CCZZAWVFFVDOSV-QMMMGPOBSA-N 320.208 1.431 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNC(=O)c1ccc(O)c(O)c1 1982313257 HZHLCSRKQXAROK-QWRGUYRKSA-N 322.361 1.741 10 10 DDCE CC[C@@H](c1cc(Br)ccc1O)N(CCN)CCN 2034687882 BAFWEUNPQQMURO-LBPRGKRZSA-N 316.243 1.825 10 10 DDCE NCc1ccc(N2CCOC[C@H](CO)C2)cc1Br 2036939692 UICMEDUMBPCNEX-JTQLQIEISA-N 315.211 1.353 10 10 DDCE C[C@@H](NCc1ccc(Br)cc1O)C(=O)NC1CC1 691468848 PDQCPICNUVWIDP-MRVPVSSYSA-N 313.195 1.911 10 10 DDCE CS(=O)(=O)c1cnn(Cc2cc(Cl)ccc2O)c1N 2070216892 CKYNSHRJHXIOEI-UHFFFAOYSA-N 301.755 1.276 10 10 DDCE CCS(=O)(=O)[C@H]1CCN(c2c(F)cc(CN)cc2F)C1 2179890095 HBXARAWZJABNKA-JTQLQIEISA-N 304.362 1.437 10 10 DDCE C[C@@H](N)c1csc(NS(=O)(=O)Cc2ccc(N)cc2)n1 2203122299 BOCJSTMHLVNFMJ-MRVPVSSYSA-N 312.420 1.687 10 10 DDCE NCc1cc(F)c(N2CC(S(=O)(=O)C(F)F)C2)c(F)c1 2206681713 MEOMBMPDWHXZQJ-UHFFFAOYSA-N 312.288 1.250 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H](F)[C@H]2CCOC2)cc1 2238295954 YXCFJBJGGRLEKS-AAEUAGOBSA-N 302.371 1.063 10 10 DDCE Cc1cc([C@@H](C)O)ccc1N(C)CCN(C)S(C)(=O)=O 2240830799 TVSQGMLQQWEYMS-GFCCVEGCSA-N 300.424 1.376 10 10 DDCE COc1cc(OC)c(N2CC[C@H](O)[C@@H](CO)C2)cc1Cl 2285911998 SWVGLLIECBOCCZ-SKDRFNHKSA-N 301.770 1.537 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@H]2[C@@H](O)CO)cc1Br 2258330784 JSHBRANKUVVZHM-HJIKLVIJSA-N 316.195 1.434 10 10 DDCE CCOCCOC[C@H](O)CNCc1cnc(SC)s1 2269093295 NJOFAGDBFBYBTR-SNVBAGLBSA-N 306.453 1.369 10 10 DDCE CN(C(=O)/C=C\c1cccnc1)c1ccc(N2CCOCC2)nc1 492473846 NPTRAQGLLJEPID-DAXSKMNVSA-N 324.384 1.989 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CCSC3)c(Br)cc21 2303472062 QBZGEPVQINSYDQ-SNVBAGLBSA-N 314.208 1.912 10 10 DDCE CCCOc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1 53090967 CWVIUUHFIXCGIA-UHFFFAOYSA-N 302.330 1.909 10 10 DDCE COc1cc(O)c(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)cc1OC 180084756 XUTMXPJKWTUYDY-QWHCGFSZSA-N 324.421 1.296 10 10 DDCE Cn1ncc(CNC(=O)NCc2c(O)ccc3c2CCCC3)n1 805991800 FEMDBHFPPFBROW-UHFFFAOYSA-N 315.377 1.399 10 10 DDCE CC[C@@H](NC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(=O)O 588592435 VQYXSGVXGSSGSZ-GTBONMDNSA-N 318.373 1.516 10 10 DDCE CC(C)N1CCC([C@@H]2C[C@H]2NC(=O)c2cc(O)nc(O)c2)CC1 585503877 FWPFYPGNAIOWAV-UONOGXRCSA-N 319.405 1.732 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(C(=O)OC(C)(C)C)cn1 830541340 LTBFCKVSYCWEQQ-UHFFFAOYSA-N 307.302 1.352 10 10 DDCE C[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C1 842235104 CUOLDFJNLWSNNR-CHWSQXEVSA-N 303.406 1.575 10 10 DDCE COc1cc(O)c(CN(C[C@@H]2CCC(=O)N2)C(C)C)cc1OC 840191413 YPAPTLIOCHHRRL-ZDUSSCGKSA-N 322.405 1.898 10 10 DDCE C[C@H]1OCC[C@@H]1S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 844783084 RFSMFKDTQWHTLS-HQJQHLMTSA-N 301.320 1.010 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@]2(CO)CCC[C@@H]12 924131471 QBHQDXSNXMZTMD-JPQUEUOBSA-N 303.358 1.875 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C[C@@H]1C[C@H]2COC[C@@H]2O1 930128907 XNOMSYQQFVFHAS-JDFRZJQESA-N 304.390 1.755 10 10 DDCE CC[C@@H](NC[C@]12COCCN1C(=O)COC2)c1ccccc1O 866551818 CNHAJQKTCHAJTQ-RHSMWYFYSA-N 320.389 1.061 10 10 DDCE CCC(=O)N[C@H](C)C(=O)NCc1ccc2cccnc2c1O 862029338 VSPJWLQBOWOOBW-SNVBAGLBSA-N 301.346 1.471 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)c2ncccc2N)cc1 869142648 INXHDXRJDQIGQP-UHFFFAOYSA-N 314.389 1.881 10 10 DDCE CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)C(C)=O 869620587 SZWFYMFWJJKDFT-ZDUSSCGKSA-N 321.329 1.045 10 10 DDCE CCN(C)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1 239561 BVGCBGRBYPXUGY-CQSZACIVSA-N 303.362 1.944 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCn3nnc(CO)c3C2)cc1 894810577 RAGNVOSGRZDKPQ-ONEGZZNKSA-N 313.405 1.365 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1 1150920951 WPPKCJOUBAWNGT-GFCCVEGCSA-N 312.333 1.859 10 10 DDCE C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1C 1329437021 KQRJHUWGWXDEEJ-NWDGAFQWSA-N 302.374 1.739 10 10 DDCE C[C@@H]1C[C@@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 1327970948 IGFFLRKQAACLPH-ZYHUDNBSSA-N 307.369 1.280 10 10 DDCE COc1nscc1S(=O)(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912204986 ZRFIYSVSUDKXBK-SSDOTTSWSA-N 303.369 1.473 10 10 DDCE COc1ccc(CN[C@H](C)CN(C)C(=O)CNC(C)=O)cc1C 1277742927 RCCFTZYEIFKDEA-CYBMUJFWSA-N 321.421 1.076 10 10 DDCE CCOC(=O)N[C@@H](C(=O)NCc1ccc(O)cc1O)C(C)C 1557084475 AOQHKJUXCSDZAU-CYBMUJFWSA-N 310.350 1.485 10 10 DDCE CCOC(=O)[C@@H](F)C1CN(C(=O)c2c(F)ccc(O)c2O)C1 1648822344 CVWKYYHIKAXCFK-NSHDSACASA-N 315.272 1.210 10 10 DDCE CCNC(=O)NC1(C(=O)NCc2c(O)cccc2O)CCCC1 1597568964 LFGUTFCKXFRJQK-UHFFFAOYSA-N 321.377 1.346 10 10 DDCE C[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@H](C(N)=O)O1 160406972 SOVRWSSLQJQRNJ-BDJLRTHQSA-N 304.390 1.346 10 10 DDCE COCCN1CCN(Cc2cc(C)cc(OC)c2O)C[C@H]1C 164341960 CYFLSQMVGKGSPV-CQSZACIVSA-N 308.422 1.862 10 10 DDCE Cc1ccc(O)c([C@@H](C)N[C@@H](C)CS(=O)(=O)N(C)C)c1 1967465114 JAOXFHRAWVUYSM-NWDGAFQWSA-N 300.424 1.631 10 10 DDCE C[C@H](O)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c(F)c1 2148778751 SAAVFJOWLGVPBN-WDEREUQCSA-N 301.383 1.750 10 10 DDCE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCc1ccc(N)cc1 1993320682 NVUNNWQUQSBCQY-ZDUSSCGKSA-N 323.393 1.161 10 10 DDCE Cc1cccc(CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1O 1994449586 HIKGSGLZNHKNEI-GFCCVEGCSA-N 324.377 1.202 10 10 DDCE CC(C)OC(=O)NS(=O)(=O)Nc1ccc(O)c(Cl)c1 163234724 FCGHRJAIFXDSDE-UHFFFAOYSA-N 308.743 1.837 10 10 DDCE NCc1cc(F)c(N2CCC[C@@]23CC[S@@](=O)C3)c(F)c1 2158465190 OKPCYRPJSHRRRU-VBKZILBWSA-N 300.374 1.915 10 10 DDCE C[C@@H](c1cc([N+](=O)[O-])ccc1O)n1cc(C(=O)N(C)C)cn1 2069900631 AJUSNIUPXHVHPY-VIFPVBQESA-N 304.306 1.808 10 10 DDCE C[C@H](c1cc([N+](=O)[O-])ccc1O)n1cc(C(=O)NC2CC2)cn1 2069943199 UULUNKBCXHZTIE-SECBINFHSA-N 316.317 1.998 10 10 DDCE CCOC(=O)c1c(C2CC2)nn2c(O)cc(CC(=O)OC)nc12 2080933581 PDAMKASJBFJDHY-UHFFFAOYSA-N 319.317 1.205 10 10 DDCE COCCN(c1ccc(CN)cc1Br)C1COC1 2073287063 MJNKPCPXIHBJNO-UHFFFAOYSA-N 315.211 1.759 10 10 DDCE O=S1(=O)CC[C@H]2CN(Cc3ccc(Cl)cc3O)C[C@H]21 2090128326 GQJCEKCNPHYUOX-GXFFZTMASA-N 301.795 1.665 10 10 DDCE CNCc1cc(OC)ccc1N(C)[C@H](C)CS(C)(=O)=O 2235953911 HWWXOAZVECMELD-LLVKDONJSA-N 300.424 1.284 10 10 DDCE CO[C@@H]1[C@@H](O)C[C@H]1NCc1cccc(Br)c1O 2249810856 VLCUSXLMHHJVKK-SCVCMEIPSA-N 302.168 1.393 10 10 DDCE CSc1ncc(CN2CC(=O)N[C@H](C(C)(C)C)C2=O)s1 2284666806 QLJKQRUWNTVKMN-JTQLQIEISA-N 313.448 1.738 10 10 DDCE CSc1ncc(CN2C(=O)[C@@H](C3CC3)NC(=O)[C@H]2C)s1 2284666208 OGDGSWMMSHQKFE-GMSGAONNSA-N 311.432 1.491 10 10 DDCE CN(Cc1ccc(Br)cc1O)[C@@H]1CNC[C@@H]1F 2303697923 OMEMCDGFJWVOIK-WDEREUQCSA-N 303.175 1.896 10 10 DDCE COC1(CO)CN(c2ccc(CO)cc2Br)C1 1951092328 UHZXIFBOPKLLNV-UHFFFAOYSA-N 302.168 1.139 10 10 DDCE CN(C)c1ccc(CN[C@H]2CCC[C@@H]2S(C)(=O)=O)cc1F 182683896 HVUWHIGLXBAWKE-ZFWWWQNUSA-N 314.426 1.947 10 10 DDCE CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(N)cc2)cc1 36283893 KGXJUANFCUFUJG-UHFFFAOYSA-N 305.359 1.429 10 10 DDCE CN(Cc1ccccc1O)C(=O)NCc1cc(C(N)=O)co1 187993040 CWMOAKXBDQBMHO-UHFFFAOYSA-N 303.318 1.426 10 10 DDCE CCc1sc(NN(C)S(=O)(=O)C(C)C)nc1CC(=O)O 2365338392 BWNMRBAKAJINSV-UHFFFAOYSA-N 321.424 1.330 10 10 DDCE Cc1ccc(CNCCCCCCS(N)(=O)=O)c(O)c1 2364246317 HTGPVZFVXGUDJY-UHFFFAOYSA-N 300.424 1.639 10 10 DDCE COc1cc(I)cc([C@@H](N)C(=O)O)c1O 220893130 BLVYNGHARYMUMF-SSDOTTSWSA-N 323.086 1.090 10 10 DDCE Nc1ccc(CCN2CC[C@H](S(=O)(=O)C(F)F)C2)cc1 2368585422 DUVQCKUQZJMIQY-LBPRGKRZSA-N 304.362 1.523 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(-c2ccccn2)c1C(C)C 808501412 IRVUEANZPGSBBE-UHFFFAOYSA-N 315.329 1.706 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C(N)=O)c1 808095482 GVNNNQDCFZTHQZ-UHFFFAOYSA-N 319.357 1.907 10 10 DDCE CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 906386349 UEXWYTSCBBDXOA-RRQGHBQHSA-N 318.417 1.810 10 10 DDCE C[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)N1CCCCC1=O 588614197 QQXNLQBELCKSTP-XYLWRLHESA-N 318.373 1.628 10 10 DDCE O=C(NCc1ccccc1O)c1cc2c(nc1O)CCOC2 901125859 ZOUPJLLBPVZPAY-UHFFFAOYSA-N 300.314 1.496 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 831261294 KQPBJMRBUIYUNQ-ZSBQVDODSA-N 305.330 1.031 10 10 DDCE Cc1cc(O)c(CN2CCC[C@]3(C2)NC(=O)NC3=O)c(Cl)c1 840941107 SBZVPAABTZFJRJ-OAHLLOKOSA-N 323.780 1.528 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCn2nncc2C1 847319136 SYRPCHFDLMISGA-UHFFFAOYSA-N 314.393 1.378 10 10 DDCE CN(C/C=C/c1ccc(N(C)C)cc1)CC(=O)N1CCNCC1 843044032 AGELIXUOVJNTOM-SNAWJCMRSA-N 316.449 1.129 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O 844987687 CBPZPXLPWQMAQW-DFFLPILJSA-N 321.446 1.476 10 10 DDCE Cn1nnc2c1C[C@H](NC(=O)N1Cc3cccc(O)c3C1)CC2 927864686 UNQDBERZMBJUGS-LLVKDONJSA-N 313.361 1.103 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)COCC3CC3)C2)cc1 855230391 CVSYJEDRMDPEJU-CQSZACIVSA-N 304.390 1.817 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cc3[nH]cnc3C)C2)cc1 855223402 GPDSBOIXXOOFAH-CYBMUJFWSA-N 314.389 1.664 10 10 DDCE COC[C@@H](CCCN)N[C@H]1CCN(c2ccc(OC)cc2)C1 854217091 ISIXFBFDBYXVOR-LSDHHAIUSA-N 307.438 1.617 10 10 DDCE COc1cccc(CNC(=O)c2nc([C@@H]3C[C@H]3C)no2)c1O 865925529 LZPOFHLGAOUUTN-PSASIEDQSA-N 303.318 1.837 10 10 DDCE C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nnc(O)n1C 866061821 SGPZSFNJYFQXLE-SNVBAGLBSA-N 318.381 1.147 10 10 DDCE CC(=O)N1CCC(C(=O)NCc2cccc(Cl)c2O)CC1 890757467 DWHMQDODRZMJSH-UHFFFAOYSA-N 310.781 1.920 10 10 DDCE COC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(F)cc(F)c1O 895867613 WYRGGSSTGMRURB-YPMHNXCESA-N 315.316 1.871 10 10 DDCE O=C1NC[C@@H](C(=O)NCc2c(O)cccc2O)c2ccccc21 1156885808 ORWWVLKPOVUOJR-GFCCVEGCSA-N 312.325 1.241 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@H](c3nnc(N)o3)C2)c(O)c1O 1168469276 KRGVEYVANMHXRV-VIFPVBQESA-N 318.333 1.391 10 10 DDCE CCCN(CC1CC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1331986262 NHBHOGQGDYANPN-UHFFFAOYSA-N 302.374 1.883 10 10 DDCE COc1ncc(S(=O)(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)s1 1912209541 AYAQAMNSDWMFIP-QMMMGPOBSA-N 317.396 1.863 10 10 DDCE NC(=O)COc1ccccc1C(=O)N1Cc2cccc(O)c2C1 1455036921 LGKMCHALYAWGDR-UHFFFAOYSA-N 312.325 1.412 10 10 DDCE O=C(CCn1cnccc1=O)NCc1ccc2cccnc2c1O 1299726032 PWJZEIMNTPDDLX-UHFFFAOYSA-N 324.340 1.204 10 10 DDCE COc1cc(CNN2CCN(C)CC2)ccc1N1CCCC1 212665521 YHDVDUISOFLJKB-UHFFFAOYSA-N 304.438 1.547 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)NCc1ccccc1O 228062321 JIVRABIOUSOYNK-UHFFFAOYSA-N 301.755 1.258 10 10 DDCE COC(=O)[C@H](CC(F)(F)F)NC(=O)Cc1ccc(O)c(O)c1 1633567882 YPHHZIPKVRHBOK-QMMMGPOBSA-N 321.251 1.251 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCC(OCCO)CC2)cc1 1631885082 IRFIRQBJUUABNU-UHFFFAOYSA-N 320.349 1.463 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1scc2c1OCCO2 1566358466 DLADXIMRDDMFQI-UHFFFAOYSA-N 307.327 1.861 10 10 DDCE O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cccc(O)c1O 1644710679 JDVQYZWGZDURPC-UHFFFAOYSA-N 302.286 1.865 10 10 DDCE O=C1NC[C@@H](C(=O)NCc2ccc(O)c(O)c2)c2ccccc21 1595595713 JOYANRVFPYCROW-CYBMUJFWSA-N 312.325 1.241 10 10 DDCE COc1ccccc1[C@H](O)C(=O)NCc1c(O)cccc1O 1597574151 ISMAAHWNCKWPDE-HNNXBMFYSA-N 303.314 1.456 10 10 DDCE C[C@@H](NC(=O)c1nnn(-c2ccc(N)cc2)n1)c1ccccc1 1857879140 VVMKAOKXFCCGGM-LLVKDONJSA-N 308.345 1.736 10 10 DDCE COc1ccc(CN[C@H](C)[C@H](O)C(F)(F)F)c(O)c1OC 895759495 HNWAQGXLOQWHKX-KRTXAFLBSA-N 309.284 1.811 10 10 DDCE CN(CC(F)(F)CO)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 2150989497 IXKJJNPZBYVFQM-JTQLQIEISA-N 305.712 1.356 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@@H](NCc2cc(F)cc(F)c2O)C1 2145415982 YVYBPJFGOAXXFR-GHMZBOCLSA-N 305.346 1.726 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@@H]12 1980368825 CKRFTOZEPQDHSR-NBBQORCYSA-N 322.405 1.555 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCCCC(F)F)cc1 2146158348 KIKVJYLWAFEVTJ-UHFFFAOYSA-N 308.350 1.612 10 10 DDCE Oc1cc(Br)ccc1CNC[C@H]1C[C@H](O)CCO1 2036683855 UOUNDKLAONYEAF-VXGBXAGGSA-N 316.195 1.784 10 10 DDCE Cc1cc(NS(=O)(=O)N2CCCC[C@@H]2CO)ccc1O 2157772443 KNUBZMWURDZSCT-GFCCVEGCSA-N 300.380 1.204 10 10 DDCE CN(C[C@H]1C[C@@H]1C(F)F)S(=O)(=O)Cc1ccc(N)cc1 2159756997 BIEPAVFQDGUSMV-PWSUYJOCSA-N 304.362 1.932 10 10 DDCE CCCS(=O)(=O)N[C@H](C)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 701318537 IHZRTZCCJXAHGR-NXEZZACHSA-N 303.388 1.006 10 10 DDCE C[C@H]1CN(Cc2ccc(F)c(F)c2O)C[C@H](C)S1(=O)=O 703556519 PNTGQQKUTDBMBK-IUCAKERBSA-N 305.346 1.678 10 10 DDCE COc1ccc(O)c([C@@H](C)NCCCCS(N)(=O)=O)c1 380741563 MDOMJQOOUWJRCU-SNVBAGLBSA-N 302.396 1.120 10 10 DDCE COCC1(O)CN(c2ccc([C@H](C)N)cc2Br)C1 384132505 LMTATKKEDAMZQQ-VIFPVBQESA-N 315.211 1.666 10 10 DDCE CN(Cc1ccc(N)cc1)c1nc(Br)cc(=N)[nH]1 2053553964 PZCULNQAGKYMKP-UHFFFAOYSA-N 308.183 1.870 10 10 DDCE COc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])sn1 2225800036 NOJPBHJLZWCZET-NKWVEPMBSA-N 303.369 1.661 10 10 DDCE Cc1ccc(CN2CC([C@H](O)CO)C2)c(O)c1Br 2327800088 FXCJUQLHLMZVKL-LLVKDONJSA-N 316.195 1.248 10 10 DDCE CN(C)c1ccc(CNC(=O)N2[C@H]3CC[C@H]2CC(O)C3)cc1 111429863 ZUPAWURWQZNPDE-GJZGRUSLSA-N 303.406 1.950 10 10 DDCE CC(C)N(C)CCCCNS(=O)(=O)Cc1ccc(N)cc1 45665548 WXQQGKMWQZPRDG-UHFFFAOYSA-N 313.467 1.809 10 10 DDCE Cc1ccc(C(=O)N2CCS(=O)(=O)C(C)(C)C2)c(O)c1O 271229616 ASVACUJODFSQQR-UHFFFAOYSA-N 313.375 1.055 10 10 DDCE CCN1CC[C@H](CNCc2ccc([N+](=O)[O-])c(OC)c2O)C1 278880512 OCGCKQZOWJYHOG-LLVKDONJSA-N 309.366 1.740 10 10 DDCE CC(=O)C(=O)COC(=O)CCc1nnc(-c2ccccc2)o1 808498836 XPFHZUCJCZWVFC-UHFFFAOYSA-N 302.286 1.371 10 10 DDCE CC[C@H](Cn1cncn1)NCc1ccc(N2CCOCC2)cc1 810212464 BNSFGRNZGGLTAQ-MRXNPFEDSA-N 315.421 1.683 10 10 DDCE CN(Cc1ccccc1O)C(=O)NCCO[C@@H]1CC1(F)F 821450176 GDHFLBCHHZXXQG-GFCCVEGCSA-N 300.305 1.958 10 10 DDCE CO[C@]12CCC[C@@]1(C(=O)NCCc1ccc(O)c(O)c1)CCO2 821061858 YTBFDCPMXWISBA-IRXDYDNUSA-N 321.373 1.690 10 10 DDCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1CCN 903977035 HJJROZKUBCBCIB-NVXWUHKLSA-N 303.450 1.940 10 10 DDCE O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)N1Cc2cccc(O)c2C1 926677000 NCPZRSSXJSHHLP-JMSVASOKSA-N 304.346 1.221 10 10 DDCE C[C@H]1[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CCN1C 922556915 KGHXJEYFHHYHTI-BBRMVZONSA-N 307.413 1.845 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC[C@@H](N)C3)C2)cc1 851639125 BJOVIGQYVGNIAS-KFWWJZLASA-N 317.433 1.908 10 10 DDCE O=C(CCOCC1CC1)NCc1ccc(N2CCOCC2)cc1 751361764 CBJJXZXPCXMDJC-UHFFFAOYSA-N 318.417 1.956 10 10 DDCE Cc1ccc(O)c(CNC(=O)NCCc2cncc(C)n2)c1 858615703 KBBMWLXCQLDHBR-UHFFFAOYSA-N 300.362 1.841 10 10 DDCE CN(C)C[C@](C)(O)CNC(=O)c1cc2cc(O)c(O)cc2s1 1119524767 YVAQLADYPNZOAH-OAHLLOKOSA-N 324.402 1.355 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC1CC2(C1)CC2(F)F 1118730143 YWSKGOFWAZDOQJ-UHFFFAOYSA-N 324.327 1.655 10 10 DDCE CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 898546624 RQKWGYLIOOUERS-JOYOIKCWSA-N 311.309 1.461 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@@H](O)CC(F)(F)C2)cc1 786687306 KKTYATJPYSDARB-ZDUSSCGKSA-N 313.348 1.664 10 10 DDCE CN1CCC[C@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CC[C@@H]21 1137305494 LWVWFNDQWWOTLZ-KBPBESRZSA-N 304.390 1.583 10 10 DDCE CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1142892116 OLXGLYZNPRGANC-ZJUUUORDSA-N 319.365 1.882 10 10 DDCE Nc1ccc(CC(=O)OCCS(=O)(=O)C(F)(F)F)cc1 693535332 QLUAOTKIFCTZHS-UHFFFAOYSA-N 311.281 1.289 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cccc2nc(CO)[nH]c12 1153798951 YQXCSOZDECAOKR-UHFFFAOYSA-N 313.313 1.396 10 10 DDCE CCOC(=O)C1(C(=O)NCc2cc(O)ccc2O)CCCC1 1303225521 KGVJGPITNWONKM-UHFFFAOYSA-N 307.346 1.838 10 10 DDCE Cc1ccc(C(=O)Nc2ccc(OCCO)nc2)c(O)c1O 1179259281 QOFGYHQNWTYDKX-UHFFFAOYSA-N 304.302 1.425 10 10 DDCE CCOC(=O)C1(C(=O)NCc2cccc(O)c2O)CCCC1 1347233225 FQLGYLNGIMTSCZ-UHFFFAOYSA-N 307.346 1.838 10 10 DDCE C[C@@H](NC(=O)NCc1nc(C2CC2)n[nH]1)c1ccccc1O 1478716347 VBDVSLJOQIAISC-SECBINFHSA-N 301.350 1.948 10 10 DDCE C[C@@H](NC(=O)/C=C\c1ccc(C(N)=O)o1)c1ccccc1O 1471196405 ZVGAADWJZKTVHK-UJICNMFASA-N 300.314 1.975 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cncc(-n2ccnn2)c1 1471642036 GRVFVUVETUPDMM-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1ncccc1S(C)(=O)=O 1545500958 AGNZGNMOLCHKOR-UHFFFAOYSA-N 320.370 1.463 10 10 DDCE CCC[C@@H](O)[C@@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 1556966584 MBMNYDCVLKGCFB-VXGBXAGGSA-N 308.338 1.101 10 10 DDCE O=C(CSc1n[nH]c(O)n1)NCc1cc(Cl)ccc1O 1628667028 OHYOTXMWEXRYDF-UHFFFAOYSA-N 314.754 1.278 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@H]1CCCN(C(=O)C2CC2)C1 1558534715 XFYKNEAYIRPVGD-LBPRGKRZSA-N 318.373 1.363 10 10 DDCE COc1ccc(CNCC2(NC(=O)C(N)=O)CCCC2)cc1C 1568005079 WLOLWPIRDGOVBQ-UHFFFAOYSA-N 319.405 1.008 10 10 DDCE NC(=O)[C@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 1639779889 VFASNXMHHJQNTE-OCAPTIKFSA-N 306.343 1.306 10 10 DDCE C[C@H]1CN(c2ccc(CN)c(Br)c2)CC(=O)N1C 1925972380 VPKXQGMPTWMQJO-VIFPVBQESA-N 312.211 1.575 10 10 DDCE COc1ccc(CNC[C@H](C)N(C)C(=O)c2ncc[nH]2)cc1C 1732417330 UKLLXEBILXSUGP-ZDUSSCGKSA-N 316.405 1.977 10 10 DDCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1COCCO1 1693459750 VOEQVBCLTDXYHO-CQSZACIVSA-N 318.377 1.344 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NCc1ccc(O)c(O)c1 1937554098 FMDJMCKRQNQXJQ-NWDGAFQWSA-N 324.377 1.480 10 10 DDCE COc1cc(Cl)cc(CNC[C@H]2C[C@H](O)CCO2)c1O 2154225789 FUWLNOLTHTUVQW-VXGBXAGGSA-N 301.770 1.684 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@H](OCC(C)C)C3)c2n1 2063460819 GOEYEYJINLMBQD-GFCCVEGCSA-N 318.377 1.630 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H](CO)CC(C)(C)C)c2n1 2063694950 NZJOTDCITYSDIP-JTQLQIEISA-N 306.366 1.270 10 10 DDCE COc1ccc(N(C)CCS(=O)(=O)C(C)C)c(CN)c1 2235956578 BVHWDVRMPYDEQT-UHFFFAOYSA-N 300.424 1.413 10 10 DDCE COc1ccc(C=CC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 2296827837 SNWSLOFPOOSCPR-UHFFFAOYSA-N 300.314 1.685 10 10 DDCE O=C1NC(=S)N(CCc2ccccc2)C(=O)C1=CNC1CC1 2296917065 BEYSQDJACFONMB-UHFFFAOYSA-N 315.398 1.108 10 10 DDCE Cc1ccc(NC=C2C(=O)NC(=S)N(C)C2=O)cc1Cl 2297366548 RGOYKIFDHYCNJR-UHFFFAOYSA-N 309.778 1.817 10 10 DDCE Cc1ccc(CNC(=O)C(C)(C)ON)c(O)c1Br 2327592361 SUHQCFUFLFSDKC-UHFFFAOYSA-N 317.183 1.748 10 10 DDCE Cc1ccc(CNC(=O)CC2(N)CC2)c(O)c1Br 2327798718 LIFMRUMYFRUKNZ-UHFFFAOYSA-N 313.195 1.961 10 10 DDCE COC(C)(C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 171665508 UZDMNMDRHLHMOX-UHFFFAOYSA-N 320.433 1.937 10 10 DDCE C[C@@H](N)c1ccc(N(C)C(CO)CO)cc1Br 310374302 YONGAQSNQMBAOS-MRVPVSSYSA-N 303.200 1.258 10 10 DDCE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc(O)c1O 187133312 COSPROXTHZFGRM-VIFPVBQESA-N 303.362 1.809 10 10 DDCE Nc1ccc(NS(=O)(=O)N2CCc3ccccc3C2)cc1 36283785 XMOXIYPFRANGQZ-UHFFFAOYSA-N 303.387 1.984 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@H](C)C(=O)O 49051551 URZVXDKQULUJRP-LLVKDONJSA-N 314.407 1.377 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@]3(C)CCCO3)CC2)cc1 267938721 SBRBQSKZVSZXJM-KRWDZBQOSA-N 304.390 1.913 10 10 DDCE NC(=O)N[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 271352002 PUXHWAHGYNJBLP-OAHLLOKOSA-N 302.422 1.920 10 10 DDCE Cc1cc(O)c(CN2CCC[C@@H]2CS(N)(=O)=O)cc1Cl 824813708 HYBDTNMLYBYYDH-LLVKDONJSA-N 318.826 1.607 10 10 DDCE CN1C[C@@H](O)C[C@@]1(C)C(=O)NCCCSc1nccs1 900683783 RUVUUFKWWBHUSD-GWCFXTLKSA-N 315.464 1.197 10 10 DDCE C/C=C/[C@H](O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 900387105 QPBFUUUFQUTAMB-GJZCMGGKSA-N 304.390 1.637 10 10 DDCE O=C1[C@@H](NCc2cc(Cl)ccc2O)CCN1C1CCOCC1 747624710 SLZVXYHWYXGJGJ-AWEZNQCLSA-N 324.808 1.915 10 10 DDCE CO[C@@](C)(CO)CNC(=O)NCCCSc1nccs1 847336556 RNTAGEKUDSANGT-GFCCVEGCSA-N 319.452 1.322 10 10 DDCE CO[C@@](C)(CO)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 847356243 QBRJNBDTOGBENR-BLLLJJGKSA-N 309.410 1.510 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)C1CCOCC1 740740360 QAEFPQZHWIPGMI-MRXNPFEDSA-N 306.406 1.499 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@H]1CCO[C@@]2(CCOC2)C1 921763545 YKLNGCFMEIODAR-ZBEGNZNMSA-N 324.352 1.669 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)cc1F 851657059 UNPDHOZBYLSSOB-DGCLKSJQSA-N 312.364 1.472 10 10 DDCE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)Nc2ccc(N)cc2)n1 859698196 SLVBPQCYDHNNCV-NWDGAFQWSA-N 303.322 1.612 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CC4(COC4)C3)c(Br)cc21 697097846 LALBFXLKXXHMIU-LLVKDONJSA-N 324.178 1.238 10 10 DDCE Nc1ccc(NC(=O)C(=O)NC2([C@@H]3CCCCO3)CCC2)cc1 868317182 FKEYLVGKYMCEOK-AWEZNQCLSA-N 317.389 1.815 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H](O)C2CCOCC2)c1 761971691 AQFAOTZTLYVIJT-BONVTDFDSA-N 309.362 1.366 10 10 DDCE CC1(C)CN(S(=O)(=O)N2Cc3cccc(O)c3C2)CCO1 867690964 OTTYIERTQIMOEX-UHFFFAOYSA-N 312.391 1.063 10 10 DDCE COC(=O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)n1C 871205411 RXTHYTQYJVNZFP-UHFFFAOYSA-N 300.314 1.673 10 10 DDCE COCCN(Cc1ccnn1C)C(=O)c1cccc(O)c1O 787857999 JKEMMELLBUNNRM-UHFFFAOYSA-N 305.334 1.120 10 10 DDCE CN(C)c1ccc(CNC(=O)NCc2cn(C)nn2)cc1F 783014306 XMPWUOKPMJESNQ-UHFFFAOYSA-N 306.345 1.020 10 10 DDCE NCc1ccc(N2CC3(COC3)C2)c(F)c1Br 704468264 KTUVUOLRVIRGDZ-UHFFFAOYSA-N 301.159 1.884 10 10 DDCE CCOCCOC[C@H](O)CNCc1cc(Cl)cc(C)c1O 792195101 DAFWUNRKRXSGIP-CQSZACIVSA-N 317.813 1.858 10 10 DDCE CC(C)OC(=O)N1CCC(NC(=O)c2cccc(O)c2O)CC1 790703426 YJJZOJVDBUJCEJ-UHFFFAOYSA-N 322.361 1.837 10 10 DDCE CCOc1cccc(CNCC2(C(=O)O)CCOCC2)c1O 1326500919 LSALYVLQMCCCRL-UHFFFAOYSA-N 309.362 1.762 10 10 DDCE COc1ccc(NC(=O)CCN2C(=O)CSC2=S)cc1 1865769343 XGYMQAZKONOKTG-UHFFFAOYSA-N 310.400 1.884 10 10 DDCE O[C@H]1CNC[C@H]1NC1CCN(c2ccc3c(c2)CCC3)CC1 1615753437 XJQIUXPFEJTAIZ-MSOLQXFVSA-N 301.434 1.066 10 10 DDCE Cc1cc(NCCNC(=O)c2cc(O)cs2)n2ncnc2n1 1629195604 XEVQRWRDEBUPQC-UHFFFAOYSA-N 318.362 1.042 10 10 DDCE CC(=O)N[C@@H](C(=O)NCc1cc(O)ccc1O)C1CCCC1 1637122594 JFNIKWXMHRZSOB-OAHLLOKOSA-N 306.362 1.409 10 10 DDCE CCN1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1=O 1569422480 KIDXGCKVOVRRGY-NSHDSACASA-N 303.322 1.200 10 10 DDCE C[C@@H]1C[C@H]2CC[C@H](C(=O)NCc3c(O)cccc3O)CN2C1 1647291244 VEMHASHBVBECLD-FRRDWIJNSA-N 304.390 1.834 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cc2cc[nH]c(=O)c2s1 1643882411 VVISZJOTKVXXCA-UHFFFAOYSA-N 316.338 1.931 10 10 DDCE C[C@@H](CS(C)(=O)=O)C(=O)NCc1c(O)ccc2ccccc12 1652709241 WUVXYXPXPJUPGD-NSHDSACASA-N 321.398 1.842 10 10 DDCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)Cc1ccccc1 1596905775 WTWOHCZNPOKJBC-WBMJQRKESA-N 315.369 1.749 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N[C@H]2CCSC2)cc1 231343807 PSBOZAJSLXHQLX-NSHDSACASA-N 302.421 1.073 10 10 DDCE CC(C)C(=O)N1CCC(C(=O)NCc2cc(O)ccc2O)CC1 1593873705 XCKUXXWTWHIKEI-UHFFFAOYSA-N 320.389 1.609 10 10 DDCE CCc1nnc(N(C)Cc2ccccc2O)n1CCC(=O)NC 1764723690 ZCUFBWQAXCVDMO-UHFFFAOYSA-N 317.393 1.319 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC(Cc4ccoc4)C3)c2n1 2062345173 PANBMFWCWKFDBY-UHFFFAOYSA-N 312.329 1.651 10 10 DDCE CN[C@]1(C(N)=O)C[C@H](Sc2nccs2)CC[C@@H]1COC 2183650142 IRDAAEYUQJDSSQ-GIPNMCIBSA-N 315.464 1.494 10 10 DDCE CN(Cc1cc(Br)ccc1O)[C@@H]1CC(=O)NC1=O 2051512571 AHSHWKLZAWTCHW-SECBINFHSA-N 313.151 1.002 10 10 DDCE Cc1ccc(O)c(CNCc2nnc(Br)n2C)c1 2057834854 HNARSLOYQWMNFA-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE COCCOCCOCCSc1ncc([C@@H](C)O)s1 2231773523 GKHBUJIVVGENPA-SNVBAGLBSA-N 307.437 1.968 10 10 DDCE Oc1c(Br)cccc1CN[C@H]1CCn2cnnc2C1 2228336980 PNHPDBMUZBXUDB-JTQLQIEISA-N 323.194 1.851 10 10 DDCE CSc1ncc(CNC(=O)[C@@]2(CCF)CCCN2)s1 2269088957 XFTZQFLRTPSZEN-LBPRGKRZSA-N 303.428 1.963 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](C)[C@@H]2C[C@H]2C(=O)O)s1 2284545148 WOQCXPPFBDQSJA-BWVDBABLSA-N 315.420 1.773 10 10 DDCE CCC(CC)ONS(=O)(=O)CCOc1ccc(N)cc1 2287411195 RCZABWJVGYDFLK-UHFFFAOYSA-N 302.396 1.687 10 10 DDCE COCCCC[S@@](=O)C[C@@H](O)COc1ccc(N)cc1 2287528813 APKYVCIKCFPMDI-RNODOKPDSA-N 301.408 1.184 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1CCN2CCCC[C@H]2C1 2307986939 OUYHSESPHLLYFQ-AWEZNQCLSA-N 302.374 1.808 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1c2ccccc2C[C@H]1O 2308001976 JUOJJOCZDZMCGS-SJLPKXTDSA-N 311.337 1.886 10 10 DDCE O=C(NCCCSc1nccs1)N[C@H]1CCC[C@H]1O 177853069 RRCWIMCOEQDJSN-VHSXEESVSA-N 301.437 1.838 10 10 DDCE CCOCCN1CCN(Cc2cc(OC)ccc2O)C[C@@H]1C 180086737 CNEGCDFRNVTGPQ-AWEZNQCLSA-N 308.422 1.943 10 10 DDCE NCc1ccc(N2CCN(CCO)CC2)c(Br)c1 212915073 ABEFVMLPSXQDFK-UHFFFAOYSA-N 314.227 1.022 10 10 DDCE NS(=O)(=O)c1cccc(CNCc2cccc(O)c2O)c1 41117678 IMZIBNONFJZXKN-UHFFFAOYSA-N 308.359 1.035 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn2c(-c3ccccc3)ccnc12 808503533 PZYGEINARGMTNO-UHFFFAOYSA-N 323.308 1.711 10 10 DDCE CN(C)c1ccc(CN2CCOC[C@@H](O)C2)c(C(F)(F)F)c1 294694724 CPOYIMBYQAZHLD-ZDUSSCGKSA-N 318.339 1.965 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1 811809149 ZEYAUINDBLGUQI-CYBMUJFWSA-N 313.405 1.832 10 10 DDCE C/C=C\[C@H](O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 900508248 LCOPEPOAFTXJQX-QGZUEGPWSA-N 304.390 1.717 10 10 DDCE COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccoc3)C2)cc1 849416954 GMWULJBVXMKXIQ-GFCCVEGCSA-N 322.386 1.845 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cc3cnn(C)c3)C2)cc1 855228689 CZXISJAEHPWIKA-AWEZNQCLSA-N 314.389 1.366 10 10 DDCE CC1(C)C[C@H](S(=O)(=O)NCc2ccc(O)cc2O)CO1 867417568 ZWIQVTSWSCQBTL-NSHDSACASA-N 301.364 1.085 10 10 DDCE O=C1OC[C@H]2CN(Cc3c(O)cccc3Br)C[C@@H]12 862547096 VYMCYZHTMJNKTD-RKDXNWHRSA-N 312.163 1.760 10 10 DDCE NCCCOCCNCc1cccc(Br)c1O 863484003 GIQUDBNDFPPUPW-UHFFFAOYSA-N 303.200 1.610 10 10 DDCE COc1cc([N+](=O)[O-])c(Br)c([C@H](N)CO)c1O 72199803 KIVDLIGSINDLAB-SCSAIBSYSA-N 307.100 1.064 10 10 DDCE CS(=O)(=O)C[C@@H]1CCN(Cc2ccc(Cl)cc2O)C1 1560852353 OGBJSEPVBNYLEI-SNVBAGLBSA-N 303.811 1.912 10 10 DDCE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)c3cccc(O)c3O)O2)[C@@H]1C 899485514 UDTSHEVJSLNKKR-UZTWBRENSA-N 321.373 1.800 10 10 DDCE CC(C)n1cnnc1SCC(=O)NCc1c(O)cccc1O 1156881159 RQXHIJVWUXATRG-UHFFFAOYSA-N 322.390 1.679 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@@H]2CCNC2=O)cc1Br 1916799565 IDWPMDMOLBSAJZ-QPUJVOFHSA-N 313.195 1.827 10 10 DDCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC(=O)N1C 1321204505 MKERYFFTBUWHDX-CYBMUJFWSA-N 321.396 1.325 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](c2cc(O)n[nH]2)C1 1452724640 GBFJMAZYBCGDMO-JRBALWBOSA-N 315.329 1.556 10 10 DDCE COc1cccc(CNC(=O)[C@@H]2CCCn3ncnc32)c1O 1294936040 CJKCYYVXFNRORD-LLVKDONJSA-N 302.334 1.186 10 10 DDCE NC(=O)c1ccc(CC(=O)NCc2cc(Cl)ccc2O)cn1 1469877154 NMAGLUNTLJXMGQ-UHFFFAOYSA-N 319.748 1.398 10 10 DDCE C[C@H](NC(=O)c1ccccc1-n1cnnn1)c1ccccc1O 1471194214 FYIRNAHTULWPIA-NSHDSACASA-N 309.329 1.859 10 10 DDCE NCc1ccc(N2CCN3C(=O)CC[C@H]3C2)cc1Br 228154937 XAESNFYRGNBWES-LBPRGKRZSA-N 324.222 1.719 10 10 DDCE COc1ccc(CN[C@H](C)CN(C)C(=O)c2cnon2)cc1C 1485933445 HPHLJRRLQXFWCB-GFCCVEGCSA-N 318.377 1.637 10 10 DDCE CC[C@H](C)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OC 1627474265 KDRVBOVBVFAWNG-JQWIXIFHSA-N 309.362 1.734 10 10 DDCE Cc1cc(C(=O)NC[C@H]2CNC(=O)C2)c(C)n1-c1ccccn1 1642824732 CQYVQJJUELSXFX-CYBMUJFWSA-N 312.373 1.355 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)Nc1nc(N)nc(Cl)c1N 1651733831 MMDMZRGQVWTLMZ-LURJTMIESA-N 309.757 1.749 10 10 DDCE CO[C@H](CCNC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1885557457 PMUBOLWXCPDQTQ-SECBINFHSA-N 301.347 1.343 10 10 DDCE O=S1(=O)C[C@H]2C[C@@H](CN(Cc3cccc(Cl)c3O)C2)C1 1972375083 DIVANPOPYFOURU-QWRGUYRKSA-N 315.822 1.912 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)cc2)[C@H]2COC[C@H]12 1977952766 TYBLDHXPKKLIAF-KFWWJZLASA-N 319.405 1.997 10 10 DDCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCCCN(Cc2ccccc2)C1 1980551451 HAXXSHKSDYRCNQ-MRXNPFEDSA-N 316.409 1.797 10 10 DDCE O=S1(=O)CCN(c2ccc(CNC3CC3)cc2Cl)CC1 163956152 MITIWLQHOGNZAL-UHFFFAOYSA-N 314.838 1.827 10 10 DDCE CCCS(=O)(=O)C[C@@](C)(O)[C@@H](NC)c1ccccc1O 2170548765 RLWMHWBJVKQWJM-UONOGXRCSA-N 301.408 1.229 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)c1c(F)cc(CO)cc1F 2170554674 SUGNSKVXTZWUEQ-VIFPVBQESA-N 307.362 1.717 10 10 DDCE CS(=O)(=O)N1CC[C@H](CNCc2cccc(Cl)c2O)C1 709853023 RZLKBICHTFRLFC-SNVBAGLBSA-N 318.826 1.417 10 10 DDCE O=C1C[C@H](C(=O)Nc2ccc(O)c(O)c2)[C@@H]2CCCC[C@H]2N1 2064264185 AZNHVFLNSVTYGM-SDDRHHMPSA-N 304.346 1.731 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)CC(C)(C)C(N)=S 2192599028 WFDFTGCBEWRFKU-UHFFFAOYSA-N 316.448 1.466 10 10 DDCE CCOC(=O)c1nnc(Sc2ncc(C(=O)OC)s2)o1 2182620650 XNKAJXUSWLEBJK-UHFFFAOYSA-N 315.332 1.641 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)cc1Br 2068405688 HPIAGOJLUYIGFO-WQHBLYJGSA-N 316.195 1.434 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)C1CC2(C1)OCCO2 2252836581 DNGNJXPQUAVCOT-UHFFFAOYSA-N 319.766 1.693 10 10 DDCE CSc1ncc(CN=c2[nH]c(NN)c(F)cc2F)s1 2269305611 YRKSSTMGTPGVCG-UHFFFAOYSA-N 303.363 1.858 10 10 DDCE Cc1ccc(CN2C[C@@H](O)[C@H](O)C2)c(O)c1Br 2307564807 DPTXDRCUWBKOHV-NXEZZACHSA-N 302.168 1.001 10 10 DDCE COc1ccc(N2CCN(C[C@@H](O)Cn3cccn3)CC2)cc1 51314546 CMTBLNUXJPPGPT-MRXNPFEDSA-N 316.405 1.075 10 10 DDCE CCNC(=O)CCN(Cc1ccccc1O)C[C@H]1CCCO1 111233015 HHDSXCOEEOMNIP-OAHLLOKOSA-N 306.406 1.899 10 10 DDCE CN(C[C@H]1CCCCO1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 301620930 MWZGHETYQNVHMT-SNVBAGLBSA-N 321.333 1.931 10 10 DDCE CCOCCOCC[S@@](=O)CCOc1ccc(N)cc1 2365624712 VABDNNATIFEYAM-HXUWFJFHSA-N 301.408 1.449 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC[C@](F)(C(F)F)C2)cc1 2362956185 LMPGMQBGPUIEAC-GFCCVEGCSA-N 308.325 1.778 10 10 DDCE COc1ccc2c(c1)NC1(CCN(C(C)=O)CC1)CN2CCN 75280994 NEXIPOQGPITIIT-UHFFFAOYSA-N 318.421 1.267 10 10 DDCE CN1CCCc2cc(CNC[C@H]3CCCS3(=O)=O)ccc21 133968804 FRMOVCZLXXXURW-OAHLLOKOSA-N 308.447 1.736 10 10 DDCE CNC(=O)CN(C)c1ccc(CN)c(Br)c1F 231838949 MNHMNWFWZGAMBF-UHFFFAOYSA-N 304.163 1.229 10 10 DDCE COc1cc(N2CCN([C@H]3CCOC3)CC2)cc(OC)c1OC 285069110 PAEDWFXPMLURBO-ZDUSSCGKSA-N 322.405 1.623 10 10 DDCE CS(=O)(=O)[C@@H]1CCCN(c2c(F)cc(CN)cc2F)C1 380491190 WHGPYQMCEZPLOH-SNVBAGLBSA-N 304.362 1.437 10 10 DDCE C[C@@H]1CNC[C@H]1CCNCc1ccc(N2CCOCC2)cc1 903974888 USYDQNFOWVXBRP-NVXWUHKLSA-N 303.450 1.858 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@@H](O)c2cnn(C)c2)cc1 835042486 IVQACJJPYKROPX-LAQIPUCWSA-N 300.406 1.823 10 10 DDCE CN(C)c1ccc(CNC(=O)NCCc2cn(C)cn2)cc1F 838029752 QEKFCPDPOHNPSA-UHFFFAOYSA-N 319.384 1.667 10 10 DDCE CCN(Cc1cc(C)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 732445389 JRGDEODHKSLOKH-CYBMUJFWSA-N 313.419 1.718 10 10 DDCE CN(Cc1cc[nH]n1)C(=O)NCc1ccc(N(C)C)c(F)c1 732699503 AKAIARGQYGUWGQ-UHFFFAOYSA-N 305.357 1.956 10 10 DDCE C[C@H]1CCCc2nc(S(=O)(=O)NCc3ccccc3O)cn21 841491939 GQMNYPREZKROFF-NSHDSACASA-N 321.402 1.965 10 10 DDCE COC(=O)C(C)(C)CS(=O)(=O)NCc1c(O)cccc1F 921452707 XDKRLWQKHCEHRM-UHFFFAOYSA-N 319.354 1.150 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC1(C)COC1 929536361 AONKPDSQLOZOQV-UHFFFAOYSA-N 318.417 1.908 10 10 DDCE Cc1ccc(C(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)c(O)c1O 855704761 YMQVIHDRHCBRPI-UWVGGRQHSA-N 313.375 1.102 10 10 DDCE O=C1C[C@H](CCNCc2ccc(N3CCOCC3)cc2)CN1 922785007 MTOAETRNZMTTOR-HNNXBMFYSA-N 303.406 1.139 10 10 DDCE CON(C)C(=O)[C@H](C)NCc1cc(Cl)cc([N+](=O)[O-])c1O 858319547 BKXXBMPIDQSBSG-ZETCQYMHSA-N 317.729 1.452 10 10 DDCE CCOC(=O)C1=CC[C@@H](NC(=O)c2ccc(C)c(O)c2O)C1 862878874 XQTQFAJOEDTTII-LLVKDONJSA-N 305.330 1.788 10 10 DDCE C[C@@H]1NCC[C@H]1NC(=O)NCc1c(O)ccc2c1CCCC2 861700404 COWZNZLSGCEEJP-XHDPSFHLSA-N 303.406 1.821 10 10 DDCE O=S(=O)(CCC1CCOCC1)N1Cc2cccc(O)c2C1 867691411 VXPVLDNIHOBVIX-UHFFFAOYSA-N 311.403 1.854 10 10 DDCE COc1cc(C)cc(CN2CCN3C(=O)OCC[C@@H]3C2)c1O 763314858 OVCHCUUQWZNYER-CYBMUJFWSA-N 306.362 1.736 10 10 DDCE CN(C)c1ccc(CNC[C@@H](O)CC2(O)CCOCC2)cc1 872197539 NZCIHSYJVCMKFW-INIZCTEOSA-N 308.422 1.135 10 10 DDCE CC(C)CN1C[C@@H](C(=O)N2Cc3cccc(O)c3C2)CC1=O 871199103 SGZMNFQSUBIXKD-ZDUSSCGKSA-N 302.374 1.739 10 10 DDCE COc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1C 1117932622 CUBOMSZYUZXWRK-UHFFFAOYSA-N 302.378 1.767 10 10 DDCE CN1CCO[C@@H](CNCc2cc(Br)ccc2O)C1 105471209 DAQADDIQPKBPTR-LBPRGKRZSA-N 315.211 1.575 10 10 DDCE CN([C@@H]1CCCSC1)S(=O)(=O)Cc1ccc(N)cc1 689516788 BFURNUQDNVAZGS-CYBMUJFWSA-N 300.449 1.926 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC(n2ccnn2)C1 1153125136 BFVGSZFOKZFKEG-UHFFFAOYSA-N 316.342 1.601 10 10 DDCE C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1cc(O)ccc1O)CS2 1176747870 DJKJVMJBIWFGTL-IAQYHMDHSA-N 322.386 1.168 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ncc(Br)cn1 1176576854 UDAGOIFWUVMPEJ-UHFFFAOYSA-N 324.134 1.580 10 10 DDCE C[C@@H](NCc1nc(O)c2c(n1)CCOC2)c1cc(F)ccc1O 1335520141 HSXKKIVKIXHDOX-SECBINFHSA-N 319.336 1.950 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@](C)(CC(=O)O)C(=O)O)cc1 1350669102 XUKJOMCMGXFFDN-CHYADLBTSA-N 320.389 1.921 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)Nc1nccc(S(C)(=O)=O)n1 1458309503 HVQCAOVKSSTXLG-SECBINFHSA-N 323.374 1.334 10 10 DDCE CN(C)c1nnc(SCC(=O)Nc2ccc(N)cc2)s1 111315422 UQHWSTCGWSVQNW-UHFFFAOYSA-N 309.420 1.917 10 10 DDCE Nc1c(C(=O)NCc2ccc(O)c(O)c2)cnn1-c1ccccc1 1465955061 WKPRBASUTXCMRI-UHFFFAOYSA-N 324.340 1.796 10 10 DDCE C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nn(C)cc1O 1472237417 RAQHGBOZEWPFQS-XTULLQBASA-N 303.318 1.428 10 10 DDCE COc1ccc(N2CCCN(C(=O)c3n[nH]cc3F)CC2)cc1 1543358422 ISHOXLFWFDOWBA-UHFFFAOYSA-N 318.352 1.910 10 10 DDCE CCC(=O)N1CCC[C@@](CO)(NCc2ccc(OC)c(C)c2)C1 1700229141 IICFAZNHYJNWRH-GOSISDBHSA-N 320.433 1.857 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)Cc2ncc[nH]2)cc1C 1714286432 OXAMAWCHESZMEZ-CYBMUJFWSA-N 316.405 1.564 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)Cc2ccon2)cc1C 1714218113 PLQTWFHCVDLEAR-ZDUSSCGKSA-N 317.389 1.829 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCC(=O)Nc1cccnc1 1626241551 VEAZLOPUVPEWIW-UHFFFAOYSA-N 315.329 1.180 10 10 DDCE C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1626056390 BCHPDUYVCJKJEK-LDYMZIIASA-N 303.322 1.103 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1c(O)cccc1O 1635847165 IVBZIMVVDVWXHN-FNORWQNLSA-N 301.298 1.839 10 10 DDCE O=C(CCNC(=O)C1CCCCC1)NCc1cc(O)ccc1O 1643882144 PAASNQHUUNSYFQ-UHFFFAOYSA-N 320.389 1.801 10 10 DDCE O=C(CNC(=O)c1cccs1)NCc1ccc(O)cc1O 1570460824 FPJMKDKYKODREC-UHFFFAOYSA-N 306.343 1.206 10 10 DDCE CN1NC(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)C1=O 169996142 HHASXTRJXTUDGM-ZETCQYMHSA-N 315.251 1.153 10 10 DDCE CN1CCN(c2ccc(CN3CC[C@@]34CCOC4)cc2)CC1 1139410795 FLHNGNHXCRECFI-SFHVURJKSA-N 301.434 1.803 10 10 DDCE C[C@@H](COCC(=O)NCCN=[N+]=[N-])NC(=O)OC(C)(C)C 1885562289 DCPXZOVAOOGYCU-VIFPVBQESA-N 301.347 1.343 10 10 DDCE [N-]=[N+]=NCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F 43592581 OWGPMAGJPGIIGI-UHFFFAOYSA-N 303.275 1.713 10 10 DDCE COCC1(NCc2c(O)cccc2Br)COC1 2015357398 FREZWAQGAXYCMS-UHFFFAOYSA-N 302.168 1.660 10 10 DDCE C[C@H]1N(Cc2ccccc2)CC[C@]1(NCCCN=[N+]=[N-])C(N)=O 309920090 VNWOKDWQJLDLQX-CZUORRHYSA-N 316.409 1.795 10 10 DDCE CCN(CCS(=O)(=O)CCOC)c1ccc(CN)cc1 312369198 AKGXHVXBWZGPSP-UHFFFAOYSA-N 300.424 1.033 10 10 DDCE O=C(CNCc1c(O)cccc1Br)N1CCCC1 706851956 BKAFEXGUSVLNET-UHFFFAOYSA-N 313.195 1.867 10 10 DDCE CNCc1ccc(N2CC(O)(COC)C2)cc1Br 383992842 PKVLDOZELVBZII-UHFFFAOYSA-N 315.211 1.366 10 10 DDCE COc1ccc(O)c(Cn2cc(C(=O)NC3CC3)c(O)n2)c1 2070646062 QCSXLMMQBXMJCX-UHFFFAOYSA-N 303.318 1.243 10 10 DDCE COc1cc(OC)c(N(C)C[C@]2(O)CCOC2)cc1Cl 2285920665 VFUYQNUBSGIFPI-CQSZACIVSA-N 301.770 1.945 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)Nc1cccnc1-n1cncn1 2307986814 DKZGPZOQHMVXBE-UHFFFAOYSA-N 323.312 1.725 10 10 DDCE CSc1ncc(CNS(=O)(=O)CCCCCCN)s1 2338905190 ZFNUBGSMSYDTLQ-UHFFFAOYSA-N 323.509 1.804 10 10 DDCE COc1ccc(N2CCN(c3ncc(CO)s3)CC2)cc1 54910614 XWZMCOOZYGIQOP-UHFFFAOYSA-N 305.403 1.971 10 10 DDCE CN(C)c1cccc(NS(=O)(=O)c2ccc(CN)nc2)c1 121982297 XUKKTRAYNNVDLI-UHFFFAOYSA-N 306.391 1.407 10 10 DDCE COCCc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)n(C)n1 181222126 NOASSYQQUPCESC-GQCTYLIASA-N 317.345 1.672 10 10 DDCE Cc1nc(S(=O)(=O)N2CCC[C@H]2CN=[N+]=[N-])c(Cl)n1C 2364152791 XLSVDQBMTGRVNP-QMMMGPOBSA-N 318.790 1.845 10 10 DDCE Cc1cc(Cl)cc(CN2CCC[C@@]3(C2)NC(=O)NC3=O)c1O 193467121 OHKMMGRSIWDICO-HNNXBMFYSA-N 323.780 1.528 10 10 DDCE CCCN[C@@](CSc1nccs1)(C(N)=O)C(C)(C)OC 2366317963 DZLDDQFIWFRWRA-ZDUSSCGKSA-N 317.480 1.884 10 10 DDCE N[C@H](CCCO)c1ccc(I)cc1O 95782876 MJJBAQYSUPAAGW-SECBINFHSA-N 307.131 1.769 10 10 DDCE COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1ccc(N(C)C)cc1)C2 375679056 NNIQQSDXCYUUJG-MAUKXSAKSA-N 318.417 1.764 10 10 DDCE CCOc1ccc(O)c(CN2CC(n3cc([C@@H](C)O)nn3)C2)c1 374794445 AOEKJEXNAFNWHD-LLVKDONJSA-N 318.377 1.493 10 10 DDCE CCOC(=O)C1(C(=O)NCc2ccc(O)c(O)c2)CCOCC1 802784180 KBHTWBGZAYQIRV-UHFFFAOYSA-N 323.345 1.074 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 808521558 WFOOWNBMTJWMDC-NWDGAFQWSA-N 304.298 1.263 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](c1ccccc1)N1CCCCC1=O 808516455 JNNDMXFWGRALGI-INIZCTEOSA-N 317.341 1.442 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C 808550470 LSYLLEOEAWPGGD-LDYMZIIASA-N 321.304 1.735 10 10 DDCE COc1cccc(CNC(=S)Nc2ccc(C(N)=O)cc2)n1 726488034 MIHHCLHLICZAIY-UHFFFAOYSA-N 316.386 1.676 10 10 DDCE O=C(c1c[nH]nc1[C@@H]1CCNC1)N1CCc2ccc(F)cc21 662424447 STERMOQGTHRIAP-LLVKDONJSA-N 300.337 1.829 10 10 DDCE COc1cccc(CNC(=O)c2nnn(C(C)(C)C)n2)c1O 830541180 UCVYZGPROLFIJA-UHFFFAOYSA-N 305.338 1.072 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@H](C2)N3)cc1 841655668 TVUPKSJDTWEPPG-GASCZTMLSA-N 302.422 1.789 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3 845790883 FZJQSMJKTHBXBU-BMGIQWSVSA-N 300.358 1.265 10 10 DDCE COc1cccc(CNC(=O)N[C@H]2CNCCC2(F)F)c1O 842002039 DMRRBLBSPZOIRP-NSHDSACASA-N 315.320 1.197 10 10 DDCE O[C@@H](CNCc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 858227438 UKKKPGKQJISBTH-DLBZAZTESA-N 306.406 1.153 10 10 DDCE COc1ccc(O)c([C@@H](C)NCC(=O)N2CCOC(C)(C)C2)c1 930217058 RNWRXPQBCYSQBI-GFCCVEGCSA-N 322.405 1.689 10 10 DDCE COc1ccc(CNC(=O)[C@@]2(CC(C)C)CCNC2=O)c(O)c1 867956419 QWXMIHZJFBSHQD-QGZVFWFLSA-N 320.389 1.569 10 10 DDCE O=C(CNC(=O)c1ccsc1)NCc1ccc(O)c(O)c1 769600893 ALOGJPRHSJBVON-UHFFFAOYSA-N 306.343 1.206 10 10 DDCE CC[C@@H](CSC)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1118951172 SBSHKHFEWDAPCO-LBPRGKRZSA-N 322.430 1.834 10 10 DDCE CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 773743756 KALZHHGQRPJZQT-JOYOIKCWSA-N 324.402 1.066 10 10 DDCE CCOC(=O)[C@@H](CC1CC1)NC(=O)/C=C\c1ccc(O)c(O)c1 779530604 KGYFVOBMEHPZKR-FWPCIQOSSA-N 319.357 1.959 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cc(O)ccc1[N+](=O)[O-] 788305462 BFDFWZOHFCBWDD-UHFFFAOYSA-N 318.285 1.684 10 10 DDCE COc1ccc2c(c1)NC1(CCNCC1)CN2[C@H](C)C(=O)O 76931219 NXESMUYKFHPSGE-LLVKDONJSA-N 305.378 1.522 10 10 DDCE C[C@H]1CN(Cc2cc(F)cc(F)c2O)[C@@H](C)CN1CCO 895026677 YSSZSRVYRZWESR-QWRGUYRKSA-N 300.349 1.557 10 10 DDCE Oc1c(F)cc(Br)cc1CN[C@@H]1COC[C@@H]1O 715817315 GWOTUXQHVBSCRX-ZJUUUORDSA-N 306.131 1.143 10 10 DDCE CSc1nc(O)cc(CNC(=O)Cc2ccc(O)c(O)c2)n1 1163578983 ZUVYIBXSYBYHBN-UHFFFAOYSA-N 321.358 1.174 10 10 DDCE O=C(CCNC(=O)c1ccco1)NCc1cc(O)ccc1O 1176748091 JIXCXPREUBVSCO-UHFFFAOYSA-N 304.302 1.127 10 10 DDCE C[C@H]1N(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCOC1(C)C 1332018035 CBIAZRCVQDJCJE-LLVKDONJSA-N 318.373 1.260 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)c2ccco2)cc1C 1272351479 LYAFGTVURPYNGZ-CQSZACIVSA-N 318.373 1.477 10 10 DDCE NC(=O)Nc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1290484107 CXEBQZWPAPLVPI-UHFFFAOYSA-N 301.302 1.770 10 10 DDCE C[C@H](N)c1ccc(N(CCO)C2COC2)cc1Br 1915538966 NVPDBZANAIBZMY-VIFPVBQESA-N 315.211 1.666 10 10 DDCE COc1cc(CN2C[C@@H](C)O[C@H](C)C2)ccc1N1CCNCC1 212638047 FQBKCJIJEFTMTE-HUUCEWRRSA-N 319.449 1.714 10 10 DDCE O=C(NCC[C@@H]1C(=O)Nc2ccccc21)c1cccc(O)c1O 1463851652 JJSGFNFDVWTRPW-NSHDSACASA-N 312.325 1.954 10 10 DDCE Nc1ccc(CC(=O)N2C[C@@H](C(=O)O)[C@@H](C(F)(F)F)C2)cc1 1615631388 BEMOHGVXHFHWOH-MNOVXSKESA-N 316.279 1.533 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(O)[C@H](N)c1ccccc1O 1919779628 AEDJDZJZYOSZPG-XJKCOSOUSA-N 324.377 1.047 10 10 DDCE C[C@@H](CCN(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1 1626697138 CZPYZMOBPZYBCR-HNNXBMFYSA-N 319.449 1.727 10 10 DDCE CNCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1Br 2136616107 YUJMXVFQEOBNCJ-PJXYFTJBSA-N 324.222 1.336 10 10 DDCE CCCC(=O)NCC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1495429104 OBDJUHCJZGMVHJ-LLVKDONJSA-N 323.393 1.524 10 10 DDCE COCCOCCc1ncc(C(=O)NCc2ccccc2O)[nH]1 1630363427 PBFOUQQAKYBBJS-UHFFFAOYSA-N 319.361 1.251 10 10 DDCE CCN1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C(C)(C)C1 1645341439 OWNZBUKZQNCJHD-DDJMYBDESA-N 304.390 1.958 10 10 DDCE COc1ccc(N2CCN([C@@H]3CNC[C@H]3SC)CC2)cc1 164503254 LDGZTJJTWGAWLE-HZPDHXFCSA-N 307.463 1.521 10 10 DDCE COc1ccc(N2CCN([C@H]3CNC[C@H]3SC)CC2)cc1 164503385 LDGZTJJTWGAWLE-JKSUJKDBSA-N 307.463 1.521 10 10 DDCE O=C(CCN1C(=O)CSC1=S)Nc1ccccc1C(=O)O 1865769393 ZFSGVUSJVASWBX-UHFFFAOYSA-N 324.383 1.574 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](O)CNCc1ccc2c(c1)CCO2 1962868906 AKYBJSBRLUILQF-AWEZNQCLSA-N 322.405 1.597 10 10 DDCE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN=[N+]=[N-] 1885560796 ISWSWMXGRJIISE-SECBINFHSA-N 301.347 1.343 10 10 DDCE CS(=O)(=O)c1cnn(Cc2ccc(O)cc2O)c1Cl 2070245954 PGQBWMGJXZTMKE-UHFFFAOYSA-N 302.739 1.400 10 10 DDCE CC(C)N(CCS(C)(=O)=O)c1c(F)cc(CO)cc1F 2170176137 RLJRGIVNGGEJBR-UHFFFAOYSA-N 307.362 1.717 10 10 DDCE CCS(=O)(=O)C[C@H](C)NCc1cc2c(cc1O)OCO2 2170596297 FKIKWKZIQKZKNN-VIFPVBQESA-N 301.364 1.034 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@@H](O)C[C@H](O)C2)c(Br)c1 2043184276 JNXYGCFVNVFOAP-MIMYLULJSA-N 316.195 1.434 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1COc1nnc(=N)[nH]n1 2210653306 HMAUNBDXAWWMST-ZJUUUORDSA-N 324.385 1.141 10 10 DDCE C[C@@H]1CC[C@@H](COc2nnc(=N)[nH]n2)CN1C(=O)OC(C)(C)C 2210648293 WAUWYKFCQQCMOS-NXEZZACHSA-N 324.385 1.094 10 10 DDCE CNC1(C(=O)NCc2cnc(SC)s2)CC(OC)C1 2269200137 NADMXSRUPZUVPM-UHFFFAOYSA-N 301.437 1.248 10 10 DDCE CS(=O)(=O)[C@H](CNCc1cccc(Cl)c1O)C1CC1 2224612728 NCQPWGNZOYPSLN-GFCCVEGCSA-N 303.811 1.958 10 10 DDCE CSc1ncc(CNC(=O)C[C@H]2COCC[C@@H]2N)s1 2269089288 BAGXPSKJVIRWNO-WPRPVWTQSA-N 301.437 1.235 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@H]2CCCC[C@H]2O)s1 2269123654 KTSIXEGTWOQDEJ-ZJUUUORDSA-N 322.477 1.588 10 10 DDCE Cc1ccccc1C=C1SC(N(CCO)CCO)=NC1=O 2297580163 VVLUGCSFQCQPBA-UHFFFAOYSA-N 306.387 1.252 10 10 DDCE CN(C(=O)C=Cc1cccnc1)c1ccc(N2CCOCC2)nc1 2308588954 NPTRAQGLLJEPID-UHFFFAOYSA-N 324.384 1.989 10 10 DDCE O=C1N=C(O)/C(=C\N2CCOCC2)C(=O)N1c1ccccc1 109450945 LFSWIXIFHFRVKZ-ZRDIBKRKSA-N 301.302 1.326 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)C1=COCCC1 68420342 YNKXYLSXMWDDIG-UHFFFAOYSA-N 302.374 1.834 10 10 DDCE CCC(=O)N[C@@H](CCSC)C(=O)N(C)Cc1ccccc1O 79621533 FRNYDDXHXGLHLQ-ZDUSSCGKSA-N 324.446 1.999 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CCO[C@@]2(CCOC2)C1 187547376 PUVXIWVAMPMLJZ-SFHVURJKSA-N 318.417 1.515 10 10 DDCE CC(C)(C)OC(=O)NCC(=O)[C@H](N)Cc1ccc(O)c(O)c1 1952102863 JOERJWWGKQAXNI-SNVBAGLBSA-N 310.350 1.061 10 10 DDCE CC(C)[C@@H](NCc1cccc(Br)c1O)C(N)=O 223952870 DDKJBGRRVSXGFC-SNVBAGLBSA-N 301.184 1.754 10 10 DDCE COc1cc(Cl)c(N2C[C@H](OC)C[C@H]2CO)c(OC)c1 2368102364 CMJDNSSZZYOWTP-GXSJLCMTSA-N 301.770 1.943 10 10 DDCE COc1cc(Cl)c(N2CCC[C@](O)(CO)C2)c(OC)c1 2368299329 ODNOXPMUQSWCTM-CQSZACIVSA-N 301.770 1.681 10 10 DDCE COc1cc(Cl)cc(CN2CCN(C3CNC3)CC2)c1O 229104224 CZKZGZPFYTZMLA-UHFFFAOYSA-N 311.813 1.144 10 10 DDCE CCOC(=O)NCCNC(=S)N(C(C)=O)c1ccc(N)cc1 253468036 WOECVBGCGPJJDF-UHFFFAOYSA-N 324.406 1.242 10 10 DDCE COC(=O)/C=C/c1ccc(N2CCS(=O)CC2)c([N+](=O)[O-])c1 729263998 PMIIVBYFRQDCBR-HWKANZROSA-N 324.358 1.350 10 10 DDCE c1cnc2c(n1)CCN(Cc1ccc(N3CCOCC3)cc1)C2 827691818 CDUDMYKQCVUQRH-UHFFFAOYSA-N 310.401 1.872 10 10 DDCE N[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F 827007879 FUMLPZBWXWGXAE-LBPRGKRZSA-N 301.312 1.793 10 10 DDCE CC(=O)CC(=O)OCC/N=N/c1ccc(S(=O)(=O)O)cc1 585665458 QLEKHFVZNOYDKH-BUHFOSPRSA-N 314.319 1.539 10 10 DDCE C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C 919908845 KMVYLTQBYOCIFE-RHSMWYFYSA-N 314.433 1.955 10 10 DDCE CC(=O)Nc1ccc(O)c(C(=O)NCc2ccccc2O)c1 748345934 HOJSGHVJJWPXTO-UHFFFAOYSA-N 300.314 1.986 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cncc(C(N)=O)n1 840385300 UWAZACYNPZYSSE-GFCCVEGCSA-N 313.405 1.993 10 10 DDCE C[C@@H](NC(=O)N[C@H]1C[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 845123800 DXGVFUBDPFKXBX-RTXFEEFZSA-N 304.394 1.377 10 10 DDCE COc1ccc(N2CCC(NC(=O)C(C)(C)C(=O)O)CC2)cc1 844252451 RHBXOTBBQKSHTC-UHFFFAOYSA-N 320.389 1.891 10 10 DDCE CN1CCCc2cc(CNC(=O)COC3(C)CNC3)ccc21 844177261 DVKFYWVXBAQXMM-UHFFFAOYSA-N 303.406 1.064 10 10 DDCE C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)c1ccc(N)cc1 863558390 GMDBXKFTAKPYKI-GFCCVEGCSA-N 313.405 1.933 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O 863057297 IXVOSGJDUHPHGF-MOSKZFRGSA-N 321.398 1.623 10 10 DDCE C[C@@H]1COCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 767688397 XDJIFTDTRZCMAU-RHSMWYFYSA-N 318.417 1.812 10 10 DDCE CC(C)(C)n1nnc(CC(=O)N2Cc3cccc(O)c3C2)n1 871205656 JEWFXSNXAWNZSC-UHFFFAOYSA-N 301.350 1.219 10 10 DDCE CCN(CC(=O)NC)C(=O)c1cc2cc(O)c(O)cc2s1 895714740 IRABVFXVFPFBIS-UHFFFAOYSA-N 308.359 1.521 10 10 DDCE COC(=O)[C@@H]1CN(Cc2cc(F)cc(F)c2O)C[C@@H](C)O1 895393941 QIWMGALJWJGQEA-PELKAZGASA-N 301.289 1.433 10 10 DDCE Oc1c(F)cc(Br)cc1CN1C[C@@H]2C[C@]2(O)C1 895644861 GUOUWASGTOPZFF-UFBFGSQYSA-N 302.143 1.860 10 10 DDCE C[C@H](c1cc(F)ccc1O)N1CC[C@@H](NS(C)(=O)=O)C1 703139592 RGMHHWXPOXRBSW-MWLCHTKSSA-N 302.371 1.216 10 10 DDCE CNCc1cc(F)c(N2CCS(=O)(=O)[C@@H](C)C2)c(F)c1 707150379 FNNKLNCXVCMHJJ-VIFPVBQESA-N 304.362 1.308 10 10 DDCE O=C(CNCc1ccc(Br)cc1O)NCC(F)F 691487214 JICWOBRJAKWDKK-UHFFFAOYSA-N 323.137 1.626 10 10 DDCE COc1cc(S(=O)(=O)NCC2(CN=[N+]=[N-])CC2)sn1 2117726373 ZZUXWPGNKWYCPW-UHFFFAOYSA-N 303.369 1.521 10 10 DDCE N[C@H]1CC(C(=O)N2CCc3c(Br)cccc32)=C[C@H]1O 2131469299 LDZFEFLGKIYZHL-WCQYABFASA-N 323.190 1.357 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cc2cc[nH]c(=O)c2s1 1445900622 KHDOUDXYZQBTBL-UHFFFAOYSA-N 316.338 1.931 10 10 DDCE C[C@](O)(CNC(=O)Cc1ccc(O)c(O)c1)c1cccs1 1293987539 KITFRWYJEREQAF-HNNXBMFYSA-N 307.371 1.726 10 10 DDCE CN(CCF)c1cc2c(cc1Br)[C@H](N)C(=O)N2 1917037183 BTARCOVSNOGQAI-JTQLQIEISA-N 302.147 1.807 10 10 DDCE C[C@H]1CS(=O)(=O)CCN1c1ccc([C@@H](C)N)c(Cl)c1 228762502 PWVZHNABYVULHY-VHSXEESVSA-N 302.827 1.983 10 10 DDCE O=C(NCc1c(O)cccc1F)c1sccc1-n1cnnn1 1645048197 KYCKFYCHZRNFCZ-UHFFFAOYSA-N 319.321 1.499 10 10 DDCE CN(C[C@H](O)CN(C)c1ccc(N)cc1)C(=O)OC(C)(C)C 1959561086 RYBIFQJSSGUQFZ-CQSZACIVSA-N 309.410 1.933 10 10 DDCE C[C@@H](CCNC(=O)NCc1ccc(N(C)C)cc1)[S@@](C)=O 166841977 YQHGMVAHDRJJDO-QKVFXAPYSA-N 311.451 1.709 10 10 DDCE CCOc1cccc(CN2CC[C@@H](N3CCOCC3)C2)c1O 156015608 PXXODDPQYPSQFW-OAHLLOKOSA-N 306.406 1.697 10 10 DDCE CC(C)NCc1ccc(N(C)C2CS(=O)(=O)C2)c(F)c1 2152239497 LOIPVNUWEHZQAM-UHFFFAOYSA-N 300.399 1.557 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)cc1Cl 2177382264 YGKHBKWCFYASKR-AMIZOPFISA-N 318.801 1.561 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@@H]43)c2n1 2063691582 YJOOBMULRPPTLK-RTXFEEFZSA-N 316.361 1.431 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2C[P@@](C)(=O)C[C@H]2O)c1O 2177840306 VHZZLECMYMBKSA-SUTOTMHJSA-N 319.725 1.880 10 10 DDCE C[C@H](N)c1cc(F)c(N(C)[C@@H]2CCS(=O)(=O)C2)c(F)c1 2194715805 VEASPBQSZISLJU-WCBMZHEXSA-N 304.362 1.608 10 10 DDCE CNCc1ccc(N2CC(NC(N)=O)C2)c(Br)c1 2044811648 BHYXVLMHUWUQKN-UHFFFAOYSA-N 313.199 1.025 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@@H]3[C@H]2CO)cc1Br 2078275000 UKGJUUSTTAORAI-VHRBIJSZSA-N 311.223 1.986 10 10 DDCE CNCc1ccc(N(C)[C@@H](C)CS(C)(=O)=O)cc1OC 2204544990 JLCZXLLZNULBDP-NSHDSACASA-N 300.424 1.284 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)c1ccc(CO)c(OC)c1 2204546069 XKCXUGSZBJVXBV-LLVKDONJSA-N 301.408 1.447 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H]2[C@@H](O)CO)c(Br)c1 2258340089 NCIYCWBEXCVWON-HJIKLVIJSA-N 315.211 1.401 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)c1cn(C)c(Br)n1 2300531148 BWGYTYHHBJURSV-UHFFFAOYSA-N 301.148 1.955 10 10 DDCE Cc1ccc(CNC2CS(=O)(=O)C2)c(O)c1Br 2307564835 DZPAFVLGZRQFTA-UHFFFAOYSA-N 320.208 1.350 10 10 DDCE CO[C@H](CN)C(=O)NCc1ccc(C)c(Br)c1O 2327586899 SDMJFGPAIOJMFU-SECBINFHSA-N 317.183 1.053 10 10 DDCE Cc1ccc(CN(CCN)C[C@@H](C)O)c(O)c1Br 2327796092 BJPRBWNPSZLPGN-SNVBAGLBSA-N 317.227 1.605 10 10 DDCE COc1ccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)c(O)c1 119862665 PMXQEJTUOSCUDG-MRXNPFEDSA-N 312.369 1.813 10 10 DDCE Cc1ccc(C(=O)NCc2cccnc2N(C)C)c(O)c1O 181973102 DIMVZDGNRGNVDJ-UHFFFAOYSA-N 301.346 1.797 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCC[C@@](O)(CO)C2)c1O 313693624 JSUOXQISXBRRGU-HNNXBMFYSA-N 313.781 1.567 10 10 DDCE CN(Nc1nc([C@@H]2C[C@@H]2C(=O)O)cs1)S(=O)(=O)C1CC1 2365270441 FRLQQYQKCHOROZ-SFYZADRCSA-N 317.392 1.082 10 10 DDCE Cc1cccc(CNCCCCCCS(N)(=O)=O)c1O 2364249528 HDXLBXDGDDRIBC-UHFFFAOYSA-N 300.424 1.639 10 10 DDCE CCCc1nc(NN(C)S(C)(=O)=O)sc1C(=O)OCC 2365338525 DXTIWLVYKGSPRG-UHFFFAOYSA-N 321.424 1.491 10 10 DDCE COc1cc(Cl)c(N2C[C@@H](O)C[C@]2(C)CO)c(OC)c1 2368268950 DVWQKTZEPDXQPI-LKFCYVNXSA-N 301.770 1.679 10 10 DDCE Cc1cc(Cl)cc(CN2CCC3(CC2)NC(=O)NC3=O)c1O 272760498 LIXSQFFQVSPGHM-UHFFFAOYSA-N 323.780 1.528 10 10 DDCE O=C(NCc1cc(Br)ccc1O)N[C@H]1CCOC1 805227207 ZBSSPTLIRFSQGY-JTQLQIEISA-N 315.167 1.743 10 10 DDCE CCc1nc(C(=O)OCC(=O)C(C)=O)nn1-c1ccccc1 808519121 NXASRFROSNPBEG-UHFFFAOYSA-N 301.302 1.145 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@H](O)C1(C)C 812865969 UUNCJTCPPRHBIR-MRXNPFEDSA-N 319.449 1.556 10 10 DDCE C[C@H](NC(=O)N1CCC[C@@](O)(CO)C1)c1ccc(N(C)C)cc1 838559697 OSIHNNRKBNPRKT-GUYCJALGSA-N 321.421 1.342 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCCN(C)C1 734662207 WMEKMHXSXRKYKH-HNNXBMFYSA-N 304.438 1.954 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)NC1COCCOC1 845213114 NNEKNCKBHXHNNL-UHFFFAOYSA-N 300.742 1.260 10 10 DDCE NCCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 841932194 LTYOYCOXGYPBPP-CQSZACIVSA-N 307.394 1.432 10 10 DDCE CCOc1cccc(CN[C@@H](C(=O)OC)c2ccnn2C)c1O 843430440 UZOYCXDITGYMFN-CQSZACIVSA-N 319.361 1.528 10 10 DDCE Cc1ccc(C(=O)N2C[C@@H](O)CC3(CCOCC3)C2)c(O)c1O 922898127 FORZGDRARJWRAI-LBPRGKRZSA-N 321.373 1.410 10 10 DDCE CCN(C)c1ccc([C@@H](C)NC[C@H](O)CS(C)(=O)=O)cc1 927032142 PUZBZBDXORNXTD-DOMZBBRYSA-N 314.451 1.199 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)C(C)C)C2)cc1 854299894 LTKPBNUDJNCWHU-XJKSGUPXSA-N 321.421 1.590 10 10 DDCE COc1ccc(N(C)CCN(C)C[C@@H]2C[C@H]3COC[C@@H]3O2)cc1 930853629 WBSORLTXSOXQIH-WBAXXEDZSA-N 320.433 1.867 10 10 DDCE CS(=O)(=O)C1CCN(Cc2cc3c(cc2O)CCC3)CC1 760396549 NOMIYCJNQNAZHO-UHFFFAOYSA-N 309.431 1.890 10 10 DDCE CCN(CC)C(=O)COc1ccc(N(C)C)c(C(=O)OC)c1 865396375 QJRDFTQCKBUHAC-UHFFFAOYSA-N 308.378 1.786 10 10 DDCE COC(=O)[C@](C)(O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 788018917 GSOKGQOKQLWYSD-WMLDXEAASA-N 323.389 1.297 10 10 DDCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1CC 1153663183 IPNKIQMGBIEAET-UPJWGTAASA-N 321.373 1.734 10 10 DDCE C[C@H](N[C@@H](C)c1ccccc1O)c1nc(N)nc(N(C)C)n1 1175418154 GIHQVTILGQGIGZ-UWVGGRQHSA-N 302.382 1.637 10 10 DDCE Cc1csc2nc(CC(=O)NCc3c(O)cccc3O)cn12 1178917062 ILBXADBXCFYZKS-UHFFFAOYSA-N 317.370 1.974 10 10 DDCE COCC1CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 1346504705 FDDKVWJGWIUDBF-CQSZACIVSA-N 319.405 1.562 10 10 DDCE C[C@@H](N)c1ccc(N2CC(C)(C(N)=O)C2)c(Br)c1 1914211811 ICYGAMVKKOTRFK-MRVPVSSYSA-N 312.211 1.780 10 10 DDCE Cc1ccccc1[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1546096513 MLYBLGUCNJNUMA-CQSZACIVSA-N 301.342 1.799 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccn2nnnc12 1627028391 GQGYNSBERXMXHN-UHFFFAOYSA-N 318.333 1.246 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1COc2ccccc2C1=O 1630669272 YKZQDZWYSDAAJU-GFCCVEGCSA-N 313.309 1.400 10 10 DDCE Nc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1[N+](=O)[O-] 1637199892 GLAGZEWWAMZHHO-UHFFFAOYSA-N 303.274 1.769 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCc3nc[nH]c3C2)cc1 1570028950 LDXREDSOUQNAIW-NSHDSACASA-N 312.333 1.859 10 10 DDCE COc1ccccc1NCC(=O)NCc1c(O)cccc1O 1597574858 UTEJGJPYFHZJQO-UHFFFAOYSA-N 302.330 1.835 10 10 DDCE O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CCO 16904878 AWJGAQAMABQWOR-WDZFZDKYSA-N 309.368 1.609 10 10 DDCE COc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1[N+](=O)[O-] 1865876414 JSNRAXLQUPVFRM-UHFFFAOYSA-N 320.257 1.973 10 10 DDCE CN(C)c1ccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)cc1 1857879230 ZRWXFKZITCNYLI-UHFFFAOYSA-N 323.360 1.563 10 10 DDCE CN[C@@H](CC(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 884176248 AOIKRQYQOSMYJU-KRWDZBQOSA-N 319.449 1.978 10 10 DDCE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN=[N+]=[N-] 1885563632 XHHFOVPMQMGKMS-RKDXNWHRSA-N 301.347 1.077 10 10 DDCE CS(=O)(=O)N[C@@H]1CCCN(Cc2c(O)cccc2F)C1 1964600209 HAYJRBJFWUZTIH-SNVBAGLBSA-N 302.371 1.045 10 10 DDCE CON1CC[C@H](NCc2cc(Br)ccc2O)C1 2005022314 NJFCIYXWQMFDPY-NSHDSACASA-N 301.184 1.880 10 10 DDCE CC(=O)C(=O)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@H]2CCCC[C@H]21 1975310183 AIUOTJDOIGTVBJ-WQGACYEGSA-N 311.378 1.685 10 10 DDCE CN(c1ccc(CNC2CC2)c(Cl)c1)C1CS(=O)(=O)C1 2152239298 KPVZOMVSZGJDDV-UHFFFAOYSA-N 314.838 1.825 10 10 DDCE CCOC(=O)[C@@](C)(CCS(C)(=O)=O)NCCCN=[N+]=[N-] 2160827454 KEPRMSJKRRHTSD-LLVKDONJSA-N 306.388 1.033 10 10 DDCE NCc1cc(F)c(N2CCNC(=O)C(F)(F)C2)cc1Cl 2177382086 VUTVHVQFVYLJEE-UHFFFAOYSA-N 307.703 1.509 10 10 DDCE C[C@H](CNCc1cc(Br)ccc1O)c1nn[nH]n1 392569390 AXPGUEFFGCUFIV-SSDOTTSWSA-N 312.171 1.561 10 10 DDCE Cc1cn2c(n1)CC[C@H](C(=O)NCc1ccc(O)cc1O)C2 2062977459 SYBWDGOZOJGQSS-LBPRGKRZSA-N 301.346 1.482 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC(C)(C)CC[C@H]3CO)c2n1 2064290579 SIZXOKPBGVARGP-NSHDSACASA-N 318.377 1.366 10 10 DDCE CCCS(=O)(=O)C[C@H](C)NC(=O)c1ccc(O)c(O)c1 2170591222 YNQUVHGSFLRBME-VIFPVBQESA-N 301.364 1.041 10 10 DDCE CN(c1ccc(CN)cc1Br)[C@H]1CCCNC1=O 2051439675 KKSGHPXICIIPMV-LBPRGKRZSA-N 312.211 1.623 10 10 DDCE C[C@@H](NCc1cc(Br)ccc1O)c1nc(=O)o[nH]1 2057687282 RGVILBBJIFIZON-ZCFIWIBFSA-N 314.139 1.682 10 10 DDCE Oc1cccc(Br)c1CN1CCN[C@@H]2COC[C@@H]21 2068834376 XHHSKQPWUBQSFJ-NEPJUHHUSA-N 313.195 1.327 10 10 DDCE OC[C@H]1COCC[C@H]1NCc1cccc(Br)c1O 2072979214 YPXMQKUGWWKJJO-CMPLNLGQSA-N 316.195 1.642 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@@H]2CCCNC2)s1 2269083748 ASYWTYPKFWWBHW-SECBINFHSA-N 321.493 1.284 10 10 DDCE C[C@H](N)Cc1cnc(Sc2nnnn2CC(F)F)s1 2225654467 STBSQUNJJWFOAH-YFKPBYRVSA-N 306.367 1.436 10 10 DDCE CC(C)CN1C(=O)C(=CNCc2ccccc2)C(=O)NC1=S 2295113161 BTKPSWOWGCBIGM-UHFFFAOYSA-N 317.414 1.559 10 10 DDCE COC[C@H]1CNCCN1c1cc(Cl)c(OC)cc1OC 2285937915 WRVUNKUKOUTTKT-SNVBAGLBSA-N 300.786 1.782 10 10 DDCE Cc1ccc(CNC[C@@](C)(O)CCO)c(O)c1Br 2327611397 CFMIKQLICSXZAQ-ZDUSSCGKSA-N 318.211 1.686 10 10 DDCE CN1CCN(c2ccc(CNC[C@H](O)C(F)(F)F)cc2)CC1 4362607 FGIKFKXDCHWNSM-AWEZNQCLSA-N 317.355 1.451 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCN(C3CCOCC3)CC2)c1 177755355 NORPPRPBNAMADN-UHFFFAOYSA-N 321.377 1.597 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC[C@H](N3CCCC3)C2)cc1 62975715 ACQBFCYPEUJZMF-HNNXBMFYSA-N 309.435 1.269 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1O 173394985 DFJXYEJDHWRGAL-JTQLQIEISA-N 316.379 1.555 10 10 DDCE C[C@H]1COC[C@H](C)N1CC(=O)N(C)Cc1ccc(N(C)C)cc1 172552919 GEPWNEZGVAHHLI-GJZGRUSLSA-N 319.449 1.820 10 10 DDCE Oc1cc2c(cc1CN1CCN(Cc3ccon3)CC1)OCO2 172967333 CNTIXTIEVAHPCC-UHFFFAOYSA-N 317.345 1.427 10 10 DDCE Cn1nc(C(F)F)c([C@@H](NCCN=[N+]=[N-])C(N)=O)c1Cl 2365260160 SQRIJLSWFOTKDU-ZCFIWIBFSA-N 307.692 1.437 10 10 DDCE Cc1ccc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)cn1 46771510 SKHFVZFFCBEZAT-UHFFFAOYSA-N 324.384 1.256 10 10 DDCE COc1ccc(N(C)C[C@@H](C)CS(C)(=O)=O)c(OC)c1 131806109 HIQDNCJMDRCXKN-LLVKDONJSA-N 301.408 1.821 10 10 DDCE OCCOc1cncc(NCCCSc2nccs2)n1 132720759 DGPIALMPSXXITH-UHFFFAOYSA-N 312.420 1.899 10 10 DDCE COc1cc(Cl)c(N2CC[C@H](O)[C@H](O)CC2)c(OC)c1 2368098207 JVJXQZDZVJWKRM-TXEJJXNPSA-N 301.770 1.679 10 10 DDCE C[C@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)[C@@H](C)CO1 226998652 FITYMPRISBDBFQ-RYUDHWBXSA-N 314.407 1.087 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@H]3CSC(=O)N3)ccc21 81305657 SENOYGAMKDZTRN-GFCCVEGCSA-N 305.403 1.510 10 10 DDCE COc1ccc(N2CCN(Cc3nc(N(C)C)no3)CC2)cc1 192690951 YRKVJVHUEAJQRL-UHFFFAOYSA-N 317.393 1.466 10 10 DDCE Cc1cc(I)c(O)c([C@H]2CNCCN2)c1 238546018 TUQMWDWCPMEZPT-SNVBAGLBSA-N 318.158 1.539 10 10 DDCE CC(=O)C(=O)COC(=O)CCCN(C)C(=O)OC(C)(C)C 808508627 JSTVIORCWLPKAT-UHFFFAOYSA-N 301.339 1.335 10 10 DDCE C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC(=O)N1C 800537881 HNTOBPBMPYLKGF-AWEZNQCLSA-N 303.406 1.186 10 10 DDCE COc1cc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N)cc(O)c1O 390759908 YWXCVERAXJZGKV-WDEREUQCSA-N 324.377 1.768 10 10 DDCE CNC(=O)[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 817369989 JDVPTQYWTGLGBE-NSHDSACASA-N 306.406 1.963 10 10 DDCE CC(C)[C@H](NCC(F)(F)F)C(=O)NCc1ccc(O)c(O)c1 830559699 SSNMDGZERPZXHE-LBPRGKRZSA-N 320.311 1.891 10 10 DDCE CC[C@H]1[C@@H](CO)CCN1CC(=O)NCc1ccc(N(C)C)cc1 839610572 OGCUYROHWGGXMK-WBVHZDCISA-N 319.449 1.462 10 10 DDCE CC[C@H](NCCC(=O)NCCC(=O)OC)c1ccccc1O 839540850 NPEWJEVVXHERDL-ZDUSSCGKSA-N 308.378 1.502 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@H]1CNCC(=O)N1 1952931222 PGPZVMDZILOFCW-SNVBAGLBSA-N 307.350 1.500 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3COC(=O)C3)C2)cc1 855233620 JJSGPBGBLUUCDQ-CHWSQXEVSA-N 318.373 1.343 10 10 DDCE CN(C)c1ccc([C@@H](N)CNC(=O)C=C2CCNCC2)cc1 852791196 DQCYMOBHTGHFKA-INIZCTEOSA-N 302.422 1.178 10 10 DDCE CCc1cc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n[nH]1 855230927 GOQFAEDWFYJNKG-CYBMUJFWSA-N 314.389 1.989 10 10 DDCE CN(c1ccc(CO)c(Cl)c1)C1CCS(=O)(=O)CC1 694179208 VOOZCFDERHRVJW-UHFFFAOYSA-N 303.811 1.846 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)NC1(CN)CCOCC1 861582311 DENVGMURJMNBTG-UHFFFAOYSA-N 320.437 1.368 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(F)c1 870045882 PZQHKXAKXPKOFH-SWLSCSKDSA-N 321.304 1.046 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCn3c(O)nnc3C2)c1O 771813511 TZCUKBJJOLVUGQ-UHFFFAOYSA-N 322.752 1.561 10 10 DDCE CN(CCC(=O)O)S(=O)(=O)Nc1ccc(O)cc1Cl 693916838 ZFWSSFCUIWCVKZ-UHFFFAOYSA-N 308.743 1.109 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC(N3CCOCC3)C2)cc1 1300166091 JOWRDCSPZFKSFR-UHFFFAOYSA-N 317.349 1.006 10 10 DDCE CN(Cc1ccsc1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1335542169 ISQXNPUEXPZCSU-UHFFFAOYSA-N 316.382 1.955 10 10 DDCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCc2cc(Br)ccc21 2134424189 BISMZXSPFZXSNA-LBPRGKRZSA-N 324.182 1.976 10 10 DDCE Cn1cc([C@H](O)CNC(=O)c2ccc(N=NC(N)=O)cc2)cn1 1545529088 DBOBSOWWCLJOBT-GFCCVEGCSA-N 316.321 1.046 10 10 DDCE CN(CCc1ccccc1)CC(=O)NCc1cc(O)ccc1O 1558175173 GQJWCFXBTQIODO-UHFFFAOYSA-N 314.385 1.889 10 10 DDCE O=C(CCCc1nn[nH]n1)NCc1ccc2cccnc2c1O 1639624992 SPFMUVWIIGPZLC-UHFFFAOYSA-N 312.333 1.093 10 10 DDCE COC(=O)c1ccc(CC(=O)NCc2c(O)cccc2O)cc1 1635847382 NGAKNHWQOJAIRX-UHFFFAOYSA-N 315.325 1.743 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1nc(-c2cnccn2)no1 1566303763 CCQYRXIEIGUZCY-UHFFFAOYSA-N 311.301 1.504 10 10 DDCE O=Cc1ccccc1OCC(=O)NCc1ccc(O)cc1O 1570462222 JWIWOSNUZOJDLQ-UHFFFAOYSA-N 301.298 1.606 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCN(CC(F)F)C1 1643012546 YCICXHAVGQIFTF-SNVBAGLBSA-N 300.305 1.096 10 10 DDCE C[C@H](NC[C@H](O)C(C)(C)O)c1ccc(N2CCOCC2)cc1 1653994460 SSLUSWOQBSVYBY-BBRMVZONSA-N 308.422 1.306 10 10 DDCE COCC(=O)N[C@@H]1CCCN(CCCOc2ccc(N)cc2)C1 586063425 LJRVLRLEXPUTCT-OAHLLOKOSA-N 321.421 1.265 10 10 DDCE CS(=O)(=O)N1CCCN(Cc2ccc(Cl)cc2O)CC1 1205178335 VGAKEPAQHMWGLF-UHFFFAOYSA-N 318.826 1.513 10 10 DDCE CN(C(=O)c1cc(O)nc(O)c1)C1CCC2(CC1)OCCO2 701230025 OJZNYOGZJGLUBS-UHFFFAOYSA-N 308.334 1.251 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cnn(CCO)c1 2157781189 UGYBLGUXCPOTNU-UHFFFAOYSA-N 317.754 1.035 10 10 DDCE NCc1ccc(N2CCOC[C@H](O)C2)cc1Br 399912033 FXMFBPNSFOXGKJ-LLVKDONJSA-N 301.184 1.105 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC(C(F)(F)F)C3)c2n1 2063533472 QVSKAJSUDQMKNQ-UHFFFAOYSA-N 300.240 1.378 10 10 DDCE CN(c1ccc(CO)cc1Br)[C@H]1CCCNC1=O 2051436199 UUXWNYUEVLZPGS-LBPRGKRZSA-N 313.195 1.656 10 10 DDCE Cn1ncc(CNCc2cccc(O)c2O)c1Br 2052976962 PABGLQCGJOTEAE-UHFFFAOYSA-N 312.167 1.884 10 10 DDCE CN1CCc2cc([C@@H](O)c3nn(C)nc3Br)ccc21 2111439695 AMOWNGNXNKTDBY-GFCCVEGCSA-N 323.194 1.652 10 10 DDCE CC(C)(C)OC(=O)N1[C@H](COc2nnc(=N)[nH]n2)CCC1(C)C 2210646010 XVTRFODRBMPDHN-VIFPVBQESA-N 324.385 1.236 10 10 DDCE Cn1nc(Br)c(C(=O)NCc2ccc(N)cc2)n1 2219812071 WCNNILLWKLAFOO-UHFFFAOYSA-N 310.155 1.090 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H](C(=O)O)C(C)C)s1 2269118550 JWMZTWSLGQDYPA-MRVPVSSYSA-N 303.409 1.773 10 10 DDCE CN(C)c1ccc(CNC(=O)NCc2ncnn2C)cc1F 76793520 VGLHRLBUAZRKMT-UHFFFAOYSA-N 306.345 1.020 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N(CCF)CCF)cc1 2365416437 UCXUKBWMSIGKAA-UHFFFAOYSA-N 308.350 1.218 10 10 DDCE CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C(=O)NC3)CC1 89211278 SLEOQOMILGKTQY-UHFFFAOYSA-N 317.389 1.987 10 10 DDCE COc1ccc(N2CCN(C(=O)C[C@H]3CCCN3C)CC2)cc1 82320326 NMRUCNWMSXXKAG-MRXNPFEDSA-N 317.433 1.828 10 10 DDCE COc1cc(Cl)c(N2C[C@H](O)[C@H](O)[C@H]2CF)c(OC)c1 2368287132 DQGUBULDXHQNIM-GBIKHYSHSA-N 305.733 1.237 10 10 DDCE CN[C@@H](CO)c1cc(I)cc(OC)c1O 238363273 BBXUSXBODKDOAM-QMMMGPOBSA-N 323.130 1.258 10 10 DDCE COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)OCC(=O)C(C)=O)c1 808539998 NMEKMHGZMCUEMJ-WCQYABFASA-N 306.314 1.509 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2COCC[C@@H]2OC)c1O 724916102 OZEUZRRFGLZARS-RYUDHWBXSA-N 301.770 1.948 10 10 DDCE CN1C[C@@H]2CCN(Cc3ccc(N4CCOCC4)c(F)c3)[C@@H]2C1 814173993 VJKNXQSTZYSTHN-MAUKXSAKSA-N 319.424 1.798 10 10 DDCE CCc1nc(CNCc2ccc(N3CCOCC3)c(F)c2)n[nH]1 824446543 YUGCLDMRLVDKBV-UHFFFAOYSA-N 319.384 1.633 10 10 DDCE COc1cc(O)c(CNCCO[C@@H]2CC2(F)F)cc1OC 827072704 LGWUKBCSOVEEHP-CYBMUJFWSA-N 303.305 1.923 10 10 DDCE NC(=O)[C@H]1Cc2ccccc2N(Cc2cccc3c2CCNC3)C1 662256140 GXSNSPCHMLLIPP-KRWDZBQOSA-N 321.424 1.997 10 10 DDCE Nc1ccc(OCCON2C(=O)COc3ccc(O)cc32)cc1 821300857 ZPFPDOZAIKKISH-UHFFFAOYSA-N 316.313 1.710 10 10 DDCE OCCO[C@@]1(CNCc2cc(Cl)cc(F)c2O)CCOC1 826940282 BPTMFBRRPMGCSX-CQSZACIVSA-N 319.760 1.442 10 10 DDCE Cc1cc(O)c(CNCCCn2cc(CO)nn2)c(Cl)c1 840945931 AVOKWBCEOBQSTI-UHFFFAOYSA-N 310.785 1.618 10 10 DDCE C[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1[C@H]2CN[C@H]1C2 925500346 DLLXHGMHWUXYBZ-WCZJQEMASA-N 301.434 1.609 10 10 DDCE CN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2nnn(C)c2C1 927849726 CJJXSANKASMBAR-GFCCVEGCSA-N 315.377 1.220 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)N2CCC[C@@H](CCF)C2)cc1 851687400 ACWNSDCOVVXNQM-AWEZNQCLSA-N 321.396 1.526 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@@H]1OCCO[C@@H]1C(F)(F)F 928710160 OZLMZMXYWIFWLI-MNOVXSKESA-N 323.242 1.494 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3ncccc3O)C2)cc1 855224605 GIZNKABWICVBDN-GFCCVEGCSA-N 313.357 1.805 10 10 DDCE COC(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 1136139841 XFAFFHVCVQAKGN-UHFFFAOYSA-N 315.325 1.743 10 10 DDCE Nc1ccc(CNC(=O)c2ncncc2Br)cc1 385824071 PIWZLSYTIOBTTP-UHFFFAOYSA-N 307.151 1.751 10 10 DDCE CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCCCN=[N+]=[N-] 701270396 IZTFCXWOYLTZHK-JTQLQIEISA-N 303.388 1.007 10 10 DDCE CN(C)[C@H]1[C@@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@@H]21 897908352 IGRCCINUSRRCGC-RTUWITSCSA-N 318.398 1.945 10 10 DDCE CCOC(=O)[C@@H](CCOC)NC(=O)/C=C/c1ccc(O)c(O)c1 799071378 JDYJBJBIFZAXOZ-HOSRBBHYSA-N 323.345 1.195 10 10 DDCE CCCS(=O)(=O)NCc1cc(Br)ccc1O 796191141 OQFDRAQIAKXIBO-UHFFFAOYSA-N 308.197 1.984 10 10 DDCE C[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1O 1197004175 OVBNFAVZFZAJTH-JQWIXIFHSA-N 306.322 1.209 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2ncn(C)n2)cc1C 1275142301 SCOGGUNLLCDADA-LBPRGKRZSA-N 317.393 1.040 10 10 DDCE CS(=O)(=O)N1CC[C@H](CN2CCC[C@H](CN=[N+]=[N-])C2)C1 1912205002 ZVFCBOYRPQJIQH-VXGBXAGGSA-N 301.416 1.290 10 10 DDCE Nc1ccc(C(=O)NCc2c(O)cccc2F)cc1[N+](=O)[O-] 1471975414 ZBBRYOZPHRXRQG-UHFFFAOYSA-N 305.265 1.952 10 10 DDCE COC(=O)c1ccc2c(c1)N(C(=O)/C=C/c1cnn(C)c1)CC2 1627693149 JCZKUWJLELIGNL-ZZXKWVIFSA-N 311.341 1.809 10 10 DDCE COC(=O)c1ccccc1CC(=O)NCc1c(O)cccc1O 1639292614 KBPMQYFFNGBXEM-UHFFFAOYSA-N 315.325 1.743 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1cc(O)ccc1O 1643881872 IRZLGJGRXLWASD-QHHAFSJGSA-N 301.298 1.839 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1COc2ccccc2[C@H]1O 1641876156 WACRGFYAWREJSM-YVEFUNNKSA-N 315.325 1.251 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2cc(C)[nH]n2)cc1C 1662174619 HVSGVPANHHCJBG-ZDUSSCGKSA-N 316.405 1.943 10 10 DDCE Cc1noc([C@@H]2COCCN2Cc2cc([N+](=O)[O-])ccc2O)n1 161055641 KCRJQFWQDDFXEP-LBPRGKRZSA-N 320.305 1.565 10 10 DDCE Cn1ncc2cc(CNC(=O)c3cc(O)c(O)c(O)c3)ccc21 1865876153 UXNHRFCVHNXKRW-UHFFFAOYSA-N 313.313 1.620 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@@H](N)c2ccccc2O)C1 1980561932 POWHCEBTAQAVGP-TZMCWYRMSA-N 321.421 1.991 10 10 DDCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)C1(CN)COC1 1990488678 ARIITORARRNGCS-UHFFFAOYSA-N 321.421 1.875 10 10 DDCE CN(CC(CO)CO)c1ccc(CN)c(Br)c1F 2033014365 OUJXDSCQYUTOKO-UHFFFAOYSA-N 321.190 1.084 10 10 DDCE NCc1ccc(N2CCC[C@@H]3C(=O)NC[C@H]32)c(Br)c1 300421576 OITGZCBOFNXECV-GXFFZTMASA-N 324.222 1.623 10 10 DDCE C[C@H](NCc1cc2c(cc1O)OCO2)[C@@H](C)S(C)(=O)=O 2170597461 OYRXCLIZVCGQLG-DTWKUNHWSA-N 301.364 1.032 10 10 DDCE [N-]=[N+]=N[C@H]1CCCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 701317721 WIDMNRVXNPPRCB-UWVGGRQHSA-N 318.424 1.208 10 10 DDCE CNCc1ccc(N2CCS(=O)(=O)[C@@H](C)C2)c(Cl)c1 707143975 ZOHYNKFEZWAERA-JTQLQIEISA-N 302.827 1.683 10 10 DDCE Oc1ccc(Br)cc1CN1C2COCC1COC2 399832335 CUORWRGFKZUMGC-UHFFFAOYSA-N 314.179 1.754 10 10 DDCE COc1cccc(O)c1[C@@H](C)NC[C@@H]1COC2(CCOCC2)O1 2062266569 BXCUJTXOYVVDDR-CHWSQXEVSA-N 323.389 1.974 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](CN2CCC[C@H]2CN=[N+]=[N-])C1 2179618968 NMUXEJQXUUPYMD-RYUDHWBXSA-N 301.416 1.433 10 10 DDCE CN[C@@H](C)c1ccc(N2CC(O)(CO)C2)c(Br)c1 2051903124 RQTXEJLBCGJVJX-VIFPVBQESA-N 315.211 1.273 10 10 DDCE C[C@@H]1[C@H](O)CN1c1cc2c(cc1Br)[C@@H](O)C(=O)N2 2062248856 ZBSUSZXAIMQZJP-ZFFXRTFHSA-N 313.151 1.004 10 10 DDCE Cn1nc(Br)c([C@@H](O)CCc2ccc(N)cc2)n1 2220246450 PWPRGHNBYCSPLZ-JTQLQIEISA-N 311.183 1.826 10 10 DDCE CCNCc1cnc(Sc2nnnn2CC(F)(F)F)s1 2234015007 PPNHOHOVHYYQQW-UHFFFAOYSA-N 324.357 1.953 10 10 DDCE CSc1ncc(CN[C@H](C)C(=O)N2CCOCC2)s1 2269093869 PQPCJRWOCQEVGD-SECBINFHSA-N 301.437 1.202 10 10 DDCE CSc1ncc(CNC(=O)[C@@H](CN)[C@H]2CCOC2)s1 2269188570 QMCVVHYSRHCFNL-WPRPVWTQSA-N 301.437 1.093 10 10 DDCE C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1Cc1cc(F)ccc1O 2279352783 LYMFAVOBHAYFKL-ZWNOBZJWSA-N 301.383 1.929 10 10 DDCE O=C(O)CN1C(=O)C(=C2C(=O)Nc3ccccc32)SC1=S 2293031321 NODQFFGVNPUSQK-UHFFFAOYSA-N 320.351 1.295 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)N2CCOc3ccccc32)c1 491686206 PPPHHZMDLIFNTH-SREVYHEPSA-N 323.352 1.880 10 10 DDCE COc1cccc(CNC(=O)C=Cc2ccc(O)c(O)c2)n1 2307996443 CDBTWDYTMQIVII-UHFFFAOYSA-N 300.314 1.831 10 10 DDCE Cc1ccc(CNC[C@H](O)[C@@H](C)O)c(O)c1Br 2307483233 XZYKIESEYIMQGN-SCZZXKLOSA-N 304.184 1.294 10 10 DDCE Cc1ccc(CN[C@H](C)COCCN)c(O)c1Br 2327627236 AOVXJAHFUIJMEM-SNVBAGLBSA-N 317.227 1.917 10 10 DDCE Cc1ccc(CNCC(=O)NC2CC2)c(O)c1Br 2327612580 NGXSEJYJMJHATQ-UHFFFAOYSA-N 313.195 1.831 10 10 DDCE CCN1CCN([C@H](C(=O)O)c2ccc(N(C)C)cc2)C[C@@H]1C 107901198 JELCTLVFCNQUQH-BBRMVZONSA-N 305.422 1.904 10 10 DDCE COc1ccc(CNC(C)(C)CCS(C)(=O)=O)c(O)c1 174641020 RCTAEZVTMZXGEI-UHFFFAOYSA-N 301.408 1.704 10 10 DDCE CC1CCN(c2ccc(CNC(=O)Cn3ccnn3)cc2)CC1 176320239 JSJHVXNPEDVRMP-UHFFFAOYSA-N 313.405 1.831 10 10 DDCE Nc1ccc(N[C@H]2CCN(S(=O)(=O)C(F)(F)F)C2)cc1 2360224655 HUZFAXAIMXOQSR-JTQLQIEISA-N 309.313 1.605 10 10 DDCE CC(C)(O)[C@@H](N)c1cc(I)ccc1O 1951471964 BKYAOYLGWJHTAV-VIFPVBQESA-N 307.131 1.768 10 10 DDCE COc1cc(Cl)c(N2CCC[C@](N)(CO)C2)c(OC)c1 2368285736 PORJYMRLYWOTFG-CQSZACIVSA-N 300.786 1.647 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CCC(c2ncc[nH]2)CC1 276578822 LFWACGRMUJXMPK-UHFFFAOYSA-N 305.309 1.980 10 10 DDCE C[C@@H](NCCCN1CCOC1=O)c1cc([N+](=O)[O-])ccc1O 273623072 ZRKAGIDBCXVURS-SNVBAGLBSA-N 309.322 1.793 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)CN1CCOCC1=O 282434390 HRGHXNLESQBKHU-UHFFFAOYSA-N 320.389 1.380 10 10 DDCE COC(=O)c1cncnc1N[C@@H](C)Cc1ccc(O)c(O)c1 804605394 QYEOTUSCONUAPB-VIFPVBQESA-N 303.318 1.718 10 10 DDCE Nc1c(NCCc2ccc(O)c(O)c2)ncnc1-n1cccn1 811810773 BIHFTWRDJVPZDC-UHFFFAOYSA-N 312.333 1.310 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1cscc1Br 814565671 HZQRXJMQZNSJHW-UHFFFAOYSA-N 305.149 1.754 10 10 DDCE CCOC(=O)[C@@H](F)[C@H](N)c1c(Br)ccc(N)c1O 725274806 HKRMCCNVLZKWLR-DTWKUNHWSA-N 321.146 1.638 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@@H]3CCC[C@H](C2)N3)cc1F 841759963 IZLPXAKZSHVMAS-OKILXGFUSA-N 320.412 1.928 10 10 DDCE COC[C@@H](CCNC(=O)NCc1c(O)cccc1F)OC 923187615 YFYUVYRVRXOXMD-SNVBAGLBSA-N 300.330 1.382 10 10 DDCE O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1=CCC1 857642713 UBKFWAVYKSYRQF-UHFFFAOYSA-N 320.414 1.258 10 10 DDCE COc1cc(O)c(CN2CCc3nccnc3C2)cc1OC 853607237 WGLRNFAWRKNHED-UHFFFAOYSA-N 301.346 1.758 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3n[nH]cc3C)C2)cc1 855222906 CSWQVQMABJAYCX-GFCCVEGCSA-N 300.362 1.735 10 10 DDCE COc1cccc(CNS(=O)(=O)[C@H]2COC(C)(C)C2)c1O 859006694 SKBRAYPEKXPHNH-LLVKDONJSA-N 315.391 1.388 10 10 DDCE CN1CCN(c2ccc(CN[C@@H](CO)C3CCC3)cc2)CC1 850350403 RGCCIFDKRIAWKS-SFHVURJKSA-N 303.450 1.689 10 10 DDCE CCOc1cccc(CN2CC[C@](OC)(C(=O)OC)C2)c1O 862473619 BVLJQBRCWPSODF-MRXNPFEDSA-N 309.362 1.555 10 10 DDCE CNCCOCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 861620944 QXFOJQAMTWQIHJ-ZDUSSCGKSA-N 308.426 1.349 10 10 DDCE CC(C)(NC(=O)C(F)(F)F)C(=O)N1Cc2cccc(O)c2C1 871204862 QTTSISNANDPORV-UHFFFAOYSA-N 316.279 1.692 10 10 DDCE CN(C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1ccc(N)cc1 877079985 DARHOGTWMPLSCT-DOMZBBRYSA-N 305.403 1.686 10 10 DDCE C[C@@H](NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(N(C)C)cc1 775403261 IKAYFTBPAXPTSC-SNVBAGLBSA-N 317.349 1.885 10 10 DDCE CS(=O)(=O)c1cccnc1CNC(=S)Nc1ccccc1 782428201 RTXADUKKJYFHKQ-UHFFFAOYSA-N 321.427 1.972 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](C2CCOCC2)C1 1137605747 CPZVNOHTPQWSPV-CQSZACIVSA-N 305.374 1.915 10 10 DDCE Oc1cccc(Br)c1CN[C@@H]1COCC[C@@H]1O 710910491 LJEJIWNZRKQNBM-PWSUYJOCSA-N 302.168 1.394 10 10 DDCE NC[C@H]1CN(Cc2cc(Br)cc(F)c2O)CCO1 715765597 IETXLTLPBUGDCI-JTQLQIEISA-N 319.174 1.453 10 10 DDCE O=C(c1cc(O)cs1)N(CCC(F)(F)F)C[C@H](O)CO 1151299935 JGKSGMCUFDBGIN-QMMMGPOBSA-N 313.297 1.202 10 10 DDCE CCS(=O)(=O)[C@@H]1CCN(c2ccc(CN)cc2Cl)C1 2123318727 BRMKUDSWKMLTIE-LLVKDONJSA-N 302.827 1.812 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)Cc1ccc(F)cc1 1471901345 XUTYPTMYLKYCPC-AWEZNQCLSA-N 319.332 1.499 10 10 DDCE CCC(CC)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1nn[nH]n1 1626908462 FPSHXVXINIEJLG-VURMDHGXSA-N 317.349 1.456 10 10 DDCE Cc1ccnc2nc(C(=O)NCc3c(O)cccc3F)nn12 1558455752 XTGIIFSUGUZTQA-UHFFFAOYSA-N 301.281 1.207 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(OCCO)cc1 1622635064 PSIUCQLXXWRRGM-UHFFFAOYSA-N 303.314 1.650 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1ccnc2[nH]c(O)nc12 1635959474 JYRIIUVGXVGQLD-UHFFFAOYSA-N 300.274 1.005 10 10 DDCE CCS(=O)(=O)N(C)CCNCc1ccc(Cl)cc1O 1926359831 SSQJIEUINCHIRW-UHFFFAOYSA-N 306.815 1.417 10 10 DDCE Cn1cnc(-c2ccc(NC(=O)C3=S=C(C=O)C=C3)cc2)n1 1567449502 ACYMANBYVOPJCH-UHFFFAOYSA-N 312.354 1.267 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1c[nH]nc1-c1cccnc1 1633595378 TZQZDQSOSZVFED-UHFFFAOYSA-N 310.313 1.813 10 10 DDCE COc1cccc([C@H](O)C(=O)NCc2cc(O)ccc2O)c1 1644754447 XESVZMMZSWADEH-HNNXBMFYSA-N 303.314 1.456 10 10 DDCE CN(C)S(=O)(=O)CC(=O)NCc1c(O)ccc2ccccc12 1645440686 MPKMPWPNMBWFOF-UHFFFAOYSA-N 322.386 1.053 10 10 DDCE CO[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCOC1 1584223233 HHHOPYRPDAFXCL-DGCLKSJQSA-N 320.349 1.630 10 10 DDCE O=Cc1cccc(OCCC(=O)NCc2cccc(O)c2O)c1 1593739190 JDFTXHZNNLIWGP-UHFFFAOYSA-N 315.325 1.996 10 10 DDCE CC(=O)NCc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 1593868082 HSKLCUTUNJKEDB-UHFFFAOYSA-N 314.341 1.664 10 10 DDCE CNC(=O)c1cccc(NC=C2C(=O)OC(C)(C)OC2=O)c1 13630722 QGJYCABYTYVWBI-UHFFFAOYSA-N 304.302 1.178 10 10 DDCE CCNC(=S)NC1CCN(CCOc2ccc(N)cc2)CC1 586051664 CKDSMLCGIDILKJ-UHFFFAOYSA-N 322.478 1.596 10 10 DDCE Nc1ccc(-n2nnc(C(=O)Nc3c(F)cccc3F)n2)cc1 1857878432 BPJVBIXYUCWLQW-UHFFFAOYSA-N 316.271 1.775 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl 2144167959 XLLIONXGAZAFTO-GMTAPVOTSA-N 314.838 1.841 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 2151275796 QFPAAEUGUDPWIQ-PKFCDNJMSA-N 314.838 1.983 10 10 DDCE CNC(=O)c1cnn(Cc2c(O)cccc2Br)c1 2069921624 DKWVLYWXDUWKCH-UHFFFAOYSA-N 310.151 1.759 10 10 DDCE C[C@H](c1cc([N+](=O)[O-])ccc1O)n1cc(S(C)(=O)=O)cn1 2070203561 MOSODFVEBNPSAM-MRVPVSSYSA-N 311.319 1.510 10 10 DDCE CNCc1cnn(Cc2c(O)cccc2Br)c1O 2070563160 VNKLTRYCEGLFAE-UHFFFAOYSA-N 312.167 1.825 10 10 DDCE COc1ccc(Br)c(CNCc2nc[nH]n2)c1O 2220461772 AWRFPMHOZDFYRU-UHFFFAOYSA-N 313.155 1.571 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H]2[C@H](O)CO)cc1Br 2258335260 BDLRDJBDSCJYAR-ZEGGKSINSA-N 315.211 1.401 10 10 DDCE CCCCN1C(=O)NC(=O)C(=Cc2cnc(SC)nc2)C1=O 2297346579 DVFAGZCTJYWKDA-UHFFFAOYSA-N 320.374 1.460 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@@H]1CCC[C@H]1O 2302275758 KGQOMYOJFZLOAX-IAGOWNOFSA-N 316.401 1.566 10 10 DDCE Cc1ccc(CN2C[C@@](C)(O)CO2)c(O)c1Br 2307482273 NYBUSPMCJNDQQU-GFCCVEGCSA-N 302.168 1.961 10 10 DDCE O=C(O)[C@]1(Sc2nccs2)CNC[C@]2(CCCO2)C1 2351874187 HVDSSFJNFOXUTO-NWDGAFQWSA-N 300.405 1.601 10 10 DDCE COc1cc(C(=O)O)cc(-c2cc(C(=O)O)cc(O)c2O)c1O 56875189 IOAGJFSRYOGIAF-UHFFFAOYSA-N 320.253 1.875 10 10 DDCE in-vitro Cc1ccc(O)c(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1 124505654 RSEHELPADCGPON-HNNXBMFYSA-N 318.417 1.771 10 10 DDCE CC(C)(C(=O)N(Cc1ccc(N)cc1)C1CC1)S(C)(=O)=O 70127338 BTBYDQPOKDYONQ-UHFFFAOYSA-N 310.419 1.583 10 10 DDCE C/C=C/C[C@@H](C)C(=O)[C@@H](C(=O)C(=O)[C@@H](NC)C(C)C)N(C)C 77320010 SWMXIVDXWWESMC-YKRSTSSUSA-N 310.438 1.470 10 10 DDCE in-vitro Nc1ccc(CS(=O)(=O)NCCCN2CCCCC2)cc1 40325482 KJBSJTUFLZFVAA-UHFFFAOYSA-N 311.451 1.564 10 10 DDCE O=C(O)[C@H]1CNCCN1Cc1cc(Br)ccc1O 236464426 DVGVLBOARKHYHD-SNVBAGLBSA-N 315.167 1.013 10 10 DDCE CN(CC(N)=O)c1ccc(/C=C/C(=O)O)c(Br)c1 234260438 ORBRRWINZMFOEY-HWKANZROSA-N 313.151 1.468 10 10 DDCE COC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2)c1C)C(=O)O 263367672 AKYHQICZNURYOY-OAHLLOKOSA-N 316.357 1.924 10 10 DDCE CN(Cc1ccccc1O)C(=O)NCCCN1CCOC1=O 263995707 BLXPVMSECZJLIV-UHFFFAOYSA-N 307.350 1.376 10 10 DDCE COCC[C@@H](COC)NC(=O)NCc1cccc(OC)c1O 812574488 SQTBXOQRWHSKOR-LBPRGKRZSA-N 312.366 1.252 10 10 DDCE Cc1ccc(C(=O)O[C@@H]2CCN(C(C)(C)C)C2=O)c(O)c1O 820325931 JKOGCCFUVVSOHW-LLVKDONJSA-N 307.346 1.962 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@@H]3COC[C@]3(C)C2)c1O 827281212 IRSFXJNVKUDMMQ-ABAIWWIYSA-N 308.334 1.777 10 10 DDCE COc1cc(O)ccc1NS(=O)(=O)CC1(OC)CCC1 901704713 UWUIKEHOTWBBHG-UHFFFAOYSA-N 301.364 1.712 10 10 DDCE C/C=C\[C@@H](O)C(=O)NCc1cccc(Br)c1O 907758738 SZSPJKBWRLGWHN-WUWIAWFRSA-N 300.152 1.708 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)C(=O)c1ccc(F)cc1 734513857 XJYOLDGCARUELC-UHFFFAOYSA-N 303.289 1.779 10 10 DDCE COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 836842294 MBAALGBLNXYPAL-HYOAPIGFSA-N 319.357 1.959 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@H](O)Cn2ccnn2)cc1 839178795 HIAWPVGTMPLIRL-QGZUEGPWSA-N 301.394 1.008 10 10 DDCE Cc1c(-c2nnc(N(C)Cc3ccccc3O)n2C)nnn1C 834915301 YQJYJDIWEDZPJI-UHFFFAOYSA-N 313.365 1.261 10 10 DDCE O=C(O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCO[C@H]1C1CC1 911487657 FQCPNVLGJJONJD-CJNGLKHVSA-N 319.357 1.621 10 10 DDCE Cc1cc(N(C)C)ccc1CN1CCN(c2nncn2C)CC1 848926785 ZIHVDIVNWVOTEX-UHFFFAOYSA-N 314.437 1.512 10 10 DDCE COC(=O)/C=C\c1ccc(N2C[C@@H](C)C[C@@H](O)C2)c([N+](=O)[O-])c1 840375095 GVKADNJKXIRBLV-OWQIOCHFSA-N 320.345 1.988 10 10 DDCE COc1ccc(N2CC[C@H](Nc3ccc4nnnn4n3)C2)cc1 853759426 UNAQLNKHBRPALA-NSHDSACASA-N 311.349 1.219 10 10 DDCE COC[C@@H]1CCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852448932 NXKMWJNYOGLMIB-ZFWWWQNUSA-N 319.405 1.704 10 10 DDCE C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@]1(C)CO 853964087 IYJDKLXMCYPIGW-BJOHPYRUSA-N 321.333 1.380 10 10 DDCE COc1ccc(CNC(=O)NC[C@@H](OC)[C@@H]2CCOC2)c(O)c1 852438725 WIIHAJVTYUTMJO-IUODEOHRSA-N 324.377 1.252 10 10 DDCE CCN1OC[C@@H](N(C)CCN(C)c2ccc(OC)cc2)C1=O 852211015 FISCKSVOLOKQLE-OAHLLOKOSA-N 307.394 1.226 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@H]1CCc2c[nH]nc2C1 921447133 YOOIJXUESVLJST-JTQLQIEISA-N 304.325 1.611 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3CCCN3)C2)cc1 852843714 FNCATCMMHSMKLY-UONOGXRCSA-N 303.406 1.532 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(C)c(-c2cnn(C)c2)c1 869699795 IIYCLZWVGVZLLS-UHFFFAOYSA-N 300.314 1.710 10 10 DDCE CCC(=O)N[C@@H](CCSC)C(=O)N(C)c1ccc(N)cc1 877080008 DOHWVOPYGCGGMC-ZDUSSCGKSA-N 309.435 1.880 10 10 DDCE Cc1ncccc1/C=C\C(=O)N1CCCc2ccc(C(N)=O)nc21 1130848605 LIUQIFHOZKAZGB-CLFYSBASSA-N 322.368 1.877 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CCC[C@@H](F)C2)cc1 689388796 QKPDZRSZTHGLQR-LLVKDONJSA-N 302.371 1.411 10 10 DDCE CCN(CCS(C)(=O)=O)[C@H](C)c1ccc(OC)cc1O 688581252 VHZGVPMEFSURNW-LLVKDONJSA-N 301.408 1.828 10 10 DDCE CC(C)C[C@@]1(C(=O)NCc2c(O)cccc2O)CCNC1=O 1304053742 RGMDSFWOXFLJPJ-INIZCTEOSA-N 306.362 1.266 10 10 DDCE CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)Cc1ccc(O)c(O)c1 1162081611 XLBPEVIDTZFUJY-LBPRGKRZSA-N 306.362 1.156 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCN(CCS(=O)(=O)C(F)(F)F)C1 1912162954 COCRQUWSGOJBJV-QMMMGPOBSA-N 300.306 1.943 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCC=CO1 1291755619 HPTTWXKKOIBQAI-INIZCTEOSA-N 320.364 1.971 10 10 DDCE CC[C@H](CNC(C)=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1297344975 WITOMMAIFFCIGD-LLVKDONJSA-N 305.338 1.494 10 10 DDCE COc1cccc(CNC(=O)c2cccc3nc(O)[nH]c23)c1O 1465993492 QGVTYTFMRAHYRC-UHFFFAOYSA-N 313.313 1.913 10 10 DDCE Cn1nc(C(F)(F)F)cc1C(=O)NCc1cc(O)ccc1O 1471660826 AUFKZVXPGFNWND-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE C[C@@H](NCC(=O)Nc1ccccc1C(N)=O)c1ccccc1O 1620505085 OGWNUTOZRFEXNZ-LLVKDONJSA-N 313.357 1.780 10 10 DDCE Cn1ncc2c1CCC[C@H]2NC(=O)Cc1ccc(O)c(O)c1 1624192664 QXXNJCUEBGTDJJ-GFCCVEGCSA-N 301.346 1.568 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@H](O)c2cnn(C)c2)c1 1622778904 AQLPNEDTCIOBTR-LKFCYVNXSA-N 305.334 1.045 10 10 DDCE CN(CC(=O)NCc1cc(Cl)ccc1O)[C@@H]1CCC[C@H]1O 1639968751 NCSIQSLSVHIYLC-TZMCWYRMSA-N 312.797 1.507 10 10 DDCE CC1(C)[C@H](NC(=O)Cc2ccc(O)c(O)c2)[C@H]2CCCO[C@H]21 1634753374 KJFKUZRTHYUWHJ-HFBAOOFYSA-N 305.374 1.960 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H]3[C@H](C(N)=O)[C@@H]3C2)cc1Br 2136609021 YEWMHCGWGXUXEJ-CXSMTQNASA-N 324.222 1.636 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)[C@H](C)CC(N)=O)cc1C 1491545427 BORWNCQZPYQGAU-OLZOCXBDSA-N 321.421 1.109 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ncn(-c2ccccc2)n1 1637126454 ZGMYQMGUNREWQC-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CN1CCC(ONC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1568989865 QEEZETHUTQSFST-UHFFFAOYSA-N 305.338 1.605 10 10 DDCE CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)CNC(C)=O 1739248682 DJDKKPQCIGDSNZ-SNVBAGLBSA-N 319.365 1.836 10 10 DDCE C[C@H]1C[C@H](C)CN(C(=O)CCN2C(=O)CSC2=S)C1 1865766255 ZAZNCHBFCYIQCK-UWVGGRQHSA-N 300.449 1.741 10 10 DDCE O=S(=O)(NCCNCc1cc(Cl)ccc1O)C1CC1 1964610573 SUHZHKTZKCMNGE-UHFFFAOYSA-N 304.799 1.217 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(F)c1 2145062254 RFCWDEVXNLBQCI-JOYOIKCWSA-N 302.346 1.047 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)Cc1ccc(N)cc1 1977672939 SDCXZHIEWKDYGV-CQSZACIVSA-N 319.405 1.937 10 10 DDCE Oc1ccc(Br)cc1CNC[C@H](O)c1cnc[nH]1 2028279351 DDIYKUABLQTTBX-LBPRGKRZSA-N 312.167 1.701 10 10 DDCE CCNC(=O)NCCNCc1ccc(Br)cc1O 691490869 YTZSGNVJVMZKCB-UHFFFAOYSA-N 316.199 1.563 10 10 DDCE CCN(c1ccc(CN)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 387169543 AGSCWJTXPIUBHP-LBPRGKRZSA-N 302.827 1.812 10 10 DDCE CP(C)(=O)[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 2181646592 SOHQOORFALCVGP-CYBMUJFWSA-N 316.363 1.796 10 10 DDCE NCc1ccc(N2C[C@@H]3C[C@H](CO)[C@@H]3C2)cc1Br 2053981737 JZODAKLJYIWTEV-DMDPSCGWSA-N 311.223 1.972 10 10 DDCE CO[C@H]1COC[C@@H]1NCc1cc(Br)cc(F)c1O 2057145623 LATYIWJZQSFDOT-QWRGUYRKSA-N 320.158 1.797 10 10 DDCE COc1cc(Cl)cc(CNC2(CO)CC(OC)C2)c1O 2198592023 JCMYUCCPSOVVQC-UHFFFAOYSA-N 301.770 1.684 10 10 DDCE O=C(N[C@@H]1CCCC2(CC1)OCCO2)c1cc(O)nc(O)c1 2095751181 QRCQGUJQFLDHMS-LLVKDONJSA-N 308.334 1.298 10 10 DDCE CS(=O)(=O)N[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 116869177 DEYWPPPAYZEEOZ-CQSZACIVSA-N 310.419 1.004 10 10 DDCE CN(C)c1ccc(CN2CCO[C@H](Cn3cccn3)C2)cc1 122143948 HKIHEDKJXXLSOH-KRWDZBQOSA-N 300.406 1.850 10 10 DDCE CCNC(=O)CN(CC)c1ccc(CN)cc1Br 212916015 MVTTXXVOIHZVBQ-UHFFFAOYSA-N 314.227 1.870 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1cn(C[C@@H]2CCOC2)nn1 528823064 FWFVJVQUZZMNJL-LBPRGKRZSA-N 316.361 1.292 10 10 DDCE NC(=O)N[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1 271407191 WXARIULHJKVUIO-VIFPVBQESA-N 314.729 1.196 10 10 DDCE COCCN1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 272544771 YKPCBKZCPUGKGM-GQCTYLIASA-N 320.389 1.292 10 10 DDCE Cc1ccc(C(=O)N2CCOC[C@@H]2CC(F)F)c(O)c1O 286817013 WPVLEIUDHUBYRV-VIFPVBQESA-N 301.289 1.902 10 10 DDCE CN(C)c1ccc(CNC(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)cc1 290769639 LIHSUZXEJQUBRM-BPUTZDHNSA-N 303.406 1.807 10 10 DDCE COC(=O)[C@@H](C1CC1)S(=O)(=O)N1CCC[C@@H]1CN=[N+]=[N-] 2167088267 UQORFFXBBKEGHE-NXEZZACHSA-N 302.356 1.043 10 10 DDCE C[C@@H]1CC[C@@H](O)CN1Cc1ccc(N2CCN(C)CC2)cc1 817414645 NDGNYYJJTAZXMV-CRAIPNDOSA-N 303.450 1.784 10 10 DDCE CN(c1ccn(C)n1)S(=O)(=O)c1cc(F)cc(F)c1O 821198444 NGXPBTBVFDPMNH-UHFFFAOYSA-N 303.290 1.229 10 10 DDCE Cc1cc(CC(=O)NC[C@@](C)(O)CO)c(C)n1-c1ccccc1 834866058 QFWVVBKOMWEFRR-GOSISDBHSA-N 316.401 1.496 10 10 DDCE O=S(=O)(Nc1ccc(O)c(F)c1F)c1cnc2n1CCC2 830184367 BIGZXDUMKSLMFT-UHFFFAOYSA-N 315.301 1.614 10 10 DDCE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1895031137 AISDFQMGHCLWNQ-JHJVBQTASA-N 324.421 1.899 10 10 DDCE Cc1cc(N(C)C)ccc1CNS(=O)(=O)[C@H]1CCCNC1 923611252 BFDCHSNCKLGUKW-HNNXBMFYSA-N 311.451 1.232 10 10 DDCE CN(C)c1cc(F)c(CNC[C@H](O)[C@H]2CCCO2)cc1F 858227645 WLMQRHVYCNWJFB-LSDHHAIUSA-N 300.349 1.660 10 10 DDCE COc1ccc(N2CC[C@H](N[C@H](C)[C@@H]3[C@H]4CN[C@H]3C4)C2)cc1 925713103 IWKAFQBDYUOOCW-WTEFKJMHSA-N 301.434 1.860 10 10 DDCE COc1ccccc1[C@H](O)CNCc1cc2c(cc1O)OCO2 853092748 LHHVLHSSBGUBLL-CQSZACIVSA-N 317.341 1.953 10 10 DDCE CO[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)[C@@](C)(CO)C1 931472325 YCTDCXFWGDAHOF-QZTJIDSGSA-N 320.433 1.495 10 10 DDCE CN(C)c1ccc(CN2C(=O)N[C@H](Cc3ccccn3)C2=O)cc1 760949314 MDLWXMWBGGKEGH-MRXNPFEDSA-N 324.384 1.811 10 10 DDCE O=C(NCc1ccccc1O)NC[C@H]1CC2(CCOCC2)CO1 869036054 SWROWLNFVOEXAY-CQSZACIVSA-N 320.389 1.777 10 10 DDCE CCOc1ccc(O)c(CN2CCC(C(=O)NCCO)CC2)c1 768316091 CHXZWKWZFXDBJS-UHFFFAOYSA-N 322.405 1.111 10 10 DDCE C[C@H](c1ccnn1C)N1C(=O)CN(Cc2ccccc2O)C1=O 865339466 JXVCEONAEMZDSF-LLVKDONJSA-N 314.345 1.651 10 10 DDCE CCO[C@]12CCC[C@@]1(NC(=O)c1cccc(O)c1O)CCO2 889804428 OEHXNVZEFVZCNA-CVEARBPZSA-N 307.346 1.903 10 10 DDCE CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CN2CCC1CC2 779515812 CEBPNIVVVVKHCG-LYKUJDHUSA-N 302.374 1.664 10 10 DDCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)Nc1ccccc1 1136738422 MDHRWNPASFIDTP-NSHDSACASA-N 314.341 1.784 10 10 DDCE C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)c3cccc(O)c3O)O2)CO1 899479984 PZEPZSSIMXHDAY-OHUAYANFSA-N 307.346 1.554 10 10 DDCE CCN(CC)c1ccc(CN2CC[C@@](O)(C(=O)OC)C2)cc1F 895706191 FAGUOVHMWSVFAV-KRWDZBQOSA-N 324.396 1.782 10 10 DDCE COC[C@@H](CO)NCc1cc(C)cc(Br)c1O 793326090 ZTUTVISZAWZFFZ-SNVBAGLBSA-N 304.184 1.560 10 10 DDCE CC[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCCO1 798417033 GWWWUQDKTPYUSP-JTQLQIEISA-N 321.333 1.931 10 10 DDCE CC(C)[C@@H](NC(=O)C(=O)NCCc1ccc(N)cc1)C1CC1 1328367389 FFIFIRKWGHVIPC-OAHLLOKOSA-N 303.406 1.478 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CC=C[C@H]3CO)c(Br)cc21 2119815054 IDIPQLICYAJFOL-JVXZTZIISA-N 324.178 1.138 10 10 DDCE CCC(=O)NCC(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1265758526 FOHLLZMMIPRFCM-ZDUSSCGKSA-N 321.421 1.124 10 10 DDCE CC(=O)C(=O)[C@H](O)[C@H](CNC(=O)OC(C)(C)C)CC(C)C 1919368283 LCTYLYQLUJBNMG-WCQYABFASA-N 301.383 1.692 10 10 DDCE C[C@@H](CC(=O)NCc1cc(O)ccc1O)NC(=O)C1CCCC1 1637126469 ZONBXZOCQFPHFQ-NSHDSACASA-N 320.389 1.799 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cn(-c2cccnc2)nn1 1638356760 NRERKXBCVJRQEO-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE CC(C)(C)OC(=O)NOCC(=O)NCc1c(O)cccc1O 1647289366 AOPGXFWREYZVGW-UHFFFAOYSA-N 312.322 1.170 10 10 DDCE C[C@@H](c1cc(F)ccc1O)N1CCN(S(C)(=O)=O)CC1 134033011 DEJAZYGSEBYSIU-JTQLQIEISA-N 302.371 1.170 10 10 DDCE Nc1ccc(-n2nnc(C(=O)Nc3ccc(F)cc3F)n2)cc1 1857878473 CZBSTEGUYPEHJE-UHFFFAOYSA-N 316.271 1.775 10 10 DDCE OCCC[C@@H](CO)NCc1c(O)cccc1Br 1942755273 KBAVWPRBKBOCCZ-VIFPVBQESA-N 304.184 1.378 10 10 DDCE Cn1cc([C@@H](O)[C@@H](N)c2ccccc2O)c(Br)n1 2031155305 VWMGUWVSFPQWNI-WDEREUQCSA-N 312.167 1.622 10 10 DDCE O=S1(=O)CCC[C@@H](NCc2cc(F)cc(F)c2O)CC1 708518039 YSOADWVGPGPXTC-LLVKDONJSA-N 305.346 1.727 10 10 DDCE CS[C@@H]1CN(c2c(F)cc(CN)cc2F)C[C@H]1N(C)C 2170717582 PZQQVOMLTLPJIR-CHWSQXEVSA-N 301.406 1.905 10 10 DDCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)NC2CCS(=O)(=O)CC2)C1 2197932594 PAPJKXSWYAQGTO-SNVBAGLBSA-N 301.372 1.048 10 10 DDCE CP1(=O)CCN(CCNCc2cccc(F)c2O)CC1 2199616175 UWXSSZSVCQLSFL-UHFFFAOYSA-N 300.314 1.929 10 10 DDCE CNCc1ccc(N(C)Cc2cnnn2C)c(Br)c1 2100251020 PTXYCZXIZMQUEF-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE O=S1(=O)C[C@@H]2CN(Cc3cccc(Cl)c3O)C[C@H]2C1 2087858121 IEWVUQDVJAMJTN-QWRGUYRKSA-N 301.795 1.522 10 10 DDCE NCc1ccc(N2CC(C(=O)NC3CC3)C2)cc1Br 2111739839 BOJPKMJZYKUEJO-UHFFFAOYSA-N 324.222 1.623 10 10 DDCE NCc1cc(F)c(N2C[C@@H](CO)C[C@H](CO)C2)cc1Cl 2236640667 BMPHKGPXKIGGOB-UWVGGRQHSA-N 302.777 1.365 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@H]2[C@H](O)CO)c(Br)c1 2258332149 MONXRLAYWNBFKK-AQUOVQTQSA-N 316.195 1.434 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H](C)[C@@H]2C(=O)O)s1 2269135220 SIBWBDWISYYRFF-HTRCEHHLSA-N 301.393 1.480 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H](C)[C@@H](C)C(=O)O)s1 2269120282 ZFEDZZMDFOHRDM-RQJHMYQMSA-N 303.409 1.773 10 10 DDCE Cc1ccc(CNC(=O)CN(C)C)c(O)c1Br 2307453716 ATUOVPKRLRGSHP-UHFFFAOYSA-N 301.184 1.641 10 10 DDCE CCS(=O)(=O)N(C)NCc1cc(Cl)cc(OC)c1O 2339774906 ZJEBGRUKXFFXFL-UHFFFAOYSA-N 308.787 1.340 10 10 DDCE Cc1nc2cc(NC=C3C(=O)N(C)C(=O)N(C)C3=O)ccc2o1 60865629 GRPXFOHLWJWQDR-UHFFFAOYSA-N 314.301 1.482 10 10 DDCE COc1ccc(N2CCN(CCc3cnn(C)c3)CC2)cc1 77247137 GEXWCRDDTDRNMS-UHFFFAOYSA-N 300.406 1.793 10 10 DDCE Oc1ccc(I)cc1[C@@H]1C[C@H](O)CN1 1952068432 OMGPZFCLKKBIIB-CBAPKCEASA-N 305.115 1.392 10 10 DDCE COc1ccc(CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(O)c1 93422091 SRFIEJSYDOSJJN-WDEREUQCSA-N 301.408 1.654 10 10 DDCE C/C=C/[C@@H](O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 900901992 QIBWZZJKXIJLAB-WOMSROEHSA-N 322.380 1.340 10 10 DDCE COC[C@H](CO)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 834819688 PBSPIANVGOKDMN-INIZCTEOSA-N 316.401 1.760 10 10 DDCE CN(Cc1ccccc1O)C(=O)CC1(C(=O)O)CCOCC1 911231055 QAOFVWXUGJPXTF-UHFFFAOYSA-N 307.346 1.622 10 10 DDCE C=CC(=O)NCCC(=O)NCc1ccc(N2CCCCC2)cc1 746148777 RXYNHOSBQACWDZ-UHFFFAOYSA-N 315.417 1.985 10 10 DDCE Cn1ncc2c1C[C@H](C(=O)NCc1c(O)cccc1F)CC2 928707443 DPBQKERVXBPVAE-SNVBAGLBSA-N 303.337 1.686 10 10 DDCE OCCN1CCCC[C@@H]1CNCc1ccc2c(c1)CCCO2 922153978 GXTLSLYYCQJMSL-QGZVFWFLSA-N 304.434 1.948 10 10 DDCE N[C@H]1C[C@H]2CC[C@H]1N(Cc1ccc(N3CCOCC3)cc1)C2 923396991 ADLUJWKEGFGNDK-BPQIPLTHSA-N 301.434 1.835 10 10 DDCE COCC1(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 854299758 LBKSCYBGCKQILS-CYBMUJFWSA-N 319.405 1.752 10 10 DDCE COc1ccc(N2CCN(CN3C(=O)CC3(C)C)CC2)cc1 1333356244 BSMMWGGBJAIEHU-UHFFFAOYSA-N 303.406 1.786 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc(CO)c(Cl)c1 696848149 QQNBNPMHNSXPEE-STQMWFEESA-N 319.810 1.081 10 10 DDCE NC1(CNCc2ccc(N3CCOCC3)cc2)CCOCC1 863482026 PXYBUOGMWWQYDP-UHFFFAOYSA-N 305.422 1.121 10 10 DDCE C[C@H](NC(=O)NCCCC(=O)NC1CC1)c1ccccc1O 868110882 UKAJQWNQRAYLMK-NSHDSACASA-N 305.378 1.811 10 10 DDCE C[C@@]12CNC[C@]1(C)CN(Cc1ccc(N3CCOCC3)cc1)C2 863651249 IHWZIEQRGVCRGZ-KDURUIRLSA-N 315.461 1.955 10 10 DDCE COc1cc(O)c(CN[C@H]2CCN(C3CCC3)C2=O)cc1OC 862551308 LXTAATJGDQLADG-ZDUSSCGKSA-N 320.389 1.652 10 10 DDCE C[C@H](NC(=O)NCCOC[C@@H]1CCOC1)c1ccccc1O 868233623 XMRGJKFCHKQWQF-QWHCGFSZSA-N 308.378 1.806 10 10 DDCE CCOC(=O)[C@H](CC1CC1)NC(=O)/C=C/c1ccc(O)c(O)c1 779530602 KGYFVOBMEHPZKR-CFNZNRNTSA-N 319.357 1.959 10 10 DDCE CN(C)c1ccc([C@@H](N)CNC(=O)CCC23CC(CN2)C3)cc1 870933522 OEZSZANHHZXVOK-MNQCNDSGSA-N 316.449 1.401 10 10 DDCE CCS(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 70250558 JGGVRJGLPWWYLJ-UHFFFAOYSA-N 312.800 1.473 10 10 DDCE COc1cc(C)cc(CN2CCO[C@@H](C(=O)C3CC3)C2)c1O 894682939 GRQHPLMGAGAVQX-OAHLLOKOSA-N 305.374 1.889 10 10 DDCE COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CCCO2)cc1C 1320958105 YOVAEERNYAVBQW-LIMHQNJXSA-N 318.417 1.945 10 10 DDCE C[C@@H]1C[C@@H]1CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 1327676015 GUMRHBKJRLPVOH-IUODEOHRSA-N 315.417 1.457 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cc(N)ccn3)C2)cc1 1347774758 HNYGXPJETUDRSH-CYBMUJFWSA-N 312.373 1.681 10 10 DDCE COc1c(C)cnc(CNC(=O)Cc2ccc(O)c(O)c2)c1C 1464613711 UHUAQKNAQXMFDN-UHFFFAOYSA-N 316.357 1.977 10 10 DDCE COC[C@]1(CO)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1468146275 XBAGUBWBMFWCIN-OAHLLOKOSA-N 320.349 1.320 10 10 DDCE C[C@H](NC[C@](O)(C(N)=O)c1ccccc1)c1ccccc1O 1473724192 QMYXWSMPJJSCBL-YVEFUNNKSA-N 300.358 1.416 10 10 DDCE C[C@@H](NC(=O)c1cccc(OCC(N)=O)c1)c1ccccc1O 1557966542 GVORFTPMMPWFFQ-LLVKDONJSA-N 314.341 1.747 10 10 DDCE NCc1ccc(N2CCN3C(=O)CC[C@@H]3C2)cc1Br 228154927 XAESNFYRGNBWES-GFCCVEGCSA-N 324.222 1.719 10 10 DDCE CCOC(=O)Cn1nc(C)cc1NC(=O)c1cccc(O)c1O 1640554575 FFHJWLBFXJGYBL-UHFFFAOYSA-N 319.317 1.418 10 10 DDCE Cn1cccc(C(=O)NCc2ccc3cccnc3c2O)c1=O 1570533751 PBEFGLVWHNGQDS-UHFFFAOYSA-N 309.325 1.569 10 10 DDCE C[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@@H](C(N)=O)O1 160407098 SOVRWSSLQJQRNJ-BZNIZROVSA-N 304.390 1.346 10 10 DDCE COc1cc(N2CCNCC2)cc(Br)c1OC 7274858 KGBODPUISLFHEZ-UHFFFAOYSA-N 301.184 1.876 10 10 DDCE CCN(CC)c1ccc(CNCC(=O)N2CCC(=O)CC2)cc1 1857866492 NDQYNJGXRSOFCF-UHFFFAOYSA-N 317.433 1.814 10 10 DDCE Brc1cn(CCNCc2ccc3c(c2)CCO3)nn1 1878206991 LOPBOBVLJZHDSK-UHFFFAOYSA-N 323.194 1.765 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CC(N=[N+]=[N-])C2)=C[C@H]1O 1987692940 PAIQYTUUKVAOFF-WDEREUQCSA-N 323.353 1.092 10 10 DDCE C[C@@H](c1ccc(F)cc1O)N(C)C[C@@H]1CCS(=O)(=O)C1 2148786123 CWBXEZZWQDKUOA-QWRGUYRKSA-N 301.383 1.959 10 10 DDCE CS(=O)(=O)C[C@H]1CCCCN1c1ccc(CO)cc1F 2151287891 HEKGYCYSHHCRSR-GFCCVEGCSA-N 301.383 1.722 10 10 DDCE NC[C@H]1C[C@H](O)CN1Cc1ccc(Br)cc1O 2014247799 NKHKWHUIGWINIC-MNOVXSKESA-N 301.184 1.049 10 10 DDCE Oc1c(Br)cccc1CNCCCn1cnnc1 381939874 UAGSACNCZSOLFN-UHFFFAOYSA-N 311.183 1.926 10 10 DDCE CC(C)C[C@H](CO)CNS(=O)(=O)Cc1ccc(N)cc1 2177251555 PPWBUNWNHNPMSH-ZDUSSCGKSA-N 300.424 1.343 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@H]3CCN(C)C)c2n1 2062330323 UKCKPFDITLMMCS-LBPRGKRZSA-N 317.393 1.300 10 10 DDCE O=C(CC1CC(=O)NC(=O)C1)NCc1cc(Cl)ccc1O 2062733262 FVQXNHJUYGPFSC-UHFFFAOYSA-N 310.737 1.105 10 10 DDCE CO[C@H](CNC(=O)c1cnn2c(O)cc(C)nc12)C(C)(C)C 2064323075 TXZXQICJNBKLGL-LLVKDONJSA-N 306.366 1.534 10 10 DDCE CN(CC1[C@@H]2CS(=O)(=O)C[C@@H]12)c1ccc(CN)c(Cl)c1 2174646973 IUHLDUPDHNJIGO-STQMWFEESA-N 314.838 1.526 10 10 DDCE CCCN(CCS(C)(=O)=O)[C@H](C)c1c(O)cccc1O 2170129932 IXNYQPNSTLANDP-LLVKDONJSA-N 301.408 1.915 10 10 DDCE Cn1c(C2=C[C@@H](O)[C@H](N)C2)nc2cncc(Br)c21 2067754312 HRCKIOUMZFWLSY-PSASIEDQSA-N 309.167 1.206 10 10 DDCE C[C@@H](O)c1cc(F)c(N2CCS(=O)(=O)C[C@H]2C)c(F)c1 2194513376 UGPWQCRDHBPJSW-RKDXNWHRSA-N 305.346 1.641 10 10 DDCE C[C@@H](N)c1cc(F)c(N2CCS(=O)(=O)C[C@H]2C)c(F)c1 2194692311 UZOLHLQKNAYVFM-RKDXNWHRSA-N 304.362 1.608 10 10 DDCE CC1(C)OC[C@@H](NCc2cc(Br)ccc2O)[C@H]1O 2078740133 WWOHZDKJEDUFML-ZYHUDNBSSA-N 316.195 1.783 10 10 DDCE CNCc1ccc(N2CC(CS(C)(=O)=O)C2)cc1Cl 2103205631 BSLNHKFPROEKCM-UHFFFAOYSA-N 302.827 1.540 10 10 DDCE NCc1cc(F)c(N2C[C@H]3CCO[C@]3(CO)C2)cc1Cl 2239919343 WNGJZTKAVREFPX-YGRLFVJLSA-N 300.761 1.525 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2COCC(C)(C)N2)s1 2269089976 IKSLSRMGBBOERC-VIFPVBQESA-N 301.437 1.248 10 10 DDCE Nc1ccc(OC[C@@H](O)C[S@@](=O)CCC(F)(F)F)cc1 2283702123 LCYTZESIFYWQNI-SBKAZYGRSA-N 311.325 1.710 10 10 DDCE Cn1cc([C@@H]2CCN(C(=O)C=Cc3ccc(O)c(O)c3)C2)cn1 2308001433 JCWIVYXXDLCMHC-CYBMUJFWSA-N 313.357 1.861 10 10 DDCE CC(=O)NN1C(=O)C(=Cc2ccc(C(=O)O)cc2)SC1=S 2314736163 YDWZPNDBBUGISM-UHFFFAOYSA-N 322.367 1.637 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCO[C@H](C)C2)s1 2345467809 FYIYDJJMFPKYRT-PELKAZGASA-N 302.421 1.977 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CNC[C@@H](C)C2)s1 2346568471 NIALRMORTZFAGG-UFBFGSQYSA-N 301.437 1.407 10 10 DDCE Cc1cc(CNC2CC2)ccc1N(C)[C@H]1CCS(=O)(=O)C1 50560653 JVPPHTZVIMANPZ-HNNXBMFYSA-N 308.447 1.870 10 10 DDCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)c1cn(C)cn1 52095943 ZJLWFNHWGLKXKW-UHFFFAOYSA-N 308.407 1.603 10 10 DDCE COC[C@H](O)CN(C)c1cc(OC)c(OC)cc1[N+](=O)[O-] 213631181 JHNFBNZUCYHCPK-SECBINFHSA-N 300.311 1.056 10 10 DDCE C[C@H](c1ccccc1O)N(C)C(=O)C[C@@H]1CCS(=O)(=O)C1 38089783 HFFGYSMVSODOFY-NEPJUHHUSA-N 311.403 1.736 10 10 DDCE CCOc1cccc(CNCC(=O)NCc2ccco2)c1O 236922478 KPVKSKMVSTYXPC-UHFFFAOYSA-N 304.346 1.790 10 10 DDCE CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)OCC(=O)C(C)=O 808530127 NDTFHCAHDGSRDK-HNNXBMFYSA-N 315.366 1.629 10 10 DDCE CC(C)[C@@](C)(CO)NCc1ccc(N2CCN(C)CC2)cc1 810172776 PKTDOJGCYLNOCZ-GOSISDBHSA-N 305.466 1.935 10 10 DDCE COc1ccc(O)c(CNC(=O)Cc2cn(C)nc2Cl)c1 815835219 NMWDTEKPKVRTJN-UHFFFAOYSA-N 309.753 1.647 10 10 DDCE COc1cccc(CNC(=O)NCCO[C@@H]2CC2(F)F)c1O 821444154 HCDKYRQHAJZCBB-LLVKDONJSA-N 316.304 1.624 10 10 DDCE Cn1cc(/C=C2\OCCn3c2nc(Br)c3C=O)nn1 901577122 TZXNFSXHLFKRAA-WTKPLQERSA-N 324.138 1.115 10 10 DDCE Cc1cc(CCNC(=O)Cn2cnnn2)c(C)n1-c1ccccc1 746425278 HSPHGUNWLACHRZ-UHFFFAOYSA-N 324.388 1.440 10 10 DDCE CCOC(=O)[C@H]1C[C@]1(N)c1cccc(Br)c1O 1952813455 HAJOSBYQQVGFNL-PELKAZGASA-N 300.152 1.892 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C(=O)c3ccc[nH]3)C2)cc1 853818058 RTLBONRSPIEXCX-LBPRGKRZSA-N 313.357 1.601 10 10 DDCE COCCOCCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855228840 FDGUYLHKHPBNHJ-CQSZACIVSA-N 322.405 1.443 10 10 DDCE CC1(N2CCOCC2)CCN(C(=O)Nc2ccc(N)cc2)CC1 859697551 IDKQVAXDKUMHAH-UHFFFAOYSA-N 318.421 1.987 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cc(CO)on3)C2)cc1 869229344 UYDVHFYAVLOUCI-LLVKDONJSA-N 317.345 1.184 10 10 DDCE COc1ccc(N2CCC(Nc3nc(C)nc(N)n3)CC2)cc1 865500804 GINBEYHKBMKIII-UHFFFAOYSA-N 314.393 1.852 10 10 DDCE CCOc1ccc(O)c(CN(C)C[C@H]2CCS(=O)(=O)C2)c1 769468207 CSESGVLETRUKJJ-GFCCVEGCSA-N 313.419 1.657 10 10 DDCE COCCN(Cc1cc(OC)c(OC)cc1O)[C@H]1CCOC1 782960571 HELWFDANMLQJQF-ZDUSSCGKSA-N 311.378 1.647 10 10 DDCE COC(=O)[C@@H](NCc1cc(F)cc(F)c1O)c1ccnn1C 895083966 GQBWOIDXDYJGNK-LBPRGKRZSA-N 311.288 1.408 10 10 DDCE NCc1ccc(N2CC[C@H](NC(N)=O)C2)c(Br)c1 700695349 DYWPJUQGNJNRSH-VIFPVBQESA-N 313.199 1.155 10 10 DDCE CC[C@@H]1CN([C@H](CC)C(=O)NCc2cc(O)ccc2O)CCO1 1176755741 UUKXVFJGYPZNCC-HUUCEWRRSA-N 322.405 1.603 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2ccncn2)cc1C 1265840909 DFQHKKNUYXBEFA-CYBMUJFWSA-N 314.389 1.702 10 10 DDCE Cc1ccc(C(=O)N2CCC(c3nnc(N)o3)CC2)c(O)c1O 1452750440 YZPJDRGCMYOSKD-UHFFFAOYSA-N 318.333 1.391 10 10 DDCE C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccccc1O 1471194919 QOGKJAHOMGVLHX-JTQLQIEISA-N 317.301 1.340 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(O[C@H]2CCOC2)CC1 1626170670 HDFACCBEYYKYCX-AWEZNQCLSA-N 321.373 1.437 10 10 DDCE C[C@H]1Cc2n[nH]cc2CN(C(=O)Cc2ccc(O)c(O)c2)C1 1558320404 PISKMBWFFXIDOX-JTQLQIEISA-N 301.346 1.584 10 10 DDCE Nc1noc2cc(CNC(=O)Cc3ccc(O)c(O)c3)ccc12 1630441701 FOFSNCHUHRNLMS-UHFFFAOYSA-N 313.313 1.680 10 10 DDCE CN(CCc1cnccn1)C(=O)c1ccc(N=NC(N)=O)cc1 1632955336 IZKRIZLFETZMLR-UHFFFAOYSA-N 312.333 1.954 10 10 DDCE CC(=O)Nc1nc(C(=O)NCc2cc(O)ccc2O)cs1 1633594822 ALENPEFPGOHWRJ-UHFFFAOYSA-N 307.331 1.443 10 10 DDCE NC(=O)[C@]12CCC[C@H]1CN(C(=O)/C=C\c1ccc(O)c(O)c1)C2 1639605035 LAIPLHMINDBRHM-CEBIWZOBSA-N 316.357 1.225 10 10 DDCE Cc1cc(CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n[nH]1 1632681027 LGGPVFHFCFTARV-SNVBAGLBSA-N 303.362 1.809 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)Nc1cc(C(N)=O)nc(Cl)n1 1651734247 UUTCUBIKPCFHQC-ZETCQYMHSA-N 322.752 1.683 10 10 DDCE CSC[C@@H](C)N(C)S(=O)(=O)CCOc1ccc(N)cc1 123715078 HSYXFHJKCRSIBR-LLVKDONJSA-N 318.464 1.661 10 10 DDCE CN[C@H](c1ccccc1O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C 1959921859 YZYBLZIWDRXDAD-ZLKJLUDKSA-N 310.394 1.927 10 10 DDCE COc1cccc(CNC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1O 158107878 IESSVBZSPIVCEF-SNVBAGLBSA-N 318.377 1.863 10 10 DDCE CCOCCOC(=O)CCNCc1cccc(OCC)c1O 1857869608 MOTLZZAXYHNKFB-UHFFFAOYSA-N 311.378 1.850 10 10 DDCE N[C@H]1COCCN(Cc2ccc(Br)cc2O)C1 1946791131 CQGIHPXGDJMTFF-LLVKDONJSA-N 301.184 1.314 10 10 DDCE C[C@H](O)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl 2144166736 KNXFTWLIAZZBSM-GARJFASQSA-N 315.822 1.874 10 10 DDCE OCc1ccc(N2C[C@H](O)[C@H]3COC[C@H]32)c(Br)c1 2040592296 GSESCTSDOIAHCB-BIMULSAOSA-N 314.179 1.137 10 10 DDCE C[C@@H](C(=O)O)N(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1 2053807965 GBUZAIAIVVSEJL-ZDUSSCGKSA-N 318.373 1.468 10 10 DDCE CNCc1ccc(N(C)C[C@@H]2CCCS2(=O)=O)c(F)c1 710421994 MMOIUGSDKDELKA-LBPRGKRZSA-N 300.399 1.559 10 10 DDCE CNC(=O)CN(C)c1ccc([C@H](C)N)c(Br)c1 723175314 HHCZIBBQWULUET-QMMMGPOBSA-N 300.200 1.651 10 10 DDCE C[C@H](c1ccc(F)cc1O)n1ncc(C(=O)NC2CC2)c1O 2070494165 FMXUEGUAQPQPAC-MRVPVSSYSA-N 305.309 1.935 10 10 DDCE CCCS(=O)(=O)C[C@H](C)NCc1cc(F)cc(F)c1O 2170599045 CBTLKSAITZIXBF-VIFPVBQESA-N 307.362 1.973 10 10 DDCE Cn1nc(Br)nc1C(=O)CCc1ccc(N)cc1 2052958203 XOMSGXFJDKCENF-UHFFFAOYSA-N 309.167 1.975 10 10 DDCE CO[C@H]1COC[C@H]1N(C)c1ccc(CN)c(Br)c1 2057140253 AQMQDLKZLFSRQL-OLZOCXBDSA-N 315.211 1.758 10 10 DDCE COc1ccc(Br)c(CNCc2ncon2)c1O 2220462102 GWAOQGBOXZCRRY-UHFFFAOYSA-N 314.139 1.836 10 10 DDCE CNCc1ccc(N2CC[C@H]2[C@H](O)CO)cc1Br 2258327055 AEONWYRGYLNSIE-QWHCGFSZSA-N 315.211 1.100 10 10 DDCE CSc1ncc(CNC(=O)C[C@H]2COCC[C@H]2N)s1 2269089287 BAGXPSKJVIRWNO-WCBMZHEXSA-N 301.437 1.235 10 10 DDCE Cc1ccc(C=C2C(=O)NC(=O)N(C[C@@H]3CCCO3)C2=O)s1 2296756237 PYZRUFWYEWOGBS-JTQLQIEISA-N 320.370 1.697 10 10 DDCE Cc1ccc(CN(C)C(CO)CO)c(O)c1Br 2307565912 RPTKSUNLJRJJFT-UHFFFAOYSA-N 304.184 1.248 10 10 DDCE Cc1ccc(CNC(=O)[C@H]2NC[C@H]2C)c(O)c1Br 2327590677 ANKIYTADYNODPN-KCJUWKMLSA-N 313.195 1.687 10 10 DDCE Cc1ccc(CN2CC[C@@H](C(N)=O)C2)c(O)c1Br 2327796899 OKLCNUDOCJAWDX-SNVBAGLBSA-N 313.195 1.770 10 10 DDCE C[C@@](Sc1nccs1)(C(=O)O)[C@H]1CCCS(=O)(=O)C1 2351999580 ZVGYDCMCEZGHQH-KWQFWETISA-N 321.445 1.903 10 10 DDCE Oc1ccc2c(c1)O[C@@H]1c3ccc(O)c(O)c3CO[C@H]1[C@@H]2O 59727838 AQPFFYOIRKEBDI-OAGGEKHMSA-N 302.282 1.869 10 10 DDCE biogenic,in-vitro CN(C[C@@H](O)C1CC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 301868519 DXWYVQOWLAIKKN-GFCCVEGCSA-N 307.306 1.133 10 10 DDCE Nc1ccc(OCCS(=O)(=O)Nc2cccc(O)c2)cc1 70490740 AFTNDYSHPUESML-UHFFFAOYSA-N 308.359 1.795 10 10 DDCE COc1ccc(S(N)(=O)=O)cc1NCc1ccccc1O 37134968 YWOGWHBZLSXJDV-UHFFFAOYSA-N 308.359 1.660 10 10 DDCE COC(=O)CCCS(=O)(=O)N(C)[C@@H](C)c1ccccc1O 49062130 UPYOYRGLEXCBSQ-NSHDSACASA-N 315.391 1.668 10 10 DDCE CNC(=O)[C@H](C)CN(C)c1ccc(CN)c(Br)c1 228157452 ZHHVVRKOBYKKSW-SECBINFHSA-N 314.227 1.726 10 10 DDCE COc1ccc(CN2CCC[C@@H]2CN2CCOCC2)c(O)c1 92218471 JGMUCSAUGGKLKU-OAHLLOKOSA-N 306.406 1.697 10 10 DDCE COC[C@](C)(CCO)NCc1cc(Cl)cc(OC)c1O 184709840 YBDCJEODCBILGF-AWEZNQCLSA-N 303.786 1.931 10 10 DDCE COC(=O)CCCCN1C(=O)CN(Cc2ccccc2O)C1=O 819168697 UYLMCGFSXBMOPY-UHFFFAOYSA-N 320.345 1.500 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cn(C)nc1Cl 816028290 CAAHQJHCQMZSDX-SECBINFHSA-N 323.780 1.775 10 10 DDCE CCOc1ccc(O)c(CN2CCC(N3CC[C@@H](O)C3)CC2)c1 827699498 ICRUWDHIPAEVCR-MRXNPFEDSA-N 320.433 1.822 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@@H](OC)C(=O)O)cc1F 901943655 PFUNTFMLVHFRQN-CYBMUJFWSA-N 312.341 1.388 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)COCc2nccn2C)c1 830540148 FUIHLUSYMHVMPN-LLVKDONJSA-N 319.361 1.528 10 10 DDCE Cn1c2c(ccc1=O)[C@@H](NC(=O)Cc1ccc(N)cc1)CCC2 846746596 DQENNGZCYAELGR-HNNXBMFYSA-N 311.385 1.704 10 10 DDCE CC(=O)N1CC[C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 846171108 RPHIYGCDKRKBHW-DXTPNHAXSA-N 304.346 1.096 10 10 DDCE C[C@H](NCCc1cn(C)nn1)c1ccc(N2CCOCC2)cc1 842894167 QUMUEHSRAQRCIL-AWEZNQCLSA-N 315.421 1.545 10 10 DDCE CC[C@H](COCC1CC1)NC(=O)C(=O)Nc1ccc(N)cc1 850833872 SFUBIHURTNRABS-CYBMUJFWSA-N 305.378 1.529 10 10 DDCE C[C@@H](Nc1nccnc1CN)c1ccc(N2CCOCC2)cc1 1336489416 AHQIXOCYLKDVHJ-CYBMUJFWSA-N 313.405 1.945 10 10 DDCE COc1ccc(CNC(=O)N[C@H]2CCCn3nccc32)c(O)c1 869218376 LYFAHRPZZWLBLM-ZDUSSCGKSA-N 316.361 1.932 10 10 DDCE C[C@H](CC(=O)NCc1ccc2cccnc2c1O)NC(N)=O 862024611 CTYMIJPKGTXODV-SECBINFHSA-N 302.334 1.004 10 10 DDCE Cc1cc(CN2CC(S(N)(=O)=O)C2)ccc1N1CCCCC1 930733217 KUOUIMDRAWKIJS-UHFFFAOYSA-N 323.462 1.458 10 10 DDCE C[C@@H](O)CN1CCN(Cc2cc(Cl)cc(F)c2O)CC1 775676070 KFWNKMKFHHUODS-SNVBAGLBSA-N 302.777 1.683 10 10 DDCE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1c(F)ccc(O)c1O 789986965 NTAIWFWNSDYEHG-MRVPVSSYSA-N 321.352 1.948 10 10 DDCE CN1C[C@@H]2CN(c3ccc(CO)c(Br)c3)C[C@H]2C1 705609493 SCCRHKLKQFMIMT-VXGBXAGGSA-N 311.223 1.939 10 10 DDCE COc1cccc([C@@H](O)C(=O)NCc2c(O)cccc2F)c1 1156170064 DYSJPXMKZBEDPP-OAHLLOKOSA-N 305.305 1.890 10 10 DDCE O=S1(=O)CC[C@H]2CN(Cc3ccc(F)c(F)c3O)C[C@H]21 898082026 ZRKDXCFGRQKVRN-GZMMTYOYSA-N 303.330 1.289 10 10 DDCE COC(=O)COc1ccc(N(C)C[C@@H]2C[C@H]3COC[C@@H]3O2)cc1 1334048409 GLBKQANGGRNJML-RCBQFDQVSA-N 321.373 1.479 10 10 DDCE Cc1ccc(CNC(=O)CCN2C(=O)CSC2=S)cc1 1865764935 HTXSMQRROIUSDC-UHFFFAOYSA-N 308.428 1.862 10 10 DDCE COc1ccccc1[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1446734417 RIRMXZFAVLKPQB-CYBMUJFWSA-N 317.341 1.499 10 10 DDCE COC(=O)N1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 1544867271 BIJOBCYDTDJZQT-UHFFFAOYSA-N 319.321 1.373 10 10 DDCE COc1cccc(CNC(=O)c2ncccc2NC(C)=O)c1O 1622779479 PLKMDWVVYMLBIL-UHFFFAOYSA-N 315.329 1.684 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnncc1O 1630180220 LOIQIRAUMDJYST-LBPRGKRZSA-N 314.389 1.918 10 10 DDCE O=C1CCCN1C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1645885245 PIXVFUHQYCAIQP-CYBMUJFWSA-N 318.373 1.111 10 10 DDCE Cc1ccc(O)c(CNC(=O)CNC(=O)c2ccc(O)cc2)c1 1651154296 IPXWHGGAGGHFJK-UHFFFAOYSA-N 314.341 1.452 10 10 DDCE O=C(Cc1csc2nccn12)NCc1c(O)cccc1O 1597573775 GCALGUGWOFFXTD-UHFFFAOYSA-N 303.343 1.666 10 10 DDCE CN(CCNC(=O)OC(C)(C)C)C(=O)Cc1ccc(N)cc1 1959550580 AQOLFIDZLAWZOW-UHFFFAOYSA-N 307.394 1.794 10 10 DDCE C[C@@]1(NC(=O)C(F)(F)F)CCN(Cc2ccc(N)cc2)C1 1959527939 DDECOFSCDXOAGB-CYBMUJFWSA-N 301.312 1.912 10 10 DDCE CN([C@@H]1CCN(Cc2ccc(Cl)cc2O)C1)S(C)(=O)=O 2146959633 WYXYDWJKYQLCBS-GFCCVEGCSA-N 318.826 1.511 10 10 DDCE Cn1cc(Br)c(=NC(=O)c2cccc(O)c2O)[nH]1 2038259589 XOTGQIMIKZXNSC-UHFFFAOYSA-N 312.123 1.268 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCCC(F)(F)F)cc1 70490874 UBOFDRXFEVIDOZ-UHFFFAOYSA-N 312.313 1.519 10 10 DDCE NCc1ccc(N2CC3(CNC(=O)C3)C2)cc1Br 2056004248 MEDUWILNOKDJCK-UHFFFAOYSA-N 310.195 1.234 10 10 DDCE N[C@H]1CCN(Cc2c(O)cccc2Br)C[C@H]1CO 2058550345 YLVIBUPGWHLSIX-CABZTGNLSA-N 315.211 1.296 10 10 DDCE N[C@@H]1CCN(Cc2c(O)cccc2Br)C[C@@H]1CO 2058550344 YLVIBUPGWHLSIX-BXKDBHETSA-N 315.211 1.296 10 10 DDCE CN1CCN(c2cc(Cl)c(CN)cc2F)[C@@H](CCO)C1 2202820251 ILSBIOGHIGZMGV-NSHDSACASA-N 301.793 1.441 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CCC[C@H](CN)O2)s1 2269101699 VOZOOYYXDGNHJI-SCZZXKLOSA-N 301.437 1.378 10 10 DDCE CSc1ncc(CNC(=O)[C@@]2(CCF)CCNC2)s1 2269198801 IVMNRUMBPRALJC-LBPRGKRZSA-N 303.428 1.821 10 10 DDCE COc1ccc(N2CCC[C@@H](C3OCCO3)C2)c(C(=O)O)c1 2227670586 RJJZVIGSGNATEG-LLVKDONJSA-N 307.346 1.983 10 10 DDCE CC[C@@H](C)[C@H]1NC(=O)CN(Cc2cnc(SC)s2)C1=O 2284668419 WXJGYGIOGAXVCG-LDYMZIIASA-N 313.448 1.738 10 10 DDCE CCN1C(=O)C(=CN[C@@H]2CCC[C@H](C)[C@@H]2C)C(=O)NC1=S 2296169484 XBVBDIQWIYUKSX-JBLDHEPKSA-N 309.435 1.548 10 10 DDCE COCCCCCS(=O)(=O)CCOc1ccc(N)cc1 2287497891 ZAGOFUMJBCQTOW-UHFFFAOYSA-N 301.408 1.879 10 10 DDCE O=C1NC(=S)N(C2CC2)C(=O)C1=CNc1ccccc1F 2296936045 WBBZDCHILBSCEI-UHFFFAOYSA-N 305.334 1.527 10 10 DDCE CCOC(=O)[C@@](N)(CSc1nccs1)C(C)(C)OC 2340726582 AGXVXVWSGYYHEZ-LBPRGKRZSA-N 304.437 1.921 10 10 DDCE O=C(CNCc1cc([N+](=O)[O-])ccc1O)NCc1ccco1 57568105 MMSGVWIBALPXRD-UHFFFAOYSA-N 305.290 1.299 10 10 DDCE COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)CC(C)C 62160191 FHEFKMQFWACEBA-UHFFFAOYSA-N 319.405 1.958 10 10 DDCE C[C@H](O)c1cc(F)c(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(F)c1 2361606579 SNVAMKSWJJNELA-VMAXQDLPSA-N 303.330 1.251 10 10 DDCE CCOC(=O)c1cnc(Sc2nccc(C(=O)O)n2)s1 2366141495 RZKZVBCMWGRCIO-UHFFFAOYSA-N 311.344 1.959 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H]2CCCC[C@@H]2CO)cc1 89503846 CJARKPZPUKQCML-ZIAGYGMSSA-N 312.435 1.487 10 10 DDCE C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](CO)O1 191520179 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C[C@@H](O)c1ccc(N(C)[C@H]2CCNC2=O)cc1Br 1916799559 IDWPMDMOLBSAJZ-PELKAZGASA-N 313.195 1.827 10 10 DDCE C[C@@H](NC(=O)C1=C2CCCN=C2NN1)c1ccc(N(C)C)cc1 1467259170 FHNYXZKARDLEOF-LLVKDONJSA-N 313.405 1.484 10 10 DDCE CNS(=O)(=O)c1ccc(C(=O)NCc2cc(C)ccc2O)o1 1470253889 AZBASZXJVJRNFA-UHFFFAOYSA-N 324.358 1.132 10 10 DDCE C[C@@H]1COC[C@@H]([C@@H]2CCCC(=O)C2=O)N1C(=O)OC(C)(C)C 227198408 ZBDNXOBBULFSCV-WOPDTQHZSA-N 311.378 1.949 10 10 DDCE C[C@H](c1ccccc1)[C@@H](NC(=O)c1cc(O)cs1)C(N)=O 1569793371 HWPLGKZQGOXBLN-NOZJJQNGSA-N 304.371 1.841 10 10 DDCE C[C@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)c1ccccc1O 1587451072 HEFKCULORQFTLH-VIFPVBQESA-N 313.313 1.609 10 10 DDCE OCc1ccc(N2CC[C@H](O)[C@H](F)C2)cc1Br 1941015042 FNWQPYHNMWVLFZ-NEPJUHHUSA-N 304.159 1.851 10 10 DDCE Oc1c(Br)cccc1CNC[C@H](O)c1cnc[nH]1 2028280168 KTPNBLGHSCNVRC-NSHDSACASA-N 312.167 1.701 10 10 DDCE CN(CC[S@](C)=O)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 399031030 QBVFKJHZQMNLQH-WYRIXSBYSA-N 301.799 1.107 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC34CCN(C)CC4)c2n1 2063689698 MNFAOPPIQDPBKB-UHFFFAOYSA-N 315.377 1.054 10 10 DDCE CCC1(O)CCN(C(=O)c2cnn3c(O)cc(C)nc23)CC1 2064706809 SFPNWXMLJIVEDX-UHFFFAOYSA-N 304.350 1.120 10 10 DDCE C[C@@H](N)c1ccc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)c(F)c1 2170278528 TYWDYAGXJSVTNI-GMTAPVOTSA-N 300.399 1.857 10 10 DDCE CCN(c1ccc([C@H](C)O)c(O)c1)[C@@H](C)CS(C)(=O)=O 2170420109 JYMXPKQZCXBNNF-QWRGUYRKSA-N 301.408 1.705 10 10 DDCE CP(C)(=O)CCNS(=O)(=O)CCOc1ccc(N)cc1 2194069212 AKQCGILQWZBQOZ-UHFFFAOYSA-N 320.351 1.190 10 10 DDCE C[C@](NCCN=[N+]=[N-])(C(N)=O)c1ncccc1Br 2056518843 ILNSULYWTGKKAM-SNVBAGLBSA-N 313.159 1.445 10 10 DDCE CCn1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(=N)[nH]1 2191792702 UZWPRBVCNVDLIK-UHFFFAOYSA-N 316.770 1.475 10 10 DDCE C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CCS1 2087436400 VBMONFZVDLTKRO-MFKMUULPSA-N 300.449 1.972 10 10 DDCE NCc1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 2094929601 FHFINHCNABCZGB-GXFFZTMASA-N 300.811 1.422 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@@H]2[C@H](O)CO)cc1Br 2258330897 JSHBRANKUVVZHM-ZEGGKSINSA-N 316.195 1.434 10 10 DDCE N=C(N)c1cnc(Sc2nnnn2CC(F)(F)F)s1 2278751124 YZXPJSSGRHSWRQ-UHFFFAOYSA-N 309.302 1.127 10 10 DDCE Cc1ccc(CN(C)C[C@@H]2CC(=O)N2)c(O)c1Br 2327790088 RGWUKCBDESWHAF-JTQLQIEISA-N 313.195 1.783 10 10 DDCE CC(C)Cc1nc(NN(C)S(C)(=O)=O)sc1C(=O)O 2339730147 HAXWUNQUCGUTFN-UHFFFAOYSA-N 307.397 1.258 10 10 DDCE COc1cc(CC(=O)NCCc2ccc(O)c(O)c2)ccc1O 28572508 FAYGSEKNOJLNLG-UHFFFAOYSA-N 317.341 1.713 10 10 DDCE C[C@@H](O)CCNC(=O)NCc1ccc(N2CCSCC2)cc1 114823935 PRLARWPYSZZDIA-CYBMUJFWSA-N 323.462 1.810 10 10 DDCE COCCOC[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2O)C1 173733605 XPFQECHSSHUOHZ-LBPRGKRZSA-N 310.350 1.785 10 10 DDCE COc1ccc(CNC(C)(C)CCN2CCN(C)CC2)c(O)c1 185891585 FJDAGTVJBVREED-UHFFFAOYSA-N 321.465 1.907 10 10 DDCE CCS(=O)(=O)N(C)Nc1nc(C(C)(C)C(=O)OC)cs1 2365341367 ILYAWJJRVCREHM-UHFFFAOYSA-N 321.424 1.202 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](N)[C@@H](c2cc(O)c(O)cc2O)C1 310001649 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CN1CCC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1=O 294691698 KPJHLNAWQNJPGI-OAHLLOKOSA-N 315.417 1.554 10 10 DDCE CS(=O)(=O)NC[C@H]1CCC[C@H]1NCc1ccc2c(c1)CCO2 800309703 MQIKVOZKOJGNNN-HUUCEWRRSA-N 324.446 1.429 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(C)c1-n1c(C)ccc1C 808508704 BLUGWNIUZOUSPX-UHFFFAOYSA-N 303.318 1.143 10 10 DDCE COc1ccc(O)c(CN2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1 824653703 FZPYHRORVMPYCX-JGGQBBKZSA-N 307.390 1.763 10 10 DDCE CC[C@@H](NCCNS(=O)(=O)C(F)F)c1ccccc1O 1964515740 REPABZDXTUAGRI-SNVBAGLBSA-N 308.350 1.575 10 10 DDCE CCOc1ccc(CNC[C@H]2CN(C3CC3)C(=O)O2)c(O)c1 848577169 BBTIZNSGWFLISX-AWEZNQCLSA-N 306.362 1.864 10 10 DDCE O=C1CCC2=C(CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)N1 855152691 ABQCABZRDWNTQP-QHHAFSJGSA-N 314.341 1.507 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@]3(C)CCNC3)C2)cc1 851640530 XJPJATYZJUALJE-CXAGYDPISA-N 303.406 1.390 10 10 DDCE COC1(CS(=O)(=O)NCc2c(O)cccc2F)CCCC1 921452675 WEWNMICKNOUAKG-UHFFFAOYSA-N 317.382 1.910 10 10 DDCE CC[C@@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(C)cc1O 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COC(CN(C)c1ccc(CN)cc1Br)OC 714627366 IWANBLAHBOCLHH-UHFFFAOYSA-N 303.200 1.963 10 10 DDCE CN(C)c1ccc([C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 1917209311 PHEQFMILMLUMLW-QWHCGFSZSA-N 324.377 1.764 10 10 DDCE CC(C)(C)[C@@H](NC(=O)c1cccc(O)c1O)c1nc(=O)o[nH]1 1162934767 GDHQRQNTINRGOS-JTQLQIEISA-N 307.306 1.291 10 10 DDCE COc1ccc(CNC(=O)NCc2c(O)cccc2F)nc1 1478551336 UXOFQRBUSJZOOO-UHFFFAOYSA-N 305.309 1.934 10 10 DDCE C[C@@H](NC(=O)CSc1n[nH]c(O)n1)c1ccc(N(C)C)cc1 1616834779 MIQPVTSZSZQGJT-SECBINFHSA-N 321.406 1.546 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCNC(N)=O 1628951424 XLBSNKJRMXURFW-UHFFFAOYSA-N 304.394 1.304 10 10 DDCE O=C(C[C@@H]1COc2ccccc2O1)NCc1cccc(O)c1O 1558161238 JQMPTWPPOLKNCO-GFCCVEGCSA-N 315.325 1.944 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cc(C(F)(F)F)n[nH]1 1566369604 MVSCSODQQFRZPF-UHFFFAOYSA-N 315.251 1.812 10 10 DDCE COC(=O)C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C1CC1 1632889544 GXDASQWGRFBUMZ-GFCCVEGCSA-N 307.346 1.346 10 10 DDCE COC(=O)Cc1sccc1C(=O)NCc1ccc(O)c(O)c1 1635960182 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10 10 DDCE OC[C@@H](O)[C@@H](C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1 2054618185 UWWISKPOVFKUES-WMLDXEAASA-N 302.326 1.954 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C12CC(CN1C1CC1)C2 2064547882 FXNVKWZHQVGQAI-UDBNUGGLSA-N 316.401 1.772 10 10 DDCE Nc1ccc(OCCC(=O)N2CC[C@@H](C3OCCO3)C2)cc1 2089598561 DJAOSZGVCWRBTA-GFCCVEGCSA-N 306.362 1.259 10 10 DDCE CSc1ncc(CNS(=O)(=O)CC2(CN)CC2)s1 2261220691 WJRZVLZWMLTLNS-UHFFFAOYSA-N 307.466 1.023 10 10 DDCE COc1cc(OC)c(N2CCO[C@@H](CCO)C2)cc1Cl 2285874660 OJRJMFFKAMIHHE-JTQLQIEISA-N 301.770 1.945 10 10 DDCE CO[C@H](C)CC[S@](=O)C[C@H](O)COc1ccc(N)cc1 2362085046 URHBAIZFSIHCBC-YZRASEIHSA-N 301.408 1.182 10 10 DDCE C[C@@H]1CCC[C@@H](CS(=O)(=O)Nc2ccc(O)c(N)c2)O1 2364234017 GYMHBBIWXWGDEL-KOLCDFICSA-N 300.380 1.674 10 10 DDCE N[C@@]1(C(=O)O)CCc2cc(I)cc(O)c21 238630569 JULCYRGOHQPZQZ-JTQLQIEISA-N 319.098 1.182 10 10 DDCE CC(=O)N(C(C)=O)S(=O)(=O)c1ccc(N=NN(C)C)cc1 254806493 VMNURUGGGGJYOC-UHFFFAOYSA-N 312.351 1.331 10 10 DDCE Oc1cccc(Br)c1CNC[C@H]1COC[C@H]1O 1948505332 TWVLSQCDKQLFEO-QPUJVOFHSA-N 302.168 1.252 10 10 DDCE COc1cc(CN2C[C@@H](O)C[C@@H](O)C2)c(O)c(C(C)(C)C)c1 824912873 CFBFBZPSHQTOJG-BETUJISGSA-N 309.406 1.626 10 10 DDCE CCOc1ccc(CN2CCC(N3CC[C@@H](O)C3)CC2)c(O)c1 827699106 FASDGJMRPIFDKA-MRXNPFEDSA-N 320.433 1.822 10 10 DDCE CC(C)c1cnc(/C=C2/SC(N3CCOCC3)=NC2=O)[nH]1 901441394 APFJKZPXTJYPHS-YRNVUSSQSA-N 306.391 1.836 10 10 DDCE COc1cccc(CNC(=O)NC[C@H]2C[C@@H](N(C)C)C2)c1O 847410535 HRSLHXGVFVAROT-BJHJDKERSA-N 307.394 1.540 10 10 DDCE COC(=O)[C@H]1CNCCCN1Cc1cc(Cl)cc(C)c1O 843122440 CJHJOIGDRBEJHA-CYBMUJFWSA-N 312.797 1.691 10 10 DDCE CN1C[C@@H](Cc2ccc(N)cc2)N(C(=O)OC(C)(C)C)CC1=O 1952758361 YOWOSFSRXYGPHY-CQSZACIVSA-N 319.405 1.889 10 10 DDCE CC(C)(C)OC(=O)N1CCCNC[C@H]1c1cc(O)nc(O)c1 1952860848 FQHPDBIELLUBBY-NSHDSACASA-N 309.366 1.764 10 10 DDCE C[C@H](Sc1nncn1C)C(=O)NCc1c(O)cccc1F 928712328 RGRPSULHPGBFEO-QMMMGPOBSA-N 310.354 1.457 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)cc2)CC[C@H]1CO 1895707713 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1.779 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1C[C@H]1C1CC1 1327741230 RRQVEVZDHVVDLL-JKSUJKDBSA-N 315.417 1.592 10 10 DDCE CC(C)CN1C[C@H](C(=O)NCc2cccc(O)c2O)CC1=O 1263894762 UTTSCPZXONMYIX-GFCCVEGCSA-N 306.362 1.219 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc[n+]([O-])c1 1263651786 VYJGSUZVVRSFFC-UHFFFAOYSA-N 314.345 1.817 10 10 DDCE CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1447299059 HCHXTMPTUKYCDJ-GFCCVEGCSA-N 317.349 1.590 10 10 DDCE Cn1cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)cn1 1442236758 UKEISDQMYWLEMD-UHFFFAOYSA-N 303.343 1.976 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](n3cncn3)C2)cc1 1467281921 OEYDZCHCZLWZPI-GFCCVEGCSA-N 313.321 1.528 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccnc(-n2cccn2)c1 1637125886 FYQHKVKCGISVIJ-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cncnc1N1CCCC1 1635676836 OITVEOONJZTCLV-UHFFFAOYSA-N 314.345 1.669 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)[C@@H]2CCN(C)C2)cc1C 1567079273 RNEQIGACCQJKKR-GOEBONIOSA-N 319.449 1.550 10 10 DDCE CO[C@]1(CO)CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1641046462 MTPQIGOOAWGMHD-OAHLLOKOSA-N 320.349 1.463 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCCCOc1ncccn1 1570873003 XYOBUAQFKNZLDJ-GQCTYLIASA-N 315.329 1.486 10 10 DDCE CO[C@@H](Cc1ccccc1)C(=O)NCc1cccc(O)c1O 1651175724 KLDQDUIZTKGKMK-HNNXBMFYSA-N 301.342 1.972 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cc(-c2ccncc2)[nH]n1 1860198198 OMACTTKKLJXHMI-UHFFFAOYSA-N 324.340 1.855 10 10 DDCE CC(=O)N[C@H](C)CN=NNc1ccc2c(c1)OCC(=O)N2C 1860494242 WYVKORZKDFGJCE-SECBINFHSA-N 305.338 1.346 10 10 DDCE CN(C)C(=O)N[C@@H]1CCCN(CCOc2ccc(N)cc2)C1 586070706 OJSOPOXALVTHOQ-CQSZACIVSA-N 306.410 1.383 10 10 DDCE Nc1ccc(-n2nnc(C(=O)Nc3cccnc3Cl)n2)cc1 1857878544 GOZXMNVTXZFION-UHFFFAOYSA-N 315.724 1.545 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)c(Cl)c1 2144167067 NMMYYYMHKSPWJP-DLOVCJGASA-N 314.838 1.841 10 10 DDCE C[C@H](c1ccc(F)cc1O)N(C)C[C@@H]1CCS(=O)(=O)C1 2148786122 CWBXEZZWQDKUOA-MNOVXSKESA-N 301.383 1.959 10 10 DDCE C[C@@H](c1ccc(F)cc1O)N(C)CCS(=O)(=O)N(C)C 2151046951 JQXBOGVUQDSWGY-JTQLQIEISA-N 304.387 1.416 10 10 DDCE COC(=O)CCS(=O)(=O)N(C)[C@@H](C)c1ccccc1O 49063240 BJDVIWPQIBWXEQ-JTQLQIEISA-N 301.364 1.278 10 10 DDCE O=C(O)C1[C@@H]2CN(Cc3cc(Br)ccc3O)C[C@@H]12 2027114348 LPDMMANZSAMHEM-NXEZZACHSA-N 312.163 1.917 10 10 DDCE C[C@H]1CN(c2ccc([C@H](C)N)c(Br)c2)CC(=O)N1 387112182 HEHVKVYYDSLWMX-IUCAKERBSA-N 312.211 1.794 10 10 DDCE O=C1Nc2cc(N3C[C@@H](O)C[C@@H](F)C3)c(Cl)cc2[C@H]1O 2234660053 MANZXRBXRGJNBJ-KEHGIVTQSA-N 300.717 1.235 10 10 DDCE C[C@@H](N)c1ccc(N2CC(O)(CCO)C2)cc1Br 2258282233 NSXREPWIBZZFKH-SECBINFHSA-N 315.211 1.402 10 10 DDCE CS(=O)(=O)C1CC(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1 2285384486 UORCBKANJAPOSZ-YVNMAJEFSA-N 300.384 1.501 10 10 DDCE COc1cc(OC)c(N2CC[C@@H](O)[C@H](CO)C2)cc1Cl 2285911997 SWVGLLIECBOCCZ-JOYOIKCWSA-N 301.770 1.537 10 10 DDCE CN(C)S(=O)(=O)CCCNCc1ccc(Cl)cc1O 2341874795 YCKFGDCCWFENHP-UHFFFAOYSA-N 306.815 1.417 10 10 DDCE CC[C@@H](C)N/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 103764899 OGAKDKXSGLVRCZ-VSXLWIIGSA-N 301.346 1.537 10 10 DDCE CCOCCN1CCN(Cc2cc3c(cc2O)OCO3)C[C@@H]1C 117320623 GRAZFFDVZSLNAV-ZDUSSCGKSA-N 322.405 1.664 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)CN 1951358445 ZBPMHDNTQBXWFD-JTQLQIEISA-N 310.350 1.061 10 10 DDCE CCN1CCC[C@H]1CNC(=O)NCc1cccc(OC)c1O 175392707 DPEDAKFUSNSWKO-ZDUSSCGKSA-N 307.394 1.684 10 10 DDCE Cn1ncnc1CNC(=O)NCc1c(O)ccc2c1CCCC2 76793770 DJSQXOMADUJRPN-UHFFFAOYSA-N 315.377 1.399 10 10 DDCE C[C@H](CCO)NC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 127236383 SYBBUVVZTPICDA-LLVKDONJSA-N 323.348 1.963 10 10 DDCE CNC(=O)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 185674723 GKGBQXREZQTUQF-UHFFFAOYSA-N 303.406 1.675 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NCc1cc2c(cc1O)OCO2 227561921 SCYTURGSOCZNCC-MNOVXSKESA-N 322.361 1.876 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)CCN(C)C)c([N+](=O)[O-])c1 255514227 NEMFBOITUJKMPR-VURMDHGXSA-N 307.350 1.779 10 10 DDCE CN1CC2(CN(Cc3cc(Cl)cc(F)c3O)C2)OC1=O 817415874 GWAYEWPVWQNSSH-UHFFFAOYSA-N 300.717 1.821 10 10 DDCE COc1ccc(O)c(CNC(=O)C[C@H]2CCOC[C@H]2OC)c1 825838647 DNWCGCSYNOHYKL-IAQYHMDHSA-N 309.362 1.459 10 10 DDCE COC(=O)N(C)CCN(C)Cc1ccc(N2CCOCC2)cc1 827335747 XUFDAIAKWJUWRB-UHFFFAOYSA-N 321.421 1.653 10 10 DDCE Cc1cccc(CN2CCN([C@H]3CCNC(=O)CC3)CC2)c1O 825148018 OVGVPPQROMLEIR-MRXNPFEDSA-N 317.433 1.487 10 10 DDCE C/C=C\[C@H](O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 900901993 QIBWZZJKXIJLAB-YPQKKHBXSA-N 322.380 1.340 10 10 DDCE COCCN(C/C=C\c1ccc(N(C)C)cc1)[C@@H](C)C(N)=O 835024974 BFLPPFLAQQKZKD-GXMNPTEKSA-N 305.422 1.588 10 10 DDCE CN(C)Cc1cc(C[C@H](N)CNC(=O)OC(C)(C)C)ccc1O 1952621002 OVAGQPVSOVJSCX-AWEZNQCLSA-N 323.437 1.848 10 10 DDCE CN(C)c1ccc(S(=O)(=O)NCCc2ccc(N)cc2)cc1 842823466 WCZLCBPYFDITRX-UHFFFAOYSA-N 319.430 1.856 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@]1(O)CCOC1 845451427 YYMMRJUIDKNVTA-KRWDZBQOSA-N 321.421 1.436 10 10 DDCE COC(=O)[C@H]1CCN[C@H]1c1c(O)cccc1Br 1952880260 FOJMLEVQVDPGFO-WRWORJQWSA-N 300.152 1.978 10 10 DDCE CC(C)(C)OC(=O)N1CC(=O)N[C@H](c2c(N)cccc2O)C1 1953065298 WHRLIFVJDFONSK-JTQLQIEISA-N 307.350 1.382 10 10 DDCE Cc1ccc(O)c([C@H](C)NCC[C@@H]2CNCCS2(=O)=O)c1 925801447 WYDWXWCVDDKJBA-QWHCGFSZSA-N 312.435 1.128 10 10 DDCE COc1ccc(CNC(=O)NCC[C@@H]2CC(=O)N(C)C2)c(O)c1 924750450 OYUUDZLALHKFEU-LLVKDONJSA-N 321.377 1.068 10 10 DDCE CC1(C)C[C@H](S(=O)(=O)NCc2c(O)cccc2F)CO1 921451734 VETVRLGWOOODQA-VIFPVBQESA-N 303.355 1.518 10 10 DDCE C[C@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1O 858489215 WMNMVPARMOWPEH-STQMWFEESA-N 324.388 1.759 10 10 DDCE COC[C@H](NC(=O)c1ccc(C)c(O)c1O)[C@H]1CCCOC1 924683533 AFWASZXLYLRLRZ-AAEUAGOBSA-N 309.362 1.578 10 10 DDCE CC(C)(C)OC(=O)C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1 859601381 UBJOTWMODWSOBR-FNORWQNLSA-N 322.313 1.565 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)/C=C\[C@@H]3CCOC3)C2)cc1 855223123 FCMZTYUXMVGXEM-LJDVBIGZSA-N 316.401 1.983 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(N2CCOCC2)CC1 867302936 XKZDKISXHOCWIP-LBPRGKRZSA-N 320.389 1.010 10 10 DDCE COc1cccc(CNC(=O)c2nc([C@H]3C[C@@H]3C)no2)c1O 865925532 LZPOFHLGAOUUTN-WPRPVWTQSA-N 303.318 1.837 10 10 DDCE COc1ccc(O)c(CNC(=O)COc2ccc(O)cc2)c1 761729163 XXZOWGWEACIRKK-UHFFFAOYSA-N 303.314 1.802 10 10 DDCE COC(=O)[C@@H](CF)NCc1cc(Br)cc(F)c1O 894782059 VGGFHLLENWJTKV-SECBINFHSA-N 324.121 1.895 10 10 DDCE C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[S@](=O)C1 1138238820 IOGMTRHHWXAGCR-MGUXCZDKSA-N 322.390 1.690 10 10 DDCE Cn1nnc(C(=O)N(Cc2ccco2)Cc2ccccc2O)n1 1149857507 LVUIPBBRCOTTGY-UHFFFAOYSA-N 313.317 1.351 10 10 DDCE CC[C@@H](O)Cn1cc(C(=O)NCc2cc(Cl)ccc2O)nn1 1146230961 AYNDRVOZVQWGMH-LLVKDONJSA-N 324.768 1.338 10 10 DDCE CN(C)C[C@H](CO)NCc1c(O)cccc1Br 716668543 ADCKKMCPKHSSLK-SECBINFHSA-N 303.200 1.167 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CCC(n2ccnn2)CC1 1161026875 FHLYXOLJIISCEX-UHFFFAOYSA-N 306.297 1.306 10 10 DDCE Cc1ccccc1-n1cc(C(=O)NCc2ccc(O)c(O)c2)nn1 1294871471 QYJSIRFRPSRGBQ-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE O=C(NCc1cc(O)ccc1O)C1CN(C2CCCCC2)C1 1455354547 OSQGZEHLHSBWLG-UHFFFAOYSA-N 304.390 1.979 10 10 DDCE Cc1ccccc1[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1546096512 MLYBLGUCNJNUMA-AWEZNQCLSA-N 301.342 1.799 10 10 DDCE COc1cccc(CNC(=O)[C@H](C)[C@H](C)S(C)(=O)=O)c1O 1545681927 JDCILDRBGMWPAR-ZJUUUORDSA-N 315.391 1.086 10 10 DDCE Nc1ncc(C(=O)NCc2cccc(Cl)c2O)cc1[N+](=O)[O-] 1637232362 QWMFITHYOAHXEE-UHFFFAOYSA-N 322.708 1.861 10 10 DDCE C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1nc[nH]n1 1636587310 KJJVDHDUDHTFFU-LURJTMIESA-N 304.331 1.922 10 10 DDCE COc1cc(N2CCC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC 1639580477 NCGSUUKTAYCTOZ-JTQLQIEISA-N 323.349 1.704 10 10 DDCE CC(C)(C(=O)NCc1cc(O)ccc1O)S(=O)(=O)C1CC1 1643881716 BXJDXYRBWAOIKZ-UHFFFAOYSA-N 313.375 1.070 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1COCO1 1684766436 UDQWIZNGVLLKNS-INIZCTEOSA-N 319.405 1.801 10 10 DDCE CCOCCN1CCN(C(=O)Cc2ccc(N)cc2)C[C@@H]1C 168036792 DDPQMVSALJMOQQ-AWEZNQCLSA-N 305.422 1.381 10 10 DDCE C[C@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(N2CCOCC2)cc1 152336848 ZJDPMJQSAXXQGF-GOEBONIOSA-N 317.433 1.795 10 10 DDCE CC(C)S(=O)(=O)CCOC(=O)COc1ccc(N)cc1 232819154 XIDMYKXXTUENON-UHFFFAOYSA-N 301.364 1.014 10 10 DDCE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1[C@H](N)c1ccccc1O 1936974445 NUVLMOUGAOAGGJ-DZGCQCFKSA-N 321.421 1.943 10 10 DDCE Cc1c(OCCO)c(=O)ccn1CCCOc1ccc(N)cc1 1857919643 QMDMVHHWZDVBBG-UHFFFAOYSA-N 318.373 1.579 10 10 DDCE C[C@H](c1ccc(F)cc1O)N1CC[C@@H](CS(C)(=O)=O)C1 2143699901 IDGXJQIOCCADCG-GHMZBOCLSA-N 301.383 1.959 10 10 DDCE NCc1ccc(N2CC=C[C@@H](O)C2)c(F)c1Br 2000828548 OSUJEJYBAIQYMD-SECBINFHSA-N 301.159 1.784 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@H]1CCN2CCOC[C@@H]12 2065141036 SWPLUBRFAYPWHQ-HOTGVXAUSA-N 318.417 1.852 10 10 DDCE CN(C[C@H]1C[C@H]1F)S(=O)(=O)CCOc1ccc(N)cc1 2188329298 HYHFUIQFJRLWLG-ZWNOBZJWSA-N 302.371 1.267 10 10 DDCE C[C@H](N)c1cc(F)c(N(C)[C@@H](C)CS(C)(=O)=O)c(F)c1 2194703169 RVTZEOHHHDJSCG-IUCAKERBSA-N 306.378 1.854 10 10 DDCE CCc1cccc(CNCCS(=O)(=O)C(F)(F)F)c1O 2232496167 YQYXWNJWZXNGJY-UHFFFAOYSA-N 311.325 1.979 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1F)C1CC2(C1)OCCO2 2252836869 HSUUYZKPXAHAEL-UHFFFAOYSA-N 303.311 1.179 10 10 DDCE CC[C@@H](C)N1C(=O)C[C@H](NCc2cnc(SC)s2)C1=O 2284696258 BFMJMUPJUXLOEF-SCZZXKLOSA-N 313.448 1.881 10 10 DDCE COC(C)(C)C[C@@H](N)C(=O)NCc1cnc(SC)s1 2269090780 QCOFMJSMYBKUIL-SECBINFHSA-N 303.453 1.624 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)C[C@H]3OCC[C@H]32)s1 2345034892 BESBLLSQVCGLQQ-KBVBSXBZSA-N 300.405 1.587 10 10 DDCE COCCN1CCC[C@H]1CNC(=O)c1ccc(C)c(O)c1O 177681323 VAXQFWMGOXNOHA-LBPRGKRZSA-N 308.378 1.247 10 10 DDCE CCN(Cc1ccc(N)cc1)c1ccc(S(N)(=O)=O)cn1 37671633 NWBWTCSQNXLRHG-UHFFFAOYSA-N 306.391 1.338 10 10 DDCE CC(=O)N(C(=O)Nc1cc(O)c(O)c(O)c1)c1cccc(N)c1 217278836 MZCNGZZBYWCTFM-UHFFFAOYSA-N 317.301 1.971 10 10 DDCE CSc1ncc(CNCC2CCN(C3CNC3)CC2)s1 2365070170 IBUKNPHBCVOXNH-UHFFFAOYSA-N 312.508 1.638 10 10 DDCE CN(C)c1ccc(CNc2nccc(OCC(=O)O)n2)cc1 73706265 YYCWGUBOLKUOIU-UHFFFAOYSA-N 302.334 1.618 10 10 DDCE Cc1cc(N(C)C)ccc1CNS(=O)(=O)[C@@H]1CCO[C@H]1C 135680519 ATSSXILJIUCXNM-SWLSCSKDSA-N 312.435 1.658 10 10 DDCE O=C(O)c1cc(O)ccc1NS(=O)(=O)c1cncc(F)c1 44260867 YMAVMKNVRZIUET-UHFFFAOYSA-N 312.278 1.425 10 10 DDCE C[C@](N)(CC(=O)O)c1cc(I)ccc1O 238495214 YGGOOENEWWJFJZ-JTQLQIEISA-N 321.114 1.645 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 808518881 QFLACNJUVFNEEG-UHFFFAOYSA-N 318.241 1.164 10 10 DDCE CNC(=O)[C@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 817774671 KGTCBUNSRFKFNR-LBPRGKRZSA-N 322.384 1.169 10 10 DDCE COc1ccc(N2CCCN(C(=O)[C@@H]3CCN(C)C3)CC2)cc1 729525060 DZTGCRAVDVLPHI-OAHLLOKOSA-N 317.433 1.686 10 10 DDCE COc1ncc(/C=C\C(=O)N(C)c2cccnc2OC)cn1 492652257 PRHAAKSVJALWNQ-SREVYHEPSA-N 300.318 1.565 10 10 DDCE COc1cccc(CNC(=O)c2cnc3n2CCOC3)c1O 830539884 AUJVMWZHCHDZLC-UHFFFAOYSA-N 303.318 1.058 10 10 DDCE C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1cc(Cl)ccc1O 843428568 KSOFEXYPDGGIBU-LLVKDONJSA-N 311.813 1.597 10 10 DDCE Nc1ccc(CCNC(=O)N2CC[C@@H]3CNC[C@@H]3CC2)cc1 841955706 KVTUNBVLLSLWJL-GASCZTMLSA-N 302.422 1.452 10 10 DDCE CC(C)CNC(=O)NC(=O)CN1CCCc2cc(CN)ccc21 843349499 BJUGPPMMZUPVJH-UHFFFAOYSA-N 318.421 1.380 10 10 DDCE O[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)C12CCC2 850388389 MCYOEKFANCGGDU-SJORKVTESA-N 302.418 1.916 10 10 DDCE CCON(CC)C(=O)CNC(=O)NCc1c(O)cccc1F 923400965 GUOPBHOKBHIUBG-UHFFFAOYSA-N 313.329 1.131 10 10 DDCE CCOc1ccc(N2CCN(c3nnnn3CC)CC2)cc1 1332943200 BIASSGFYTLBBTJ-UHFFFAOYSA-N 302.382 1.418 10 10 DDCE CO[C@@H](CNC(=O)N(C)Cc1ccccc1O)[C@@H]1CCOC1 854276050 IYKYFEJQKLRXEL-HIFRSBDPSA-N 308.378 1.585 10 10 DDCE CCN(C)c1ccc([C@@H](C)NC[C@@H](O)CS(C)(=O)=O)cc1 927032143 PUZBZBDXORNXTD-IUODEOHRSA-N 314.451 1.199 10 10 DDCE CN1CCN(c2ccc(CN)c(Br)c2)[C@@H](CO)C1 699480081 VNURLSJNBBHPOK-GFCCVEGCSA-N 314.227 1.021 10 10 DDCE COCCc1cc(NC(=O)N2Cc3cccc(O)c3C2)n(C)n1 930436449 DOKFGAMUFWQLIV-UHFFFAOYSA-N 316.361 1.862 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCC[C@@H](N)C3)C2)cc1 870951473 BJOVIGQYVGNIAS-RBSFLKMASA-N 317.433 1.908 10 10 DDCE COc1ccc(N2CCO[C@@H](CN)C2)cc1Br 84724333 GYJGDDGMOCKZRM-JTQLQIEISA-N 301.184 1.622 10 10 DDCE CSCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 894596988 GEYNYKLRZABIEG-UHFFFAOYSA-N 321.446 1.368 10 10 DDCE C[C@H]1C[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 1322189564 IIBJWQKGLSHIHC-DZGCQCFKSA-N 315.417 1.675 10 10 DDCE CN1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CCC1=O 1330045534 LVNCEHSLJMRVOY-UHFFFAOYSA-N 322.384 1.265 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1611431449 NOEPVETVFPZYDL-JLLWLGSASA-N 306.362 1.047 10 10 DDCE Cc1ccc(C)n1-c1ccc(C(=O)NC2=NCC(=O)N2C)cc1 1634187068 RXHMHBFNYFTGTA-UHFFFAOYSA-N 310.357 1.652 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1COc2ccccc2[C@@H]1O 1641876153 WACRGFYAWREJSM-PXAZEXFGSA-N 315.325 1.251 10 10 DDCE COCCOc1cncc(C(=O)NCc2c(O)cccc2O)c1 1652625529 HEDYNGZJGTWWGI-UHFFFAOYSA-N 318.329 1.448 10 10 DDCE CCOc1cc(CN2CCC(O)CC2)ccc1N1CCNCC1 212642359 UGYIAIKXAVRLTL-UHFFFAOYSA-N 319.449 1.452 10 10 DDCE OCc1ccc(N2CC[C@@H](O)[C@@H](F)C2)cc1Br 1941015044 FNWQPYHNMWVLFZ-NWDGAFQWSA-N 304.159 1.851 10 10 DDCE Oc1c(F)cc(Br)cc1CN1CCNNCC1 1946764139 ODQSDXZYKBLBQG-UHFFFAOYSA-N 304.163 1.204 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@@H](C)CCS(C)(=O)=O)cc1O 2160762446 HMGONCSZEHFKRT-QWRGUYRKSA-N 300.424 1.671 10 10 DDCE CCOc1cccc(CN(C)CCCS(C)(=O)=O)c1O 93709156 NRVKGQJIVUYVEP-UHFFFAOYSA-N 301.408 1.657 10 10 DDCE COCCOC1CN(c2ccc(CN)cc2Br)C1 707655358 AAFNOZLRSSDQDT-UHFFFAOYSA-N 315.211 1.759 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H](C)C[C@H]3CCOC3)c2n1 2062191852 LIIPWOLPKUACGF-MWLCHTKSSA-N 304.350 1.288 10 10 DDCE C[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)OC(C)(C)C 2192194437 QKHXUUUFGSYBLJ-NSHDSACASA-N 300.424 1.892 10 10 DDCE COc1ccc(O)c(CN=c2[nH]ccnc2Br)c1 2057935925 UCGFUBMOYBDLPW-UHFFFAOYSA-N 310.151 1.987 10 10 DDCE C[C@@H]1C[C@]1(F)CNS(=O)(=O)CCOc1ccc(N)cc1 2206308861 YBEUUGQNIKSAAA-MFKMUULPSA-N 302.371 1.315 10 10 DDCE COC1(CSc2ncc(C(=N)NO)s2)CCOCC1 2278776620 LDKDTPYQFZDHNF-UHFFFAOYSA-N 303.409 1.735 10 10 DDCE Cc1ccc(N2C(=O)C(=CNC3CC3)C(=O)NC2=S)c(C)c1 2296280431 JHQHVLWRZXVWIT-UHFFFAOYSA-N 315.398 1.687 10 10 DDCE CNC(=O)CCN1C(=O)C(=Cc2ccc(O)cc2)SC1=S 2297500869 OWMBONZTEWFYMB-UHFFFAOYSA-N 322.411 1.730 10 10 DDCE C[C@H](O)c1ccc(N2CC([C@H](O)CO)C2)cc1Br 2315276445 OPBWMSSFLKLJSJ-ISVAXAHUSA-N 316.195 1.292 10 10 DDCE Cc1ccc(CNC(=O)C2(F)CNC2)c(O)c1Br 2327597092 SBDVRFYBEWQBHY-UHFFFAOYSA-N 317.158 1.391 10 10 DDCE COC(=O)[C@H]1C[C@H]1C(=O)NCCCSc1nccs1 114374186 LIFGZDDFORVQBJ-BDAKNGLRSA-N 300.405 1.551 10 10 DDCE CN(Cc1ccc(N)cc1)C1=NS(=O)(=O)c2ccccc21 37672673 ISOVMEVPROOFRS-UHFFFAOYSA-N 301.371 1.850 10 10 DDCE CCOc1ccc(O)c(CN2CC[C@H](N3CCOCC3)C2)c1 121069301 CFGSFNYZHKYLAE-HNNXBMFYSA-N 306.406 1.697 10 10 DDCE COc1cccc(CNC(=O)c2nc(C)c(C)[nH]c2=O)c1O 131477682 IUGDETFWYYTRLS-UHFFFAOYSA-N 303.318 1.031 10 10 DDCE C[C@H](N)c1ccc(N2CCNC(=O)CC2)cc1Br 235510866 CLOWHXHQVADHMD-VIFPVBQESA-N 312.211 1.795 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCCOC1 264386201 MHYKSUTYFNVGKB-OAHLLOKOSA-N 319.405 1.501 10 10 DDCE C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cn[nH]c1 275178666 MPKURALSBWZFDB-GFCCVEGCSA-N 301.394 1.443 10 10 DDCE CC(=O)C(=O)COC(=O)CCC(C)(C)NC(=O)OC(C)(C)C 808520148 LKKJTEXXLPVREZ-UHFFFAOYSA-N 315.366 1.771 10 10 DDCE COc1ccc(N2CCN(C(=O)CN3C[C@@H](C)[C@H]3C)CC2)cc1 293196545 XKVFBUFYPNKFKG-HUUCEWRRSA-N 317.433 1.684 10 10 DDCE NC(=O)[C@@H]1CCC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 588407208 OURZOTGIVXPBRM-OXTPZFROSA-N 304.346 1.271 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](N2CCC2)[C@H](F)C1 834592330 LYOGPCCTCZTJEX-JRFBKZHLSA-N 320.364 1.756 10 10 DDCE CCO[C@H]1COCC[C@H]1CC(=O)NCc1ccc(O)cc1O 910957052 OLEYVXOWJHCPEU-NHYWBVRUSA-N 309.362 1.546 10 10 DDCE Cc1cc(O)c(CNCC(=O)N2CCN(C)CC2)c(Cl)c1 840887108 DMSSNQMPBVACRC-UHFFFAOYSA-N 311.813 1.218 10 10 DDCE CN1C(=O)CN(C(=O)OC(C)(C)C)C[C@H]1c1cc(N)ccc1O 1952964449 NGISPFWUENZMNP-LBPRGKRZSA-N 321.377 1.725 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CCNC3CC3)C2)cc1 851639758 LEMQJRGXOLGOTK-CQSZACIVSA-N 303.406 1.532 10 10 DDCE c1cc(N2CCOCC2)ccc1CN[C@@H]1CN2CCC[C@H]1C2 924751398 KNNAPJOMFOBQJQ-FUHWJXTLSA-N 301.434 1.707 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCc3cc[nH]n3)C2)cc1 852183481 PIXMWHUVXMVNPP-CYBMUJFWSA-N 315.377 1.496 10 10 DDCE COC[C@@]1(C)CN(Cc2cc(OC)c(OC)cc2O)CCO1 862550961 HZGYYLDRTWXJGP-MRXNPFEDSA-N 311.378 1.647 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)NC[C@@H]2CC[C@H]3C[C@@H]3C2)cc1 861777154 QHVBWJNECMKNPQ-ILXRZTDVSA-N 315.417 1.480 10 10 DDCE CN1CCO[C@H](CNCc2cc(Br)ccc2O)C1 105471207 DAQADDIQPKBPTR-GFCCVEGCSA-N 315.211 1.575 10 10 DDCE O=C(NC[C@@H]1CCCNC1=O)c1cc2cc(O)c(O)cc2s1 896258651 CHIQIHOUMJUKMV-QMMMGPOBSA-N 320.370 1.569 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)C2CCOCC2)cc1 1137360019 QDAMUUUOPOCIHS-CYBMUJFWSA-N 320.349 1.366 10 10 DDCE COc1ccc(CNC(=O)c2cc3n(n2)CCC[C@@H]3O)c(O)c1 1296968436 NLMODOPOIOPBQQ-AWEZNQCLSA-N 317.345 1.355 10 10 DDCE Cc1ccc(O)c(CNC(=O)Cn2cc(Br)cn2)c1 1633283279 XTYIYGBQYIFZNL-UHFFFAOYSA-N 324.178 1.976 10 10 DDCE COc1cccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)c1O 1566374436 JDBLAGNGWKQZMG-UHFFFAOYSA-N 304.302 1.028 10 10 DDCE Cc1ccc(C(=O)NC2(CC(N)=O)CCCCC2)c(O)c1O 1648521736 JMMRBFRUPFKLGH-UHFFFAOYSA-N 306.362 1.714 10 10 DDCE CC(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cnn(C)c1 1653136996 MWDKRBJCTAGFEL-INIZCTEOSA-N 303.362 1.887 10 10 DDCE CC(=O)c1cc(F)cc(CN2CC[C@H](c3nn[nH]n3)C2)c1O 1659944074 NRSMPCNACLDZML-VIFPVBQESA-N 305.313 1.237 10 10 DDCE O=C(NCCCNc1ncccn1)c1c(F)ccc(O)c1O 1654270083 DYMCTJLQAHTBLM-UHFFFAOYSA-N 306.297 1.259 10 10 DDCE OC[C@@H]1CO[C@@H](CNCc2ccc(Br)cc2O)C1 1967895178 KTUSUHOXYJXHPR-BXKDBHETSA-N 316.195 1.642 10 10 DDCE CS(=O)(=O)C[C@H]1C[C@@H](NCc2cc(Cl)ccc2O)C1 1974491484 DNTAOFWPZZDYEP-WVSHTKLVSA-N 303.811 1.958 10 10 DDCE CC(C)(C)OC(=O)NC1[C@H]2CN(Cc3cc(N)ccc3O)C[C@H]12 1978506170 MKHBDAFMUXPIKU-STQMWFEESA-N 319.405 1.929 10 10 DDCE NCc1ccc(N2CC(OCCO)C2)c(F)c1Br 2034844337 YJMPZRHMANUXHV-UHFFFAOYSA-N 319.174 1.244 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2CCS(=O)(=O)[C@@H]2C)c1O 380290516 FEKJGBZJVNZUGJ-KCJUWKMLSA-N 319.810 1.719 10 10 DDCE Oc1cc(Br)ccc1CN1CCO[C@H]2COC[C@H]21 2072497936 VLBBFUBTLNFBRL-YPMHNXCESA-N 314.179 1.754 10 10 DDCE O=C(CN1CCC[C@@H](C2OCCO2)C1)c1ccc(O)c(O)c1 2108846514 XPVIUTGNTRVSOB-GFCCVEGCSA-N 307.346 1.365 10 10 DDCE CC(C)SC1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2097628472 NHQGJOAIKJNBMP-UHFFFAOYSA-N 300.449 1.924 10 10 DDCE COc1ccc(N(C)C(CO)CO)c(OC)c1Br 2219389638 KIUPDFFZIMZMLW-UHFFFAOYSA-N 320.183 1.256 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@@H]2[C@H](O)CO)c(Br)c1 2258332152 MONXRLAYWNBFKK-ZEGGKSINSA-N 316.195 1.434 10 10 DDCE CSc1ncc(CNC(=O)[C@@H](N)COC(C)(C)C)s1 2269090953 SJRRRDCUNACTEE-VIFPVBQESA-N 303.453 1.624 10 10 DDCE CSc1ncc(CN=c2[nH]c(C)ncc2C(N)=S)s1 2269240940 GYDXJWRVYCNRDB-UHFFFAOYSA-N 311.461 1.632 10 10 DDCE CN=c1nc(C(=O)NCc2cnc(SC)s2)cc(C)[nH]1 2284720733 BCBUAAXXVSKWHC-UHFFFAOYSA-N 309.420 1.357 10 10 DDCE CS(=O)(=O)C1CC(C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1 2285309672 YSULCWQTSQLXBS-WHXUTIOJSA-N 300.384 1.359 10 10 DDCE C[C@H](CNC(=O)C=Cc1ccc(O)c(O)c1)Cn1ccnc1 2308001505 OHDLSUVAEITVAI-GFCCVEGCSA-N 301.346 1.760 10 10 DDCE CC(=O)N1CC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 175972693 NPTUMMKQDCUGRT-MRXNPFEDSA-N 315.417 1.771 10 10 DDCE CCc1cc(O)ccc1NS(=O)(=O)c1cccc(C(N)=O)c1 189434576 POQUDEQURJTENO-UHFFFAOYSA-N 320.370 1.854 10 10 DDCE Cc1cc2c(n1-c1cccc(S(N)(=O)=O)c1)CCCC2=O 44315542 XDDDPTNBMNOXDJ-UHFFFAOYSA-N 304.371 1.952 10 10 DDCE CCCN1CCN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)CC1 92749989 LEQGXIFWFZCKRV-CQSZACIVSA-N 308.813 1.824 10 10 DDCE Oc1ccc(I)cc1[C@H]1COCCN1 95783847 PXWUBEMKKXLIHW-SECBINFHSA-N 305.115 1.658 10 10 DDCE COc1cc2c(c(OC)c1OC)[C@@](O)(CNC1CC1)CN2C 527417355 QADIVQRNAZCTDQ-MRXNPFEDSA-N 308.378 1.102 10 10 DDCE COC(=O)/C=C/c1ccc(N2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 368800221 MHDHXUDPFOHDLD-KQIUPUNMSA-N 318.329 1.742 10 10 DDCE CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(C)c(O)c2O)n1 272779040 UVAUIVDVCCXFTL-SECBINFHSA-N 321.333 1.769 10 10 DDCE CCOC(=O)[C@H](F)[C@H](N)c1c([N+](=O)[O-])ccc(Cl)c1O 725424870 MJFRFGVJLUABHN-RKDXNWHRSA-N 306.677 1.855 10 10 DDCE COC[C@@](C)(O)CCNCc1ccc([N+](=O)[O-])c(OC)c1O 824559323 PEJMUERGCXJIMS-AWEZNQCLSA-N 314.338 1.186 10 10 DDCE Cn1cc(CCC(=O)NCc2ccc(N3CCCC3)cc2)nn1 821841713 DTMNLDFEOMTARZ-UHFFFAOYSA-N 313.405 1.664 10 10 DDCE C[C@@H](O)[C@H]1CN(Cc2ccc(Br)cc2O)CCO1 826123092 GITKZHUEMOHKOX-NOZJJQNGSA-N 316.195 1.736 10 10 DDCE CN1CCCC[C@H]1CN1CCN(C(=O)c2cc(O)cs2)CC1 732290358 VATHRGCJTBGBDU-ZDUSSCGKSA-N 323.462 1.696 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C)[C@](C)(CN)C2)c1O 841089858 AZYTVPNUOPUQOL-MEBBXXQBSA-N 309.366 1.726 10 10 DDCE C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)NC(N)=O 847339280 RTYNTNZADQISSN-LBPRGKRZSA-N 304.394 1.350 10 10 DDCE CN(C)c1ccc(CNC(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1 913926368 AOZQKSCODDDTED-KBMXLJTQSA-N 319.405 1.356 10 10 DDCE NC/C=C/CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 841997642 SWOAZFDAHILFOF-NHZBNJEXSA-N 319.405 1.598 10 10 DDCE C[C@H]1CCNC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 841761980 SPZINKHSVOEQKD-FZMZJTMJSA-N 308.401 1.689 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)NC(N)=O 847398459 BBAXCWUOVRHWCC-GFCCVEGCSA-N 306.410 1.548 10 10 DDCE CCOC(=O)C(C)(C)NCc1ccc(N2CCOCC2)cc1 929499878 NMWDFHWCQMZEFZ-UHFFFAOYSA-N 306.406 1.955 10 10 DDCE N[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[C@H]1F 853248285 QVKFMAYKLRGPMV-UKRRQHHQSA-N 311.376 1.533 10 10 DDCE NC(=O)CC1CC(NCc2ccc(N3CCOCC3)c(F)c2)C1 922514007 NFSKJLWTSPXNJX-UHFFFAOYSA-N 321.396 1.406 10 10 DDCE O=C(CS(=O)(=O)C1CCCC1)NCc1c(O)cccc1F 928712091 ONFLJWUPKIHLPG-UHFFFAOYSA-N 315.366 1.505 10 10 DDCE Cc1ccc(C)n1-c1ccc(C(=O)N2CC(O)(CO)C2)cc1 854672755 NGLUKWTTYBJXLX-UHFFFAOYSA-N 300.358 1.273 10 10 DDCE CN1CCN(c2ccc(CNCC[C@H](O)C(F)F)cc2)CC1 865687676 KHPMRJDTNFVKCG-HNNXBMFYSA-N 313.392 1.544 10 10 DDCE CN(C)c1ccc(CNS(=O)(=O)c2ccccc2N)cc1F 767750795 NAPVVZXLQIUMQC-UHFFFAOYSA-N 323.393 1.952 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@H](O)CC(=O)OCC 774043730 MWAVULOXGMCOBQ-CQSZACIVSA-N 309.362 1.445 10 10 DDCE CNC(=O)CC[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 1449099585 DYDZEFLSBPSZRI-ZDUSSCGKSA-N 320.389 1.548 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCn3ncnc32)c1 1294937376 OKMQVEZWYIBKQX-CMPLNLGQSA-N 316.361 1.747 10 10 DDCE O=C(NCc1c(O)cccc1O)c1snc(O)c1Cl 1639292915 VNAXSLXOVGSXQS-UHFFFAOYSA-N 300.723 1.843 10 10 DDCE C[C@]1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC(=O)N1 1637478810 ZTGKNZQUOJWSEV-CQSZACIVSA-N 303.322 1.248 10 10 DDCE O=C(O)C1(CO)CN(Cc2cc(Cl)cc(Cl)c2O)C1 2136360509 UXUSLJSTDWHDLH-UHFFFAOYSA-N 306.145 1.578 10 10 DDCE COc1cccc(CNC(=O)C[C@@H](C)c2cnn(C)c2)c1O 1631539930 GVGVSIYFDOYNOB-LLVKDONJSA-N 303.362 1.944 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1 1570028949 LDXREDSOUQNAIW-LLVKDONJSA-N 312.333 1.859 10 10 DDCE O=C(NCc1c(O)cccc1F)c1n[nH]cc1Br 1646035555 YRYMZHZVRKUWSU-UHFFFAOYSA-N 314.114 1.947 10 10 DDCE O=C(Cc1nc(C2CC2)n[nH]1)NCCCSc1nccs1 1585228824 YIMFDNDRCLSGIQ-UHFFFAOYSA-N 323.447 1.980 10 10 DDCE CCOc1cccc(CN2CC[C@H](N3CCOCC3)C2)c1O 156015487 PXXODDPQYPSQFW-HNNXBMFYSA-N 306.406 1.697 10 10 DDCE COC(=O)Cn1ncc(Nc2ccc(N)cc2)c(Cl)c1=O 159312811 HKFOYCZLBCHZDB-UHFFFAOYSA-N 308.725 1.396 10 10 DDCE NC[C@H]1COCCN1Cc1c(O)cccc1Br 1947625984 IXCKTDOVSVGIFG-VIFPVBQESA-N 301.184 1.314 10 10 DDCE Cc1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1O 1985829962 WKXXCHMYUJMVBJ-UONOGXRCSA-N 322.405 1.770 10 10 DDCE CC(C)[C@@H](C(=O)NCc1c(O)cc(O)cc1O)N1CCCCC1 2064402924 WNAQKQYZLGHMHJ-INIZCTEOSA-N 322.405 1.930 10 10 DDCE NCc1ccc(N2CC([C@H](F)CO)C2)c(F)c1Br 2048034688 AHYOEWLVIKBGAT-SECBINFHSA-N 321.165 1.814 10 10 DDCE CCn1nnnc1CNCc1ccc(Br)cc1O 2050239617 ZYPTZKCPPZJBIH-UHFFFAOYSA-N 312.171 1.451 10 10 DDCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)c1ccncc1Br 2056526176 MPYHWVZMWKTEOX-JTQLQIEISA-N 313.159 1.445 10 10 DDCE CO[C@@H]1CN(c2ccc(CO)c(Cl)c2)[C@@H](CO)[C@H]1OC 2233349717 AOHMGESHNALHBK-BFHYXJOUSA-N 301.770 1.043 10 10 DDCE CNC1CC(S(=O)(=O)NCc2cnc(SC)s2)C1 2257136634 SRBPOEGPDQSCQB-UHFFFAOYSA-N 307.466 1.035 10 10 DDCE CCNCCN(C)Cc1cc(Br)c(O)cc1O 2248032499 MCENXSXHJVBVBF-UHFFFAOYSA-N 303.200 1.902 10 10 DDCE CO[C@H]1[C@@H](NCc2cc(Br)ccc2O)C[C@H]1O 2249809914 KKSLNWBPHXMACR-WCQGTBRESA-N 302.168 1.393 10 10 DDCE CN(C)c1cc(CNC(=O)C=Cc2ccc(O)c(O)c2)ccn1 2307986365 QMSFSUMUOBVGSZ-UHFFFAOYSA-N 313.357 1.888 10 10 DDCE CC(C)N1C[C@@H](C)[C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)C1 2308002248 MKZFDDIBRVEDIL-OCCSQVGLSA-N 304.390 1.956 10 10 DDCE COCCOCCC(=O)N1CCN(c2ccc(OC)cc2)CC1 63257846 BCAWDTGBCHNBTI-UHFFFAOYSA-N 322.405 1.397 10 10 DDCE C[C@H]1OCC[C@H]1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 184300338 NCGUFMDNWVBDIL-IUODEOHRSA-N 312.435 1.692 10 10 DDCE CC[C@@H]1CN(C(=O)c2cccc(O)c2O)CCN1C[C@H](C)O 248734741 KKGGDLIBISGYMY-NWDGAFQWSA-N 308.378 1.015 10 10 DDCE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc2c(cc1O)OCO2 276082239 BNBLQHHRIXARKA-IETSOEAISA-N 319.357 1.894 10 10 DDCE COC[C@]1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCOC1 825510508 ABZSGTGNXKUTKA-MRXNPFEDSA-N 310.369 1.561 10 10 DDCE Cc1c(C[C@@H](CN)CN(C)c2ccc3c(c2)OCO3)cnn1C 903902561 JONWYNBMBBZOOZ-ZDUSSCGKSA-N 316.405 1.711 10 10 DDCE C[C@H](CN1CCOCC1)NC(=O)NCc1c(O)cccc1F 914083036 NORMICBNURTHTJ-LLVKDONJSA-N 311.357 1.051 10 10 DDCE CN1CCCc2cc(CNC(=O)N[C@H]3C[C@@H](C(N)=O)C3)ccc21 844935585 TXJCTUFITMLALN-OKILXGFUSA-N 316.405 1.132 10 10 DDCE CS(=O)(=O)C1(C(=O)NCc2c(O)cccc2F)CCCC1 928711662 KYOFFCLBPJFYLZ-UHFFFAOYSA-N 315.366 1.505 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@H]1CCCN1c1ncccn1 928708154 AQTTZIBDBQNWSO-CYBMUJFWSA-N 316.336 1.607 10 10 DDCE CO[C@@H]1COCC[C@@H]1N(C)C(=O)/C=C/c1ccc(O)c(O)c1 921927053 CVIJQRGMSTVWOR-XARUKTKKSA-N 307.346 1.373 10 10 DDCE CCNCc1ccc(N(C)[C@@H](C)CS(C)(=O)=O)c(F)c1 688561061 RPKYGMBUOAEYMM-NSHDSACASA-N 302.415 1.805 10 10 DDCE COC/C(C)=C/C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855223357 GSCLMXXEWNPBQM-JWAFFJSPSA-N 304.390 1.983 10 10 DDCE Cc1ccc(C(=O)Nc2cnn(CCN(C)C)c2)c(O)c1O 751536190 WMLTUCIKGMOWOB-UHFFFAOYSA-N 304.350 1.417 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3nccnc3N)C2)cc1 855230019 DNJLBFQUTMDKDV-NSHDSACASA-N 313.361 1.076 10 10 DDCE COc1ccc(N2CCN(c3nccnc3CN)CC2)cc1F 1339609491 HQGUAUZWXVMIKI-UHFFFAOYSA-N 317.368 1.410 10 10 DDCE [N-]=[N+]=NCCNS(=O)(=O)N1CC(OCc2ccccc2)C1 1955780933 SKSJHNXFRLAHMM-UHFFFAOYSA-N 311.367 1.032 10 10 DDCE CN(CCc1ccccc1)CC(=O)NCc1cccc(O)c1O 1123889195 NNBSJJNKBOBEEI-UHFFFAOYSA-N 314.385 1.889 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCOCC1 784890757 XHTRREOPLNHGGB-INIZCTEOSA-N 318.417 1.956 10 10 DDCE CN1CC[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 895818412 PMECPBAFYUIGOR-VIFPVBQESA-N 306.387 1.994 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H](O)C[C@@H]2CO)cc1Br 698114340 KOCMJHXIHCQAGB-JMJZKYOTSA-N 315.211 1.401 10 10 DDCE COc1ccc(CNC(=O)c2c(C)nc(O)nc2S)c(O)c1 1155573907 CMMXRLFVDXDLHM-UHFFFAOYSA-N 321.358 1.424 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1 1167293403 BJPUMWYCTXTCSV-ZDUSSCGKSA-N 324.377 1.202 10 10 DDCE Cc1cc2ncc(C(=O)NCc3cccc(O)c3O)c(C)n2n1 1176564756 FCJWAPRAZZNCSK-UHFFFAOYSA-N 312.329 1.687 10 10 DDCE O=C(Cn1ncc2cccnc21)NCc1c(O)cccc1F 1178413005 KGHZAFYEZDDJHX-UHFFFAOYSA-N 300.293 1.592 10 10 DDCE CN1CCN(c2ccc(CNc3nccn3C)cc2F)CC1 1327375343 LLNIQQSEUVXCNY-UHFFFAOYSA-N 303.385 1.923 10 10 DDCE CN(C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccnn1C 1440303301 UNQFYBFJGOCBBN-GFCCVEGCSA-N 320.393 1.996 10 10 DDCE CC[C@@H]1CN([C@H](CC)C(=O)NCc2cccc(O)c2O)CCO1 1521851381 LRGRXIHTRBEOBM-ZIAGYGMSSA-N 322.405 1.603 10 10 DDCE CN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1=O 1465826440 WOFIHBGSXSOTPI-UHFFFAOYSA-N 317.349 1.542 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](c2ncccn2)C1 1472055601 UAPXLHLJVKSGRW-HSBHDXMMSA-N 311.341 1.917 10 10 DDCE CC(=O)NC[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1704754663 MMNIFKRSBLWHTH-SECBINFHSA-N 305.338 1.351 10 10 DDCE Cc1nnnn1-c1cccc(NC(=O)c2cc(O)cs2)c1 1595709700 NKJNUMAHDAJIRK-UHFFFAOYSA-N 301.331 1.990 10 10 DDCE CN(C)c1cccc(NS(=O)(=O)c2ccc(NN)cc2)c1 161314691 LLBIHFHJTLIRKY-UHFFFAOYSA-N 306.391 1.839 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H](CS(C)(=O)=O)C2)c(F)c1 2143667323 DGLLUDVJVJJLMF-QWRGUYRKSA-N 300.399 1.716 10 10 DDCE NC(=O)N[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 271400245 VNDZXRJCDHPUBC-SNVBAGLBSA-N 314.183 1.397 10 10 DDCE NC(=O)NCCCNCc1ccc(Br)cc1O 2002545085 SBOCPFJVDZGFLZ-UHFFFAOYSA-N 302.172 1.303 10 10 DDCE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(O)c(O)c2)CC1 1982311739 QKKKPNJPFMSAHQ-UHFFFAOYSA-N 322.361 1.791 10 10 DDCE C[C@H]([C@H](N)c1ccccc1O)N1CC(NC(=O)OC(C)(C)C)C1 1987819833 FLYGPOUOVTWJCU-ABAIWWIYSA-N 321.421 1.989 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2C[C@H](F)C2)cc1 2153206575 JUISOIFGAQBDHN-XYPYZODXSA-N 302.371 1.315 10 10 DDCE CC(C)[C@H](C)N(C)S(=O)(=O)CCOc1ccc(N)cc1 70490643 UULGAEOQNIMVCP-LBPRGKRZSA-N 300.424 1.954 10 10 DDCE COc1cc(CC(=O)O)cc(S(=O)(=O)N=[N+]=[N-])c1OC 312561118 HVPBFFKYIWHKBW-UHFFFAOYSA-N 301.280 1.330 10 10 DDCE COc1ccc(N(C)[C@@](C)(CN)[C@H](C)S(C)(=O)=O)cc1 2170647940 HSFQBBOJXZYMBQ-FZMZJTMJSA-N 300.424 1.282 10 10 DDCE CNC(=O)[C@H]1CCCN1Cc1ccc(Br)cc1O 691673825 FAPRMWDSDTVMDL-LLVKDONJSA-N 313.195 1.865 10 10 DDCE CCC[C@@H]1CN(C(=O)c2cnn3c(O)cc(C)nc23)CCO1 2064880653 RGVAMVWLCWGACO-LLVKDONJSA-N 304.350 1.384 10 10 DDCE CCOC1CC2(C1)C[C@@H]2C(=O)NCc1c(O)cc(O)cc1O 2065049517 KGTQNHOQVPIHGV-YZKWQOGNSA-N 307.346 1.625 10 10 DDCE C[C@H](O)c1cc(F)c(N2CCS(=O)(=O)C[C@@H]2C)c(F)c1 2194516230 UGPWQCRDHBPJSW-IUCAKERBSA-N 305.346 1.641 10 10 DDCE O=C1CN(c2ccc(CO)c(Br)c2)[C@H]2CC[C@H]2N1 2049368927 YOUZWJYMRABQDZ-NEPJUHHUSA-N 311.179 1.409 10 10 DDCE C[C@@H](C[C@@H]1CCCS1(=O)=O)NCc1ccc(F)cc1O 2204731488 DQJOOKXDRXWRQS-GWCFXTLKSA-N 301.383 1.977 10 10 DDCE CNC[C@H]1C[C@H](S(=O)(=O)NCc2cnc(SC)s2)C1 2269283015 ZYUUTEZGRQVFBV-CZMCAQCFSA-N 321.493 1.282 10 10 DDCE CSc1ncc(CNC(=O)c2cn(C3CNC3)cn2)s1 2284494166 KIHJKDRFPNVCOO-UHFFFAOYSA-N 309.420 1.136 10 10 DDCE CSc1ncc(CNC(=O)NC[C@]2(C(=O)O)C[C@@H]2C)s1 2284543712 IQMLEYNFOFHLJG-JVXZTZIISA-N 315.420 1.775 10 10 DDCE COc1cc(OC)c(N(CCCO)CCCO)cc1Cl 2285870404 GYVMYQYXOPCEHX-UHFFFAOYSA-N 303.786 1.928 10 10 DDCE COc1cc(OC)c(N(C[C@@H](C)O)C[C@@H](C)O)cc1Cl 2285868802 DQUACFIGDAMELP-NXEZZACHSA-N 303.786 1.925 10 10 DDCE COc1cc(OC)c(N2CCOC[C@@]2(C)CO)cc1Cl 2285908303 DFZFUOFPVLMVBZ-CQSZACIVSA-N 301.770 1.945 10 10 DDCE COc1ccc([C@@H](C)NCC(C)(C)NS(C)(=O)=O)c(O)c1 111771926 YKSQLRCHPZVSRG-SNVBAGLBSA-N 316.423 1.379 10 10 DDCE CC(=O)N(C(=O)C(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccc(N)cc1 170318491 DBXNJTWMSVRSEZ-VXGBXAGGSA-N 317.389 1.653 10 10 DDCE C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCCO1 183090875 FBGQHJNJRRJMCG-YOEHRIQHSA-N 319.449 1.868 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@@H](SC(F)F)C1 2365653365 KDGUXHNUQDINSU-SSDOTTSWSA-N 305.302 1.974 10 10 DDCE COC(=O)/C=C\c1ccc(N(CCO)CC2CC2)c([N+](=O)[O-])c1 98056252 KSLAKDDOZOOQRL-ALCCZGGFSA-N 320.345 1.990 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@H](O)C2)c(Br)c1 235222599 PEEGLKVRHOPHBY-NZXMKCKXSA-N 301.184 1.011 10 10 DDCE CCOCc1cc(CNC[C@H](O)[C@H]2CCCO2)ccc1OC 527759320 SVBMRFVFNKZUGV-DOTOQJQBSA-N 309.406 1.861 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCC2(C)OCCCO2)c1 277384696 XXAAFSXPXBSJFC-NSHDSACASA-N 309.362 1.983 10 10 DDCE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC1=O 373123844 JRAHAJJOPBWEDF-WQMLDVEMSA-N 316.357 1.237 10 10 DDCE C[C@@H]1COCC[C@H]1NCC(=O)NCc1ccc(N(C)C)cc1 277631323 YZVLQKNCIIWVJQ-CZUORRHYSA-N 305.422 1.383 10 10 DDCE CCNC(=O)CC(=O)NCc1cc(Br)ccc1O 804735790 FNWCUWIRQHDOAU-UHFFFAOYSA-N 315.167 1.297 10 10 DDCE CC(C)CCS(=O)(=O)C[C@@H](O)COc1ccc(N)cc1 722442333 VXGMJHAEDAMPIS-ZDUSSCGKSA-N 301.408 1.469 10 10 DDCE O=C1NCC2(CN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)C2)O1 817417510 IIFJJOPYHVZGQP-UHFFFAOYSA-N 313.697 1.248 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCCCCN1CCOCC1 588403305 DQIXODJZILSDMO-XQRVVYSFSA-N 320.389 1.340 10 10 DDCE C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 906385783 SNBBYRIFVVDYPC-YOEHRIQHSA-N 318.417 1.955 10 10 DDCE O=C(N[C@]1(CCO)CCOC1)c1cc2cc(O)c(O)cc2s1 907788506 ZMAOSFGXHXWDSX-OAHLLOKOSA-N 323.370 1.584 10 10 DDCE CNS(=O)(=O)[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 835028423 ITYATPZILYHMLY-DWTRPJMMSA-N 323.462 1.389 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1cc2n(n1)CCCC2 912028931 KBHXZEHJHCUDBH-ALCCZGGFSA-N 313.357 1.960 10 10 DDCE CN1CCN(c2ccc(CN(C3CC3)[C@@H]3CCNC3)cc2)CC1 843055952 SPMIHQCGGSUMBT-LJQANCHMSA-N 314.477 1.765 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCNC[C@](C)(F)C2)cc1 841654814 PWGKVQSQNMJBLN-INIZCTEOSA-N 308.401 1.596 10 10 DDCE CCN(CC)c1ccc(CNC(=O)COC2(C)CNC2)cc1 844172711 HKXXCEPPCCDSBV-UHFFFAOYSA-N 305.422 1.528 10 10 DDCE CN1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccc(N)cc2O)C1=O 1952981728 HDXYCCKQCSDJAX-ZDUSSCGKSA-N 321.377 1.725 10 10 DDCE COCCN1C(=O)C2(CC2)N[C@H]1c1ccc2c(c1)CCCN2C 840837362 REDQODPRFNAHBD-MRXNPFEDSA-N 315.417 1.678 10 10 DDCE Cc1cc(O)cc(=O)n1CCC(=O)N1Cc2cccc(O)c2C1 871204288 XIVVYYUDWGJZLC-UHFFFAOYSA-N 314.341 1.500 10 10 DDCE CN(C)c1ncccc1CNC(=O)c1c(F)ccc(O)c1O 789957804 XKHLEKYLTCOEON-UHFFFAOYSA-N 305.309 1.628 10 10 DDCE NCc1ccc(N2CCC(CO)(CO)C2)c(Br)c1 694683399 WIHSMPQGAVOTBU-UHFFFAOYSA-N 315.211 1.089 10 10 DDCE C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H]1C 1329437019 KQRJHUWGWXDEEJ-NEPJUHHUSA-N 302.374 1.739 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@@]23CCOC3)cc1F 1331582458 KMIDHTASADNAKI-INIZCTEOSA-N 307.369 1.966 10 10 DDCE CC(C)(C)N1CC[C@@](F)(C(=O)NCc2cccc(O)c2O)C1 1348047188 MQQKHLLJLAPWEX-INIZCTEOSA-N 310.369 1.927 10 10 DDCE C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H]1F 1261862778 HVPJNUCNEYNPTF-GXFFZTMASA-N 306.337 1.441 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2cnccn2)cc1C 1266919168 KTVQVSKYLFRXIH-CYBMUJFWSA-N 314.389 1.702 10 10 DDCE CN1C[C@@H]2[C@@H](CC[C@H]2NC(=O)NCc2c(O)cccc2F)C1 1351848486 LLBLMMVBPKVDLH-ZKYQVNSYSA-N 307.369 1.671 10 10 DDCE C[C@@H]1CCCN(S(=O)(=O)N2CCC(CN=[N+]=[N-])CC2)C1 1912178054 JZDRASXCALNASY-LLVKDONJSA-N 301.416 1.985 10 10 DDCE O=C(N[C@@H]1C[C@@H]2CCCC[C@@H]21)C(=O)N1Cc2cccc(O)c2C1 1350522896 AFBMDZFZKRRDKB-CORIIIEPSA-N 314.385 1.929 10 10 DDCE O=C(c1cccnc1OCCO)N1Cc2cccc(O)c2C1 1455043955 TWPJANIHWQBIBW-UHFFFAOYSA-N 300.314 1.314 10 10 DDCE Cc1nn(C)c(C)c1OCC(=O)NCc1cc(O)ccc1O 1455356845 LFCUONAQQXXJSK-UHFFFAOYSA-N 305.334 1.143 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](C1CCOCC1)C1CC1 1469758032 DDQBZFOZTAFJIZ-QGZVFWFLSA-N 305.374 1.962 10 10 DDCE COC(=O)[C@]1(F)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1545383810 ZQCWCIBVIIJFCH-AWEZNQCLSA-N 322.296 1.576 10 10 DDCE COC1CCN(c2ccc(CN3C[C@@H]4[C@@H](CO)[C@@H]4C3)cc2)CC1 1618170941 FSKPOSQXUBOFEW-BWTSREIZSA-N 316.445 1.972 10 10 DDCE COC(=O)c1cnc(SCCC2CS(=O)(=O)C2)s1 1559416368 GSUCLOSIIKLMGB-UHFFFAOYSA-N 307.418 1.457 10 10 DDCE COc1ccc(C(=O)NCc2ccc(O)cc2O)cc1[N+](=O)[O-] 1639441025 GLIJLCMVERMQDL-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H](C1CC1)[C@H](CO)C1CC1 1569427889 SEBTWHBHYLRKLU-CXAGYDPISA-N 305.374 1.554 10 10 DDCE COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)Cc1ccc(O)c(O)c1 1637347800 JYQKGMIQLWAQJM-SJKOYZFVSA-N 321.373 1.878 10 10 DDCE Cn1ncc2c(O)nc(NCc3ccc4cccnc4c3O)nc21 1640051429 LRKXWCZEYZSHHF-UHFFFAOYSA-N 322.328 1.935 10 10 DDCE O=C(COc1ccccc1[N+](=O)[O-])NCc1c(O)cccc1O 1645360753 HMQKFGSCKVMGKY-UHFFFAOYSA-N 318.285 1.701 10 10 DDCE C[C@H](c1cc(Cl)ccc1O)N1CCN(S(C)(=O)=O)CC1 134035674 HKJCMUPGVOMNDD-SNVBAGLBSA-N 318.826 1.684 10 10 DDCE C[C@@H](OCc1ccccc1)[C@H](N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043016 JOCRTVNRQMKVKH-MEWXFMAXSA-N 304.390 1.185 10 10 DDCE O=C1C[C@@H](C(=O)NCc2ccc(O)c(O)c2)c2ccccc2N1 158877760 SLURQTSXAPYAKQ-GFCCVEGCSA-N 312.325 1.840 10 10 DDCE CCNC(=O)c1c(NS(C)(=O)=O)sc2c1CCCC2 1871343491 OSPXLMOMHPNGIC-UHFFFAOYSA-N 302.421 1.748 10 10 DDCE Oc1c(F)cc(Br)cc1CN1CCN[C@@H]2C[C@H]21 1946762527 SJZXPNWYADKRJA-GHMZBOCLSA-N 301.159 1.840 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCN(Cc2c(O)cccc2F)C1 1964598759 BFVIJWPFWRHDRA-LLVKDONJSA-N 301.383 1.788 10 10 DDCE O=S(=O)(Nc1ccc(O)c(F)c1)N1CCCC[C@@H]1CO 2157760120 RFZWNIPZSJSLCK-SNVBAGLBSA-N 304.343 1.035 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@@H](CCF)C3)c2n1 2062026088 WCIPVIABIQDLQB-NSHDSACASA-N 306.341 1.955 10 10 DDCE COc1cccc(O)c1[C@@H](C)n1ncc(S(C)(=O)=O)c1N 2070218436 XCNNQIMPUZNQTH-MRVPVSSYSA-N 311.363 1.192 10 10 DDCE COc1cnn(Cc2c(O)cc(O)cc2O)c1Br 2070289929 WBDNYIWNEGARBL-UHFFFAOYSA-N 315.123 1.819 10 10 DDCE N[C@]12C[C@@H]1CN(Cc1cc(Br)cc(F)c1O)C2 1236031582 XMCMSVURTIPKHN-PELKAZGASA-N 301.159 1.827 10 10 DDCE CO[C@H]1C[C@@H](O)CN(c2ccc(CN)cc2Br)C1 2046671608 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C[C@H]1CCCN1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 184859596 KIXQCCJHSLZRCT-ZDUSSCGKSA-N 311.451 1.914 10 10 DDCE CCOc1ccc(O)c(CN2CCO[C@@H](Cn3cccn3)C2)c1 122303445 MDTGCSOZNFCKDK-MRXNPFEDSA-N 317.389 1.888 10 10 DDCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CCC(=O)N(C)C1=O 316257725 FVPWDLMMTODORG-UTUOFQBUSA-N 302.374 1.986 10 10 DDCE CCS(=O)(=O)N(C)Nc1nc2c(s1)CCC[C@@H]2C(=O)O 2365341999 UCXBQNQTGDMIGT-ZETCQYMHSA-N 319.408 1.256 10 10 DDCE CNC(=O)NC[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1 529644078 RGBIALKKPXPDGZ-LLVKDONJSA-N 313.785 1.175 10 10 DDCE Nc1ccc(CCNS(=O)(=O)c2ccnc(Cl)c2)cc1 2162382467 YIQXWJDUKOIEAJ-UHFFFAOYSA-N 311.794 1.838 10 10 DDCE CN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CCC1=O 827359589 PYVPXFBZFQMDIE-UHFFFAOYSA-N 321.396 1.326 10 10 DDCE CCNC(=O)CCC(=O)N1CCN(c2ccc(OC)cc2)CC1 732049817 BAFGXOVHCVUSAZ-UHFFFAOYSA-N 319.405 1.260 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC3(CCOCC3)C2)c1O 839140212 CIAJKZLQNTUZNY-UHFFFAOYSA-N 308.334 1.921 10 10 DDCE COc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2)c(O)c1 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CS(=O)(=O)C[C@H]1CCN(Cc2ccc(Cl)cc2O)C1 1560852352 OGBJSEPVBNYLEI-JTQLQIEISA-N 303.811 1.912 10 10 DDCE COc1ccc(CNC(=O)c2cccnc2OCCO)c(O)c1 1139032689 OCSKAZYTKAXJKS-UHFFFAOYSA-N 318.329 1.097 10 10 DDCE COc1ccc(CNC(=O)NCC[C@H](C)[S@](C)=O)c(O)c1 793007609 DXYNLBJAOFMANQ-CWKPULSASA-N 314.407 1.357 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[C@H]2C[C@@H]2C1 1345920186 VSLZINPYBZVELY-IACUBPJLSA-N 302.374 1.655 10 10 DDCE COC(=O)c1cnc(N[C@H](C)Cc2ccc(O)c(O)c2)cn1 1458310814 QBDUUWOKRHSWAT-SECBINFHSA-N 303.318 1.718 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C=O)n(C)n1 1633818475 JBAFVTBXSYNDKP-SECBINFHSA-N 303.318 1.005 10 10 DDCE CCN(CC)C(=O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1651434633 XBMRLUZTSLMSMJ-UHFFFAOYSA-N 305.338 1.447 10 10 DDCE Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)c(O)c1O 1596280811 XJUQWICUOACADI-CYBMUJFWSA-N 319.332 1.879 10 10 DDCE CNCc1cc(F)c(N(C)CC2(O)CCOCC2)c(F)c1 161880958 WTTIIQZGJRIFNU-UHFFFAOYSA-N 300.349 1.662 10 10 DDCE C[C@@H](Nc1c(N)cccc1Br)C1CS(=O)(=O)C1 1942240234 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CC(=O)NC1CN(c2ccc([C@@H](C)N)cc2Br)C1 723178130 YLRVGELDOFZOPD-MRVPVSSYSA-N 312.211 1.794 10 10 DDCE CCOC[C@H]1CCCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2063360560 XGJGEXVBSPNVHB-LBPRGKRZSA-N 318.377 1.632 10 10 DDCE CCS(=O)(=O)[C@@H]1CCN(c2ccc(CNC)cc2F)C1 2179896779 QZHPOXROAQXIFX-GFCCVEGCSA-N 300.399 1.559 10 10 DDCE C[S@@](=O)C1CN(c2c(F)cc(CNC3CC3)cc2F)C1 2171951325 NQPTXJDFWLAOBH-HXUWFJFHSA-N 300.374 1.784 10 10 DDCE COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 2183614919 AGIPBEPZRWDQTE-UWVGGRQHSA-N 304.372 1.148 10 10 DDCE COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2183615079 BNKHNMKCFPPBBY-UWVGGRQHSA-N 304.372 1.290 10 10 DDCE OCc1ccc(N2CCn3ncnc3C2)cc1Br 2050958531 ONXUVGDQTVQEQP-UHFFFAOYSA-N 309.167 1.553 10 10 DDCE C[C@H](O)c1ccc(N2CCC2(CO)CO)cc1Br 2073921359 PKEJNIZUIPKYOD-VIFPVBQESA-N 316.195 1.436 10 10 DDCE CO[C@@H]1CN(c2ccc(CN)c(Cl)c2)[C@H](CO)[C@H]1OC 2233359117 YFLAOSYLBKTIEV-MGPQQGTHSA-N 300.786 1.010 10 10 DDCE CSc1ncc(CNC(=O)NCCCCC(=O)O)s1 2269120215 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COc1cc(Cl)c(N2CC[C@H](O)[C@H](CO)C2)c(OC)c1 2368104795 BITJSSXKHHKJTP-CABZTGNLSA-N 301.770 1.537 10 10 DDCE C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(O)c(O)c1)CS2 269070356 FJONBLPVQJPXCY-BMIGLBTASA-N 322.386 1.168 10 10 DDCE C[C@H](NCCCN1CCCC1=O)c1cc([N+](=O)[O-])ccc1O 273400941 NCJVMYONZXVSRE-NSHDSACASA-N 307.350 1.964 10 10 DDCE COc1cc(O)c(CN2CCO[C@]3(CCCOC3)C2)cc1OC 285221071 XYTDPDLPBPSXMD-QGZVFWFLSA-N 323.389 1.791 10 10 DDCE COCCN1CC[C@H](NCc2cc(Cl)c(F)cc2O)C1 293626646 MXYTWWIUIPFXJN-NSHDSACASA-N 302.777 1.995 10 10 DDCE O=S1(=O)CC[C@H](CNCc2cc(Cl)c(F)cc2O)C1 293797324 BSLVPEDIHRQDAI-MRVPVSSYSA-N 307.774 1.709 10 10 DDCE CN(CC[S@](C)=O)c1c(F)cc(/C=C/C(=O)O)cc1F 398889321 YKUJWEDWTWKUCY-YADGQWAMSA-N 303.330 1.877 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCNC(=O)CC1 815629755 LYELRBHXHJIPBH-CYBMUJFWSA-N 303.406 1.594 10 10 DDCE CCCn1nccc1N1C(=O)CN(Cc2ccccc2O)C1=O 819007809 FSKNQMJWVBSLPI-UHFFFAOYSA-N 314.345 1.968 10 10 DDCE CC1(C)CN(CC(=O)NCc2ccc(N3CCOCC3)cc2)C1 816897401 FDIZEDIARYXNIC-UHFFFAOYSA-N 317.433 1.481 10 10 DDCE CO[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCOC1 824669373 KHKIPQMYVVBEKO-IUODEOHRSA-N 310.369 1.559 10 10 DDCE C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCN1CCO 835044960 DYNFPGKJGIZSLF-YIEVGGLXSA-N 303.450 1.764 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCC(=O)N(C)C2)c1 738502561 GYPXRABBFDGBHI-GHMZBOCLSA-N 321.377 1.382 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@H]1CCN2CCC[C@@H]2C1 914150648 PZKBSFUTNZAUPA-NWDGAFQWSA-N 307.369 1.957 10 10 DDCE CN(Cc1ccccc1O)C(=O)C1C[C@H]2COC[C@@H](C1)C2=O 740083129 CZFDEAKYGCEJEZ-AGUYFDCRSA-N 303.358 1.592 10 10 DDCE C[C@@H](O)[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 840975903 AKAISRHVNGSGDL-CRAIPNDOSA-N 319.449 1.020 10 10 DDCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)NCc5c(O)cccc5F)[C@@H]4[C@@H]3[C@@H]12 928708992 UTYINOFYMTZBGV-DXTUHBSOSA-N 313.328 1.475 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC[C@H](OC)[C@@H]2CCOC2)c1 850484454 JEONIZXDQLZHHE-GHJWDPDVSA-N 323.389 1.881 10 10 DDCE COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855227092 WEXGLAPYDXSREC-TUKIKUTGSA-N 318.373 1.199 10 10 DDCE O[C@H](CCNCc1ccc(N2CCOCC2)cc1)C(F)F 865689250 YBWIORGTYGWFMN-CQSZACIVSA-N 300.349 1.629 10 10 DDCE CO[C@@H]1CCn2cc(C(=O)NCc3ccccc3O)nc2C1 866756214 STVNFSMXRUDHGZ-GFCCVEGCSA-N 301.346 1.480 10 10 DDCE CCOc1cccc(CN2CCC[C@H]2CS(N)(=O)=O)c1O 769427121 GSEFHFXYVSVPIO-LBPRGKRZSA-N 314.407 1.044 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccn(C)n1 765762294 GAEKTQJOGSXWNS-UHFFFAOYSA-N 301.394 1.828 10 10 DDCE COCCN(CCOC)[C@H](C(=O)Nc1ccc(N)cc1)C(C)C 62461108 UCZNTVQMJUFYOK-INIZCTEOSA-N 323.437 1.827 10 10 DDCE C[C@H](NC[C@H](O)CC1(O)CCOCC1)c1ccc(N(C)C)cc1 872206633 YVXFVXFERWSDLQ-WMLDXEAASA-N 322.449 1.696 10 10 DDCE Cc1cc(Br)c(O)c(CN2C[C@H](O)C[C@H]2CO)c1 775996067 RMUFQUPQEITSBS-WDEREUQCSA-N 316.195 1.391 10 10 DDCE Cc1ccc(C(=O)NC[C@@H](CO)c2ccccc2)c(O)c1O 780969769 NZONQEFTEYCXSJ-ZDUSSCGKSA-N 301.342 1.912 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3C[C@H](C)CO3)CC2)cc1F 896899481 SKIJZYUYDQPGRP-BLLLJJGKSA-N 322.380 1.908 10 10 DDCE Cn1ncnc1C1(O)CN(Cc2ccc3ccccc3c2O)C1 895619196 UHJVNFBRFAZPGP-UHFFFAOYSA-N 310.357 1.377 10 10 DDCE Cn1nccc1[C@H]1COCCN1Cc1cc(F)cc(F)c1O 895149069 BPXMLNAZWIJTBX-CQSZACIVSA-N 309.316 1.977 10 10 DDCE COCC1(O)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 897888978 KTKGBOTXOGBFAX-UHFFFAOYSA-N 309.343 1.146 10 10 DDCE Cc1c(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)cnn1C 791161878 PKMHAIHSGMVEMT-ALCCZGGFSA-N 301.346 1.812 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)c1ccc2c(c1)COB2O 1146233081 QFTHPKALUPFDBK-UHFFFAOYSA-N 317.537 1.193 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H](CO)C2CCC2)cc1F 1350480748 ZHFAGDGBVSMQJJ-AWEZNQCLSA-N 309.385 1.852 10 10 DDCE CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1539393758 FVDQCMYWXWJGOP-LLVKDONJSA-N 324.362 1.108 10 10 DDCE Cc1ccc(C(=O)N[C@@H](CO)Cc2ccc(O)cc2)c(O)c1O 1632575155 QSPSPSUZPYCLIC-GFCCVEGCSA-N 317.341 1.445 10 10 DDCE COc1cccc(CNC(=O)/C=C\c2ccc(C(N)=O)o2)c1O 1631540275 RMXFCMZZFBRCQF-VURMDHGXSA-N 316.313 1.422 10 10 DDCE O=C(NCc1c(O)cccc1O)c1c[nH]nc1[C@H]1CCCO1 1635851201 ZETQWXAPVCURRH-CYBMUJFWSA-N 303.318 1.602 10 10 DDCE O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)c1cccc(O)c1O 1636993116 UIVBAXUYXBRGLK-WCQYABFASA-N 319.357 1.698 10 10 DDCE CNc1nccc(C(=O)NCc2cc(C)ccc2O)c1[N+](=O)[O-] 1633281987 AZBDRKBWTGIMMF-UHFFFAOYSA-N 316.317 1.976 10 10 DDCE C[C@@H](NC(=O)c1nc(-c2cnccn2)no1)c1ccccc1O 1632249955 DZUYNXPACYNZNG-SECBINFHSA-N 311.301 1.723 10 10 DDCE CCCN(CCO)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1691198474 VZBBOMBTLDDPJJ-UHFFFAOYSA-N 321.381 1.283 10 10 DDCE CS(=O)(=O)c1ccccc1CC(=O)Nc1ccc(N)cc1 1866155078 AOQHCTKHWOUNOL-UHFFFAOYSA-N 304.371 1.854 10 10 DDCE N[C@@H]1[C@H]2C[C@@H]1N(Cc1cc(Br)cc(F)c1O)C2 1947038636 IQRPUUVJVCBISG-NRZXQICZSA-N 301.159 1.825 10 10 DDCE O=S(=O)(NCCNCc1cccc(Cl)c1O)C(F)F 1964612027 PHKMZWXMYDPYAN-UHFFFAOYSA-N 314.741 1.277 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1Nc1c(N)cccc1C(N)=O 1984414275 FDBFFZVAFAHKTA-SKDRFNHKSA-N 320.393 1.693 10 10 DDCE CN1CCN(c2ccc(CN)c(Br)c2F)[C@H]2C[C@@H]21 2049381695 WZLYGVLKFVRKSE-QWRGUYRKSA-N 314.202 1.940 10 10 DDCE CO[C@H]1COC[C@H]1CNCc1cccc(Br)c1O 2036603548 WKKLAPBJVWCBIT-PWSUYJOCSA-N 316.195 1.906 10 10 DDCE C[C@@H]1CN(c2ccc(CN)cc2Cl)C[C@@H](C)S1(=O)=O 400857165 UXTOPGPFOFQOFE-NXEZZACHSA-N 302.827 1.811 10 10 DDCE C[C@@H]1CN(c2ccc(CN)c(F)c2F)C[C@@H](C)S1(=O)=O 400849284 PGCQQWPJRBCDFI-RKDXNWHRSA-N 304.362 1.435 10 10 DDCE CCCS(=O)(=O)C[C@](C)(NCCCN=[N+]=[N-])C(=O)OC 2170551647 ZBIJEXSTDFRMFH-NSHDSACASA-N 306.388 1.033 10 10 DDCE C[C@@H](N)c1ccc(N(C)[C@H]2COC[C@H]2O)cc1Br 709330038 ILROTSOYHSEFRL-OXHMUOHRSA-N 315.211 1.665 10 10 DDCE CNCc1ccc(N2C[C@H](O)C[C@@H](O)C2)c(Br)c1 2043133151 UCGZHSOGYBGBPT-GHMZBOCLSA-N 315.211 1.100 10 10 DDCE CNCc1ccc(N2CC([C@H](F)CO)C2)c(Br)c1 2048044079 FYGOSJMUKJANAU-GFCCVEGCSA-N 317.202 1.935 10 10 DDCE NC(=O)C1[C@@H]2CN(c3ccc(CO)c(Br)c3)C[C@@H]12 2081418993 QNDFEAVJSBCOLJ-NXEZZACHSA-N 311.179 1.109 10 10 DDCE CCS(=O)(=O)CCN(C)c1ccc(CNC)c(Cl)c1 2114046662 DCIGSROUDVAKKV-UHFFFAOYSA-N 304.843 1.930 10 10 DDCE CSc1ncc(CN[C@H]2CS(=O)(=O)N(C)C2(C)C)s1 2208798747 BEPXZPXPZPURFK-VIFPVBQESA-N 321.493 1.377 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)c1ccc(OC)cc1CO 2236004016 VTJKTOGAIRAYDF-NSHDSACASA-N 301.408 1.447 10 10 DDCE C[C@H]1CC[C@H](S(C)(=O)=O)CN1c1ccc(CN)cc1F 2279346843 VWYDSXPGULCYQB-JQWIXIFHSA-N 300.399 1.686 10 10 DDCE CCN1C(=O)C(=C2SC(=S)N(N)C2=O)c2ccccc21 2295499285 BXSVHWCNPZLUOU-UHFFFAOYSA-N 305.384 1.498 10 10 DDCE CCCCCCN1C(=O)NC(=O)C(=CNCCCN(C)C)C1=O 2296115882 OUGGLVJAVGVWMO-UHFFFAOYSA-N 324.425 1.070 10 10 DDCE CCOC(=O)c1noc(CNCc2cnc(SC)s2)n1 2284495585 AHJLIFDNRBEZIT-UHFFFAOYSA-N 314.392 1.715 10 10 DDCE Cc1ccc(CNC(=O)C2(N)CCC2)c(O)c1Br 2327595967 WVFALPSXWHNQST-UHFFFAOYSA-N 313.195 1.961 10 10 DDCE Cc1ccc(CN2CC(=O)NC[C@H]2C)c(O)c1Br 2327791783 FKXUJKFCBJDCNK-SECBINFHSA-N 313.195 1.783 10 10 DDCE NS(=O)(=O)c1ccc(CNCc2ccc(O)c(O)c2)cc1 20019010 MIXDBUWLJXKYGM-UHFFFAOYSA-N 308.359 1.035 10 10 DDCE COC(=O)[C@H](C)CC(=O)NCc1ccc2c(c1)CCCN2C 178056331 RPAYSNXDHIGRMU-GFCCVEGCSA-N 304.390 1.884 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)C1CCOCC1 62054865 ZICLQGHKYDEMII-SNVBAGLBSA-N 312.391 1.190 10 10 DDCE C[C@@H](NS(=O)(=O)CCOc1ccc(N)cc1)[C@H]1CCCO1 70490614 LTCVQUCRQIXKOH-BXUZGUMPSA-N 314.407 1.135 10 10 DDCE CC(=O)c1ccc(S(=O)(=O)NCCc2ccc(N)cc2)cc1 193339082 JZIZTCOQQDYJNM-UHFFFAOYSA-N 318.398 1.992 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(Cc2ccc(O)c(O)c2)CCNC1 1952170050 IKUDJESLZGWQDN-INIZCTEOSA-N 308.378 1.897 10 10 DDCE Nc1c(I)ccc([C@H]2COCCN2)c1O 238580873 JNNZKPDOGALUHV-MRVPVSSYSA-N 320.130 1.240 10 10 DDCE COC[C@@]1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCOC1 828861190 MUDFTGGBUYZXDK-DYVFJYSZSA-N 306.406 1.983 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1ccc(N2CCC2)nc1 827294573 GAOHFMWISXJTME-UHFFFAOYSA-N 313.357 1.675 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@@H]2CNCC(=O)N2)c1 1952344937 WYRVOIHCVRYYOL-NSHDSACASA-N 307.350 1.500 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cn(CC3CC3)nn2)cc1F 825510967 LNGFHFJYFCCTEI-UHFFFAOYSA-N 317.368 1.823 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@H](C(=O)O)[C@H]2CCOC2)cc1 901801636 SFPAADKXHGJNBX-BVWQNDCPSA-N 304.390 1.845 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC3(CCCOC3)C2)c1O 839138261 NVMHQEKYUKIVFQ-UHFFFAOYSA-N 308.334 1.921 10 10 DDCE C[C@@H]1CNCC[C@H]1NC(=O)NCc1ccc2c(c1)CCCN2C 841759368 NLWPEXJNNBEZMF-CZUORRHYSA-N 316.449 1.866 10 10 DDCE COCC1(c2noc(Cc3ccc(N)cc3)n2)CCOCC1 843236988 YXXDZHOBBMFJIM-UHFFFAOYSA-N 303.362 1.937 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(=O)O)on1 911117979 HCJMUQSWHDZRHS-UHFFFAOYSA-N 303.318 1.711 10 10 DDCE CO[C@H](COC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCOC1 849744607 CVXXKNMECVVZOA-VAIBOMDZSA-N 308.330 1.706 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@]2(N)C[C@@H]2C(=O)O)c1 1952899967 RLPKLXVGQCCDEY-MEBBXXQBSA-N 308.334 1.998 10 10 DDCE CCN(Cc1cc(O)n2ncc(C(=O)O)c2n1)[C@@H]1CCCOC1 846288804 DEZHLKQOADHLFV-LLVKDONJSA-N 320.349 1.134 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cc3cc(C)on3)C2)cc1 855232286 SLNBHONCHLNIJE-ZDUSSCGKSA-N 315.373 1.929 10 10 DDCE C[C@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc(N(C)C)cc1 851659909 XLKCVYYFHJYAKN-NILFDRSVSA-N 308.401 1.894 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CN3CC[C@H](C)C3)C2)cc1 855224056 DVFZUYPSHVPNKV-GJZGRUSLSA-N 317.433 1.732 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cnn(C)c1C 935945640 FIKIZQJDPFWZNX-UHFFFAOYSA-N 308.378 1.779 10 10 DDCE O=C(NCC[C@@H]1CC[C@@H]2C[C@H]12)C(=O)N1Cc2cccc(O)c2C1 1119903568 CQVUJYJPIRFJHV-OUCADQQQSA-N 314.385 1.787 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@@H](O)C[C@H]2CO)c(Br)c1 704631931 ABCROPNNOXEYBQ-MIMYLULJSA-N 316.195 1.434 10 10 DDCE CN(CCF)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1320091015 QROCULBXHQAQKR-UHFFFAOYSA-N 309.345 1.822 10 10 DDCE C[C@@H](O)CNC/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1 1321430863 SCASJUIUADDPIW-JARTXOHWSA-N 319.365 1.105 10 10 DDCE Cc1ccc(C(=O)N(C)C[C@H](O)c2cccnc2)c(O)c1O 1180217001 JLGQGOQPVNZENI-ZDUSSCGKSA-N 302.330 1.607 10 10 DDCE O=C(O)[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 1335465309 MUVSFHFIXCMOIX-JKSUJKDBSA-N 320.389 1.245 10 10 DDCE CN(CCN=[N+]=[N-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1F 1912204152 IWRKSVRFFIBTRN-UHFFFAOYSA-N 303.275 1.665 10 10 DDCE CCOC(=O)N1CCN(c2ccc(CNC)cc2OC)CC1 212681634 LLYNLDSQJWEXQK-UHFFFAOYSA-N 307.394 1.693 10 10 DDCE COC[C@H](C)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1716008215 AEDQPKQIQCQBSI-QWRGUYRKSA-N 321.381 1.592 10 10 DDCE C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ncnn1C 1626883397 FMPYRYHXDQOCHG-SSDOTTSWSA-N 318.358 1.932 10 10 DDCE CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCCOC 1481881226 FSYGDNZUDWEMMR-GFCCVEGCSA-N 321.381 1.593 10 10 DDCE Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(O)cc1O 1626838233 SQHQWGUNOBGQLP-UHFFFAOYSA-N 303.274 1.518 10 10 DDCE CCC(=O)N1CCC[C@H](C(=O)NCc2c(O)cccc2O)C1 1558534525 SWQURZOSPOTCIJ-NSHDSACASA-N 306.362 1.363 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@H](O)CCc1ccccc1 1638352691 UNASMYXLQJQFOT-OAHLLOKOSA-N 301.342 1.708 10 10 DDCE O=C(CCc1ccncn1)NCc1ccc2cccnc2c1O 1570533755 PFDNUAGMDPOGFV-UHFFFAOYSA-N 308.341 1.979 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C[C@H](COC)OC 1646330662 MTNPCRHNKNPQIE-CQSZACIVSA-N 311.378 1.419 10 10 DDCE CN=[S@](C)(=O)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1647767579 LVAPHFRSRPWQJJ-OAQYLSRUSA-N 311.367 1.306 10 10 DDCE C[C@@H](NCc1cccc(Cl)c1O)[C@H]1CCS(=O)(=O)C1 898214621 FZQLXRKEDOFXAC-KOLCDFICSA-N 303.811 1.958 10 10 DDCE CC[C@@H](N[C@H](C)CS(=O)(=O)N(C)C)c1ccccc1O 1967467213 YDFBDXUUPNURBQ-DGCLKSJQSA-N 300.424 1.713 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NC(=O)c1cccc(O)c1O 1986693125 CGSRUKIVTXNJSA-WDEREUQCSA-N 322.361 1.883 10 10 DDCE CCOC(=O)[C@@](C)(CS(=O)(=O)C(C)C)NCCN=[N+]=[N-] 2170545094 KHNFYJNQBVUUHL-LLVKDONJSA-N 306.388 1.031 10 10 DDCE CN(Cc1c(O)cccc1Br)C[C@@H]1CNCCO1 706806682 XAKYOAJUGWNKKO-JTQLQIEISA-N 315.211 1.575 10 10 DDCE CC1(C)CC(COc2nnc(=N)[nH]n2)(NC(=O)OC(C)(C)C)C1 2210645925 ITHMROQSERKPDA-UHFFFAOYSA-N 324.385 1.141 10 10 DDCE CSc1ncc(CNC(=O)c2cnc(NN)c(F)c2)s1 2284708583 BSDFBXNFTYDOJZ-UHFFFAOYSA-N 313.383 1.615 10 10 DDCE CSc1ncc(CNC(=O)c2c(F)cncc2NN)s1 2284710662 IAPSLLJDCSPDQF-UHFFFAOYSA-N 313.383 1.615 10 10 DDCE CS(=O)(=O)Oc1ccc(C=C2SC(=S)NC2=O)cc1 2297357276 KZRMFAJWTPLCCE-UHFFFAOYSA-N 315.397 1.514 10 10 DDCE C[C@@H]1C[C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)CN1C1CC1 2307989955 OHNBIYUWPGJCRP-DGCLKSJQSA-N 302.374 1.852 10 10 DDCE CN1C(=O)COc2cc(N=NN3CCC(C(=O)O)CC3)ccc21 2330245849 BSQFGDNBUUCDBN-UHFFFAOYSA-N 318.333 1.837 10 10 DDCE Cn1nccc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 108708319 PZEHKKUSZGYPOT-QPJJXVBHSA-N 312.373 1.909 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCN(C3CC3)CC2)cc1 127170693 XJOYKHJWEOLASI-UHFFFAOYSA-N 302.422 1.742 10 10 DDCE C[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCCO1 183160362 VWICVDJDMJXVLY-CZUORRHYSA-N 305.422 1.526 10 10 DDCE CCOC(=O)Cc1nc(NN(C)S(=O)(=O)CC)sc1C 2365283470 RHYWYJMSEXGDOA-UHFFFAOYSA-N 321.424 1.166 10 10 DDCE COCCN(Cc1cc(Cl)c(F)cc1O)[C@@H](C)C(N)=O 295431839 TURCEORGLAWQKK-QMMMGPOBSA-N 304.749 1.507 10 10 DDCE COc1cccc(CN2CC[C@H](CN3CCOC3=O)C2)c1O 824451344 SYRRZHQLJOKEDE-LBPRGKRZSA-N 306.362 1.675 10 10 DDCE CO[C@]1(CN[C@H](C)c2cc(C)ccc2O)CCS(=O)(=O)C1 903366385 UOCISZAQRSAQKP-DOMZBBRYSA-N 313.419 1.555 10 10 DDCE CN(C)c1ccc(/C=C/CN2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 835057730 YJOHVQIXXNDCLF-RYTMFUSVSA-N 315.417 1.355 10 10 DDCE NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1ccc(O)c(O)c1 588405092 GKCLNTKGTJTGSO-YYYFKNSJSA-N 304.346 1.271 10 10 DDCE CCNS(=O)(=O)CCNC/C=C\c1ccc(N(C)C)cc1 835038085 SSVXHCYUMGMQSW-WAYWQWQTSA-N 311.451 1.295 10 10 DDCE C[C@@H]1CN(C)C[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 756099090 FOSGTOUROJCRDR-DNVCBOLYSA-N 317.477 1.935 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)CCO)C2)cc1 854300578 WCBCQLYDRIBMML-KGLIPLIRSA-N 321.421 1.592 10 10 DDCE C[C@@H](NC(=O)N1CC[C@@H](NC(N)=O)C1)c1ccc(N(C)C)cc1 776244463 JMBDMQSIHUBTSJ-DGCLKSJQSA-N 319.409 1.266 10 10 DDCE C[C@@H](NC(=O)N1CCOC[C@H]1CCO)c1ccc(N(C)C)cc1 776239230 SENVRSWCSUJBLR-CZUORRHYSA-N 321.421 1.606 10 10 DDCE COc1cc(C)cc(CN2CCNC(=O)CC23CCC3)c1O 895926753 DZMAGYNUGUIKPN-UHFFFAOYSA-N 304.390 1.954 10 10 DDCE Cc1cc(O)c(CNCCN(C)CCOCCO)cc1Cl 895663246 VIXBTVYJLVYLCR-UHFFFAOYSA-N 316.829 1.384 10 10 DDCE CO[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 1141803622 KTPCLAVLUUSPPO-HUUCEWRRSA-N 306.431 1.891 10 10 DDCE C[C@H]1CC[C@@H](C)CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1329466974 BTJMUZNKJKUREG-NEPJUHHUSA-N 302.374 1.881 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)NCC[C@@H]2CC2(F)F)cc1 1351204071 DLYRMEDYCYYFJJ-LLVKDONJSA-N 311.332 1.089 10 10 DDCE COc1cccc(CNC(=O)c2ccnc3[nH]c(O)nc23)c1O 1445965315 GATFXXQAYFIKCV-UHFFFAOYSA-N 314.301 1.308 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2cnon2)cc1C 1480557401 SMAWIJHMTYVGJK-NSHDSACASA-N 304.350 1.295 10 10 DDCE COC(=O)NCCNC(=O)c1cc2cc(O)c(O)cc2s1 1624121850 ZEYVYOZLRFWONI-UHFFFAOYSA-N 310.331 1.398 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2cnco2)cc1C 1569010218 NYPZEZCLMZHMSG-GFCCVEGCSA-N 303.362 1.900 10 10 DDCE C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H](C)[C@@H]1O 1632502463 AAMQFMQXLMNFFU-IWIIMEHWSA-N 304.350 1.938 10 10 DDCE CC[C@H](O)Cn1cc(C(=O)NCc2cccc(Cl)c2O)nn1 1637231867 AXCFHIBERALDMM-JTQLQIEISA-N 324.768 1.338 10 10 DDCE COC(=O)c1cccc(C(=O)NCc2cc(O)ccc2O)c1 1643879182 DQQOKQCXDMQMBM-UHFFFAOYSA-N 301.298 1.814 10 10 DDCE CC(C)c1n[nH]c(CNC(=O)N(C)Cc2ccccc2O)n1 1686590345 WVOPYBUZAWTTNQ-UHFFFAOYSA-N 303.366 1.975 10 10 DDCE COc1cccc(CNC(=O)Nc2cn(C)c(=O)cc2C)c1O 162020330 HQQFJLHVYVQQRV-UHFFFAOYSA-N 317.345 1.730 10 10 DDCE COC(C)(C)CS(=O)(=O)Nc1ccc(O)cc1C(=O)O 844782993 PBKJHEHKTQEESP-UHFFFAOYSA-N 303.336 1.257 10 10 DDCE [N-]=[N+]=N[C@H]1CCN(C(=O)CNC(=O)OCc2ccccc2)C1 1880824313 GEKPDYZQTQFMDE-LBPRGKRZSA-N 303.322 1.824 10 10 DDCE Oc1ccc(Br)cc1CNC[C@@]1(O)CCCOC1 1971050691 DILYPEYQAZHLAZ-ZDUSSCGKSA-N 316.195 1.786 10 10 DDCE NCc1ccc(N2C[C@@H]3CCCS(=O)(=O)[C@@H]3C2)cc1Cl 2145064161 MBAJKLIHVSZZKK-SMDDNHRTSA-N 314.838 1.812 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)c(F)c1 2145062252 RFCWDEVXNLBQCI-BXKDBHETSA-N 302.346 1.047 10 10 DDCE Nc1ccc(NC(=O)CCCN2CCC[C@@H]2C2OCCO2)cc1 2145848498 NWLLFURJATVRAD-OAHLLOKOSA-N 319.405 1.825 10 10 DDCE CCCNCc1ccc(N2CCS(=O)(=O)CC2)c(F)c1 36162824 DQNRKUUDIVMYCF-UHFFFAOYSA-N 300.399 1.560 10 10 DDCE Cn1nnc(Br)c1CNCc1cccc(O)c1O 2028901564 ZGZANTONMSJICI-UHFFFAOYSA-N 313.155 1.279 10 10 DDCE [N-]=[N+]=N[C@H]1CCCN(C(=O)[C@H]2CCCS(=O)(=O)C2)CC1 2155552007 NRHQAFGRQLYXEK-QWRGUYRKSA-N 300.384 1.503 10 10 DDCE C[C@H](N)c1ccc(N2CCC[C@H](S(C)(=O)=O)C2)c(F)c1 312917977 CIHZYKTZDRKXDJ-JQWIXIFHSA-N 300.399 1.859 10 10 DDCE Cn1[nH]c(CNCc2cccc(Br)c2O)cc1=O 391453743 SOSHLUFDMGCJNV-UHFFFAOYSA-N 312.167 1.471 10 10 DDCE CNC(=O)CN(C)c1ccc([C@H](C)N)cc1Br 723174350 BCGFTJUXFQYYNW-QMMMGPOBSA-N 300.200 1.651 10 10 DDCE C[C@H](NS(=O)(=O)c1cc(CO)cs1)c1ccccc1O 2192625720 HSPIJMNXIHAAOP-VIFPVBQESA-N 313.400 1.986 10 10 DDCE C[C@@H](CO)CS(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2183509657 GSZLWKDSKUZENI-ZETCQYMHSA-N 313.297 1.781 10 10 DDCE Cn1nc(Br)c([C@@H](O)[C@@H](N)c2ccccc2O)n1 2048781339 PZKBKVFUULLQDA-WPRPVWTQSA-N 313.155 1.017 10 10 DDCE C[C@@H](NCc1ccc(Br)cc1O)c1nc(=O)o[nH]1 2057692791 QEYKBEUTSWYLRG-ZCFIWIBFSA-N 314.139 1.682 10 10 DDCE C[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1COc1nnc(=N)[nH]n1 2210646517 KFDWEAOWFNDIAF-VHSXEESVSA-N 324.385 1.094 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1n[nH]cc1CO 2101585500 CACYJPPFCRMHLP-UHFFFAOYSA-N 303.727 1.062 10 10 DDCE O=S1(=O)CC[C@@H]2CN(Cc3c(O)cccc3Cl)C[C@H]21 2088814989 NCBZIKPACBOIOZ-NOZJJQNGSA-N 301.795 1.665 10 10 DDCE NC(=O)[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cnccn2)C1 491888127 VUXOVVJUBAHPTC-CFHLNLSMSA-N 308.341 1.181 10 10 DDCE CCOC(=O)c1c(C)noc1NC(=O)c1cc(O)c(O)c(O)c1 170190477 DKRWUQRVCRKKNZ-UHFFFAOYSA-N 322.273 1.529 10 10 DDCE CCc1n[nH]c([C@@H]2CN(Cc3cc(C)ccc3O)CCO2)n1 129140094 SNFKPQVAOHDWGU-AWEZNQCLSA-N 302.378 1.955 10 10 DDCE C[C@@H](NCc1cccc(S(N)(=O)=O)c1)c1ccccc1O 37649934 NBAIMOGOKIQYSS-LLVKDONJSA-N 306.387 1.890 10 10 DDCE CCOc1cccc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1O 120611031 CPEZPBWTCGTQIX-ZIAGYGMSSA-N 308.422 1.678 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@H]2CNC(=O)CN2)c1 1952165291 QIBHHOLWEPGHSC-LLVKDONJSA-N 307.350 1.500 10 10 DDCE COCCN1[C@@H](C)CN(C(=O)c2cccc(O)c2O)C[C@@H]1C 193146639 FQELESRRSKPGIZ-RYUDHWBXSA-N 308.378 1.279 10 10 DDCE COc1cc(Cl)c(N2CC[C@](N)(C(=O)O)C2)c(OC)c1 2368108531 PMEHFNHFGNXWBZ-CYBMUJFWSA-N 300.742 1.349 10 10 DDCE CC[C@](C)(NCc1cccc(Br)c1O)C(N)=O 383804354 OJVSGCOOPVWNSR-LBPRGKRZSA-N 301.184 1.898 10 10 DDCE COc1ccc(N2CCN(C(=O)NC3CC3)CC2)cc1OC 242941970 HBZZFTWGBVTODH-UHFFFAOYSA-N 305.378 1.698 10 10 DDCE CC1(N2CCOCC2)CCN(C(=O)c2cccc(O)c2O)CC1 529909587 KQUDGSCYNMXMRU-UHFFFAOYSA-N 320.389 1.425 10 10 DDCE COC(=O)c1ccc(COC(=O)c2ccc(C)c(O)c2O)nc1 803328671 SUOKTNJZYRGBLC-UHFFFAOYSA-N 317.297 1.945 10 10 DDCE CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H](O)C(F)F 296492250 XMCSVGXQJUPNRB-CHWSQXEVSA-N 315.364 1.956 10 10 DDCE COC(=O)[C@@H](C1CC1)S(=O)(=O)Nc1ccc(O)c(Cl)c1 2167065716 OWBAFJZBJLFWPL-LLVKDONJSA-N 319.766 1.739 10 10 DDCE O=C1CC[C@H](C(=O)NCCCSc2nccs2)CCN1 815590643 DHYXMEDRORWJJW-JTQLQIEISA-N 313.448 1.658 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@H]2CN(C)C(=O)N2)cc1 822607667 LLNFVVGMTCKHNL-CQSZACIVSA-N 304.394 1.173 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3CCN(C)C3)C2)cc1 824372412 BPYLSORMVHREMM-LSDHHAIUSA-N 317.433 1.732 10 10 DDCE CN(C)C[C@]1(O)CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 834564324 JFZGSTIKGOQARA-QQOXCAACSA-N 320.389 1.026 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCOC3)C2)cc1 855226614 REELBCJXYLNOPE-KGLIPLIRSA-N 304.390 1.817 10 10 DDCE CN(C)c1ccc(CNC(=O)NC[C@@]2(O)C[C@H]3C=C[C@H]2C3)cc1 853245437 ZHSZOXHWFZAGNR-MPGHIAIKSA-N 315.417 1.879 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@]2(O)C[C@H]2C1 853749384 QUWOBUNCMHMVQW-WMLDXEAASA-N 303.406 1.727 10 10 DDCE COc1ccc(N2CC[C@H](Nc3ccc4nncn4n3)C2)cc1 853758204 BJCLPFVYYZWLSN-LBPRGKRZSA-N 310.361 1.824 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)COC(C)C)C2)cc1 851639099 BAVNBXPPFVTYIH-BBRMVZONSA-N 321.421 1.142 10 10 DDCE CCN(CC(F)(F)F)C(=O)COC(=O)c1cccc(O)c1O 869477059 TXQBRYSQTYXSNA-UHFFFAOYSA-N 321.251 1.665 10 10 DDCE COc1cc(CN(C)C[C@H]2CCS(=O)(=O)C2)c(O)cc1C 768445103 FJKNEWYFEZGCIB-GFCCVEGCSA-N 313.419 1.576 10 10 DDCE CCN(CC1CC1)S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 776434702 KPOFDCPRTVYJMI-UHFFFAOYSA-N 314.363 1.479 10 10 DDCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)NCc5cccc(O)c5O)[C@@H]4[C@H]3[C@@H]12 1123977939 MVTZBTPAUPEGEW-NZIBSADASA-N 311.337 1.041 10 10 DDCE COC(=O)c1c(CN[C@H]2C[C@H](O)C2)c2cc(F)ccc2n1C 895349966 LBIMJMLOYLEDHX-XYPYZODXSA-N 306.337 1.717 10 10 DDCE CCOc1cccc(CN[C@H](C[C@@H]2CCCO2)C(=O)OC)c1O 895863112 KWRTVCAAJPRSAP-UONOGXRCSA-N 323.389 1.991 10 10 DDCE COC(=O)C[C@@H](NC(=O)c1cccc(O)c1O)C1CCCC1 899649279 KLSBJBVFEFWPGC-GFCCVEGCSA-N 307.346 1.950 10 10 DDCE CCN1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1=O 791038939 OZWWPNKXVPVRMF-LBPRGKRZSA-N 304.394 1.645 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1noc(C(F)(F)F)n1 1139467235 RWQPMQRROADGHD-UHFFFAOYSA-N 317.223 1.359 10 10 DDCE CCOC(=O)C(CC)(CC)NC(=O)Cc1ccc(O)c(O)c1 1141504833 QMSASFPYBGSDJV-UHFFFAOYSA-N 309.362 1.878 10 10 DDCE C[C@@H](NCc1cc2c(cc1O)OCO2)C1(S(C)(=O)=O)CC1 796488021 BLUROXBNZRUYQF-SECBINFHSA-N 313.375 1.176 10 10 DDCE Cc1cccc(C[C@@H](CO)NC(=O)Cc2ccc(O)c(O)c2)c1 1154327904 PKSKLUJRTUQGRU-HNNXBMFYSA-N 315.369 1.669 10 10 DDCE COc1cc(N2CCN([C@@H](C)[C@H](C)O)CC2)cc(OC)c1OC 1307665774 DBZVJOQNWQRGBI-STQMWFEESA-N 324.421 1.604 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H](F)C(F)(F)F)cc1 2123152147 BQFKUDPETBQRSM-VIFPVBQESA-N 300.277 1.589 10 10 DDCE COC[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 1331579637 JNEVFCIRXPIYKE-SNVBAGLBSA-N 323.370 1.800 10 10 DDCE C[C@H](C(=O)NCc1cccc(O)c1O)N(C)CC(F)(F)F 1347234423 NZPYOOYABPLNOP-MRVPVSSYSA-N 306.284 1.597 10 10 DDCE CNCc1ccc(N(CCO)C2COC2)c(Br)c1 1915497551 FCCGCLKHTPZTQX-UHFFFAOYSA-N 315.211 1.366 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@]1(O)CCOC1 1463810327 QXSNZPGYBZCSNV-KRWDZBQOSA-N 304.390 1.397 10 10 DDCE CN(CCNCc1ccc(O)c(O)c1O)C(=O)OC(C)(C)C 226752922 JIKLXVPCNXYZQB-UHFFFAOYSA-N 312.366 1.760 10 10 DDCE Cc1nnc(COCC(=O)NCc2cccc(O)c2O)s1 1558162022 TVKPCDSJFXTFIB-UHFFFAOYSA-N 309.347 1.091 10 10 DDCE COC(=O)CC[C@@H]1CC[C@H](C(=O)NCc2cccc(O)c2O)O1 1651175508 AOPJEXDYOFEIJT-WCQYABFASA-N 323.345 1.215 10 10 DDCE CC(C)(C)c1n[nH]c(CNC(=O)NCc2c(O)cccc2F)n1 1686745818 WSPNJRPVRILBIO-UHFFFAOYSA-N 321.356 1.946 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 152383609 REYUZYAGGAZOTL-JTQLQIEISA-N 318.377 1.863 10 10 DDCE CN(Cc1ccccc1O)C(=O)Nc1ccc(C(N)=O)nc1 159078400 CMJYZBCWLVFDRV-UHFFFAOYSA-N 300.318 1.550 10 10 DDCE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN=[N+]=[N-] 1885563629 XHHFOVPMQMGKMS-BDAKNGLRSA-N 301.347 1.077 10 10 DDCE COCCN(CC(C)C)S(=O)(=O)Cc1ccc(N)cc1 40318134 PVXZZFZDTSVQNV-UHFFFAOYSA-N 300.424 1.703 10 10 DDCE CCc1ncc(CNS(=O)(=O)Cc2ccc(N)cc2)s1 2170765202 HKOCJCKYOCEDAQ-UHFFFAOYSA-N 311.432 1.907 10 10 DDCE CNCc1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)c(Cl)c1 703137641 JWXZTYSZQVFOQO-LLVKDONJSA-N 317.842 1.187 10 10 DDCE CCSC1(CNS(=O)(=O)Cc2ccc(N)cc2)CC1 691849698 WQLLOAHEFQTTPX-UHFFFAOYSA-N 300.449 1.974 10 10 DDCE CCC(=O)NCCNCc1cc(Br)cc(F)c1O 715711036 BOGFJVFKXRRXDB-UHFFFAOYSA-N 319.174 1.910 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@H]3CC(C)(C)CO3)c2n1 2062065975 VPLXINHVQNAQIL-SNVBAGLBSA-N 304.350 1.288 10 10 DDCE [N-]=[N+]=NCCNS(=O)(=O)c1ccn([C@@H]2CCCCO2)n1 2174002964 RMIJSPQVENUTGL-JTQLQIEISA-N 300.344 1.171 10 10 DDCE CN1CCCC[C@H](N(C)C(=O)Cc2ccc(O)c(O)c2)C1=O 1302164035 FQKFWTJLNSUGRK-LBPRGKRZSA-N 306.362 1.110 10 10 DDCE CCOC(=O)CCCS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])C1 2178729527 MVKMRUGXKYXCEV-JTQLQIEISA-N 304.372 1.434 10 10 DDCE N[C@H]1CC(CN2CCc3cccc(Br)c32)=C[C@H]1O 2067768686 KORNBHKNQAQLMV-QWHCGFSZSA-N 309.207 1.830 10 10 DDCE O=C(NCc1ccccc1O)c1cnc(Br)cn1 2221592856 YWTPHMGJPHMZGL-UHFFFAOYSA-N 308.135 1.875 10 10 DDCE COC(=O)N[C@@H](C)CNCc1cccc(Br)c1O 2261467853 RZGABPZOLVCLEQ-QMMMGPOBSA-N 317.183 1.989 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2CC[C@@H]2CC(=O)O)s1 2284557257 POFCRYCAUUIXHK-VXNVDRBHSA-N 315.420 1.918 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(CCC(=O)O)cs1 2339781829 ONABAXIUBXDKEQ-UHFFFAOYSA-N 307.397 1.159 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)Cn2nnnc2C(C)C)c1 175344080 PXZODBUJPUSIDP-SNVBAGLBSA-N 319.365 1.388 10 10 DDCE CCN[C@@H](C)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 62084929 XHSJPOZMQVDVRD-ZDUSSCGKSA-N 311.451 1.439 10 10 DDCE CC[C@@]1(C)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 302690867 VEYUZITZHPZTBG-HNNXBMFYSA-N 321.333 1.931 10 10 DDCE COc1ccc(N2CCCN(C(=O)CC[C@@H](C)N)CC2)cc1 193303052 POVJUYZIIIKZOU-CQSZACIVSA-N 305.422 1.861 10 10 DDCE COc1ccc(CN2CCC[C@H]2CN2CCOCC2)c(O)c1 92218472 JGMUCSAUGGKLKU-HNNXBMFYSA-N 306.406 1.697 10 10 DDCE C[C@@H](NC[C@]1(CO)COCC2(CCC2)N1C)c1ccccc1O 527944657 AXWDFBRPQMGBBT-KDOFPFPSSA-N 320.433 1.659 10 10 DDCE CC(=O)C(=O)COC(=O)c1c[nH]ccc1=NC(=O)OC(C)(C)C 808540469 UGKOKMBWHUQGNQ-UHFFFAOYSA-N 322.317 1.165 10 10 DDCE CC(=O)[C@](C)(O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 828669491 LVGXAEJMQKGQAE-CXAGYDPISA-N 306.406 1.514 10 10 DDCE CC[C@@H](O)CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 822268422 AUJKHOXDYKSBFP-MRXNPFEDSA-N 306.406 1.643 10 10 DDCE Cc1cc(C(=O)N2CCOc3ccc(N(C)C)cc3C2)nn1C 581789697 GZVYTTXGQMEQOK-UHFFFAOYSA-N 314.389 1.829 10 10 DDCE CCOc1ccc(CN(C)[C@H]2CCN3CCO[C@H]2C3)c(O)c1 824501336 HXIBQTXDYHQFIA-RDJZCZTQSA-N 306.406 1.696 10 10 DDCE CN(C)c1ccc(CN2C(=O)N3CC4CC3(C4)C2=O)cc1F 849354489 SCHSJVNXEFNFKN-UHFFFAOYSA-N 303.337 1.818 10 10 DDCE CC[C@]1(C)NC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O 849356918 HXSNSYOLSDFULN-GUYCJALGSA-N 317.389 1.994 10 10 DDCE COCCN1CCC[C@H]1CNC(=O)NCCc1ccc(N)cc1 841800261 AJUXUUQQSOVRDN-INIZCTEOSA-N 320.437 1.221 10 10 DDCE CC(=O)C(=O)[C@]1(O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 1894047005 AZLYUIXDISONTL-OHUAYANFSA-N 311.378 1.541 10 10 DDCE CCCn1nccc1NC(=O)C(=O)NCc1ccccc1O 746384936 RJJJGGIWYGZRPY-UHFFFAOYSA-N 302.334 1.254 10 10 DDCE CN(C[C@@H](O)COC[C@@H]1CCCO1)c1ccc2c(c1)OCO2 756646441 WQHSOOTVUMJLLV-KGLIPLIRSA-N 309.362 1.408 10 10 DDCE C[C@H](NC(=O)N[C@H](C)CCS(C)(=O)=O)c1ccccc1O 868409139 MSEVAPLJCPGRDK-MNOVXSKESA-N 314.407 1.576 10 10 DDCE NC(=O)CCN(Cc1ccccc1)C(=O)c1cccc(O)c1O 1136141103 RIHBBBNIKTZSNJ-UHFFFAOYSA-N 314.341 1.616 10 10 DDCE C[C@H](NC(=O)c1cn(-c2cccnc2)nn1)c1ccccc1O 1151900049 KAAZWCDAMIPLGP-NSHDSACASA-N 309.329 1.859 10 10 DDCE CN(CCCNC(=O)c1cccc(O)c1O)c1ccccn1 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306.406 1.831 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC(=O)Nc1cccc(F)c1 1544637489 PDMMYNBSLPBUBZ-UHFFFAOYSA-N 318.304 1.534 10 10 DDCE Cn1c(=O)n(C)c2cc(OC(=O)c3cc(O)cs3)ccc21 1623499322 YGJAXSFKRWMQSO-UHFFFAOYSA-N 304.327 1.863 10 10 DDCE Cn1nc(-c2cccnc2)cc1C(=O)NCc1ccc(O)c(O)c1 1622664462 VGKYUHVPCNRPRD-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE NCc1ccc(N2CCOC[C@H]2CO)cc1Br 228155988 GRDFUTTXVMHHIX-LLVKDONJSA-N 301.184 1.105 10 10 DDCE CC(C)[C@H](O)CNC(=O)NCCCSc1nccs1 154561355 UZMIREQFFPNNIL-SNVBAGLBSA-N 303.453 1.941 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCCCN=[N+]=[N-] 1963700420 YRRCBIOSEXXGRL-SECBINFHSA-N 301.347 1.079 10 10 DDCE CCOCCCS(=O)(=O)N(CC)Cc1ccc(N)cc1 2145154248 ALRNDXRKIPQPPH-UHFFFAOYSA-N 300.424 1.847 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cc2ccc(N)cc2)CO1 1977671843 BBEMHJXVCBKRQZ-CYBMUJFWSA-N 321.377 1.478 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)C2)c(Br)c1 300131061 DZFBXHRCJBSGTQ-WQHBLYJGSA-N 315.211 1.271 10 10 DDCE C[C@@H](O)c1ccc(N(C)CC2(S(C)(=O)=O)CC2)c(F)c1 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CC[C@@H](CO)N1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 79465329 YWENXRJQPYRWKV-HNNXBMFYSA-N 324.396 1.622 10 10 DDCE CNC(=O)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 185471563 HGAYVAWIUYQEKZ-ZDUSSCGKSA-N 306.362 1.036 10 10 DDCE CC(=O)N(C(=S)NCCc1c[nH]cn1)c1ccc(N)cc1 243165760 JRXCIKDZGZUAQX-UHFFFAOYSA-N 303.391 1.462 10 10 DDCE C[C@H]1COCC[C@H]1NCC(=O)NCc1ccc(N(C)C)cc1 277631327 YZVLQKNCIIWVJQ-XJKSGUPXSA-N 305.422 1.383 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@@](F)(CO)C2)c([N+](=O)[O-])c1 801682571 HRAWKWIJQWUBDO-UJAVWCLSSA-N 324.308 1.692 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCCCN1C(=O)c1cccs1 808500606 SDESHLFULGFRQI-NSHDSACASA-N 323.370 1.444 10 10 DDCE C[C@H](NC1COCCOC1)c1ccc(N2CCOCC2)c(F)c1 813881139 UPURDNNWBRCGNQ-ZDUSSCGKSA-N 324.396 1.728 10 10 DDCE COc1cc(Cl)cc(CN2CCC(CO)(CO)C2)c1O 827474686 JJLVHRONGYTUKI-UHFFFAOYSA-N 301.770 1.231 10 10 DDCE COC(=O)CCCNC(=S)NCc1c(O)cccc1F 905660606 HOWGFXVOVDVCRF-UHFFFAOYSA-N 300.355 1.449 10 10 DDCE CC[S@@](=O)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C 733964052 KDCNZKFJTKAGQS-JOCHJYFZSA-N 319.430 1.988 10 10 DDCE C[C@@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccnn1C 832284325 IMKAMYFLSBXZNE-IUODEOHRSA-N 315.421 1.406 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]3CNC[C@@H]3CC2)c1O 843126269 HKWHMSKCXADUMU-TXEJJXNPSA-N 321.377 1.740 10 10 DDCE C[C@H](O)[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCO1 840978799 PLXGGERLWRARGB-SUMWQHHRSA-N 324.396 1.244 10 10 DDCE COc1ccc(N2CCN(C[C@@H]3CCC4(COC4)O3)CC2)cc1 929152946 KCJBCJVWWJWDKO-KRWDZBQOSA-N 318.417 1.765 10 10 DDCE COC(=O)C(C)(C)n1ccc(NC(=O)c2cc(O)cs2)n1 855897900 SFYDFMBEVBOCKO-UHFFFAOYSA-N 309.347 1.811 10 10 DDCE COc1ccc(CNC(=O)N[C@@H]2[C@H]3C[C@@H]4CO[C@H]2[C@H]4C3)c(O)c1 868907026 OFMADVNKQAKPKZ-UXWFCTFPSA-N 318.373 1.623 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC1CCC=CCC1 1119589377 WDPTUXLXELXXMQ-UHFFFAOYSA-N 302.374 1.966 10 10 DDCE C=CS(=O)(=O)CCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 1121103781 XPLWORSXFAPDAH-GFCCVEGCSA-N 310.419 1.878 10 10 DDCE CNC(=O)c1cccc(C(=O)NCc2cc(Cl)ccc2O)n1 1300396436 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1.648 10 10 DDCE CN(C)c1ccc(CN2CC[C@H](CNS(C)(=O)=O)C2)cc1 1644422101 SPDQYSFCTPXOAN-CQSZACIVSA-N 311.451 1.124 10 10 DDCE COC(=O)c1coc(CNC(=O)c2ccc(C)c(O)c2O)c1 1648039484 KEPKUOCVVNRSNF-UHFFFAOYSA-N 305.286 1.716 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H](O)c2ccsc2)cc1 231976773 JYRCNUQXWYNQPJ-ZDUSSCGKSA-N 312.416 1.483 10 10 DDCE Cn1cc(C(=O)NCc2c(O)cccc2O)c(-c2cccnc2)n1 1597568876 IWRTWUMOJVEKJS-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE CC[C@@H]1C(=O)NCCN1c1ccc(CN)cc1C(F)(F)F 163715728 ASFOJVIWHXLCSV-LLVKDONJSA-N 301.312 1.879 10 10 DDCE COCCNCc1ccc(N(C)CCO)cc1C(F)(F)F 167362108 SEQSQARLIGJJFH-UHFFFAOYSA-N 306.328 1.870 10 10 DDCE c1cn2c(CNCc3ccc(N4CCOCC4)cc3)cnc2cn1 156684401 XQEXLMXQBMOVIS-UHFFFAOYSA-N 323.400 1.856 10 10 DDCE CC(=O)CCN1C(=O)CCc2cc(N3CCNCC3)ccc21 259445002 LMQJRJUERUWQBV-UHFFFAOYSA-N 301.390 1.355 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CN(CCCN=[N+]=[N-])[C@H]2COC[C@@H]12 1962299682 NFPNAQVQBOPYBI-TUAOUCFPSA-N 311.386 1.911 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)c1cccc(O)c1O 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COc1ccc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c(CO)c1 2236000610 AYCPBXJVAZZCDR-MNOVXSKESA-N 301.408 1.445 10 10 DDCE COc1sccc1S(=O)(=O)Nc1ccc(O)c(N)c1 2227872171 WMBHEYIOQJCGKU-UHFFFAOYSA-N 300.361 1.845 10 10 DDCE CO[C@H]1CC[C@H]1CS(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 2239428766 ZTMQZMUFJADSCG-RYUDHWBXSA-N 302.400 1.764 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@H]2CCCCN2)s1 2269301465 HMENMDNELKPZSB-SECBINFHSA-N 321.493 1.427 10 10 DDCE C[n+]1ccccc1/C=C1\C=CC=CN1CCCS(=O)(=O)O 106761441 VOLCESJQYKIWBP-UHFFFAOYSA-O 307.395 1.515 10 10 DDCE Oc1cc2c(cc1CN1CC[C@H](N3CCOCC3)C1)OCO2 172960928 JPJJDZHJTPTZCZ-ZDUSSCGKSA-N 306.362 1.027 10 10 DDCE CCN(CC)c1ccc(CN2CCN(CCCN)CC2)cc1 66143059 PJGCDAUFZQWSDC-UHFFFAOYSA-N 304.482 1.999 10 10 DDCE CN(Cc1cccc(F)c1O)[C@@H]1CC[C@@H](S(C)(=O)=O)C1 2361672620 RHZHYOBZOZIRAA-VXGBXAGGSA-N 301.383 1.929 10 10 DDCE CCN1CCC(N(C)S(=O)(=O)Cc2ccc(N)cc2)CC1 36129074 RNSACLMFGVCSTN-UHFFFAOYSA-N 311.451 1.515 10 10 DDCE Cc1nc(NN(C)S(=O)(=O)C2CCC2)sc1CC(=O)O 2365273356 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CC(C)(C)OC(=O)Nc1cccc(O)c1[C@H]1NCCNC1=O 1952882836 HKALYRAOVOMVCF-GFCCVEGCSA-N 307.350 1.500 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CCOC[C@H]2CC2CCC2)cc1 841136083 SSGKAINWUKOQEK-OAHLLOKOSA-N 317.389 1.625 10 10 DDCE CC[C@@H](O)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 857458364 TUSRGQHRTJSHHZ-CYBMUJFWSA-N 324.396 1.564 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC[C@H](N)C3CC3)C2)cc1 851663397 YNXIXQWBTWBBSF-BBRMVZONSA-N 318.421 1.310 10 10 DDCE C[C@@H]1C[C@H](NC[C@H](O)CS(C)(=O)=O)c2c(O)ccc(F)c21 927022581 FRBFIUCEGURXIV-YWVKMMECSA-N 317.382 1.075 10 10 DDCE C[C@@H]1CN(C)C[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 850405998 NRRVDVIOERQRRM-KDOFPFPSSA-N 303.450 1.687 10 10 DDCE CN(C)c1ccc(CNC(=O)CN[C@@H]2C[C@H](O)C23CCC3)cc1 852584398 MOIHAXGYLPSQDQ-CVEARBPZSA-N 317.433 1.262 10 10 DDCE CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)OCC(=O)C(C)=O 860238495 UGUOAVUVCPKVHR-SECBINFHSA-N 301.339 1.333 10 10 DDCE COCc1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)co1 775893450 PUHRVJNTSDSKPG-VIFPVBQESA-N 306.318 1.593 10 10 DDCE COc1cc(O)c(CNCc2cc(C(N)=O)co2)cc1OC 779195991 MQDIHMNEWOVUQV-UHFFFAOYSA-N 306.318 1.391 10 10 DDCE CCOc1ccc(N2CCN(C(=O)Cn3ccnc3)CC2)cc1 1343725471 NARPQHWEVIFUJM-UHFFFAOYSA-N 314.389 1.631 10 10 DDCE CNC(=O)[C@@H](C)N(C)c1ccc(CN)c(Br)c1F 1916794378 FWSMYQWLVXWKBV-SSDOTTSWSA-N 318.190 1.618 10 10 DDCE C[C@@H](NCC(C)(C)NS(C)(=O)=O)c1ccc(O)cc1O 111772040 SRMJXTYTEPZJSH-SECBINFHSA-N 302.396 1.076 10 10 DDCE COc1cc(COCC(=O)NCc2c(O)cccc2O)ccn1 1472063433 KUKXIVOFCUPDPV-UHFFFAOYSA-N 318.329 1.334 10 10 DDCE C/C=C(\C)C(=O)N(CCO)CCNCc1ccc(OC)c(C)c1 1700025485 IOUGEHGZYKKHIJ-LHHJGKSTSA-N 320.433 1.880 10 10 DDCE NS(=O)(=O)c1ccsc1C(=O)N1Cc2cccc(O)c2C1 1558036220 XDNHXCMKZZQWGM-UHFFFAOYSA-N 324.383 1.257 10 10 DDCE C[C@@]1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC(=O)N1 1637478809 ZTGKNZQUOJWSEV-AWEZNQCLSA-N 303.322 1.248 10 10 DDCE COc1cc(Cl)cc(CN[C@@]2(C)CCS(=O)(=O)C2)c1O 229050377 JMKQQAZAXJDULX-ZDUSSCGKSA-N 319.810 1.721 10 10 DDCE O=C(NCc1cccc(O)c1O)c1nnc(-c2ccco2)o1 1651175900 SBLBPVOBXLTBER-UHFFFAOYSA-N 301.258 1.671 10 10 DDCE CC(=O)NC/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1 1689185561 NDVFQIACQJWKMG-ZAWARTOJSA-N 303.322 1.271 10 10 DDCE CN(C)c1ccc(CNCCC(=O)NC[C@H]2CCCO2)cc1 1857858806 IBVNBFHBPTVGAV-MRXNPFEDSA-N 305.422 1.528 10 10 DDCE CN(Cc1cccc(Br)c1O)[C@H]1CCC(=O)NC1 1970972724 ZPDIDMXNCFBVIG-JTQLQIEISA-N 313.195 1.865 10 10 DDCE CC(C)(C)OC(=O)N1CC=CC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980941477 WGGTYNOYHZHLDA-JHJVBQTASA-N 322.405 1.818 10 10 DDCE Cn1nnc(Br)c1CN1CCC[C@@H]1CN=[N+]=[N-] 2009443162 NTTAYZPCXJDGLC-SSDOTTSWSA-N 300.164 1.852 10 10 DDCE C[C@H](N)c1ccc(N(C)CC(CO)CO)cc1Br 2033019856 UBNIPQHHCSFUBB-VIFPVBQESA-N 317.227 1.506 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]4C3)c(Br)cc21 379555665 GYLYIOMVPIMWPP-KEHGIVTQSA-N 308.179 1.857 10 10 DDCE CC[C@H](NC[C@H](O)[C@@H](C)O)c1cc(Br)ccc1O 717319678 WHCTXZZCZZJBPR-WLTAIBSBSA-N 318.211 1.937 10 10 DDCE Cn1nccc1[C@@H]1C[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 2063604228 PAJAEUUCZQDXKW-NWDGAFQWSA-N 301.346 1.294 10 10 DDCE COc1ccc([C@H](C)n2ncc(C(=O)NC3CC3)c2O)c(O)c1 2070492241 OWVIVJJXRJRRKX-VIFPVBQESA-N 317.345 1.804 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1O 2170657781 RYTIPXQJWQCIHF-GARJFASQSA-N 301.408 1.703 10 10 DDCE CCOCCS(=O)(=O)CCC(=O)Nc1ccc(N)cc1 2184221210 CYRODMCNSSAKJP-UHFFFAOYSA-N 300.380 1.049 10 10 DDCE CC(C)OCC[S@@](=O)C[C@H](O)COc1ccc(N)cc1 2184700726 NSRBNOSMYKTBLV-ZUOKHONESA-N 301.408 1.182 10 10 DDCE CCN(c1ccc(CN)cc1Br)[C@@H]1CCNC1=O 2051532255 WHXIWEZVRNFPGG-GFCCVEGCSA-N 312.211 1.623 10 10 DDCE CN1C[C@@H](N(C)Cc2cc(Br)ccc2O)CC1=O 2068190392 LJGRLULUYHWVQH-NSHDSACASA-N 313.195 1.817 10 10 DDCE COC1CC(CO)(NCc2cc(Br)ccc2O)C1 2077894728 NXHOLJQLISBWFM-UHFFFAOYSA-N 316.195 1.784 10 10 DDCE CO[C@@H]1CN(c2ccc(CN)cc2Cl)[C@H](CO)[C@H]1OC 2233359703 ZTUNWYJFTLHSFI-MGPQQGTHSA-N 300.786 1.010 10 10 DDCE CNCc1cc(OC)ccc1N(C)[C@@H](C)CS(C)(=O)=O 2235953912 HWWXOAZVECMELD-NSHDSACASA-N 300.424 1.284 10 10 DDCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)C2CC3(C2)OCCO3)CC1 2263524512 YDWGXZYXAPSGPA-SNVBAGLBSA-N 316.383 1.387 10 10 DDCE CSc1ncc(CNCc2ccc(C(=N)NO)cn2)s1 2284681445 FFQWVFSOBZAADQ-UHFFFAOYSA-N 309.420 1.854 10 10 DDCE COC(=O)c1cnc(S[C@H]2CC[C@H](S(C)(=O)=O)C2)s1 2342085137 SAWAERFPCRWJKR-YUMQZZPRSA-N 321.445 1.988 10 10 DDCE Cc1ccc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(O)c1O 179524300 YEJVHRCOPNIONE-GXTWGEPZSA-N 320.389 1.199 10 10 DDCE COc1nc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n[nH]1 179365381 DIJOUDIDCONFEB-UHFFFAOYSA-N 312.333 1.868 10 10 DDCE CCOC(=O)c1nc(NN(C)S(=O)(=O)CC)sc1CC 2365339862 SHPPJSWNSGXXQI-UHFFFAOYSA-N 321.424 1.491 10 10 DDCE N[C@@H](CO)c1cc(Br)cc(Br)c1O 72199842 KSCCPMAIXJLQPD-ZETCQYMHSA-N 310.973 1.909 10 10 DDCE O=C(NCc1cccnc1-n1cncn1)c1cccc(O)c1O 192985718 XHRHIRKZBWTIEC-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE COc1nnc(NCc2ccc(N3CCN(C)CC3)cc2)s1 806668949 GOOXADHKTLENDM-UHFFFAOYSA-N 319.434 1.911 10 10 DDCE COC(=O)COc1ccc(N(C)Cc2nccnc2OC)cc1 295457267 QPMGWOBPILISGM-UHFFFAOYSA-N 317.345 1.673 10 10 DDCE Cc1cc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)nc(C)n1 832278905 GBHLKKLHTCMRRI-OAHLLOKOSA-N 313.405 1.589 10 10 DDCE NCc1ccc2c(c1)CCCN2CC(=O)NC[C@@H]1CCCO1 843349803 DGFLVYMIUQKFIO-HNNXBMFYSA-N 303.406 1.193 10 10 DDCE CN(C)CCN1CCN(Cc2ccc(N(C)C)c(F)c2)CC1=O 846010163 CLRNKALHZQEABY-UHFFFAOYSA-N 322.428 1.098 10 10 DDCE C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1CN 923494532 YPMGPDVCMIGEQI-DOTOQJQBSA-N 303.450 1.940 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCC[C@H](NCCO)C2)c1O 923404597 YXWAYGGCBYZZIV-AWEZNQCLSA-N 310.369 1.280 10 10 DDCE CN1CCCc2cc(CNc3cc(=O)n(C)c(=O)n3C)ccc21 853239923 FGKZUCTVIIBHNK-UHFFFAOYSA-N 314.389 1.079 10 10 DDCE CCOC1CC2(C1)C[C@H]2C(=O)NCCc1ccc(O)c(O)c1 866757166 LEJCENICAOORQW-JZLYGMAVSA-N 305.374 1.962 10 10 DDCE Cc1cc(N(C)C)ccc1CN1CCN(c2nccnn2)CC1 862438919 DESNRNSECZDISL-UHFFFAOYSA-N 312.421 1.568 10 10 DDCE O=C(CCCN1C(=O)CCC1=O)N1Cc2cccc(O)c2C1 871198667 MQVIHWFWOQPICJ-UHFFFAOYSA-N 302.330 1.164 10 10 DDCE COC(=O)C(C)(C)N1CCN(Cc2cc(F)ccc2O)CC1 779191048 OSCHMQQJBZAUIT-UHFFFAOYSA-N 310.369 1.601 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CC(C(F)F)C2)cc1 706434215 RGZWICUHIYVVCQ-UHFFFAOYSA-N 306.334 1.174 10 10 DDCE Cc1cccc(C[C@H](CO)NC(=O)Cc2ccc(O)c(O)c2)c1 1154327906 PKSKLUJRTUQGRU-OAHLLOKOSA-N 315.369 1.669 10 10 DDCE CCO[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@H](CN=[N+]=[N-])C1 1912200938 NMDYOEINDRMOOM-IJLUTSLNSA-N 302.400 1.211 10 10 DDCE CC[C@@H](C)C(=O)N(C)C[C@H](O)CNCc1ccc(OC)c(C)c1 1486262220 VJLTZTHUJOUOJU-CZUORRHYSA-N 322.449 1.959 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC(=O)[C@H]1C[C@H]2CC[C@H]1C2 1558311630 USUMOYPBFGAFEL-DRZSPHRISA-N 303.358 1.762 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCNC1=O 1624630465 QNQZBQHAEDZJBU-OAHLLOKOSA-N 301.390 1.381 10 10 DDCE CCOC(=O)c1cnc(NC(=O)Cc2ccc(O)c(O)c2)[nH]1 1638536491 LATZPSOGUJRXCN-UHFFFAOYSA-N 305.290 1.179 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(CO)c(CO)c1 1630586002 BAWNIYBBQBNMAG-UHFFFAOYSA-N 303.314 1.264 10 10 DDCE CC(C)(C)N1CC[C@](F)(C(=O)NCc2c(O)cccc2O)C1 1597574931 VTYWPIKBASMOPW-MRXNPFEDSA-N 310.369 1.927 10 10 DDCE O=C(/C=C\c1ccncn1)NCc1ccc(N2CCOCC2)cc1 1772910433 IVAHAEUBCNOORU-UTCJRWHESA-N 324.384 1.643 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1 1961042854 GSMATNSSYJVRSR-SRVKXCTJSA-N 310.394 1.652 10 10 DDCE O=c1c(O)c(-c2ccccc2)oc2c(O)c(O)c(O)c(O)c12 14645330 RNKSNQNKTRGJSZ-UHFFFAOYSA-N 302.238 1.988 10 10 DDCE biogenic,in-vitro C[C@@H]1C(=O)NC(=O)CN1c1ccc(/C=C/C(=O)O)cc1Cl 164392115 QOHYCRRDOFOPIO-RYEJSQLPSA-N 308.721 1.289 10 10 DDCE Nc1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1 152548260 XWPOHESNUOFZIN-UHFFFAOYSA-N 323.352 1.224 10 10 DDCE CN(Cc1ccc(Br)cc1O)[C@@H]1CCCNC1=O 1963337591 OAOJWZYVFDXISM-LLVKDONJSA-N 313.195 1.865 10 10 DDCE CN(CCN(C)C(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1885557496 PZSVLRVYKURVBL-UHFFFAOYSA-N 300.363 1.805 10 10 DDCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)CCN=[N+]=[N-] 1885563414 UIQGZWDZPROJDS-RKDXNWHRSA-N 301.347 1.029 10 10 DDCE OCc1ccc(N2C[C@H](F)[C@@H](CO)C2)c(Br)c1 2008015830 FKKLISUKVFNSIV-KOLCDFICSA-N 304.159 1.708 10 10 DDCE O=C1Nc2cc(N3CC[C@@H]3CO)c(Br)cc2[C@@H]1O 2031674441 BPLIZSNJHCBHAR-KBUNVGBDSA-N 313.151 1.006 10 10 DDCE CNCc1ccc(N2C[C@H]3[C@H](O)C[C@H]3C2)c(Br)c1 2033979075 YMVAAEDOVLZFAQ-MISXGVKJSA-N 311.223 1.986 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@@]3(C)CCCC[C@@H]3O)c2n1 2064057545 ZIEDWWVZOWQPPE-BLLLJJGKSA-N 318.377 1.414 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)c2n1 2064081783 PXVPIEPPFOVDFT-QWHCGFSZSA-N 316.361 1.527 10 10 DDCE CNCc1ccc(N2CC(O)(C(F)F)C2)c(Br)c1 2052065051 WNQVXISFGDTLPS-UHFFFAOYSA-N 321.165 1.985 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1CCc2nncn2C1 2103715075 FLZLMTOXALTNPA-SNVBAGLBSA-N 323.194 1.851 10 10 DDCE CCN[C@](CSc1nccs1)(C(N)=O)C1(Cl)CC1 2085540816 LSSCDGACKFAAIC-LLVKDONJSA-N 305.856 1.840 10 10 DDCE O=C(Nc1nnc(Br)s1)c1ccc(O)c(O)c1 2213669361 KBPBRFHFBZHKGC-UHFFFAOYSA-N 316.136 1.964 10 10 DDCE C[C@H](N)c1cnc(Sc2nnnn2CC(F)(F)F)s1 2225655409 DJHMTACNKVFNDS-BYPYZUCNSA-N 310.330 1.863 10 10 DDCE C[C@H](Oc1cccc(C=C2SC(=S)N(N)C2=O)c1)C(=O)O 2294874670 NDWGGWLPHWEERQ-ZETCQYMHSA-N 324.383 1.613 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1Cl 2336343152 PHJYBDDLSGMCGT-JRKPZEMJSA-N 300.811 1.593 10 10 DDCE CCS(=O)(=O)N(C)Nc1nc(CCC(=O)O)c(C)s1 2339733603 XODDCQVNTRLILZ-UHFFFAOYSA-N 307.397 1.077 10 10 DDCE CC[C@H](C)N1CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 55065687 OJNMBNYVAOHGLO-ZDUSSCGKSA-N 311.451 1.515 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(Cl)c1 2361526139 TXYAVKLHOAFQEH-GLXFQSAKSA-N 314.838 1.854 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)Cc2nnc[nH]2)c([N+](=O)[O-])c1 172543662 SNTSDWZZFUKYSW-GQCTYLIASA-N 317.305 1.536 10 10 DDCE CN(Cc1cc(F)ccc1O)[C@@H]1CC[C@@H](S(C)(=O)=O)C1 2361664396 IEMGQJRTTNHWHL-CHWSQXEVSA-N 301.383 1.929 10 10 DDCE CN1CCN[C@H](c2cc(NC(=O)OC(C)(C)C)ccc2O)C1=O 1952164310 HUTFLWYKLJWOFS-CYBMUJFWSA-N 321.377 1.842 10 10 DDCE C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C/c1ccc(O)c(O)c1 245637207 ADZYILPFXWIJNB-RCOIXESOSA-N 304.390 1.910 10 10 DDCE CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCc1ccccc1O 389804281 ZOJRBXYIFKUSLI-SUYBPPKGSA-N 304.390 1.541 10 10 DDCE COc1cccc(CNS(=O)(=O)CC(C)(C)OC)c1O 290822265 TXNWEWGSUSYXBR-UHFFFAOYSA-N 303.380 1.245 10 10 DDCE CCN1CC[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1=O 801799848 MRABJBMJQDJQIY-CYBMUJFWSA-N 322.384 1.312 10 10 DDCE COC[C@@H]1C[C@@H](O)CN1Cc1ccc(N2CCN(C)CC2)cc1 846047191 KDZBRTXDYROEPL-ZWKOTPCHSA-N 319.449 1.020 10 10 DDCE Cc1cc(CN2CCN(CCN(C)C)C(=O)C2)ccc1N(C)C 844381196 JIJMJFPUMWKNSW-UHFFFAOYSA-N 318.465 1.267 10 10 DDCE COc1ccc(O)c([C@@H](C)NS(=O)(=O)CC2(F)CC2)c1 914153776 KKNWBROMPAFMKJ-SECBINFHSA-N 303.355 1.883 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@](O)(c2cc(O)c(O)cc2O)C1 687812511 IRKCWYZFXXSOGQ-HNNXBMFYSA-N 311.334 1.632 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](O)[C@H]3C)C2)cc1 854298294 ZTKKLAQDBGTPCW-XJKCOSOUSA-N 319.405 1.439 10 10 DDCE C[C@@H](CO[C@H]1CCOC1)NC(=O)NCc1c(O)cccc1F 921385783 CQGZNKPCAKDMLF-QWRGUYRKSA-N 312.341 1.525 10 10 DDCE C[C@H]1OC(=O)N[C@H]1C(=O)NCc1ccc2cccnc2c1O 862026676 WOFDOTUYCVPFEA-LDYMZIIASA-N 301.302 1.054 10 10 DDCE CC[C@H](NCc1nnn[nH]1)c1cc(Br)ccc1O 44927900 CHCRTXIBNCYXOI-VIFPVBQESA-N 312.171 1.909 10 10 DDCE CCc1c(C(=O)NCc2ccc(O)c(O)c2)[nH]c(C)c1C(N)=O 778918284 KFSTZAVVCRCAFX-UHFFFAOYSA-N 317.345 1.326 10 10 DDCE CCC(=O)N[C@H](CCSC)C(=O)N(C)c1ccc(N)cc1 877080007 DOHWVOPYGCGGMC-CYBMUJFWSA-N 309.435 1.880 10 10 DDCE CCOCc1cc(CNCCc2nnnn2C)ccc1OC 771878097 WPRKENVUIPLZDV-UHFFFAOYSA-N 305.382 1.088 10 10 DDCE CO[C@@](C)(CO)CNC(=O)c1cc2cc(O)c(O)cc2s1 898437470 WJOFWCVLHQIMCB-CQSZACIVSA-N 311.359 1.440 10 10 DDCE Cc1ccc(-c2nn(Cc3ccc(N)cc3)c(=O)[nH]c2=O)cc1 82720961 VRGFNMBPPNROCG-UHFFFAOYSA-N 308.341 1.538 10 10 DDCE O=C(CNC(=O)c1ccsc1)NCc1ccc(O)cc1O 1162277946 DUDBVRKKWAVNJG-UHFFFAOYSA-N 306.343 1.206 10 10 DDCE Cc1cc(Cn2nnnc2N(C)Cc2ccccc2O)no1 1334509620 PHZJEGAOJWWGLF-UHFFFAOYSA-N 300.322 1.360 10 10 DDCE CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2C[C@@H]2C)cc1 1257234819 XBIUQNYFGBSRBI-ZFWWWQNUSA-N 317.433 1.921 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@@H](Cn2cncn2)C(=O)O)cc1 1350666182 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CC(=O)N[C@H]1CCN(c2ccc(CN)cc2Br)C1 133621393 UUNVBEJAFXVGRL-NSHDSACASA-N 312.211 1.623 10 10 DDCE COC[C@H](O)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1 90949133 FYGKXPSINRLAMG-WMLDXEAASA-N 308.422 1.571 10 10 DDCE CC(=O)N(C(=S)NCc1cnccn1)c1ccc(N)cc1 243332556 LPRLURYDOSDXQN-UHFFFAOYSA-N 301.375 1.486 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1cc2c(cn1)OCCO2 819382552 OIIVKSZHXHMFOZ-UHFFFAOYSA-N 300.314 1.831 10 10 DDCE Cn1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)n1 727245699 BPDFTPRRZCMWMX-UHFFFAOYSA-N 321.387 1.739 10 10 DDCE COc1ccc(O)c(CN2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1 824653705 FZPYHRORVMPYCX-XPKDYRNWSA-N 307.390 1.763 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@]3(C(=O)O)C[C@H]3C)C2)cc1 902047243 YQBWFSOQHFGAAZ-QFSBIZTOSA-N 318.373 1.501 10 10 DDCE COc1ccc(O)c(CNC(=O)/C=C(/C)CN2CCOCC2)c1 901130407 IAMDSZMOWHQVFN-LCYFTJDESA-N 320.389 1.296 10 10 DDCE O=C(NCc1ccccc1O)NC[C@@H]1CCN1C1CCOCC1 915525479 PEEQWNLJFRMZKM-HNNXBMFYSA-N 319.405 1.445 10 10 DDCE CC[S@](=O)CCNC(=O)NCc1ccc(N2CC=CC2)cc1 740917065 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317.227 1.914 10 10 DDCE CN1[C@H]2CC[C@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 245735511 QTYPIIDTAIHIJA-VBMNXFDGSA-N 302.374 1.806 10 10 DDCE Cn1cc(OC(=O)/C=C\c2ccc(N3CCOCC3)cc2)cn1 255056632 OMHWLGMKQFELJL-DAXSKMNVSA-N 313.357 1.876 10 10 DDCE COc1ccc(O)c(CN2CCC(CO[C@H]3CCNC3)CC2)c1 530248363 JXWJQRHVPSKJMV-KRWDZBQOSA-N 320.433 1.991 10 10 DDCE COc1cccc(CN2CCC[C@H](c3ccnc(N)n3)C2)c1O 367656574 DDNWQYMBPLJQSR-LBPRGKRZSA-N 314.389 2.153 10 10 DDCE CC[C@H](O)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 822614314 RDDBGLYYIXVYOS-ZDUSSCGKSA-N 310.369 1.440 10 10 DDCE CN(Cc1ccccc1O)C(=O)NCCO[C@H]1CC1(F)F 821450177 GDHFLBCHHZXXQG-LBPRGKRZSA-N 300.305 1.958 10 10 DDCE CN(Cc1cnc(N(C)C)nc1)C(=O)c1c(F)ccc(O)c1O 828073087 JWFFILFYCRDDEX-UHFFFAOYSA-N 320.324 1.365 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)COC1CCC(N)CC1 825942631 GCZVOYXLONZRJJ-UHFFFAOYSA-N 319.449 1.998 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cc1 831003856 HSYIKIOAHGCLCY-QWHCGFSZSA-N 305.378 1.805 10 10 DDCE CN(C)c1ccc(/C=C/CNCCC(=O)N2CCOCC2)cc1 835034498 AQTCMGSZTKNLTR-ONEGZZNKSA-N 317.433 1.604 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@](O)(C(F)F)C2)cc1 836229323 BIUNVWCRAWTWDD-OAHLLOKOSA-N 313.348 1.664 10 10 DDCE Nc1ccc(CC(=O)N2CCn3c(CC4CC4)nnc3C2)cc1 846689870 XJWXEDNWZJLULJ-UHFFFAOYSA-N 311.389 1.398 10 10 DDCE OCCO[C@]1(CNCc2c(O)ccc(Cl)c2F)CCOC1 850358287 MZOPOKJGUIFTJI-AWEZNQCLSA-N 319.760 1.442 10 10 DDCE Cc1cncc(CCNC(=O)NCc2ccc(N(C)C)cc2)n1 852607447 JNMJVXAUMFDKFO-UHFFFAOYSA-N 313.405 1.893 10 10 DDCE COc1cc(N(C)C[C@@H]2C[C@H]3COC[C@@H]3O2)cc(OC)c1OC 929707385 LKUNUHXMGCTYGD-RBOXIYTFSA-N 323.389 1.953 10 10 DDCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H](O)C1CCC1 856209146 WYDBPRQGBOMYNF-QGZVFWFLSA-N 318.417 1.425 10 10 DDCE C[C@H](NC(=O)N[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1 776129243 VQNBOFSCCPDPRO-FZMZJTMJSA-N 304.394 1.391 10 10 DDCE C[C@@H]1C[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 1117083958 JOXOPVVLXGAODU-TZMCWYRMSA-N 303.406 1.483 10 10 DDCE C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)c3cccc(O)c3O)O2)[C@@H]1C 899485515 UDTSHEVJSLNKKR-XSLLRJJBSA-N 321.373 1.800 10 10 DDCE CCOC(=O)c1nn(Cc2ccc(N(C)C)cc2)c(N)c1C#N 82822774 WDEXSJCTHAEAEA-UHFFFAOYSA-N 313.361 1.628 10 10 DDCE COc1cc(C)cc(CN2CC(C3CS(=O)(=O)C3)C2)c1O 895424324 UNYKSTNDYWBICA-UHFFFAOYSA-N 311.403 1.186 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@H]2CCCSCC2)cc1 709581273 BUKXEKBHICIYMR-ZDUSSCGKSA-N 300.449 1.974 10 10 DDCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1cc(Br)cs1 85224619 ZMYBSPIIHUYQBE-ZETCQYMHSA-N 304.173 1.937 10 10 DDCE CCN[C@@H](C)c1ccc(N(C)CCS(C)(=O)=O)cc1O 94298847 ZPBRPDNADQBPIY-NSHDSACASA-N 300.424 1.544 10 10 DDCE O=C(NCCOc1ncccc1F)NCc1c(O)cccc1F 1224490181 SQOWIGJTUMTUCN-UHFFFAOYSA-N 323.299 1.944 10 10 DDCE CCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1CCCOC1 1329498409 ZLAHDYOBAZMJTF-CYBMUJFWSA-N 318.373 1.262 10 10 DDCE CCC(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1502392985 JWWFJINFMMOBEK-SECBINFHSA-N 305.338 1.494 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)Cc2c(O)ncnc2O)c1 1465991350 BWGXMORTEUDSIS-MRVPVSSYSA-N 319.317 1.022 10 10 DDCE C[C@@H](NC(=O)CSc1cccc[n+]1[O-])c1ccccc1O 1471195719 MTMWBVPEKLKYIJ-LLVKDONJSA-N 304.371 1.995 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCOc1ncccc1F 1545905192 SHEHOZPJWBPIAP-UHFFFAOYSA-N 306.293 1.370 10 10 DDCE C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nn(C)cc1O 1472237415 RAQHGBOZEWPFQS-OTQAPUNGSA-N 303.318 1.428 10 10 DDCE O=C(CNC(=O)c1ccncc1)NCc1cc(Cl)ccc1O 1557387123 PKBFWYKFAUAYLA-UHFFFAOYSA-N 319.748 1.487 10 10 DDCE CC(C)OC[C@H](CO)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1638613572 FAGOELFDONSGGX-ZDUSSCGKSA-N 322.365 1.707 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2cnco2)cc1C 1491541986 AQDUAWYPQHXSRL-LBPRGKRZSA-N 303.362 1.900 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@H]1[C@H]1CCCO1 1640422453 SYNNUGMAGAQDHB-SWLSCSKDSA-N 307.346 1.047 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2c[nH]nc2C)cc1C 1731611079 NQXPHLSMVMKBMO-LBPRGKRZSA-N 316.405 1.943 10 10 DDCE COC(=O)c1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)ncn1 1650960284 RHAVAGWTRVSIOZ-VIFPVBQESA-N 303.318 1.718 10 10 DDCE CNCc1ccc(N2CCCNC(=O)C2)c(C(F)(F)F)c1 163725229 RGMQEASOQYRWJG-UHFFFAOYSA-N 301.312 1.751 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1 157943800 ZHJNCQUKALPFKE-CHWSQXEVSA-N 310.419 1.709 10 10 DDCE C[C@H](CNC(=O)COc1ccc(N)cc1)CC1(C)OCCO1 1876429719 MFXWAWPDBVRMNQ-LBPRGKRZSA-N 308.378 1.553 10 10 DDCE COc1ccc(N2CCN(C(=O)CO[C@H]3CCOC3)CC2)cc1 1323024411 GMWIPHKVARJIHY-INIZCTEOSA-N 320.389 1.149 10 10 DDCE COc1ccc(Br)c(CNC2(CO)CC2)c1O 1964562412 MINNIYYTWSWTCZ-UHFFFAOYSA-N 302.168 1.778 10 10 DDCE CS(=O)(=O)N1CCC(NCc2ccc(F)cc2O)CC1 1964544341 DGBIQTPWNKLHDR-UHFFFAOYSA-N 302.371 1.045 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N(CCCO)Cc1ccccc1 1988088377 DGMLFDBASXEFIL-UHFFFAOYSA-N 317.341 1.828 10 10 DDCE CCNCc1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)c(F)c1 36870453 BUWHGRURPASADN-GFCCVEGCSA-N 300.399 1.559 10 10 DDCE OC[C@H](O)C1(NCc2cccc(Br)c2O)CC1 2015902191 XNPMDOIHYUINQU-JTQLQIEISA-N 302.168 1.130 10 10 DDCE OCc1ccc(N2C[C@H]3OCCO[C@@H]3C2)c(Br)c1 2032411496 HSRQWTRCQDQBEI-CHWSQXEVSA-N 314.179 1.545 10 10 DDCE CCN1CCN(c2ccc(CN)c(Br)c2)CC1=O 2040924609 HKTTVEFJAZPAFN-UHFFFAOYSA-N 312.211 1.576 10 10 DDCE CNCc1ccc(N2CCS(=O)(=O)[C@@H](C)C2)cc1Cl 706912687 PAXWDBHWQCROKB-JTQLQIEISA-N 302.827 1.683 10 10 DDCE CN(C[C@@H](F)C(F)(F)F)S(=O)(=O)Cc1ccc(N)cc1 2179760594 GYKONUZBMVVOJL-SNVBAGLBSA-N 314.304 1.931 10 10 DDCE Oc1cccc(Br)c1CN[C@H]1CCc2nncn2C1 2103718412 PEWRGTLCNJFPCO-VIFPVBQESA-N 323.194 1.851 10 10 DDCE CCCS(=O)(=O)CCNCc1cccc(OCC)c1O 2204664346 JYTFPGSKVKBDMN-UHFFFAOYSA-N 301.408 1.705 10 10 DDCE O=S(=O)(CCCNCc1ccc(O)c(O)c1)C(F)(F)F 2286426654 HCTISWWEKFPNLY-UHFFFAOYSA-N 313.297 1.512 10 10 DDCE CN(C)C(=O)CN(C(=O)/C=C/c1cnccn1)c1ccccc1 493214032 FHKFDMWGMIMLGI-CMDGGOBGSA-N 310.357 1.611 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@@H]1CCOC1 2303406931 NYQIDHZUJASSFN-OAHLLOKOSA-N 302.374 1.442 10 10 DDCE NCc1ccc(N2C[C@H](C(N)=O)C3(CC3)C2)cc1Br 2344334662 NWSXGWBFPKQKDA-LLVKDONJSA-N 324.222 1.610 10 10 DDCE COc1ccc(CCN/C=C2\C(=O)N(C)C(=O)N=C2O)cc1 103115198 LLXMTVHBJVZQSG-XFXZXTDPSA-N 303.318 1.260 10 10 DDCE COc1ccc(N2CCN(C(=O)C[C@@H]3CCC[C@H]3N)CC2)cc1 405292037 ICKMKKBEABNEFZ-WMLDXEAASA-N 317.433 1.861 10 10 DDCE Cc1cc(I)c(O)c([C@H](N)C(=O)O)c1 72197104 RPGCYTNJDSLLIL-ZETCQYMHSA-N 307.087 1.390 10 10 DDCE C[C@@H](O)c1cc(F)c(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)c(F)c1 2361599366 SNVAMKSWJJNELA-VFWDIBGWSA-N 303.330 1.251 10 10 DDCE CCCC(=O)N[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 188355121 GWGYRWAQUPQIJA-NSHDSACASA-N 306.362 1.619 10 10 DDCE C[C@@H](NCCNS(C)(=O)=O)c1cc2c(cc1O)CCCC2 185164899 IFZSDACZKNZYCV-LLVKDONJSA-N 312.435 1.471 10 10 DDCE CS(=O)(=O)c1cccc(C(=O)NCc2ccccc2O)c1 133794246 HTXWRRMBQJZGNL-UHFFFAOYSA-N 305.355 1.726 10 10 DDCE CC(C)(C)OC(=O)N1CCN[C@H](c2cc(O)c(O)c(O)c2)C1 1952217855 MFSHQFWIFNFXJF-JTQLQIEISA-N 310.350 1.685 10 10 DDCE O=C(O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(O)c(O)c2)C1 86773214 DUWZHHMSUWJGSO-GFCCVEGCSA-N 305.252 1.937 10 10 DDCE CC(=O)Nc1ccc(NC(=O)CN2C(=O)CSC2=S)cc1 82334327 QHHHKSYBTVWNCQ-UHFFFAOYSA-N 323.399 1.444 10 10 DDCE O=C(c1ccc(O)c(O)c1)N1CCN(C(=O)c2ccco2)CC1 253458289 HVFKTZFKTMRVSI-UHFFFAOYSA-N 316.313 1.289 10 10 DDCE Oc1cc(F)c(Cl)cc1CNCCN1CCCOCC1 293779013 BPQYXWBKESVALV-UHFFFAOYSA-N 302.777 1.997 10 10 DDCE COc1ccc(O)c(CN2CCO[C@H](CCCN(C)C)C2)c1 827857248 ZOLSGNNMNNALCF-MRXNPFEDSA-N 308.422 1.943 10 10 DDCE COc1ccc2c(c1)CCN2C[C@@H](CN)Cc1cnn(C)c1C 903873158 LJMFSNREADAKAE-CQSZACIVSA-N 314.433 1.917 10 10 DDCE COc1ccc(N2CCN(C(=O)CC3COC3)CC2)c(OC)c1 913482064 DRHYAOMGUDDCLI-UHFFFAOYSA-N 320.389 1.389 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@]1(C(=O)O)c1ccc(O)c(O)c1 1952678605 UFBKOELZTDQVOQ-IAQYHMDHSA-N 309.318 1.717 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@H](CF)C1=O 842264961 OXBMFHYUKKNTSD-SMDDNHRTSA-N 307.369 1.882 10 10 DDCE C[C@H]1CN([C@H](C)CNCc2cc([N+](=O)[O-])ccc2O)C[C@@H](C)O1 848561799 CJGUMAAQSFNPQM-UPJWGTAASA-N 323.393 1.888 10 10 DDCE Cc1cc(CCNC(=O)N2Cc3cccc(O)c3C2)nn1C 926388230 CNMDGFBCHFVPMO-UHFFFAOYSA-N 300.362 1.702 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCCOC(C)C)C2)cc1 852253308 VVWGLRMFBSTZCH-AWEZNQCLSA-N 321.421 1.998 10 10 DDCE CCn1ncc(CN[C@@H](C)c2cc(C(=O)OC)ccc2O)n1 858444993 XASQUGZMRNSCTD-JTQLQIEISA-N 304.350 1.641 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 854947595 BGXHQQBMPFGZFE-WFASDCNBSA-N 318.421 1.132 10 10 DDCE CCCN(C)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855231123 KIOUPHORKLSOIW-AWEZNQCLSA-N 305.422 1.732 10 10 DDCE NC(=O)C[C@H]1CN(Cc2cc3c(cc2O)CCCC3)CCO1 863325756 FFEROVAUXIXUNH-HNNXBMFYSA-N 304.390 1.347 10 10 DDCE CC(=O)N1CCC(NC(=O)N[C@@H](C)c2ccccc2O)CC1 864425259 XUUNMRDWVMHMKE-NSHDSACASA-N 305.378 1.763 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1nn[nH]n1 865027423 OZSCGKNZCSZCNR-UHFFFAOYSA-N 302.382 1.247 10 10 DDCE COC(=O)c1cc(OCCCS(C)(=O)=O)ccc1N(C)C 865396131 LGOYOKXGSMGBIE-UHFFFAOYSA-N 315.391 1.353 10 10 DDCE Cc1occc1C(=O)NCC(=O)N1Cc2cccc(O)c2C1 871203449 AKNZFSMTPGWGBG-UHFFFAOYSA-N 300.314 1.566 10 10 DDCE C[C@H](NC(=O)c1ccoc1)C(=O)N1Cc2cccc(O)c2C1 871200833 JVWFYUYUJAFLEX-JTQLQIEISA-N 300.314 1.646 10 10 DDCE Cc1ccccc1-n1c(C)cc(C(=O)NC[C@](C)(O)CO)c1C 798264451 GJMWMVYTMUDYLJ-SFHVURJKSA-N 316.401 1.876 10 10 DDCE O=S1(=O)CC(NCc2c(O)cccc2Br)C1 706809755 LXLBNDFDDDZWLY-UHFFFAOYSA-N 306.181 1.041 10 10 DDCE CCN(CC)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1144408404 DYRZCHYGBVDHRT-UHFFFAOYSA-N 306.406 1.973 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)cc1O 1142533443 KNTZVTCQSNJXFU-VIFPVBQESA-N 310.350 1.627 10 10 DDCE Cc1cc(Br)c(O)c(CNC[C@](C)(O)CO)c1 794749050 WZQPDUXRNBBFLK-LBPRGKRZSA-N 304.184 1.296 10 10 DDCE COc1ccc(CNC[C@H](C)N(C)C(=O)[C@H](O)C(C)C)cc1C 1319453509 PCOIQRSCVWHVTN-WMLDXEAASA-N 322.449 1.957 10 10 DDCE OCCO[C@]1(CNCc2ccc(N3CCCC3)cc2)CCOC1 1329556657 HOKDOCAYVKFTCA-SFHVURJKSA-N 320.433 1.544 10 10 DDCE CC1(C)[C@H]2CN(C(=O)C(=O)N3Cc4cccc(O)c4C3)C[C@H]21 1332020416 BKQXGWCUXWTLHN-BETUJISGSA-N 300.358 1.349 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1ccc(Cc2nc[nH]n2)cc1 1445899602 HADAJQDSQTWEQU-UHFFFAOYSA-N 324.340 1.737 10 10 DDCE CN(CCS(C)(=O)=O)c1ccc(CN)c(Br)c1 228154255 CBNYONSHIPPZHN-UHFFFAOYSA-N 321.240 1.389 10 10 DDCE COc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1O 1631543562 VPXMUXKKBSRYGC-UHFFFAOYSA-N 303.314 1.671 10 10 DDCE COCCNCc1ccc(N2CCN(C)C(=O)C2)c(Cl)c1 164111993 LFZVSHYHVYPLJX-UHFFFAOYSA-N 311.813 1.354 10 10 DDCE NC(=O)c1ccc(/C=C/C(=O)NCc2ccc(O)c(O)c2)cc1 159125165 INABSLKDPINQPX-XBXARRHUSA-N 312.325 1.526 10 10 DDCE Oc1ccc2c(c1)O[C@@H]1c3ccc(O)c(O)c3CO[C@@H]1[C@H]2O 257379584 AQPFFYOIRKEBDI-ARFHVFGLSA-N 302.282 1.869 10 10 DDCE C[C@@H](NCCNS(=O)(=O)C(F)F)c1ccc(F)cc1O 1964516750 VLQIUSCAYHCGLZ-SSDOTTSWSA-N 312.313 1.324 10 10 DDCE CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 151328528 DTIMBIDQGLQCCZ-LBPRGKRZSA-N 318.826 1.559 10 10 DDCE CCCCN(C)S(=O)(=O)NCCc1ccc(O)c(O)c1 2148015921 MCNZSKUNXBNBOS-UHFFFAOYSA-N 302.396 1.207 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)CCc1ccc(N)cc1 1977673390 ZNDWGKCGPJKWNR-ZIAGYGMSSA-N 319.405 1.983 10 10 DDCE CC1CC(NC(=O)OC(C)(C)C)(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980377928 QLFYRXMLXDHWKN-PHFHNXQFSA-N 324.421 1.945 10 10 DDCE CCO[C@@H]1C[C@H](N)[C@@H]1Nc1c(N)cccc1Br 2016954714 HHXYIARNEXGTLP-UMNHJUIQSA-N 300.200 1.948 10 10 DDCE CCS(=O)(=O)C[C@@H](C)NCc1cc(Cl)cc(OC)c1O 2170598474 XRCZYWZXXRLFAX-SECBINFHSA-N 321.826 1.967 10 10 DDCE CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NCc1c(O)cccc1O 1558533324 CGCBYLIEQKRNCG-LBPRGKRZSA-N 320.389 1.751 10 10 DDCE CSc1ncc(CNC(=O)[C@@]23CC[C@@](CN)(C2)OC3)s1 2284494254 LKTNTFNBRHDPFY-STQMWFEESA-N 313.448 1.379 10 10 DDCE COC[C@]1(O)CCN(c2cc(Cl)c(OC)cc2OC)C1 2285875663 PLHFICJVIOERJX-AWEZNQCLSA-N 301.770 1.945 10 10 DDCE COc1cc(OC)c(N2CCC[C@@](O)(CN)C2)cc1Cl 2285851635 RREPFVSUOQHSBI-CQSZACIVSA-N 300.786 1.647 10 10 DDCE Cc1cccc(N(CCC(N)=O)C(=O)/C=C/c2cnccn2)c1 491350535 KGKXJCCXVOESGR-AATRIKPKSA-N 310.357 1.707 10 10 DDCE Cc1ccc(CNC[C@H]2COC[C@@H]2O)c(O)c1Br 2327626963 QUBOJNORBNDUNZ-QWRGUYRKSA-N 316.195 1.560 10 10 DDCE Cc1ccc(CN=c2[nH]cncc2N)c(O)c1Br 2327796526 IOWQNOVLKJKXLO-UHFFFAOYSA-N 309.167 1.869 10 10 DDCE CCc1cccc(CC)c1NC=C1C(=O)NC(=S)NC1=O 59384064 HTXMUNNWQDXXSJ-UHFFFAOYSA-N 303.387 1.638 10 10 DDCE COc1ccc(N2CCN(C(=O)NCCN(C)C)CC2)cc1 26167803 BGFQALRPQNDUKA-UHFFFAOYSA-N 306.410 1.088 10 10 DDCE COc1cccc(CN2CCN(c3cc(C)[nH]n3)CC2)c1O 189021250 HIODLCFVAMUBDL-UHFFFAOYSA-N 302.378 1.755 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 80144567 BLLBSLXLIWSIQJ-YWPYICTPSA-N 310.419 1.756 10 10 DDCE CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2O)n1 191845644 JUVUTISCQYCPAQ-UHFFFAOYSA-N 304.306 1.789 10 10 DDCE CC(=O)C(=O)COC(=O)c1nnn(-c2cccc(Cl)c2)c1C 808507328 IHIJHMSHTKQXPS-UHFFFAOYSA-N 321.720 1.544 10 10 DDCE COc1ccc(C)cc1-n1ccc(C(=O)OCC(=O)C(C)=O)n1 808508488 CWWBMDDLKFTURL-UHFFFAOYSA-N 316.313 1.504 10 10 DDCE Cc1cc(Cl)cc(CNCCS(=O)(=O)N(C)C)c1O 290872726 KHXOLKBQSSCODZ-UHFFFAOYSA-N 306.815 1.335 10 10 DDCE COc1cc(N2C[C@H]3COC[C@@H](C2)O3)c([N+](=O)[O-])cc1OC 800885975 RFBFTQZOWSECBM-AOOOYVTPSA-N 310.306 1.216 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@H]3CCNC(=O)CC3)ccc21 815152028 XPPXRWFFNYBASB-CQSZACIVSA-N 315.417 1.602 10 10 DDCE C[C@@H](NC[C@@]1(CO)COCCN1C)c1ccc(N(C)C)cc1 903277483 ANOFPXIDLHAELO-RHSMWYFYSA-N 307.438 1.096 10 10 DDCE COC(=O)C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C 900572576 XGOZCWOKSLJKLX-RKDXNWHRSA-N 311.309 1.508 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNCCC2(CO)CCC2)c1O 846105806 YNEOSZDMHLXJHO-UHFFFAOYSA-N 310.350 1.951 10 10 DDCE C[C@H](N)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 841729805 JQRBFPCGXXZDBY-QWHCGFSZSA-N 306.410 1.058 10 10 DDCE CCCOc1ccc(CNC[C@]2(CO)COCCN2C)cc1C 922533435 MGRPFPGMLCWMSD-SFHVURJKSA-N 322.449 1.567 10 10 DDCE COc1cccc(CNC2CCC(N3CCNCC3)CC2)c1O 841087705 RBZSAAPEPLRSHE-UHFFFAOYSA-N 319.449 1.707 10 10 DDCE O=S(=O)(CCCN1CCCC1)NCc1c(O)cccc1F 921451592 SKCHFWXGEXDKGH-UHFFFAOYSA-N 316.398 1.437 10 10 DDCE COc1cc(C)cc(CN(C)C[C@H]2CCS(=O)(=O)C2)c1O 754742129 QLAYPRDZGHGDHV-GFCCVEGCSA-N 313.419 1.576 10 10 DDCE Nc1ccc(NC(=O)NCCN2C[C@H]3CCCCN3C2=O)cc1 850750976 ROBYSZVUWXMPAG-CQSZACIVSA-N 317.393 1.680 10 10 DDCE CC[C@@](C)(O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854302039 WXQGYDRGDAPZRA-SUMWQHHRSA-N 321.421 1.734 10 10 DDCE CC(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773023474 YMAKLGCCWHQFAO-WBMJQRKESA-N 303.406 1.941 10 10 DDCE Cc1cccc(CN2CCN(c3nccn(C)c3=O)CC2)c1O 775711494 BPFKAGSKQAIBGQ-UHFFFAOYSA-N 314.389 1.117 10 10 DDCE O=C(NCCN1CC[C@H](O)C1)c1cc2cc(O)c(O)cc2s1 899153484 DRLBUANHHFFEFP-JTQLQIEISA-N 322.386 1.109 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCC[C@H](O)C(F)(F)F)cc1 1139313103 YGGXRWRMSQVKCD-VIFPVBQESA-N 318.255 1.892 10 10 DDCE CC(C)C(=O)NCCNC(=O)c1cc2cc(O)c(O)cc2s1 895569306 SOWGUBPDPGAKTH-UHFFFAOYSA-N 322.386 1.815 10 10 DDCE COc1ccccc1[C@H](O)CNC(=O)c1c(F)ccc(O)c1O 790068886 IFUKVTLSRPDRJD-GFCCVEGCSA-N 321.304 1.709 10 10 DDCE Cc1ccc(C(N)=O)c(NC(=O)Cc2ccc(O)c(O)c2)c1 1144016068 RVFBWTRGVGQWDR-UHFFFAOYSA-N 300.314 1.686 10 10 DDCE C[C@H](N[C@H](C)c1nc(-c2nc[nH]n2)no1)c1ccccc1O 1308010185 JSEHWZXKDZUQLE-DTWKUNHWSA-N 300.322 1.972 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(CO)cc(CO)c1 1168671833 HAKOPDSDAXXTRG-RQOWECAXSA-N 315.325 1.734 10 10 DDCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@]1(CO)COCCN1C 1339192734 GWKBZXZZIAINNZ-GLJUWKHASA-N 320.433 1.532 10 10 DDCE [N-]=[N+]=NCC1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 1912148141 PUZIWJUOIQRJJO-LLVKDONJSA-N 300.384 1.360 10 10 DDCE COC(=O)CCS(=O)(=O)N1CCCC[C@H](CN=[N+]=[N-])C1 1912191571 SYEIYVUTLYZSDE-SNVBAGLBSA-N 304.372 1.292 10 10 DDCE C[C@H](NCCCO)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1282243911 YEVUVHFBJFUHHE-QWRGUYRKSA-N 321.381 1.328 10 10 DDCE COc1ccc(C(=O)C(=O)CC(=O)O)cc1Br 217261390 ZRCPGBCIWFFZBP-UHFFFAOYSA-N 301.092 1.684 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H]([C@H]2CCCO2)C1 1630474428 SZJWRMDFFJVIEA-HUUCEWRRSA-N 307.346 1.047 10 10 DDCE COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@H](C)OC)C2)cc1C 1491002145 DOGCPQBYNIXVNL-AEGPPILISA-N 306.406 1.775 10 10 DDCE O=C(Cc1ccc(-n2cnnc2)cc1)NCc1cc(O)ccc1O 1637125691 CEQXUAWGOPKTNA-UHFFFAOYSA-N 324.340 1.537 10 10 DDCE CN(C)C(=O)NCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1566428964 PMIOKWJYPWPYCO-UHFFFAOYSA-N 320.353 1.192 10 10 DDCE CN(C)C(=O)[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 1570318002 FGRQYNNXBYAOFZ-FUEXJSSKSA-N 304.346 1.048 10 10 DDCE COc1cccc(CNC(=O)[C@H](C)Cc2cnn(C)c2)c1O 1595799651 CMZQOQXXYFNEBR-LLVKDONJSA-N 303.362 1.629 10 10 DDCE [N-]=[N+]=NCCOCCOCC(O)COCCOCCN=[N+]=[N-] 201121105 CPDNRCLPYNVOBA-UHFFFAOYSA-N 318.334 1.034 10 10 DDCE CN(Cc1ccccc1)C(=O)CNC(=O)Cc1ccc(N)cc1 151437930 OZQNFMFDCFORCD-UHFFFAOYSA-N 311.385 1.586 10 10 DDCE CCN1CCN(/N=N/c2ccc3c(c2)OCC(=O)N3C)CC1 1860487684 JNBUGMNUFLHAQV-WUKNDPDISA-N 303.366 1.678 10 10 DDCE COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(O)c(O)c(O)c1 1865876448 LNPSTKPXLUOBNL-UHFFFAOYSA-N 320.257 1.973 10 10 DDCE O=S(=O)(C(F)F)C1CN(c2ccc(CO)c(Cl)c2)C1 2141747688 SWUVKXLVRASWPF-UHFFFAOYSA-N 311.737 1.658 10 10 DDCE CS(=O)(=O)C[C@H]1C[C@@H](NCc2cc(F)cc(F)c2O)C1 1974490859 SUGAQWXHPICIBC-DKTWLAJQSA-N 305.346 1.583 10 10 DDCE CN([C@H]1CCN(Cc2cccc(Cl)c2O)C1)S(C)(=O)=O 2146951814 GVDOOJNVOIRBSI-NSHDSACASA-N 318.826 1.511 10 10 DDCE C[C@@H](O)c1ccc(N(C)CCS(=O)(=O)N(C)C)c(F)c1 2151050060 NRTWTDLRYBXTLN-SNVBAGLBSA-N 304.387 1.207 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)NCc1ccc(N)cc1 1993328663 CZOWBJBNBXPSAW-LBPRGKRZSA-N 323.393 1.018 10 10 DDCE OC[C@H](O)C1(NCc2ccc(Br)cc2O)CC1 2015905995 SBQAFRHPTCVXOZ-NSHDSACASA-N 302.168 1.130 10 10 DDCE Oc1c(Br)cccc1CNC[C@@H](O)c1cnc[nH]1 2028280167 KTPNBLGHSCNVRC-LLVKDONJSA-N 312.167 1.701 10 10 DDCE Cn1cc([C@H](O)[C@H](N)c2ccccc2O)c(Br)n1 2031155303 VWMGUWVSFPQWNI-MNOVXSKESA-N 312.167 1.622 10 10 DDCE Cc1nnn(C)c1CNCc1cc(Br)ccc1O 2034960647 FTSBUJPMKZKVTJ-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE [N-]=[N+]=NCCCCNS(=O)(=O)c1cncc([N+](=O)[O-])c1 380418812 WQPAGGHDGJGFEA-UHFFFAOYSA-N 300.300 1.359 10 10 DDCE COc1nscc1S(=O)(=O)NCCc1ccc(N)cc1 714367076 YGDDFTFOIZFQKV-UHFFFAOYSA-N 313.404 1.255 10 10 DDCE O=C1C[C@H](C(=O)Nc2ccc(O)c(O)c2)[C@H]2CCCC[C@H]2N1 2064264184 AZNHVFLNSVTYGM-GRYCIOLGSA-N 304.346 1.731 10 10 DDCE Nc1ccc(CNS(=O)(=O)c2cnc(Cl)s2)cc1 2044055158 RRKJXADIKOHLNU-UHFFFAOYSA-N 303.796 1.857 10 10 DDCE Nc1ccc(OCCN2CCSCC(F)(F)C2=O)cc1 2193329472 MPQRUFLDLOYVDP-UHFFFAOYSA-N 302.346 1.858 10 10 DDCE CN[C@@H](C)c1cnc(Sc2nnnn2CCOC)s1 2103567579 NKRSNDIULKFJCZ-ZETCQYMHSA-N 300.413 1.208 10 10 DDCE Cc1cnc(Cl)nc1NS(=O)(=O)Cc1ccc(N)cc1 2233499485 DQHHPICAJORSOT-UHFFFAOYSA-N 312.782 1.963 10 10 DDCE CN(C[C@]1(F)CCOC1)S(=O)(=O)Cc1ccc(N)cc1 2238270022 NCAZRHXJRBLTQJ-CYBMUJFWSA-N 302.371 1.159 10 10 DDCE Cn1cc([C@H]2CCN(C(=O)C=Cc3ccc(O)c(O)c3)C2)cn1 2308001434 JCWIVYXXDLCMHC-ZDUSSCGKSA-N 313.357 1.861 10 10 DDCE COc1ccc(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c(O)c1 93422093 SRFIEJSYDOSJJN-GHMZBOCLSA-N 301.408 1.654 10 10 DDCE CC(=O)N(C(=O)C(=O)N(C)C1CCCCC1)c1ccc(N)cc1 170318117 UZVWLNRLKLNGFG-UHFFFAOYSA-N 317.389 1.939 10 10 DDCE COCCNCc1cc(F)c(N2CCC[C@H](O)C2)c(F)c1 62737112 HTRLSCJOWRNRLI-LBPRGKRZSA-N 300.349 1.662 10 10 DDCE O=C1Cc2cc(N3CCN(C(=O)c4ccco4)CC3)ccc2N1 62575914 IGFFEWAAPYHPNJ-UHFFFAOYSA-N 311.341 1.737 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)N2CCC[C@@H]2C)c1 185015967 BDNFPCAHOKTLHV-JTQLQIEISA-N 300.380 1.220 10 10 DDCE CN1CCN[C@H](c2cc(Cl)cc(Br)c2O)C1=O 1951971356 VTQRPESDTGWQJJ-SECBINFHSA-N 319.586 1.911 10 10 DDCE Nc1ccc(C(=O)NC(=O)Nc2cc(O)c(O)c(O)c2)cc1 217278887 LNWMBCYWNJOFMB-UHFFFAOYSA-N 303.274 1.348 10 10 DDCE CO[C@@H]1[C@H](OC)CN(c2ccc(CN)cc2Cl)[C@H]1CF 2366427006 RLHWXNHVKNTNBW-MJBXVCDLSA-N 302.777 1.987 10 10 DDCE CN(C)C[C@](C)(O)CNCc1cccc(Br)c1O 131467356 DWOZVBFYBTUQME-CYBMUJFWSA-N 317.227 1.557 10 10 DDCE O=C(Nc1cn(Cc2ccccc2)nn1)c1cccc(O)c1O 194534801 UIOLNOOVHWVOIA-UHFFFAOYSA-N 310.313 1.990 10 10 DDCE CN1C(=O)C(=Cc2cn(C)nc2C(C)(C)C)C(=O)N(C)C1=O 93872667 BHMGKTJTTWUMJC-UHFFFAOYSA-N 304.350 1.151 10 10 DDCE CCN1CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2C)C1=O 801799453 DEBGNUQMTNWHBX-OAHLLOKOSA-N 318.421 1.481 10 10 DDCE O=C1CC[C@H](N2CCN(Cc3cc(F)ccc3O)CC2)CCN1 825148123 QCIKOWMANQABJN-HNNXBMFYSA-N 321.396 1.318 10 10 DDCE COc1ccc(N2CCN(c3cc4nnc(C)n4cn3)CC2)cc1 840233499 GHOPSSGQUNAEAD-UHFFFAOYSA-N 324.388 1.768 10 10 DDCE Cc1cc(O)c(CN2CCCS(=O)(=O)CC2)c(Cl)c1 840918401 SIRLMHGTUVJXFQ-UHFFFAOYSA-N 303.811 1.975 10 10 DDCE O=C1N[C@]2(C(=O)NCc3c(O)cccc3F)C[C@H]3C[C@@H]1[C@H]2C3 928705060 CWXPKCFDJVMQNJ-NUARIENTSA-N 304.321 1.062 10 10 DDCE C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1CN 923496110 GRMPCIZRDCZEMW-ZBFHGGJFSA-N 318.465 1.286 10 10 DDCE COc1cc(Br)cc([C@@H]2NCC[C@H]2C(=O)O)c1O 1952972578 PEQUOXSXMGGMCO-GMSGAONNSA-N 316.151 1.899 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CCCOCC3)C2)cc1 852449826 XCSVREXQONABQD-AWEZNQCLSA-N 319.405 1.706 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@@H]1CCc2nncn2CC1 928709432 FEBNOWRMWNZPMZ-SNVBAGLBSA-N 304.325 1.392 10 10 DDCE COc1ccc(N2CCC(NC[C@@H]3CCC(=O)N3)CC2)cc1 850388443 CJZVYIZHIDAQJP-AWEZNQCLSA-N 303.406 1.532 10 10 DDCE CC(C)C[C@@H](C(N)=O)N(C)Cc1ccc(N2CCOCC2)cc1 931706338 FRYLJXVHQMWOKX-KRWDZBQOSA-N 319.449 1.855 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCCC23CC3)c1 869749624 ZZVRGCUIKWYSIE-ZDUSSCGKSA-N 324.402 1.826 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCN(c3nccnn3)CC2)cc1 862444331 VSDIVHLCVPAGLR-ONEGZZNKSA-N 324.432 1.773 10 10 DDCE Cc1nn(C)c(C)c1S(=O)(=O)N1Cc2cccc(O)c2C1 867690351 RHKXRTPRYXCCEC-UHFFFAOYSA-N 307.375 1.447 10 10 DDCE CC(C)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 1116996452 KDMKLZJGPLSJBS-OAHLLOKOSA-N 317.433 1.873 10 10 DDCE CC(=O)C(=O)COC(=O)Cn1nc(C(F)F)cc1C1CC1 873436413 KAQKXLZVMPPJAM-UHFFFAOYSA-N 300.261 1.399 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1F 778922843 LRWZOTOWXKSUEQ-UHFFFAOYSA-N 319.288 1.954 10 10 DDCE CCOC(=O)CN(CCCC(=O)OC)Cc1ccccc1O 1171389696 BRWASLSGWCUDBR-UHFFFAOYSA-N 309.362 1.711 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(F)CCOC3)C2)cc1 1328696550 FXFDZZZLJHGCOO-MLGOLLRUSA-N 308.353 1.519 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@]12CCCC[C@@H]1NC(=O)C2 1334066685 PCEIPQDKAUGUDV-KQTBYGHGSA-N 316.357 1.429 10 10 DDCE CCOC(=O)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1447690251 RWHROJMSXGQBJQ-SECBINFHSA-N 306.322 1.921 10 10 DDCE C[C@@H](NC(=O)c1ccc(-n2ccnc2)nn1)c1ccccc1O 1454805450 JVWFZOSOVQVZCQ-LLVKDONJSA-N 309.329 1.859 10 10 DDCE Cc1noc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)n1 1640473626 FNOPCMFVXSRDLK-UHFFFAOYSA-N 302.294 1.813 10 10 DDCE O=C(NCCOc1cncc(Cl)c1)c1cccc(O)c1O 1640524596 WXKKVLMTMIBHER-UHFFFAOYSA-N 308.721 1.955 10 10 DDCE COCCN1CCN(Cc2cc(OC)c(OC)cc2O)C[C@@H]1C 160212105 SAJOSJWSWSSSIP-ZDUSSCGKSA-N 324.421 1.562 10 10 DDCE CCCN(CCN(C)S(C)(=O)=O)Cc1ccccc1O 1964130078 DDKYKHNZEPZOFI-UHFFFAOYSA-N 300.424 1.496 10 10 DDCE CO[C@@H](CCO)CNCc1ccc(Br)cc1O 1972505341 FQHCZJVBXHOWQE-NSHDSACASA-N 304.184 1.642 10 10 DDCE C[C@@H](NCc1ccc(F)c(F)c1O)[C@H]1CCS(=O)(=O)C1 2146101729 ZPPZVBMLCXISME-SCZZXKLOSA-N 305.346 1.583 10 10 DDCE COc1cc(Cl)cc(CNCC[C@@]2(O)CCOC2)c1O 404176815 HYCSZCVRRWNSSK-CQSZACIVSA-N 301.770 1.685 10 10 DDCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1csc(Br)c1 309137609 QYMZCYSBHOJGTM-SSDOTTSWSA-N 304.173 1.937 10 10 DDCE CN(C)c1ccc(CNCc2c(Br)nnn2C)cc1 389283798 LMWAQNSTDRITBD-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE O=C1N[C@@H]2CN(Cc3cc(Br)ccc3O)C[C@@H]2O1 2056807429 IACUYNVFEYCFNO-KOLCDFICSA-N 313.151 1.447 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]3CF)c(Br)cc21 2063222465 GLJMMVNHAMMJTA-KGFZYKRKSA-N 314.158 1.949 10 10 DDCE N[C@H]1CC(CN2CCc3c(Br)cccc32)=C[C@@H]1O 2067770917 YCWZBCRZJCQFET-JSGCOSHPSA-N 309.207 1.830 10 10 DDCE CN1CC[C@@H](NCc2c(O)cccc2Br)CC1=O 2068228120 VMRSQRXULVPKFY-SECBINFHSA-N 313.195 1.865 10 10 DDCE OC[C@@H]1COCC[C@H]1NCc1cc(Br)ccc1O 2072977677 DKENWOFFSHACOM-ZYHUDNBSSA-N 316.195 1.642 10 10 DDCE CNC(=O)[C@H](C)NCc1c(Br)ccc(OC)c1O 2220446415 AZZGDUZOYMTREO-ZETCQYMHSA-N 317.183 1.387 10 10 DDCE COc1ncc(S(=O)(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])s1 2225797344 FGXZWFBTSTXNCT-RNFRBKRXSA-N 303.369 1.661 10 10 DDCE COCCN(CCOC)c1ccc(C=CC(=O)O)cc1[N+](=O)[O-] 2295512503 ULNMLCUUXLNITO-UHFFFAOYSA-N 324.333 1.792 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H](CC2CC2)C(=O)O)s1 2284501844 VNUCSDJWAUODKW-VIFPVBQESA-N 315.420 1.918 10 10 DDCE CS(=O)(=O)[C@H]1CC[C@H](Sc2ncc(C(=N)N)s2)C1 2319452800 ACPBLHDTGFZELL-BQBZGAKWSA-N 305.450 1.485 10 10 DDCE Cc1ccc(CNC(=O)[C@H]2C[C@H](N)C2)c(O)c1Br 2327801509 SHXTWIBSUCEEJC-MGCOHNPYSA-N 313.195 1.817 10 10 DDCE CN(NCc1c(O)cccc1Cl)S(=O)(=O)C1CCC1 2339769558 NGZGPMXIKRJLTG-UHFFFAOYSA-N 304.799 1.864 10 10 DDCE N=c1nnc(OCCCc2cc(Cl)cc(Cl)c2)n[nH]1 2341160280 ATURUINGCVEVAH-UHFFFAOYSA-N 300.149 1.998 10 10 DDCE CC(=O)N(C(=O)c1n[nH]c2c1COCC2)c1ccc(N)cc1 170239560 UWDWKTUNKHSRKD-UHFFFAOYSA-N 300.318 1.258 10 10 DDCE CNC(=O)CN(C)[C@@H](C)c1cc(Br)ccc1O 132113121 NTJVARNNMPZPPX-QMMMGPOBSA-N 301.184 1.894 10 10 DDCE CN(C)c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)nc1 193866072 QJJGVTOIKXCVGI-UHFFFAOYSA-N 316.361 1.923 10 10 DDCE CN(C)c1noc(COC(=O)/C=C/c2ccc(O)c(O)c2)n1 801290390 DGPRNQUCPSAYOT-GQCTYLIASA-N 305.290 1.303 10 10 DDCE O=C(O)c1cc(NS(=O)(=O)CC[C@@H]2CCOC2)ccc1O 296999642 QTQYUKHOLFQXBE-VIFPVBQESA-N 315.347 1.259 10 10 DDCE CNC(=O)[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 817414490 GJNKFYDZHZKXFC-AWEZNQCLSA-N 321.396 1.230 10 10 DDCE CC1(C)COC[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O 819169570 MMNBSWVCEQPODF-ZDUSSCGKSA-N 304.346 1.581 10 10 DDCE C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H](C)C1O 827152385 SXZWSGTXUZXKJK-HZPDHXFCSA-N 317.477 1.887 10 10 DDCE O=C1N=C(N2CCOCC2)S/C1=C\c1cnn(CCF)c1 901443569 OVQDLOLJMBGLDP-XFFZJAGNSA-N 310.354 1.155 10 10 DDCE CC(C)(O)[C@H](O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 901175380 KJSGQULXQDFLLB-UKRRQHHQSA-N 323.389 1.032 10 10 DDCE CCN1CCN(c2ccc(CNCc3cn[nH]c3)cc2F)CC1 730108565 PRTPEZVVLXTOQE-UHFFFAOYSA-N 317.412 1.981 10 10 DDCE Cc1ccc(CNCC2OCCO2)c(O)c1Br 1893707144 AWIOLHFKQGBHRN-UHFFFAOYSA-N 302.168 1.926 10 10 DDCE Cc1cc(O)c(CN2CC[C@H](N3CCNCC3)C2)c(Cl)c1 843122772 ODEYRKKZGCVXSQ-ZDUSSCGKSA-N 309.841 1.834 10 10 DDCE NC(=O)[C@H]1CCCN(c2ccc(CNc3cccnn3)cc2)C1 742395909 DPBHOWIZHCJPDZ-AWEZNQCLSA-N 311.389 1.790 10 10 DDCE CCOc1ccc(O)c(CNC[C@H]2CC(=O)N(C3CC3)C2)c1 846074401 CXENBHFUDFPNSO-GFCCVEGCSA-N 304.390 1.891 10 10 DDCE CC[C@@H](O)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854298975 DDIYHQWOXLRKNO-DZGCQCFKSA-N 321.421 1.734 10 10 DDCE C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCN1S(C)(=O)=O 853564307 MVEKHDGWXXVXLW-GFCCVEGCSA-N 324.446 1.347 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1C[C@H](C(N)=O)C1 858772274 GUBCLILKAXCEGJ-JOCQHMNTSA-N 304.394 1.124 10 10 DDCE C[C@@H](NC(=O)N1CCC(CO)(CO)C1)c1ccc(N(C)C)cc1 854002468 AHTQHXAGHBGRDO-CYBMUJFWSA-N 321.421 1.200 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)[C@H]1CN(C)C(=O)N1 854374344 RVEQQOXRRLCUGX-CYBMUJFWSA-N 305.378 1.545 10 10 DDCE O=C(NCCO[C@@H]1CC1(F)F)NCc1c(O)cccc1F 923256754 PLASXNXPVSXZDA-LLVKDONJSA-N 304.268 1.755 10 10 DDCE C[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)c2ncnn21 852475513 HPMNHUHJAFQANT-FZMZJTMJSA-N 314.393 1.849 10 10 DDCE CCNCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851661319 HGNBIWYXZQNTGL-AWEZNQCLSA-N 320.437 1.573 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC2CC1(CN)C2 852755877 JPBMBCXPUQGPOF-UHFFFAOYSA-N 316.449 1.134 10 10 DDCE COc1ccc(N2CCN(C(=O)Cn3cncc3C)CC2)cc1 858129139 JVXCICYGRDQHLP-UHFFFAOYSA-N 314.389 1.549 10 10 DDCE CNC[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851682778 WCBJAZJYGUQPPQ-STQMWFEESA-N 306.410 1.181 10 10 DDCE C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ncnn1C 788972361 YZEUPEOJBABTKB-LBPRGKRZSA-N 319.384 1.642 10 10 DDCE CCN(CC)c1ccc(CNC(=O)/C=C\C(=O)N(C)C)cc1 1136300662 ZBIXXDQAFZRKHI-QXMHVHEDSA-N 303.406 1.793 10 10 DDCE CNC(=O)[C@H](C)N(C)Cc1cc(Br)ccc1O 1916791112 WHEHEZFCCFFLAO-QMMMGPOBSA-N 301.184 1.721 10 10 DDCE CCN(CC)CCN(CCOC)C(=O)Cc1ccc(O)c(O)c1 1443572796 XJMVBXNQWSOXQR-UHFFFAOYSA-N 324.421 1.457 10 10 DDCE C[C@@H]1C[C@H]1C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 1282895492 IFRMWXVOCKEBTF-BXKDBHETSA-N 317.349 1.351 10 10 DDCE O=C(c1cccc(O)c1O)N1CCC[C@@H](N2CCCC2=O)CC1 1299331763 VEZZKTQJUQMZQC-GFCCVEGCSA-N 318.373 1.715 10 10 DDCE COc1cc(C(N)=O)ccc1NC(=O)c1cccc(O)c1O 1557000624 ALRRRHJMMXUAAQ-UHFFFAOYSA-N 302.286 1.458 10 10 DDCE CO[C@@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 1595595320 BJXKZQQJFWIJPO-INIZCTEOSA-N 301.342 1.972 10 10 DDCE O=C(C[C@@H]1NC(=O)c2ccccc21)NCc1cc(O)ccc1O 1593881529 LYSIUGYZPZEJNU-AWEZNQCLSA-N 312.325 1.589 10 10 DDCE Cn1c(O)nc2ccc(C(=O)NCc3cc(O)ccc3O)cc21 1593873730 YTBGNQAUKQXCKE-UHFFFAOYSA-N 313.313 1.620 10 10 DDCE CC(C)(C)OC(=O)NC1CN(C[C@H](N)c2ccccc2O)C1 1961168689 KSDMAEKRJGTKKZ-ZDUSSCGKSA-N 307.394 1.601 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)CC(C)(C)O)cc1C 1699361331 ORQXYWWHKMMQAL-CYBMUJFWSA-N 308.422 1.759 10 10 DDCE CNCc1ccc(N(CCO)CCOC)cc1C(F)(F)F 164422448 DPSAJGWLWKTWDF-UHFFFAOYSA-N 306.328 1.870 10 10 DDCE C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(N2CCOCC2)cc1 159581077 YSKGXPSUWCHWDF-GDBMZVCRSA-N 317.433 1.609 10 10 DDCE COc1ccc(/C=C2/SC(=S)N(CCN)C2=O)cc1OC 31934904 URVWPCBRRQVMJC-XYOKQWHBSA-N 324.427 1.864 10 10 DDCE C[C@@H](c1cc(F)ccc1O)N(C)CCS(=O)(=O)N(C)C 2151047183 LSLUHLBECUNMSK-JTQLQIEISA-N 304.387 1.416 10 10 DDCE C[C@H](O)c1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl 2144166738 KNXFTWLIAZZBSM-HBNTYKKESA-N 315.822 1.874 10 10 DDCE OCc1ccc(N2C[C@@H](CO)C[C@@H]2CO)cc1Br 2029383580 FYMMXZVQTQPCPS-JOYOIKCWSA-N 316.195 1.121 10 10 DDCE Oc1ccc(CCNCc2ncc(Br)[nH]2)cc1O 2031071269 SGBSXMDFBZWPPH-UHFFFAOYSA-N 312.167 1.916 10 10 DDCE Cc1csc(CCNS(=O)(=O)Cc2ccc(N)cc2)n1 59971192 MNRDKWCSMNEJMV-UHFFFAOYSA-N 311.432 1.696 10 10 DDCE Oc1c(F)cc(Br)cc1CNC[C@@H]1COC[C@H]1O 2036576576 JPYIBICHCPJYMJ-LDYMZIIASA-N 320.158 1.391 10 10 DDCE O=S1(=O)CCCCN1CCNCc1c(O)cccc1F 2160779086 ZFRYZOJZXCNYEC-UHFFFAOYSA-N 302.371 1.047 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCCc4cnccc43)c2n1 2062786647 WINPDUDDJOATLV-AWEZNQCLSA-N 323.356 1.946 10 10 DDCE COc1cccc(O)c1CNCCS(=O)(=O)C(C)(C)C 2191412193 UCTQQBLIENZATN-UHFFFAOYSA-N 301.408 1.704 10 10 DDCE N[C@@H]1CC[C@@H](CS(=O)(=O)Nc2ccc(O)cc2Cl)C1 2087457957 LIHMIWZILKFHOD-RKDXNWHRSA-N 304.799 1.915 10 10 DDCE COc1cc(OC)c(N(C)C[C@H]2CNCCO2)cc1Cl 2285935336 IJHJAHIGOBAUNP-SNVBAGLBSA-N 300.786 1.782 10 10 DDCE CC(C)(CO)CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2290037450 PZHSOAZMYDHMFI-UHFFFAOYSA-N 304.324 1.061 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1CCN(CC2CC2)CC1 2307986557 IFAOKJXERVPNDT-UHFFFAOYSA-N 302.374 1.665 10 10 DDCE CN(C[C@H]1CCC[C@H]1O)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 301846820 MZYBBSHXKLSBQQ-NOZJJQNGSA-N 321.333 1.523 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCOCC3(CCOCC3)C2)c1 184115379 ALAIZFJUBXUQNM-UHFFFAOYSA-N 322.361 1.929 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CSC(=O)N2)cc1 72985194 OJGWLXKYSFFRLC-ZDUSSCGKSA-N 307.419 1.974 10 10 DDCE COCC(COC)S(=O)(=O)Nc1cc(C)c(O)c(C)c1 2366465892 LMNFQBQAOLOQLE-UHFFFAOYSA-N 303.380 1.412 10 10 DDCE O=C(CCN1C(=O)CSC1=S)Nc1ccc2c(c1)OCO2 45922051 AWLKUZVBVYUCHA-UHFFFAOYSA-N 324.383 1.604 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H]1c1ccc(O)c(O)c1O 1952528258 PZPXJXHPNHKBDH-WPRPVWTQSA-N 310.350 1.813 10 10 DDCE O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(O)cs1 802673455 OZJYZZRQQYITRV-GXFFZTMASA-N 311.403 1.751 10 10 DDCE COC(=O)[C@@H]1CCCC[C@@H]1NCc1cc2c(cc1O)OCO2 824853353 CGVFVLCXUAILTB-NEPJUHHUSA-N 307.346 1.942 10 10 DDCE Cc1cc(C(=O)N2CC[C@@H](O)[C@@H](O)C2)c(C)n1-c1ccccn1 827619592 ZKQGOZSBSKQESY-CABCVRRESA-N 315.373 1.057 10 10 DDCE COC(=O)[C@]12C[C@H](N)C[C@H]1CN(Cc1cc(F)ccc1O)C2 903979258 ZVQZIHJDJOGRQG-GHJWDPDVSA-N 308.353 1.244 10 10 DDCE Cc1cc(O)c(CN2CCN(c3nncn3C)CC2)c(Cl)c1 848926249 NFEKRNPVETUZFY-UHFFFAOYSA-N 321.812 1.805 10 10 DDCE C[C@H](N)[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 842005559 NWJIUZWEAWSPGQ-YDHLFZDLSA-N 321.421 1.819 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H]3CC[C@@H](C3)C2)c1 856238056 KXBXGCFCZZHYLO-QWRGUYRKSA-N 324.402 1.636 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3ccnnc3C)C2)cc1 855234010 QNMTXRLNBSVAQH-CYBMUJFWSA-N 312.373 1.802 10 10 DDCE CCNC(=O)C(C)(C)CNC(=O)NCc1c(O)cccc1F 921567715 YEKWZPXMDZEVRM-UHFFFAOYSA-N 311.357 1.493 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3NCC3(C)C)C2)cc1 851639983 OKWNNQXXVBNFLD-SWLSCSKDSA-N 303.406 1.388 10 10 DDCE C[C@@H](NC(=O)c1cn2c(n1)COCC2)c1ccc(N(C)C)cc1 860951065 XUOHJUMQEVNISU-GFCCVEGCSA-N 314.389 1.970 10 10 DDCE CN(C)c1cc(F)c(CN2CCn3c(CO)nnc3C2)cc1F 862250122 ISAIHPFKSCMULZ-UHFFFAOYSA-N 323.347 1.130 10 10 DDCE CN(C)c1ccc(CNC[C@]23COCCN2C(=O)OC3)cc1 865768101 WKBCGFLSMOUVTC-MRXNPFEDSA-N 305.378 1.063 10 10 DDCE O=C(NCc1c(O)ccc2c1CCCC2)[C@H](O)C1CCOCC1 769562723 MOZGDAFTKAYBGA-QGZVFWFLSA-N 319.401 1.675 10 10 DDCE Cc1ccccc1-n1c(C)cc(C(=O)NC[C@@H](O)[C@@H](C)O)c1C 871123716 XEGJUKQKNYRVMH-RHSMWYFYSA-N 316.401 1.874 10 10 DDCE Cc1cc(Br)cc(CNCc2cn(C)nn2)c1O 783602039 CSMRLPTZPRZLFG-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE COCC[C@H](CO)NCc1cc(C)cc(Br)c1O 798504995 HGPDGZXDYYNDDM-LLVKDONJSA-N 318.211 1.950 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCCO[C@H]1CCCCO1 1156755203 BDBOBRMBXOHDFN-INIZCTEOSA-N 309.362 1.690 10 10 DDCE Cn1c(=O)oc2c(C(=O)NCc3cc(O)ccc3O)cccc21 1153884252 AGFUZUSRQWOSDS-UHFFFAOYSA-N 314.297 1.473 10 10 DDCE Nc1c(C(=O)NCc2cc(O)ccc2O)cccc1[N+](=O)[O-] 1176748646 YRCNKZIRHOIYQP-UHFFFAOYSA-N 303.274 1.518 10 10 DDCE C/C(=C\C(=O)N1C[C@@H](C(N)=O)Cc2ccccc21)c1cnccn1 1455969779 GMGFIVKJLKSEHM-BCNIOPEESA-N 322.368 1.571 10 10 DDCE O=C(Cn1c(O)nc2ccccc21)N1Cc2cccc(O)c2C1 1455036323 GSFRDBDWKWCCSR-UHFFFAOYSA-N 309.325 1.990 10 10 DDCE CCC(CC)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1nn[nH]n1 1626908461 FPSHXVXINIEJLG-SOFGYWHQSA-N 317.349 1.456 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cccc3c2NC(=O)CO3)c1 1557552075 BKRJWAJXKBHDFV-UHFFFAOYSA-N 312.325 1.962 10 10 DDCE CS(=O)(=O)c1ccc(N)c(C(=O)NCc2ccccc2O)c1 1566373727 BLUICIKQUJGEOZ-UHFFFAOYSA-N 320.370 1.308 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2CC2(C)C)cc1C 1571426904 GLWQTFOLVLSUOS-GJZGRUSLSA-N 320.433 1.616 10 10 DDCE Cn1ccnc1[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 1654471258 WLYWATGVVYIXAH-SECBINFHSA-N 305.309 1.600 10 10 DDCE CC(C)(C)OC(=O)N1CCN(C[C@H](N)c2ccccc2O)CC1 1936978534 ZJXIKDVDUXCZTM-AWEZNQCLSA-N 321.421 1.945 10 10 DDCE COC(=O)CCCS(=O)(=O)Nc1cc(C)c(O)cc1C 234508247 VTERGHIDXJOPER-UHFFFAOYSA-N 301.364 1.704 10 10 DDCE C[C@@H](CNC(=O)c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1962358623 OGFWHJVMRMEMSN-VIFPVBQESA-N 310.350 1.741 10 10 DDCE CCNC(=O)C1(NCc2ccc(Br)cc2O)CC1 1965970849 PGCMARYZVPOFJM-UHFFFAOYSA-N 313.195 1.913 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)c(Cl)c1 2151275260 OEADVXOWDMUBAO-OLUVUFQESA-N 314.838 1.983 10 10 DDCE NCc1ccc(N2C[C@@H](CO)C[C@H]2CO)c(Br)c1 2029386000 YQRCMABPLYCUCU-QWRGUYRKSA-N 315.211 1.087 10 10 DDCE NCc1ccc(N2C[C@H](O)[C@H]3COC[C@@H]32)cc1Br 2040600891 RSSKIKKQDQXBLW-DRZSPHRISA-N 313.195 1.104 10 10 DDCE C[S@@](=O)CCC[S@@](=O)CCCOc1ccc(N)cc1 320240985 XNERRCQFAHRBIC-MOPGFXCFSA-N 303.449 1.555 10 10 DDCE O=C1NC(=S)SC1=Cc1cc2c(cc1[N+](=O)[O-])OCO2 2053487583 UEWFSZGHGXQRQB-UHFFFAOYSA-N 310.312 1.812 10 10 DDCE CN(C)C1CN(c2ccc(CN)c(Br)c2F)C1 382745984 NOAFEZPZLMRSAM-UHFFFAOYSA-N 302.191 1.797 10 10 DDCE CN1CC[C@@H](NCc2ccc(Br)cc2O)CC1=O 2068226655 LOOCCIXUAICPET-LLVKDONJSA-N 313.195 1.865 10 10 DDCE O=C(O)[C@@H]1C[C@@H](O)CN(Cc2cc(Cl)cc(Cl)c2O)C1 2201043552 KHGDQYQXDGTKPD-PSASIEDQSA-N 320.172 1.966 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CCOc1nnc(=N)[nH]n1 2210648618 XWOAGUCDYASVKS-UWVGGRQHSA-N 324.385 1.141 10 10 DDCE CNC(=O)CNC(=O)C=Cc1cc(C)n(-c2ccccc2)c1C 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CN(Cc1ccccc1O)S(=O)(=O)c1cc(N)ccc1F 40335347 FJJDUHSJUPKZEA-UHFFFAOYSA-N 310.350 1.934 10 10 DDCE CN1C(=O)C(=C/C=C\c2ccccc2[N+](=O)[O-])C(=O)N(C)C1=O 255672553 IBZSCGSEKDNTPR-ALCCZGGFSA-N 315.285 1.585 10 10 DDCE Cc1ncc(S(=O)(=O)N(C)Cc2ccccc2O)cc1C#N 383739269 NMHNSWIEJIBIMK-UHFFFAOYSA-N 317.370 1.788 10 10 DDCE CC[C@H](CNS(C)(=O)=O)NCc1cc(Cl)c(F)cc1O 295043017 MTGWXUHTUVTQSY-SECBINFHSA-N 324.805 1.602 10 10 DDCE C[C@@](O)(C(=O)NCc1cc(Br)ccc1O)C1CC1 805153671 FSBNUKSBUVYABO-ZDUSSCGKSA-N 314.179 1.932 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCCN(C)C2)c1 729049031 BGIYHABKWDOKTE-VXGBXAGGSA-N 307.394 1.855 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1coc2c1C(=O)NCCC2 906991270 KVEXWINWLJYOCT-UHFFFAOYSA-N 314.341 1.933 10 10 DDCE OCCO[C@]1(CNCc2cc(Cl)cc(F)c2O)CCOC1 826940281 BPTMFBRRPMGCSX-AWEZNQCLSA-N 319.760 1.442 10 10 DDCE CCc1cccc(CN2CCC(N3CC[C@@H](O)C3)CC2)c1O 827700034 OKVTULSZHLNOPR-QGZVFWFLSA-N 304.434 1.986 10 10 DDCE Cc1cc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)nn1C 832279336 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DDCE COc1ccc(NCc2ccc(N(C)C)cc2)n2nc(N)nc12 82729888 CFTJNASHMBGTIY-UHFFFAOYSA-N 312.377 1.998 10 10 DDCE CCOc1cccc(CN[C@@H](C)C2(S(C)(=O)=O)CC2)c1O 796487971 BAFOGWLRNSLHCJ-NSHDSACASA-N 313.419 1.846 10 10 DDCE CSc1nc(O)nc(C)c1C(=O)NCc1cc(O)ccc1O 1153884673 FHTSOJUAQYIPEQ-UHFFFAOYSA-N 321.358 1.554 10 10 DDCE CC(=O)N[C@H](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1339757069 AZWRQNOZKQTZGX-ZJUUUORDSA-N 319.365 1.882 10 10 DDCE CN(CCS(C)(=O)=O)c1ccc(C=CC(=O)O)c(Cl)c1 1911831096 VEXNSQSWTBTXGS-UHFFFAOYSA-N 317.794 1.919 10 10 DDCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)C(C)C)cc1C 1284385241 GFNKDHNJCVBVPY-OAHLLOKOSA-N 308.422 1.569 10 10 DDCE COCCN(C)c1nnc(C)n1Cc1ccc(N(C)C)c(F)c1 1619864022 ZNQXBBJKFOMFIU-UHFFFAOYSA-N 321.400 1.923 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](CO)Cc1ccccc1 1544532201 USLAAFXTVOOSPU-OAHLLOKOSA-N 315.369 1.608 10 10 DDCE C/C=C(/C)C(=O)N(CCO)CCNCc1ccc(OC)c(C)c1 1700025489 IOUGEHGZYKKHIJ-RZNTYIFUSA-N 320.433 1.880 10 10 DDCE CC1CCN(C[C@@H]2OC[C@@H](NCc3ccccc3O)[C@H]2O)CC1 1615260365 SCINRQQNPOZHBR-BPQIPLTHSA-N 320.433 1.342 10 10 DDCE CC(=O)NC[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 1558919149 CMCHHKGJXFYXAI-SNVBAGLBSA-N 310.325 1.225 10 10 DDCE O=C(NCCCn1cncn1)c1cc2cc(O)c(O)cc2s1 1640406565 QNLMENQQBBHCQK-UHFFFAOYSA-N 318.358 1.724 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H](c2ncon2)C1 1645977964 SVJCIMYLLCNNHL-RNZFLTOJSA-N 315.329 1.900 10 10 DDCE Cn1nc2c(c1C(=O)NCc1cc(O)ccc1O)CCCC2 1651225290 DFAWTOQVMSAUHF-UHFFFAOYSA-N 301.346 1.640 10 10 DDCE CN1CC[C@]2(CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)C1 1270575388 LMXOVUBRJJZMEK-QGZVFWFLSA-N 304.390 1.585 10 10 DDCE CNCc1ccc(N2C[C@H](O)[C@@H](F)C2)c(Br)c1 1944300455 BUZNCFKFTLWZJV-JQWIXIFHSA-N 303.175 1.688 10 10 DDCE CNCc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c(F)c1 2148773217 BMMDJVUQAQTNTF-LBPRGKRZSA-N 300.399 1.416 10 10 DDCE Cc1nc(NCCc2ccc(N)cc2)sc1S(N)(=O)=O 261875089 ZPYMPNDOSVVJTD-UHFFFAOYSA-N 312.420 1.336 10 10 DDCE CCS(=O)(=O)CCN(C)[C@@H](C)c1ccc(OC)cc1O 2170568406 UWVUGGVBNXHZRM-NSHDSACASA-N 301.408 1.828 10 10 DDCE CC[C@@H](C)[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)OC 382042306 VPGLZDAYDROHOM-BXUZGUMPSA-N 300.424 1.749 10 10 DDCE C[C@H](c1c(O)cccc1F)n1ncc(C(=O)NC2CC2)c1O 2070494706 RCJAQPNQUZRFBZ-MRVPVSSYSA-N 305.309 1.935 10 10 DDCE C[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)OC(C)(C)C 2192194436 QKHXUUUFGSYBLJ-LLVKDONJSA-N 300.424 1.892 10 10 DDCE COC(=O)N[C@@H](C)CNCc1ccc(Br)cc1O 2261526114 UNPPFIUOVWLBCU-QMMMGPOBSA-N 317.183 1.989 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2cccnc2F)s1 2269245190 ILOHVMLFLSXVND-UHFFFAOYSA-N 319.408 1.878 10 10 DDCE CSc1ncc(CNC(=O)N[C@H]2[C@H](C(=O)O)C2(C)C)s1 2284509778 XRYJJPICZANXCQ-SFYZADRCSA-N 315.420 1.773 10 10 DDCE O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1CCO 2294874892 XYLDZWUGKZCNHP-UHFFFAOYSA-N 310.356 1.788 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)N2CCOc3ccccc32)c1 491686207 PPPHHZMDLIFNTH-VOTSOKGWSA-N 323.352 1.880 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2n[nH]cc2C)cc1C 1266937870 PKVLTJVCSWYHAE-ZDUSSCGKSA-N 316.405 1.943 10 10 DDCE O=C(CCc1cncc(F)c1)NCCc1ccc(O)c(O)c1 181661118 JSOUCKICNDFWLA-UHFFFAOYSA-N 304.321 1.923 10 10 DDCE C[C@@H](NC=C1C(=O)NC(=S)NC1=O)c1ccc(F)c(F)c1 72680453 JDLMBAQMRZLYGL-ZCFIWIBFSA-N 311.313 1.030 10 10 DDCE O=S1(=O)CC[C@H](Oc2ccc(N3CCCNCC3)cc2)C1 43461589 USQIZOOUUCYUPZ-HNNXBMFYSA-N 310.419 1.052 10 10 DDCE COc1ccc(CN2CCO[C@@H](c3nc(C)n[nH]3)C2)c(O)c1 180118466 MKXBRAUBSIONSZ-CQSZACIVSA-N 304.350 1.401 10 10 DDCE O=C(Cn1cc(-c2ccccc2)nn1)NCc1ccc(O)c(O)c1 182537656 KBHIUAXTWQDNAU-UHFFFAOYSA-N 324.340 1.673 10 10 DDCE Cc1nc(C(=O)N(CC(N)=O)Cc2ccc(N)cc2)cs1 87427525 XOJFZYVSGRXDMM-UHFFFAOYSA-N 304.375 1.161 10 10 DDCE COC[C@H](NS(=O)(=O)CCOc1ccc(N)cc1)C(C)C 86682359 MAIWJATUZNFSCH-AWEZNQCLSA-N 316.423 1.238 10 10 DDCE COc1ccsc1S(=O)(=O)NCCc1ccc(N)cc1 193341148 JYILJXOFBQHPMY-UHFFFAOYSA-N 312.416 1.860 10 10 DDCE COc1cc(OC)c2c(c1)[C@H](CCN1CCNCC1)CN2C 527416563 PXKVMIABRLMELS-CYBMUJFWSA-N 305.422 1.533 10 10 DDCE CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1cccc(O)c1O 365676844 YNYJHTVDNZQFMR-GHMZBOCLSA-N 323.345 1.281 10 10 DDCE CCOCc1nc([C@@H](C)NC(=O)c2cccc(O)c2O)no1 292020500 WMZUOGAUMGMAEU-MRVPVSSYSA-N 307.306 1.508 10 10 DDCE COc1cc(/C=C/C(=O)OCC(=O)C(C)=O)cc(OC)c1O 808522715 XOKLTEWNHYQDTM-SNAWJCMRSA-N 308.286 1.124 10 10 DDCE Cc1cc(Br)cc(CNC2COCCOC2)c1O 814172547 RVOCONQXITWTRC-UHFFFAOYSA-N 316.195 1.968 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@@H]2CCc3nnnn3CC2)cc1 817420734 YOZOLDURINFOIX-ABCZVMIZSA-N 312.421 1.747 10 10 DDCE CO[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 823290976 BPABAJKIKGRQPQ-DOTOQJQBSA-N 318.417 1.955 10 10 DDCE CCOC(=O)[C@@H](F)[C@H](N)c1c([N+](=O)[O-])ccc(Cl)c1O 725424868 MJFRFGVJLUABHN-DTWKUNHWSA-N 306.677 1.855 10 10 DDCE CCOC(=O)CN(CCn1cc(C)cn1)Cc1ccccc1O 823576607 UDYRISORQSUSAI-UHFFFAOYSA-N 317.389 1.962 10 10 DDCE C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)CN1CCOCC1 588407049 QCOHHKYBKIAREP-DXTPNHAXSA-N 320.389 1.196 10 10 DDCE COC(=O)/C(C)=C\CNC(=O)NCc1ccc(N(C)C)cc1 902895033 RUOBUMPZBODITI-XFXZXTDPSA-N 305.378 1.671 10 10 DDCE Cc1cc(C(=O)N2CCN(Cc3ccccc3O)[C@H](C)C2)n[nH]1 835072505 BOZFWDPXZBDIGY-CYBMUJFWSA-N 314.389 1.770 10 10 DDCE C[C@H](N)[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 843057536 JMRPXFSDHJRQIX-WMLDXEAASA-N 305.422 1.071 10 10 DDCE O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1cc(Br)ccc1O 846102382 DXYOYHKBVKSWKW-PSVSLLHZSA-N 316.220 1.860 10 10 DDCE O=C1CCC2=C(CCN(C(=O)c3c(F)ccc(O)c3O)C2)N1 857303376 ROVDIDSWIKOUCR-UHFFFAOYSA-N 306.293 1.247 10 10 DDCE O=C1N[C@@H](C(=O)NCc2ccc3cccnc3c2O)CCO1 862024554 ASJCLMNBZWBPAL-LLVKDONJSA-N 301.302 1.055 10 10 DDCE Cc1cc(Cl)cc(CNCc2nc(O)cc(CN)n2)c1O 863648215 NZSJNTUOGOYCOB-UHFFFAOYSA-N 308.769 1.598 10 10 DDCE COc1cccc(O)c1CN1CCN(c2ccnc(C)n2)CC1 761226274 OBGYTKZXPSJGNU-UHFFFAOYSA-N 314.389 1.821 10 10 DDCE COc1cccc(CNC(=O)c2c(OC)ccnc2OC)c1O 866763257 JACPHJADPPRGIW-UHFFFAOYSA-N 318.329 1.743 10 10 DDCE CN(CC1=CCSC1)Cc1cc(O)n2ncc(C(=O)O)c2n1 1350353095 GBOCSFZXYVDBCE-UHFFFAOYSA-N 320.374 1.238 10 10 DDCE O=C1C[C@@]2(CCN(Cc3cc4c(cc3O)CCCC4)C2)CN1 788383632 LNUPHWGLYONPJJ-SFHVURJKSA-N 300.402 1.983 10 10 DDCE C[C@H]1C(=O)N(C)CN1Cc1cc(Br)cc(F)c1O 895085765 YDOCDJFEDNPWKF-ZETCQYMHSA-N 317.158 1.914 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1snc(O)c1Cl 1137464850 SPTFLQIOQNVZFL-UHFFFAOYSA-N 314.750 1.886 10 10 DDCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)c1ccccc1 1160680453 ASEPVCCLCILYDI-PIGZYNQJSA-N 301.342 1.879 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@H](S(C)(=O)=O)C2)c(Cl)c1 2123338621 ZBTIYPJJIHUYCT-KOLCDFICSA-N 302.827 1.983 10 10 DDCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@H](O)CS(C)(=O)=O 1332913777 XLFPSWPDJIDVQB-UTUOFQBUSA-N 313.419 1.244 10 10 DDCE CCC(=O)NCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1284485942 AQPWQGYIBAGPDU-UHFFFAOYSA-N 305.338 1.447 10 10 DDCE CCCO[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@H](N=[N+]=[N-])C1 1912159797 MROKOSBANKZSCC-QJPTWQEYSA-N 302.400 1.353 10 10 DDCE CC(C)(C)OC(=O)N1CC(NC(=O)Cc2ccc(O)c(O)c2)C1 1465068026 GWTJRVOOLRQTDJ-UHFFFAOYSA-N 322.361 1.376 10 10 DDCE COc1ccc(CNC(=O)/C=C\[C@H]2COC(C)(C)O2)c(O)c1 1556354877 XNVUEISWCCBIFR-FWWRYZNZSA-N 307.346 1.725 10 10 DDCE Cc1cccc(-n2c(C)cc(C(=O)NC3=NCC(=O)N3C)c2C)c1 1634186420 GMMBQJCUWAVTJU-UHFFFAOYSA-N 324.384 1.960 10 10 DDCE COc1cc(N2CCC[C@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC 1639580478 NCGSUUKTAYCTOZ-SNVBAGLBSA-N 323.349 1.704 10 10 DDCE COc1ccc(OC)c(CC(=O)NCc2c(O)cccc2O)c1 1645361154 ZJBYXWZNZHYLJU-UHFFFAOYSA-N 317.341 1.974 10 10 DDCE Cc1ccc(C(=O)N2Cc3c[nH]nc3C[C@H](C)C2)c(O)c1O 1645214497 OXESDMKBHJUMKZ-VIFPVBQESA-N 301.346 1.964 10 10 DDCE Cc1ccc(O)c(CNC(=O)CNC(=O)c2ccc(F)cc2)c1 1584983126 FBEHYQUHYFPPNL-UHFFFAOYSA-N 316.332 1.886 10 10 DDCE CC(=O)NC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C 1746782046 SJIMZSDGOCANHP-ZDUSSCGKSA-N 319.365 1.740 10 10 DDCE CN(C)CCn1ccc(NC(=O)Cc2ccc(O)c(O)c2)n1 1598275375 KXEOWHQVLKHOAS-UHFFFAOYSA-N 304.350 1.037 10 10 DDCE CC(=O)NC1=NC(=O)/C(=C\c2ccc(OC(C)=O)cc2)S1 5824956 FVWXGHNHGHLJPO-KPKJPENVSA-N 304.327 1.718 10 10 DDCE COCCNCc1cc(F)c(N2CC[C@H](CO)C2)c(F)c1 167874000 JBCDDEUKYFZCES-NSHDSACASA-N 300.349 1.519 10 10 DDCE Nc1ccc(CC(=O)N2CCNC(=O)[C@H]2c2ccccc2)cc1 237884438 MOPHVTCPQGLXNO-QGZVFWFLSA-N 309.369 1.511 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)[C@@H](C)C(N)=S 1877528169 BPTCNXFIUSEYRL-IUCAKERBSA-N 302.421 1.389 10 10 DDCE CCS(=O)(=O)[C@H]1CSCCN1c1ccc(CN)c(F)c1 160487922 YRCJKIZRXHYZDA-ZDUSSCGKSA-N 318.439 1.598 10 10 DDCE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N)cc1 1993284107 JIZDDNXOBGKIAB-GXFFZTMASA-N 323.393 1.159 10 10 DDCE CC1([C@@H]2CN(C(=O)C=Cc3ccc(O)c(O)c3)CCO2)N=N1 2059161598 WUFMIOGYFRKTFK-ZDUSSCGKSA-N 303.318 1.520 10 10 DDCE CO[C@H]1CCCC[C@@H]1NC(=O)c1cnn2c(O)cc(C)nc12 2064243425 ACBGXQMCWYLRKB-RYUDHWBXSA-N 304.350 1.431 10 10 DDCE NCc1cc(F)c(N2CCOCCC23COC3)cc1Cl 2177385620 PHHRWYZNIPMNDC-UHFFFAOYSA-N 300.761 1.934 10 10 DDCE NCCO[C@@H]1CCN(Cc2c(O)cccc2Br)C1 2049875774 JJJGXYZMNNPDON-SNVBAGLBSA-N 315.211 1.704 10 10 DDCE NCc1ccc(N2CCC[C@H]2[C@@H](O)CO)c(Br)c1 2059280810 SGLNETCSYCXAPD-STQMWFEESA-N 315.211 1.230 10 10 DDCE NCc1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl 2094929603 FHFINHCNABCZGB-ZWNOBZJWSA-N 300.811 1.422 10 10 DDCE [N-]=[N+]=NCCCCNC(=O)[C@@]12CCC[C@H]1CS(=O)(=O)C2 2201863386 RNSPCTVCWZOUDL-CMPLNLGQSA-N 300.384 1.408 10 10 DDCE CCOC(=O)CCS(=O)(=O)NCc1cccc(C)c1O 2204608313 DHPVWTMDAMEJKQ-UHFFFAOYSA-N 301.364 1.073 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H](C(=O)O)C2CC2)s1 2269134426 OSRULJZHUHUHAR-MRVPVSSYSA-N 301.393 1.527 10 10 DDCE CC[C@@H](C)N1C(=O)C[C@@H](NCc2cnc(SC)s2)C1=O 2284696256 BFMJMUPJUXLOEF-PSASIEDQSA-N 313.448 1.881 10 10 DDCE COc1cc(OC)c(N2CCC[C@@H]2[C@H](O)CO)cc1Cl 2285870372 OJTRYTYTVNNERJ-ZYHUDNBSSA-N 301.770 1.679 10 10 DDCE CO[C@H]1CCNC[C@H]1C(=O)NCc1cnc(SC)s1 2269095974 PLRIJJOYHIRKAL-ZJUUUORDSA-N 301.437 1.106 10 10 DDCE CC[C@H](CNC(=O)NCc1cnc(SC)s1)C(=O)O 2269092569 IXMPVAKEKQMSCH-SSDOTTSWSA-N 303.409 1.775 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CC(F)(F)[C@H]2C(=O)O)s1 2284535962 GMSYTZSNSUYREQ-RNFRBKRXSA-N 322.358 1.837 10 10 DDCE CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C=Cc1ccc(O)c(O)c1 2307987015 WXSGDLCNOAMMAN-MNOVXSKESA-N 306.362 1.530 10 10 DDCE CN1CCCc2cc(CNC(=O)NCc3ccnn3C)ccc21 69719790 UTGFHNDLJLRFHY-UHFFFAOYSA-N 313.405 1.802 10 10 DDCE NS(=O)(=O)c1cccc(CNCc2ccc(O)c(O)c2)c1 37649835 XXTHDAUGWLFILX-UHFFFAOYSA-N 308.359 1.035 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](N2CCOCC2)C1 181129214 JSNSLHQMUZJOKM-KWEXDPCDSA-N 318.373 1.044 10 10 DDCE COc1ccc(CN2CCN(C[C@@H]3CCOC3)CC2)c(O)c1 93818054 QREUPMDVJVTDMW-AWEZNQCLSA-N 306.406 1.555 10 10 DDCE COC[C@@H](O)[C@@H](N)c1cc(Cl)cc(Br)c1O 95804341 SBAIUORWYADWSX-BDAKNGLRSA-N 310.575 1.815 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1 247318251 MIGXXFJYRWKEMA-HUUCEWRRSA-N 308.334 1.680 10 10 DDCE CCN1CCN([C@H](C(=O)O)c2ccc(N(C)C)cc2)C[C@H]1C 250257031 JELCTLVFCNQUQH-CJNGLKHVSA-N 305.422 1.904 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1c(C)nc2c(c(C)nn2C)c1C 808504858 MWGAUFJVTACIKR-UHFFFAOYSA-N 317.345 1.137 10 10 DDCE CN(C)C(=O)CN(C(=O)/C=C\c1cnccn1)c1ccccc1 493214033 FHKFDMWGMIMLGI-HJWRWDBZSA-N 310.357 1.611 10 10 DDCE Oc1ccccc1CN1CCC(N2[C@H]3CC[C@H]2CNC3)CC1 903978317 KOFMASMDNDBSKC-IRXDYDNUSA-N 301.434 1.793 10 10 DDCE CCc1nc(C)c(CC(=O)NCc2ccc(O)c(O)c2)c(C)n1 901131643 NEQPWFDXBFZPES-UHFFFAOYSA-N 315.373 1.926 10 10 DDCE C[C@H](CN1CCN(C)CC1)NC/C=C/c1ccc(N(C)C)cc1 835038163 NXBNWPAAJSQICU-FUTAKVPZSA-N 316.493 1.991 10 10 DDCE Nc1ccc(CCNC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 841954104 HWCYAXRHBOUGNE-MRXNPFEDSA-N 300.406 1.467 10 10 DDCE O=C(C[C@H]1CCCS1(=O)=O)NCc1c(O)cccc1F 928712700 UMCKXYNCXUXWLS-SECBINFHSA-N 301.339 1.115 10 10 DDCE O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@]2(O)C[C@H]2C1 853775917 HEGPRSQEESESMO-MAUKXSAKSA-N 313.401 1.729 10 10 DDCE COC(=O)[C@]1(OC)CCN(Cc2c(O)ccc(Cl)c2F)C1 862475299 GOHHGRNNVXKFAY-AWEZNQCLSA-N 317.744 1.949 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cccc(-n2cncn2)c1 768903505 GVKDHPLSZMVFJB-UHFFFAOYSA-N 324.340 1.651 10 10 DDCE O=C(CNC(=O)c1c(F)ccc(O)c1O)NC1CCCCC1 789963170 CUOBEODCIOXHSQ-UHFFFAOYSA-N 310.325 1.416 10 10 DDCE CCO[C@H]1COCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1138136795 OXESQLVTUWMDAB-OLZOCXBDSA-N 320.349 1.773 10 10 DDCE O=C(c1cccc(O)c1O)N1CCC[C@H](C(=O)N2CCCC2)C1 790703279 HFBKFCJWQHPTIQ-LBPRGKRZSA-N 318.373 1.572 10 10 DDCE CC(=O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1O 1150377483 IXLKFSWVGVLYCK-UHFFFAOYSA-N 301.298 1.936 10 10 DDCE COc1c(C(=O)NCCCSc2nccs2)cnn1C 1331348539 SSPVPCKCHNMANN-UHFFFAOYSA-N 312.420 1.797 10 10 DDCE CC1=CC(C(=O)Nc2nc(-c3ccncc3)n[nH]2)=S=C1C=O 1442715352 CMBHVEQJJJKMQM-UHFFFAOYSA-N 313.342 1.042 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)N1CCC[C@H](O)C1 1914140247 BBFRAUGPMJNASI-VIFPVBQESA-N 306.771 1.159 10 10 DDCE COc1ccc(CNCCCN(C)C(=O)c2cn[nH]c2)cc1C 1498524483 UGVQAGLLYRDFQY-UHFFFAOYSA-N 316.405 1.979 10 10 DDCE O=C(CCC(=O)c1ccccn1)NCc1ccc(O)cc1O 1630306838 OGDZXSVMMBPETM-UHFFFAOYSA-N 300.314 1.772 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N(CCO)CC(F)F)cc1 1568565563 GXGDGISRQLUNLD-UHFFFAOYSA-N 300.265 1.549 10 10 DDCE O=C(c1cnc2nc(O)nc(O)c2c1)N1Cc2cccc(O)c2C1 1644088548 ZFOXSVHDKCLIIT-UHFFFAOYSA-N 324.296 1.298 10 10 DDCE COc1ccc(CNC[C@H](O)CN(C)C(=O)[C@H]2C[C@@H]2C)cc1C 1677106322 DWHWPKFWJKNCGK-RCBQFDQVSA-N 320.433 1.569 10 10 DDCE CN(C)c1ccc([C@H](CNC(=O)CN)N2CCCCC2)cc1 1865876408 JNILFCJCUYPJKY-INIZCTEOSA-N 304.438 1.355 10 10 DDCE N[C@@H]1COCCN(Cc2cc(Br)ccc2O)C1 1946804904 SVEUTWFEQUPKRB-NSHDSACASA-N 301.184 1.314 10 10 DDCE CO[C@@H]1CN(C)C[C@H]1Nc1c(N)cccc1Br 1946429937 IVKOGNYCXXCAFF-GHMZBOCLSA-N 300.200 1.772 10 10 DDCE CC1(C)[C@@H](CNCc2cc(F)ccc2O)CCS1(=O)=O 1967858567 TYQVKZVGDTWOEB-LLVKDONJSA-N 301.383 1.834 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CC(N=[N+]=[N-])C2)=C[C@H]1O 1987692938 PAIQYTUUKVAOFF-GHMZBOCLSA-N 323.353 1.092 10 10 DDCE Cc1cccc(CNC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1O 1994456119 HIKGSGLZNHKNEI-GFCCVEGCSA-N 324.377 1.202 10 10 DDCE NCc1ccc(N2C[C@H]3COC[C@H]32)c(F)c1Br 2013472514 BBZKMWHKWQNEPJ-WCBMZHEXSA-N 301.159 1.882 10 10 DDCE CN(C)c1ncc(NC(=O)C=Cc2ccc(O)c(O)c2)cn1 2059688275 IOCUKMGQPSHNBO-UHFFFAOYSA-N 300.318 1.606 10 10 DDCE C[C@@H]1C[S@](=O)CCN1c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 2171962023 DVFVRQAIWVILMQ-VBNKADACSA-N 313.810 1.249 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H](CCO)C3CCCC3)c2n1 2063083668 MTENZDXBNHNYBP-ZDUSSCGKSA-N 318.377 1.414 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN1CCS(=O)(=O)N1CCCCC1 2179613676 RWRSRHOTAMTFHY-GFCCVEGCSA-N 301.416 1.577 10 10 DDCE Oc1ccc(CNCCn2ncc(Br)n2)cc1O 2059143927 MFSXZYPTYWGRBI-UHFFFAOYSA-N 313.155 1.242 10 10 DDCE CC[C@H](NCC(CO)CO)c1cc(Br)ccc1O 2059271565 GRKXVEFJKDOYHL-LBPRGKRZSA-N 318.211 1.796 10 10 DDCE OC[C@H]1COCC[C@@H]1NCc1c(O)cccc1Br 2072979433 ARZLBFAJGUBAEL-CABZTGNLSA-N 316.195 1.642 10 10 DDCE CN1CCN(c2cc(Cl)c(CN)cc2F)[C@H](CCO)C1 2202820250 ILSBIOGHIGZMGV-LLVKDONJSA-N 301.793 1.441 10 10 DDCE NC(=O)CN(Cc1ccc(N)cc1)C[C@]1(Cl)CC1(F)F 2205569694 DAVPEFRRVXRCOF-GFCCVEGCSA-N 303.740 1.573 10 10 DDCE CSCC[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2234171635 NJKNFXWFZMBLAQ-HLTSFMKQSA-N 300.388 1.124 10 10 DDCE CN(CCc1ccc(N)cc1)Cc1nn(C)nc1Br 2226991012 LWBOCTIODJWVPA-UHFFFAOYSA-N 324.226 1.834 10 10 DDCE CC(F)(F)CCS(=O)(=O)CC(=O)c1ccc(O)c(O)c1 2283725972 ZBDHHRBJNKFSRE-UHFFFAOYSA-N 308.302 1.741 10 10 DDCE COc1cc(OC)c(N2CCN[C@H](CCO)C2)cc1Cl 2285851575 RJBMZZARJDCAPJ-SNVBAGLBSA-N 300.786 1.518 10 10 DDCE CCC1(CS(=O)(=O)N2CCC(CN=[N+]=[N-])CC2)COC1 2287124560 XZKLHNPZENATIH-UHFFFAOYSA-N 302.400 1.765 10 10 DDCE Cc1ccc(O)c(C=C2SC(=S)N(CC(=O)O)C2=O)c1 2326970124 RQFDFTBZACPTDZ-UHFFFAOYSA-N 309.368 1.986 10 10 DDCE COC(=O)[C@@H](O)CNCc1ccc(C)c(Br)c1O 2327802114 XBADEZHOFUEYCK-VIFPVBQESA-N 318.167 1.087 10 10 DDCE COC[C@H](CCO)NCc1ccc(C)c(Br)c1O 2327622018 SZJAMTUTQOAGFN-NSHDSACASA-N 318.211 1.950 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 302373691 FNAWXNBWGIEJGA-RBZUQTFTSA-N 320.345 1.988 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)OC)cc1 170760165 OGTVACXBGARTAU-GJZGRUSLSA-N 304.390 1.958 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H](C)[C@@H]2C[C@H]2C(=O)O)s1 2359405191 WOQCXPPFBDQSJA-CNUIFLNQSA-N 315.420 1.773 10 10 DDCE Nc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 36337313 VWYMLDSAXQJSIV-UHFFFAOYSA-N 304.331 1.239 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1cncc(O)c1 186424569 URSUDDHEDZLJSX-TZNOJPMFSA-N 314.341 1.959 10 10 DDCE Cc1ccc(C(=O)Nc2ccc(C(N)=O)c(F)c2)c(O)c1O 182416505 NHEOIRLGCBGOJC-UHFFFAOYSA-N 304.277 1.897 10 10 DDCE CN(CCCCCO)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 319940427 INWONWSRJZBCNS-UHFFFAOYSA-N 309.322 1.525 10 10 DDCE COc1cc([N+](=O)[O-])cc([C@@H]2N[C@H](C(=O)O)CS2)c1O 83242833 QIQUZHIOEYWBAH-OIBJUYFYSA-N 300.292 1.097 10 10 DDCE CCN(CCCNCc1ccc(OC)cc1O)S(C)(=O)=O 40906806 HNRXZUYPHSMEFG-UHFFFAOYSA-N 316.423 1.162 10 10 DDCE C[C@H]1CO[C@H](C)CN1S(=O)(=O)CCOc1ccc(N)cc1 226998643 FITYMPRISBDBFQ-NWDGAFQWSA-N 314.407 1.087 10 10 DDCE CN1CCCN(c2ccc(CN)cc2Br)CC1=O 228900395 MHODCRDFSZCEIV-UHFFFAOYSA-N 312.211 1.576 10 10 DDCE CCOc1cccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1O 245751117 NTMUDQQGJTZBOO-ZBFHGGJFSA-N 320.433 1.943 10 10 DDCE COC[C@@H](O)[C@H](N)c1ccc(OCc2ccccc2)cc1O 709992972 LXXZSCLLKVXRLL-IAGOWNOFSA-N 303.358 1.978 10 10 DDCE COc1cc(O)c(CNC[C@@H](CO)c2cccnc2)cc1OC 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DDCE CC(=O)c1cc(F)cc(CN2CC[C@H](O)C(F)(F)C2)c1O 852411125 DZGRIHPRNMTRJH-LBPRGKRZSA-N 303.280 1.936 10 10 DDCE CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 857335024 PQEPXYRDSRIEMC-SNVBAGLBSA-N 324.352 1.614 10 10 DDCE O=S(=O)(CCN[C@H]1CCc2cccc(O)c21)CC(F)(F)F 850518726 VDKAHTQNUPASGS-JTQLQIEISA-N 323.336 1.946 10 10 DDCE C[C@@H]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2O)CS1(=O)=O 850369315 VDAWFBMZDMIDKZ-MWLCHTKSSA-N 314.363 1.356 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(C)c(N2CCOCC2)c1 869691584 YDXBKZCYIVSSSV-UHFFFAOYSA-N 305.330 1.147 10 10 DDCE C[C@@H]1CSCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1118953298 RISBGUMAFPGWRC-NSHDSACASA-N 320.414 1.446 10 10 DDCE CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 773027504 WRJWOWAPSBECPB-IAQYHMDHSA-N 321.446 1.851 10 10 DDCE COC(=O)[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 895789874 DNFABWVTUPWJET-MRVPVSSYSA-N 321.354 1.948 10 10 DDCE [N-]=[N+]=NCCN[C@@H](C(=O)O)c1cnn(Cc2ccccc2)c1 394493648 CXEPAEFHMAHQDK-CYBMUJFWSA-N 300.322 1.957 10 10 DDCE 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324.421 1.898 10 10 DDCE CO[C@H]1COC[C@H]1NCc1ccc(Br)cc1O 2008134693 PZRYROUMPJPAMA-PWSUYJOCSA-N 302.168 1.658 10 10 DDCE COc1ncc(S(=O)(=O)N2CCC[C@H](N=[N+]=[N-])C2)s1 403644768 DRTXNEFRTXNVKY-ZETCQYMHSA-N 303.369 1.615 10 10 DDCE C[C@H](CCS(C)(=O)=O)N(C)CCOc1ccc(N)cc1 2160764357 QMFSKTMXWACUJX-GFCCVEGCSA-N 300.424 1.403 10 10 DDCE CCNC(=O)CCNCc1c(O)cccc1Br 706863352 FALGRSJIGFVTAN-UHFFFAOYSA-N 301.184 1.771 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCCN(S(=O)(=O)CC2CC(=O)C2)C1 2173322654 NSIBVLZTWFSVDP-JTQLQIEISA-N 300.384 1.708 10 10 DDCE CCc1nn(C)cc1NC(=O)c1cnn2c(O)cc(C)nc12 2062225604 CYKOJXNLTUVVGW-UHFFFAOYSA-N 300.322 1.292 10 10 DDCE O=C1Nc2cc(N3CCOC[C@H]3CF)c(Cl)cc2[C@@H]1O 2182594849 BGVVPGWQZWYCND-KRTXAFLBSA-N 300.717 1.500 10 10 DDCE C[C@H](N)c1cc(F)c(N2CCS(=O)(=O)[C@@H](C)C2)c(F)c1 2194695072 QUUCQOZEIPIUHH-IUCAKERBSA-N 304.362 1.608 10 10 DDCE C[C@H](N)c1ccc(N2CC(=O)N[C@@H]3CC[C@@H]32)cc1Br 2112059441 YBMHDUFTIZFIBG-CKLFPEKLSA-N 324.222 1.936 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2ccc(=N)[nH]c2)s1 2269095009 VKCQEXSDSBIOPC-UHFFFAOYSA-N 316.433 1.151 10 10 DDCE CN(C)S(=O)(=O)[C@@H]1CCN(Cc2c(O)cccc2Cl)C1 2279279551 FDEQQFCUNJXOOA-SNVBAGLBSA-N 318.826 1.511 10 10 DDCE Nc1cccc(Br)c1N[C@H]1CCC[C@@H](O)[C@H]1O 2297938877 UQVFCRNUMMZOBF-UMNHJUIQSA-N 301.184 1.718 10 10 DDCE CC[C@@H](C)N1C(=O)C(=CNN2CCCCCC2)C(=O)NC1=S 2296110017 CYDOMTUFKOSRSB-LLVKDONJSA-N 324.450 1.293 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H]3C[C@H]3[C@@H]2C(=O)O)s1 2284504946 QNWLKCRWFAMGLQ-NBEYISGCSA-N 313.404 1.480 10 10 DDCE CCc1nsc(CNS(=O)(=O)Cc2ccc(N)cc2)n1 2288695789 QBEGUXPEIMISMS-UHFFFAOYSA-N 312.420 1.302 10 10 DDCE Cc1ccc(CN(C)C(=O)CNO)c(O)c1Br 2307465362 FWLCRVDWGFXMHC-UHFFFAOYSA-N 303.156 1.400 10 10 DDCE Cc1ccc(CN2CC[C@@](O)(CO)C2)c(O)c1Br 2327624886 WBVONPYTDDCBEH-ZDUSSCGKSA-N 316.195 1.392 10 10 DDCE Cc1ccc(CNC(=O)c2nc[nH]n2)c(O)c1Br 2327791315 ZLIJHZRCEAUOIG-UHFFFAOYSA-N 311.139 1.511 10 10 DDCE C[C@@H]1CN(c2ccc(CNS(C)(=O)=O)cc2F)C[C@@H](C)O1 56110065 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DDCE Cc1c(C(=O)N(CC(=O)O)Cc2ccccc2O)ccn1C 911494671 VZSINJCCWSZKTD-UHFFFAOYSA-N 302.330 1.766 10 10 DDCE O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1COC2(CCC2)C1 849361253 YNACRGDTIBLZGL-CYBMUJFWSA-N 316.357 1.868 10 10 DDCE COc1ccc(N2CCN(C(=O)NC/C=C\CN)CC2)cc1F 841994189 CNVJGLNBOWDYSO-IHWYPQMZSA-N 322.384 1.181 10 10 DDCE COc1ccc(N2CCC(NCC[C@H]3CNC(=O)C3)CC2)cc1 922778013 DQSFXUFALBBIQR-CQSZACIVSA-N 317.433 1.780 10 10 DDCE COc1ccc(N2CC[C@@H](N[C@H](C)CS(C)(=O)=O)C2)cc1 850489621 WDZGBRVAMYKROX-CHWSQXEVSA-N 312.435 1.297 10 10 DDCE CC[C@H](N)CN1CC2(CCNCC2)Nc2cc(OC)ccc21 76931225 RUPYKQMASWIAIC-ZDUSSCGKSA-N 304.438 1.787 10 10 DDCE NCc1ccc(N2CC(N3CCCC3=O)C2)cc1Br 2125803849 ABMGQTINXMQZMN-UHFFFAOYSA-N 324.222 1.719 10 10 DDCE O=C(O)[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 1335465303 MUVSFHFIXCMOIX-HOTGVXAUSA-N 320.389 1.245 10 10 DDCE CN(C/C=C\C(=O)NCc1cccc(O)c1O)CC(F)(F)F 1350300686 WRHVIAYNISSUSB-UTCJRWHESA-N 318.295 1.764 10 10 DDCE CN(CCCN=[N+]=[N-])CCS(=O)(=O)N1CCCCCC1 1912200897 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COC(=O)c1coc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c1 1642666144 TZMWHCMRWWXAMX-HYXAFXHYSA-N 317.297 1.807 10 10 DDCE COC(=O)C12CCC(C(=O)NCc3cc(O)ccc3O)(CC1)C2 1593872947 HNYPWNUVKPUZHX-UHFFFAOYSA-N 319.357 1.838 10 10 DDCE O=C(O)c1ccc(/C=C2\SC(=S)N(CCCO)C2=O)cc1 16904781 VEDCJJVLGSBIEC-FLIBITNWSA-N 323.395 1.968 10 10 DDCE CC[C@@H](C)N/C=C1/C(=O)NC(=O)N(c2ccccc2OC)C1=O 19595336 FSULHFBFOYBDMK-QLWWJYNRSA-N 317.345 1.550 10 10 DDCE CCCN(C(=O)[C@H]1CCCCS1(=O)=O)c1ccc(N)cc1 167848817 JOKQLCWFJICWRS-CQSZACIVSA-N 310.419 1.979 10 10 DDCE Nc1ccc(OCC(=O)N[C@H]2CCCC3(C2)OCCO3)cc1 1876434143 MMVSYEICFGPVSD-ZDUSSCGKSA-N 306.362 1.450 10 10 DDCE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCCN=[N+]=[N-] 1885561396 QTRFWWROTYFDIP-VIFPVBQESA-N 301.347 1.343 10 10 DDCE C[C@@H]1CCN(c2ccc(CO)c(Br)c2)[C@H]1C(N)=O 2029788796 UTOTVKXNSGONCR-PRHODGIISA-N 313.195 1.642 10 10 DDCE CSC[C@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1 400203690 HFAJVMOEHGSSOU-CYBMUJFWSA-N 300.449 1.926 10 10 DDCE C[C@H]1[C@H](C)S(=O)(=O)CCN1c1ccc([C@@H](C)O)cc1F 2170330513 QBZGBLBKUJGVAP-AXFHLTTASA-N 301.383 1.891 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCCN(S(=O)(=O)CC2CC(=O)C2)C1 2173322655 NSIBVLZTWFSVDP-SNVBAGLBSA-N 300.384 1.708 10 10 DDCE CNCc1cc(F)c(N2CC[C@@H](S(C)(=O)=O)C2)c(F)c1 2179911997 VUGPWHHDIVTAGR-SNVBAGLBSA-N 304.362 1.308 10 10 DDCE O=S(=O)(Nc1ccc(O)c(C(F)(F)F)c1)c1nc[nH]n1 2179135386 ADEJXJBXTMMFQK-UHFFFAOYSA-N 308.241 1.330 10 10 DDCE NCc1cc(F)c(N2CCO[C@@H]3C[C@H](O)C[C@@H]32)cc1Cl 2185303756 BWWYJRBTYRDRDJ-BIGNPOOSSA-N 300.761 1.666 10 10 DDCE Nc1ccc(CCC(=O)N2CCCC[C@@H]2C2OCCO2)cc1 2089560508 DAZSAQDTBZFOFW-OAHLLOKOSA-N 304.390 1.955 10 10 DDCE O=S1(=O)C[C@@H]2CN(Cc3ccc(Cl)cc3O)C[C@H]2C1 2090129227 QMHSOCKDTAKHPU-QWRGUYRKSA-N 301.795 1.522 10 10 DDCE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)Cc2ccc(N)cc2)C1 2095718424 DUMXYXLRHCTUTG-SWLSCSKDSA-N 304.390 1.811 10 10 DDCE CCCN(CCS(C)(=O)=O)c1ccc(OC)cc1CO 2236001491 GQDMQWBFEHKOAX-UHFFFAOYSA-N 301.408 1.449 10 10 DDCE CO[C@@H]1CCNC[C@@H]1C(=O)NCc1cnc(SC)s1 2269095973 PLRIJJOYHIRKAL-VHSXEESVSA-N 301.437 1.106 10 10 DDCE CN(C)CC1(O)CN(c2ccc(CO)c(Br)c2)C1 2320541149 IXFUQWFZGRESAO-UHFFFAOYSA-N 315.211 1.054 10 10 DDCE Cc1ccc(CN=c2[nH]n(C)cc2N)c(O)c1Br 2327587382 XWNOPCDVLGOXLB-UHFFFAOYSA-N 311.183 1.813 10 10 DDCE CN[C@@](CSc1nccs1)(C(=O)OC)C(C)(C)OC 2340729892 GTRYOPZQHPBAMC-LBPRGKRZSA-N 304.437 1.791 10 10 DDCE C[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1O 305760835 KNWAWSDYRDHBRG-XJKSGUPXSA-N 305.422 1.072 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(=O)n(C)c2)c1 171720434 KHXFOQVLAYGULU-SNVBAGLBSA-N 317.345 1.982 10 10 DDCE COCCN(CCOC)C(=O)[C@@H](C)Cc1ccc(O)c(O)c1 170245341 OEXRUNDCLMFUEP-LBPRGKRZSA-N 311.378 1.398 10 10 DDCE COc1ccc(CN2CCN(c3cc(C)[nH]n3)CC2)c(O)c1 189020144 UWIKJNMLMORNJG-UHFFFAOYSA-N 302.378 1.755 10 10 DDCE CCOC(=O)[C@@](C)(N)c1cc(Br)cc(OC)c1O 1952265665 MLFREUINKSKSBC-LBPRGKRZSA-N 318.167 1.900 10 10 DDCE CNC[C@@H]1CN(c2c(Cl)cc(OC)cc2OC)CCO1 2368284326 BMPFDLMWCPZQED-LLVKDONJSA-N 300.786 1.782 10 10 DDCE Cc1noc(NS(=O)(=O)CCOc2ccc(N)cc2)c1C 88245095 GVBJSUIWJOWVIM-UHFFFAOYSA-N 311.363 1.694 10 10 DDCE Nc1ccc(CC(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1 237888092 QWWLIIXRQRELBH-INIZCTEOSA-N 317.433 1.382 10 10 DDCE CC(=O)N(C(=O)NC(=O)c1ccccc1N)c1ccc(N)cc1 244140203 UOVQSKCVUHTIAK-UHFFFAOYSA-N 312.329 1.754 10 10 DDCE CCOCCN1CCN(Cc2cc([N+](=O)[O-])ccc2O)C[C@H]1C 247813883 VSJBYEHBVOMNGY-CYBMUJFWSA-N 323.393 1.843 10 10 DDCE CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCc1ccc(N)cc1 372572121 OFKSTOHAEQJICZ-HDMKZQKVSA-N 317.433 1.460 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](O)C1CCC1 819700259 VOSZIBFHOISCJY-INIZCTEOSA-N 321.373 1.445 10 10 DDCE COC[C@@]1(C(=O)OC)CCCN1Cc1cc2c(cc1O)OCO2 827488798 LIHUKCHDCHBOBM-MRXNPFEDSA-N 323.345 1.275 10 10 DDCE COc1cc(O)c(CN(CCO)[C@H]2CCO[C@H]2C)cc1OC 825130179 OZYHDBUMLXEBPN-AAEUAGOBSA-N 311.378 1.381 10 10 DDCE CC[C@H](C)NC(=O)CCNC(=O)/C=C\c1ccc(O)c(O)c1 588403903 GLJUVWUQEUXMIY-XOIDGJRKSA-N 306.362 1.532 10 10 DDCE COc1cccc(CNC(=O)/C=C(\C)CN2CCOCC2)c1O 901126164 AOHKZYDIRJZYHU-JLHYYAGUSA-N 320.389 1.296 10 10 DDCE Cc1cc(N(C)C(=O)c2c(C)c[nH]c2CC(N)=O)ccc1O 913526568 JGEDLMNXYSBBLQ-UHFFFAOYSA-N 301.346 1.642 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@H](C)[C@@H](C(=O)O)C2)c1O 843040923 MCFCXWBZAKACMB-ONGXEEELSA-N 324.333 1.852 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@H]2CC[C@H]1CN2 844225031 VSRXMFDMSPOJOM-WBVHZDCISA-N 316.449 1.147 10 10 DDCE NC[C@H](NCc1ccc(N2CCOCC2)cc1)C(F)(F)F 848715744 LDKGNAGSCPICTK-ZDUSSCGKSA-N 303.328 1.502 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H](C)O)C2)cc1 854299344 OLDRJDHCOMQTHU-OLZOCXBDSA-N 307.394 1.344 10 10 DDCE CN1C[C@@H](CCNC(=O)N2Cc3cccc(O)c3C2)CC1=O 924762456 UENIVNQLWKZONJ-NSHDSACASA-N 303.362 1.286 10 10 DDCE C[C@@H](NC[C@@]1(CCO)CCOC1)c1cc([N+](=O)[O-])ccc1O 756656399 XFCSWVGPOGRGJW-IAQYHMDHSA-N 310.350 1.740 10 10 DDCE COCC1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 865913824 VQRKBVWTACXAAE-GQCTYLIASA-N 306.318 1.864 10 10 DDCE Oc1c(CN2CCN(Cc3nc[nH]n3)CC2)ccc(F)c1F 1119516052 NMXNOXQWVAIYDK-UHFFFAOYSA-N 309.320 1.106 10 10 DDCE Cc1ccc(O)c(CNS(=O)(=O)c2cnn(CC3CC3)c2)c1 1118821769 OAPLIZJLFVUGAX-UHFFFAOYSA-N 321.402 1.786 10 10 DDCE CCC(=O)N1CCC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 871200529 FIAIHQMYZYUQQH-ZDUSSCGKSA-N 302.374 1.883 10 10 DDCE O=S1(=O)CC(CCNCc2cc(Cl)cc(F)c2O)C1 787416250 ABMGUSMBJKLBOL-UHFFFAOYSA-N 307.774 1.709 10 10 DDCE CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCCCN=[N+]=[N-] 701270397 IZTFCXWOYLTZHK-SNVBAGLBSA-N 303.388 1.007 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H]4C[C@H]43)c(Br)cc21 706974677 SQURKDOTJIOGFR-CXTDYRRUSA-N 308.179 2.000 10 10 DDCE NC[C@]1(CO)COCCN1Cc1cc(Cl)cc(Cl)c1O 693981717 DYASMMFNPKSCLW-ZDUSSCGKSA-N 321.204 1.221 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@H]2CCNC2=O)cc1Br 1916799568 IDWPMDMOLBSAJZ-UFBFGSQYSA-N 313.195 1.827 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CCCO1 1333045745 NONXAUZTBNTZBH-CYBMUJFWSA-N 306.362 1.036 10 10 DDCE CN(C)CCn1cc(NC(=O)NCc2c(O)cccc2F)cn1 1262274685 GNJFGZDSERUTCS-UHFFFAOYSA-N 321.356 1.611 10 10 DDCE O=C(NCc1cc(NC(=O)[C@@H]2C[C@@H]2F)ccc1O)[C@@H]1C[C@@H]1F 1347278290 HWCWWTONVRFADY-WYUUTHIRSA-N 310.300 1.663 10 10 DDCE CC[C@H]1CO[C@H](C)CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1351809541 KDZVOOFGDZULAV-YPMHNXCESA-N 318.373 1.260 10 10 DDCE O=C(CCN1C(=O)CSC1=S)NCc1ccc(O)cc1 1865765618 HUXXBYOQFUFYEY-UHFFFAOYSA-N 310.400 1.259 10 10 DDCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1ccsc1S(C)(=O)=O 1912147477 JIUXARLAKHSAFR-QMMMGPOBSA-N 318.380 1.266 10 10 DDCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC2(CCOCC2)O1 1297400325 IQEOXGKZWPXHJZ-GFCCVEGCSA-N 321.373 1.437 10 10 DDCE COC(=O)c1nc(C(=O)N2Cc3cccc(O)c3C2)cs1 1471355437 ITFXMWNORQKRDV-UHFFFAOYSA-N 304.327 1.791 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(CO)c1 1632680921 IMMZNVAEPGWWCD-SNVBAGLBSA-N 302.330 1.346 10 10 DDCE CCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1735561219 CGFQOUOVZCEGSK-MNOVXSKESA-N 323.393 1.522 10 10 DDCE NS(=O)(=O)c1cc(C(=O)N2Cc3cccc(O)c3C2)cs1 1643169301 QAKKMGYTFCMXBE-UHFFFAOYSA-N 324.383 1.257 10 10 DDCE CCN(C)c1ccc(CN2C[C@H](C)O[C@H](C(=O)OC)C2)cc1 1643676954 WZUNKCZSSFLHNI-BBRMVZONSA-N 306.406 1.905 10 10 DDCE Cc1ccc(O)c(CNC(=O)NCc2nnc(O)n2C2CC2)c1 1684882499 VGDRUBPSFIKSGL-UHFFFAOYSA-N 317.349 1.332 10 10 DDCE CN(C)c1ccc(CNC(=O)Nc2cnc(N(C)C)nc2)cc1 155160438 CRFNGXCASSMCGB-UHFFFAOYSA-N 314.393 1.930 10 10 DDCE COc1ccc(N2CCC(NC(=O)CC[S@@](C)=O)CC2)cc1 155399240 XMJWEDAZMZWDKH-QFIPXVFZSA-N 324.446 1.549 10 10 DDCE Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cc(O)cc1C2=O 14814435 DDTNCHWMNZLWKO-UHFFFAOYSA-N 314.249 1.585 10 10 DDCE endogenous,in-man CS[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 235156548 SWTJFNDAGPCPNF-QWHCGFSZSA-N 300.449 1.972 10 10 DDCE NC(=O)CN(CCSC(F)(F)F)Cc1ccc(N)cc1 127709414 CDXNPBROIXSBSF-UHFFFAOYSA-N 307.341 1.809 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)c1cccc(O)c1O 1962353528 RJMINQUTYCLZKO-VHSXEESVSA-N 308.334 1.493 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)Nc1ccc(N)cc1 1985854710 UWLDRYIGZCNFFD-LBPRGKRZSA-N 324.381 1.276 10 10 DDCE C[C@H](O)c1ccc(N(C)CCS(=O)(=O)N(C)C)c(Cl)c1 2151050640 SYXPPNJHVVTPNZ-JTQLQIEISA-N 320.842 1.721 10 10 DDCE Oc1cccc(Br)c1CN[C@@H]1C[C@H](O)C[C@H]1O 2000834593 VNTXDYAHVMGBNA-HNBZJPLGSA-N 302.168 1.129 10 10 DDCE NC[C@@H]1C[C@H](O)CN1Cc1ccc(Br)cc1O 2014247800 NKHKWHUIGWINIC-QWRGUYRKSA-N 301.184 1.049 10 10 DDCE CCCO[C@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H]1CN=[N+]=[N-] 2179618949 NJMNINAQHZMCSM-WOPDTQHZSA-N 302.400 1.353 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1Br 2043130132 WUPXFYQXGNHGDP-IEBDPFPHSA-N 315.211 1.401 10 10 DDCE CNCc1ccc(N2C[C@@H](F)[C@H](CO)C2)cc1Br 2057012084 GXLIVOHDLKYZFN-GXFFZTMASA-N 317.202 1.935 10 10 DDCE C[C@]1(O)CCN(c2ccc(CN)cc2Br)C[C@@H]1O 2077302506 RCOLYFBLBAAALS-STQMWFEESA-N 315.211 1.230 10 10 DDCE CS(=O)(=O)C[C@@H]1CCN(c2ccc(CN)c(Cl)c2)C1 2087362152 HLFPZZFWVSWNHS-SNVBAGLBSA-N 302.827 1.670 10 10 DDCE NCc1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c(Cl)c1 2094930401 LCBXWVLNHSFWKV-MFKMUULPSA-N 300.811 1.422 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1CCC[C@H](O)[C@@H]1O 2217641744 IPKLHCQQVGLGEW-NTZNESFSSA-N 316.195 1.519 10 10 DDCE COc1ccc(Br)c(CNCC(OC)OC)c1O 2220462513 MQAVVJUWTUFHNZ-UHFFFAOYSA-N 320.183 1.872 10 10 DDCE COc1ccc(Br)c(CN[C@H]2COC[C@H]2F)c1O 2220456402 LWUFXKNHLIVZHB-ZJUUUORDSA-N 320.158 1.990 10 10 DDCE CNCc1cnc(SCCOCCOCCOC)s1 2231752172 ZHSBHVMMPLXCGA-UHFFFAOYSA-N 306.453 1.634 10 10 DDCE COc1ccc(C=C2SC(=S)N(NC(C)=O)C2=O)cc1 2297259292 HFMUELHXGBWHTI-UHFFFAOYSA-N 308.384 1.948 10 10 DDCE COc1ncc(/C=C\C(=O)N2CCOc3nc(C)ccc32)cn1 492678712 JKENRCKCGCGVHO-XQRVVYSFSA-N 312.329 1.627 10 10 DDCE Cc1ccc(N(C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 101527152 VMEGLRWCRQMLJZ-JXMROGBWSA-N 313.357 1.069 10 10 DDCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCNC(N)=O)c1 118657930 ZSQWHLIYSGGLQX-UHFFFAOYSA-N 314.389 1.801 10 10 DDCE CC(C)n1c(SCC(=O)c2ccc(O)c(O)c2)n[nH]c1=O 61596222 FLLHWRRELLMERC-UHFFFAOYSA-N 309.347 1.539 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)[C@]12CCC[C@H]1CS(=O)(=O)C2 2362981546 PFIAIBWSZSUNOZ-JQWIXIFHSA-N 300.384 1.360 10 10 DDCE COC(=O)[C@@H](N)c1cc(I)ccc1O 95780777 DTHHHVPNRFCGGB-QMMMGPOBSA-N 307.087 1.170 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(C)c1Cc1ccccc1 808543192 PXYZBABPFGHOLM-UHFFFAOYSA-N 300.314 1.326 10 10 DDCE CCc1[nH]nc(C(=O)OCC(=O)C(C)=O)c1Br 808545485 CMCZAGCQUYQLTP-UHFFFAOYSA-N 303.112 1.050 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)nc(NC)n1 819755022 CDGTVAGNGDPQGX-UHFFFAOYSA-N 321.377 1.948 10 10 DDCE C[C@@H]1OC[C@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@@H]1C 926855733 WAFIXJPOMXUDMA-VKJFTORMSA-N 303.450 1.951 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)CC(C)C)C2)cc1 852844483 VBRQGCVJTFVVIN-CJNGLKHVSA-N 305.422 1.764 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](O)C3CC3)C2)cc1 854301046 GWUPTMVYLOJULM-XJKSGUPXSA-N 319.405 1.344 10 10 DDCE Cn1cc([C@H](CO)NCc2ccc(N3CCOCC3)cc2)cn1 756994035 KELOHJJYPHTHAR-KRWDZBQOSA-N 316.405 1.080 10 10 DDCE COCCOCCN(CCO)Cc1cc(Cl)c(F)cc1O 862469060 XLEQKDUSRAVESS-UHFFFAOYSA-N 321.776 1.642 10 10 DDCE O=C1OC[C@H]2CN(Cc3ccc(Br)cc3O)C[C@@H]12 862546546 NILOCYYQWXWBSH-MWLCHTKSSA-N 312.163 1.760 10 10 DDCE CCOC(=O)c1cc(C(=O)N2Cc3cccc(O)c3C2)on1 871205539 UZCRTPPWKSKHFJ-UHFFFAOYSA-N 302.286 1.713 10 10 DDCE Nc1ccc(CS(=O)(=O)CC(=O)Nc2ccccc2)cc1 58235747 SRRAWUPNODEMQY-UHFFFAOYSA-N 304.371 1.822 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](O)c1ccccc1C(F)(F)F 885121625 OFMGPJZRJNEOCR-NSHDSACASA-N 304.220 1.440 10 10 DDCE Cc1cc(Br)c(O)c(CN[C@H]2CC(=O)N(C)C2)c1 781630802 LEPOPVKFHSKJPK-JTQLQIEISA-N 313.195 1.783 10 10 DDCE COc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1C 797646696 HOYQXHRJYYZBEO-VIFPVBQESA-N 320.349 1.593 10 10 DDCE Oc1cc(Br)ccc1CN1CCO[C@@H]2CNC[C@H]21 686532491 ISORJXQUBZYZBT-DGCLKSJQSA-N 313.195 1.327 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H](C1CC1)[C@@H]1CCCOC1 1304414257 DMKZRVMWCZUYDO-CXAGYDPISA-N 305.374 1.962 10 10 DDCE Cn1ccc(-c2cc(C(=O)NCc3ccc(O)c(O)c3)no2)n1 1150376736 CACHVHGNXSXZAP-UHFFFAOYSA-N 314.301 1.416 10 10 DDCE C[C@@H](NC(=O)C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(N(C)C)cc1 1328096580 GQMBXAXTYOVRGS-REBRKWNGSA-N 315.417 1.845 10 10 DDCE C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)C(=O)N1Cc2cccc(O)c2C1 1331874198 BMCPHQIVVCDDMS-SAXRGWBVSA-N 314.385 1.643 10 10 DDCE CO[C@H]1CC[C@@H](C)N(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1348678498 RRZSREUDVFABNO-YPMHNXCESA-N 318.373 1.260 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCN2CCCOCC2)cc1 1447985866 GRKGOIKWKMFROT-UHFFFAOYSA-N 319.365 1.301 10 10 DDCE C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1294963568 IFRYQXBGNLKXKE-GXFFZTMASA-N 320.349 1.773 10 10 DDCE NC(=O)c1ccc(/C=C\C(=O)NCc2ccc(O)c(O)c2)o1 1294870219 RDGNGDFIIJLRAZ-UTCJRWHESA-N 302.286 1.119 10 10 DDCE CCOc1cc(CNCCCO)ccc1N1CCC(O)CC1 212053587 DQDNENOBILOKPZ-UHFFFAOYSA-N 308.422 1.518 10 10 DDCE CC(C)(C)OC(=O)N1CC(CO)(NCc2ccc(O)c(O)c2)C1 1918434317 UVFFGNOMLVJSNL-UHFFFAOYSA-N 324.377 1.169 10 10 DDCE O=C(NCc1cnn2ccccc12)c1c(F)ccc(O)c1O 1611291604 DNSWYRFEJMTPHG-UHFFFAOYSA-N 301.277 1.815 10 10 DDCE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)Cc3ccc(O)c(O)c3)[C@@H]2C1 1558615925 KHABKQCQTROGKT-LPWJVIDDSA-N 319.357 1.344 10 10 DDCE COC[C@H](C)N[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1714309557 QBHZDRLOAYQATB-MNOVXSKESA-N 321.381 1.592 10 10 DDCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2nc[nH]n2)c1 1626842768 FUPSUSPOIJNJLY-UHFFFAOYSA-N 323.356 1.955 10 10 DDCE CC(C)C(=O)NC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1494600454 NGLFOLBWGHFGGU-JTQLQIEISA-N 319.365 1.740 10 10 DDCE Cc1ccc(O)c(CNC(=O)Cn2nnc(-c3ccccc3)n2)c1 1641729385 PDTXUMQCTOAXRH-UHFFFAOYSA-N 323.356 1.671 10 10 DDCE CCOC(=O)C1(CC(=O)NCc2cc(O)ccc2O)CCC1 1651225613 QIBSHGHTHZDVAD-UHFFFAOYSA-N 307.346 1.838 10 10 DDCE C[C@H](NC(=O)c1cccc(-n2cncn2)n1)c1ccccc1O 1587451470 WFRCNLWKOHKGQY-NSHDSACASA-N 309.329 1.859 10 10 DDCE C[C@@H](O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1866099116 ZQSPJYUWLIGQCP-RHSMWYFYSA-N 319.449 1.777 10 10 DDCE Cc1ccc(O)c(CNCCC(=O)N(C)C2CCN(C)CC2)c1 1857864595 WKVPKXFXQZAFCE-UHFFFAOYSA-N 319.449 1.733 10 10 DDCE Cc1ccc(O)c(CNCCn2ncc(Br)n2)c1 1875998130 OFUFCSNVXPPUOX-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCN=[N+]=[N-] 1885561023 LTLMRGLOPSIMAB-DTWKUNHWSA-N 301.347 1.029 10 10 DDCE Cn1cc(C(=O)NCCCN=[N+]=[N-])c(=NC(=O)OC(C)(C)C)[nH]1 1964885044 WDRUNXXAORIKJO-UHFFFAOYSA-N 323.357 1.619 10 10 DDCE CC[C@H](CS(C)(=O)=O)N[C@@H](C)c1ccc(OC)cc1O 2146299557 MNXSGIXPQPMUBX-WDEREUQCSA-N 301.408 1.875 10 10 DDCE CN(C)[C@@H]1CN(c2ccc(CO)cc2Br)C[C@@H]1O 2029434779 LAVHBCPKXUTLSH-OLZOCXBDSA-N 315.211 1.053 10 10 DDCE C[C@@H]1SCC[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 313328028 KVHLNOSXFMODGF-GXFFZTMASA-N 316.448 1.461 10 10 DDCE C[C@@H](C(N)=O)N(C)c1ccc([C@@H](C)N)cc1Br 723181287 DZZKPKAEJSTBFY-SFYZADRCSA-N 300.200 1.779 10 10 DDCE COc1ccc(O)c(Cn2ncc(S(C)(=O)=O)c2Cl)c1 2070245141 VSCGPBPKUBNHRI-UHFFFAOYSA-N 316.766 1.703 10 10 DDCE CC[S@@](C)(=O)=NCCNCc1cc2c(cc1O)OCO2 2187309702 NEBFVPDZOQIVGN-HXUWFJFHSA-N 300.380 1.328 10 10 DDCE Nc1ccc(OCCN=c2[nH]ccnc2Br)cc1 2054561677 QJSUCRSQDDLIRL-UHFFFAOYSA-N 309.167 1.734 10 10 DDCE CO[C@H]1COC[C@@H]1N(C)c1ccc(CO)c(Br)c1 2057136615 BNDUSVGUJSIYTA-STQMWFEESA-N 316.195 1.791 10 10 DDCE COCCOCCOCCSc1ncc([C@@H](C)N)s1 2231743847 GESKFYRQISUTGM-SNVBAGLBSA-N 306.453 1.935 10 10 DDCE NCc1ccc(N2CCC[C@@H]2CC(N)=O)c(Br)c1 2257767931 QPKPLNRQMACSMZ-SNVBAGLBSA-N 312.211 1.752 10 10 DDCE COc1cc(OC)c(N2CCNC[C@H]2C(=O)O)cc1Cl 2285872474 QJSHARCVQCYGGY-JTQLQIEISA-N 300.742 1.220 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\c1ccncn1 492433674 BVYGYXGZJQSDFH-UTCJRWHESA-N 310.357 1.981 10 10 DDCE C[C@H](C(=O)NC(=O)NC1CCCC1)N(C)Cc1ccccc1O 109769883 BJYWMEUBVSPKLS-GFCCVEGCSA-N 319.405 1.981 10 10 DDCE CCN(CCNCCF)C(=O)c1ccc(N=NC(N)=O)cc1 1268499136 ALVDBNWLKKUFGU-UHFFFAOYSA-N 309.345 1.870 10 10 DDCE C[C@@H](NCc1ccccc1O)c1ccc(S(N)(=O)=O)cc1 36954853 XKFWLAKTZOINFH-LLVKDONJSA-N 306.387 1.890 10 10 DDCE CNC(=O)C(C)(C)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 183217667 ZGIGGFCTKUEYSU-AWEZNQCLSA-N 319.449 1.946 10 10 DDCE COC(=O)[C@@H](CC(C)C)NS(=O)(=O)Cc1ccc(N)cc1 43429779 CIVBGHXLYWGGCT-CYBMUJFWSA-N 314.407 1.276 10 10 DDCE COc1cc(N(C)Cc2nc(N(C)C)no2)cc(OC)c1OC 192727703 FDUUCQGWNXKUIG-UHFFFAOYSA-N 322.365 1.798 10 10 DDCE COC(=O)CCCNC(=O)CN(C)c1ccc(OC(C)C)cc1 191582554 FKMWONFWTCXXAH-UHFFFAOYSA-N 322.405 1.979 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4[C@@H](O)CC[C@H]4C3)c(Cl)cc21 252867711 NBHIEUFPIDGVPH-LZSZVNACSA-N 307.781 1.499 10 10 DDCE CC1(C)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1O 388155516 JETYJAJRNGMXLT-LBPRGKRZSA-N 307.306 1.133 10 10 DDCE Nc1ccc(CNS(=O)(=O)C[C@H]2C[C@@H]2C(F)(F)F)cc1 2164633795 MEAUKRFKCSAHLE-KOLCDFICSA-N 308.325 1.887 10 10 DDCE CC(=O)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1N 808011000 MRBULLBOBOYXPM-UHFFFAOYSA-N 310.766 1.563 10 10 DDCE COC(=O)c1cc(Br)cc(OCC(=O)C(C)=O)c1 808032732 XIKGQGOLQYVNTK-UHFFFAOYSA-N 315.119 1.773 10 10 DDCE CC(C)COc1ccccc1NC[C@@H](O)CN1CCOCC1 819416083 LTICPQLSNBHHIR-OAHLLOKOSA-N 308.422 1.826 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@@H]2CCO[C@@H]2C(=O)O)cc1 901960576 HRINNSJQCUFICC-XJNRFOTBSA-N 304.390 1.845 10 10 DDCE Nc1ccc(Cc2noc([C@@H]3CCc4nncn4CC3)n2)cc1 904076720 GSEMKIBKPNWHFN-GFCCVEGCSA-N 310.361 1.954 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@H](O)CN2CCCC2)cc1 835037458 WHBJZJDDRWXWHZ-XFHJGTJQSA-N 303.450 1.812 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCCS(=O)(=O)CC2)cc1 835029371 PRLDIKLAXMFDHY-HYXAFXHYSA-N 308.447 1.886 10 10 DDCE CN(C)c1ccc(/C=C\CNC2CC(NS(C)(=O)=O)C2)cc1 835049892 NGIKUVCRAFTYCW-PLNGDYQASA-N 323.462 1.436 10 10 DDCE Cc1cc(O)c(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c(Cl)c1 840952520 CRTGNSBPZCYEIF-JSGCOSHPSA-N 310.781 1.443 10 10 DDCE CN(C/C=C\c1ccc(N(C)C)cc1)CC(=O)N1CCNCC1 843044031 AGELIXUOVJNTOM-PLNGDYQASA-N 316.449 1.129 10 10 DDCE CCCN(c1ccc(CN)c(F)c1)[C@H]1CCS(=O)(=O)C1 2201909548 WPIWEUMLGDRXML-ZDUSSCGKSA-N 300.399 1.688 10 10 DDCE CC(C)(C)OC(=O)N1CCC[C@H](N)[C@H]1c1cc(O)nc(O)c1 1952902441 RBASSEXVMRXFEH-GXFFZTMASA-N 309.366 1.892 10 10 DDCE COCCNC1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 846221716 CZSWMMKIGGAVTH-UHFFFAOYSA-N 324.396 1.934 10 10 DDCE Cc1cc(CCNC(=O)N(C)Cc2ccccc2O)nn1C 926369090 AKIPAWLXCWYYHA-UHFFFAOYSA-N 302.378 1.818 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 858817422 FOKULPOGKANAJJ-KMUUFKDPSA-N 320.345 1.988 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C1=NO[C@H](CN)C1 852882955 UDEFBRYJKNYSQN-AWEZNQCLSA-N 304.394 1.205 10 10 DDCE CO[C@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C1CCC1 852792674 ZGACKTKCGSMQBS-HOTGVXAUSA-N 305.422 1.684 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cncn3C)C2)cc1 855227060 VUYJADLAGQNAKI-LBPRGKRZSA-N 300.362 1.437 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCC(=O)C3)C2)cc1 855224003 JTAUYNNRRXDYIM-STQMWFEESA-N 302.374 1.759 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1 858288014 RMPPRXMEGKVQMF-YUTCNCBUSA-N 317.389 1.509 10 10 DDCE Cc1ccc(O)c([C@@H](C)NCCCN2CCCS2(=O)=O)c1 756688673 QOVKANLNWAXAHJ-CYBMUJFWSA-N 312.435 1.777 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1F 931147113 RZPUEPCCDWMZMT-KPNNVRJVSA-N 304.365 1.931 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCC[C@@H]3NCC[C@H]32)cc1 866722871 ALTZMTZKAKXYNP-DLBZAZTESA-N 316.449 1.195 10 10 DDCE COC(=O)c1cn(Cc2ccc(N3CCOCC3)cc2)c(C)n1 877877486 CUFHWASFGWCNCR-UHFFFAOYSA-N 315.373 1.863 10 10 DDCE COc1ccc(CNc2nc(N)c3cnn(C)c3n2)c(O)c1 795285657 TYIMZFHNLNLRTJ-UHFFFAOYSA-N 300.322 1.272 10 10 DDCE COc1ccc(N2CCC(NC(=O)[C@H](C)CC(N)=O)CC2)cc1 1143192001 VSCGHWVSCLLFRT-GFCCVEGCSA-N 319.405 1.292 10 10 DDCE COc1ncc(COC(=O)c2ccc(C)c(O)c2O)c(C)n1 798608140 OENJYMXGKOZLIS-UHFFFAOYSA-N 304.302 1.870 10 10 DDCE C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)c1ccccc1O 1171736619 HSTVYLSLHMAEAY-QMMMGPOBSA-N 302.290 1.769 10 10 DDCE CC(C)(C)OC(=O)N1CC(Nc2ccc(N)cc2)(C(N)=O)C1 1959369603 HBSFZOMXUJQWIU-UHFFFAOYSA-N 306.366 1.156 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cnc(OCC2CC2)cn1 1176577079 ZVRJTPUBATVSRP-UHFFFAOYSA-N 315.329 1.607 10 10 DDCE CC(=O)N1CCC[C@@H]1C(=O)Nc1c(Cl)ccc2nonc12 1336618187 KPZSEUUEHQIWSO-SNVBAGLBSA-N 308.725 1.826 10 10 DDCE OC[C@@]1(O)CCCN(Cc2ccc(Br)cc2O)C1 1261677623 XFQSDJUOSCKCBQ-CYBMUJFWSA-N 316.195 1.474 10 10 DDCE CS(=O)(=O)N1CCC[C@H](N2CCC[C@H](CN=[N+]=[N-])C2)C1 1912187411 KIMVDLZACPLESX-NEPJUHHUSA-N 301.416 1.433 10 10 DDCE CSC[C@@H]1CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1351905959 FSSZLYRXONIKAH-LBPRGKRZSA-N 320.414 1.588 10 10 DDCE CCN(C)C(=O)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1297283463 PPOSCSKGVBRFAY-SECBINFHSA-N 305.338 1.446 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnn(C)c1N 1290374077 GLAADXYBQFSVBU-UHFFFAOYSA-N 313.405 1.875 10 10 DDCE O=C(O)CN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S 3213168 MNPZQUQRMCXSTL-WTKPLQERSA-N 311.340 1.384 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(C)nc1N 1627028088 AMCSRPFYNJJQLZ-UHFFFAOYSA-N 307.350 1.489 10 10 DDCE COCC(C)(C)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1557106424 VQJLBQJOUQMBNV-UHFFFAOYSA-N 322.405 1.210 10 10 DDCE CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(O)c1O 1556191822 SBFUYUXUGYCHNC-CYBMUJFWSA-N 314.341 1.185 10 10 DDCE COC(=O)c1ccnc(C(=O)NCc2cc(O)ccc2O)c1 1558175232 JAYIGCLDHHELEK-UHFFFAOYSA-N 302.286 1.209 10 10 DDCE CC(C)CCn1cc(C(=O)NCc2ccc(O)cc2O)nn1 1638352438 NVACXRJWOCJRHR-UHFFFAOYSA-N 304.350 1.665 10 10 DDCE COC(=O)[C@H](NC(=O)c1cccc(O)c1O)C1CCCCC1 1631004545 VIVAZQUQWWDHIT-CYBMUJFWSA-N 307.346 1.950 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1ccnc(OC(F)F)c1 1640371628 ZZVIRFFXOBZBNL-UHFFFAOYSA-N 324.283 1.953 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@H](Cn3cccn3)C1)OCO2 152830740 BLAOCOMCZCYTAA-ZDUSSCGKSA-N 317.345 1.218 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2C[C@H]3CCC[C@H]3C2)cc1 157943634 ZHJNCQUKALPFKE-BETUJISGSA-N 310.419 1.709 10 10 DDCE COCCOC(=O)COC1CCN(c2ccc(N)cc2)CC1 585880699 ZKAHCNYSMNNTJT-UHFFFAOYSA-N 308.378 1.444 10 10 DDCE COc1cccc(O)c1CNCC(C)(C)CS(C)(=O)=O 922737443 LDQYWXAZLAHUQX-UHFFFAOYSA-N 301.408 1.561 10 10 DDCE C[C@H]1CN(C(=O)CNCc2ccc(N(C)C)cc2)C[C@H](C)O1 1857865636 WUWGVJHEFUOAGQ-KBPBESRZSA-N 305.422 1.478 10 10 DDCE OCCC[C@@H](CO)NCc1cc(Br)ccc1O 1942761050 CIFUBYDFTXHBKA-NSHDSACASA-N 304.184 1.378 10 10 DDCE NCc1ccc(N2C[C@H](O)C(F)(F)C2)c(Br)c1 1946669109 WDAPYWSJGYGKHL-JTQLQIEISA-N 307.138 1.724 10 10 DDCE O=S1(=O)CC[C@H]2CN(c3c(F)cc(CO)cc3F)C[C@@H]21 2145049331 LZEINFYTDGANFY-CABZTGNLSA-N 303.330 1.080 10 10 DDCE Cn1nc(C(=O)NCCN=[N+]=[N-])c(Br)c1Cl 1979590360 YMOGUUBJFCKCKM-UHFFFAOYSA-N 307.539 1.876 10 10 DDCE CSC[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 706624425 ZOPVUYJRHVHSFU-GFCCVEGCSA-N 300.449 1.784 10 10 DDCE O=C1NCC[C@@H]1NCc1cc(Br)cc(F)c1O 715818753 RBXJNBXCZCPFCN-VIFPVBQESA-N 303.131 1.272 10 10 DDCE CCOC(=O)c1c(C(C)C)nn2c(O)cc(CC(=O)O)nc12 2080934329 KGZREWIEMPDFPQ-UHFFFAOYSA-N 307.306 1.362 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(Br)c1 2043184272 JNXYGCFVNVFOAP-IEBDPFPHSA-N 316.195 1.434 10 10 DDCE Oc1c(Br)cccc1CNC1CN(C2COC2)C1 2051497495 OXVUVSHYFLOUJI-UHFFFAOYSA-N 313.195 1.327 10 10 DDCE NCc1ccc(N2C[C@@H](O)C[C@H](F)C2)cc1Br 2213893267 FYUNIBKOWDWFLZ-ONGXEEELSA-N 303.175 1.817 10 10 DDCE CSc1ncc(CNC(=O)N[C@]2(C(=O)O)C[C@@H]2C)s1 2269102649 XMQOKQKKXYPVOH-UPONEAKYSA-N 301.393 1.527 10 10 DDCE Cc1ccc(CN[C@@H]2COC[C@@H]2N)c(O)c1Br 2307480287 RHGPOJZNOMERNK-VHSXEESVSA-N 301.184 1.279 10 10 DDCE Cc1ccc(CN[C@H](CO)[C@@H](C)O)c(O)c1Br 2307475706 SXCFQTBQYAAMHA-PSASIEDQSA-N 304.184 1.294 10 10 DDCE Cc1ccc(CN=c2cc(N)cn[nH]2)c(O)c1Br 2327797576 YVSWQPLPSHVZKI-UHFFFAOYSA-N 309.167 1.869 10 10 DDCE C[C@H](NC=C1C(=O)NC(=S)NC1=O)c1ccc(F)cc1F 60865408 SMBWHUVLFUEWCP-LURJTMIESA-N 311.313 1.030 10 10 DDCE CNS(=O)(=O)Nc1ccccc1C(=O)c1ccc(OC)cc1 62274386 YKKLZKOANIQYGA-UHFFFAOYSA-N 320.370 1.802 10 10 DDCE O=C1CCN[C@@H]1c1cc(I)ccc1O 1951856541 QGOGSRQAHQRFCY-SNVBAGLBSA-N 303.099 1.600 10 10 DDCE CCOc1cccc(CN2CCO[C@@H](c3nc(C)n[nH]3)C2)c1O 180109924 DRRNKILVJDPSHD-CQSZACIVSA-N 318.377 1.791 10 10 DDCE O=C(N[C@@H]1CC[C@H](C(F)(F)F)NC1)c1cccc(O)c1O 126118062 RDBSODRPXFHQEC-GMSGAONNSA-N 304.268 1.511 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)c1ccc(N)nc1 70302795 PBMZFWVUSQHMDC-SNVBAGLBSA-N 307.375 1.751 10 10 DDCE Cc1nc(S(=O)(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])c(Cl)n1C 2364140422 JDKDNARVSJDCOW-JGVFFNPUSA-N 318.790 1.892 10 10 DDCE CCOC1(CO)CN(c2c(Cl)cc(OC)cc2OC)C1 2368118735 XBZGBAJHZAWZGW-UHFFFAOYSA-N 301.770 1.945 10 10 DDCE NC1CCN(c2ccc(O[C@H]3CCS(=O)(=O)C3)cc2)CC1 43470934 ZOYJQIZASUFMQN-HNNXBMFYSA-N 310.419 1.180 10 10 DDCE NC[C@@H](N)c1c(O)cc(Br)cc1Br 95715832 LLOSCTMFDFWRRM-ZCFIWIBFSA-N 309.989 1.876 10 10 DDCE O=C(C[C@H](O)Cc1ccccc1)NCCc1ccc(O)c(O)c1 813489195 RPSRNUAYVKCADS-OAHLLOKOSA-N 315.369 1.750 10 10 DDCE Oc1cc2c(cc1CN1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1)OCO2 824653482 BSCXMPSHNNEIHR-MRVWCRGKSA-N 321.373 1.483 10 10 DDCE CN(C)c1ncc(NC(=O)/C=C\c2ccc(O)c(O)c2)cn1 588404815 IOCUKMGQPSHNBO-XQRVVYSFSA-N 300.318 1.606 10 10 DDCE C[C@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CN2CCC1CC2 912375353 FWBXCFGMDFDLLZ-IVZVJUQRSA-N 302.374 1.712 10 10 DDCE COC(=O)[C@@H]1CSCCN(Cc2cccc(OC)c2O)C1 840976516 FZOLHBYDCXURQW-LBPRGKRZSA-N 311.403 1.739 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@@H](N)[C@@H](O)C(=O)O 1952932093 SNLJAPHVACKVGC-GHMZBOCLSA-N 312.322 1.185 10 10 DDCE CN(Cc1ccccc1O)C(=O)NCc1noc2c1COCC2 927878588 KBTLZKAFNIHRFO-UHFFFAOYSA-N 317.345 1.795 10 10 DDCE CCOc1cccc(CNC[C@@]2(OCCO)CCOC2)c1O 850358464 PJDLITMLSMDAFO-INIZCTEOSA-N 311.378 1.049 10 10 DDCE CO[C@@]1(CNC(=O)N2Cc3cccc(O)c3C2)CCSC1 925381894 HNEVCGVBXXIGMD-OAHLLOKOSA-N 308.403 1.940 10 10 DDCE CC(C)CS(=O)(=O)CC(=O)NCc1c(O)cccc1F 928712852 ZMUKUDLJXJIMLN-UHFFFAOYSA-N 303.355 1.218 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)c1cn2c(n1)COCC2 859421031 IOBHFFCJUAKNON-UHFFFAOYSA-N 314.389 1.718 10 10 DDCE C[C@H]1CCn2cc(C(=O)NCCc3ccc(O)c(O)c3)nc2C1 866757366 RMLBMTYUUCQXGW-NSHDSACASA-N 315.373 1.849 10 10 DDCE COC[C@](C)(NCc1ccc(N2CCOCC2)cc1)C(=O)OC 930155292 NDCDSDYALPDKFT-KRWDZBQOSA-N 322.405 1.191 10 10 DDCE NC(=O)C1(NCc2ccc(N3CCOCC3)cc2)CCCCC1 930020012 ZMHHWCZEWCZFBE-UHFFFAOYSA-N 317.433 1.801 10 10 DDCE O=C1CC[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)O1 866897925 MDAUQEPPYFJIFR-UKRRQHHQSA-N 319.357 1.605 10 10 DDCE CN(C)c1cnc(C(=O)Nc2c(Cl)ccc3nonc23)cn1 1128604278 TXKSADXQXZOMRF-UHFFFAOYSA-N 318.724 1.985 10 10 DDCE CO[C@](C)(CO)CNC(=O)c1cc2cc(O)c(O)cc2s1 898437468 WJOFWCVLHQIMCB-AWEZNQCLSA-N 311.359 1.440 10 10 DDCE C[C@H](C(N)=O)N(C)c1ccc(CN)c(Br)c1F 711166445 CYAPWVIXMRTCCE-ZCFIWIBFSA-N 304.163 1.357 10 10 DDCE O=C([C@H]1C[C@@H]2CC[C@H](C1)S2(=O)=O)N1Cc2cccc(O)c2C1 1302786239 GCZRIHBJFNTCNP-XYYAHUGASA-N 321.398 1.590 10 10 DDCE Cc1cc(C(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)c(C)n1-c1ccccn1 1303827603 HJNOEVWTDIPSGX-YOWGUQMCSA-N 315.373 1.103 10 10 DDCE CC(=O)NCC[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1160628506 PHZBYUXXVXPKLF-ZDUSSCGKSA-N 320.389 1.405 10 10 DDCE C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CC(=O)N1C 1321204506 MKERYFFTBUWHDX-ZDUSSCGKSA-N 321.396 1.325 10 10 DDCE C[C@@H](N)c1ccc(N2CCNC(=O)C23CC3)cc1Br 2132030586 XZCPNMHPMQZQMH-SECBINFHSA-N 324.222 1.938 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cc2c(nc1O)CCOC2 1445898896 CFCKFDHQUROZTO-UHFFFAOYSA-N 316.313 1.201 10 10 DDCE O=C(O)Cc1cc(=O)oc2c(CN3CCCC3)c(O)ccc12 211633049 QGVACYWCKACZIK-UHFFFAOYSA-N 303.314 1.722 10 10 DDCE O=C(CCNC(=O)c1cccs1)NCc1cccc(O)c1O 1558159613 IYVNAKAXVTYPQG-UHFFFAOYSA-N 320.370 1.596 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC(=O)c1cc(F)cc(F)c1 1558520797 ORUJNUAAAOOLIO-UHFFFAOYSA-N 321.279 1.918 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cnc(-c2ccccn2)nc1 1558175631 YLHGAJFEODGNGK-UHFFFAOYSA-N 322.324 1.880 10 10 DDCE CN(CC(=O)NCc1c(O)ccc2ccccc12)S(C)(=O)=O 1558554280 OIFJBVITCHMWQS-UHFFFAOYSA-N 322.386 1.053 10 10 DDCE CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)C[C@]2(CCOC2)O1 1634917763 PKXHDFKNIPATHD-KRWDZBQOSA-N 321.373 1.437 10 10 DDCE Cc1cc([N+](=O)[O-])cc(C(=O)NCc2c(O)cccc2O)n1 1647289368 AQXRJHWUSJTXBN-UHFFFAOYSA-N 303.274 1.639 10 10 DDCE [N-]=[N+]=NCCN[C@H](C(=O)O)c1cncc(Br)c1 166214119 FPGOQOFKKNXFPN-QMMMGPOBSA-N 300.116 1.870 10 10 DDCE CCOC(=O)[C@H]1CCCN(C(=O)COc2ccc(N)cc2)C1 385746850 FCQZKYQJFLYJSN-LBPRGKRZSA-N 306.362 1.449 10 10 DDCE NC(=O)C1(CNCc2cc(Br)cc(F)c2O)CC1 1972477951 FKMRPMAFSPSVOY-UHFFFAOYSA-N 317.158 1.649 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCC[C@H]3CC(C)(C)CO3)c2n1 2063216042 ZGDGQTZKJHAHFE-NSHDSACASA-N 318.377 1.678 10 10 DDCE C[C@H](O)c1ccc(N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(F)c1 2170330514 QBZGBLBKUJGVAP-DCAQKATOSA-N 301.383 1.891 10 10 DDCE C[C@@H](N)c1cc(F)c(N2CCS(=O)(=O)[C@H](C)C2)c(F)c1 2194695073 QUUCQOZEIPIUHH-RKDXNWHRSA-N 304.362 1.608 10 10 DDCE NCc1ccc(N2CC[C@H](OCCO)C2)c(Br)c1 2046758393 BJZFAAJHZZLYNS-NSHDSACASA-N 315.211 1.495 10 10 DDCE NCCO[C@H]1CCN(Cc2c(O)cccc2Br)C1 2049875773 JJJGXYZMNNPDON-JTQLQIEISA-N 315.211 1.704 10 10 DDCE CN(C)CC1(NCc2c(O)cccc2Br)COC1 2056767556 PNBZOVRIFCINNN-UHFFFAOYSA-N 315.211 1.575 10 10 DDCE OC[C@@H](O)C1(NCc2cc(Br)cc(F)c2O)CC1 2069746349 GVCCFLGXKVCUDN-SNVBAGLBSA-N 320.158 1.269 10 10 DDCE CC1(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)OCCO1 2089568093 RMTLRLXREONZEE-UHFFFAOYSA-N 304.390 1.813 10 10 DDCE COc1ccc(O)c([C@@H](C)NCCS(=O)(=O)C(F)F)c1 2232497870 AQWFJPFUKOFWDV-MRVPVSSYSA-N 309.334 1.689 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CC(F)(F)CCN2)s1 2269093419 CMKDTEFAGZLMLS-MRVPVSSYSA-N 307.391 1.869 10 10 DDCE CSc1ncc(CNC(=O)COCC2CCNCC2)s1 2284496692 DBOYSIJZEZEYBE-UHFFFAOYSA-N 315.464 1.497 10 10 DDCE Cc1ccc(CNC[C@@H](O)CN(C)C)c(O)c1Br 2327613758 XXCKKTPVTGHTMD-LLVKDONJSA-N 317.227 1.475 10 10 DDCE CN(C)c1ccc([C@H](C(=O)N2CCCC2)N2CCNCC2)cc1 107901383 BYCUUPARIJVUQT-QGZVFWFLSA-N 316.449 1.321 10 10 DDCE Nc1cc(Cl)c(N2C(=O)[C@@H]3COC[C@@H]3C2=O)c(Cl)c1 2340240638 DFMROMIWIRFXFH-KNVOCYPGSA-N 301.129 1.711 10 10 DDCE Cc1nnc(NC(=O)c2ccn(-c3ccc(N)cc3)n2)s1 123462826 DBNGASCSYAQNCK-UHFFFAOYSA-N 300.347 1.867 10 10 DDCE C/C=C/C[C@@H](C)[C@@H](O)[C@@H](C(=O)C(=O)[C@@H](NC)C(C)C)N(C)C 77286307 NEIFYFOCFQBPTE-BUWSWMSDSA-N 312.454 1.262 10 10 DDCE in-vitro Cc1cccc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1O 180755414 APAYBHAYXKUISV-OAHLLOKOSA-N 324.446 1.701 10 10 DDCE COC(=O)[C@H]1C[C@H](OC)CN1Cc1c(O)ccc(Cl)c1F 191358073 JEZVMCFXCJQYQV-GZMMTYOYSA-N 317.744 1.947 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC(O)(C3CC3)C2)c([N+](=O)[O-])c1 364137426 IBVLFVZPPIDNQF-XVNBXDOJSA-N 318.329 1.742 10 10 DDCE COc1ccc(CNC(=O)[C@@H]2CCCc3n[nH]cc32)c(O)c1 373696119 NLBBPGLSCSWWFC-GFCCVEGCSA-N 301.346 1.860 10 10 DDCE COC[C@@](C)(O)C(=O)NCc1cc(Br)ccc1O 804739836 VLSIZOIEVNSJOE-GFCCVEGCSA-N 318.167 1.168 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1cc2c(nc1O)CCOC2 901054522 DDOQTHFHJVVZLN-UHFFFAOYSA-N 314.341 1.838 10 10 DDCE CN(C)C[C@@]1(O)CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 834564326 JFZGSTIKGOQARA-WVRJYTFGSA-N 320.389 1.026 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@H]1COCC1(C)C 832164956 FXEJJZQRCKMEQU-INIZCTEOSA-N 319.449 1.726 10 10 DDCE CCOc1ccc(CN[C@H]2CC[C@@H](C)S(=O)(=O)C2)c(O)c1 850369308 UQEBIHNDYDMHKR-YPMHNXCESA-N 313.419 1.846 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N(C)C[C@@H](C)OC)C2)cc1 852448972 OVPUPJNHJOZRMX-KGLIPLIRSA-N 321.421 1.950 10 10 DDCE CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H](C)O 854297797 RFZHYHZRWKNGPG-ZENOOKHLSA-N 321.421 1.733 10 10 DDCE COC[C@H](CCNC(=O)NCc1cc(Cl)ccc1O)OC 852447805 HVAGFLBSNVRBMN-LBPRGKRZSA-N 316.785 1.896 10 10 DDCE COc1ccc(N2CCC(NC[C@@H]3COCCN3C)CC2)cc1 858277258 CQRGHELYXJSNFH-QGZVFWFLSA-N 319.449 1.584 10 10 DDCE Cc1noc([C@@H]2OCC[C@@H]2NCc2cc([N+](=O)[O-])ccc2O)n1 858327704 WREOTNIDQVWWHO-WCQYABFASA-N 320.305 1.612 10 10 DDCE NS(=O)(=O)CCCNCc1cc(Cl)cc(Cl)c1O 45066709 GHADULXLJRQECH-UHFFFAOYSA-N 313.206 1.467 10 10 DDCE CN(C)c1cc(F)c(CNC2CN(c3ccncn3)C2)cc1F 865746679 KMEXZUPZQWUNSF-UHFFFAOYSA-N 319.359 1.799 10 10 DDCE CN(Cc1ccccc1O)C(=O)Nc1nccc(N(C)C)n1 779346765 CCKVRIXROIUTOL-UHFFFAOYSA-N 301.350 1.912 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@]12C[C@H]1COC21CCC1 887127983 GRHLVOUUPBLHPH-CYRXJCQBSA-N 301.342 1.939 10 10 DDCE COC1=C(C(=O)O)NC(=S)N[C@@H]1c1cc(Cl)ccc1O 76260400 GZSKHHNQDBWXMG-MRVPVSSYSA-N 314.750 1.507 10 10 DDCE CC(C)(C)OC(=O)N[C@H](C1COC1)[C@H](N)c1ccccc1O 1958883402 NVCMCHFDQAELRA-ZIAGYGMSSA-N 308.378 1.932 10 10 DDCE COc1ccc(CNC(=O)c2cc(-n3ccnc3)ccn2)c(O)c1 794376404 FBRLGWYLSWAYKS-UHFFFAOYSA-N 324.340 1.912 10 10 DDCE NC(=O)[C@H]1CCCN(c2ccc(CNCC3(F)CC3)cc2)C1 793044904 VSHMKGYEZPILLR-AWEZNQCLSA-N 305.397 1.980 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C(N)=O)n1 1140198750 QSQBCNNKZJSAPC-UHFFFAOYSA-N 320.345 1.302 10 10 DDCE Cn1c(=O)oc2c(NC(=O)Cc3ccc(O)c(O)c3)cccc21 1150987361 ACLISNWMJSXWHZ-UHFFFAOYSA-N 314.297 1.724 10 10 DDCE CCN(CC(=O)NC)c1ccc(CNC)c(C(F)(F)F)c1 167369726 CPDHBHDQNIUHSV-UHFFFAOYSA-N 303.328 1.997 10 10 DDCE [N-]=[N+]=NC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2F)C1 1912208041 OVKBGUNUUGSVPT-UHFFFAOYSA-N 301.259 1.417 10 10 DDCE COc1cc(N2C[C@H]3CCN(C)C[C@H]3C2)c([N+](=O)[O-])cc1OC 1458471097 XQMGOPONTWVRRZ-NEPJUHHUSA-N 321.377 2.000 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(Br)c1 2136599254 BVWLEIJKGNDZBJ-UFAOYGAJSA-N 324.222 1.636 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H]3[C@H](C(N)=O)[C@@H]3C2)cc1Br 2136609022 YEWMHCGWGXUXEJ-DRYIUFOISA-N 324.222 1.636 10 10 DDCE O=C(Cc1c(O)ncnc1O)NCc1cc(Cl)ccc1O 1632227981 JHKNHJAFJJKHCA-UHFFFAOYSA-N 309.709 1.106 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)c1ccc2nnnn2c1 1632222984 BGCPPUUDGOMTNM-UHFFFAOYSA-N 303.709 1.413 10 10 DDCE CC(=O)NN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S 5726198 KVSPVEOCHOAJTL-WMZJFQQLSA-N 310.356 1.350 10 10 DDCE COc1ccc(N2CCCN(C(=O)[C@H]3CCCNC3)CC2)cc1 165749480 ZBKNXZLANYWSDV-HNNXBMFYSA-N 317.433 1.734 10 10 DDCE CCOc1cccc(CNCCC(=O)N2CCOCC2)c1O 236924752 ZUAXNYOSERBZNU-UHFFFAOYSA-N 308.378 1.129 10 10 DDCE COc1ccc(N2CCN(C(=O)c3nonc3OC)CC2)cc1 1872683995 MDYWQAMLEDYMSP-UHFFFAOYSA-N 318.333 1.049 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCCN1Cc1cccc(F)c1O 824913752 DOWUGFKAVXKWIH-LBPRGKRZSA-N 301.383 1.930 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(CCCN=[N+]=[N-])C1 1962288537 XXTXYXIBDSOHOK-CYBMUJFWSA-N 313.358 1.741 10 10 DDCE COc1cc(N2CCC[C@H]2C2OCCO2)c([N+](=O)[O-])cc1OC 2144187755 VOVPOXHSYWRXDG-JTQLQIEISA-N 324.333 1.954 10 10 DDCE CC[C@H](C)S(=O)(=O)Nc1ccc(NS(=O)(=O)CC)cc1 2144155411 JXKJTFAZYKDRNJ-JTQLQIEISA-N 320.436 1.988 10 10 DDCE CN1CC[C@@H](CNCc2c(O)cccc2Br)C1=O 1965960728 DANRQRYYQPJTNL-VIFPVBQESA-N 313.195 1.723 10 10 DDCE NC(=O)NCCCNCc1cccc(Br)c1O 2002535877 CSZBYHDTZFAAFY-UHFFFAOYSA-N 302.172 1.303 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)CCc1ccc(N)cc1 1977673388 ZNDWGKCGPJKWNR-KGLIPLIRSA-N 319.405 1.983 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(O)c(O)c2)CO1 1982311013 FBACMEGDBJENEG-JTQLQIEISA-N 324.333 1.379 10 10 DDCE CC(C)(C)OC(=O)NCc1ocnc1C(=O)N1CC(N=[N+]=[N-])C1 1985093602 BRSRNTVVPHLDAP-UHFFFAOYSA-N 322.325 1.834 10 10 DDCE CC1([C@H]2CN(C(=O)C=Cc3ccc(O)c(O)c3)CCO2)N=N1 2059161597 WUFMIOGYFRKTFK-CYBMUJFWSA-N 303.318 1.520 10 10 DDCE C[C@H]1CS(=O)(=O)CCN1c1c(F)cc([C@@H](C)O)cc1F 2194513375 UGPWQCRDHBPJSW-DTWKUNHWSA-N 305.346 1.641 10 10 DDCE CCOC1(CO)CN(c2ccc(CO)cc2Br)C1 2052838091 JJOJOEBIXNYRJO-UHFFFAOYSA-N 316.195 1.529 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1ccc(CO)o1 2101587442 XSMKSGXPJPYCQF-UHFFFAOYSA-N 303.723 1.932 10 10 DDCE CSc1ncc(CNC(=O)NOC(C)(C)C(=O)O)s1 2269134019 MVONHZLPXBGPLR-UHFFFAOYSA-N 305.381 1.459 10 10 DDCE CSc1ncc(CN[C@H](C)[C@H]2CN(C)CCN2C)s1 2208571470 CJHAFFVWGIREJC-ZYHUDNBSSA-N 300.497 1.589 10 10 DDCE CN(C[C@@]1(F)CCOC1)S(=O)(=O)Cc1ccc(N)cc1 2238270023 NCAZRHXJRBLTQJ-ZDUSSCGKSA-N 302.371 1.159 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](C)COCC(=O)O)s1 2284506149 BZSODNVCRPQOJW-SSDOTTSWSA-N 319.408 1.154 10 10 DDCE COC(=O)[C@@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc21 492034330 RNKZTSXIWZGJLZ-PSKZRQQASA-N 309.325 1.793 10 10 DDCE Cc1ccc(CN[C@H](C)[C@@H](O)CO)c(O)c1Br 2307479695 LECUPACCHSZZBG-SCZZXKLOSA-N 304.184 1.294 10 10 DDCE Clc1nc(Sc2nccs2)nc(N2CCOCC2)n1 61544209 OYHJHBDCFIMRNJ-UHFFFAOYSA-N 315.811 1.969 10 10 DDCE COCCCS(=O)(=O)N1CCOc2cc(N(C)C)ccc21 174064537 JIIHCSYVXOKVAR-UHFFFAOYSA-N 314.407 1.318 10 10 DDCE CC[C@H]1CN(Cc2cccc(OC)c2O)CCN1CCOC 120954012 RPCOYDNXYPAPSW-HNNXBMFYSA-N 308.422 1.943 10 10 DDCE CO[C@@H](CCS(C)(=O)=O)CN[C@@H](C)c1ccccc1O 2364088323 YCSKECOCRXYZMR-RYUDHWBXSA-N 301.408 1.493 10 10 DDCE COc1cc(Cl)c(N2CC[C@H](O)[C@H](O)CC2)c(OC)c1 2368103015 JVJXQZDZVJWKRM-TXEJJXNPSA-N 301.770 1.679 10 10 DDCE CN[C@H](CO)c1cc(C)cc(I)c1O 238359393 AOBCTBXPOPQCQO-SECBINFHSA-N 307.131 1.558 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1C[C@H]1C(=O)OC 263870240 IAFVTZRPDBWNKL-LSDHHAIUSA-N 304.390 1.910 10 10 DDCE CC(=O)C(=O)COC(=O)c1nn(-c2ccccc2)c2c1CCC2 808500347 YNRWPHDPEVLGLX-UHFFFAOYSA-N 312.325 1.676 10 10 DDCE CC(=O)C(=O)COC(=O)c1nnn(-c2cccc(C)c2)c1C 808507413 LMPSRNRVPCNZLQ-UHFFFAOYSA-N 301.302 1.199 10 10 DDCE CC(C)COc1ccccc1NC[C@H](O)CN1CCN(C)CC1 819417334 XVOHQOOBHXQAMH-INIZCTEOSA-N 321.465 1.742 10 10 DDCE CO[C@H](CS(=O)(=O)NCc1ccc(N(C)C)cc1)C1CC1 826923579 SJCTUQJUDOLUCV-OAHLLOKOSA-N 312.435 1.597 10 10 DDCE COc1cccc(CNC(=O)c2cn(CC3CC3)nn2)c1O 825703576 YTQYDELSKBFKMH-UHFFFAOYSA-N 302.334 1.332 10 10 DDCE Cc1ccc(CN(C)Cc2cc(O)n3ncc(C(=O)O)c3n2)o1 846230441 RYVVNFJLZGJGCF-UHFFFAOYSA-N 316.317 1.667 10 10 DDCE C[C@H]1C(=O)N(CCN(C)C)CN1Cc1ccc(N(C)C)c(F)c1 843428595 KUSUZIHCDITVBL-ZDUSSCGKSA-N 322.428 1.444 10 10 DDCE Cc1ccc(O)c(CN2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 843426368 UZNAEUBNEVXDTA-OAHLLOKOSA-N 311.403 1.090 10 10 DDCE C[C@@H](NC(=O)N1CCn2nncc2C1)c1ccc(N(C)C)cc1 847357159 WDXQHIMIEBJBAI-GFCCVEGCSA-N 314.393 1.631 10 10 DDCE CCO[C@@H](C(=O)NCc1c(O)cccc1F)C1CCOCC1 928710845 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CN[C@@H](C)c1ccc(N(C)[C@@H](C)CS(C)(=O)=O)cc1O 688547145 VOPINUBHTQQHGB-QWRGUYRKSA-N 300.424 1.542 10 10 DDCE CC(C)OC(=O)CC[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1156605211 SBYHIFHRBQACHK-NSHDSACASA-N 309.362 1.877 10 10 DDCE CN(CCc1ccncc1)C(=O)CCN1C(=O)CSC1=S 1865765608 FUSLLOLUWMCUJA-UHFFFAOYSA-N 323.443 1.333 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1nnc(-c2ccco2)o1 1469160983 GHSPIJHEAHSAJN-UHFFFAOYSA-N 301.258 1.671 10 10 DDCE COc1cc(CNC[C@H]2CCCO2)ccc1N1CCOCC1 212685624 VVAQSCDXCDLGAJ-OAHLLOKOSA-N 306.406 1.800 10 10 DDCE COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1c(O)cccc1O 1472063422 KQMCGNVJDIWQTG-WDEREUQCSA-N 307.346 1.693 10 10 DDCE O=C(Cn1ncc2cccnc21)NCCc1ccc(O)c(O)c1 1545669071 JDZPGUPVOWZYGH-UHFFFAOYSA-N 312.329 1.201 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](CNCCF)C2)cc1 1713365462 JNTGUTJAKPUOCK-NSHDSACASA-N 321.356 1.870 10 10 DDCE COc1cccc(OC)c1CC(=O)NCc1ccc(O)cc1O 1557084782 OJWNZTXYYPSEHF-UHFFFAOYSA-N 317.341 1.974 10 10 DDCE C[C@@H](Cc1cnn(C)c1)NC(=O)c1ccc(N=NC(N)=O)cc1 1635637778 PSTFJUKPUDJPQJ-JTQLQIEISA-N 314.349 1.944 10 10 DDCE O=C(N[C@@H]1CCCC(F)(F)[C@H]1O)c1c(F)ccc(O)c1O 1641641692 PPRJQECMCSDEQC-HQJQHLMTSA-N 305.252 1.515 10 10 DDCE COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)C(C)C)c1O 155391118 USGIZGVJGVTNGJ-CYBMUJFWSA-N 320.389 1.664 10 10 DDCE Cc1nnc(NC(=O)CNCc2ccc(N(C)C)cc2)s1 1857875490 DNDOVTSIDGLKIP-UHFFFAOYSA-N 305.407 1.641 10 10 DDCE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NCCN=[N+]=[N-])C1 1963816187 FCMBDFJXALKAGJ-VIFPVBQESA-N 301.322 1.618 10 10 DDCE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O 1985021273 YFMIZZMDXUSVIS-GXFFZTMASA-N 324.377 1.283 10 10 DDCE C[C@H](CO)S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 1996139507 OHQIRHHEQQLUIO-RXMQYKEDSA-N 300.163 1.822 10 10 DDCE CCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H](N=[N+]=[N-])CC1 2155562413 FXTLALQTBFQPIV-GRYCIOLGSA-N 302.400 1.353 10 10 DDCE CN(C)[C@H]1CN(c2ccc(CO)c(Br)c2)C[C@H]1O 2029434144 JJHJLUXCECAOJA-QWHCGFSZSA-N 315.211 1.053 10 10 DDCE COCCOC1CN(c2ccc(CO)c(Br)c2)C1 687931408 GJGQBJTZNCHGRK-UHFFFAOYSA-N 316.195 1.793 10 10 DDCE O=C1Nc2cc(N3C[C@@H](CO)[C@@H](F)C3)c(Cl)cc2[C@H]1O 2177140057 QHNPJRUYILMVQT-ZKQGETEISA-N 300.717 1.092 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC3C[C@@H]4CC[C@H](C3)N4C)c2n1 2063756857 VEQKVZSMYPDAHU-YOGCLGLASA-N 315.377 1.098 10 10 DDCE CCOC(=O)c1c(C(C)C)nn2c(O)cc(CC(=O)OC)nc12 2080934638 SERKWLIFSRNFLN-UHFFFAOYSA-N 321.333 1.451 10 10 DDCE OC[C@H]1COCC[C@@H]1NCc1ccc(Br)cc1O 2072981539 RLKLKRUVNKOTKR-JQWIXIFHSA-N 316.195 1.642 10 10 DDCE CNCc1ccc(N2CC(=O)N[C@H]3CC[C@H]32)c(Br)c1 2112063849 ZBJNTYAFLWWWFD-WCQYABFASA-N 324.222 1.636 10 10 DDCE C[C@H](c1ccc(Cl)cc1O)N(C)CCS(=O)(=O)N(C)C 2203342569 WHWNOPOYRMANEU-SNVBAGLBSA-N 320.842 1.930 10 10 DDCE CP(C)(=O)C1(CNS(=O)(=O)Cc2ccc(N)cc2)CC1 2204522756 WTWHOZJSZKOOBM-UHFFFAOYSA-N 316.363 1.844 10 10 DDCE Cc1cc([C@@H](C)O)ccc1N1CC(S(=O)(=O)C(F)F)C1 2240840144 OJNKMLWCTNUKNG-SECBINFHSA-N 305.346 1.874 10 10 DDCE CNCC[C@H](C)NCc1cc(Br)c(O)cc1O 2248029390 YWYPSPSOPBQCJA-QMMMGPOBSA-N 303.200 1.948 10 10 DDCE N=C1Nc2nc3ccccc3n2[C@@H](c2cc(O)cc(O)c2O)N1 2295300324 VPWVSMJEDDNACE-ZDUSSCGKSA-N 311.301 1.650 10 10 DDCE Cc1ccc(CN(C)C[C@H](O)CO)c(O)c1Br 2307467276 WRFWOMUCZIDPJN-JTQLQIEISA-N 304.184 1.248 10 10 DDCE Cc1ccc(CNC(=O)[C@@H](N)C2CC2)c(O)c1Br 2327597362 VRTBVYSPKWNSNT-NSHDSACASA-N 313.195 1.817 10 10 DDCE C[C@@H](Nc1ccc(S(N)(=O)=O)cc1)c1ccc(O)cc1O 20021283 FOVYCQICAQBPRP-SECBINFHSA-N 308.359 1.918 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C[C@H]1N 1952194621 AMDNNWMTYONHRM-QJPTWQEYSA-N 308.378 1.881 10 10 DDCE CO[C@H](CCS(C)(=O)=O)CNCc1cccc(F)c1O 2364219174 IMQPGKKKTYDMPO-LLVKDONJSA-N 305.371 1.071 10 10 DDCE Cc1ccc(O)c([C@H](C)NCCCS(=O)(=O)N(C)C)c1 2367624378 XAVUOSJBBLFSHO-LBPRGKRZSA-N 300.424 1.633 10 10 DDCE O=C(O)CS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 232389557 IVOCLUIZHLKYRW-UHFFFAOYSA-N 300.119 1.525 10 10 DDCE CCOC(=O)c1cc(O)c(O)c(I)c1 238259365 AKLHWICOHGUVES-UHFFFAOYSA-N 308.071 1.879 10 10 DDCE CCOC(=O)N1CCC(NC(=O)c2ccc(O)c(O)c2)CC1 243120618 JHIZTDZDGNMBRH-UHFFFAOYSA-N 308.334 1.449 10 10 DDCE Cc1c(N=NN2CCOCC2)c(=O)n(-c2ccccc2)n1C 254713474 DBGXBPFXAYGGNE-UHFFFAOYSA-N 301.350 1.815 10 10 DDCE CCN1C(=O)[C@@H]2CN(Cc3cc(C)ccc3O)CCN2C1=O 362007653 BEJOXBMOWWBCAR-ZDUSSCGKSA-N 303.362 1.169 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C 808540363 BPKVRPHGVSTROJ-IUCAKERBSA-N 301.339 1.237 10 10 DDCE CC(=O)C(=O)COC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F 808537133 UEMWFKCMPRPMQJ-UHFFFAOYSA-N 319.191 1.929 10 10 DDCE CN(c1ccc(N)cc1)S(=O)(=O)c1ccc(C(=O)O)s1 2162601383 WFUDSPHOCSKFNF-UHFFFAOYSA-N 312.372 1.854 10 10 DDCE CCOC(=O)[C@H]1C[C@@]1(N)c1ccc(Br)cc1O 1952756644 GRHZELZURZBYCO-BXKDBHETSA-N 300.152 1.892 10 10 DDCE CCN1C[C@@H](CN(C)c2ccc(OCC(=O)OC)cc2)OC1=O 846853143 RGGXBRHRXBZVPT-CQSZACIVSA-N 322.361 1.515 10 10 DDCE CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCc1c(O)cccc1F 928705091 DRGCHCKLNVUDDM-ZANVPECISA-N 312.341 1.918 10 10 DDCE CN(C)CCn1cc(C(=O)NCc2c(O)cccc2F)cn1 928706216 OWMUQXBITPAYAJ-UHFFFAOYSA-N 306.341 1.219 10 10 DDCE Cc1cc(CC(=O)NS(C)(=O)=O)c(C)n1-c1ccccc1 853096260 UYDDJJRDVPJSPM-UHFFFAOYSA-N 306.387 1.712 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@H]3[C@H](C)N)C2)cc1 854217433 NLSBSHAKBYXJLD-DFEHZGFQSA-N 319.449 1.616 10 10 DDCE Cc1cc(C(=O)N2CC(O)(CO)C2)c(C)n1-c1ccc(F)cc1 854672605 FYTTXBSAOMIODJ-UHFFFAOYSA-N 318.348 1.412 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCC(=O)N3)C2)cc1 855231631 XHVDDHVJCHOTGZ-OLZOCXBDSA-N 317.389 1.059 10 10 DDCE COC(=O)C1=CC[C@H](NCc2cc(OC)c(OC)cc2O)C1 862466184 OMOGRIDAHCSBAM-LBPRGKRZSA-N 307.346 1.761 10 10 DDCE C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CN1 861568655 XOMRZTWDVIBBPV-YPMHNXCESA-N 308.401 1.831 10 10 DDCE C[C@@H]1C[C@]2(CC[C@H](CNCc3cc4c(cc3O)OCO4)O2)CO1 886334292 UTEKZEBKATZBRC-CJBNDPTMSA-N 321.373 1.937 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cnn3c2NC[C@H](C)C3)c1 1123840708 WFZSUTTYMICVOB-NSHDSACASA-N 300.362 1.889 10 10 DDCE CN(C(=O)/C=C/c1cn(C)cn1)c1ccccc1S(C)(=O)=O 1126636715 ZDNSYOGNUPTCJO-CMDGGOBGSA-N 319.386 1.500 10 10 DDCE O=C(N[C@@H]1COCC[C@H]1O)c1cc2cc(O)c(O)cc2s1 899173977 ROJITYSRIYLODW-RKDXNWHRSA-N 309.343 1.192 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@@H](CCC(N)=O)C(=O)O)cc1 1333185464 KSJJORDOIZSNNV-NQHOJNORSA-N 305.378 1.074 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN1CCN[C@H]2COC[C@@H]21 2132566225 GDSFXNBLTUWQOJ-RYUDHWBXSA-N 303.189 1.872 10 10 DDCE CCOCC(=O)N[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1266666272 XMGQKJCZTSPQAD-GASCZTMLSA-N 306.406 1.777 10 10 DDCE COc1cccc([C@@H](O)C(=O)NCc2ccc(O)cc2O)c1 1299572940 HFYWYDFYLMIDPO-OAHLLOKOSA-N 303.314 1.456 10 10 DDCE Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cc(O)ccc1O 1471661558 SPGYBNSVECMGME-UHFFFAOYSA-N 320.305 1.217 10 10 DDCE CC(=O)Nc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 1623730442 OORARDIAQWAYME-UHFFFAOYSA-N 314.341 1.915 10 10 DDCE O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1Cc2cccc(O)c2C1 1636231149 SUEQXLFCGJGSOH-UHFFFAOYSA-N 315.285 1.005 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1cn2c(n1)COCC2 1638573391 UYFBDFILJFPMKX-UHFFFAOYSA-N 324.340 1.597 10 10 DDCE C[C@H](NC(=O)N[C@H](C)c1nnnn1C1CC1)c1ccccc1O 1675398044 KLVGOJVUBSNNHD-VHSXEESVSA-N 316.365 1.835 10 10 DDCE CN1NC(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)C1=O 169996345 RXRWWTLJGIRNQH-ZETCQYMHSA-N 316.144 1.441 10 10 DDCE CCOc1cccc(CNCCC(=O)N2CCC(=O)CC2)c1O 1857864111 XNJVJNDMOUQCGK-UHFFFAOYSA-N 320.389 1.462 10 10 DDCE Cc1ccc(O)c([C@H](C)N[C@@H](C)CS(=O)(=O)N(C)C)c1 1967465115 JAOXFHRAWVUYSM-RYUDHWBXSA-N 300.424 1.631 10 10 DDCE C[C@H](CC(N)=O)N(C)c1ccc(CN)c(Br)c1F 2033931457 DODFRADRYWCKHI-SSDOTTSWSA-N 318.190 1.747 10 10 DDCE COCC1(C2CC2)CN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2063454991 ILIQTORJJQSONJ-UHFFFAOYSA-N 316.361 1.242 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCOC(C)(C)C3)c2n1 2063648298 QNLKXVLEVXADHR-JTQLQIEISA-N 304.350 1.431 10 10 DDCE CCN(C[C@H]1CCOC1)C(=O)c1cnn2c(O)cc(C)nc12 2064694050 CLJMJJHPQOZNDJ-LLVKDONJSA-N 304.350 1.242 10 10 DDCE CN(C)C[C@H]1COCCN1c1cc(Cl)c(CN)cc1F 2177380699 GRSOYCFYNJGQKK-NSHDSACASA-N 301.793 1.705 10 10 DDCE COc1ccc(N2C[C@H](F)[C@H](O)C2)c(OC)c1Br 2219381526 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310.313 1.813 10 10 DDCE CS(=O)(=O)N1CC[C@H](CNCc2cc(Cl)ccc2O)C1 119926457 HNBPEVLLJYBBDF-SNVBAGLBSA-N 318.826 1.417 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@]12C(=O)Nc1ccccc12 1637129552 JWMHPXUNZVIELW-SCLBCKFNSA-N 324.336 1.624 10 10 DDCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)C(N)=O 1638279994 MLKIAJKQSDQISI-LLVKDONJSA-N 313.357 1.510 10 10 DDCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2cnn[nH]2)c1 1587721234 KBFITRFPGHYZFT-UHFFFAOYSA-N 323.356 1.955 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(=O)n(C)c1 152978632 RTQQSEVTAZGZAR-SNVBAGLBSA-N 317.345 1.549 10 10 DDCE CN(C)c1ccc(CNCCC(=O)NCCc2cnc[nH]2)cc1 1857858742 FWJCMAHNODTEPZ-UHFFFAOYSA-N 315.421 1.314 10 10 DDCE CC(C)(C)OC(=O)N1CCN(CCCCN=[N+]=[N-])C[C@@H](O)C1 1962300013 PALBNDHQSRSSFT-GFCCVEGCSA-N 313.402 1.991 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc2nonc2c1 1179689556 SACASERORIMOFN-ZZXKWVIFSA-N 311.297 1.964 10 10 DDCE CO[C@H](CCO)CNCc1ccc(Br)cc1O 1972505340 FQHCZJVBXHOWQE-LLVKDONJSA-N 304.184 1.642 10 10 DDCE 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1.344 10 10 DDCE C[C@]1(O)CCN(c2cc(Cl)c(CN)cc2F)C[C@]1(C)O 2194603697 LPDYQDHOPFFYEE-KBPBESRZSA-N 302.777 1.650 10 10 DDCE C[C@@H](Cn1cnnc1)NCc1ccc(Br)cc1O 2066618584 PRIDYLLIPYELAQ-VIFPVBQESA-N 311.183 1.925 10 10 DDCE CC[C@@H](C)S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 2087855107 XESJFMRGCJCKMQ-SECBINFHSA-N 306.409 1.598 10 10 DDCE CC1(COc2nnc(=N)[nH]n2)CCN(C(=O)OC(C)(C)C)CC1 2210652103 REVJQBUHUDUETO-UHFFFAOYSA-N 324.385 1.095 10 10 DDCE Oc1cccc(Br)c1CN[C@@H]1CCC[C@H](O)[C@H]1O 2217647773 XPTJTRRWAJMWEV-WXHSDQCUSA-N 316.195 1.519 10 10 DDCE CSc1ncc(CNC(=O)N2CC=C[C@H](C(=O)O)C2)s1 2284508261 QCYOLRJNMXNOAX-QMMMGPOBSA-N 313.404 1.647 10 10 DDCE COc1cc(OC)c(N(C)C[C@@]2(O)CCOC2)cc1Cl 2285920664 VFUYQNUBSGIFPI-AWEZNQCLSA-N 301.770 1.945 10 10 DDCE O=C(Nc1nnc(Br)s1)c1cccc(O)c1O 1148212916 NYAVRWOLACYDHX-UHFFFAOYSA-N 316.136 1.964 10 10 DDCE Cc1ccc(CNC(=O)C2COC2)c(O)c1Br 2307463583 KUHZDTBTELSSGJ-UHFFFAOYSA-N 300.152 1.726 10 10 DDCE Cc1ccc(CNC(=O)[C@@H](C)ON)c(O)c1Br 2307452610 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DDCE CC(C)(C)OC(=O)N1C[C@H](CN)[C@H](c2cc(O)c(O)cc2O)C1 687741288 SKXVWUGJRAZFSI-GXSJLCMTSA-N 324.377 1.713 10 10 DDCE CC[C@@]1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCN1 852901021 YJPSAJWHAWFFBG-KSSFIOAISA-N 317.433 1.922 10 10 DDCE C[C@@H]1CC[C@H](NCc2ccc(N(C)C)c(F)c2)CS1(=O)=O 850369004 RBHKNKGXDLCXTK-YPMHNXCESA-N 314.426 1.947 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)CCO)C2)cc1 854300577 WCBCQLYDRIBMML-KBPBESRZSA-N 321.421 1.592 10 10 DDCE CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855232990 VLIOLCHIHSQUPC-QWHCGFSZSA-N 319.405 1.305 10 10 DDCE CC[C@@H](NC[C@@]12COCCN1C(=O)OC2)c1ccc(C)cc1O 866522246 UITBGBNVCGCDEO-PBHICJAKSA-N 320.389 1.963 10 10 DDCE CNC(=O)[C@@H](C)CN(C)C(=O)c1cc2cc(O)c(O)cc2s1 896832584 TVQBVLBYECERSI-QMMMGPOBSA-N 322.386 1.767 10 10 DDCE COC(=O)[C@@H]1C[C@@H]1CNC(=O)N[C@@H](C)c1cc(OC)ccc1O 891240910 WLUPNMWWYQXZLA-OPQQBVKSSA-N 322.361 1.570 10 10 DDCE CS(=O)(=O)N1CCCN(c2ccc(CO)cc2Cl)CC1 703167986 VDPYIUUBKUTORF-UHFFFAOYSA-N 318.826 1.304 10 10 DDCE NC(=O)[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 1135516947 CQEDRELDWBNPFX-MRVPVSSYSA-N 320.370 1.650 10 10 DDCE CCOC(=O)[C@H](NCCCN=[N+]=[N-])c1cnn(C)c1Cl 712420761 UCRPVBJPJRHDMS-SECBINFHSA-N 300.750 1.968 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cccn2c(O)nnc12 1156171241 YRZRGSLSMVQRTE-UHFFFAOYSA-N 302.265 1.210 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCc3ncncc3C2)cc1 1303006265 BYBAQYOAOFTWBC-UHFFFAOYSA-N 310.317 1.838 10 10 DDCE Cc1cc(C(=O)N(C)S(C)(=O)=O)c(C)n1-c1ccccn1 1323598025 CDLMTQGPWUGWHN-UHFFFAOYSA-N 307.375 1.521 10 10 DDCE CC(C)(CNS(C)(=O)=O)NCc1ccc(Cl)cc1O 1207632514 ZUVKYRLITPOEJW-UHFFFAOYSA-N 306.815 1.463 10 10 DDCE CC(=O)N1CCN(c2ccc(CNC[C@@H](O)C3CC3)cc2)CC1 1335449908 VIUHKRGSUPTMQF-GOSISDBHSA-N 317.433 1.216 10 10 DDCE COc1cc(OC)nc(C(=O)NCc2cc(Cl)ccc2O)n1 1632227359 COXSPRILHYSYSJ-UHFFFAOYSA-N 323.736 1.783 10 10 DDCE C[C@H](NC(=O)CN(C)[C@@H]1CCC[C@H]1O)c1ccc(N(C)C)cc1 1638957599 RZEDRFUSPIUPOE-IAOVAPTHSA-N 319.449 1.775 10 10 DDCE Cc1cn2cc(CC(=O)NCc3cc(O)ccc3O)nc2s1 1643885290 PXUCRFHBPQRLRT-UHFFFAOYSA-N 317.370 1.974 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)c2cc[nH]c2)cc1C 1571429504 FSVMYVPVBFWPDP-OAHLLOKOSA-N 317.389 1.212 10 10 DDCE Cc1ncc2c(n1)CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C2 1588233007 UXDMGUJFOWMFHA-CYBMUJFWSA-N 313.357 1.412 10 10 DDCE CC(C)(C)OC(=O)NC1(C(=O)NCc2cc(O)ccc2O)CC1 1593873200 LFXGVZAQKHBQDV-UHFFFAOYSA-N 322.361 1.771 10 10 DDCE Cc1cc(C)nc(SCC(=O)NCc2cc(O)ccc2O)n1 1593869201 SGMSUQKPAGSJGN-UHFFFAOYSA-N 319.386 1.913 10 10 DDCE O=S1(=O)C[C@@H]2CN(Cc3ccc(F)c(F)c3O)C[C@@H]2C1 897617837 DTPOPSKPRARVBN-AOOOYVTPSA-N 303.330 1.147 10 10 DDCE CO[C@@H](CO)CNCc1cc(Br)cc(F)c1O 1963410791 PMEHBOJFGVISKI-SECBINFHSA-N 308.147 1.391 10 10 DDCE COC(=O)NS(=O)(=O)N(Cc1ccc(N)cc1)C(C)C 162758466 YYUWXALBDOKVJA-UHFFFAOYSA-N 301.368 1.080 10 10 DDCE CN[C@H](C)c1ccc(N2CCS(=O)(=O)C[C@H]2C)c(F)c1 299947485 UQYJLQBMNHHKFX-GHMZBOCLSA-N 300.399 1.729 10 10 DDCE COC[C@H]1CN(c2ccc(CN)cc2Br)CCO1 705820534 XNCHNPUIRVIEGX-LLVKDONJSA-N 315.211 1.759 10 10 DDCE CCN(CCS(C)(=O)=O)c1cc(OC)c(OC)cc1N 688520773 ZHBBJLQRFGWEMV-UHFFFAOYSA-N 302.396 1.157 10 10 DDCE CN(CC1(S(C)(=O)=O)CC1)c1ccc(CN)c(Cl)c1 2111528134 KSWBNHYPOIWMHK-UHFFFAOYSA-N 302.827 1.812 10 10 DDCE C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1ccc(CO)c(Cl)c1 2113954209 FGXURWXVUKRDRD-VHSXEESVSA-N 303.811 1.844 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H](C(=O)O)C2CC2)s1 2269119055 OSRULJZHUHUHAR-MRVPVSSYSA-N 301.393 1.527 10 10 DDCE CCOc1cccc(CNCC[S@](=O)CCOC)c1O 2207027050 GSDYQUUCOVEILQ-FQEVSTJZSA-N 301.408 1.276 10 10 DDCE NCc1cc(F)c(N2C[C@@H](CO)C[C@@H](CO)C2)cc1Cl 2236640658 BMPHKGPXKIGGOB-AOOOYVTPSA-N 302.777 1.365 10 10 DDCE CCNC[C@H](C)CS(=O)(=O)NCc1cnc(SC)s1 2269282620 XLTFICUGTHUYSC-VIFPVBQESA-N 323.509 1.530 10 10 DDCE CSc1ncc(CN2C(=O)[C@@H](C(C)C)NC(=O)[C@@H]2C)s1 2284665270 KUQYJSKSAPWHMJ-WCBMZHEXSA-N 313.448 1.737 10 10 DDCE COc1cc(N2CCCC2)c(OC)cc1C=C1NC(=O)NC1=O 2296769434 KXAGAFWODPZSHZ-UHFFFAOYSA-N 317.345 1.484 10 10 DDCE COC(=O)C[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1 176141920 XABIJQPYYREIBZ-OAHLLOKOSA-N 305.374 1.645 10 10 DDCE Nc1ccc(NC(=O)CCS(=O)(=O)C2CCOCC2)cc1 62054898 CAKUOZQXACHOSB-UHFFFAOYSA-N 312.391 1.191 10 10 DDCE CN(C[C@H](O)C1CC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 301868521 DXWYVQOWLAIKKN-LBPRGKRZSA-N 307.306 1.133 10 10 DDCE O=c1c(O)c(-c2cc(O)c(O)cc2O)oc2cc(O)cc(O)c12 14436469 GCWMEFUMPZHUFF-UHFFFAOYSA-N 318.237 1.694 10 10 DDCE biogenic Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 133745146 ILRUKHAZIWTZBM-UHFFFAOYSA-N 312.307 1.441 10 10 DDCE C[C@@H](c1cc(Cl)ccc1O)N(C)CCN(C)S(C)(=O)=O 2146942985 GUHMRAVAFMSEEA-JTQLQIEISA-N 320.842 1.930 10 10 DDCE NC(=O)c1ncccc1C(=O)NCc1ccc(N2CCCC2)cc1 279486991 LGXGHYUJLWPNLF-UHFFFAOYSA-N 324.384 1.711 10 10 DDCE COC(=O)CN(Cc1ccn(C)n1)Cc1cc(Cl)ccc1O 271213420 ZDFSEAOZURLHGF-UHFFFAOYSA-N 323.780 1.954 10 10 DDCE COc1nc(C(=O)N2CCOc3cc(N(C)C)ccc32)co1 625916566 ZFVSSFGSWYABSE-UHFFFAOYSA-N 303.318 1.788 10 10 DDCE C[C@H]1CN(CCO)CCN1Cc1c(O)ccc(Cl)c1F 825336988 BVSTXLQKIXOUJP-JTQLQIEISA-N 302.777 1.683 10 10 DDCE CN(C)c1ccc(/C=C\CNCCC(=O)N2CCOCC2)cc1 835034497 AQTCMGSZTKNLTR-ARJAWSKDSA-N 317.433 1.604 10 10 DDCE C[C@H](O)CN1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835027885 OGQUSSQOSSXBSE-AWFCHZOYSA-N 303.450 1.764 10 10 DDCE O=C(NCc1ccccc1O)c1ccnn1C1CCOCC1 830526871 RSOXETBMYHPEPJ-UHFFFAOYSA-N 301.346 1.870 10 10 DDCE Cc1cc(CNC(=O)[C@@H](O)C(C)(C)O)c(C)n1-c1ccccc1 913167292 PCCDMIXTZLFXNT-MRXNPFEDSA-N 316.401 1.842 10 10 DDCE C=CC(=O)NCCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855233657 KCXFLHYWWVJVQG-ZDUSSCGKSA-N 317.389 1.082 10 10 DDCE CC[C@@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(C)cc1O 927021039 ACOYYCPKYLZDHY-DGCLKSJQSA-N 301.408 1.147 10 10 DDCE O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCNC1=O 852409210 KSOPOPLUCVSSIO-VIFPVBQESA-N 318.160 1.387 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CCn3cncn3)C2)cc1 855233405 YCZHBSXPYYXZSQ-CYBMUJFWSA-N 315.377 1.072 10 10 DDCE COC(=O)C[C@H](CNC(=O)c1c(F)ccc(O)c1O)C1CC1 857326989 JQJIYPYIOWHSKG-SECBINFHSA-N 311.309 1.556 10 10 DDCE COc1ccc(CC(=O)OCC(=O)C(C)=O)cc1OC(F)F 860043933 NBJCQBHJZSWPPM-UHFFFAOYSA-N 316.256 1.540 10 10 DDCE CN(C)c1ccc(CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1 760947092 HIYHRHMLUPDCBE-OAHLLOKOSA-N 305.403 1.680 10 10 DDCE C[C@H](Oc1cccc(CO)c1)C(=O)NCc1ccccc1O 764067180 GJIPZPJGLPNKBX-LBPRGKRZSA-N 301.342 1.968 10 10 DDCE C[C@H](NC[C@@H](O)COC[C@@H]1CCCO1)c1ccc(N(C)C)cc1 775835244 SSAQQMOIPMRPRV-QGTPRVQTSA-N 322.449 1.960 10 10 DDCE CN(C)C(=O)c1ccc(NCCc2ccc(O)c(O)c2)nc1 775675985 IEMZRIROGXIBLW-UHFFFAOYSA-N 301.346 1.849 10 10 DDCE CN1CCCc2cc(CNC(=O)N3C[C@H]4C[C@@]4(CO)C3)ccc21 782952805 DGODDMPIOVQOJO-QAPCUYQASA-N 315.417 1.593 10 10 DDCE CC(=O)c1cn(CC(=O)NCc2c(O)ccc3ccccc23)nn1 1157041964 RFFZHTIUJOIVRM-UHFFFAOYSA-N 324.340 1.656 10 10 DDCE C[C@H](NC(=O)NC[C@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 1226647263 SIHAPENYONJMJB-NWDGAFQWSA-N 304.394 1.249 10 10 DDCE C[C@@]1(C(=O)NCc2cc(O)ccc2O)COc2ccccc2O1 1176756156 ZANFSFALHWXXMN-KRWDZBQOSA-N 315.325 1.944 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CCOC2(CCOCC2)C1 1182970361 YLJAYEDJTHVMGE-UHFFFAOYSA-N 311.309 1.259 10 10 DDCE Cn1nc(Br)cc1S(=O)(=O)NCCCN=[N+]=[N-] 1912179487 UUFGWGABUZLVQW-UHFFFAOYSA-N 323.176 1.161 10 10 DDCE O=C1C[C@H](C(=O)NCc2cc(O)ccc2O)[C@H]2CCCC[C@H]2N1 1471662066 MPIUBDFGIWLLTP-HZSPNIEDSA-N 318.373 1.409 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCNC1=O 1624630464 QNQZBQHAEDZJBU-HNNXBMFYSA-N 301.390 1.381 10 10 DDCE CCOCC(=O)N(C)[C@H](C)CNCc1ccc(OC)c(C)c1 1714529187 FNSLJCVFUILVLN-CQSZACIVSA-N 308.422 1.977 10 10 DDCE CC(=O)Nc1nc(C(=O)NCc2c(O)cccc2O)cs1 1639289340 OFAPXXVJDGTDIC-UHFFFAOYSA-N 307.331 1.443 10 10 DDCE Cc1ccc(O)c(CNC(=O)CN2Cc3ccccc3C2=O)c1 1584983443 KFDQSZGVDFAVKM-UHFFFAOYSA-N 310.353 1.973 10 10 DDCE COc1ccc(CNCCN(C)C(=O)Cc2cc[nH]n2)cc1C 1691281214 VELPERYBMXYMFH-UHFFFAOYSA-N 316.405 1.517 10 10 DDCE C[C@@H]1SC(=S)N(CC(=O)NCCc2ccccc2)C1=O 11635490 RVSWELNWCRJJSO-JTQLQIEISA-N 308.428 1.594 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCc2nncn2CC1 880539964 NEOOURAJQOSISD-SNVBAGLBSA-N 320.780 1.906 10 10 DDCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@@H](C2OCCO2)C1 2145858865 PLINGGKTGFQPDJ-QWHCGFSZSA-N 319.405 1.681 10 10 DDCE Cn1nc(Br)cc1[C@H](O)[C@H](N)c1ccccc1O 2031152174 CBKIQZQGQABVHZ-NEPJUHHUSA-N 312.167 1.622 10 10 DDCE CC1(CCNCc2ccc(N3CCOCC3)cc2)OCCO1 715972090 HLGGAWYIPGLGFO-UHFFFAOYSA-N 306.406 1.766 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)c1ccc(CN)c(F)c1F 2170568041 RUVCBEPYXBSYTB-VIFPVBQESA-N 306.378 1.683 10 10 DDCE CO[C@H]1C[C@@H](CF)N(S(=O)(=O)Cc2ccc(N)cc2)C1 2190241887 YWYYCNQQJHUCQB-STQMWFEESA-N 302.371 1.157 10 10 DDCE CO[C@@H]1C[C@H](O)CN(c2ccc(CO)c(Br)c2)C1 2046670606 AQOCXEBWXVKLPZ-NWDGAFQWSA-N 316.195 1.527 10 10 DDCE Cn1c(C2=C[C@H](O)[C@@H](N)C2)nc2cncc(Br)c21 2067754315 HRCKIOUMZFWLSY-WPRPVWTQSA-N 309.167 1.206 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1c[nH]c(CO)c1 2101585327 BDOOZDNEOWYPRK-UHFFFAOYSA-N 302.739 1.667 10 10 DDCE CN(c1ccc(CN)cc1Cl)[C@H]1CS(=O)(=O)C1(C)C 2097550151 VWHFSFYJEWRCFS-LBPRGKRZSA-N 302.827 1.811 10 10 DDCE O=S1(=O)CCCCN1CCNCc1ccc(F)cc1O 2204744104 IRPGIJILJHPMGQ-UHFFFAOYSA-N 302.371 1.047 10 10 DDCE OCc1ccc(N2CC[C@H](O)[C@@H](O)CC2)c(Br)c1 2256959276 NSDNIBFYYCSZQO-STQMWFEESA-N 316.195 1.263 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H]2[C@@H](O)CO)c(Br)c1 2258340088 NCIYCWBEXCVWON-CKLFPEKLSA-N 315.211 1.401 10 10 DDCE CN(C)S(=O)(=O)[C@H]1CCN(c2ccc(CO)cc2Cl)C1 2279221405 LIJDUEAUKAJKMG-NSHDSACASA-N 318.826 1.302 10 10 DDCE CC[C@H](NC(=O)C=Cc1ccc(N2CCOCC2)cc1)C(=O)O 2311972908 VQYXSGVXGSSGSZ-HNNXBMFYSA-N 318.373 1.516 10 10 DDCE C[C@H](O)c1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(Cl)c1 2336478535 CZEWDECQSGCIKN-PLMOITTCSA-N 301.795 1.627 10 10 DDCE Cc1nc(S(=O)(=O)Nc2ccc(O)cc2)c(Cl)n1C 2338845813 UUZYECIZBQVSBK-UHFFFAOYSA-N 301.755 1.888 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2cn3cccnc3n2)c1 103529591 HZAUSXRXJOZAIQ-SNVBAGLBSA-N 312.329 1.935 10 10 DDCE CCN1C(=O)/C(=C/N2CCc3ccccc32)C(=O)NC1=S 104912150 YIZBQQXWCJSZQK-PKNBQFBNSA-N 301.371 1.196 10 10 DDCE O=C1Cc2cc(N3CCN(C(=O)[C@H]4CCCO4)CC3)ccc2N1 62093541 HJILQFHSMVUJFW-OAHLLOKOSA-N 315.373 1.009 10 10 DDCE C[C@H](Nc1ccc(S(N)(=O)=O)cc1)c1cc(O)ccc1O 21016120 ALPJTCJKGHWWRD-VIFPVBQESA-N 308.359 1.918 10 10 DDCE C[C@H](N)c1ccc(N2CCNC(=O)[C@@H]2C)cc1Br 235510945 XRKFBMSALAIPFB-IUCAKERBSA-N 312.211 1.794 10 10 DDCE CN1CCCc2cc(/C=C\C(=O)NCc3nncn3C)ccc21 96314491 UGRSOJJSOGAHMO-VURMDHGXSA-N 311.389 1.527 10 10 DDCE COC(=O)C[C@H](N)c1ccc(I)cc1O 95770487 GVRBCGVEWWGQDA-QMMMGPOBSA-N 321.114 1.560 10 10 DDCE COC(=O)c1cncnc1N(C)Cc1ccc(N(C)C)cc1 804329227 BGXTVUBFXNLCOF-UHFFFAOYSA-N 300.362 1.966 10 10 DDCE Fc1cc(CN2CCC3(CCN3)CC2)ccc1N1CCOCC1 817866300 XLPJEVAFAUYQIO-UHFFFAOYSA-N 319.424 1.990 10 10 DDCE CN1CCC[C@@](O)(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 900025756 HJGVJZVNOAIURP-GOSISDBHSA-N 319.449 1.558 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)COCc2nccn2C)c1 830540149 FUIHLUSYMHVMPN-NSHDSACASA-N 319.361 1.528 10 10 DDCE COc1ccc(N(C)Cc2cnnn2[C@H]2CCCNC2)cc1F 903902112 CZXRVOKXZNKSKS-ZDUSSCGKSA-N 319.384 1.987 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CNCC[C@H]1C 841824751 SNJJOXPYDUSWOC-MLGOLLRUSA-N 304.438 1.858 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CC3OCCO3)C2)cc1 855225021 HQRCJVUAYKETIU-GFCCVEGCSA-N 306.362 1.153 10 10 DDCE C[C@@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(Cl)cc1O 927029378 ZTMJTSULZOWXAF-SCZZXKLOSA-N 307.799 1.102 10 10 DDCE C[C@@H](N[C@H]1CCNC1=O)c1ccc(N2CCOCC2)c(F)c1 850480487 BRUXIOXXIPSLEJ-RISCZKNCSA-N 307.369 1.201 10 10 DDCE NC(=O)CC1(CNC(=O)c2c(F)ccc(O)c2O)CCCCC1 857335739 RCKUHLDKAAJLDM-UHFFFAOYSA-N 324.352 1.793 10 10 DDCE C[C@@H]1CCc2nc(C(=O)NCc3ccc(O)c(O)c3)cn2C1 857945416 RAQGZPVGVSPKGM-SNVBAGLBSA-N 301.346 1.807 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CC[C@@H]3CCCN3)C2)cc1 852843746 GIDGMYAELCSPJZ-GJZGRUSLSA-N 317.433 1.922 10 10 DDCE C[C@H]1COCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 767688402 XDJIFTDTRZCMAU-YOEHRIQHSA-N 318.417 1.812 10 10 DDCE CNS(=O)(=O)C[C@H]1CCCN(Cc2cccc(C)c2O)C1 862552420 YHUVJJSFIURJFS-ZDUSSCGKSA-N 312.435 1.462 10 10 DDCE CN(C)c1ccc(CN2C[C@@H](O)C[C@@H](O)C2)c(C(F)(F)F)c1 792843724 QBMYPABSWCFJAP-BETUJISGSA-N 318.339 1.699 10 10 DDCE Cc1ccnc2nc(C(=O)NCc3cccc(Cl)c3O)nn12 1305069817 PWFAOGOGRSDWIL-UHFFFAOYSA-N 317.736 1.722 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H](C1CCC1)[C@@H]1CCOC1 1302621519 RNQSGHVXXHWZHO-CXAGYDPISA-N 305.374 1.962 10 10 DDCE COCC1=CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1330487909 UKDWECMNDAIYKW-UHFFFAOYSA-N 316.357 1.040 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCCCCCF)cc1 1913688234 MOOBPFHKYXVUFX-UHFFFAOYSA-N 304.387 1.707 10 10 DDCE CC[S@](=O)(=NC[C@@H](O)COc1ccc(N)cc1)C(C)C 1913893769 XFTIMSYTBDHAGO-ZUOKHONESA-N 300.424 1.905 10 10 DDCE COc1cccc([C@H](O)C(=O)NCc2ccc(O)cc2O)c1 1299572939 HFYWYDFYLMIDPO-HNNXBMFYSA-N 303.314 1.456 10 10 DDCE CC(C)[C@H](NC(N)=O)C(=O)NCCCSc1nccs1 1628325209 FDWHQKQHOOVNTN-VIFPVBQESA-N 316.452 1.434 10 10 DDCE CN(C)[C@@H]1CCC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 1622753117 HRFKRXDDOFHTFJ-UONOGXRCSA-N 306.406 1.877 10 10 DDCE CC(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)C(C)(C)C1 1631654848 FMLNZDSKGFPIJA-UHFFFAOYSA-N 306.362 1.110 10 10 DDCE CNCc1ccc(N2CCS(=O)(=O)C[C@@H]2C)c(Cl)c1 228795506 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LTKXSQXUCUNRQH-AWEZNQCLSA-N 301.390 1.524 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCOc1ncccc1Cl 1137251017 OFOFEXSUCLVSBF-UHFFFAOYSA-N 322.748 1.884 10 10 DDCE CCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1142778326 GREVHELYNGLGIO-ZDUSSCGKSA-N 320.389 1.405 10 10 DDCE CNCc1ccc(N2CCSC[C@@H]2S(C)(=O)=O)c(C)c1 90923205 BFZRJPCLKOIXSL-AWEZNQCLSA-N 314.476 1.638 10 10 DDCE Cc1nn(C)cc1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 1154025532 IBTYGMVSTSYONA-JTQLQIEISA-N 303.362 1.430 10 10 DDCE CN(C)C(=O)OC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1159722474 KWFYZTUVCYSJRR-UHFFFAOYSA-N 322.361 1.330 10 10 DDCE O=C(NCc1cccc(O)c1O)C(F)(F)c1nccs1 1153798098 MBUXUPCRMVEYKA-UHFFFAOYSA-N 300.286 1.963 10 10 DDCE C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H]1C 1329437023 KQRJHUWGWXDEEJ-RYUDHWBXSA-N 302.374 1.739 10 10 DDCE CS(=O)(=O)N[C@H]1CCN(Cc2ccc(Cl)cc2O)C1 1658874544 GUBMRINDVQJDCG-NSHDSACASA-N 304.799 1.169 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@]1(C)CC1(F)F 1330202142 LISVLZAOJHKKLB-CQSZACIVSA-N 312.316 1.512 10 10 DDCE O=S1(=NCCNCc2ccc(O)c(O)c2O)CCCC1 1913883314 ZFMCZMHPPMPRTD-UHFFFAOYSA-N 300.380 1.155 10 10 DDCE CC(=O)C(=O)[C@]1(O)CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 1919368077 JTRZXCABJUEKFZ-JKSUJKDBSA-N 311.378 1.687 10 10 DDCE C[Si](C)(CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1638283872 CQLCOLKVYPQHSL-UHFFFAOYSA-N 315.445 1.911 10 10 DDCE Cc1cc(C(=O)NCc2cc(O)ccc2O)n2nc(C)cc2n1 1637122629 KOUUXBOVHOYUHK-UHFFFAOYSA-N 312.329 1.687 10 10 DDCE Cn1ncc(Br)c1CC(=O)NCc1ccccc1O 1636057452 CUBFHSNCGYDKAQ-UHFFFAOYSA-N 324.178 1.747 10 10 DDCE O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cc(O)ccc1O 1644752488 HROZOQNVETUFMO-UHFFFAOYSA-N 318.285 1.701 10 10 DDCE CC(C)(C)[C@@H](CCO)NS(=O)(=O)Cc1ccc(N)cc1 231067736 FZMRWIBGSDTQGB-CYBMUJFWSA-N 300.424 1.485 10 10 DDCE CCc1noc(CCCC(=O)NCc2cc(O)ccc2O)n1 1651222679 MJRQJWYMRPOPGK-UHFFFAOYSA-N 305.334 1.682 10 10 DDCE C[C@@H]1CCCN(C[C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)C1 1597466995 JFSNZTAXTQYOFV-CHWSQXEVSA-N 306.406 1.877 10 10 DDCE O=C1NC(=S)S/C1=C/c1cnc(N2CCOCC2)s1 1772825486 QRORHJTXXRNDIK-VMPITWQZSA-N 313.429 1.469 10 10 DDCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](C)CCO 154253368 PZXZETGTYLEHHT-NSHDSACASA-N 301.346 1.999 10 10 DDCE CCOCCCS(=O)(=O)Nc1ccc(O)cc1C(=O)O 2145160026 YVXWRORHGVZCRB-UHFFFAOYSA-N 303.336 1.259 10 10 DDCE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)Nc1ccc(N)cc1 1993268081 ITFFBSBCNOSMBK-GFCCVEGCSA-N 323.393 1.872 10 10 DDCE CC(C)(C)OC(=O)N1CC(CO)(CNCc2ccc(N)cc2)C1 1993663235 KIYZWTRQZAHPGW-UHFFFAOYSA-N 321.421 1.588 10 10 DDCE OCc1ccc(N2C[C@@H]3OCCO[C@@H]3C2)c(Br)c1 2032411495 HSRQWTRCQDQBEI-BETUJISGSA-N 314.179 1.545 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCC3(C)CCOCC3)c2n1 2062199716 YOCKJYMCUGIMFQ-UHFFFAOYSA-N 304.350 1.290 10 10 DDCE CC(C)S(=O)(=O)CCN(C)CCOc1ccc(N)cc1 2170438968 IHQSENKRZTWWCO-UHFFFAOYSA-N 300.424 1.403 10 10 DDCE CN(C(=O)OC(C)(C)C)S(=O)(=O)Nc1ccc(N)cc1 2081101769 VNRXTMSJHDOTRJ-UHFFFAOYSA-N 301.368 1.792 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2CCOC[C@H]2CO)c1O 2193251992 DUGHLIBTCPMYCG-PWSUYJOCSA-N 301.770 1.541 10 10 DDCE CC(C)[C@H](CN)CS(=O)(=O)N(C)Cc1ccccc1O 2192589438 JKBBHMQUZBFDNR-CYBMUJFWSA-N 300.424 1.385 10 10 DDCE NCc1ccc(N2CCn3ncc(O)c3C2)cc1Br 2112055042 PJPSMLVKAYZFJD-UHFFFAOYSA-N 323.194 1.830 10 10 DDCE COc1ccc(N(CC(N)=O)Cc2ccccc2)c(C(=O)O)c1 2211285211 ODXRXUBJWTYRQU-UHFFFAOYSA-N 314.341 1.885 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@H](C)C(=O)O)s1 2256942306 WTJUNBFNLSKTCS-LURJTMIESA-N 310.422 1.005 10 10 DDCE [N-]=[N+]=NCCCCN1CCN(S(=O)(=O)C(F)(F)F)CC1 2282994589 LLUFGCBTMAHRTH-UHFFFAOYSA-N 315.321 1.544 10 10 DDCE COc1cc(OC)c(N2CC[C@H](O)[C@H](O)CC2)cc1Cl 2285856148 KLSJDNGYFRJOQV-TXEJJXNPSA-N 301.770 1.679 10 10 DDCE COCCN1CCC(NC(=O)C=Cc2ccc(O)c(O)c2)CC1 2307986535 GPDXSEYHIMUXRT-UHFFFAOYSA-N 320.389 1.338 10 10 DDCE COC(=O)C(=O)NCc1ccc(C)c(Br)c1O 2307451703 CFGMZIAXZBQLBK-UHFFFAOYSA-N 302.124 1.252 10 10 DDCE COc1ccc(N2CCN(C(=O)c3cc(C)n(C)n3)CC2)cc1 74685244 FXVVTLXWNWRSQJ-UHFFFAOYSA-N 314.389 1.700 10 10 DDCE CN(C)c1ccc(CNC(=O)N(CCO)CC(F)F)cc1F 192526919 NIXSCFVNCDXFND-UHFFFAOYSA-N 319.327 1.661 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N(C)CCO)c(Br)cc21 92775311 YSTZDBQXKJLKOA-NSHDSACASA-N 314.183 1.090 10 10 DDCE N[C@@H](CO)c1c(O)cc(Br)cc1Br 95706273 UMWARQYDPARPBV-LURJTMIESA-N 310.973 1.909 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CNC[C@@H](O)Cc2ccccc2)c1 238133635 VDFOZHXNWPTYCL-HNNXBMFYSA-N 302.330 1.994 10 10 DDCE CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(OC)ccc1O 372280634 FMOLOLLQUKKFKH-HIFRSBDPSA-N 323.389 1.943 10 10 DDCE COc1c(O)cccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 728698597 OOOFIMWRWUWRCM-RAXLEYEMSA-N 310.309 1.862 10 10 DDCE N=C1NC(=O)/C(=C\c2ccc(N3CCC(O)CC3)cc2)S1 905083727 GYMKGUCLMPYCPS-UKTHLTGXSA-N 303.387 1.786 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCO[C@H](CF)C2)c([N+](=O)[O-])c1 840359727 WTBPJXHFBOVTMY-KTLBGCOUSA-N 324.308 1.956 10 10 DDCE CCO[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)CN(C)C 926961480 PFBAMEOMSIWLRT-AAEUAGOBSA-N 311.382 1.918 10 10 DDCE C[C@@H]1CCC[C@@H](CNC(=O)C(=O)NCCc2ccc(N)cc2)O1 851688214 SYXXRBVXDXIQEZ-DOMZBBRYSA-N 319.405 1.001 10 10 DDCE COc1ccc(N2CC[C@@H](NC3CCN(OC)CC3)C2)cc1 926680817 RXWYKUQAUOGUNV-OAHLLOKOSA-N 305.422 1.889 10 10 DDCE CCN(CC)c1ccc(CNC(=O)N[C@H]2CCNC2=O)cc1 851988134 UEFJCGBZAZRNLU-AWEZNQCLSA-N 304.394 1.221 10 10 DDCE C[C@H](c1cc(F)ccc1O)N1CC[C@H](NS(C)(=O)=O)C1 703139591 RGMHHWXPOXRBSW-KOLCDFICSA-N 302.371 1.216 10 10 DDCE CCCC(=O)N1CCC[C@@H]1C(=O)NCc1c(O)cccc1O 1156880962 JLNFTZIFFYLVSU-GFCCVEGCSA-N 306.362 1.505 10 10 DDCE CCCOc1ccnc(CC(=O)NCc2cccc(O)c2O)n1 1153797875 GTMLTUMGGWFSFC-UHFFFAOYSA-N 317.345 1.536 10 10 DDCE COC(=O)C[C@@H]1CC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1 1304718228 GGRVJMLZSAUDGI-MNOVXSKESA-N 307.346 1.868 10 10 DDCE O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC(CCF)CC1 1351941134 HXQOHFNYTXOCQT-UHFFFAOYSA-N 320.364 1.833 10 10 DDCE C[C@@](O)(C(=O)NCc1cccc(O)c1O)c1ccc(F)cc1 1455318009 XOBRGNVQAFKADQ-INIZCTEOSA-N 305.305 1.761 10 10 DDCE Cc1ncc(C(=O)NCc2ccc3cccnc3c2O)c(N)n1 1469249348 NMQXCWPLHCVGBM-UHFFFAOYSA-N 309.329 1.551 10 10 DDCE NC(=O)COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1543389791 XFIHSTWFEMTYMT-UHFFFAOYSA-N 316.313 1.143 10 10 DDCE C[C@H](CC(N)=O)C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1629108162 VKSHWYVVNOIUJY-LLVKDONJSA-N 323.356 1.846 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2ccnn2C)cc1C 1481214645 WZNAIQLCMANPTJ-UHFFFAOYSA-N 316.405 1.599 10 10 DDCE CSC1(CNC(=O)Cc2ccc(O)c(O)c2)CCN(C)CC1 1637049116 AMSKCSPOCHOZAE-UHFFFAOYSA-N 324.446 1.584 10 10 DDCE CCS(=O)(=O)N(C)CCN[C@H](C)c1cc(C)ccc1O 1926345375 OJHSMHUXOCHAJZ-GFCCVEGCSA-N 300.424 1.633 10 10 DDCE Cn1ncc(C(=O)NCc2ccc(O)cc2O)c1-n1cccc1 1630302307 XDUSBWOMMWLPAD-UHFFFAOYSA-N 312.329 1.552 10 10 DDCE CN1CCO[C@H](C(=O)NCc2c(O)ccc3ccccc23)C1 1639384686 QRLBLMWQHIBUPA-INIZCTEOSA-N 300.358 1.492 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CCO)c1ccccc1 1631656650 HYIGCDLZRAKVBR-CQSZACIVSA-N 301.342 1.880 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@H]2CCOC2)cc1C 1731897428 XBVMXXIPDVXNBD-HNNXBMFYSA-N 306.406 1.588 10 10 DDCE CN1N=C(C(=O)NCc2c(O)ccc3ccccc23)CCC1=O 1645440406 BYIDGXWIJYQRQL-UHFFFAOYSA-N 311.341 1.770 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC(NC2CCOCC2)C1 1649382136 YTMQMSVLXIBPAI-DUXPYHPUSA-N 318.373 1.090 10 10 DDCE COC(=O)CCCONC(=O)c1ccc(N=NC(N)=O)cc1 1652791466 OFMMFNHKWMQZMP-UHFFFAOYSA-N 308.294 1.464 10 10 DDCE COc1cc(CO)ccc1C(=O)NCc1cccc(O)c1O 1593745103 XKTRHUPGLKRPGI-UHFFFAOYSA-N 303.314 1.529 10 10 DDCE CCC(=O)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1688152988 CJQPYKFIMDUVHD-VIFPVBQESA-N 305.338 1.494 10 10 DDCE C[C@@H]1CO[C@H](CO)CN1c1ccc(CN)cc1C(F)(F)F 163733906 MHZNZLJKNNOQQT-KOLCDFICSA-N 304.312 1.750 10 10 DDCE CN1C(=O)C(=Cc2cnc(C3CCC3)s2)C(=O)N(C)C1=O 155136604 DJPVUTHYGVVYMH-UHFFFAOYSA-N 305.359 1.844 10 10 DDCE CCCNCc1ccc(N2CCOC[C@H]2C(N)=O)c(Cl)c1 159018840 UROPUWSWTULUGD-AWEZNQCLSA-N 311.813 1.530 10 10 DDCE NC(=O)c1ccc(/N=N/N2CCN(c3ncccn3)CC2)cc1 1860480993 OCZNAEQMIQORSD-FMQUCBEESA-N 311.349 1.396 10 10 DDCE Cc1csc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)n1 1857878516 FRECASRHWXERNA-UHFFFAOYSA-N 301.335 1.262 10 10 DDCE O=S1(=O)CC[C@@H]1CNCc1cc(Cl)cc(Cl)c1O 1972328444 HJJXMQWEZWHGIS-SECBINFHSA-N 310.202 1.976 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)c1cnc(O)nc1O 2145850884 HVAMVKJMDXKJJG-UHFFFAOYSA-N 317.710 1.048 10 10 DDCE C[S@](=O)CC1CN(c2ccc(CO)c(Br)c2)C1 2001786914 FYNODKNVOBVTLS-KRWDZBQOSA-N 318.236 1.756 10 10 DDCE Oc1c(F)cc(Br)cc1CNCCn1cnnn1 2029964932 RTQQRFHBQLCMGI-UHFFFAOYSA-N 316.134 1.070 10 10 DDCE C[C@H](CS(N)(=O)=O)NCc1cc(Cl)cc(Cl)c1O 2035453024 SDLOYXGDOHUDES-ZCFIWIBFSA-N 313.206 1.466 10 10 DDCE CC(C)S(=O)(=O)CCN(C)c1ccc([C@H](C)O)c(O)c1 2170467386 PJUOSJKIOMPRED-NSHDSACASA-N 301.408 1.705 10 10 DDCE Oc1ccc(Br)cc1CN[C@@H]1CCOC[C@@H]1O 706777428 BMYISNIZZZQIGR-PWSUYJOCSA-N 302.168 1.394 10 10 DDCE Cn1[nH]c(Br)nc1=NCCc1ccc(O)c(O)c1 2052952463 CKEMJDYFWFSKRV-UHFFFAOYSA-N 313.155 1.065 10 10 DDCE Nc1ccc(O)c(CNC(=O)c2n[nH]cc2Br)c1 2070680427 FQMWBKSBRYHLBR-UHFFFAOYSA-N 311.139 1.390 10 10 DDCE CN(C)c1ccc([C@H](NN)c2cnn(C)c2Br)cc1 2106853680 UNTHCZWUEQSART-LBPRGKRZSA-N 324.226 1.801 10 10 DDCE NCc1ccc(N2CCC[C@H]3CNC(=O)[C@H]32)cc1Br 2264594608 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10 10 DDCE NC(=O)NCCCCC(=O)NCc1ccc2cccnc2c1O 862028591 DUEZYFDKASQXTB-UHFFFAOYSA-N 316.361 1.395 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CC[C@@H](C(F)F)C2)cc1 761115015 ZIXGCEZEVYBKOV-CYBMUJFWSA-N 311.376 1.956 10 10 DDCE C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2C(=O)/C=C/c1ccc(O)c(O)c1 871112395 YEAPHAICOAPEJC-RKEQNYKBSA-N 303.358 1.871 10 10 DDCE CN1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O 897509521 VDZJHJDOYBEDKS-VIFPVBQESA-N 320.370 1.663 10 10 DDCE COc1cccc(CNCC(C)(C)CS(C)(=O)=O)c1O 723879127 KTEPMYFHGWLXGV-UHFFFAOYSA-N 301.408 1.561 10 10 DDCE COc1ccc([C@H](C)N(C)[C@H](C)CS(C)(=O)=O)c(O)c1 688542736 JBUNICRPWJXDPK-MNOVXSKESA-N 301.408 1.827 10 10 DDCE CC(C)(C)CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(N)=O 1155938417 LAHCKJUCJFPWEI-HOSRBBHYSA-N 320.389 1.907 10 10 DDCE O=C1O[C@H](C(=O)NCc2cc(O)ccc2O)Cc2ccccc21 1176747833 CJCSDEFGLVCYRY-HNNXBMFYSA-N 313.309 1.496 10 10 DDCE C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1cccc(O)c1O 1347234411 NXUISQDKXXVIIV-DGCLKSJQSA-N 309.362 1.688 10 10 DDCE CCCN(CCN1CCCC1)C(=O)Cc1ccc(O)c(O)c1 1467903123 LRUCQZDAUKWYND-UHFFFAOYSA-N 306.406 1.975 10 10 DDCE CN(C(=O)Cc1ccc(O)c(O)c1)C1C[C@@H]2CC[C@H](C1)N2C 1467945667 DIQVPJGFSJGZJY-PBWFPOADSA-N 304.390 1.724 10 10 DDCE COCCNC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1569099690 GYAYYVSNYJDCQP-JTQLQIEISA-N 307.354 1.203 10 10 DDCE C[C@H](NC(=O)NCc1nc(C2CC2)n[nH]1)c1ccccc1O 1635642524 VBDVSLJOQIAISC-VIFPVBQESA-N 301.350 1.948 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cnc2[nH]c(O)nc2c1 1643103594 AZVGSXNMRZNIJW-UHFFFAOYSA-N 300.274 1.005 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@H]1COCCN1C1CCCC1 1644753997 MTDDUWYVMGHFNV-OAHLLOKOSA-N 320.389 1.357 10 10 DDCE CCNCc1ccc(N2CCN3C(=O)NC[C@@H]3C2)c(Cl)c1 164142277 UXCDHDBBFQPHIT-GFCCVEGCSA-N 308.813 1.663 10 10 DDCE Oc1ccc2c(c1)OC[C@@](O)(Cc1ccc(O)c(O)c1)[C@@H]2O 13481875 MPGFEHZDABUJFR-CVEARBPZSA-N 304.298 1.203 10 10 DDCE biogenic CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCCN=[N+]=[N-] 1963815629 AVWVYTXBFMWBAP-VIFPVBQESA-N 301.347 1.343 10 10 DDCE NCc1ccc(N2C[C@@H]3[C@H](CCCS3(=O)=O)C2)cc1Cl 2145064158 MBAJKLIHVSZZKK-BXUZGUMPSA-N 314.838 1.812 10 10 DDCE NC(=O)NCCCNCc1cc(Br)ccc1O 2002537144 OJPNOYGJMZEHGD-UHFFFAOYSA-N 302.172 1.303 10 10 DDCE C[C@H](O)c1ccc(N2CCC[C@H]2CS(C)(=O)=O)c(F)c1 2151276256 RXBZLFXRPXHVOV-JQWIXIFHSA-N 301.383 1.892 10 10 DDCE O=S1(=O)CC2(CCN(c3ccc(CO)cc3Cl)CC2)C1 2150342467 WEAQWDRVEXLGKK-UHFFFAOYSA-N 315.822 1.847 10 10 DDCE CNCc1ccc(N(C)[C@H](C)CC(N)=O)c(Br)c1 2033936308 QUSRVLRBXURBRC-SECBINFHSA-N 314.227 1.869 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)CC[S@@]1=O 2171967966 DYWIARZWNSVWMG-DKZRERMLSA-N 313.810 1.249 10 10 DDCE CCS(=O)(=O)[C@@H]1CCN(Cc2ccc(F)c(F)c2O)C1 2179906781 AECIEJAWCFOSSM-SNVBAGLBSA-N 305.346 1.679 10 10 DDCE CC1(C)C[C@H](S(C)(=O)=O)CN1Cc1cc(F)ccc1O 2179903680 ZLJPGWVGIJISNJ-LBPRGKRZSA-N 301.383 1.929 10 10 DDCE N[C@@H]1CN(Cc2cc(Br)ccc2O)CC[C@H]1CO 2058510019 PCDJLRCBMIZQLW-JOYOIKCWSA-N 315.211 1.296 10 10 DDCE O=C(O)c1cnc(Sc2nnnn2CC(F)(F)F)s1 2225657214 YQZVQBOMNBTGLL-UHFFFAOYSA-N 311.270 1.541 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H]3O)c(Br)c1 2258314751 SAYPIUHTRHAREW-GNXNZQSNSA-N 311.223 1.986 10 10 DDCE C[C@H](NS(=O)(=O)C1CC2(C1)OCCO2)c1ccccc1O 2263516948 KDXPDZQMZPYHOT-JTQLQIEISA-N 313.375 1.278 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](C(=O)O)[C@H](C)F)s1 2269102021 WKQNHAKBLAWOLI-FSPLSTOPSA-N 307.372 1.475 10 10 DDCE COc1ccc(C=C2SC(NC(C)=O)=NC2=O)c(OC)c1 2294009879 VBTDIVURDFYYCV-UHFFFAOYSA-N 306.343 1.810 10 10 DDCE CO[C@H](CS(=O)(=O)CCOc1ccc(N)cc1)C(C)C 2284036545 IVTVKMIFLSULJK-CQSZACIVSA-N 301.408 1.733 10 10 DDCE COc1cc(OC)c(N2CC[C@@H](O)[C@@H](CO)C2)cc1Cl 2285911995 SWVGLLIECBOCCZ-BXKDBHETSA-N 301.770 1.537 10 10 DDCE CC(C)S(=O)(=O)C[C@@](C)(Sc1nccs1)C(=O)O 2327003480 VZFWOLPORYMNLO-SNVBAGLBSA-N 309.434 1.902 10 10 DDCE O=C1NC(=O)[C@@H]2[C@@H]1ON(Cc1ccccc1)[C@@H]2c1ccccc1O 102544959 YTNXKGBJVHRFBR-XHSDSOJGSA-N 324.336 1.522 10 10 DDCE Cc1ccccc1-n1c(C)cc(C(=O)NCCNC(N)=O)c1C 124751411 XZUUQRHUJYBJPG-UHFFFAOYSA-N 314.389 1.801 10 10 DDCE COCCN1CCCN(Cc2cc3c(cc2O)CCC3)CC1=O 189289279 KGCVDRHVDCVIGZ-UHFFFAOYSA-N 318.417 1.562 10 10 DDCE CCN1CCN(CC(=O)N[C@H](C)c2cc(OC)ccc2O)CC1 88360176 XZSRVJXZEUPINB-CYBMUJFWSA-N 321.421 1.216 10 10 DDCE CN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1ccccc1O 264608072 MOHBNXCAWNWXHU-RDJZCZTQSA-N 318.417 1.994 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](O)c1ccc(Br)cc1 808518819 PMNWVNLQQSPVGJ-NSHDSACASA-N 315.119 1.184 10 10 DDCE C[C@H](NC(=O)[C@@H](O)C1CCC1)c1ccc(N2CCOCC2)cc1 825421214 MMVBRDVLQWVSCP-GUYCJALGSA-N 318.417 1.861 10 10 DDCE C[C@H](N(C)Cc1cc(O)n2ncc(C(=O)O)c2n1)C(C)(C)C 846236728 CIEMACSHFDWZRW-VIFPVBQESA-N 306.366 2.000 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)c1cn(CC2CC2)nn1 846476083 IOINXDFWBOGJNU-UHFFFAOYSA-N 306.753 1.977 10 10 DDCE C[C@@H]1CNCC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 841990435 YDCFQNCYLOIWTG-CZUORRHYSA-N 304.438 1.892 10 10 DDCE CCOCc1cc(CNC[C@@H]2COCCN2C)ccc1OC 858275531 BOBMPKZMVLAPAM-MRXNPFEDSA-N 308.422 1.652 10 10 DDCE C[C@]1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCO1 856212250 JECXEKHUAANPIZ-GOSISDBHSA-N 318.417 1.833 10 10 DDCE C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1[C@H]2CN[C@H]1C2 925481611 RBLUUDQNUYOGFY-JDIZFGSQSA-N 319.424 1.748 10 10 DDCE Cc1cc(C(=O)NCC23CC(CN2)C3)c(C)n1-c1ccccn1 852866498 IXSZBYQQVPAAIN-UHFFFAOYSA-N 310.401 1.971 10 10 DDCE CN(C)C(=O)CCCC(=O)NCc1ccc2cccnc2c1O 862028446 ZSYMJQJPYMNYBQ-UHFFFAOYSA-N 315.373 1.815 10 10 DDCE COc1ccc(CNC(=O)c2c[nH]nc2[C@H]2CCCO2)c(O)c1 867955563 CPGMWEMRPDNVNJ-CQSZACIVSA-N 317.345 1.905 10 10 DDCE CCOc1ccc(O)c(CN[C@]2(CC(=O)OC)CCOC2)c1 766465683 CIDJSTXWOVNNLE-INIZCTEOSA-N 309.362 1.603 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(C2OCCO2)CC1 1542567873 FTVOBAFDFVBTDV-UHFFFAOYSA-N 307.346 1.252 10 10 DDCE COC(=O)c1c(CNCC[C@H](C)O)c2cc(F)ccc2n1C 894563514 QRNJIIQZXKJTHV-JTQLQIEISA-N 308.353 1.965 10 10 DDCE O=C(NCc1nc(-c2ccncc2)n[nH]1)c1cccc(O)c1O 1142373728 ZUWVIYLDNQFQOZ-UHFFFAOYSA-N 311.301 1.208 10 10 DDCE C/C(=C/C(=O)N1C[C@H](C(N)=O)Cc2ccccc21)c1cnccn1 1455969788 GMGFIVKJLKSEHM-ICDLMJIXSA-N 322.368 1.571 10 10 DDCE CCN(C)C(=O)[C@@H]1CSCN1C(=O)Cc1ccc(O)c(O)c1 1542741560 MKMJDTPQNWOOHT-NSHDSACASA-N 324.402 1.020 10 10 DDCE CCNC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1483609086 XUEXMWPMYNVSNR-CYBMUJFWSA-N 303.366 1.967 10 10 DDCE CCN(CC)C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1544833912 UINBDTDYNDOTQZ-AWEZNQCLSA-N 306.406 1.831 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)[C@H](O)C(C)C)cc1C 1662207581 LPXIUQFHOWBSHG-CZUORRHYSA-N 308.422 1.615 10 10 DDCE COc1cccc(CNC(=O)c2ccnc3c2CC(=O)N3)c1O 1595800290 RZDOEPZJSFDWIJ-UHFFFAOYSA-N 313.313 1.220 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN2C(C)=O)c1 157858089 GDLLSSCJEKDPDM-HZMBPMFUSA-N 306.362 1.589 10 10 DDCE CCCS(=O)(=O)Nc1sc2c(c1C(N)=O)CCCC2 1253618649 MMAGVUDXDVKIPM-UHFFFAOYSA-N 302.421 1.878 10 10 DDCE CNCc1ccc(N2CC[C@H](CS(C)(=O)=O)C2)c(F)c1 2143669029 ADKZGFNPKLNSEE-LBPRGKRZSA-N 300.399 1.416 10 10 DDCE CN1[C@@H](CNCc2cc(Cl)ccc2O)CCS1(=O)=O 1967745929 CVIGSMHKEIEMGT-LLVKDONJSA-N 304.799 1.169 10 10 DDCE NC(=O)[C@@](N)(CSc1nccs1)C1(Br)CC1 1995109145 FQJBBQXOHBZQKI-VIFPVBQESA-N 322.253 1.346 10 10 DDCE CCCN(c1ccc(N)cc1)S(=O)(=O)CC(=O)OCC 63115449 AUEKJHBUEAQDHX-UHFFFAOYSA-N 300.380 1.378 10 10 DDCE CN(CCO)CCN(C)c1ccc(CO)cc1Br 691260662 GXUBLYCQJSQMTP-UHFFFAOYSA-N 317.227 1.302 10 10 DDCE CCCS(=O)(=O)C[C@H](C)NCc1cc(OC)ccc1O 2170592832 YBKJBFRRBPFWRV-NSHDSACASA-N 301.408 1.704 10 10 DDCE NCc1nn(Cc2cccc(F)c2O)c(C(F)(F)F)c1N 2079183095 KLSYMATYCQUOID-UHFFFAOYSA-N 304.247 1.836 10 10 DDCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1Br 2043185563 XBNRLGMKWDCSGI-LSJOCFKGSA-N 316.195 1.434 10 10 DDCE CC(C)(C)OC(=O)NCC1(COc2nnc(=N)[nH]n2)CCCC1 2210652882 BGDPIJGAXJWKAV-UHFFFAOYSA-N 324.385 1.143 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CC=C[C@H](O)C3)c(Br)cc21 2108777784 ABIQTKIPYDLPCR-JVXZTZIISA-N 324.178 1.138 10 10 DDCE CC(C)(C)OC(=O)NCCCN(CCO)Cc1ccc(N)cc1 2243224960 XTWMFROAFZKWDE-UHFFFAOYSA-N 323.437 1.978 10 10 DDCE CCCNc1cc(=NCc2cnc(SC)s2)[nH]c(=N)[nH]1 2284714534 TZHKEIVXFKDTFQ-UHFFFAOYSA-N 310.452 1.923 10 10 DDCE CSc1ncc(CNS(=O)(=O)CC2CC(O)C2)s1 2256942951 ZEHUXHMFURHRPP-UHFFFAOYSA-N 308.450 1.055 10 10 DDCE CNC(=O)CCN(C)c1ccc(C=CC(=O)OC)cc1[N+](=O)[O-] 2297467714 BYTKNFUCSJYHSF-UHFFFAOYSA-N 321.333 1.353 10 10 DDCE CC[C@@H](C)NC(=O)CCNC(=O)C=Cc1ccc(O)c(O)c1 2307986530 GLJUVWUQEUXMIY-LLVKDONJSA-N 306.362 1.532 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@H]3CO)c(Br)c1 2311889167 RYSHWRWOXNTBOE-MJVIPROJSA-N 311.223 1.986 10 10 DDCE CCOC[C@@H](O)CNCc1ccc(C)c(Br)c1O 2327799801 AOBWFFQSLWAWJF-NSHDSACASA-N 318.211 1.950 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCCN[C@@H]2C)s1 2345358173 ZTESHXPNVLPIIG-PRHODGIISA-N 301.437 1.550 10 10 DDCE CO[C@H]1CCC[C@]1(NCc1cnc(SC)s1)C(=O)O 2347362235 OGOUTZREYXGDBU-JOYOIKCWSA-N 302.421 1.977 10 10 DDCE CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(C)C)cc1C 115279379 NMXQQZNMZLOPAR-HNNXBMFYSA-N 321.446 1.599 10 10 DDCE Cc1cc(=O)[nH]c(SCCC(=O)Nc2ccc(N)cc2)n1 20011956 CFYRGGZZJLZRDP-UHFFFAOYSA-N 304.375 1.781 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCC(n3cncn3)CC2)c1 170914257 RVVMDDUMPPSLDZ-UHFFFAOYSA-N 303.322 1.729 10 10 DDCE COc1ccc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)c(O)c1 122501749 MRAVACWXXFZCNK-MRXNPFEDSA-N 317.389 1.807 10 10 DDCE COCCN1CCN(Cc2cc(Cl)cc(C)c2O)CC1=O 181574025 LMBHNLZVFDAITM-UHFFFAOYSA-N 312.797 1.645 10 10 DDCE COc1cc(Cl)cc(CNCCN2CCN(C)CC2)c1O 229051040 CYZXIKFPRMFWRJ-UHFFFAOYSA-N 313.829 1.391 10 10 DDCE C[C@@H](NC(=O)c1ccco1)C(=O)NCCc1ccc(O)c(O)c1 98074629 BZSPRHNGXCMEIN-SNVBAGLBSA-N 318.329 1.168 10 10 DDCE COc1nnc(NC(=O)NCc2ccc(N(C)C)cc2)s1 276589835 WCZCUWBQANIPNF-UHFFFAOYSA-N 307.379 1.934 10 10 DDCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])C(C)(C)S(C)(=O)=O 2166710933 RRSQHYXLVVYVDL-SECBINFHSA-N 306.388 1.031 10 10 DDCE Oc1ccc(Br)cc1CN1C[C@H]2COC[C@@H](C1)O2 802656483 MJFXKDSOIWRMIK-TXEJJXNPSA-N 314.179 1.754 10 10 DDCE CC1(O)CC(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 822613485 KEXUQQPMCWMHPI-UHFFFAOYSA-N 322.380 1.440 10 10 DDCE Nc1ccc(OCCON2C(=O)COc3cc(N)ccc32)cc1 821298396 CDKCFWAAXGWZNE-UHFFFAOYSA-N 315.329 1.587 10 10 DDCE COC[C@@]1(C)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 828460849 CLUDOIHPFODVEG-HNNXBMFYSA-N 321.333 1.789 10 10 DDCE CCON(C)C(=O)CNC1CCN(c2ccc(OC)cc2)CC1 846066527 ZOVGGJHMZGAIDY-UHFFFAOYSA-N 321.421 1.664 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc([C@@]2(N)C[C@@H]2C(=O)O)c1O 1952996155 NCJCQYWMZMCJKW-PSLIRLAXSA-N 308.334 1.998 10 10 DDCE C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1CN 923496108 GRMPCIZRDCZEMW-GOEBONIOSA-N 318.465 1.286 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3CCCO3)C2)cc1 855233425 YLCRTWGSSVBXCO-CJNGLKHVSA-N 304.390 1.959 10 10 DDCE O=C1N[C@H](CF)C(=O)N1Cc1ccc(N2CCC(O)CC2)cc1 853089657 RPPIDMRINFVIRM-CQSZACIVSA-N 321.352 1.038 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CC[C@H]3O)C2)cc1 854298185 XVMUSYCWVIJXDF-NILFDRSVSA-N 305.378 1.096 10 10 DDCE CC[C@H](NC[C@@]1(OCCO)CCOC1)c1ccc(F)cc1O 850509876 UQLWAIWGPPINBY-HOCLYGCPSA-N 313.369 1.740 10 10 DDCE C[C@@H](C(=O)NCc1ccc2cccnc2c1O)[C@H]1CCC(=O)N1 862025562 XONYEZNMAOLFQP-ZWNOBZJWSA-N 313.357 1.471 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@](C)(O)C(C)C)CC2)cc1 770211261 BFIPDBHNFQPLAW-QGZVFWFLSA-N 306.406 1.751 10 10 DDCE COC(=O)NCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1124549292 HBESGKHBOPBQDL-UHFFFAOYSA-N 319.405 1.991 10 10 DDCE C[C@@H](NC(=O)NC[C@@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 1226647262 SIHAPENYONJMJB-NEPJUHHUSA-N 304.394 1.249 10 10 DDCE C[C@H](NC(=O)c1cnc2sccn2c1=O)c1ccccc1O 1302532566 JHRDUQXQIRJNKL-VIFPVBQESA-N 315.354 1.953 10 10 DDCE Cn1cccc(C(=O)Nc2c(Cl)ccc3nonc23)c1=O 1325344612 GONKIRMPCWNQHH-UHFFFAOYSA-N 304.693 1.827 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N1CCCSCC1 1344703173 QEQGDAQSWXPOJG-UHFFFAOYSA-N 308.403 1.316 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCCN(S(=O)(=O)C2CCOCC2)C1 1912176120 VDXNGMSFKCWBFQ-LLVKDONJSA-N 302.400 1.908 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 1912191759 VUKKVBXRVODCKK-GHMZBOCLSA-N 300.384 1.360 10 10 DDCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1CSC1 1479030577 LMCNRKLPOWPSGC-UHFFFAOYSA-N 321.446 1.562 10 10 DDCE COc1cccc(CNC(=O)c2cc([N+](=O)[O-])cc(C)n2)c1O 1636061827 YMLHZNGUXHQKDV-UHFFFAOYSA-N 317.301 1.942 10 10 DDCE CNc1ccc(C(=O)NCc2cc(O)ccc2O)cc1[N+](=O)[O-] 1651222445 GALVZWUSCFUSMH-UHFFFAOYSA-N 317.301 1.978 10 10 DDCE CN(C)c1ccc(CNCCC(=O)N2CCCNCC2)cc1 1857863222 SAVNSUIFLMEMFY-UHFFFAOYSA-N 304.438 1.054 10 10 DDCE Oc1c(Br)cccc1CNC[C@@H]1COC[C@H]1O 1948501016 IOQNKJRZOPRIFA-MWLCHTKSSA-N 302.168 1.252 10 10 DDCE COc1cccc(CN=c2cc(Br)n(C)[nH]2)c1O 2038251548 VWCDLJBLVFOUEB-UHFFFAOYSA-N 312.167 1.931 10 10 DDCE CS(=O)(=O)N[C@@H]1CCCN(c2ccc(CN)cc2Cl)C1 702985656 SSOIBJZZRUTQEE-LLVKDONJSA-N 317.842 1.317 10 10 DDCE CN(Cc1ncnn1C)c1ccc(CN)cc1Br 707602739 GUICSDPMLFFLMH-UHFFFAOYSA-N 310.199 1.673 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCCC[C@H]3CCCCO3)c2n1 2063461556 RZAHOTDWBPNVFJ-GFCCVEGCSA-N 318.377 1.822 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1c1ccc2c(c1)CC[C@H]2O 2184743507 KTJGOKITJUASFT-KGLIPLIRSA-N 313.444 1.590 10 10 DDCE OCCO[C@@H]1CCN(c2ccc(CO)c(Br)c2)C1 2046684286 VRXZPEXZMOSECS-GFCCVEGCSA-N 316.195 1.529 10 10 DDCE CO[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H]1N 2058770049 ZWTUQKPFTWMYPO-GHMZBOCLSA-N 319.174 1.452 10 10 DDCE N=c1[nH]c(OCCc2ccc(N)cc2)ncc1Br 2080399436 QGNPRSGZMGRYBD-UHFFFAOYSA-N 309.167 1.855 10 10 DDCE C[C@@]1(CNCc2cc(Br)cc(F)c2O)CC(=O)N1 2085316864 WQVQZYPTKICGSN-LBPRGKRZSA-N 317.158 1.662 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)C[C@H](C)O[C@H]2C)s1 2345721855 VINFOSGWOMZBAJ-YVZVNANGSA-N 302.421 1.975 10 10 DDCE Cc1cc(C(=O)NCCNC(N)=O)c(C)n1-c1ccc(F)cc1 118657616 URUTUXQMXOSSEY-UHFFFAOYSA-N 318.352 1.631 10 10 DDCE CCN1CC[C@H](CNCc2ccc(N3CCOCC3)cc2)C1 124163855 ADHJQJBXOCTBQJ-QGZVFWFLSA-N 303.450 1.955 10 10 DDCE C[C@H](CO)[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 77787234 RPFIBAHLFMJJAD-KGLIPLIRSA-N 321.421 1.339 10 10 DDCE CN1CCCc2cc(/C=C\C(=O)NCCCC(N)=O)ccc21 96187991 JAFIBSREYRVGSI-CLFYSBASSA-N 301.390 1.464 10 10 DDCE Nc1ccc(CNS(=O)(=O)c2csc(C(=O)O)c2)cc1 2162462360 UIMWVDWTJWEKLV-UHFFFAOYSA-N 312.372 1.507 10 10 DDCE CC(=O)C(=O)COC(=O)CCSc1ccc2c(c1)OCCO2 808519995 IIKOVJRVDVVLFA-UHFFFAOYSA-N 324.354 1.641 10 10 DDCE COc1ccc(CNC(=O)CO[C@H](C)c2nccn2C)c(O)c1 807454332 NYCDINTWZLOIAK-LLVKDONJSA-N 319.361 1.528 10 10 DDCE O[C@H](CNc1ccccc1OCC1CC1)CN1CCOCC1 819451187 LMHHGAHHYSRNDM-OAHLLOKOSA-N 306.406 1.580 10 10 DDCE O=C1c2ccc(Oc3ccccc3[N+](=O)[O-])cc2C(=O)C1(O)O 725240119 MJGLBLHCZIVFCO-UHFFFAOYSA-N 315.237 1.447 10 10 DDCE Cn1cc(CCC(=O)NCCCSc2nccs2)nn1 827475225 VSBDBNCZELLBAJ-UHFFFAOYSA-N 311.436 1.503 10 10 DDCE CN(C)c1ccc(/C=C\CNCCCn2cc(CO)nn2)cc1 835052592 HLWLOHKRLWBONR-HYXAFXHYSA-N 315.421 1.530 10 10 DDCE CC(=O)NC[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 835028081 JFFOOGFTXKHIHV-XDXAGZTOSA-N 317.433 1.603 10 10 DDCE C[C@H]1CNCC[C@H]1NCc1ccc(N2CCN(C)CC2)cc1 841065250 ZLDWBWYCDXPNEU-MAUKXSAKSA-N 302.466 1.526 10 10 DDCE C[C@@H](C(=O)N(CC(=O)O)Cc1ccccc1O)[C@@H]1CCCO1 911490236 YMXXLUQQILLNSS-RISCZKNCSA-N 307.346 1.621 10 10 DDCE CN1C[C@@H](c2c(O)cccc2NC(=O)OC(C)(C)C)NCC1=O 1952884663 UBMHEALRQDKAFT-NSHDSACASA-N 321.377 1.842 10 10 DDCE CCc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)no1 740489928 BRQMVMKMFFQGHR-UHFFFAOYSA-N 316.361 1.558 10 10 DDCE COc1ccc(N2CC[C@H](N[C@H](C)C[C@H]3CCC(=O)N3)C2)cc1 926679404 DQGSKCHRWTUQML-KFWWJZLASA-N 317.433 1.921 10 10 DDCE C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1[C@H]2CN[C@H]1C2 925718677 ZALQGAATVZCVPR-OYYCAODRSA-N 315.461 1.734 10 10 DDCE Nc1ccc(NC(=O)N2CCC([C@H]3COC(=O)N3)CC2)cc1 926142031 HYWOZEIIWFNQLX-CYBMUJFWSA-N 304.350 1.621 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn2cccnc2n1 753639747 BELCIJMCBNDFRG-JTQLQIEISA-N 312.329 1.502 10 10 DDCE CCOc1ccc(O)c(CN2CC[C@](OC)(C(=O)OC)C2)c1 862474253 OYKPQKMNTHTAIY-MRXNPFEDSA-N 309.362 1.555 10 10 DDCE CCOC(=O)[C@@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O 761576116 LUIGMUVGLYPBRM-ZWNOBZJWSA-N 319.361 1.297 10 10 DDCE CCN(CC(=O)OC)Cc1ccc(N2CCOCC2)c(F)c1 769316599 JYPMUHXRTFCCKZ-UHFFFAOYSA-N 310.369 1.657 10 10 DDCE COC(=O)C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2O)C1 892527576 RYKVSQCJSSODFG-YPMHNXCESA-N 306.362 1.923 10 10 DDCE CNC(=O)C1(NCc2ccc(N(C)C)cc2C)CCOCC1 895885083 ROQDJMYGVBTUKQ-UHFFFAOYSA-N 305.422 1.446 10 10 DDCE COCC(C)(C)CCNS(=O)(=O)Cc1ccc(N)cc1 718985289 ZUFODTFEKGZXHJ-UHFFFAOYSA-N 300.424 1.751 10 10 DDCE COCCCNC(=O)NCc1cc(Br)ccc1O 794803229 FQMVFAWWZKLIOO-UHFFFAOYSA-N 317.183 1.990 10 10 DDCE CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C)cnc1N 790409271 MLIFXKGLEIGFKW-UHFFFAOYSA-N 323.374 1.877 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1cccn2nnnc12 1142731212 PCCHIMMHECLIIB-UHFFFAOYSA-N 320.312 1.308 10 10 DDCE Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1c(O)cccc1O 1178912903 YJXIXAVNAJGOPC-UHFFFAOYSA-N 320.305 1.217 10 10 DDCE CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1cccc(O)c1O 1455615842 SSBUBCXCFOITRN-JQWIXIFHSA-N 323.345 1.328 10 10 DDCE CCC(=O)NC[C@H](CC)NC(=O)c1ccc(N=NC(N)=O)cc1 1531038240 HWCOPTZGXPXVBJ-NSHDSACASA-N 319.365 1.884 10 10 DDCE CCNC(=O)CN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 1542178929 OPKAOXSZTQNSBU-UHFFFAOYSA-N 305.338 1.447 10 10 DDCE CC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 1624677902 PKSVBXQNJQPULP-HNNXBMFYSA-N 313.353 1.957 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nnn(C(C)(C)C)n1 1623573889 HRKMXCONSFYXLV-UHFFFAOYSA-N 324.381 1.549 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cc2n(n1)CCC[C@@H]2O 1622753157 JDSGNHDKHYXDGT-ZDUSSCGKSA-N 317.345 1.094 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc(-n2cnnc2)cc1 1635847097 HMZNTEPLNFUFNY-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE COC(=O)NCCC(=O)NCc1c(O)ccc2ccccc12 1647790996 FRTFMCNJKPMIDI-UHFFFAOYSA-N 302.330 1.908 10 10 DDCE COC(=O)c1cc(C(=O)NCc2cc(O)ccc2O)c(C)o1 1651225296 DMFOPZJINUTKQX-UHFFFAOYSA-N 305.286 1.716 10 10 DDCE CCO/C=C/C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1589195586 VDUKLDBTLHANEB-MDWZMJQESA-N 303.406 1.605 10 10 DDCE CN1CCC2(CCCN2C(=O)Cc2ccc(O)c(O)c2)CC1 1596460709 AMBCRZYWPNCIHY-UHFFFAOYSA-N 304.390 1.727 10 10 DDCE COc1ccc(N2CCN([C@H]3CNC[C@@H]3SC)CC2)cc1 164503119 LDGZTJJTWGAWLE-HOTGVXAUSA-N 307.463 1.521 10 10 DDCE C[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)NCc1ccccc1 153176500 FSFGJEYYLBIYGD-CYBMUJFWSA-N 311.385 1.632 10 10 DDCE Nc1ccc(-n2nnc(C(=O)Nc3cccc(Cl)n3)n2)cc1 1857878561 HGJPJTJQRGTZMM-UHFFFAOYSA-N 315.724 1.545 10 10 DDCE C[C@H]1C[C@H](CNCc2cccc(F)c2O)CCS1(=O)=O 1966092021 ZEIGGFDCGKEOQF-WDEREUQCSA-N 301.383 1.834 10 10 DDCE CN([C@@H]1CCN(c2ccc(CN)c(Cl)c2)C1)S(C)(=O)=O 2146921137 XGWSBKLWWSTEAP-GFCCVEGCSA-N 317.842 1.269 10 10 DDCE C[C@@H]1CN(c2ccc(CN)c(Cl)c2)C[C@@H](C)S1(=O)=O 400837726 IULYNGJIZNXNNP-NXEZZACHSA-N 302.827 1.811 10 10 DDCE O=S1(=O)CC(NCc2cc(Br)cc(F)c2O)C1 715825911 GUHPXUHZGAYUBY-UHFFFAOYSA-N 324.171 1.180 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCc4ncccc4C3)c2n1 2062137551 ZEBYZZBCTJWIKG-LBPRGKRZSA-N 323.356 1.426 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCOC4(CCCC4)C3)c2n1 2064700459 QMORNDHXRLVEOV-UHFFFAOYSA-N 316.361 1.529 10 10 DDCE CNCc1cn(Cc2ccc(Br)cc2O)nc1O 2070696777 JDZIAHHLUKSCDK-UHFFFAOYSA-N 312.167 1.825 10 10 DDCE CN[C@](CSc1nccs1)(C(=O)OC)C1CCOCC1 2208169802 OTGFDLHMKJTAAS-ZDUSSCGKSA-N 316.448 1.793 10 10 DDCE COc1ccc(Br)c(CN(C)C[C@@H]2CCN2)c1O 2220464412 ODOLIWAJIQSAOG-VIFPVBQESA-N 315.211 1.957 10 10 DDCE CS(=O)(=O)C1(CSCC(=O)c2ccc(O)c(O)c2)CC1 2237874249 FISHOBOKFXNRHI-UHFFFAOYSA-N 316.400 1.591 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H]2[C@H](O)CO)c(Br)c1 2258340087 NCIYCWBEXCVWON-AQUOVQTQSA-N 315.211 1.401 10 10 DDCE Oc1c(Br)cccc1CN[C@H]1COC2(COC2)C1 2258421201 JEOZGVITNOTARO-SNVBAGLBSA-N 314.179 1.802 10 10 DDCE CCOc1ccc(O)c(CN2CCN(c3cccnn3)CC2)c1 127995713 ZAWUCZVDMGSIIF-UHFFFAOYSA-N 314.389 1.903 10 10 DDCE CS(=O)(=O)c1ccc(C(=O)NCc2ccc(N)cc2)cc1 37666218 HDAKMSLKLGSNIA-UHFFFAOYSA-N 304.371 1.602 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]32)c1O 188650850 VPPXVBFDGXIDOJ-BZPMIXESSA-N 306.362 1.768 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)c1ccc(N)nc1 70302794 PBMZFWVUSQHMDC-JTQLQIEISA-N 307.375 1.751 10 10 DDCE CCCO[C@@H]1CCCN(S(=O)(=O)Cc2ccc(N)cc2)C1 40501093 SXWAMFFIIRKMOP-OAHLLOKOSA-N 312.435 1.990 10 10 DDCE Cc1cc(CS(=O)(=O)Nc2ccc(O)cc2C(=O)O)no1 48847223 MDUBMRMUAGZYRL-UHFFFAOYSA-N 312.303 1.329 10 10 DDCE COC(=O)[C@H]1C[C@@H](OC)CN1Cc1c(O)ccc(Cl)c1F 191358058 JEZVMCFXCJQYQV-LDYMZIIASA-N 317.744 1.947 10 10 DDCE CCCN(CCC)c1ccc(CN2CCO[C@H](C(N)=O)C2)cc1 92735641 RZPOGXHPLODLPH-KRWDZBQOSA-N 319.449 1.999 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 249119237 SXMXFOJUJPRTPC-KMBMKTKISA-N 320.345 1.988 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)N[C@H](C)Cn2cncn2)c1 273596393 QSOQZXIZPSKNMT-GHMZBOCLSA-N 304.350 1.510 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCOC[C@H]1CC(F)F 804723165 SHKRXQZTLLRGJU-JRBALWBOSA-N 313.300 1.994 10 10 DDCE O=C1Nc2cc(N3CCS[C@@H](CO)C3)c(Cl)cc2[C@H]1O 720037962 OGNPLGAGKMBKBQ-JMCQJSRRSA-N 314.794 1.240 10 10 DDCE OCC[C@H]1COCCN1Cc1ccc(N2CCOCC2)cc1 809765313 MMUVDGHAQLPMGH-KRWDZBQOSA-N 306.406 1.106 10 10 DDCE CN1CCN(C[C@@H](O)CNc2ccccc2OCC2CC2)CC1 819452450 SKGUDYVCAOIKQO-INIZCTEOSA-N 319.449 1.496 10 10 DDCE CN1CCN(c2ccc(CNCC3=CCOCC3)cc2)CC1 824597526 SUAXGAZXPWDONB-UHFFFAOYSA-N 301.434 1.875 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCN3CCOC[C@@H]3C2)cc1 835048760 XXXOILRPBXIHKK-WHLIDYPQSA-N 301.434 1.782 10 10 DDCE Cc1cc(Cl)cc(CN(C)CC(=O)N2CCNCC2)c1O 843044544 HTKCEZUIRYUNFU-UHFFFAOYSA-N 311.813 1.218 10 10 DDCE COCCNC(=S)N[C@H]1CCN(c2ccc(OC)cc2)C1 849271732 SGSLVCGQDPMPLI-LBPRGKRZSA-N 309.435 1.384 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](CN)[C@@H](c2ccc(O)c(O)c2O)C1 687812237 OMYSPYAUFPFTIX-ONGXEEELSA-N 324.377 1.713 10 10 DDCE CC(=O)N1CCN(c2ccc(OC[C@@H](O)C3CC3)cc2)CC1 840753213 OEMZNDPJMQGFTH-QGZVFWFLSA-N 304.390 1.505 10 10 DDCE Cc1cncn1CC(=O)NCc1ccc(N2CCOCC2)cc1 858723829 CRSUPWWACGQQRN-UHFFFAOYSA-N 314.389 1.345 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCC(=O)N1C 935943618 BMLSSARJKSRYJK-NSHDSACASA-N 311.378 1.505 10 10 DDCE O=C1CCC2=C(CCN(Cc3cc4c(cc3O)OC[C@H]4O)C2)N1 853519643 GZSKUFZDIYBJEZ-OAHLLOKOSA-N 316.357 1.188 10 10 DDCE Cn1nncc1CC(=O)NCc1cc(Cl)cc(Cl)c1O 854474369 KDPOEAVDFBNZGE-UHFFFAOYSA-N 315.160 1.686 10 10 DDCE CC[C@]1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCCN1 852901019 YJPSAJWHAWFFBG-KBXCAEBGSA-N 317.433 1.922 10 10 DDCE C[C@@H]1C[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)[C@@H](C)O1 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O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc(O)cc1O 1626838126 NWHJHPGRFIDKND-UHFFFAOYSA-N 302.286 1.865 10 10 DDCE O=C(C[C@H]1CC(=O)N1)Nc1c(-c2ccccn2)nc2ccccn12 1625656378 AEXXRGRZFQHQNE-LLVKDONJSA-N 321.340 1.613 10 10 DDCE COC(=O)CC[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1633717500 ZYPVBQOGUKSYET-LBPRGKRZSA-N 321.373 1.832 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2cccc3ncnn23)c1 1636061275 LQTXBAIUKNOEHB-JTQLQIEISA-N 312.329 1.935 10 10 DDCE CCN1CC[C@](O)(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1569764433 AHSHJTJGWRTKGR-HNNXBMFYSA-N 319.365 1.036 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)CCC(N)=O)c([N+](=O)[O-])c1 1773123335 ROCUAXAIAMTAPA-XQRVVYSFSA-N 307.306 1.093 10 10 DDCE CSCC[C@H](C)N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 161253499 HSQGYUHBEWMHPG-JQWIXIFHSA-N 312.435 1.568 10 10 DDCE O=C(N=c1[nH][nH]c2cccc(F)c12)c1cc(O)c(O)c(O)c1 1865876341 FAVDZCUJTKGOKR-UHFFFAOYSA-N 303.249 1.493 10 10 DDCE CN1CCc2cc(NC(=O)c3cccc(O)c3O)ccc2C1=O 1148219101 SLHBQHDLJQRFOJ-UHFFFAOYSA-N 312.325 1.978 10 10 DDCE OCCCOCCNCc1cccc(Br)c1O 1323982498 YOQRPSUNNBNBNR-UHFFFAOYSA-N 304.184 1.643 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(Cc2ccc(N)cc2)C1 1980081921 SNZOBPYPPOIXDL-CABCVRRESA-N 321.421 1.729 10 10 DDCE NCc1ccc(N2C[C@H](O)[C@@H]3COC[C@@H]32)cc1Br 2040600894 RSSKIKKQDQXBLW-WXHSDQCUSA-N 313.195 1.104 10 10 DDCE CS(=O)(=O)C[C@@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2177389820 HLNGGHPZJNFMDD-SECBINFHSA-N 320.817 1.809 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](C(F)(F)F)C2)cc1 380217108 ISRNDWJRNWUACA-SNVBAGLBSA-N 308.325 1.983 10 10 DDCE O=C(NCc1ccccc1O)C1([C@]2(O)CCCNC2)CCC1 2063621526 UOCOMDCOCYKRTM-KRWDZBQOSA-N 304.390 1.293 10 10 DDCE CN(C[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21)c1ccc(CN)c(Cl)c1 2174638600 IUHLDUPDHNJIGO-CLLJXQQHSA-N 314.838 1.526 10 10 DDCE C[C@](F)(CNS(=O)(=O)Cc1ccc(N)cc1)C(F)(F)F 2191861797 GZLYZFANFBEVNC-JTQLQIEISA-N 314.304 1.979 10 10 DDCE CO[C@@H]1C[C@@H](NCc2ccc(Br)cc2O)C[C@@H]1O 2067186203 ZQXBXZMJEMCZEA-WCFLWFBJSA-N 316.195 1.783 10 10 DDCE N[C@H]1CC(CN2CCc3c(Br)cccc32)=C[C@H]1O 2067770916 YCWZBCRZJCQFET-GXTWGEPZSA-N 309.207 1.830 10 10 DDCE O=S1(=O)CC[C@H]2CN(Cc3cc(Cl)ccc3O)C[C@@H]21 2088814683 KQDFHKBGENNALT-ZANVPECISA-N 301.795 1.665 10 10 DDCE CC[C@@H](C)NCc1cnc(Sc2nc(N)cc(=N)[nH]2)s1 2239994395 IRHNSTAZIAGAQV-SSDOTTSWSA-N 310.452 1.967 10 10 DDCE COc1cc(N2CCOCC2)ccc1C=C1SC(=O)NC1=O 2294395197 QXGWRLJIINCEOF-UHFFFAOYSA-N 320.370 1.856 10 10 DDCE COc1ccc(N2N=C(C)C(=C(C)NCCCO)C2=O)cc1 2294474355 HRWYCFOZQNGZMP-UHFFFAOYSA-N 303.362 1.664 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H]3C(C(=O)O)[C@H]3C2)s1 2284544003 LAVJUGDHNDJBAU-YUMQZZPRSA-N 313.404 1.337 10 10 DDCE CC[C@H](C)NC(=O)CCNC(=O)C=Cc1ccc(O)c(O)c1 2307986531 GLJUVWUQEUXMIY-NSHDSACASA-N 306.362 1.532 10 10 DDCE CCN(C)C[C@@H]1CCN(C(=O)C=Cc2ccc(O)c(O)c2)C1 2307987981 WCAUISDJWJELRP-AWEZNQCLSA-N 304.390 1.911 10 10 DDCE Cc1ccc(CN(C)C(=O)[C@H]2C[C@H]2N)c(O)c1Br 2327600552 VKSSSPCIMAXDIX-VHSXEESVSA-N 313.195 1.769 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCOC[C@H]2F)s1 2350652707 NIONNDOXTAPDCZ-KCJUWKMLSA-N 306.384 1.536 10 10 DDCE Cn1cc(OC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cn1 179921825 OMHWLGMKQFELJL-QPJJXVBHSA-N 313.357 1.876 10 10 DDCE O=S(=O)(NCc1ccc(N2CCCC2)cc1)C1CCOCC1 171418653 XUPMGURELLKASE-UHFFFAOYSA-N 324.446 1.885 10 10 DDCE CC[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H](C)O1 301694147 OYDKTMDQLFXFTR-VHSXEESVSA-N 321.333 1.929 10 10 DDCE C[C@H](CS(C)(=O)=O)N(C)Cc1cc([N+](=O)[O-])ccc1O 173383407 NPXZBAQJCOKROQ-SECBINFHSA-N 302.352 1.165 10 10 DDCE COc1cccc(CNS(=O)(=O)Cc2ccc(N)cc2)c1 38077924 XBSNFMTUGAOMME-UHFFFAOYSA-N 306.387 1.897 10 10 DDCE CCc1n[nH]c([C@@H]2CN(Cc3cc(F)ccc3O)CCO2)n1 183262029 AYVJERIYLDGUGT-ZDUSSCGKSA-N 306.341 1.785 10 10 DDCE Nc1ccc(CS(=O)(=O)NCCc2ccc(O)cc2)cc1 40734832 CGBYRRWCTQLHCF-UHFFFAOYSA-N 306.387 1.637 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NCc1cc2c(cc1O)OCO2 227561914 SCYTURGSOCZNCC-QWRGUYRKSA-N 322.361 1.876 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCCN(C)C(=O)C2)c1O 191101601 DDWXDGBQHWZWJO-UHFFFAOYSA-N 310.781 1.912 10 10 DDCE CC(=O)N1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 268610368 KSXXJMGPCAFROH-CYBMUJFWSA-N 318.421 1.515 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1O 368963249 ADEQFUFNNQWBOV-XEGUGMAKSA-N 320.364 1.820 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCN(C(C)=O)C[C@H]2C)c1O 278205122 JOTIYDZGTGHOOV-SNVBAGLBSA-N 323.349 1.362 10 10 DDCE CCN(c1ccc(CN)cc1Cl)[C@H]1CCS(=O)(=O)C1 387316450 BRIRCSCZUJKJHA-NSHDSACASA-N 302.827 1.812 10 10 DDCE CC1([C@H]2CCCCN2CC(=O)c2ccc(O)c(O)c2)OCCO1 2165110886 WAEOLKDYAHCRRX-MRXNPFEDSA-N 321.373 1.898 10 10 DDCE COc1ccc(C[C@H](C)C(=O)OCC(=O)C(C)=O)cc1OC 808535247 DFVQMFLYBBRELE-JTQLQIEISA-N 308.330 1.584 10 10 DDCE Cc1ccc(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)c(O)c1O 801263952 WPSWGMRQUDUTPH-LBPRGKRZSA-N 305.330 1.226 10 10 DDCE Cn1nc2c(c1CNC(=O)c1cccc(O)c1O)CCCC2 812613476 KGKXOGPFAMGHKM-UHFFFAOYSA-N 301.346 1.640 10 10 DDCE OC1CCN(c2ccc(CNC[C@H](O)C3CC3)cc2F)CC1 819120828 FVPQJEMCJAGNAW-KRWDZBQOSA-N 308.397 1.647 10 10 DDCE COC(=O)/C=C/c1ccc(N2CN(C)C(=O)[C@@H]2C)c([N+](=O)[O-])c1 826798146 PIZVSNZIRHKETH-STUBTGCMSA-N 319.317 1.405 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@H](C(=O)O)[C@@H]2CCOC2)cc1 901801638 SFPAADKXHGJNBX-PUFASFLSSA-N 304.390 1.845 10 10 DDCE CN(C)c1ccc(/C=C\CNCC(=O)N2CCOCC2)cc1 835043491 VWRZHCMQZIFWIR-ARJAWSKDSA-N 303.406 1.214 10 10 DDCE C[C@]1(F)CNCCN(Cc2ccc(N3CCOCC3)cc2)C1 843125229 OMLOGOUFTYCBER-KRWDZBQOSA-N 307.413 1.657 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cnc(C)[nH]3)C2)cc1 855231422 MFHXUJMTWGPTIS-LBPRGKRZSA-N 300.362 1.735 10 10 DDCE COC(=O)C1=CC[C@@H](NCc2cc(OC)c(OC)cc2O)C1 862466182 OMOGRIDAHCSBAM-GFCCVEGCSA-N 307.346 1.761 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 860129750 ZPNFWNVJBXIWPL-YXJHDRRASA-N 317.433 1.214 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CS(=O)(=O)C(C)C 935946443 HNBSAKMNDQWJLL-UHFFFAOYSA-N 320.407 1.317 10 10 DDCE O=S(=O)(CCOCC1CCC1)N1Cc2cccc(O)c2C1 867691424 WESLZTFAKLLFLX-UHFFFAOYSA-N 311.403 1.854 10 10 DDCE COC(=O)c1cnc(SC[C@@H](O)C[C@@](C)(O)C2CC2)s1 871981238 OUQQXTZQOXXXKQ-TVQRCGJNSA-N 317.432 1.934 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1C[C@H]1C 1117084311 LTPQJPRQEHPWRO-HIFRSBDPSA-N 317.433 1.873 10 10 DDCE C[C@@]12CN(Cc3cc(F)cc(F)c3O)C[C@]1(C)C(=O)NC2=O 895418344 MVQAGHQPTKIBAK-GASCZTMLSA-N 310.300 1.155 10 10 DDCE C[C@@H]1OCC[C@@]12CN(C(=O)Cc1ccc(O)c(O)c1)C[C@@H](C)O2 1139926812 ZXGRHXRDNHWDPJ-BWACUDIHSA-N 321.373 1.435 10 10 DDCE COC(=O)c1ccccc1C(=O)NCc1cccc(O)c1O 1303194678 IZZHXMASGXJDMA-UHFFFAOYSA-N 301.298 1.814 10 10 DDCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCc2ccc(Br)cc21 2134556376 HEYPQHVVDABKEV-LBPRGKRZSA-N 324.182 1.976 10 10 DDCE CO[C@H](C(=O)Nc1c(Cl)ccc2nonc12)[C@H]1CCOC1 1351259615 SBEDAYCNBFQREF-MADCSZMMSA-N 311.725 1.866 10 10 DDCE C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1442742589 ISPKWEJBEJTFED-JTQLQIEISA-N 317.349 1.590 10 10 DDCE COC(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)s1 1469193461 FILADMUCVFPEFX-UHFFFAOYSA-N 321.354 1.805 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cc3n(n2)CCC[C@H]3O)cc1 1539049436 HKXJQLIFSNGDGL-MRXNPFEDSA-N 314.389 1.706 10 10 DDCE NC(=O)C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1625668737 REUMNUZUQYNQEZ-VIFPVBQESA-N 303.322 1.187 10 10 DDCE COC(=O)Cc1occc1C(=O)NCc1ccc(O)cc1O 1557084902 SHGXHYZPJXLQTL-UHFFFAOYSA-N 305.286 1.336 10 10 DDCE O=C(NCc1ccccc1O)[C@H](O)c1cccc([N+](=O)[O-])c1 1622772894 MWOJRODSOVGWCO-CQSZACIVSA-N 302.286 1.650 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@@H](CO)[C@H](CCO)C2)c1O 1560231271 PXPCOXPGTODSJJ-YPMHNXCESA-N 311.353 1.157 10 10 DDCE Cc1cn2nc(C(=O)N[C@@H](C)c3ccccc3O)cc2c(=O)[nH]1 1635803587 GXABCDNKLJJJFK-JTQLQIEISA-N 312.329 1.528 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2nc[nH]n2)cc1C 1774041717 KZUMCNQRBHPWMA-LLVKDONJSA-N 303.366 1.030 10 10 DDCE CCCC(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169892804 LPLNYHOUXBKZMQ-UHFFFAOYSA-N 322.361 1.324 10 10 DDCE CCNCc1ccc(N2C[C@@H](O)C[C@@H]2CN(C)C)c(Cl)c1 164130805 KHQYGFKDCPPRTF-KGLIPLIRSA-N 311.857 1.951 10 10 DDCE CC(C)(C)OC(=O)NCCN1CCN(c2ccc(N)cc2)CC1 168616714 JEILNCWTUPVTFA-UHFFFAOYSA-N 320.437 1.916 10 10 DDCE CN(C)c1nc(=Nc2cc(Cl)ccc2O)nc(N(C)C)[nH]1 1871732476 KFTZVIIJDKQEQC-UHFFFAOYSA-N 308.773 1.528 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn2ccncc12 1119965510 GTHUOABLXARKIH-UHFFFAOYSA-N 317.345 1.851 10 10 DDCE N[C@@H]1COCCN(Cc2ccc(Br)cc2O)C1 1946791132 CQGIHPXGDJMTFF-NSHDSACASA-N 301.184 1.314 10 10 DDCE C[C@H](NCc1ccc(F)cc1O)C1CCS(=O)(=O)CC1 1962967906 QKEOLIYUKZJKSW-JTQLQIEISA-N 301.383 1.834 10 10 DDCE COc1ccc(O)c(CN(C)CCS(=O)(=O)C(C)C)c1 1971965341 APAHRSPCHUITAS-UHFFFAOYSA-N 301.408 1.656 10 10 DDCE O=S1(=O)C[C@@H]2CC(NCc3ccc(Cl)cc3O)C[C@H]2C1 1974484753 SZFFEAAQYCWZFA-QWRGUYRKSA-N 315.822 1.958 10 10 DDCE CN1CCN(c2ccc(N)cc2)[C@H](CNC(=O)C(F)(F)F)C1 1977933597 FTMXICYVHZBXIG-GFCCVEGCSA-N 316.327 1.068 10 10 DDCE Cn1cc(C(=O)N2CC(N=[N+]=[N-])C2)c(=NC(=O)OC(C)(C)C)[nH]1 1985095510 FPHQWFATCDDDAA-UHFFFAOYSA-N 321.341 1.324 10 10 DDCE CCN(c1ccc([C@H](C)O)c(O)c1)[C@H](C)CS(C)(=O)=O 2170420108 JYMXPKQZCXBNNF-MNOVXSKESA-N 301.408 1.705 10 10 DDCE C[C@@H]1CN(c2cc(Br)c(CN)cc2F)CC(=O)N1 387343625 UIZBGOZMJIDMMX-SSDOTTSWSA-N 316.174 1.372 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H](C(N)=O)C2)cc1Br 723171352 QBHKNTDDAFKTJQ-RKDXNWHRSA-N 312.211 1.780 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@H](C(N)=O)C2)c(Br)c1 723170933 JAXLOPPCAKCKFS-SCZZXKLOSA-N 312.211 1.780 10 10 DDCE C[C@H]1CN(c2c(F)cc([C@@H](C)O)cc2F)CCS1(=O)=O 2194517956 NCLJIIXPPYZNNI-DTWKUNHWSA-N 305.346 1.641 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC[C@H](OC(F)F)C2)cc1 2238852215 NUBJMAYKALKUAZ-NSHDSACASA-N 306.334 1.412 10 10 DDCE CC(C)NCCNCc1cc(Br)c(O)cc1O 2248027941 BXARRXGTFADWQV-UHFFFAOYSA-N 303.200 1.948 10 10 DDCE Cc1cc(N2CC(S(=O)(=O)C(F)F)C2)ccc1[C@@H](C)O 2285171298 JIIRDRKKFWPANO-SECBINFHSA-N 305.346 1.874 10 10 DDCE COc1cc(OC)c(N2CCO[C@@H](CCN)C2)cc1Cl 2285934548 FDVOHCGEXNGRPU-JTQLQIEISA-N 300.786 1.911 10 10 DDCE O=C1C(=Cc2ccccc2)SC(=S)N1CCOCCO 2323767970 UOAZYUFFDKWILZ-UHFFFAOYSA-N 309.412 1.897 10 10 DDCE CNC(=O)[C@H](C)NCc1ccc(C)c(Br)c1O 2307471746 BHBWJTYGXHAEFY-QMMMGPOBSA-N 301.184 1.687 10 10 DDCE Cc1ccc(CNC[C@@H]2COCCO2)c(O)c1Br 2327611274 BHLWGDWVTCNUIA-LLVKDONJSA-N 316.195 1.968 10 10 DDCE COC(=O)NCCNCc1ccc(C)c(Br)c1O 2327796750 MIDLOKYQVDNKLM-UHFFFAOYSA-N 317.183 1.909 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)C[C@H]3COC[C@H]32)s1 2348134336 ZOERJEVBPYOMPG-LPBBDHJYSA-N 300.405 1.444 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)COC3CC2C3)s1 2349506131 VBUVGUXWFVDTMB-TYAJBCFHSA-N 300.405 1.587 10 10 DDCE COc1ccc(N2CCN(C(=O)N[C@H]3CCCO3)CC2)cc1 74753864 MYEDZEGWCLCRDH-OAHLLOKOSA-N 305.378 1.663 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 249975118 BLLBSLXLIWSIQJ-HUBLWGQQSA-N 310.419 1.756 10 10 DDCE CCc1c(C(=O)OCC(=O)C(C)=O)cnn1-c1ccc(F)cc1 808502018 ZQEHUGNPCDBNFK-UHFFFAOYSA-N 318.304 1.889 10 10 DDCE CC(F)(F)[C@@H]1C[C@H]1CS(=O)(=O)NCc1ccc(N)cc1 2164633380 JFHJDWRVFNNNRK-CMPLNLGQSA-N 304.362 1.980 10 10 DDCE CNC(=O)[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 398503934 NDIVAQMZMUUGTO-JTQLQIEISA-N 310.781 1.816 10 10 DDCE C[C@@H](NCCc1nnnn1C)c1cccc(C(F)(F)F)c1O 815590386 UQXALETWMHVEDV-MRVPVSSYSA-N 315.299 1.828 10 10 DDCE CN1CC[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 729281756 CZEUJGALRRIIGE-INIZCTEOSA-N 317.433 1.433 10 10 DDCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](CCF)C(=O)O 908847164 KETVJQNSTVLYQY-CQSZACIVSA-N 323.368 1.899 10 10 DDCE CCOc1cccc(CNC2(c3nn[nH]n3)CCCC2)c1O 735408308 VDVWFGWCUHJWRG-UHFFFAOYSA-N 303.366 1.863 10 10 DDCE O=S(=O)(CCC(F)(F)F)NCc1c(O)cccc1F 921452087 CXUGJBKFHHJRBS-UHFFFAOYSA-N 301.261 1.903 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCc3cc[nH]n3)C2)cc1 852183482 PIXMWHUVXMVNPP-ZDUSSCGKSA-N 315.377 1.496 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cc3cncn3C)C2)cc1 855224169 FFAHTBSRTAQFPN-ZDUSSCGKSA-N 314.389 1.366 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)CS(=O)(=O)N(C)C 752559142 GIVOHJRKTYLICY-UHFFFAOYSA-N 314.407 1.022 10 10 DDCE COc1ccc(O)c(CNC(=O)c2cccn(C3CC3)c2=O)c1 866766924 FCVUQIUUOGOLLG-UHFFFAOYSA-N 314.341 1.827 10 10 DDCE COC(=O)[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 768461536 WGLYPDHPKCTCDG-CQSZACIVSA-N 322.380 1.657 10 10 DDCE COC(=O)c1cc(OCc2ccc(OC)nn2)ccc1N(C)C 865394820 BEWQRBXZCJGZSL-UHFFFAOYSA-N 317.345 1.917 10 10 DDCE O=S1(=O)C=C[C@H](NCc2cccc(Br)c2O)C1 88854139 ZUPIASFJNDEUIJ-VIFPVBQESA-N 318.192 1.555 10 10 DDCE Cc1cc(Br)c(O)c(CN(CCO)CCCO)c1 781911810 NMBKOHNSNJHXAV-UHFFFAOYSA-N 318.211 1.640 10 10 DDCE CO[C@]1(CNCc2c(O)cccc2Cl)CCS(=O)(=O)C1 721269020 WXMCAEFJTHIMIN-ZDUSSCGKSA-N 319.810 1.339 10 10 DDCE c1cc2c(cc1CNC[C@@H]1COC3(CCOCC3)O1)CCO2 1308346271 DXGSZRMLWPHLOH-OAHLLOKOSA-N 305.374 1.633 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2[C@H]3CCC[C@H]32)cc1F 1324530463 ONRAWURQGAGJCF-JJLQDPRZSA-N 319.380 1.423 10 10 DDCE NC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc3cccnc3c2O)C1 1299725931 OSUOCNBJCAFTEI-NEPJUHHUSA-N 313.357 1.458 10 10 DDCE CC(=O)C(=O)[C@]1(O)C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 1919108375 YRYVQSVRPPWXNH-QMABLASFSA-N 311.378 1.684 10 10 DDCE CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCCOC 1481881227 FSYGDNZUDWEMMR-LBPRGKRZSA-N 321.381 1.593 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCc1nnc2ccccn12 1635060401 ULBBGZHBRKEDOS-UHFFFAOYSA-N 312.329 1.042 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)CC(C)C)cc1C 1667783512 DRDZPISDELMMPO-OAHLLOKOSA-N 308.422 1.616 10 10 DDCE CS(=O)(=O)C1CC(CNCc2cccc(Cl)c2O)C1 1877117693 WZTGDDGFRCBRDU-UHFFFAOYSA-N 303.811 1.958 10 10 DDCE C[C@@H]1C[C@@H](CNCc2c(O)cccc2F)CCS1(=O)=O 1966091208 SPUBIUXTFRYNEX-MNOVXSKESA-N 301.383 1.834 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NCc1ccc(O)c(O)c1O 1986712916 ORUOIOSCCZVVHG-WDEREUQCSA-N 324.377 1.949 10 10 DDCE Cn1ncc(Br)c1[C@H](O)[C@H](N)c1ccccc1O 2031163795 YWDXBVWCSWEXME-ZYHUDNBSSA-N 312.167 1.622 10 10 DDCE CN1CCc2cc([C@H](O)c3nn(C)nc3Br)ccc21 2111439696 AMOWNGNXNKTDBY-LBPRGKRZSA-N 323.194 1.652 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)c1nn(C)nc1Br 2214377138 PDLCMUBVKLMCHW-UHFFFAOYSA-N 302.136 1.350 10 10 DDCE CSc1ncc(CNC2CC3(C2)CS(=O)(=O)C3)s1 2208789474 ZVIFRZLWLCZLLE-UHFFFAOYSA-N 304.462 1.532 10 10 DDCE CCOCc1nc(N)cc(=NCc2cnc(SC)s2)[nH]1 2284713690 QYSIFQWMKCUJBX-UHFFFAOYSA-N 311.436 1.808 10 10 DDCE CS(=O)(=O)c1cscc1C(=O)NCCCCN=[N+]=[N-] 2272854586 QWSXEVVLIIVAAB-UHFFFAOYSA-N 302.381 1.972 10 10 DDCE CSc1ncc(CNC(=O)C(F)(F)[C@H]2CCNC2)s1 2269093396 CGZXRTYKKZKZPV-ZETCQYMHSA-N 307.391 1.726 10 10 DDCE COc1cc(OC)c(N2CC[C@@H](O)C[C@H]2CO)cc1Cl 2285866327 GZAMHXUHZOEPRQ-VHSXEESVSA-N 301.770 1.679 10 10 DDCE NC(=O)CCN(C(=O)/C=C\c1cncc(O)c1)c1ccccc1 492391370 ARVCWLSPKZFRRL-SREVYHEPSA-N 311.341 1.709 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CNCC2(C)C)s1 2349506004 SYZPLEMYCRUQIP-GFCCVEGCSA-N 301.437 1.407 10 10 DDCE COC(=O)[C@@H](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 177697806 WOCRDEFUMZNNJH-ZDUSSCGKSA-N 320.389 1.543 10 10 DDCE CC1CCN(S(=O)(=O)NCCOc2ccc(N)cc2)CC1 38079616 RXSBKOROTKQQLR-UHFFFAOYSA-N 313.423 1.214 10 10 DDCE C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)N1CCCCC1=O 189520299 ZAUYMEZIKNKUCA-LBPRGKRZSA-N 320.389 1.548 10 10 DDCE CO[C@H](C)CC[S@@](=O)C[C@H](O)COc1ccc(N)cc1 2362085043 URHBAIZFSIHCBC-JNHSQIPHSA-N 301.408 1.182 10 10 DDCE O=C(c1cccc(O)c1O)N1CCCC[C@@H]1CN1CCOCC1 187150331 DZEYHAYEJXCZDS-CYBMUJFWSA-N 320.389 1.425 10 10 DDCE Cc1cc(I)cc([C@@H](N)C(=O)O)c1O 220861635 KAAKDTLRZSSFCZ-SSDOTTSWSA-N 307.087 1.390 10 10 DDCE COC(C)(C)[C@@](CSc1nccs1)(NC(C)C)C(N)=O 2366320602 WNWDVJFYFWENGN-ZDUSSCGKSA-N 317.480 1.882 10 10 DDCE CCOC(=O)CCS(=O)(=O)Nc1cc(C)c(O)c(C)c1 2366453678 DPLUHFYRXOACTP-UHFFFAOYSA-N 301.364 1.704 10 10 DDCE Cc1cc(NS(=O)(=O)N2CCC[C@@H]2CO)cc(C)c1O 2366473247 YPZRCRSHRIRZHJ-GFCCVEGCSA-N 300.380 1.122 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)c1cnc(O)n(C)c1=O 267563707 HCDVHXMTUVSUAM-UHFFFAOYSA-N 317.345 1.244 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1nc(-c2cccs2)oc1C 808505044 QNHDLPVQBSBFHN-UHFFFAOYSA-N 307.327 1.955 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNC[C@@]2(O)C[C@H]3C=C[C@H]2C3)c1O 827189169 HGVDNHQWOZAZHL-PKWAYOAASA-N 320.345 1.726 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@@H]2C[C@@H](C)n3ncnc32)c1O 826889892 ZRGGJAMKTDVFNU-PSASIEDQSA-N 319.321 1.696 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N2C[C@H]3CC[C@@H](C3)C2)cc1 826707310 SBNMKDHWMBYLEG-GJZGRUSLSA-N 315.417 1.627 10 10 DDCE CN(Cc1cnnn1[C@@H]1CCCNC1)c1ccc2c(c1)OCO2 903902947 PWGQKSXOAREROS-CYBMUJFWSA-N 315.377 1.568 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cn(C)cn1 838743625 VJMPQVITBGDUTQ-UHFFFAOYSA-N 315.421 1.870 10 10 DDCE Cn1cnnc1N1CCN(Cc2ccc3ccccc3c2O)CC1 848924981 JKMKMVRXRVSTOP-UHFFFAOYSA-N 323.400 1.996 10 10 DDCE C[C@@H](CNC(=O)NCc1c(O)cccc1F)Cn1cccn1 914320514 IZKZYPCQNYRANK-NSHDSACASA-N 306.341 1.863 10 10 DDCE NCc1ccc2c(c1)CCCN2CC(=O)NCc1ccccn1 844218945 GDBHRICDKWFLGZ-UHFFFAOYSA-N 310.401 1.609 10 10 DDCE COc1ccc(N2CC[C@@H](NS(=O)(=O)NC(C)C)C2)cc1 849416298 OGZKCHBUWYEVCM-GFCCVEGCSA-N 313.423 1.106 10 10 DDCE CC(=O)NCCCCCOC(=O)/C=C\c1ccc(O)c(O)c1 922545986 WRIBWFPUZVMVFX-VURMDHGXSA-N 307.346 1.961 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN[C@H](CO)C1CCC1 852320591 MNVVMPSHJMBAQP-QGZVFWFLSA-N 319.449 1.462 10 10 DDCE C[C@@H](NC(=O)N[C@H](CCF)C(=O)O)c1ccc(N(C)C)cc1 929046451 UWQUWOBYCUBDGC-ZWNOBZJWSA-N 311.357 1.926 10 10 DDCE Cc1cc(O)c(CN2CC(NS(C)(=O)=O)C2)c(Cl)c1 862486410 ZSJNFZUOPDHTLE-UHFFFAOYSA-N 304.799 1.087 10 10 DDCE COC(=O)[C@@H]1CCC[C@H]1NCc1cc(OC)c(OC)cc1O 1343594847 DZHPEVFSPHCFNK-VXGBXAGGSA-N 309.362 1.841 10 10 DDCE COC(=O)[C@H](CC1CCOCC1)NC(=O)c1cc(O)cs1 881740823 YYQCDFDAFMIVFL-NSHDSACASA-N 313.375 1.542 10 10 DDCE Cc1nc(F)ccc1/C=C1\SC(=S)N(CC(=O)O)C1=O 779797275 CEJUTZLJHSILIY-YWEYNIOJSA-N 312.347 1.815 10 10 DDCE C[C@H](NS(=O)(=O)[C@H]1CCO[C@H]1C)c1ccc(N(C)C)cc1 785518447 PCGVZMMCAHSHFU-HUBLWGQQSA-N 312.435 1.910 10 10 DDCE C[C@@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C(=O)O1 897764657 MNOBZBGYBWIQBH-HTRCEHHLSA-N 307.327 1.746 10 10 DDCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1[C@H]2COC[C@H]21 792855815 DDKWJODISAMASM-ZSHCYNCHSA-N 301.390 1.731 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)Cc1ccc(N)cc1 1959370231 DVJRTLSIZZSDQA-OLZOCXBDSA-N 305.378 1.593 10 10 DDCE Cc1cc(COCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)no1 1154026804 OCNVCYWUKSUBFF-JTQLQIEISA-N 320.345 1.658 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCCc1ccc(O)nc1 1157169405 NMTYIXMIOORILM-GORDUTHDSA-N 300.314 1.571 10 10 DDCE CCOC[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 1327367288 HCOHIXNTVPDWBE-ZDUSSCGKSA-N 321.421 1.252 10 10 DDCE CC(=O)NC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1334113000 NNZKBWGGPZVABU-SECBINFHSA-N 305.338 1.446 10 10 DDCE C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cccc(O)c1O 1637046777 XYNJYDXCBSDDCB-JTQLQIEISA-N 324.377 1.875 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCO[C@]3(CCOC3)C2)cc1 1567871117 SNICUXAFIMPZQC-OAHLLOKOSA-N 318.333 1.481 10 10 DDCE O=C(O)CCNC1=NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S1 6083688 ULTMDIRQMDERTL-JXMROGBWSA-N 321.314 1.629 10 10 DDCE COC(=O)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1587263297 HGDOVHSZWOBSAQ-NSHDSACASA-N 304.306 1.530 10 10 DDCE NC(=O)NCc1ccc(C(=O)NCc2c(O)cccc2F)cc1 1596913007 RPYIAGITFZWUMQ-UHFFFAOYSA-N 317.320 1.630 10 10 DDCE C[C@@H](CO)CNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 159618049 MMBUOKREIJBXBY-LLVKDONJSA-N 323.348 1.820 10 10 DDCE CN1CC[C@@H](CNCc2cc(Br)ccc2O)C1=O 1967742601 IGYXAQLLPILFAD-VIFPVBQESA-N 313.195 1.723 10 10 DDCE C[C@@H](N)c1ccc(N(C)[C@H]2CCS(=O)(=O)C2)cc1Cl 251602397 ZLWRGGPHUVAYLB-KOLCDFICSA-N 302.827 1.983 10 10 DDCE N[C@@H]1CN(Cc2c(O)cccc2Br)[C@H]2COC[C@@H]12 2040555060 QKXKYWMYZGSFIQ-WCQGTBRESA-N 313.195 1.313 10 10 DDCE Cn1nnc(Br)c1C(=O)N1CCC[C@H](N=[N+]=[N-])C1 403638070 GULNHIXBTQNMRI-LURJTMIESA-N 314.147 1.493 10 10 DDCE CS(=O)(=O)C1CCN(c2ccc(CN)c(F)c2F)CC1 312647543 DZBZPVKVRNQNNJ-UHFFFAOYSA-N 304.362 1.437 10 10 DDCE CCN[C@H](c1ccccc1O)[C@@](C)(O)CCS(C)(=O)=O 2160826495 DJFYAFSXCCXHJW-KGLIPLIRSA-N 301.408 1.229 10 10 DDCE C[C@@H](O)c1ccc(N(CCS(C)(=O)=O)C2CC2)c(F)c1 2170152234 HUBHNWJWVISUGP-SNVBAGLBSA-N 301.383 1.892 10 10 DDCE Oc1cc(CCNCc2ccc(Br)cc2O)[nH]n1 691397568 ZWTBXPIAEPQVND-UHFFFAOYSA-N 312.167 1.916 10 10 DDCE COCCNCc1ccc(N(C)CC[S@](C)=O)cc1Cl 399077025 JQLYMKCWKGAZES-FQEVSTJZSA-N 318.870 1.891 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(Cc3cccnc3)C3CC3)c2n1 2062267890 QYYHLFGRNILXDG-UHFFFAOYSA-N 323.356 1.943 10 10 DDCE CO[C@@H]1CCC[C@@H](NC(=O)c2cnn3c(O)cc(C)nc23)C1 2062417249 ALLZHSBWEQCPFW-GHMZBOCLSA-N 304.350 1.431 10 10 DDCE CC[C@@H]1CN(C(=O)c2cnn3c(O)cc(C)nc23)C[C@H](C)O1 2062434042 DMOGFWRXFAGNIK-WDEREUQCSA-N 304.350 1.383 10 10 DDCE NCc1ccc(N2CCO[C@@H](CCO)C2)cc1Br 2052687286 KIHADMFQBSFXJO-LBPRGKRZSA-N 315.211 1.495 10 10 DDCE Cn1cc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)c(Br)n1 2052975338 GACKMNBMUZYEAP-ZETCQYMHSA-N 313.159 1.955 10 10 DDCE Cc1cc(N(C)Cc2c(Br)nnn2C)ccc1CN 2100243901 LWEXAFRMHXRWME-UHFFFAOYSA-N 324.226 1.981 10 10 DDCE CCCNC(=O)CSc1ncc(CNCCOC)s1 2099110481 FCNYHANTZZVVBM-UHFFFAOYSA-N 303.453 1.497 10 10 DDCE CO[C@@H]1[C@H](O)C[C@H]1NCc1cccc(Br)c1O 2249810854 VLCUSXLMHHJVKK-FOGDFJRCSA-N 302.168 1.393 10 10 DDCE CSc1ncc(CNC[C@@H](O)COc2cnsn2)s1 2269203943 SXGRPMHMEMWHLR-SSDOTTSWSA-N 318.449 1.246 10 10 DDCE CSc1ncc(CNC(=O)C[C@H]2CNC[C@H](C)O2)s1 2269254718 JRDHTFYKNBUOIB-IUCAKERBSA-N 301.437 1.248 10 10 DDCE CN(C(=O)C[S@](=O)CCC(F)(F)F)c1ccc(N)cc1 2283703238 MMOGJRNYQUPXFM-HXUWFJFHSA-N 308.325 1.933 10 10 DDCE CN(Cc1c(O)cccc1Br)[C@@H]1CNC[C@H]1F 2303694169 NGTLYLQZPJAJFX-GHMZBOCLSA-N 303.175 1.896 10 10 DDCE Cc1ccc(CN2C[C@H](O)C[C@H]2CO)c(O)c1Br 2327622802 AMOFXWYMUHJXEV-WDEREUQCSA-N 316.195 1.391 10 10 DDCE Cc1ccc(CNC(=O)[C@@H]2C[C@H](C)N2)c(O)c1Br 2327804046 KQGNOWICGVBNBK-WPRPVWTQSA-N 313.195 1.830 10 10 DDCE CC(C)N1C(=O)/C(=C\NCc2cccnc2)C(=O)N=C1S 103126803 JBKMBONTSLHIMP-FLIBITNWSA-N 304.375 1.118 10 10 DDCE CCCS(=O)(=O)N1CCN(c2ccc3c(c2)CC(=O)N3)CC1 62093647 NWKGNLOBQCPYKV-UHFFFAOYSA-N 323.418 1.043 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2ccncn2)cc1C 1267442273 NULSPMBVFAEHHW-UHFFFAOYSA-N 314.389 1.655 10 10 DDCE C[C@@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccc(Cl)cc1 72680446 HPZSRKUUMBCWDX-SECBINFHSA-N 321.764 1.925 10 10 DDCE C[C@H]1CCCN(S(=O)(=O)NCCOc2ccc(N)cc2)C1 38079620 QIGXHRIVZCLYEB-LBPRGKRZSA-N 313.423 1.214 10 10 DDCE COc1ccc(O)c(CN(C)CC2CCN(C[C@@H](C)O)CC2)c1 180094159 JKVDQUKDLRLOFE-CQSZACIVSA-N 322.449 1.925 10 10 DDCE COc1cc(Cl)c(N2CC[C@H](O)C[C@@H]2CO)c(OC)c1 2368287372 GYERNKGZMKVNKV-ZJUUUORDSA-N 301.770 1.679 10 10 DDCE CNC(=O)[C@@H](C)CN(C)c1ccc(CN)c(Br)c1 228157446 ZHHVVRKOBYKKSW-VIFPVBQESA-N 314.227 1.726 10 10 DDCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](CO)O1 249282455 LBFCCBVSKBPPAF-PBHICJAKSA-N 306.406 1.105 10 10 DDCE CC[C@H](CO)C(=O)NCc1cc(Br)ccc1O 804739431 GBMABWFSBLSPSK-MRVPVSSYSA-N 302.168 1.789 10 10 DDCE CCN(CC)c1ccc(CN(C)C(=O)[C@H]2CN(C)C(=O)N2)cc1 819974220 KFVRUCOUVXMCOZ-OAHLLOKOSA-N 318.421 1.515 10 10 DDCE CNC(=O)[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 817415346 RKULAMVJEDWGJO-MRXNPFEDSA-N 316.449 1.006 10 10 DDCE CN(C)c1ccc(/C=C/CNCCNC(=O)c2cc[nH]n2)cc1 835044230 HVRHENWXTQFXSO-ONEGZZNKSA-N 313.405 1.509 10 10 DDCE CCOc1ccc(O)c(CN[C@@H](C(=O)OC)c2ccnn2C)c1 843429555 FVEWHWAFMDFEAF-OAHLLOKOSA-N 319.361 1.528 10 10 DDCE CN1CCCc2cc(CNC(=N)NC[C@@H]3CCCO3)ccc21 848998988 RHWODPXZRCUOQW-HNNXBMFYSA-N 302.422 1.862 10 10 DDCE CCc1nncn1CCNC(=O)NCc1c(O)cccc1F 920858012 YXIUVJROQORVRQ-UHFFFAOYSA-N 307.329 1.185 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCCN3CCSC[C@@H]23)c1 922525736 SJILOVOKNARCQD-KGLIPLIRSA-N 323.418 1.970 10 10 DDCE CCO[C@@H](C(=O)NCc1cc(OC)ccc1O)C1CCOCC1 866766444 RQYLSQXWABLHQV-MRXNPFEDSA-N 323.389 1.849 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](O)[C@H](C)O 871128900 NCGYGMRJILPBOX-WCQYABFASA-N 308.403 1.627 10 10 DDCE COc1cc(O)c(CN2CCSC[C@@H]2CCO)cc1OC 775736986 IZYJDHCVYMQVSG-LBPRGKRZSA-N 313.419 1.709 10 10 DDCE COc1cc(O)c(CN2CCCC[C@H]2CC(N)=O)cc1OC 775663526 DMNSZGPOQNTGRH-LBPRGKRZSA-N 308.378 1.639 10 10 DDCE Cc1cccc(CN[C@H]2CCN(C3CCOCC3)C2=O)c1O 776231884 PRDLFAYDSNQYHN-HNNXBMFYSA-N 304.390 1.570 10 10 DDCE COC[C@@](C)(CO)NCc1cc(Cl)cc([N+](=O)[O-])c1O 777483138 GHAKQZIIMGTXSU-GFCCVEGCSA-N 304.730 1.441 10 10 DDCE O=C1NC(=O)[C@@]2(CCCN(Cc3c(O)cccc3Cl)C2)N1 789769250 LUFPXDBEWPOZNU-AWEZNQCLSA-N 309.753 1.220 10 10 DDCE CC[C@@H](N)CN1CC2(CCNCC2)Nc2cc(OC)ccc21 76931226 RUPYKQMASWIAIC-CYBMUJFWSA-N 304.438 1.787 10 10 DDCE O=C(NCCCOCCO)c1cc2cc(O)c(O)cc2s1 897349794 UJUINIOVGPCNIG-UHFFFAOYSA-N 311.359 1.441 10 10 DDCE C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cc(O)ccc1O 1153879608 REFBJASYCCODKB-QLJPJBMISA-N 315.325 1.943 10 10 DDCE Cc1c(Br)cnn1CC(=O)NCc1ccccc1O 1150536656 QTPFVNNRYHRNAH-UHFFFAOYSA-N 324.178 1.976 10 10 DDCE C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@H]1F 1325834992 MBJZTHCAIODWAR-WCQYABFASA-N 308.353 1.557 10 10 DDCE C[C@H](O)C(C)(C)NCc1ccc(N2CCN(C)CC2)c(F)c1 1337282656 TUUCNNIOGMRURZ-ZDUSSCGKSA-N 309.429 1.827 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)c2ccoc2)cc1C 1283735923 UUGGVXYNBFXYGR-OAHLLOKOSA-N 318.373 1.477 10 10 DDCE CN(C)c1ccc(CNC(=O)C2=C[S@](=O)CCC2)cc1F 1442477204 YUSXYNALBAOBFQ-OAQYLSRUSA-N 310.394 1.934 10 10 DDCE C[C@@H](CC[S@@](C)=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1294064724 XYNVRWJHDWNVKJ-JLTPVHFHSA-N 310.379 1.736 10 10 DDCE C=C1c2ccccc2C(=O)N1CC(=O)NCc1cccc(O)c1O 1455315318 FAQAAUFZVSSZGT-UHFFFAOYSA-N 324.336 1.841 10 10 DDCE O=C1CC2(CCCCC2)N(C(=O)Cc2ccc(O)c(O)c2)N1 1467832516 ZFCWPKUCFWMFCX-UHFFFAOYSA-N 304.346 1.607 10 10 DDCE CCOC(=O)[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 1464596646 MKFYYILIULNREC-GFCCVEGCSA-N 307.346 1.585 10 10 DDCE Cc1ccc(C[C@@H](CO)NC(=O)Cc2ccc(O)c(O)c2)cc1 1625233008 HOKXQDIARZPFRV-HNNXBMFYSA-N 315.369 1.669 10 10 DDCE COc1ccnc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1F 1629642565 IFXYDUBVKOFFAX-HWKANZROSA-N 318.304 1.970 10 10 DDCE CCOC(=O)c1cc(CNC(=O)c2ccc(C)c(O)c2O)on1 1635952930 NHGMXRJYRIUINI-UHFFFAOYSA-N 320.301 1.501 10 10 DDCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NOCC(N)=O 1597918360 ZEORAGXCAUNYJL-UHFFFAOYSA-N 315.329 1.053 10 10 DDCE CC[C@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@@H](C(=O)O)C1 251231713 QNIYADCPLBZSRW-BXUZGUMPSA-N 305.378 1.783 10 10 DDCE CS(=O)(=O)C[C@@H]1CN(c2ccc(CN)c(Cl)c2)CCO1 2143674167 ZPXCDDCAVYIMRE-LBPRGKRZSA-N 318.826 1.049 10 10 DDCE CC1([C@@H]2CCCN(C(=O)COc3ccc(N)cc3)C2)OCCO1 2145843722 NIDKHQDXSIHDBZ-CYBMUJFWSA-N 320.389 1.649 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](O)CN[C@H]1CCc2cccc(O)c21 1985781566 ZVNPDJTUHYHFEF-STQMWFEESA-N 322.405 1.855 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2ccc(N)cc2)C[C@H](O)C1 1990032106 HGPOUMQAOZVRMF-DRQUAOQDSA-N 321.377 1.626 10 10 DDCE COC[C@]1(O)CCN(c2ccc(CN)c(Br)c2)C1 2034417583 BYKYBVJBQGYVEZ-ZDUSSCGKSA-N 315.211 1.495 10 10 DDCE CN1CC2(C1)CN(c1ccc(CN)c(Br)c1F)C2 2034810870 POBIFIVUZYWIDZ-UHFFFAOYSA-N 314.202 1.799 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)C2)c(Br)c1 300131058 DZFBXHRCJBSGTQ-JCOFBHIZSA-N 315.211 1.271 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)N1CCC(CO)CC1 2157786881 JQBJAGHWIWZURV-UHFFFAOYSA-N 320.798 1.407 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)[C@@H]3CCN(C(C)C)C3)c2n1 2063117640 IHGVQAQYKKBUHT-GFCCVEGCSA-N 317.393 1.298 10 10 DDCE CO[C@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Cc2ccc(O)c(O)c2)C1 2064878730 ZCSOUHCHRRUONV-RYUDHWBXSA-N 317.345 1.352 10 10 DDCE CCS(=O)(=O)[C@@H]1CCN(Cc2cc(F)cc(F)c2O)C1 2179906887 AYVSLXPQJJCLAD-LLVKDONJSA-N 305.346 1.679 10 10 DDCE C[C@H](NS(=O)(=O)CCC(F)(F)CO)c1ccccc1O 2192630656 ZGDKVNSQGPXTTK-VIFPVBQESA-N 309.334 1.390 10 10 DDCE CN[C@H](C)c1cc(F)c(N(C)C2CS(=O)(=O)C2)c(F)c1 2194704000 KQCAPCKHBQPBOO-MRVPVSSYSA-N 304.362 1.478 10 10 DDCE CSC1CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 2097629762 VXYXPLOFQBGRAW-UHFFFAOYSA-N 302.421 1.025 10 10 DDCE CN1C(=O)C(=CC=CNc2ccccc2)C(=O)N(C)C1=S 2295902798 KAGXTMXUYJWFPB-UHFFFAOYSA-N 301.371 1.754 10 10 DDCE NN1C(=O)C(=Cc2cccc(OCCC(=O)O)c2)SC1=S 2294874632 KXDUHWTXUMLWLB-UHFFFAOYSA-N 324.383 1.615 10 10 DDCE Cc1cc(C=C2C(=O)NC(=S)N(C)C2=O)c(C)n1C1CC1 2297366382 PCPHOHKNRWASAG-UHFFFAOYSA-N 303.387 1.696 10 10 DDCE NCc1ccc(N2C[C@@H]3C[C@H]2[C@H]3CO)c(F)c1Br 2311890216 CESMPTFGCYMUFM-QXEWZRGKSA-N 315.186 1.864 10 10 DDCE Cc1ccc(CN[C@@H](CO)CN(C)C)c(O)c1Br 2327630007 HJBFSAPYLMSCNF-LLVKDONJSA-N 317.227 1.475 10 10 DDCE Cc1ccc(CN(C)[C@@H]2COC[C@@H]2O)c(O)c1Br 2327627911 DWXZORHUDDSZBR-MNOVXSKESA-N 316.195 1.655 10 10 DDCE Cc1ccc(CN2CCN(C)CC2=O)c(O)c1Br 2327605741 ISAURUDDZBWALD-UHFFFAOYSA-N 313.195 1.737 10 10 DDCE Cc1ccc(CNC(=O)C[C@H]2CCN2)c(O)c1Br 2327792338 ISVATFACRBRAHC-SNVBAGLBSA-N 313.195 1.831 10 10 DDCE N[C@@H](CCC(=O)O)c1cc(I)ccc1O 1951658128 QNCOHJUSJFGJHW-QMMMGPOBSA-N 321.114 1.861 10 10 DDCE COc1ccc(N(C)CCn2nc3ccccn3c2=O)cc1F 121774835 YDBFYBNBBIBHIF-UHFFFAOYSA-N 316.336 1.780 10 10 DDCE CCCS(=O)(=O)N(C)N[C@@H](C)c1cc(OC)ccc1O 2365342126 WCPZNHFDBRDTFJ-JTQLQIEISA-N 302.396 1.638 10 10 DDCE CO[C@@H]1C=C[C@](CNCc2nnc(-c3ccccc3)o2)(OC)O1 39891573 RRYSQPQQDSEURR-HOCLYGCPSA-N 317.345 1.728 10 10 DDCE COc1cc(Cl)c(N2CC[C@@](N)(C(=O)O)C2)c(OC)c1 2368108532 PMEHFNHFGNXWBZ-ZDUSSCGKSA-N 300.742 1.349 10 10 DDCE CNCc1ccc(N2CCn3cnnc3C2)cc1Br 234435731 XOLMCYMIVVOFQM-UHFFFAOYSA-N 322.210 1.780 10 10 DDCE CC[C@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCN1C[C@H](C)O 248409758 GFSQBSOSLZZKAM-STQMWFEESA-N 322.405 1.323 10 10 DDCE C[C@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1cc(F)ccc1O 368211081 BTBULRYRJPHUNS-XHDPSFHLSA-N 322.380 1.962 10 10 DDCE CC(=O)C(=O)COC(=O)CCOc1ccc(F)cc1Cl 808505456 AHJMLHPKEPJAIB-UHFFFAOYSA-N 302.685 1.949 10 10 DDCE CN(C)c1ccc([C@H](N)CN[C@H]2CCC(=O)NC2(C)C)cc1 817942525 PKAKFNIKVVHFLN-CABCVRRESA-N 304.438 1.399 10 10 DDCE O=c1oc2ccc(Cl)cc2n(OC[C@@H]2CCCNC2)c1=O 821296466 DNNTXSQHYGTFLC-SECBINFHSA-N 310.737 1.036 10 10 DDCE CN(C)c1ccc(/C=C/CN2CC[C@@H](S(N)(=O)=O)C2)cc1 835044727 DFPBGACQVLMHIT-NHZBNJEXSA-N 309.435 1.129 10 10 DDCE COC(=O)[C@@H]1[C@@H](O)CCCN1C/C=C/c1ccc(N(C)C)cc1 835045739 POGBXMBJHGCPRH-XQTSXYSPSA-N 318.417 1.764 10 10 DDCE C/C=C/[C@H](O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 900269668 RHNYBLNQQGXGHR-FAAWYNLUSA-N 308.353 1.216 10 10 DDCE Cn1ccnc1CN1CCN(C(=O)c2cc(O)cs2)CC1 732288241 KDRHXKDJURHLGL-UHFFFAOYSA-N 306.391 1.145 10 10 DDCE CCc1onc(C)c1C(=O)OCC(=O)c1ccc(O)c(O)c1 916620875 KMKHGJHGKAVVBE-UHFFFAOYSA-N 305.286 1.996 10 10 DDCE COc1ccc(N2CC[C@@H](N3C(=O)N[C@H](CCF)C3=O)C2)cc1 849356616 FZSWUKPCJIJJGE-TZMCWYRMSA-N 321.352 1.554 10 10 DDCE CCOC(=O)C1(O)CCN(Cc2cccc(CC)c2O)CC1 848888487 VBSHRMBDQPZVIL-UHFFFAOYSA-N 307.390 1.845 10 10 DDCE C[C@@H](C(=O)NCc1c(O)cccc1F)[C@H](C)S(C)(=O)=O 928707737 HLLICMPFSREWTF-BDAKNGLRSA-N 303.355 1.217 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cncc(N2CCCC2)n1 928709579 JQVVQYKPRLBDCR-UHFFFAOYSA-N 316.336 1.852 10 10 DDCE C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@]1(C)CO 853964090 IYJDKLXMCYPIGW-VFZGTOFNSA-N 321.333 1.380 10 10 DDCE C[C@H]1CCc2nc(C(=O)NCc3ccc(O)c(O)c3)cn2C1 857945415 RAQGZPVGVSPKGM-JTQLQIEISA-N 301.346 1.807 10 10 DDCE COc1ccc(N2CC[C@@H](Nc3ccc(C(N)=O)nn3)C2)cc1 853759069 OPGHGDBPLHRVBU-LLVKDONJSA-N 313.361 1.275 10 10 DDCE COCCN(CC1CCN(C)CC1)C(=O)c1cccc(O)c1O 869761909 DOXHHCQOZPCUNX-UHFFFAOYSA-N 322.405 1.528 10 10 DDCE CC(=O)N[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 897994832 AVRPPZMAJXQOGR-SNVBAGLBSA-N 320.370 1.663 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)CS(=O)(=O)C2CC2)c1 1150543628 RGVWCWXDHAWIIP-VIFPVBQESA-N 313.375 1.155 10 10 DDCE COC(=O)c1ccc2c(c1)CCN2C(=O)/C=C\c1cn(C)cn1 1353329851 GJBTXESLTLBPGQ-XQRVVYSFSA-N 311.341 1.809 10 10 DDCE C[C@@H]1CO[C@@H](CO)CN1C(=O)c1ccc(N=NC(N)=O)cc1 1295013586 PEIZRAHIAAERQX-BXKDBHETSA-N 306.322 1.071 10 10 DDCE C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccc(N=NC(N)=O)cc1 1295013589 PEIZRAHIAAERQX-JOYOIKCWSA-N 306.322 1.071 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 1610066535 RTRWCMHGHGWOTE-XZJROXQQSA-N 303.358 1.714 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2c[nH]nc2C)cc1C 1715946645 YQDXZWVEIVYEGS-GFCCVEGCSA-N 316.405 1.943 10 10 DDCE C[S@@](=O)Cc1cccc(C(=O)NCc2ccc(O)cc2O)c1 1626838361 YONUAHDGFWVWFN-JOCHJYFZSA-N 319.382 1.906 10 10 DDCE CC(C)CCN(CCO)S(=O)(=O)Cc1ccc(N)cc1 1924465545 GRTHICHNHRZHFA-UHFFFAOYSA-N 300.424 1.439 10 10 DDCE O=C(CNC(=O)c1cccc(F)c1)NCc1c(O)cccc1O 1558534024 KHSWCQLBMXBQRD-UHFFFAOYSA-N 318.304 1.283 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cc2c(cc1O)OCO2 1558175316 LTZYAAVYBQMUPH-UHFFFAOYSA-N 303.270 1.462 10 10 DDCE CC1(C)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC[S@]1=O 1569102944 ASCNCCVNALNZIQ-NAMKQITDSA-N 323.414 1.871 10 10 DDCE C[C@@H](NC(=O)CNC(=O)c1ncccc1O)c1ccccc1O 1632246401 GYIXOGWZSLWMLI-SNVBAGLBSA-N 315.329 1.100 10 10 DDCE O=C(CNC(=O)c1ccsc1)NCc1cccc(O)c1O 1643812612 MZKMNBPDAVLRAP-UHFFFAOYSA-N 306.343 1.206 10 10 DDCE COC[C@@H](C)N(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1731797823 YDJDEXAKXQYFOZ-LLVKDONJSA-N 321.381 1.546 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cnn(C[C@H]2CCCO2)c1 1596352499 BZMVXYQZHZZTQI-CYBMUJFWSA-N 317.345 1.655 10 10 DDCE CNCc1ccc(N2CCNC(=O)[C@H]2C)cc1C(F)(F)F 167378455 PHCJNHUEZWYXCG-SECBINFHSA-N 301.312 1.750 10 10 DDCE C=CC(=O)NCCC(=O)NCc1ccc(N(CC)CC)c(F)c1 156815046 WDNBLVRLVSDGTC-UHFFFAOYSA-N 321.396 1.980 10 10 DDCE O=S1(=O)CC[C@@H]1CNCc1c(O)cccc1Br 1945525178 CCZZAWVFFVDOSV-MRVPVSSYSA-N 320.208 1.431 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC2CCSCC2)cc1 136316908 MUSIITVEIYHAQZ-UHFFFAOYSA-N 316.448 1.463 10 10 DDCE C[C@H](O)c1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c(F)c1 2148784653 SAAVFJOWLGVPBN-QWRGUYRKSA-N 301.383 1.750 10 10 DDCE Nc1ccc(CC(=O)N=c2nc(Br)[nH]s2)cc1 2001586593 UWRFCSWCYYTJCZ-UHFFFAOYSA-N 313.180 1.486 10 10 DDCE COc1cc(C=C2SC(N3CCOCC3)=NC2=O)ccc1O 2053467630 KUIFSWAFSKZRSU-UHFFFAOYSA-N 320.370 1.703 10 10 DDCE CC(C)O[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@@H]1CN=[N+]=[N-] 2179611015 CCYGFIRUZQGISC-IJLUTSLNSA-N 302.400 1.352 10 10 DDCE CNC(=O)c1cn(Cc2cccc(C(F)(F)F)c2O)nc1O 2070624632 SZKUXIWFECOIEJ-UHFFFAOYSA-N 315.251 1.721 10 10 DDCE CCS(=O)(=O)CCN(C)c1ccc([C@@H](C)NC)cc1F 2170441447 QRVKORGYHBKKTF-LLVKDONJSA-N 302.415 1.977 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1c1ccc2c(c1)CC[C@@H]2N 2184738748 XNDXXUTYJPQXNS-KBPBESRZSA-N 312.460 1.557 10 10 DDCE COCCONCc1c(Br)ccc(OC)c1O 2214882310 DOPQBFAPQZSBSD-UHFFFAOYSA-N 306.156 1.831 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@@H]2CC[C@@H](CO)C2)s1 2269092790 KSWFXXMMGQZMCE-PSASIEDQSA-N 322.477 1.445 10 10 DDCE CN(c1cncc(Cl)n1)S(=O)(=O)Cc1ccc(N)cc1 2234692344 YHSKBCIILBEVEW-UHFFFAOYSA-N 312.782 1.678 10 10 DDCE COC(C)(C)C[S@](=O)C[C@@H](O)COc1ccc(N)cc1 2280301288 WTXKOVWEFZDTBR-FKIZINRSSA-N 301.408 1.182 10 10 DDCE CSc1ncc(CNC[C@@H](N)Cc2cncs2)s1 2257126585 KRTLDAZKHCFEST-QMMMGPOBSA-N 300.478 1.981 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@H]2[C@H](O)CO)c(Br)c1 2258342093 MONXRLAYWNBFKK-AQUOVQTQSA-N 316.195 1.434 10 10 DDCE COC1(C(=O)NCc2cnc(SC)s2)CCNCC1 2269092293 GATFQAPGQAXCQI-UHFFFAOYSA-N 301.437 1.250 10 10 DDCE CN(CC1CC(S(C)(=O)=O)C1)c1ccc(CN)cc1F 2285296094 ONUOKBKPAWWCRN-UHFFFAOYSA-N 300.399 1.544 10 10 DDCE COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccco2)C1=O 2296766054 RBFLGKKYYIXARQ-UHFFFAOYSA-N 312.281 1.955 10 10 DDCE COc1ccc(Br)c(CN2CC[C@@H](N)C2)c1O 1236169865 GTSQYAJRVUSYKC-MRVPVSSYSA-N 301.184 1.696 10 10 DDCE Cc1ccc(CN(CCO)CCO)c(O)c1Br 2307480159 PYXOYEGHBZOUQE-UHFFFAOYSA-N 304.184 1.250 10 10 DDCE Cc1ccc(CNC[C@@]2(O)CCOC2)c(O)c1Br 2327612156 JJBWGMSUOYWLEX-ZDUSSCGKSA-N 316.195 1.704 10 10 DDCE NCc1cc(F)c(N2CC[C@H](C(N)=O)C2)cc1Br 310629950 IGTGSLZPKOCXPM-ZETCQYMHSA-N 316.174 1.359 10 10 DDCE CCOCCN1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 171567829 OPDUCDFXDBGZAH-UHFFFAOYSA-N 309.366 1.455 10 10 DDCE CC(=O)N(C(=O)C(=O)N1CCC[C@@H](C)C1)c1ccc(N)cc1 170318561 RRXLZIFCGLUETA-LLVKDONJSA-N 303.362 1.407 10 10 DDCE CC(C)C[C@@H](CNC(=O)c1cccc(O)c1O)N1CCOCC1 186851133 HHQJIIFMMBACOZ-ZDUSSCGKSA-N 322.405 1.575 10 10 DDCE CCOC(=O)COc1cccc(/C=C2/SC(N)=NC2=O)c1 210901313 SKAXOFWQOSVPCD-YRNVUSSQSA-N 306.343 1.558 10 10 DDCE CN(C)c1ccc([C@H]2NC[C@@H](CSc3nnco3)O2)cc1 75330538 LWMCSHMWRMHILA-STQMWFEESA-N 306.391 1.915 10 10 DDCE CCCNC(=O)CNCc1cccc(Br)c1O 42411938 HNUYONUOCXOLQE-UHFFFAOYSA-N 301.184 1.771 10 10 DDCE COc1cc(Cl)c(N2CCC[C@H]2[C@@H](O)CO)c(OC)c1 2368279824 DEBGXMUIEKFSME-RYUDHWBXSA-N 301.770 1.679 10 10 DDCE COc1ccc(N2CCN(S(=O)(=O)CC3CCC3)CC2)cc1 92978977 HQVIUKCUYDWFCB-UHFFFAOYSA-N 324.446 1.947 10 10 DDCE Cn1nccc1CN1C(=O)CN(Cc2ccccc2O)C1=O 819165285 SEPVHFXBMCUEGQ-UHFFFAOYSA-N 300.318 1.090 10 10 DDCE Nc1ccc(OC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 722434038 PEXNJCZRKPFIJR-LLVKDONJSA-N 313.400 1.544 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNC[C@]2(O)C[C@H]3C=C[C@H]2C3)c1O 827189168 HGVDNHQWOZAZHL-KNHMANMVSA-N 320.345 1.726 10 10 DDCE COC(=O)[C@](C)(CCF)NCc1cc(OC)c(OC)cc1O 827352729 ODKZACKHVWTWSJ-HNNXBMFYSA-N 315.341 1.790 10 10 DDCE Cn1cc(C(=O)N2CCCn3nccc32)c(-c2cccnc2)n1 675036299 CKUCWSGBOLRQMI-UHFFFAOYSA-N 308.345 1.729 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1893864448 MXHNCMKCXWNHMC-SRVKXCTJSA-N 310.394 1.509 10 10 DDCE COc1cccc(O)c1CN1CCC(Cn2cnnc2)CC1 846056222 MLKKXIVNBPHJND-UHFFFAOYSA-N 302.378 1.905 10 10 DDCE C[C@H](ONC(=O)OC(C)(C)C)[C@@H](N)Cc1ccc(O)c(O)c1 1952842018 XMNWQYOUXMHHMM-ONGXEEELSA-N 312.366 1.812 10 10 DDCE COC(OC)[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 923675815 GDWKNNFPFLUWSG-GFCCVEGCSA-N 309.410 1.901 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@]1(C)Cc2ccc(C)cc2C(=O)O1 924212780 YJUXMIRUZBCBDJ-MRXNPFEDSA-N 304.298 1.168 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3ccc(O)nc3)C2)cc1 855235170 ZYUDBJWPEAWVPE-CYBMUJFWSA-N 313.357 1.805 10 10 DDCE CN1CCC[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 925297612 LBXAOLKXCRYPDF-CYBMUJFWSA-N 303.362 1.251 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)c1nn(C)cc1[N+](=O)[O-] 772917388 NCWCPMIMGHBWGE-UHFFFAOYSA-N 317.349 1.633 10 10 DDCE Clc1ccc(C2=CCN(c3nccn4nnnc34)CC2)cn1 773254840 NQNXYBAZRCDXIX-UHFFFAOYSA-N 313.752 1.861 10 10 DDCE COCCNC(=O)CN(C)[C@@H](C)c1cc(Cl)ccc1O 133131982 NWCOMBQVANCHQT-JTQLQIEISA-N 300.786 1.801 10 10 DDCE COc1ccc(N2CCC(NC[C@@H](O)CC(C)(C)O)CC2)cc1 872200281 OJTZTGKZHYSZAF-INIZCTEOSA-N 322.449 1.776 10 10 DDCE COC(=O)CN(Cc1ccc(N2CCN(C)CC2)cc1)C1CC1 775735665 ATKVUBYFGBMVBC-UHFFFAOYSA-N 317.433 1.576 10 10 DDCE CC(C)(C)NC(=O)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1136589178 BKWUXCGJUULZCW-UHFFFAOYSA-N 319.365 1.884 10 10 DDCE C[C@@H](N)c1ccc(N2CCSC[C@@H]2S(C)(=O)=O)cc1 90922711 DTALQHCPDMZJNW-MFKMUULPSA-N 300.449 1.630 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2ccnc(CO)c2)c1 1150542679 COXOACACAWNKJM-JTQLQIEISA-N 302.330 1.779 10 10 DDCE O=Cc1ccc(OCC(=O)NCc2c(O)cccc2O)cc1 1304053223 DZVYQTLURVQXAC-UHFFFAOYSA-N 301.298 1.606 10 10 DDCE O=C(NCc1cc(O)ccc1O)C1CCN(CC(F)F)CC1 1303225484 JDJZKSJZKLVTRI-UHFFFAOYSA-N 314.332 1.691 10 10 DDCE COc1c(C(=O)NCc2ccc3c(c2)CCCN3C)cnn1C 1325524643 CMEVDHWPJPVZAA-UHFFFAOYSA-N 314.389 1.741 10 10 DDCE CS(=O)(=O)N1CCC[C@H](N2CCC[C@@H](CN=[N+]=[N-])C2)C1 1912187413 KIMVDLZACPLESX-RYUDHWBXSA-N 301.416 1.433 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc(-n2cnnn2)cc1 1456235774 MTXHNUWTEFIZIA-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE Cc1cc(C(=O)N2CC=C(N)N2)c(C)n1-c1ccc(F)cc1 1471915698 RYXPXBAVXHYBMQ-UHFFFAOYSA-N 300.337 1.994 10 10 DDCE COCCC(=O)N1CC[C@H](CNCc2ccc(OC)c(C)c2)C1 1713340959 VCQYHBLNMCKMJC-MRXNPFEDSA-N 320.433 1.978 10 10 DDCE CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2c(O)cccc2O)C1 1639292481 FFULVENIQCSKBW-WDEREUQCSA-N 307.346 1.693 10 10 DDCE Cc1ccc2nc(CNC(=O)Cc3ccc(O)c(O)c3)cn2c1 1568855573 RUIYUWSQWXYPMV-UHFFFAOYSA-N 311.341 1.913 10 10 DDCE COCc1nn(C)cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 1638347336 FZUFEHZYJFPVEM-JTQLQIEISA-N 319.361 1.339 10 10 DDCE COc1cccc(CNC(=O)N[C@H](C)c2ccn(C)n2)c1O 1681898035 XFUCMMSJOXZPCG-SNVBAGLBSA-N 304.350 1.695 10 10 DDCE COc1cccc(CNC(=O)NCc2cc(C)cnc2O)c1O 1687778676 ZVJVQKHOGZQLQG-UHFFFAOYSA-N 317.345 1.809 10 10 DDCE CN(CCCC(=O)C(=O)C[C@H]1C[C@H](N)C1)C(=O)OC(C)(C)C 1961043538 VYGCFEFTPRRXEO-HAQNSBGRSA-N 312.410 1.899 10 10 DDCE C[C@H](CO)CNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 159617904 MMBUOKREIJBXBY-NSHDSACASA-N 323.348 1.820 10 10 DDCE Nc1ccc(NC(=O)CCN2C(=O)Cc3ccccc3C2=O)cc1 324100185 LGEWLAFLSFQRNA-UHFFFAOYSA-N 323.352 1.823 10 10 DDCE CN(C)c1ccc(CNS(=O)(=O)c2cnc(O)s2)cc1 866424703 KMNPHSZOMNLLAC-UHFFFAOYSA-N 313.404 1.393 10 10 DDCE COc1cc(Br)cc(CN2C[C@H](C)[C@H](O)C2)c1O 897683193 ASVDEIVOBRAPKE-GZMMTYOYSA-N 316.195 1.976 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1(C)CC1 1980375795 CDMZUROTTYRRQR-MJVIPROJSA-N 324.421 1.945 10 10 DDCE CNCc1ccc(N2CC(N(C)OC)C2)c(Br)c1 2028065853 ODUREAUQWPEFAZ-UHFFFAOYSA-N 314.227 1.850 10 10 DDCE C[C@H](N)c1ccc(N(C)CC(=O)N(C)C)c(Br)c1 723159221 BHLZRGOJWGNTLE-VIFPVBQESA-N 314.227 1.993 10 10 DDCE CN(CC1(O)CCOCC1)c1cc(Cl)c(CN)cc1F 2177377520 NBZQKKSZOUBNLO-UHFFFAOYSA-N 302.777 1.916 10 10 DDCE COc1ccc(Cn2ncc(S(C)(=O)=O)c2Cl)c(O)c1 2070245864 MRFVZOMQFAEPPV-UHFFFAOYSA-N 316.766 1.703 10 10 DDCE Cn1nnc2c1CCN(c1ccc(CN)c(Br)c1)C2 2114038536 NYRDXEPPZRHHKG-UHFFFAOYSA-N 322.210 1.599 10 10 DDCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)c(Cl)c1 2205606949 DNNPCBYJSNZFMW-MELADBBJSA-N 302.777 1.329 10 10 DDCE NCc1cc(F)c(N2C[C@@H](O)C[C@@H](F)C2)cc1Br 2219158887 LYPAIXPCVPFCIW-BDAKNGLRSA-N 321.165 1.956 10 10 DDCE COc1ccc(Br)c(CN(C)CC2CNC2)c1O 2220455675 GCASZISAPXHYJI-UHFFFAOYSA-N 315.211 1.815 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2CCC[C@@H](O)[C@@H]2O)c1O 2232557078 SHAWIPOSLCEXMF-JTNHKYCSSA-N 301.770 1.418 10 10 DDCE CN(C)c1ccc(C=C(SC2=NCCC(=O)N2)C(=O)O)cc1 2296382169 WTPQOUMJHNRDEQ-UHFFFAOYSA-N 319.386 1.787 10 10 DDCE Cc1ccc(CNC(=O)[C@@H](N)CCF)c(O)c1Br 2327596567 MQQSVIXRLYTIFR-VIFPVBQESA-N 319.174 1.766 10 10 DDCE Cc1ccc(CNC(=O)C2(C)CNC2)c(O)c1Br 2327798333 FZBLVKOMNLEKJH-UHFFFAOYSA-N 313.195 1.689 10 10 DDCE CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc3c(c1)OCO3)C(=O)C2=O 101103722 RFHKUNXFCDGHNF-BTDLBPIBSA-N 315.325 1.928 10 10 DDCE CN[C@H]1C(=O)Nc2cc(N3CC[C@H](CCO)C3)c(Cl)cc21 123545141 VLPGXZLHFOKALK-YMTOWFKASA-N 309.797 1.761 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1 121474127 GMQWKKFRZHLABA-DOMZBBRYSA-N 321.421 1.929 10 10 DDCE CCOC(=O)CS(=O)(=O)N(Cc1ccc(N)cc1)C1CC1 49061625 FDJQYSDMRVEUEO-UHFFFAOYSA-N 312.391 1.126 10 10 DDCE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN=[N+]=[N-] 42013277 OLPYYKMBCILXSO-UHFFFAOYSA-N 315.311 1.582 10 10 DDCE CCN(CC)c1ccc(CN2CC[C@@H](NC(N)=O)C2)cc1F 271395327 UQTLYBGBPIZCLF-CYBMUJFWSA-N 308.401 1.915 10 10 DDCE C[C@@H]1C[C@@H]1N1C[C@@H](NCc2cc([N+](=O)[O-])ccc2O)CC1=O 363263832 CGZPXASDUXIEOC-CDMKHQONSA-N 305.334 1.399 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Nc3ccn(C)n3)C2)cc1 820704761 PCBAPOAUDOAJRH-LBPRGKRZSA-N 315.377 1.829 10 10 DDCE NCCN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 675068171 UPUUYSWAFMHPEY-UHFFFAOYSA-N 300.358 1.628 10 10 DDCE CN(C(=O)NCCc1ccc(N)cc1)[C@H]1CCN(C2CC2)C1 841956255 ZWXYFKDTLNKBQS-INIZCTEOSA-N 302.422 1.689 10 10 DDCE C[C@@H](NC(=O)Cc1ccon1)c1ccc(N2CCOCC2)cc1 746168346 OCIGRALVSBGQSB-CYBMUJFWSA-N 315.373 1.931 10 10 DDCE COC[C@@H]1C[C@@H](O)CN1C(=O)NCc1ccc(N(C)C)cc1 844777396 HAJCYHSTGIXBNG-LSDHHAIUSA-N 307.394 1.044 10 10 DDCE COC[C@H](O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 854384606 WCIPVKASIIVVCQ-QGZVFWFLSA-N 316.401 1.760 10 10 DDCE CN(C)CCC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 853625789 YTECUIMDLTYQRU-AWEZNQCLSA-N 322.405 1.664 10 10 DDCE CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852844113 QKJNGQBMWHQDAZ-ZENOOKHLSA-N 305.422 1.764 10 10 DDCE C[C@@H]1[C@H](NC/C=C/c2ccc(N(C)C)cc2)CCS1(=O)=O 858281547 UBMOHZUUBUFHNA-LVQRLBQTSA-N 308.447 1.931 10 10 DDCE C[C@H](NC(=O)NCCS(=O)(=O)C1CC1)c1ccccc1O 868707360 UEHHAFALSDIQIN-JTQLQIEISA-N 312.391 1.330 10 10 DDCE COc1ccc(O)c(CN[C@@H]2CCO[C@@H]2c2nc(C)no2)c1 862542883 CPHOVHAFKHHLED-OCCSQVGLSA-N 305.334 1.712 10 10 DDCE CN(C)C(=O)/C=C/C(=O)NCc1c(O)ccc2c1CCCC2 1137443408 OFNLASQRXWQNDW-MDZDMXLPSA-N 302.374 1.532 10 10 DDCE 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CC(=O)C(=O)COC(=O)c1sc(-c2cnn(C)c2)nc1C 808518483 JCDKSJGDVAANIL-UHFFFAOYSA-N 307.331 1.167 10 10 DDCE C[C@H](NC[C@]1(CO)COCCN1C)c1cc(F)cc(F)c1O 903280277 MJIPTACHCORTNQ-BONVTDFDSA-N 316.348 1.014 10 10 DDCE CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1cccc(OC)c1O 907059843 IFOISRPBVQKVNA-NWDGAFQWSA-N 307.346 1.606 10 10 DDCE NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)/C=C\c1ccc(O)c(O)c1 832830272 BLXIEEXGOUMMSO-UKSQJVTJSA-N 316.357 1.223 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](CO)C3CC3)C2)cc1 852455219 SOOAURKONSGSDS-CJNGLKHVSA-N 319.405 1.344 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(C)CCCO3)C2)cc1 855233922 PILHQXGXSVOEHP-CXAGYDPISA-N 304.390 1.959 10 10 DDCE COCc1nc(C(=O)NCc2ccc(N(C)C)c(F)c2)n(C)n1 853800277 AGLVTBCOOTUELL-UHFFFAOYSA-N 321.356 1.097 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCCCCN)C2)cc1 1118482943 SWRFSJJECWFMJE-CYBMUJFWSA-N 306.410 1.312 10 10 DDCE CC[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCS1 1119005470 AMTWTAZXPVCEIY-LBPRGKRZSA-N 320.414 1.588 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNCC[C@H](C)[S@](C)=O)c1O 775051581 NULDGVJEZYREAB-FPVGNUTFSA-N 316.379 1.556 10 10 DDCE COc1ccc(O)c([C@H](C)NS(=O)(=O)[C@H]2CCO[C@H]2C)c1 785495417 PMGCMGBXLNOYLZ-BHDSKKPTSA-N 315.391 1.559 10 10 DDCE CN(C)c1ccc(CNC(=O)C2CN(C3CCOCC3)C2)cc1 895488350 OBEHCRKARVOTCG-UHFFFAOYSA-N 317.433 1.480 10 10 DDCE COC(=O)[C@H](C[C@H]1CCCO1)NCc1ccc(F)c(F)c1O 895867700 YSGZQNYGONAMHS-PWSUYJOCSA-N 315.316 1.871 10 10 DDCE C[C@H](NC(=O)N1CC(CO)C1)c1ccc(N2CCOCC2)cc1 790250105 UTISRIQKFDEATH-ZDUSSCGKSA-N 319.405 1.218 10 10 DDCE C[C@H](O)c1ccc(N(C)C[C@H]2CCCS2(=O)=O)c(F)c1 694131321 LULHRNWRVMQVJU-CMPLNLGQSA-N 301.383 1.892 10 10 DDCE C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H](C)C1 1335622754 OKUBQLAQFDVUCP-VXGBXAGGSA-N 302.374 1.881 10 10 DDCE N[C@H]1CC(C(=O)N2CCc3cccc(Br)c32)=C[C@@H]1O 2131468893 IXRNLEORLKFWFX-RYUDHWBXSA-N 323.190 1.357 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)c1cc(Br)n(C)n1 1912148499 UKOLZOUXUKGJHE-UHFFFAOYSA-N 301.148 1.955 10 10 DDCE CC(=O)Nc1ccccc1CNC(=O)Cc1ccc(O)c(O)c1 1294103097 GNCLLLLUHISBEP-UHFFFAOYSA-N 314.341 1.915 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1nsnc1O 1469105279 YFNRULJFEVEFRU-JTQLQIEISA-N 320.418 1.979 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](CO)[C@@H](O)C1 1625064650 BAQRNHXMAKSTBY-UFBFGSQYSA-N 323.370 1.128 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](c1ccccc1)c1nc[nH]n1 1567190877 QEPUWEZVSVCYRL-INIZCTEOSA-N 324.340 1.664 10 10 DDCE CC(=O)Nc1ccc(NC(=O)c2c(F)ccc(O)c2O)nc1 1654480497 HTKARJNJSGQQJJ-UHFFFAOYSA-N 305.265 1.843 10 10 DDCE Cc1cc(C(N)=O)ccc1NC(=O)Cc1ccc(O)c(O)c1 1583959985 FWFWTBKZUPLMID-UHFFFAOYSA-N 300.314 1.686 10 10 DDCE NCc1ccc(N2CCC(C(N)=O)CC2)c(C(F)(F)F)c1 163657635 KGYYKXJHHNSUQM-UHFFFAOYSA-N 301.312 1.866 10 10 DDCE COc1cc(C)cc(CN2CCS(=O)(=O)C(C)(C)C2)c1O 164484291 CHFVEHMCEGBJSB-UHFFFAOYSA-N 313.419 1.718 10 10 DDCE CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCOC1 155680252 RUKRXECEVRUCLW-INIZCTEOSA-N 301.390 1.993 10 10 DDCE COc1cc(Cl)cc(CNC[C@@H]2CCS2(=O)=O)c1O 1972338119 JPDJPSKTYSUVDL-JTQLQIEISA-N 305.783 1.331 10 10 DDCE C[C@@H](NS(=O)(=O)CCOc1ccc(N)cc1)C1CSC1 2146090499 WXBDSYBCKPBCET-SNVBAGLBSA-N 316.448 1.319 10 10 DDCE CCc1cccc(CNC[C@@H](O)CNC(=O)OC(C)(C)C)c1O 1985775988 PQSLLSWVFSDTFE-CQSZACIVSA-N 324.421 1.930 10 10 DDCE C[C@@H](N)c1ccc(N2CCNC(=O)C(F)(F)C2)cc1Cl 2146742754 VXQXTRPSPUGKCV-MRVPVSSYSA-N 303.740 1.931 10 10 DDCE CN(c1ccc(CN)c(C(F)(F)F)c1)C1CS(=O)(=O)C1 2152233459 HRFBPQJEILGJOW-UHFFFAOYSA-N 308.325 1.397 10 10 DDCE O=S(=O)(C[C@@H]1N[C@H]2CC[C@H]1C2)Nc1ccc(O)cc1Cl 2178691745 ONGQWSXVESZUBV-RVBZMBCESA-N 316.810 1.928 10 10 DDCE CCCS(=O)(=O)C[C@H](C)NCc1c(O)cccc1OC 2170595720 AVPGQPWVNPQOCJ-NSHDSACASA-N 301.408 1.704 10 10 DDCE CC1(C2CCN(C(=O)c3cc(O)c(O)c(O)c3)CC2)OCCO1 2188917556 XYBFMVJEKMOZGW-UHFFFAOYSA-N 323.345 1.419 10 10 DDCE NC(=O)[C@H]1CCC[C@H]1NCc1c(O)cccc1Br 2053777131 LLYMFZDHKYPOCA-GZMMTYOYSA-N 313.195 1.898 10 10 DDCE CNCc1ccc(N2C[C@@H]3[C@H](CO)[C@@H]3C2)c(Br)c1 2061579799 JDCBAMQMLFCBGU-ZSBIGDGJSA-N 311.223 1.843 10 10 DDCE NCc1ccc(N2CC[C@H](O)C[C@H]2CO)cc1Br 2080497638 VVQQKLCTZCMURF-RYUDHWBXSA-N 315.211 1.230 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N1CC(SC(F)(F)F)C1 2237484509 LUXBABCSWZMYOK-UHFFFAOYSA-N 309.265 1.881 10 10 DDCE CN1CC[C@H](CNCc2cc(Br)c(O)cc2O)C1 2256017528 SDRGLBJXVOAABS-SECBINFHSA-N 315.211 1.902 10 10 DDCE CCN(C(=O)C=Cc1cncc(C(=O)NC)c1)c1cccnc1 2297521717 GAWDDQMKHOFKJD-UHFFFAOYSA-N 310.357 1.903 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)c1c(Br)nnn1C 2300530707 VGJWUQPCSMMEGY-UHFFFAOYSA-N 302.136 1.350 10 10 DDCE C[C@@](Sc1nccs1)(C(=O)O)[C@@H]1CCCS(=O)(=O)C1 2351999579 ZVGYDCMCEZGHQH-KCJUWKMLSA-N 321.445 1.903 10 10 DDCE CC(C)(C)OC(=O)N(CCO)CCC(=O)NCCN=[N+]=[N-] 1891676783 NNCNTKUPMOGZJC-UHFFFAOYSA-N 301.347 1.032 10 10 DDCE CCNC(=O)C1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 301920710 KPXTZKKFHOPEJB-UHFFFAOYSA-N 309.322 1.184 10 10 DDCE CC(C)NC(=O)NCCN1CCN(Cc2ccccc2O)CC1 179565989 KQSPEHGGHBGDLG-UHFFFAOYSA-N 320.437 1.217 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCC[C@H](Cn3cncn3)C2)c1 171602807 UWSGLYWTJCEYQE-LBPRGKRZSA-N 317.349 1.804 10 10 DDCE COC(=O)C1CCN(C(=O)[C@@H](C)Cc2ccc(O)c(O)c2)CC1 170046958 KJTWUYMYWRSEIV-NSHDSACASA-N 321.373 1.688 10 10 DDCE Cc1ccc(C(=O)N2CC(NC(=O)C3CCC3)C2)c(O)c1O 189225279 ZYFQJCJMPXABCQ-UHFFFAOYSA-N 304.346 1.147 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H](CCO)C3)c(Cl)cc21 123545373 VLPGXZLHFOKALK-OTYXRUKQSA-N 309.797 1.761 10 10 DDCE Nc1ccc(O)c(CNS(=O)(=O)CCc2ccncc2)c1 37663239 GIFZABBNMNOXDY-UHFFFAOYSA-N 307.375 1.032 10 10 DDCE NCc1cccc(CNC(=O)Nc2cc(O)c(O)c(O)c2)c1 217278760 NNNQXRVQZHQJTN-UHFFFAOYSA-N 303.318 1.584 10 10 DDCE COc1cc(Cl)cc(CN2CC[C@H](OC)C[C@@H]2CN)c1O 229104909 WXSOGRSSJIDVAG-OLZOCXBDSA-N 314.813 1.992 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cccn(C)c2=O)cc1F 264230889 MGYLWLYLLOCSCW-UHFFFAOYSA-N 303.337 1.520 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(-c2noc(C3CC3)n2)c1 808523988 LRSAOQRNPQLQMZ-UHFFFAOYSA-N 314.297 1.929 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2C[C@H]3C[C@@H]3C2)c1 819795187 KCBAIMGEBJWZEZ-RKDXNWHRSA-N 310.375 1.292 10 10 DDCE Oc1cc2c(cc1CN1CC[C@H]([C@@H](O)C(F)(F)F)C1)OCO2 825123816 CQHKJJDZKGNQDG-ISVAXAHUSA-N 319.279 1.866 10 10 DDCE Cc1c(C[C@@H](CN)CNCCc2ccc(N)cc2)cnn1C 903918027 QPAVIAXBUBLNKV-HNNXBMFYSA-N 301.438 1.260 10 10 DDCE COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\N)SC 584904552 GJJNAJZWODKVBE-OUKQBFOZSA-N 305.359 1.486 10 10 DDCE C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)CN1C)c1ccc(N(C)C)cc1 907494031 WWSFHTBZWGCFKN-XGWLTEMNSA-N 305.422 1.385 10 10 DDCE Cn1nnc2c1C[C@@H](NC(=O)NCc1c(O)cccc1F)CC2 927866474 DBSPBCXSTDMDMG-VIFPVBQESA-N 319.340 1.017 10 10 DDCE O[C@@]1(CCNCc2ccc(N3CCOCC3)c(F)c2)CCOC1 846048641 GZWLMZAJMIWQPW-KRWDZBQOSA-N 324.396 1.293 10 10 DDCE CN1CCOC[C@H]1CNCc1ccc(N2CCOCC2)c(F)c1 858276684 VEYHGOSRKRWYQF-OAHLLOKOSA-N 323.412 1.083 10 10 DDCE C[C@]1(C(F)F)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1 856499584 FTUUWOGPRJOMNY-UYWPIULCSA-N 313.300 1.994 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)/C=C/c3ccncn3)C2)cc1 855223570 AEWIASCKASLRRN-HYNJPGQWSA-N 324.384 1.894 10 10 DDCE Cc1ccc(C(=O)NCC2(CC(N)=O)CCCCC2)c(O)c1O 856304325 SXAWCIRFLCUSAG-UHFFFAOYSA-N 320.389 1.962 10 10 DDCE CN1CCC[C@@H](C(=O)NCc2ccc3cccnc3c2O)C1=O 862026018 FCWWFLQMCWJKLF-ZDUSSCGKSA-N 313.357 1.425 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCOC1(C)C 1118744914 UGNZYLPWOJAUIL-ZDUSSCGKSA-N 320.389 1.282 10 10 DDCE COC(=O)c1coc(C(=O)NCc2ccc(OC)cc2O)c1 794377395 HYLDKXYNRZOILZ-UHFFFAOYSA-N 305.286 1.710 10 10 DDCE Fc1cc(CNCCCN2CCC2)ccc1N1CCOCC1 1332947507 ZABSDKVNKQIHLQ-UHFFFAOYSA-N 307.413 1.848 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2CC2(C)C)cc1C 1272398019 LIVVVIKGRIMHRD-GJZGRUSLSA-N 320.433 1.616 10 10 DDCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nn1cnnc1 1446849365 NTNVGUNTYHHAMY-UHFFFAOYSA-N 309.329 1.882 10 10 DDCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)N1CCCC[C@H]1C 1292968455 PQAPHWWTANWPDJ-VXGBXAGGSA-N 320.389 1.546 10 10 DDCE Cn1ncnc1CCCNC(=O)c1ccc(N=NC(N)=O)cc1 1299934253 CBSFPVXEDFCQFQ-UHFFFAOYSA-N 315.337 1.340 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@]2(CCO)CCOC2)cc1 1618014990 QKRFSBCQDHFADS-CQSZACIVSA-N 306.322 1.120 10 10 DDCE CCc1nc(O)c(C(=O)NCc2cccc(O)c2O)cc1C 1471642277 QPNYBRADPSSGPV-UHFFFAOYSA-N 302.330 1.999 10 10 DDCE O=C(NCCc1ccc(O)c(CO)c1)c1cccc(O)c1O 1637051678 MQOANQHYLSEYQG-UHFFFAOYSA-N 303.314 1.268 10 10 DDCE C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)NCCF 1633922671 KJANGQXUCHGUSZ-MRVPVSSYSA-N 309.301 1.053 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@@]1([C@H]2CCCCO2)CCCO1 1645366624 VWTSSBFQMMSVAO-WBVHZDCISA-N 321.373 1.832 10 10 DDCE Nc1ccc(OC[C@H](O)CN2CCCC[C@@H]2C2OCCO2)cc1 2145809568 NANFGZGVFXPLPT-GDBMZVCRSA-N 322.405 1.236 10 10 DDCE Cc1ccc(O)c([C@H](C)N(C)CCN(C)S(C)(=O)=O)c1 2146943663 NWGCNFMUHVFKNI-LBPRGKRZSA-N 300.424 1.585 10 10 DDCE NCc1ccc(N2CC=C[C@H]2CO)c(F)c1Br 2007499418 YGWUGUVDGHLQAC-VIFPVBQESA-N 301.159 1.784 10 10 DDCE NCc1ccc(N2C[C@@H](F)[C@@H](CO)C2)cc1Br 2008020751 WJURIKLTXMOVDD-BXKDBHETSA-N 303.175 1.674 10 10 DDCE CNCc1ccc(N2C[C@H]3C(CO)[C@@H]3C2)c(Br)c1 2030272487 JDCBAMQMLFCBGU-GHMZBOCLSA-N 311.223 1.843 10 10 DDCE Oc1c(Br)cccc1CN1C[C@H]2OCCO[C@@H]2C1 2032425274 XJCPWAMSXSAWQZ-VXGBXAGGSA-N 314.179 1.754 10 10 DDCE C[C@@H](O)c1ccc(N2CC(NS(C)(=O)=O)C2)cc1Cl 703006064 IMYKVPLTZNWLFY-MRVPVSSYSA-N 304.799 1.131 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1cccc(Cl)c1O 697037359 OWSDJADWOZQUGS-RYUDHWBXSA-N 319.810 1.289 10 10 DDCE C[C@@]1(CNCc2cc(Br)ccc2O)CCNC1=O 2080467770 GHYBNQHRCXOKTK-ZDUSSCGKSA-N 313.195 1.771 10 10 DDCE CN(C(=O)CN1CCC[C@@H]1C1OCCO1)c1ccc(N)cc1 2089609575 QHKKNCSWWQZEKG-CQSZACIVSA-N 305.378 1.069 10 10 DDCE Oc1ccc(CNCC2CCC3(CC2)OCCO3)c(O)c1O 2090780136 SSECNRMHAJVSPR-UHFFFAOYSA-N 309.362 1.826 10 10 DDCE CCCN(CCS(C)(=O)=O)c1ccc(CN)c(OC)c1 2204552165 YREUHBISXAXXBD-UHFFFAOYSA-N 300.424 1.415 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@H]2C[C@H](CN)C2)s1 2257098363 WRYJWFPRTHXQBZ-XWEPSHTISA-N 307.466 1.022 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@H]2[C@@H](O)CO)c(Br)c1 2258345903 NCIYCWBEXCVWON-JCOFBHIZSA-N 315.211 1.401 10 10 DDCE COC(=O)c1csc(S(=O)(=O)Nc2ccc(N)cc2)c1 2280244733 CHDLQPPIPJJVMP-UHFFFAOYSA-N 312.372 1.918 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@H](C(=O)O)[C@H]2C)s1 2284496589 CPZPQMDXTMISAZ-APPZFPTMSA-N 315.420 1.870 10 10 DDCE COC(=O)c1ccc(N2NC(=O)C(=Cc3ccco3)C2=O)cc1 2297549649 WQEMNNNGMBEYDT-UHFFFAOYSA-N 312.281 1.528 10 10 DDCE CN[C@@H](C)c1ccc(N2C[C@@H](O)[C@H](O)C2)c(Br)c1 2308436383 DZFBXHRCJBSGTQ-ZEGGKSINSA-N 315.211 1.271 10 10 DDCE CN[C@@H](c1ccc2c(c1)CCCN2C)[C@@H]1CCS(=O)(=O)C1 50286269 KDKWWHFHKHWVBX-ZBFHGGJFSA-N 308.447 1.764 10 10 DDCE Cc1n[nH]c(C)c1CCNC(=O)[C@H](C)Cc1ccc(O)c(O)c1 170038512 FHMQEIWLOLFYLH-SNVBAGLBSA-N 317.389 1.975 10 10 DDCE CC(C)N1C[C@@H](C)[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 181184909 MKZFDDIBRVEDIL-FROLJDDGSA-N 304.390 1.956 10 10 DDCE COc1ccc(N2CCN(C(=O)N[C@@H](C)[C@@H](C)OC)CC2)cc1 188895251 ICCHBSRXJBSRAO-UONOGXRCSA-N 321.421 1.950 10 10 DDCE C[C@@H](N)c1ccc(N(C)C(CO)CO)c(Br)c1 383238759 DDXVRIWJRJPEBG-MRVPVSSYSA-N 303.200 1.258 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CCOCC3)c(Br)cc21 92774754 OLKNKMFMZFQJBC-NSHDSACASA-N 312.167 1.238 10 10 DDCE COc1nnc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 282904668 UOAAHEMFYFOGKY-ZETCQYMHSA-N 324.362 1.711 10 10 DDCE C[C@@H]1CC[C@@H](O)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 817285851 ORORKVXWGZSVDW-RHSMWYFYSA-N 319.449 1.556 10 10 DDCE COc1cccc(CNC(=O)Cc2cn(C)nc2Cl)c1O 815834686 ULJWTLIHDRZEQA-UHFFFAOYSA-N 309.753 1.647 10 10 DDCE CCC(=O)N1CCN(Cc2ccc(N3CCOCC3)cc2)C1 822504605 XACWTOCDLZFZEU-UHFFFAOYSA-N 303.406 1.535 10 10 DDCE Cc1cc(Br)c(O)c(CN2CCOC[C@H](O)C2)c1 824625261 HWSOTHUMYKNQDG-LLVKDONJSA-N 316.195 1.656 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cnn(C)n1 822809088 PBFHSKYZCUGURR-UHFFFAOYSA-N 315.421 1.862 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CC2CC1(C(=O)O)C2 909042585 HQFHXYBJVUPZCU-UHFFFAOYSA-N 317.389 1.820 10 10 DDCE O=C(O)[C@@H]1CC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 901621837 KUVUDKRNSFQMAN-CHWSQXEVSA-N 303.358 1.998 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=S)NCCN(C)C)C2)cc1 849271119 APKZCGZPMSBDMF-CYBMUJFWSA-N 322.478 1.300 10 10 DDCE O=C1NCCCc2occ(C(=O)N3Cc4cccc(O)c4C3)c21 913726767 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318.417 1.953 10 10 DDCE CC[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 795493833 LSNDGVNZNALUJW-SJORKVTESA-N 318.417 1.955 10 10 DDCE CN1CCN(c2ccc(CN(C)Cc3cc[nH]n3)cc2F)CC1 1319715011 ASDVYGSZVMTAMX-UHFFFAOYSA-N 317.412 1.933 10 10 DDCE CO[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@@H]1C 1329471444 VXHUTTJXTRJYOR-NHYWBVRUSA-N 318.373 1.118 10 10 DDCE C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]1C1CC1)c1ccc(N(C)C)cc1 1329311729 IYWUJYZHEZEEIY-KNXALSJPSA-N 315.417 1.845 10 10 DDCE CCN(CCC1CC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329412083 KPXCBQZCKYLGMW-UHFFFAOYSA-N 302.374 1.883 10 10 DDCE CN1CCN(c2ccc(CN3CC[C@@H](O)C3(C)C)cc2F)CC1 1323997576 QJOREHGQPFJISS-QGZVFWFLSA-N 321.440 1.923 10 10 DDCE COC[C@@H]1CC[C@H](Sc2nccs2)C[C@@]1(N)C(N)=O 2127250911 KDNZAFUBYAWPJL-AUTRQRHGSA-N 301.437 1.233 10 10 DDCE COc1ccc(CN[C@H](C)CN(C)C(=O)c2cn[nH]c2)cc1C 1277766565 IEQIXXJLLCNEJV-CYBMUJFWSA-N 316.405 1.977 10 10 DDCE Cc1nnc(CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 1296246388 LXCYJHXHHXPOLL-SECBINFHSA-N 305.334 1.469 10 10 DDCE 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1.575 10 10 DDCE CC(C)(C)OC(=O)N1CC(=O)N[C@H](c2ccc(N)cc2O)C1 1953008396 GMSPLJVJGNDWAU-NSHDSACASA-N 307.350 1.382 10 10 DDCE COc1cc(Br)cc([C@H]2CNCC(=O)N2C)c1O 1952521017 SLXAUMPXMFYWQT-SECBINFHSA-N 315.167 1.266 10 10 DDCE CN(C)C1(CS(=O)(=O)NCc2c(O)cccc2F)CC1 921451928 YVGITXJQVVOOEU-UHFFFAOYSA-N 302.371 1.045 10 10 DDCE C[C@H](N[C@@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1O 858489214 WMNMVPARMOWPEH-QWHCGFSZSA-N 324.388 1.759 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=O)NCC3COC3)C2)cc1 858551389 DFALZOPGWFZOFH-ZDUSSCGKSA-N 319.405 1.467 10 10 DDCE CC(=O)N1CCO[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 935466535 ZILPJGYQNNYXSB-LRDDRELGSA-N 319.405 1.177 10 10 DDCE C[C@H](NC(=O)NC[C@@H](C)S(C)(=O)=O)c1ccccc1O 868438603 MJSNLWCOEYXBNX-ZJUUUORDSA-N 300.380 1.186 10 10 DDCE O=C(NCC[C@@H]1CC[C@H]2C[C@@H]12)C(=O)N1Cc2cccc(O)c2C1 1119903567 CQVUJYJPIRFJHV-OBJOEFQTSA-N 314.385 1.787 10 10 DDCE COCn1nc(C)c(S(=O)(=O)Nc2ccc(O)cc2)c1C 776431558 RDFQRYXDEVPZLO-UHFFFAOYSA-N 311.363 1.610 10 10 DDCE 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10 10 DDCE CC1(C)C(=O)NC[C@H]1NCc1cc(Br)ccc1O 2255122376 GWZAOULJYMHHCT-LLVKDONJSA-N 313.195 1.769 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](C(=O)O)C(C)(C)F)s1 2284542907 BZSVQMHFRSAIHD-SSDOTTSWSA-N 321.399 1.866 10 10 DDCE CC[C@H]1COC[C@]1(NCc1cnc(SC)s1)C(=O)O 2348125617 INMHBHDWBCAFES-QPUJVOFHSA-N 302.421 1.834 10 10 DDCE CCOC[C@H](O)CNCc1cccc(Br)c1O 310128592 XKZLRNXKTQEOTD-SNVBAGLBSA-N 304.184 1.642 10 10 DDCE C[C@H](N)c1ccc(N(C)C(CO)CO)cc1Br 310374303 YONGAQSNQMBAOS-QMMMGPOBSA-N 303.200 1.258 10 10 DDCE CC(C)(C)OC(=O)N[C@@](C)(C(=O)O)c1c(O)cc(O)cc1O 1951735352 ANSJGMDPEHWIKC-CQSZACIVSA-N 313.306 1.628 10 10 DDCE Cc1ccc(S(=O)(=O)Nc2ccc(N)cc2)cc1C(N)=O 36283902 ZHZSUQWGOIIRFY-UHFFFAOYSA-N 305.359 1.477 10 10 DDCE C[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc(N)cc1 41023410 PHKWURAYRLMVGU-ZETCQYMHSA-N 304.379 1.343 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCCOC1 264386199 MHYKSUTYFNVGKB-HNNXBMFYSA-N 319.405 1.501 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C 376242861 YVOORICBXHEQOE-JCKWVBRZSA-N 318.417 1.883 10 10 DDCE Cn1cnc(C(=O)NCc2cc(Br)ccc2O)c1 804741567 ZTYXGIGVLMGCBO-UHFFFAOYSA-N 310.151 1.818 10 10 DDCE O=C(N[C@]1(CO)CCOC1)c1cc2cc(O)c(O)cc2s1 907357602 ZPCWKDTVKSYLFG-AWEZNQCLSA-N 309.343 1.194 10 10 DDCE C[C@@H]1O[C@H](C)C[C@H]1C(=O)N(CC(=O)O)Cc1ccccc1O 911492434 GACZHEQMDMRECB-NTZNESFSSA-N 307.346 1.619 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCN([C@@H]3CCNC3)CC2)cc1 843124533 GOTPMAZTHLCXFB-GNAXCBTBSA-N 314.477 1.745 10 10 DDCE COc1ccc(N2CC[C@@H](NS(=O)(=O)CC3CCC3)C2)cc1 849416368 PYYXLVPOPIUPBB-CQSZACIVSA-N 324.446 1.993 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CCN3C)C2)cc1 923182872 IKZJQSHNKBXNTK-HIFRSBDPSA-N 318.421 1.277 10 10 DDCE Oc1cccc(Br)c1CNC[C@@H](O)[C@H]1CCCO1 858226998 SIKHEPHGMLLFMG-CHWSQXEVSA-N 316.195 1.784 10 10 DDCE C[C@H]1CC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CN1 863485149 VMEQCBHVTKRZCU-DZGCQCFKSA-N 307.413 1.892 10 10 DDCE COC1(CS(=O)(=O)NCc2ccc(O)cc2O)CCCC1 867416676 FOUKNDGHYXQNEH-UHFFFAOYSA-N 315.391 1.476 10 10 DDCE COc1cc(Cl)cc([C@@H]2C=C(C(=O)O)NC(=S)N2)c1O 76260796 CBEIPSZCRFLIQI-ZETCQYMHSA-N 314.750 1.542 10 10 DDCE COc1cc(C)cc(CN[C@H](CO)C[C@H](O)C(C)(C)C)c1O 894691287 TYBLJFKJKRAYKX-ZFWWWQNUSA-N 311.422 1.957 10 10 DDCE COc1cccc(CN2C[C@@H](O)CC3(CCOCC3)C2)c1O 895722612 XSPWGSIVGUPBOK-AWEZNQCLSA-N 307.390 1.764 10 10 DDCE COc1ccc(CNS(=O)(=O)N2CCC[C@@H]2C)c(O)c1 795362713 QCIIOOKRTBGKHO-JTQLQIEISA-N 300.380 1.220 10 10 DDCE COc1ncc(COC(=O)/C=C\c2ccc(O)c(O)c2)c(C)n1 798638742 ZHYMBIJLEBADPN-XQRVVYSFSA-N 316.313 1.961 10 10 DDCE COc1cc2c(cc1C(=O)NCc1ccc(O)cc1O)OCO2 1142533468 LHLDIEGIOJHTGI-UHFFFAOYSA-N 317.297 1.765 10 10 DDCE CN(C)C(=O)c1cccc(C(=O)NCc2cc(O)ccc2O)c1 1303225547 LUVUPKFYYRLMAY-UHFFFAOYSA-N 314.341 1.730 10 10 DDCE CCN=c1[nH]cc(Br)c(=NCc2ccccc2O)[nH]1 2117086528 UMGLHVVWYGDUBH-UHFFFAOYSA-N 323.194 1.832 10 10 DDCE C[C@H](N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1)C1(C)CC1 1332023977 XBNUNHYOAXOXJU-NSHDSACASA-N 302.374 1.881 10 10 DDCE CC(C)OC(=O)NS(=O)(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912180572 CMJMESWPXUPKQZ-VIFPVBQESA-N 305.360 1.388 10 10 DDCE O=C(CNC(=O)Cc1ccc(O)c(O)c1)NCc1ccccc1 1464126016 ALEODRAMHBWPBX-UHFFFAOYSA-N 314.341 1.073 10 10 DDCE C[C@H](NC(=O)/C=C/c1ccc(C(N)=O)o1)c1ccccc1O 1471195566 ZVGAADWJZKTVHK-PCYYEKQGSA-N 300.314 1.975 10 10 DDCE Nc1ccc(CN2CCN([C@@H]3CN4CCC3CC4)CC2)cc1 212465446 BFTGEDQPVDTPJX-GOSISDBHSA-N 300.450 1.481 10 10 DDCE COC[C@H](C)C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1 1480106868 NTOGGVCHPKCJBE-HOCLYGCPSA-N 320.433 1.977 10 10 DDCE Cn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1556421467 VYSPJHFGNCIIQK-ZDUSSCGKSA-N 315.373 1.780 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2ccncn2)cc1C 1716004598 HLHCODCTINWUQE-ZDUSSCGKSA-N 314.389 1.702 10 10 DDCE CCNC(=O)C1(CNC(=O)Cc2ccc(O)c(O)c2)CCC1 1639885491 GERTVGVSWOFZSZ-UHFFFAOYSA-N 306.362 1.063 10 10 DDCE CCS(=O)(=O)N(C)CCN[C@H](C)c1cc(O)ccc1O 1926344547 LKINXPHYLVYMHD-SNVBAGLBSA-N 302.396 1.030 10 10 DDCE c1cc(N2CCOCC2)ccc1NN=NCCN1CCOCC1 1860493833 FBYXYACMJBWYQA-UHFFFAOYSA-N 319.409 1.635 10 10 DDCE OC[C@H]1CO[C@@H](CNCc2cccc(Br)c2O)C1 1967894922 IENSGICSTGAVDL-GXSJLCMTSA-N 316.195 1.642 10 10 DDCE NC(=O)N[C@H]1CCN(Cc2cc(Br)ccc2O)C1 271400242 VNDZXRJCDHPUBC-JTQLQIEISA-N 314.183 1.397 10 10 DDCE COc1cccc(O)c1CN(C)[C@@H](C)CCS(C)(=O)=O 2160744961 ZEBIQANMOKLHIT-NSHDSACASA-N 301.408 1.656 10 10 DDCE CN(C)[C@H]1CN(c2ccc(CN)c(Br)c2)C[C@H]1O 2029437645 SBEDANCUDGREQZ-QWHCGFSZSA-N 314.227 1.019 10 10 DDCE CN[C@H](C)c1ccc(N2CCS(=O)(=O)[C@H](C)C2)c(F)c1 707157865 AKICZLJOFYVFKD-GHMZBOCLSA-N 300.399 1.729 10 10 DDCE COC[C@](C)(CO)N(C)c1ccc(CN)c(Br)c1 689751121 JQXDISTYYWGLHJ-ZDUSSCGKSA-N 317.227 1.741 10 10 DDCE CN1CC[C@H](N(C)c2ccc(CN)c(Br)c2)C1=O 690232599 KMIYCGHZEKFDEU-LBPRGKRZSA-N 312.211 1.575 10 10 DDCE C[C@H](CC(F)F)NS(=O)(=O)CCOc1ccc(N)cc1 380793907 VRESQQPMIVIYOU-SECBINFHSA-N 308.350 1.611 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H](C)c3ncc(C)s3)c2n1 2064160188 WQKCRAQWTHNWFH-SECBINFHSA-N 317.374 1.999 10 10 DDCE COc1ccc([C@@H](C(C)C)n2nc(C)c(C(N)=O)c2N)c(O)c1 2079955634 DFGXWHDYQNJBRJ-CQSZACIVSA-N 318.377 1.832 10 10 DDCE CNCc1ccc(N2CC([C@H](F)CO)C2)cc1Br 2048037962 CXENNNOHERWGAZ-CYBMUJFWSA-N 317.202 1.935 10 10 DDCE NC(=O)CN(Cc1ccc(N)cc1)CC1(Br)CC1 2049206981 MHJPZKKCRRTPKR-UHFFFAOYSA-N 312.211 1.484 10 10 DDCE C[C@](NCCN=[N+]=[N-])(C(N)=O)c1ccncc1Br 2056526177 MPYHWVZMWKTEOX-SNVBAGLBSA-N 313.159 1.445 10 10 DDCE COc1cc(N)c(N2CCC(C3OCCO3)CC2)cc1OC 2089590510 DBFDDJXHCNQHKU-UHFFFAOYSA-N 308.378 1.875 10 10 DDCE COc1ccc(Br)c(CN(C)OCC(=O)O)c1O 2220455952 HSXUHSNZVHTGNE-UHFFFAOYSA-N 320.139 1.611 10 10 DDCE COCCOCCOCCSc1ncc([C@H](C)N)s1 2231737696 GESKFYRQISUTGM-JTQLQIEISA-N 306.453 1.935 10 10 DDCE CN1CCN(C2=NC(=O)C(=Cc3cccc(O)c3)S2)CC1 2297325996 YQLUYXMHRBFKIO-UHFFFAOYSA-N 303.387 1.610 10 10 DDCE Cc1ccc(CN2CCNC(=O)[C@@H]2C)c(O)c1Br 2327603578 RHSAEXDNOSQISI-VIFPVBQESA-N 313.195 1.783 10 10 DDCE CCc1sc(NN(C)S(=O)(=O)C(C)C)nc1C(=O)O 2339731464 AYCBABLHXGCMRS-UHFFFAOYSA-N 307.397 1.401 10 10 DDCE COCCN(C)c1cc2c(cc1Br)[C@H](N)C(=O)N2 118590007 CCWXUNHXJAHZAG-NSHDSACASA-N 314.183 1.484 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NCCn2cc(C)cn2)c1 118077938 AFUQRJSXCNSLMO-LBPRGKRZSA-N 318.377 1.966 10 10 DDCE CCOC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 22417322 KCUMGKHKVHGCEN-MRXNPFEDSA-N 321.421 1.872 10 10 DDCE CCOC(=O)Nc1cc(N2CCN(C=O)CC2)ccc1OC 62192165 WEJCAPZTIRYGMO-UHFFFAOYSA-N 307.350 1.542 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H]2CCC[C@H](C1)C2O 181100363 MNGQHTCNZOZREQ-BILYSDMCSA-N 303.358 1.730 10 10 DDCE CN(C)CCOc1cccc2nc(Nc3ccc(N)cc3)nn12 74376231 WJZRSJKMBCCNFJ-UHFFFAOYSA-N 312.377 1.996 10 10 DDCE Cc1cccc(S(=O)(=O)CC(=O)Nc2ccc(N)cc2)c1 40696387 BBQKEWDSOJXFLM-UHFFFAOYSA-N 304.371 1.990 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCO[C@@H](C3CC3)C2)cc1 375331746 LWDVUEDBUSBMOD-QGZVFWFLSA-N 317.433 1.480 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 808523208 LAZZOWRRRFWILV-UHFFFAOYSA-N 313.313 1.664 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Nc3ncn(C)n3)C2)cc1 823559667 OAHNEMUPPNTTHG-NSHDSACASA-N 316.365 1.224 10 10 DDCE CC(C)(O)[C@H](O)C(=O)N(Cc1ccco1)Cc1ccccc1O 901054121 BAXMKJJRCACTSG-OAHLLOKOSA-N 319.357 1.646 10 10 DDCE Cn1nccc1[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O 905735818 OTHUFVKBPNNEJU-GOEBONIOSA-N 315.373 1.889 10 10 DDCE CCc1noc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 902697039 QWTVNVNTXYXHQR-NSHDSACASA-N 316.361 1.649 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@H](O)CN2CCCC2)cc1 835037456 WHBJZJDDRWXWHZ-QWNKOJSDSA-N 303.450 1.812 10 10 DDCE CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1893864853 QOOGLJSPRTZQMN-IJLUTSLNSA-N 312.410 1.945 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)Nc1cncc(C(N)=O)n1 840385301 UWAZACYNPZYSSE-LBPRGKRZSA-N 313.405 1.993 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@]3(CCSC3)C1)[C@H](O)CO2 842620794 ULQIKLQFDCELCU-GDBMZVCRSA-N 323.414 1.526 10 10 DDCE CCn1nncc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855227278 UWTHCXGJRDETKX-LBPRGKRZSA-N 315.377 1.315 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H](O)C[C@@H]2CO)c(Br)c1 698117149 UGJDGSIHRTWUKW-JMJZKYOTSA-N 315.211 1.401 10 10 DDCE COc1cc(O)c(CN2C[C@]3(C)CNC[C@]3(C)C2)cc1OC 863650919 FAFTWZAYFQAMCO-CALCHBBNSA-N 306.406 1.841 10 10 DDCE OC[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCOC1 930719743 DPYHZKZYCSHXBL-SJLPKXTDSA-N 320.433 1.400 10 10 DDCE CCOC(=O)CN(C(=O)c1ccc(C)c(O)c1O)C1CCC1 768602898 CLQUVNXRIRGNKX-UHFFFAOYSA-N 307.346 1.964 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCCNC1=O 764142625 HRUVKNGMVXWXHA-MRXNPFEDSA-N 303.406 1.234 10 10 DDCE COC(=O)[C@@H]1O[C@@H](C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C 864573052 DLZDMJYPBNMCGK-KCPJHIHWSA-N 320.389 1.335 10 10 DDCE COC1=C(C(=O)O)NC(=S)N[C@H]1c1cc(Cl)ccc1O 76260401 GZSKHHNQDBWXMG-QMMMGPOBSA-N 314.750 1.507 10 10 DDCE COc1ccc2c(c1)NC1(CCN(C)CC1)CN2CCCO 76931211 VKERXIIZOJGCEN-UHFFFAOYSA-N 305.422 1.774 10 10 DDCE CCCCC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OC 1137246712 KFUJAHZYYOMDSO-LBPRGKRZSA-N 309.362 1.878 10 10 DDCE Cc1nnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1C 1137824466 VHICTTXWCRGOGE-UHFFFAOYSA-N 318.358 1.679 10 10 DDCE CC(C)(C)[C@@H](O)C[C@H](CO)NCc1cc([N+](=O)[O-])ccc1O 790619653 QRDVDDUGUOZJKK-RISCZKNCSA-N 312.366 1.548 10 10 DDCE Cn1c(=O)n(C)c2cc(OC(=O)c3cccc(O)c3O)ccc21 794163744 FUWOOYZMEFBYCN-UHFFFAOYSA-N 314.297 1.507 10 10 DDCE CN(C)c1ccc([C@H](N)[C@H](O)CNC(=O)OC(C)(C)C)cc1 1959562352 LDSWKLUXINCUAK-KGLIPLIRSA-N 309.410 1.638 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccns1 1338838419 OLTXAKMJOGZBLS-UHFFFAOYSA-N 319.386 1.166 10 10 DDCE CSCC[C@H](NC(N)=O)C(=O)N[C@@H](C)c1ccccc1O 1454817877 BNBNJMUMNPJEOO-ONGXEEELSA-N 311.407 1.359 10 10 DDCE O=C(CNC(=O)c1c(F)ccc(O)c1O)NCc1ccccc1 1457555692 KIXXIUQPWDZURT-UHFFFAOYSA-N 318.304 1.283 10 10 DDCE O=C(CCNC(=O)c1cccs1)NCc1ccc(O)cc1O 1299569127 BGMOGBPZEHGDPA-UHFFFAOYSA-N 320.370 1.596 10 10 DDCE CC(=O)C(=O)C1(O)CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1919328172 RQILIGGJASTYPY-UHFFFAOYSA-N 311.378 1.687 10 10 DDCE CN(C)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cn1 1540757761 RKEJTBOUKICCKM-UHFFFAOYSA-N 301.346 1.418 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@H](O)Cc1ccccc1Cl 1558175194 HLMTXFUPFUJDQS-HNNXBMFYSA-N 321.760 1.971 10 10 DDCE C[C@@H](CN(C)CCF)NC(=O)c1ccc(N=NC(N)=O)cc1 1716509011 UYZPBYWDNYJPSK-JTQLQIEISA-N 309.345 1.869 10 10 DDCE Cc1cn2c(n1)C[C@H](C(=O)NCc1c(O)cccc1O)CC2 1635847745 UFBGWDTWQVBUJB-LLVKDONJSA-N 301.346 1.482 10 10 DDCE CC1(C)C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(=O)O1 1566507150 NTLQWLPRMLIUKG-JTQLQIEISA-N 304.306 1.673 10 10 DDCE CC(C)(C)[C@H](NC(N)=O)C(=O)NCc1cccc(Cl)c1O 1648609470 ZGCKXTKHCVULBD-LLVKDONJSA-N 313.785 1.745 10 10 DDCE O=C(CNC(=O)c1ccccc1)NCc1c(O)cccc1F 1652295656 NYFOWFWUVZPCHT-UHFFFAOYSA-N 302.305 1.578 10 10 DDCE Cc1noc2nc(C)n(CCOc3ccc(N)cc3)c(=O)c12 586032659 QTIHVXHMCLMFGF-UHFFFAOYSA-N 300.318 1.663 10 10 DDCE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cccc(O)c2O)C1 1963887639 HPTJOATZYGJBEU-JQWIXIFHSA-N 307.346 1.711 10 10 DDCE CNCc1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(Cl)c1 2145069992 FLPOHNVCIGJLFY-SMDDNHRTSA-N 314.838 1.683 10 10 DDCE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2ccc(O)c(O)c2)C1 1982313358 IRSFNERXKYZQTA-UHFFFAOYSA-N 322.361 1.789 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1ccsc1CO 2157800344 NYHJGXSWXLBATN-UHFFFAOYSA-N 313.400 1.767 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H](F)C3)c(Br)cc21 689855260 LKVXWDVKLMSWFS-KBUNVGBDSA-N 314.158 1.949 10 10 DDCE CNC(=O)C1CN(c2ccc([C@H](C)N)c(Br)c2)C1 723151151 UDKUKFPPTAKUJO-QMMMGPOBSA-N 312.211 1.651 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)c2n1 2062994011 AYIVTTFYPTYLQH-OASPWFOLSA-N 316.361 1.287 10 10 DDCE C[C@@H](c1cc([N+](=O)[O-])ccc1O)n1cc(C(=O)NC2CC2)cn1 2069943200 UULUNKBCXHZTIE-VIFPVBQESA-N 316.317 1.998 10 10 DDCE CCOc1cccc(CN[C@H](C)[C@H](C)S(C)(=O)=O)c1O 2170597344 ODVZHPRROVILFG-MNOVXSKESA-N 301.408 1.702 10 10 DDCE NCC[C@H]1CN(Cc2c(O)cccc2Br)CCO1 2055859663 NRQUJGDDRITFIO-JTQLQIEISA-N 315.211 1.704 10 10 DDCE O=C1N[C@@H]2CN(c3ccc(CO)cc3Br)C[C@H]2O1 2056810680 BPMNERXMDKTREM-MWLCHTKSSA-N 313.151 1.238 10 10 DDCE CC(C)(C)OC(=O)NCCCN(CCO)CCCN=[N+]=[N-] 2241425903 RFDLWUPNOMIPKZ-UHFFFAOYSA-N 301.391 1.896 10 10 DDCE CN(C)S(=O)(=O)[C@H]1CCN(Cc2cc(Cl)ccc2O)C1 2279280329 KFJUDLAPEOEMKF-LBPRGKRZSA-N 318.826 1.511 10 10 DDCE COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccoc2)C1=O 2297327053 OQJVRRWRMCTHRB-UHFFFAOYSA-N 312.281 1.955 10 10 DDCE Nc1ccc(N2C(=O)[C@@H]3COC[C@@H]3C2=O)cc1Br 2316472683 OFYJAAGWAGHTNN-OCAPTIKFSA-N 311.135 1.167 10 10 DDCE CN(Cc1ccc(N)cc1)Cc1nc(Br)nn1C 2328414031 WJTFHEBQXFFLDI-UHFFFAOYSA-N 310.199 1.792 10 10 DDCE CS[C@@H]1CC[C@H]1N(C)S(=O)(=O)Cc1ccc(N)cc1 2353330475 RXFYVCHXVXIORI-CHWSQXEVSA-N 300.449 1.924 10 10 DDCE CCN[C@H](C)c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 62084931 XHSJPOZMQVDVRD-CYBMUJFWSA-N 311.451 1.439 10 10 DDCE CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCc1ccc(N(C)C)cc1 61077401 YAZTVTQDEWHLLB-RISCZKNCSA-N 306.410 1.452 10 10 DDCE COc1ccc(O)c(CN2CCC[C@H](Cn3cncn3)C2)c1 183406177 LRAQDJMHPMVCHF-ZDUSSCGKSA-N 302.378 1.905 10 10 DDCE O=C(O)CNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 38690516 BWKFLZCYESDCKX-UHFFFAOYSA-N 309.277 1.276 10 10 DDCE COc1ccc(N2CCOCC2)cc1NC(=O)[C@H]1CCCO1 41365018 BDCJBNKEXPRADM-OAHLLOKOSA-N 306.362 1.649 10 10 DDCE CC1(C)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[C@@H]1O 323536824 NGCVRWBDUYYNKU-ZDUSSCGKSA-N 321.333 1.523 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@H]([S@@](=O)CCc2ccc(N)cc2)C1 2367834893 VYHLVDJJVXPKCK-KSMMKXTCSA-N 315.460 1.526 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)CC1CC1 265027798 FDSPQIZDZVHREX-UHFFFAOYSA-N 324.446 1.695 10 10 DDCE CCOc1ccc(O)c(CN2CC[C@@H](OC)C[C@H]2C(=O)OC)c1 370365085 DBEJLZOLHJCBOJ-HIFRSBDPSA-N 323.389 1.943 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 808530819 DQWLFOAOJDTLTB-UHFFFAOYSA-N 304.258 1.320 10 10 DDCE CN(C[C@@H]1CCCN1C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 817131604 GOEKANMHHRFKGS-JTQLQIEISA-N 320.349 1.456 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CC12CC2 822755975 OUTITCYDFDDOSL-HNNXBMFYSA-N 301.390 1.875 10 10 DDCE OCC1(CO)CCN(Cc2ccc(N3CCCCC3)cc2)C1 827482537 WRMGUFZHVTZFCE-UHFFFAOYSA-N 304.434 1.854 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C1CN(C)CCN(C)C1 906714616 WCDZQNZWJGBIMI-UHFFFAOYSA-N 318.465 1.171 10 10 DDCE CN1CCCC[C@@H]1CN1CCN(C(=O)c2cc(O)cs2)CC1 732290357 VATHRGCJTBGBDU-CYBMUJFWSA-N 323.462 1.696 10 10 DDCE N[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)C(F)(F)F 830597598 PQXVAWDZDOINAX-GFCCVEGCSA-N 302.296 1.777 10 10 DDCE COC(=O)[C@@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 849322263 QCHKHXUNBKBICG-BBRMVZONSA-N 304.390 1.815 10 10 DDCE N[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)C12CCC2 925499826 ATUZRUFQIQSRBL-DLBZAZTESA-N 301.434 1.883 10 10 DDCE COC[C@H](CCNC(=O)N(C)Cc1ccc(N(C)C)cc1)OC 852449885 XXWVGFKYYBRWTR-INIZCTEOSA-N 323.437 1.946 10 10 DDCE Nc1ccc(NC(=O)C(=O)NCC[C@H]2CC2(Cl)Cl)cc1 857098660 KNUBPFJLTMNMIM-QMMMGPOBSA-N 316.188 1.907 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H](OC)C3CC3)C2)cc1 855226802 SDSYEJFKDSVZQD-XJKSGUPXSA-N 304.390 1.815 10 10 DDCE CCO[C@@H](C(=O)NCc1cc(OC)ccc1O)[C@@H]1CCOC1 866767804 XUMVMRPAIJMREQ-IAQYHMDHSA-N 309.362 1.459 10 10 DDCE Cc1ccc(C(=O)O[C@H]2CCN(C3CCC3)C2=O)c(O)c1O 869374995 NOGMODDINHSVOH-LBPRGKRZSA-N 305.330 1.716 10 10 DDCE COc1cc(C)cc(CN2CCN3C(=O)OCC[C@H]3C2)c1O 763314861 OVCHCUUQWZNYER-ZDUSSCGKSA-N 306.362 1.736 10 10 DDCE CCN(CC)c1ccc(CNC(=O)CCc2nn[nH]n2)cc1F 865635273 CENUIFBFTPEHQC-UHFFFAOYSA-N 320.372 1.434 10 10 DDCE Cn1ccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)n1 765718933 PJPYQIZQELGFGB-UHFFFAOYSA-N 311.389 1.796 10 10 DDCE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1O 876136008 YXZDJZNGCYKVSA-JTNHKYCSSA-N 322.361 1.331 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@@](C)(CO)CC(=O)O)cc1 1119615053 DPVSSBHGVYIKBX-CHYADLBTSA-N 306.406 1.829 10 10 DDCE CN(C)c1ccc(CNC(=O)Cc2ccc(C(N)=O)nc2)cc1 1124553767 VOIZPCWWJDSHBI-UHFFFAOYSA-N 312.373 1.105 10 10 DDCE COCCN(Cc1cc(OC)ccc1O)Cc1ccnn1C 787332573 QYLJDTZNXMAIRB-UHFFFAOYSA-N 305.378 1.783 10 10 DDCE O=C1NC(=O)[C@]2(CCCN(Cc3c(O)cccc3Cl)C2)N1 789769251 LUFPXDBEWPOZNU-CQSZACIVSA-N 309.753 1.220 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCC2(C1)OCCO2 1466787981 ARZKWYZXYSYODY-GFCCVEGCSA-N 307.346 1.442 10 10 DDCE CN1CCN(c2ccc(CNC(=O)Cc3ccon3)cc2)CC1 893608516 VVPQKDOYQOLCMQ-UHFFFAOYSA-N 314.389 1.285 10 10 DDCE NCc1ccc(N2CC[C@]3(CCCS3(=O)=O)C2)cc1Cl 709555354 QYSJYTJFCUEXBK-CQSZACIVSA-N 314.838 1.956 10 10 DDCE Cc1nc(C)c(CC(=O)NCc2ccc(O)cc2O)c(O)n1 1162272046 ZXZBQXFGAWHITI-UHFFFAOYSA-N 303.318 1.069 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccsc1 1346411125 ITIRBCSXHWLISX-UHFFFAOYSA-N 318.398 1.771 10 10 DDCE C[C@H](CNCCCF)NC(=O)c1ccc(N=NC(N)=O)cc1 1275045837 LEYHGJLJYIYROL-SNVBAGLBSA-N 309.345 1.917 10 10 DDCE CS(=O)(=O)c1ccsc1[C@@H](NCCCN=[N+]=[N-])C(=O)O 1912175266 KDWOQXRTXCJJKM-MRVPVSSYSA-N 318.380 1.567 10 10 DDCE C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1c(O)cccc1O 1456326613 YXVIHUOYKRLEQZ-BJOHPYRUSA-N 301.346 1.803 10 10 DDCE CCC(=O)NCCCNC(=O)c1ccc(N=NC(N)=O)cc1 1522808842 SXVCRPHFVTUCAA-UHFFFAOYSA-N 305.338 1.495 10 10 DDCE COc1cc(C(=O)NCc2ccc(O)cc2O)ccc1[N+](=O)[O-] 1299573559 LEGRLZKMCSZOOR-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCOc2ncccc2C1 1466694992 NBBCNBUYIPQTDO-UHFFFAOYSA-N 300.314 1.457 10 10 DDCE CCc1nc(O)c(C(=O)NCc2ccc(O)c(O)c2)cc1C 1465953103 CRIWEGZPBRXNGQ-UHFFFAOYSA-N 302.330 1.999 10 10 DDCE COCc1nn(C)cc1C(=O)NCc1cccc(OC)c1O 1465993157 OJTNYVVMNKUKQN-UHFFFAOYSA-N 305.334 1.211 10 10 DDCE CC(=O)Nc1cnccc1C(=O)NCc1ccc(O)cc1O 1557085912 ZNAAHMJOOXUXKF-UHFFFAOYSA-N 301.302 1.381 10 10 DDCE O=C(CNC(=O)Nc1ccccc1)NCc1ccc(O)cc1O 1557084727 MDHWCNXCMHIATD-UHFFFAOYSA-N 315.329 1.536 10 10 DDCE CC(=O)N[C@H](C(=O)NCc1c(O)cccc1O)C1CCCC1 1558533340 CPARKTIVQQAEPB-HNNXBMFYSA-N 306.362 1.409 10 10 DDCE C[C@@H](Oc1ccc(C=O)cc1)C(=O)NCc1cc(O)ccc1O 1633599300 WTSVSUFZXPNRCH-LLVKDONJSA-N 315.325 1.994 10 10 DDCE COc1c(C(=O)NCc2ccc(O)cc2O)cccc1[N+](=O)[O-] 1557085744 UZHIUIBDVMECPS-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@@H]1CCN(CC(F)(F)F)C1 1635847384 NGXRWNXALJGGCO-SECBINFHSA-N 318.295 1.598 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CC(C)C)C(N)=O 1640260242 XDAJUIXZFARULB-NSHDSACASA-N 313.394 1.642 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NCc1ccc(O)c(O)c1O 232504082 NHLUPMPZCPFAJP-ZJUUUORDSA-N 310.350 1.559 10 10 DDCE COc1cccc(CNS(=O)(=O)N2CCC[C@@H](C)C2)c1O 161121259 YSBHTKFDHSPSGY-LLVKDONJSA-N 314.407 1.467 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCN=[N+]=[N-])C(C)(F)F 1886452978 NJUJEFLJFCNEFS-ZETCQYMHSA-N 307.301 1.961 10 10 DDCE COc1ccc(Br)c(CNCC=CCO)c1O 1964043875 YJPWYLHKUARHBQ-UHFFFAOYSA-N 302.168 1.801 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)c(Cl)c1 2145071939 IKBQMUTWXAMDAF-DRCTWCGVSA-N 314.838 1.983 10 10 DDCE Nc1ccc(CCC(=O)N2CC(NC(=O)C(F)(F)F)C2)cc1 1977905011 LAHAFVRYFRKPTH-UHFFFAOYSA-N 315.295 1.091 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NCc2ccc(N)cc2)C1 1986128893 XPLGGGBTERJLPO-GJZGRUSLSA-N 321.421 1.729 10 10 DDCE CCN[C@@H](C)c1cnc(Sc2nc(O)n(C)c(=O)n2)s1 2159807220 IHXOPAWQKXOLSI-LURJTMIESA-N 313.408 1.159 10 10 DDCE CC[C@@H](C(=O)Nc1ccc(O)c(O)c1)N1CCO[C@H](CC)C1 2063377128 UKWXRPWTGRPMEP-OLZOCXBDSA-N 308.378 1.926 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@H](C)c3nccs3)c2n1 2065215830 GWINSTYJGGRCDN-QMMMGPOBSA-N 317.374 1.733 10 10 DDCE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)CCOc1ccc(N)cc1 2170630518 KGGIVWWHOXTHIA-VXGBXAGGSA-N 300.424 1.401 10 10 DDCE COc1cccc(O)c1CN=c1cc(Br)n(C)[nH]1 2042579087 IVUWBGLBWDZKTP-UHFFFAOYSA-N 312.167 1.931 10 10 DDCE C[C@H](O)c1cc(F)c(N2CCS(=O)(=O)C[C@H]2C)c(F)c1 2194516228 UGPWQCRDHBPJSW-BDAKNGLRSA-N 305.346 1.641 10 10 DDCE Oc1c(Br)cccc1CN1CCO[C@@H]2COC[C@H]21 2072494182 QUADIMXLPGXQEN-VXGBXAGGSA-N 314.179 1.754 10 10 DDCE Cc1ccc(S(=O)(=O)NCCc2ccc(O)c(O)c2)s1 1260686125 GMPXSMSUNRYPCL-UHFFFAOYSA-N 313.400 1.989 10 10 DDCE Cc1ccc(CNC[C@H](O)CC(=O)O)c(O)c1Br 2327581506 AYYXVSXGVIXPJQ-SECBINFHSA-N 318.167 1.388 10 10 DDCE Cc1ccc(CN[C@H]2COCC[C@H]2O)c(O)c1Br 2327630157 HZGMTYBJVIDZKV-WDEREUQCSA-N 316.195 1.703 10 10 DDCE CC1CCN(c2ccc(CNC(=O)[C@H]3CNC(=O)C3)cc2)CC1 108295410 JUUXTBOWNZUHDM-OAHLLOKOSA-N 315.417 1.675 10 10 DDCE O=C1CN[C@@H](c2cc(Cl)cc(Br)c2O)CN1 1951964240 FHXHCJRVORBPQU-MRVPVSSYSA-N 305.559 1.569 10 10 DDCE Nc1ccc(CN(C2CC2)S(=O)(=O)NCC(F)(F)F)cc1 126040813 VHCXEENDIFUDMH-UHFFFAOYSA-N 323.340 1.630 10 10 DDCE COc1ccc(N2CCN(c3nc(C)cc(C#N)n3)CC2)cc1 32212281 SXINBFXUVLUTTO-UHFFFAOYSA-N 309.373 1.992 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCC(N(C)C)CC2)cc1 127983414 UNZBAGOQELBKKF-UHFFFAOYSA-N 318.465 1.395 10 10 DDCE COC(=O)[C@@H](C1CC1)N1CCN(c2ccc(OC)cc2)CC1 316100246 PQMJWYLHJBJNFO-MRXNPFEDSA-N 304.390 1.769 10 10 DDCE CCOC(=O)CN1C(=O)C/C(=C\c2ccc(N(C)C)cc2)C1=O 74521002 IYCYPRQZJGMKCK-UKTHLTGXSA-N 316.357 1.458 10 10 DDCE C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1ccc(N(C)C)c(F)c1 135553530 NNLVFQSLVFBOJF-IINYFYTJSA-N 316.398 1.489 10 10 DDCE O=C1C[C@@H](C(=O)Nc2sc3c(c2C(=O)O)CCCC3)CN1 134856377 YTXWBUZCHHNFRE-SSDOTTSWSA-N 308.359 1.400 10 10 DDCE CCCS(=O)(=O)Nc1cc(N2CCOCC2)ccc1OC 41365200 OGEUSEYANACABW-UHFFFAOYSA-N 314.407 1.684 10 10 DDCE Cc1cc(I)c(O)c([C@H](N)CCO)c1 238544145 BFEVBKMOQQENPJ-SECBINFHSA-N 307.131 1.687 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 272429114 GFYSBIZDFAWHRX-IKHFIWMDSA-N 320.345 1.988 10 10 DDCE CNC(=O)C1CCC(NC(=O)c2ccc(C)c(O)c2O)CC1 272738968 IDBFLBUTWOJPGO-UHFFFAOYSA-N 306.362 1.441 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](O)c1ccc(Cl)c(Cl)c1 838143579 GHJNOXBGRUNNAS-LLVKDONJSA-N 305.113 1.728 10 10 DDCE c1cc(N2CCOCC2)ccc1CN[C@@H]1CCO[C@]12CCOC2 903076524 ROCVCIBPRDISMN-MSOLQXFVSA-N 318.417 1.561 10 10 DDCE CC[C@@H](CN1CCOCC1)NC(=O)N[C@@H](C)c1ccccc1O 925609484 UNAWMSZKQCXAST-KBPBESRZSA-N 321.421 1.863 10 10 DDCE COc1ccc(N2CC[C@H](N3C(=O)NC4(CCC4)C3=O)C2)cc1 849356929 ICEKRCXUGPSEHZ-ZDUSSCGKSA-N 315.373 1.748 10 10 DDCE Cc1ncc2n1C[C@H](C(=O)NCc1c(O)cccc1F)CC2 928707139 ATRQJHUITMOOKO-LLVKDONJSA-N 303.337 1.915 10 10 DDCE COC(=O)C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 855909702 MBNOZBVHCMQFAI-QTEJZOKPSA-N 319.357 1.817 10 10 DDCE O=S(=O)(N=S1(=O)CCCC1)NCc1c(O)cccc1F 921451690 USMKGHJPEBNRKW-UHFFFAOYSA-N 322.383 1.128 10 10 DDCE O=C(O)[C@]12COC[C@H]1CN(Cc1cc(Cl)cc(F)c1O)C2 854242636 ORIMNXZVGYBQQW-YMTOWFKASA-N 315.728 1.718 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CC(C)=NO3)C2)cc1 855224427 FYOQAMODYSLVKN-DOMZBBRYSA-N 303.362 1.555 10 10 DDCE COCC[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852033930 CCZNXPQSZLMHRZ-ZIAGYGMSSA-N 321.421 1.998 10 10 DDCE Cn1cc(C(=O)NCc2ccc(N)cc2)nc1Br 698371002 CGUCFADAQZHVPP-UHFFFAOYSA-N 309.167 1.695 10 10 DDCE Cc1ccc([C@H](C)NC[C@]23COCCN2C(=O)OC3)c(O)c1C 866520087 BZKNVSXATRRDMY-SUMWQHHRSA-N 320.389 1.881 10 10 DDCE CC(C)C[C@]1(C(=O)N2Cc3cccc(O)c3C2)CCNC1=O 871206770 DNWGPXDJQWQWDA-QGZVFWFLSA-N 302.374 1.787 10 10 DDCE CCOc1ccc(CN[C@H](C(=O)OC)c2ccn(C)n2)c(O)c1 787438656 SQBHIDBDWIREQG-HNNXBMFYSA-N 319.361 1.528 10 10 DDCE C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[S@](=O)C1 1138238822 IOGMTRHHWXAGCR-STFLBKPXSA-N 322.390 1.690 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)c(Cl)c1 703140334 YWZWLHPOHFBZMN-GXSJLCMTSA-N 317.842 1.488 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1cnn2ncccc12 1142728021 KYIKWFFEROIWMY-UHFFFAOYSA-N 319.324 1.913 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 1345920185 VSLZINPYBZVELY-FPMFFAJLSA-N 302.374 1.655 10 10 DDCE C[C@H](C(=O)OC(C)(C)C)S(=O)(=O)N(C)CCCN=[N+]=[N-] 1912211679 ZJDKTQMHCUGMKR-SECBINFHSA-N 306.388 1.679 10 10 DDCE COc1cccc(CNC(=O)c2ccc(CN(C)C)nc2)c1O 1445970049 OUCRXTUZGPVWRN-UHFFFAOYSA-N 315.373 1.787 10 10 DDCE COc1cc2c(c(OC)c1)N(CCNC(=O)C1CC1)CCC2 1618568234 KNCALFUOEAUABL-UHFFFAOYSA-N 304.390 1.983 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](CO)[C@@H](O)C1 1625064647 BAQRNHXMAKSTBY-PELKAZGASA-N 323.370 1.128 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2c(O)cccc2O)c(F)c1 1558534165 ONKLDODGTKTRBM-UHFFFAOYSA-N 319.288 1.954 10 10 DDCE COC(=O)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C 1634205680 UMNWSSFLSRTIIH-SKDRFNHKSA-N 318.333 1.873 10 10 DDCE Cn1cc(-c2n[nH]cc2C(=O)N2Cc3cccc(O)c3C2)cn1 1632709392 VWCKHRSYAPMXHA-UHFFFAOYSA-N 309.329 1.672 10 10 DDCE Nc1ccc(CC(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 167317941 CSXWSJAHKOZGGK-QGZVFWFLSA-N 317.433 1.525 10 10 DDCE Nc1ccc(OCC(=O)Nc2nnc([C@H]3CCCO3)s2)cc1 1860083266 JYEHJRYBAFMHIE-LLVKDONJSA-N 320.374 1.989 10 10 DDCE Nc1ccc(OCCC(=O)N2CCC[C@@H](C3OCCO3)C2)cc1 2145845539 JQEVVGQXDGYKRO-CYBMUJFWSA-N 320.389 1.649 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1Nc1c(N)cccc1C(N)=O 1986714237 YQJMORKGDGLAHU-NEPJUHHUSA-N 320.393 1.835 10 10 DDCE OCC1(NCc2cc(Br)cc(F)c2O)COC1 2015360463 YZVFGEYODBIKKD-UHFFFAOYSA-N 306.131 1.145 10 10 DDCE CSc1ncc(CN2CC(=O)N[C@H](CC(C)C)C2=O)s1 2284664166 DCSJRFGHBBZJOE-SNVBAGLBSA-N 313.448 1.738 10 10 DDCE CNCc1ccc(N2CC(O)(C(F)(F)CO)C2)c(Cl)c1 2288532710 MCRPODWZIMNPPN-UHFFFAOYSA-N 306.740 1.238 10 10 DDCE CC(=O)N(C)C1CN(c2ccc(CN)cc2Br)C1 2328275251 OFGXIRHJCBHUIF-UHFFFAOYSA-N 312.211 1.575 10 10 DDCE Cc1ccc(CNC(=O)[C@@H](N)[C@H](C)F)c(O)c1Br 2327597191 TUAYRIGIXYWQSZ-XVKPBYJWSA-N 319.174 1.765 10 10 DDCE Cc1ccc(CN2C[C@@H](O)C[C@@H](O)C2)c(O)c1Br 2327632087 YTBZPIQLIOHSPI-PHIMTYICSA-N 316.195 1.391 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CC[C@@H](C)NC2)s1 2345312680 KQJDPDVURCCLPW-PELKAZGASA-N 301.437 1.550 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)C[C@H]3COC[C@@H]32)s1 2348134337 ZOERJEVBPYOMPG-QOSJWCAFSA-N 300.405 1.444 10 10 DDCE CSc1ncc(CN[C@@](C)(C(=O)O)[C@@H]2CCOC2)s1 2350659326 SMYZOPFBNPJVFJ-PRHODGIISA-N 302.421 1.834 10 10 DDCE CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)CCN1C[C@@H](C)O 171565608 HDFZCVNYRJHKGM-TZMCWYRMSA-N 323.393 1.577 10 10 DDCE COc1ccc(N2CCN(Cc3nnnn3C(C)C)CC2)cc1 26364176 VYLZZGDPNRHBHS-UHFFFAOYSA-N 316.409 1.585 10 10 DDCE CCC(CO)(CO)NCc1cccc(Br)c1O 218111634 FVBHXQCSXXUERB-UHFFFAOYSA-N 304.184 1.378 10 10 DDCE C[C@H](CN)N1CC2(CCNCC2)Nc2cc3c(cc21)OCCO3 75280881 GJVXHZJWCLHHGZ-GFCCVEGCSA-N 318.421 1.159 10 10 DDCE Nc1ccc(-c2csc(NS(=O)(=O)c3cn[nH]c3)n2)cc1 37744413 WLSDQTRHIIVIDG-UHFFFAOYSA-N 321.387 1.916 10 10 DDCE CCN(Cc1ccc(OC)cc1O)[C@H](C)CS(C)(=O)=O 93391427 XLPLFKCTRFLKED-LLVKDONJSA-N 301.408 1.656 10 10 DDCE N[C@@H](CCCO)c1cc(I)ccc1O 95769537 PQTIDUNMBXSBIM-VIFPVBQESA-N 307.131 1.769 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(F)cc2nc(C)c(C)nc12 808506212 IBANHHCUSHCTRN-UHFFFAOYSA-N 304.277 1.701 10 10 DDCE CCS(=O)(=O)NC1CN(c2ccc([C@H](C)O)c(Cl)c2)C1 2165630300 IABQYQKDEUVFEP-VIFPVBQESA-N 318.826 1.521 10 10 DDCE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(O)c1O)C2 819791794 HLEACNUBAWTZNU-DLOVCJGASA-N 320.345 1.447 10 10 DDCE CN(C)c1ccc(CNC(=O)CCc2cnn(C)n2)cc1F 822864232 XQTLIKBIOSXERR-UHFFFAOYSA-N 305.357 1.269 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@H]1C(=O)O 901918303 ZCJCZWYNCMLGNT-VXGBXAGGSA-N 304.346 1.589 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[C@@H]2CCCCN21 901124664 XFIDSROVNPCMKX-KBPBESRZSA-N 304.390 1.773 10 10 DDCE CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)[C@@]1(O)CCOC1 844042551 VUNICGGAOYPGNT-UKINESCASA-N 321.373 1.405 10 10 DDCE CN1CCN(c2ccc(CN[C@@H]3C[C@@H](N)C34CCC4)cc2)CC1 925761254 BSHQPFBCBAXOGZ-QZTJIDSGSA-N 314.477 1.798 10 10 DDCE Nc1ccc(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 843492610 TYSZYWOXSBMXKL-UHFFFAOYSA-N 312.329 1.699 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3CC(C)=NO3)CC2)cc1 854198367 IBHJXALVTBKERM-OAHLLOKOSA-N 303.362 1.509 10 10 DDCE CSC[C@@H]1NC(=O)N(CCCSc2nccs2)C1=O 924641147 QCWHMNJMZCWBIB-QMMMGPOBSA-N 317.461 1.909 10 10 DDCE Cn1cc(CCN(Cc2ccccc2O)C[C@H]2CCCO2)nn1 859191291 YTRUPDMTZZDDOZ-MRXNPFEDSA-N 316.405 1.744 10 10 DDCE COc1cc(Br)cc(CN[C@H]2CCNC2=O)c1O 850344151 XXFBRLSWSBOKTL-VIFPVBQESA-N 315.167 1.141 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3COC(=O)C3)C2)cc1 855233622 JJSGPBGBLUUCDQ-QWHCGFSZSA-N 318.373 1.343 10 10 DDCE C[C@H](NS(=O)(=O)c1ccc(N(C)C)nc1)c1ccccc1O 867836597 ZJIIZQWQSRFWCS-NSHDSACASA-N 321.402 1.893 10 10 DDCE C[C@@H](NC[C@@H](O)CN1CCOCC1)c1ccc(N(C)C)cc1 775833502 KFMRSJCRVDSOHY-RHSMWYFYSA-N 307.438 1.096 10 10 DDCE COc1cc(O)c(CN[C@H]2C[C@H](S(C)(=O)=O)C2)cc1OC 895687588 DIZKGOIHCUBPTA-XYPYZODXSA-N 315.391 1.075 10 10 DDCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)NCc1ccco1 1136514055 SWZIZZDJPDBIEH-SNVBAGLBSA-N 318.329 1.054 10 10 DDCE C[C@H](NCc1c(O)ccc(Cl)c1F)c1nnc(O)n1C 895178349 ZQKOPCWRIWGXIR-LURJTMIESA-N 300.721 1.870 10 10 DDCE COc1cc([N+](=O)[O-])cn(CC(=O)c2ccc(O)c(O)c2)c1=O 1166614157 FEVRFUJPPBFJAL-UHFFFAOYSA-N 320.257 1.059 10 10 DDCE CN(C)[C@H]1COC[C@H]1NCc1cc(Br)ccc1O 1922042530 RTWBPTSKWCJTAN-NEPJUHHUSA-N 315.211 1.573 10 10 DDCE COCCOC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1628715089 DIMPBGURFQUAFI-SNVBAGLBSA-N 308.338 1.630 10 10 DDCE Cn1nccc1[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1634989936 XZEXVJBACOMNMP-CYBMUJFWSA-N 315.373 1.780 10 10 DDCE CSc1ncc(CNCCC(=O)N2CCOCC2)s1 2208431337 RIMNGFAQNVASRK-UHFFFAOYSA-N 301.437 1.204 10 10 DDCE CN(C)c1ccc(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1 1587317233 VWDLMCCBYXJSTK-UHFFFAOYSA-N 323.740 1.967 10 10 DDCE CNCc1ccc(N2CCCNC(=O)C2)cc1C(F)(F)F 167382667 OFJQRMNUTBWXFX-UHFFFAOYSA-N 301.312 1.751 10 10 DDCE C[C@@H](N)c1ccc(N2CCOC[C@@H]2CO)c(Br)c1 168227860 JVYGDFZGEYKCRD-KOLCDFICSA-N 315.211 1.666 10 10 DDCE CCC1=NN(C)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1865679514 QUTRYLAXPFZODI-UXBLZVDNSA-N 317.301 1.987 10 10 DDCE O=C1c2ccc(O)cc2OC[C@@]1(O)Cc1ccc(O)c(O)c1 14758409 BTLMXNHNFFXBHW-INIZCTEOSA-N 302.282 1.352 10 10 DDCE biogenic [N-]=[N+]=NCCN[C@@H](C(=O)O)c1nc(Br)cs1 1939395115 HVPTVHCEBFQFAX-RXMQYKEDSA-N 306.145 1.931 10 10 DDCE CN(Cc1ccc(F)c(F)c1O)C[C@H]1CCS(=O)(=O)C1 876760423 ULBUAKHCNQGWQE-SECBINFHSA-N 305.346 1.537 10 10 DDCE CC1(C)[C@@H](CNCc2cccc(F)c2O)CCS1(=O)=O 1967858523 SRZHXOIJCFOCAB-LLVKDONJSA-N 301.383 1.834 10 10 DDCE C[C@@H](NCc1cc(F)ccc1O)[C@@H]1CCCS(=O)(=O)C1 2146101617 YPQUPMVKKWETRD-GHMZBOCLSA-N 301.383 1.834 10 10 DDCE Oc1nnc(CNCc2ccc(Br)cc2O)o1 2023058845 AJBFIGBVIDVVQD-UHFFFAOYSA-N 300.112 1.533 10 10 DDCE CN[C@@H](C)c1ccc(N2CC(CS(C)(=O)=O)C2)c(F)c1 2159434923 ONFYUBKKCZFZNL-JTQLQIEISA-N 300.399 1.587 10 10 DDCE C[C@H](CCS(C)(=O)=O)N(C)[C@H](C)c1c(O)cccc1O 2160745384 CHKUKQFVFNBSGB-GHMZBOCLSA-N 301.408 1.914 10 10 DDCE C[C@@H](O)c1ccc(N2CC(NS(C)(=O)=O)C2)c(Cl)c1 703005084 CNPQGFZRKMKREO-MRVPVSSYSA-N 304.799 1.131 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3C[C@H](C4CC4)O[C@H](C)C3)c2n1 2064246925 YOAKYJLQHJOVEB-ZWNOBZJWSA-N 316.361 1.383 10 10 DDCE Nc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2N)cc1 2191635503 ALFDIYAGEMAAIM-UHFFFAOYSA-N 311.794 1.983 10 10 DDCE COC(=O)c1nc(=NCc2cnc(SC)s2)cc(C)[nH]1 2284507710 MSZVFVWRTMFEBT-UHFFFAOYSA-N 310.404 1.784 10 10 DDCE COc1ccc([N+](=O)[O-])cc1N=NN1CCC(C(N)=O)CC1 2330283029 QQIHDCDEUYZTPD-UHFFFAOYSA-N 307.310 1.799 10 10 DDCE CNS(=O)(=O)c1c(N)cccc1Sc1nccs1 310947277 MSYYGDMPQOGJEF-UHFFFAOYSA-N 301.418 1.785 10 10 DDCE C[C@@H]1CCc2nc(C=C3C(=O)N(C)C(=O)N(C)C3=O)sc2C1 121856881 AWBVIWAWKGLUOE-MRVPVSSYSA-N 319.386 1.702 10 10 DDCE CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 178397161 VNXRKMJDFROEMB-UHFFFAOYSA-N 306.343 1.553 10 10 DDCE O=S(=O)(NCC(F)(F)F)Nc1ccc(O)c(Cl)c1 127222918 MEKVQNNAYODQQQ-UHFFFAOYSA-N 304.677 1.854 10 10 DDCE O[C@@H]1CCC[C@H]1CNCc1ccc(N2CCOCC2)c(F)c1 304340380 PKAGSUDNPAHSHB-WMLDXEAASA-N 308.397 1.913 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCC(=O)N(C)C1 128682910 OWPKCFFCNGRACD-CQSZACIVSA-N 318.421 1.481 10 10 DDCE COc1ccc(CN2CCC[C@H](Cn3cncn3)C2)c(O)c1 128499486 CZBMAALJHMTUTB-ZDUSSCGKSA-N 302.378 1.905 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cc3c(=O)[nH]cnc3cn2)cc1 186255278 XGRFPBYARQEMRO-UHFFFAOYSA-N 323.356 1.314 10 10 DDCE CCS(=O)(=O)N(C)Nc1nc([C@H]2C[C@H]2C(=O)OC)cs1 2365283116 MBXAMPMJBRNOPS-JGVFFNPUSA-N 319.408 1.028 10 10 DDCE COC[C@@]1(O)CCN(c2c(Cl)cc(OC)cc2OC)C1 2368269126 KZDSGXWYFGREHY-CQSZACIVSA-N 301.770 1.945 10 10 DDCE CN(C)CCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255627801 ASWGHLXAZFGAMM-YVMONPNESA-N 303.406 1.214 10 10 DDCE CC(C)(CCO)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255413228 JJHWVZXWJRUVIR-YVMONPNESA-N 318.417 1.814 10 10 DDCE C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@]2(CCO[C@H](C)C2)O1 373748145 YYUCGBZDKXSUGG-PEBVRCNWSA-N 321.373 1.896 10 10 DDCE COc1ccc2c(c1)CCN2C(=O)c1c[nH]nc1[C@@H]1CCNC1 662422926 RWSGBJMWEUCSCJ-GFCCVEGCSA-N 312.373 1.698 10 10 DDCE Nc1ccc(OCCON2C(=O)COc3ccc(N)cc32)cc1 821299679 MJLQKNCAOVWROB-UHFFFAOYSA-N 315.329 1.587 10 10 DDCE CC(=O)NC[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCO1 835028076 JFFOOGFTXKHIHV-SHCNBLLESA-N 317.433 1.603 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2C[C@@H](N)C(C)(C)C2)cc1 903556071 MFLHURUPYKVVKP-OAHLLOKOSA-N 304.438 1.038 10 10 DDCE COC1CCN(c2ccc(CN3CN(C)C(=O)[C@@H]3C)cc2)CC1 830798628 QVIZHOPHSKRSFG-AWEZNQCLSA-N 317.433 1.922 10 10 DDCE COc1cc(C)cc(CN2CC[C@@H](CN3CCOC3=O)C2)c1O 840096298 RSACPGNMPOKKPR-CYBMUJFWSA-N 320.389 1.983 10 10 DDCE CO[C@@](C)(CO)CNCc1cc(Br)cc(C)c1O 848921848 IFYPUIOPILRZDX-CYBMUJFWSA-N 318.211 1.950 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CCC(=O)OC 843488422 YOLJXUMRBQTHCE-HNNXBMFYSA-N 321.421 1.382 10 10 DDCE Cc1ccc(C(=O)N2CCOC3(CCN(C)CC3)C2)c(O)c1O 844095624 ZOPBVZIKRFGIBJ-UHFFFAOYSA-N 320.389 1.343 10 10 DDCE NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3(F)CC3)cc2)C1 843535174 SDIXFDZWYZGTQY-CYBMUJFWSA-N 319.380 1.507 10 10 DDCE CCN1C[C@H](COC(=O)/C=C\c2ccc(O)c(O)c2)OC1=O 848731463 DDWUFTFJDOHMTM-VLWUPBBWSA-N 307.302 1.495 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H]3[C@H]4C[C@@H]5CN[C@H]3[C@H]5C4)C2)cc1 925710969 CPJFYJNFOYABNY-YWXGLZJUSA-N 313.445 1.860 10 10 DDCE C[C@@]1(C2CCN(C(=O)c3cccc(O)c3O)CC2)COC(=O)N1 928164795 TYXMEOJQOQDJJI-INIZCTEOSA-N 320.345 1.449 10 10 DDCE C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2O)CS1(=O)=O 853571171 WXJXCKWWJMCZHH-PWSUYJOCSA-N 312.391 1.157 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CC3CCNCC3)C2)cc1 852844263 SDORLVQWMSRKOE-HNNXBMFYSA-N 317.433 1.780 10 10 DDCE Cn1ccnc1C(=O)NCc1cccc(Br)c1O 766236832 NDZRQGTZHXLACE-UHFFFAOYSA-N 310.151 1.818 10 10 DDCE NC(=O)[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 1118857990 AHQUHBDXIQXFGI-HDJSIYSDSA-N 316.405 1.350 10 10 DDCE COc1cc(O)c(CN2C[C@H](O)CC(F)(F)C2)cc1OC 787438058 GTBGJNCKZYWPFE-SNVBAGLBSA-N 303.305 1.611 10 10 DDCE COc1cc(O)c(CN2C[C@@H](O)CC(F)(F)C2)cc1OC 787438056 GTBGJNCKZYWPFE-JTQLQIEISA-N 303.305 1.611 10 10 DDCE Cc1cc(CC(=O)NC2=NCC(=O)N2)c(C)n1-c1ccccc1 1306416244 YLQPWUQXHYGOIM-UHFFFAOYSA-N 310.357 1.239 10 10 DDCE CSCC[C@H](NC(=O)c1ccc(C)c(O)c1O)c1nn[nH]n1 1167445429 XLZBYFFMPKZBGS-VIFPVBQESA-N 323.378 1.144 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CNC(=O)C1 1312864955 GKPVJEZSPCQZFJ-CQSZACIVSA-N 318.421 1.420 10 10 DDCE N[C@@H]1CC(C(=O)N2CCc3ccc(Br)cc32)=C[C@H]1O 2131474167 YNHJLXXAONEKID-DGCLKSJQSA-N 323.190 1.357 10 10 DDCE CC1(C(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)CS(=O)(=O)C1 1912182970 JKOGHKYQHHNLAF-JTQLQIEISA-N 300.384 1.360 10 10 DDCE Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(O)cccc1O 1456236853 RAYTUHDAHSRHFA-UHFFFAOYSA-N 303.274 1.518 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCCNc1ncccn1 1464549575 RELYBZWLYBLXRA-UHFFFAOYSA-N 302.334 1.049 10 10 DDCE CCO[C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1OC 1467342541 INKZNDRVXUVJKV-XQQFMLRXSA-N 320.349 1.771 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2[nH]nnc2C)cc1C 1483155165 OIBKTGJJWWQGME-LLVKDONJSA-N 317.393 1.338 10 10 DDCE O=C(CNC(=O)OCC(F)(F)F)NCc1cc(O)ccc1O 1558174103 DKQVXKYSAGEGSL-UHFFFAOYSA-N 322.239 1.003 10 10 DDCE CC[C@@H](C(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1)N(C)C 1569081658 VHKZKQZNWQSBTI-HOCLYGCPSA-N 321.465 1.938 10 10 DDCE Cn1cc([C@H](NC(=O)c2cc(O)cs2)c2ncon2)cn1 1637753934 URHPSUDJJWUYOW-JTQLQIEISA-N 305.319 1.090 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCC2(C1)OCCO2 1566944340 DHZAAXKITBOFFV-QQHVMHFCSA-N 305.330 1.523 10 10 DDCE Cc1cc(S(N)(=O)=O)oc1C(=O)N(C)Cc1ccccc1O 1566304015 NQGVXJGGQWHNKE-UHFFFAOYSA-N 324.358 1.213 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1ncon1)C1CC1 1596960020 LBPXMEVHBNBWJJ-XCVZWFEFSA-N 301.302 1.762 10 10 DDCE C[C@H]1SC(=S)N(CCCC(=O)NC[C@@H]2CCCO2)C1=O 11636191 XKBWLIPJDCXUMR-ZJUUUORDSA-N 316.448 1.311 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H]([C@@H](C)O)C3)c(Cl)cc21 167822156 MRYFPHXJYKFVNP-ITMYJUKJSA-N 309.797 1.760 10 10 DDCE CCN(Cc1ccc(N)cc1)S(=O)(=O)NCC(F)(F)F 126025632 GETVDXULIKRJMZ-UHFFFAOYSA-N 311.329 1.487 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NCc1ccc(N)cc1 1939201529 ZMVURVFQFRTVOQ-HIFRSBDPSA-N 321.421 1.898 10 10 DDCE NCc1ccc(N2CC[C@H]2C(N)=O)c(F)c1Br 1941848749 TXWZJGKUARKDJI-QMMMGPOBSA-N 302.147 1.111 10 10 DDCE CN(Cc1cc(Br)ccc1O)[C@H]1CCCNC1=O 1963334410 DKJWNDRRUDFAPR-NSHDSACASA-N 313.195 1.865 10 10 DDCE CNCc1ccc(N(C)CCN(C)S(C)(=O)=O)c(Cl)c1 2146932568 FFDCGNCMVSTLRH-UHFFFAOYSA-N 319.858 1.387 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](NCc2cccc(F)c2O)C1 400188790 SXEIEDPFSRBZSX-LLVKDONJSA-N 302.371 1.045 10 10 DDCE O=C(NC1[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1cccc(O)c1O 365579316 WJTAJZBPXKSADF-HUUCEWRRSA-N 324.380 1.958 10 10 DDCE CCn1ccnc1[C@H](C)NC(=O)c1cnn2c(O)cc(C)nc12 2063529605 GDPOHRJORIQOTG-JTQLQIEISA-N 314.349 1.451 10 10 DDCE NCc1ccc(N2CC[C@@H](O)C[C@H]2CO)cc1Br 2080497636 VVQQKLCTZCMURF-NWDGAFQWSA-N 315.211 1.230 10 10 DDCE NCc1ccc(N2CC[C@@H]3CC(=O)N[C@H]3C2)c(Br)c1 2088806101 LQRFIGBTAGETKS-PWSUYJOCSA-N 324.222 1.623 10 10 DDCE Cc1nn[nH]c1CCNCc1cccc(Br)c1O 2219264235 SLDRBXFOGGMWTQ-UHFFFAOYSA-N 311.183 1.914 10 10 DDCE COc1ccc(Br)c(CN(C)[C@@H]2CCNC2)c1O 2220452203 VNBBNLFFERDCRT-SECBINFHSA-N 315.211 1.957 10 10 DDCE NCc1ccc(N2CCC[C@H]2CC(N)=O)cc1Br 2257941802 JHRQNZWZRYZDFP-JTQLQIEISA-N 312.211 1.752 10 10 DDCE CSc1ncc(CNC(=O)[C@]2(C)CNCC2(F)F)s1 2278234801 MNUOTKBMJOEZQZ-JTQLQIEISA-N 307.391 1.726 10 10 DDCE COC(=O)C1(CS(=O)(=O)Nc2ccc(O)c(Cl)c2)CC1 2290037545 RBPKBKQOQWTCGA-UHFFFAOYSA-N 319.766 1.741 10 10 DDCE COCCN1CCN(Cc2cc([N+](=O)[O-])ccc2O)C[C@@H]1C 171569906 AXIBFCVFKKDUJQ-LBPRGKRZSA-N 309.366 1.453 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCC(CCO)CC3)cc2N1 401010768 MFYLSVIAOFIUBX-UHFFFAOYSA-N 321.333 1.525 10 10 DDCE O=C(NCc1cccnc1-n1ccnc1)c1cccc(O)c1O 186883298 JLKSHFJVZRQLTC-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@H](C(N)=O)O1 191444397 COTBRHICXHFRMP-RDDDGLTNSA-N 302.733 1.259 10 10 DDCE Cn1cc(N2CCC[C@H](NC(=O)Cc3ccc(N)cc3)C2)cn1 237690653 ZSFBGEKTYVBFOK-HNNXBMFYSA-N 313.405 1.330 10 10 DDCE NC[C@@H]1CCCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1 606441577 ACYRSRKVJSIBPV-AFCDSYGPSA-N 315.417 1.486 10 10 DDCE CC(C)C(=O)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 272435657 LZKIOFQMNDWTSA-GQCTYLIASA-N 318.373 1.438 10 10 DDCE CCOc1ccc(O)c(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1 377837272 KUDMPHAXGLCNII-KYOSRNDESA-N 304.390 1.890 10 10 DDCE CC1([C@@H]2CCCN(CC(=O)c3ccc(O)c(O)c3)C2)OCCO1 2165110112 KOGLNPFSTLVWMF-CYBMUJFWSA-N 321.373 1.756 10 10 DDCE CCC[C@H](C)[C@@H](CO)NCC(=O)NCc1ccc(N(C)C)cc1 844380370 SWMAVBYTTRZKMM-WMLDXEAASA-N 321.465 1.756 10 10 DDCE O=C1N=C(N2CCOCC2)S/C1=C/c1cc2n(n1)CCC2 849243343 IRNZYEFHIQTGSO-FMIVXFBMSA-N 304.375 1.132 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)NCC3COC3)C2)cc1 858551388 DFALZOPGWFZOFH-CYBMUJFWSA-N 319.405 1.467 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)[C@@H](C)CO)C2)cc1 853776261 OCQZZEJZCRODHQ-IHRRRGAJSA-N 321.421 1.590 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](O)C3CC3)C2)cc1 854301044 GWUPTMVYLOJULM-CJNGLKHVSA-N 319.405 1.344 10 10 DDCE Cc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)c(O)c1O 751529819 GMUDPPBKLIQVIP-NSHDSACASA-N 315.325 1.976 10 10 DDCE Cn1c(NCc2c(O)ccc3c2CCCC3)cc(=O)n(C)c1=O 853382783 JPKFQXGRHLMVBB-UHFFFAOYSA-N 315.373 1.281 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC3CCOCC3)C2)cc1 851981590 CDPGTPLOXRIDPQ-CQSZACIVSA-N 319.405 1.752 10 10 DDCE O=S(=O)(CCC[C@@H]1CCOC1)N1Cc2cccc(O)c2C1 867691050 QFOLUNLCPMPPFT-GFCCVEGCSA-N 311.403 1.854 10 10 DDCE CN(C)c1ccc(CNC(=O)C2(N3CCOCC3)CC2)cc1 864575719 QJWLOFWTRBFARC-UHFFFAOYSA-N 303.406 1.234 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H](CCF)C2)c1O 862529723 GLUZKMSYZBBPGY-NSHDSACASA-N 314.313 1.869 10 10 DDCE O=C1C[C@H](C(=O)N2Cc3cccc(O)c3C2)[C@H]2CCCC[C@H]2N1 871204049 BHAUCFJOZBDZNL-VNHYZAJKSA-N 314.385 1.929 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@H]2C[C@@]2(CO)C1 897502069 HAOPTWSLZLJONJ-VFZGTOFNSA-N 305.355 1.767 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc(-n2cncn2)nc1 1142529706 BVDZEHDCLMWYLS-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1c(O)cccc1Cl 697034761 AGKDZXVGHAPKOW-WCQYABFASA-N 319.810 1.289 10 10 DDCE CCO[C@@H]1C[C@](CO)(NC(=O)Cc2ccc(O)c(O)c2)C1(C)C 1154413041 HOUIEDBMQBSJNK-RHSMWYFYSA-N 323.389 1.323 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc(-n2cccn2)nc1 1176748081 IVGHMRBWEPSHPB-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC[C@@]1(CO)COCCN1C 1339192751 GWKBZXZZIAINNZ-QWQRMKEZSA-N 320.433 1.532 10 10 DDCE COc1cc(N2CC(c3n[nH]c(C)n3)C2)c([N+](=O)[O-])cc1OC 1458600833 HSYFWOISMSQIHE-UHFFFAOYSA-N 319.321 1.642 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1coc(S(C)(=O)=O)c1 1465842910 IRBIPUUOGILGFZ-UHFFFAOYSA-N 309.343 1.661 10 10 DDCE O=C1COc2cc(C(=O)NCc3c(O)cccc3O)ccc2N1 1558534449 PWGTXTOISKEBBR-UHFFFAOYSA-N 314.297 1.359 10 10 DDCE COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2N)c(O)c1 1556354492 LPOXLLAOWONDPT-UHFFFAOYSA-N 317.301 1.821 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cn1nccc1N 1628954769 QTQNOVOQPPNWFP-UHFFFAOYSA-N 313.405 1.724 10 10 DDCE C[C@H](CCO)C1(CNC(=O)Cc2ccc(O)c(O)c2)CCC1 1566885081 RQRLTMLIHFBUDI-GFCCVEGCSA-N 307.390 1.945 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(O)ccc1O 1643882223 QPZUYYJKAPHDLQ-VIFPVBQESA-N 310.350 1.627 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@@H]2CCCOC2)cc1C 1731896385 IDBGZOBWAFSTGS-MRXNPFEDSA-N 320.433 1.978 10 10 DDCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC(=O)N1 1693460342 YNWSNWGFGDQTRZ-CYBMUJFWSA-N 315.377 1.207 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H](O)[C@@H](C)C3)c(Cl)cc21 166400521 BKLHXGBFLDSSAN-YZMDESFKSA-N 309.797 1.760 10 10 DDCE Cn1nccc1CNC(=O)NCCCSc1nccs1 152340890 WPHRMTGUQWELEV-UHFFFAOYSA-N 311.436 1.858 10 10 DDCE OCc1ccc(N2Cc3cc(O)nnc3C2)cc1Br 2141181860 WAFFCYJGUCGGIP-UHFFFAOYSA-N 322.162 1.957 10 10 DDCE O=C(Nc1ncc(Br)cn1)c1cccc(O)c1O 2040765910 XCWIJISOJLUITD-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE C[C@H]1N[C@@H](c2cc(Br)cc(Cl)c2O)NC1=O 309775576 LOYLVVGEGLSLKF-ALFREKQPSA-N 305.559 1.915 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CCSC[C@H]3CO)c(Cl)cc21 388138714 OWDBIBYKAOMMQI-KRTXAFLBSA-N 313.810 1.206 10 10 DDCE NCc1cc(F)c(N2CCC([C@H](O)CO)CC2)cc1Cl 2177377270 LOPDUXYPXVPTCQ-CQSZACIVSA-N 302.777 1.507 10 10 DDCE COc1ccc(N2C[C@H]3C(N)[C@@H]3C2)c(OC)c1Br 2045672913 ZBWQAZOGNDFNOR-HTQZYQBOSA-N 313.195 1.860 10 10 DDCE O=C(Nc1cnc(Br)nc1)c1cc(O)nc(O)c1 2054490901 ZDZHBKBQUKLFHD-UHFFFAOYSA-N 311.095 1.298 10 10 DDCE Oc1cc(Br)ccc1CN1CCO[C@H]2COC[C@@H]21 2072497933 VLBBFUBTLNFBRL-AAEUAGOBSA-N 314.179 1.754 10 10 DDCE CS(=O)(=O)CCC1CC(NCc2cccc(F)c2O)C1 2233927871 QZVIWRRYRBTAGF-UHFFFAOYSA-N 301.383 1.834 10 10 DDCE CSc1ncc(CNC(=O)C(F)(F)[C@@H](N)C2CC2)s1 2269188641 RFFVKLZBOVGCJR-QMMMGPOBSA-N 307.391 1.854 10 10 DDCE CCCc1c(O)nc(O)n(Cc2cnc(SC)s2)c1=O 2284664659 GVMRIHMGRCCWOM-UHFFFAOYSA-N 313.404 1.834 10 10 DDCE COc1cc(OC)c(N2CC[C@@H](O)C[C@@H]2CO)cc1Cl 2285866325 GZAMHXUHZOEPRQ-NXEZZACHSA-N 301.770 1.679 10 10 DDCE CCC1=NN(C)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2332141339 QUTRYLAXPFZODI-UHFFFAOYSA-N 317.301 1.987 10 10 DDCE CCOC[C@@H](CN)NCc1ccc(C)c(Br)c1O 2327627634 VUCONKIWSPDBTA-LLVKDONJSA-N 317.227 1.917 10 10 DDCE Cc1nc(CC(=O)NCc2ccc(O)cc2O)sc1C(=O)O 8017106 SMIUCHYUDUJCBX-UHFFFAOYSA-N 322.342 1.420 10 10 DDCE O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/NC1CC1 103886177 LZTYWNRFLNDBPY-YRNVUSSQSA-N 321.789 1.724 10 10 DDCE O=C1Cc2cc(N3CCN(C(=O)c4ccncc4)CC3)ccc2N1 62575943 CSGTXEMKABUJBD-UHFFFAOYSA-N 322.368 1.539 10 10 DDCE C[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(N(C)C)cc1 61077549 BUWAFYFKXYTJPC-GFCCVEGCSA-N 315.373 1.780 10 10 DDCE C[C@@H](CNCCF)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1268098064 NUPOJAZBCZNJDF-JTQLQIEISA-N 309.345 1.869 10 10 DDCE CNC(=O)NC(=O)CNc1ccccc1C(=O)c1ccccc1 175597081 QWQRZMMQKUHCOV-UHFFFAOYSA-N 311.341 1.785 10 10 DDCE CNCc1cc(F)c(N2CCC(OCCO)CC2)c(F)c1 129123988 MCDMJSSPDZNZMH-UHFFFAOYSA-N 300.349 1.662 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)C2)cc1Br 300515145 KJRDPAYQAJZADH-WQHBLYJGSA-N 315.211 1.271 10 10 DDCE CN(C)c1ccc(CNS(=O)(=O)CCN2CCCC2)cc1 189379178 DYVFUGGSXKFKNR-UHFFFAOYSA-N 311.451 1.268 10 10 DDCE CCOC(=O)C1(O)CCN(Cc2cccc(OCC)c2O)CC1 271198069 OPEPSEINHVKPNC-UHFFFAOYSA-N 323.389 1.681 10 10 DDCE CN(C)C(=O)CCN1CCN(Cc2cc(F)ccc2O)CC1 272331293 WMZGXEUWRHTICO-UHFFFAOYSA-N 309.385 1.127 10 10 DDCE COC(=O)C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 295211213 APBNYKSWFCMGFT-JTQLQIEISA-N 317.744 1.949 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(O)nnc(C)c1C 808094138 BXVWUTYGZYTGSU-UHFFFAOYSA-N 322.361 1.920 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@H]2[C@H]53 800514906 PYIPSGXZHGRTNI-ZKPWHKLRSA-N 309.365 1.678 10 10 DDCE COc1cc(Cl)cc(CN(C[C@H](O)CO)C(C)C)c1O 817417728 OIGIWWAGYXJOQA-LBPRGKRZSA-N 303.786 1.618 10 10 DDCE CN(C)c1ccc(CNC(=O)COCc2nccn2C)cc1F 824669461 MAJCIAYBKAUROR-UHFFFAOYSA-N 320.368 1.458 10 10 DDCE CC(C)(NC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(=O)O 588592168 NYBOSAKICLNPIS-YVMONPNESA-N 318.373 1.516 10 10 DDCE COCCN1CCC[C@H]1CNC(=O)NCc1ccccc1O 732457899 BSOQLLVPFQEJKD-AWEZNQCLSA-N 307.394 1.302 10 10 DDCE CO[C@]1(CN[C@H](C)c2ccc(F)cc2O)CCS(=O)(=O)C1 903365414 NCXZTHXAVAQUOM-YGRLFVJLSA-N 317.382 1.386 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)C[C@H](C)NC(N)=O 848046201 QNTLYDOBGTZBGC-LBPRGKRZSA-N 307.394 1.968 10 10 DDCE CC[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@H]1CCCCO1 848604263 XCMXSASZRISWDO-UONOGXRCSA-N 305.378 1.671 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN[C@H]2CCCN3CCSC[C@@H]23)c1 922525735 SJILOVOKNARCQD-KBPBESRZSA-N 323.418 1.970 10 10 DDCE CC(C)(C)C(=O)NCC(=O)NCc1ccc2cccnc2c1O 862029153 SIYCYXNNUFYPFK-UHFFFAOYSA-N 315.373 1.719 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2[C@H]3C[C@@H]4CO[C@H]2[C@H]4C3)cc1 866073157 XSDDUTKTHNAARG-GWCDLVAZSA-N 315.417 1.975 10 10 DDCE COc1ccc(O)c([C@@H](C)NCc2nnnn2C(C)(C)C)c1 766852409 LXZUCBMDUADQMA-SNVBAGLBSA-N 305.382 1.993 10 10 DDCE Cn1cc(/C=C\C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)cn1 760099082 ALIFWWWLOORFLM-LMVHVUTASA-N 310.357 1.439 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1OCCO[C@@H]1C(F)(F)F 866769511 MMZTWSDGSGXHQD-MNOVXSKESA-N 321.251 1.060 10 10 DDCE Cc1nn(Cc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 877880855 KMXTUDPMEZUMEO-UHFFFAOYSA-N 302.334 1.985 10 10 DDCE O=C(O)CN(CC(=O)O)Cc1ccc(Br)cc1O 691424048 UFDXFBZOUVYKQX-UHFFFAOYSA-N 318.123 1.126 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cccc(-n2cnnn2)c1 1304050016 GQZGRQKEBYBMEI-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE CC[C@H](O)Cn1cc(C(=O)N[C@@H](C)c2ccccc2O)nn1 1171730089 JXSRPMYYIMRFAB-QWRGUYRKSA-N 304.350 1.246 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CC[C@@H]2C[C@H]2C1 1351392538 FOWHKHMZCVPNJZ-UMVBOHGHSA-N 316.401 1.903 10 10 DDCE O=C(NCc1ccc2c(=O)cc[nH]c2c1)c1cccc(O)c1O 1448622076 QJIBVAWQQBTUNR-UHFFFAOYSA-N 310.309 1.869 10 10 DDCE CC(=O)C(=O)[C@]1(O)[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)OC(C)(C)C)[C@H]31 1919161066 WYCIJESHVGVNNO-ZKVGZHBLSA-N 309.362 1.151 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1532656383 RUQOPZUSHFMZGN-NEPJUHHUSA-N 317.389 1.380 10 10 DDCE CC[S@](=O)CCn1c(C)nnc1N(C)Cc1ccccc1O 1617409476 OTBASGWHVBQYDL-QFIPXVFZSA-N 322.434 1.697 10 10 DDCE COc1ccc(CNC2(CNC(=O)[C@H]3CCCO3)CC2)cc1C 1483715223 OEJIQMRIHCWUCA-MRXNPFEDSA-N 318.417 1.921 10 10 DDCE COC(=O)c1cnc(SCC(=O)Nc2cnccn2)s1 1559416792 YCPOGJRCLDDPIO-UHFFFAOYSA-N 310.360 1.451 10 10 DDCE O=C(Cc1cnn2ccccc12)NCCc1ccc(O)c(O)c1 1631509942 IFAHUXWSQPCSCJ-UHFFFAOYSA-N 311.341 1.647 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2ccc3c(c2)C(=O)NC3=O)c1 1648926827 WRQNYSVSKJVVER-UHFFFAOYSA-N 310.309 1.514 10 10 DDCE COc1cc(C(=O)NCc2c(O)cccc2O)ccc1[N+](=O)[O-] 1647269501 GBNWUGPXAHLWAK-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE C[C@@H](NC(=O)c1cccc(-n2cncn2)n1)c1ccccc1O 1643742265 WFRCNLWKOHKGQY-LLVKDONJSA-N 309.329 1.859 10 10 DDCE NC(=O)c1cc([N+](=O)[O-])cnc1N1Cc2cccc(O)c2C1 1640307706 NACXTEUKUUFAGS-UHFFFAOYSA-N 300.274 1.315 10 10 DDCE COc1ccc(CNC[C@H](C)N(C)C(=O)[C@H]2CCOC2)cc1C 1666865737 WCTKRAVDPVWNMA-HOCLYGCPSA-N 320.433 1.977 10 10 DDCE Cc1cc(NS(=O)(=O)NC(=O)OC(C)C)c(C)cc1O 232694519 XCDZUZIOZQVEIX-UHFFFAOYSA-N 302.352 1.800 10 10 DDCE CCCN(C(=O)[C@@H]1CCCCS1(=O)=O)c1ccc(N)cc1 167848706 JOKQLCWFJICWRS-AWEZNQCLSA-N 310.419 1.979 10 10 DDCE COCCN(CCOC)C(=O)CCNCc1cc(C)ccc1O 1857864654 ZKMZKLVRUJQPCO-UHFFFAOYSA-N 324.421 1.302 10 10 DDCE Cc1cc(NS(=O)(=O)c2sc(=O)[nH]c2C)c(C)cc1O 235831578 IJKMQRBGWMYEAM-UHFFFAOYSA-N 314.388 1.868 10 10 DDCE C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(F)c(F)c1O 876753660 INCMOCSZQGYPSI-IUCAKERBSA-N 305.346 1.678 10 10 DDCE Nc1ccc(OC[C@@H](O)CN2CCC(C3OCCO3)CC2)cc1 2145837492 SPDLRKMANDETNR-HNNXBMFYSA-N 322.405 1.093 10 10 DDCE C[C@H](NCc1cc(Br)ccc1O)c1nc(O)n[nH]1 392390616 ULJHGPAWHIPEOU-LURJTMIESA-N 313.155 1.829 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCCN4CCC[C@@H]4C3)c2n1 2064712342 PBHIVAULOXMDCJ-GFCCVEGCSA-N 315.377 1.054 10 10 DDCE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1c(F)cc(CO)cc1F 2170657795 SAZQEVIKRTZMLF-RKDXNWHRSA-N 307.362 1.715 10 10 DDCE CN(C)C[C@@H]1COCCN1c1cc(Cl)c(CN)cc1F 2177380697 GRSOYCFYNJGQKK-LLVKDONJSA-N 301.793 1.705 10 10 DDCE C[C@H](N)c1cc(F)c(N2CC[C@H](S(C)(=O)=O)C2)c(F)c1 2194692845 WPZZRGPHGNCVKX-WPRPVWTQSA-N 304.362 1.608 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)C3O)c(Br)c1 2052757537 SAYPIUHTRHAREW-BVUQATHDSA-N 311.223 1.986 10 10 DDCE CN(C)C(=O)C1CN(c2ccc(CN)c(Br)c2)C1 2057399962 PZWOCTLAAPITCJ-UHFFFAOYSA-N 312.211 1.432 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@@H](O)[C@H](O)C2)cc1Br 2068405683 HPIAGOJLUYIGFO-BZHVJNSISA-N 316.195 1.434 10 10 DDCE Nc1ccc(OCC(=O)N2CCCC[C@@H]2C2OCCO2)cc1 2089561522 RMJFNUVGFFANEV-CQSZACIVSA-N 306.362 1.402 10 10 DDCE CN(Cc1ccc(F)cc1O)[C@@H]1CCCS(=O)(=O)CC1 2204650515 JOBTVZFASBWZHM-CYBMUJFWSA-N 301.383 1.930 10 10 DDCE Oc1c(F)cc(Br)cc1CNCC1(O)CSC1 2247999621 OBDXTSCCUUPDOW-UHFFFAOYSA-N 322.199 1.861 10 10 DDCE Cc1nc2ccccn2c1C=C1SC(=S)N(CCO)C1=O 2323676249 BGSFDRHCXGPXJY-UHFFFAOYSA-N 319.411 1.836 10 10 DDCE Cc1ccc(CN[C@@H]2COC[C@H]2CO)c(O)c1Br 2327796370 GMASXHANBIFKBY-GHMZBOCLSA-N 316.195 1.560 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3CC[C@H](C)O3)CC2)cc1 177907173 SGZWWWJEDADERX-XJKSGUPXSA-N 304.390 1.911 10 10 DDCE CCOC(=O)N1CCN(c2ccc3c(c2)CC(=O)N3C)CC1 62093797 RGCZAIQYKLIFII-UHFFFAOYSA-N 303.362 1.484 10 10 DDCE Oc1ccc(I)cc1[C@@H]1C[C@H](O)CCN1 1952072263 RIYUHJNAHGJPMV-SCZZXKLOSA-N 319.142 1.782 10 10 DDCE Cc1cc(F)ccc1S(=O)(=O)NCc1cc(N)ccc1O 36742774 RNEBYMZOVRTNED-UHFFFAOYSA-N 310.350 1.900 10 10 DDCE CN(Nc1nc(C2CC2)c(C(=O)O)s1)S(=O)(=O)C1CC1 2365272472 UEXRNFMIKYDXEF-UHFFFAOYSA-N 317.392 1.470 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1ccc(F)cc1N 40335332 WWHODBUCPWNIIS-UHFFFAOYSA-N 310.350 1.934 10 10 DDCE CC1(C)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[C@H]1O 323536823 NGCVRWBDUYYNKU-CYBMUJFWSA-N 321.333 1.523 10 10 DDCE Cc1cc(Cl)cc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)c1O 370718058 ZPTABJQOSAVZNR-STQMWFEESA-N 310.781 1.443 10 10 DDCE Cn1nccc1NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 299736580 PZEHKKUSZGYPOT-DAXSKMNVSA-N 312.373 1.909 10 10 DDCE Cc1cccc(CN[C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1O 800541615 OIRKWJISGFOHPJ-GXTWGEPZSA-N 312.435 1.508 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(F)ccc1Br 808498831 XKDGXWCWAAUAOY-UHFFFAOYSA-N 303.083 1.903 10 10 DDCE Nc1ccc(CS(=O)(=O)N(CC(F)F)CC(F)F)cc1 719420086 UMFINMBSPXGITM-UHFFFAOYSA-N 314.304 1.931 10 10 DDCE COc1ccc(N2CC[C@@H](CNC[C@@H](O)COC(C)C)C2)cc1 819381304 XVLWGMCYLRNOAS-DOTOQJQBSA-N 322.449 1.897 10 10 DDCE O=C(NCCc1cnc(C2CC2)nc1)c1c(F)ccc(O)c1O 827355179 WRQIRIKUMXOLSB-UHFFFAOYSA-N 317.320 1.877 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 829258283 FSRXLGHQFMRUAQ-KAAREYSNSA-N 306.318 1.741 10 10 DDCE CC[C@H](CO)N(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 828371418 CJKSOTICJRRJMO-WAFBPQNNSA-N 308.334 1.988 10 10 DDCE C/C=C\[C@H](O)C(=O)NCc1ccc(N2CCSCC2)cc1 900255527 ZZZUQJUDPXMJTE-GWQWAINWSA-N 306.431 1.793 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@H](C(=O)O)[C@@H]2CCCO2)cc1 904025229 CQDPZGQKZFXUNE-WLYXZUNZSA-N 304.390 1.988 10 10 DDCE O=C(CC1(O)CCOCC1)NCc1ccc(N2CCCC2)cc1 906110775 HDRYZYXTQKRLJY-UHFFFAOYSA-N 318.417 1.835 10 10 DDCE CN1C[C@]2(C)CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@@]2(C)C1 913280266 BNWJSUKCGJKIPB-JORFTBQQSA-N 316.401 1.911 10 10 DDCE O=C(NCc1ccccc1O)NCC1(C2(O)CCOCC2)CC1 915517970 OAXNJOLTZZDICG-UHFFFAOYSA-N 320.389 1.513 10 10 DDCE NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)NCCc1ccc(N)cc1 841960652 UTUOJQPHPNONDS-CABCVRRESA-N 318.421 1.545 10 10 DDCE NC(=O)NCC(=O)N(Cc1ccco1)Cc1ccccc1O 743429497 QFJUSVIUCCGZDO-UHFFFAOYSA-N 303.318 1.182 10 10 DDCE COc1cccc(CNC(=O)NC[C@@H](OC)[C@H]2CCOC2)c1O 854276348 NBFSXKJGBRIORX-GXTWGEPZSA-N 324.377 1.252 10 10 DDCE CCON(CC)C(=O)CNCc1cc(F)c(N(C)C)cc1F 858223475 TXEWIXVEBSDFMU-UHFFFAOYSA-N 315.364 1.920 10 10 DDCE COC(=O)[C@H]1C[C@@H](N(C)C(=O)/C=C\c2ccc(O)c(O)c2)C1 856214232 OKDCXGTVSNDYBT-STNZKUDTSA-N 305.330 1.521 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@H]1COCCN1CC(F)F 928708751 SFADOGINFPVBRU-LLVKDONJSA-N 318.295 1.113 10 10 DDCE CC[C@@H](Cn1cncn1)N[C@@H]1CCN(c2ccc(OC)cc2)C1 850487899 JYTONYIGPCNIMV-LSDHHAIUSA-N 315.421 1.934 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCO[C@H]3C)C2)cc1 855225466 JHHKDNDWRUDWQI-XEZPLFJOSA-N 304.390 1.815 10 10 DDCE COC[C@H](CCNC(=O)NCc1ccc(OC)cc1O)OC 852448389 KTCAFKJPCWDERI-ZDUSSCGKSA-N 312.366 1.252 10 10 DDCE COc1cc(C)cc(CN(C)C[C@@H]2CCS(=O)(=O)C2)c1O 754742135 QLAYPRDZGHGDHV-LBPRGKRZSA-N 313.419 1.576 10 10 DDCE COc1ccc(N2CC[C@@H](Nc3ncnc(N)c3OC)C2)cc1 853759917 DQTPSZRZKIABRI-LLVKDONJSA-N 315.377 1.767 10 10 DDCE COCCN1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1O 868281330 OTILOQZJXCGJFM-KBPBESRZSA-N 321.421 1.863 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCO[C@H](CCF)C2)c1O 862529721 GLUZKMSYZBBPGY-LLVKDONJSA-N 314.313 1.869 10 10 DDCE CCOC(=O)[C@H]1CN(Cc2ccc(N(C)CC)cc2)CCO1 773756719 YKFNCDMWOOTQBQ-MRXNPFEDSA-N 306.406 1.907 10 10 DDCE COc1ccc(N2CC[C@H](CNC[C@H](O)CC(C)(C)O)C2)cc1 872210014 FUDIVBZMELYAKS-GDBMZVCRSA-N 322.449 1.633 10 10 DDCE C[C@@H](NC(=O)NCc1cn(C)nn1)c1ccc(N(C)C)cc1 773441353 OFSQKPABNIAOFG-LLVKDONJSA-N 302.382 1.442 10 10 DDCE CCOC(=O)[C@H](CC1CC1)NC(=O)/C=C\c1ccc(O)c(O)c1 779530607 KGYFVOBMEHPZKR-WOLRVDTOSA-N 319.357 1.959 10 10 DDCE Cc1cc(Br)c(O)c(CNc2nnc(CO)o2)c1 779518409 CFIWACDFKNRARL-UHFFFAOYSA-N 314.139 1.951 10 10 DDCE O=C(Cn1ncnn1)Nc1c(-c2ccccn2)nc2ccccn12 1126864145 QTZPGYHNYGVWPI-UHFFFAOYSA-N 320.316 1.022 10 10 DDCE COC(=O)C1CC(NC(=O)c2cc3cc(O)c(O)cc3s2)C1 899177505 VOIZBOXXQBZBEA-UHFFFAOYSA-N 321.354 1.994 10 10 DDCE CC(=O)c1cn(C2CN(Cc3cc(F)cc(F)c3O)C2)nn1 897941279 VBFBYPHCMVXFFS-UHFFFAOYSA-N 308.288 1.521 10 10 DDCE CC[S@](=O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 896284497 DVAPEEXBGQKEOT-FQEVSTJZSA-N 313.400 1.811 10 10 DDCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)S(C)(=O)=O 1151376176 OAHZGWMLKHDMNK-QMMMGPOBSA-N 312.351 1.012 10 10 DDCE COCC(COC)S(=O)(=O)N[C@@H](C)c1ccccc1O 882502698 NOBUUQTVPAJTDE-JTQLQIEISA-N 303.380 1.034 10 10 DDCE O=C(COc1ccc(CO)cc1)NCCc1ccc(O)c(O)c1 1150487933 KZDBCWQUDQIJEF-UHFFFAOYSA-N 317.341 1.328 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1C[C@H](O)[C@H](O)C1 1303828176 JGSAUFASQVHNBX-DEZZGGKRSA-N 320.414 1.770 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H](S(C)(=O)=O)C2)c(Cl)c1 2123343985 ZBTIYPJJIHUYCT-MWLCHTKSSA-N 302.827 1.983 10 10 DDCE C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1331929632 QEJOXXDIARDFMF-VXGBXAGGSA-N 302.374 1.739 10 10 DDCE CC[S@@](=O)(=NS(=O)(=O)Cc1ccc(N)cc1)C(C)C 1913863908 WHPGTNLDRWTNKT-SFHVURJKSA-N 304.437 1.995 10 10 DDCE CS(=O)(=O)c1ccsc1[C@H](NCCCN=[N+]=[N-])C(=O)O 1912175267 KDWOQXRTXCJJKM-QMMMGPOBSA-N 318.380 1.567 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCCN(S(=O)(=O)C[C@@H]2CCCO2)C1 1912174057 URWBHYICTLNUME-NEPJUHHUSA-N 302.400 1.908 10 10 DDCE 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1.956 10 10 DDCE CCOC[C@H](C)CS(=O)(=O)Nc1ccc(O)cc1C(=O)O 844782919 MDDSVADFLPIIIQ-VIFPVBQESA-N 317.363 1.505 10 10 DDCE COCc1cc(O)ccc1NS(=O)(=O)C[C@H](OC)C(C)C 842585450 ADQOYMXXSGWGOE-AWEZNQCLSA-N 317.407 1.951 10 10 DDCE COC1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 843537563 XOQMIQXBEJRULM-CYBMUJFWSA-N 304.390 1.879 10 10 DDCE Nc1ccc(NC(=O)N2CCCC[C@H]2CN2CCOCC2)cc1 841300559 TYOBMJRHEHQKTN-INIZCTEOSA-N 318.421 1.987 10 10 DDCE C[C@H](O)[C@H]1CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CCO1 844210451 YDMDNDHJXBSLHK-DFLQDCCYSA-N 322.317 1.279 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc([C@]2(N)C[C@H]2C(=O)O)c1O 1952996154 NCJCQYWMZMCJKW-BJOHPYRUSA-N 308.334 1.998 10 10 DDCE CC[C@@H](O)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854298977 DDIYHQWOXLRKNO-UKRRQHHQSA-N 321.421 1.734 10 10 DDCE CS(=O)(=O)CC1(CCNC(=O)c2cccc(O)c2O)CC1 855214746 CRGHWUXPAONCBU-UHFFFAOYSA-N 313.375 1.043 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCSC[C@@H]2CCO)cc1 759697065 PLASWLZAPPXGMI-HNNXBMFYSA-N 323.462 1.762 10 10 DDCE COc1ccc(N(C)CCN(C)C[C@@H]2C[C@@H]3COC[C@H]3O2)cc1 930853624 WBSORLTXSOXQIH-FHLIZLRMSA-N 320.433 1.867 10 10 DDCE Cc1cc(O)c(CN2CCO[C@H](CC(N)=O)C2)cc1C(C)C 863324636 FIPWPMZLULXHRG-CQSZACIVSA-N 306.406 1.900 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@]23CCCC[C@@H]2C3)c1 870533261 BSCNYHOYLIDXRD-MEBBXXQBSA-N 324.402 1.826 10 10 DDCE COCCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCOC1 787850207 VWYBNOPVOCHJDY-HSBHDXMMSA-N 307.346 1.375 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2[C@H]3CCC[C@H]32)c1 787720855 MAMWIEFAQGWZKE-DDFAGTSDSA-N 310.375 1.292 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H](NS(C)(=O)=O)C2)c(Cl)c1 703140343 YWZWLHPOHFBZMN-ONGXEEELSA-N 317.842 1.488 10 10 DDCE O=C(NC[C@@H]1COc2ccccc2O1)c1cccc(O)c1O 790471182 GFXVWSJPGDDLGP-SNVBAGLBSA-N 301.298 1.668 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1cnn2c1OCCC2 1142730928 IGFUASTWDPWQDS-UHFFFAOYSA-N 324.340 1.849 10 10 DDCE COc1nsc(OC)c1C(=O)NCc1ccc(O)cc1O 1639448154 PNXKZXFGAYZJEH-UHFFFAOYSA-N 310.331 1.502 10 10 DDCE CCN1CC[C@@](O)(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1569764434 AHSHJTJGWRTKGR-OAHLLOKOSA-N 319.365 1.036 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2ccn(C)n2)cc1C 1491673274 HHYHFMORGJIIEN-CYBMUJFWSA-N 316.405 1.645 10 10 DDCE Cn1c(C(=O)NCc2ccc3cccnc3c2O)cccc1=O 1630531716 BIQXIYMEKLXGQO-UHFFFAOYSA-N 309.325 1.569 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H](CO)C[C@H]2CCCO2)cc1 1645516870 UZGMJWYSRHARLJ-CHWSQXEVSA-N 320.349 1.509 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2ccc(-n3nnnc3C)cc2)c1 1641733259 OIEAOUCOQYTHTJ-UHFFFAOYSA-N 323.356 1.915 10 10 DDCE C[C@@H](c1ccc(Cl)cc1O)N1C[C@H]2C[C@H]1CS2(=O)=O 2138553266 LVSGQDNFVRXOTF-INTQDDNPSA-N 301.795 1.978 10 10 DDCE CN(C)c1ccc(CNC(=O)c2ccc(CO)nc2)cc1F 1598029245 SNZHOXFOIUHJMV-UHFFFAOYSA-N 303.337 1.709 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2cn[nH]c2)cc1C 1699354278 ONNADPIVXKFNPK-GFCCVEGCSA-N 302.378 1.635 10 10 DDCE C[C@@H]1C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)N1C(=O)OC(C)(C)C 1961043498 VBBMBOSZORAWEF-DDHJBXDOSA-N 310.394 1.650 10 10 DDCE CC(C)(C)OC(=O)NC1([C@H](O)[C@H](N)c2ccccc2O)CC1 1934385128 JIVJCURYEGGDBG-CHWSQXEVSA-N 308.378 1.810 10 10 DDCE CN1CCN(/N=N/c2ccc(N3CCN(C)CC3)cc2)CC1 1860486110 OCQYOOMEJONOBW-ISLYRVAYSA-N 302.426 1.685 10 10 DDCE CCN(CCC(=O)O)c1ccc2c(c1)CC(=O)N2CCCO 259562609 XDNYLMPSGSGJLY-UHFFFAOYSA-N 306.362 1.259 10 10 DDCE CNCc1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)cc1Cl 2143673866 IFTLLIBGRWDMHZ-LLVKDONJSA-N 316.854 1.930 10 10 DDCE O=S1(=O)C[C@@H]2CN(Cc3cc(F)cc(F)c3O)C[C@H]2C1 2144164261 FXRSAPCWCFSOJJ-UWVGGRQHSA-N 303.330 1.147 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl 2144167961 XLLIONXGAZAFTO-MXWKQRLJSA-N 314.838 1.841 10 10 DDCE Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1963818081 SNYJSWDKMNYWKK-JTQLQIEISA-N 323.357 1.412 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC[C@H]3[C@@H](C2)C3(F)F)cc1 2152119890 BJRQMYOHPSRKTJ-NWDGAFQWSA-N 302.346 1.686 10 10 DDCE CN[C@@H](C)c1ccc(N2CCS(=O)(=O)CC2)c(Cl)c1 61695427 OESJZGMFHZFFMN-JTQLQIEISA-N 302.827 1.855 10 10 DDCE Cc1cc(NS(=O)(=O)N2CCC[C@H]2CO)c(C)cc1O 2161901569 AZWNBXQQYXRRPB-NSHDSACASA-N 300.380 1.122 10 10 DDCE CN(Cc1nnnn1C)c1ccc(CO)cc1Br 707627795 TYWGHDHEVHHHKN-UHFFFAOYSA-N 312.171 1.101 10 10 DDCE C[C@@]1(C(F)F)C[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2177405980 BTSBQFKZAAZZSW-GXFFZTMASA-N 304.362 1.980 10 10 DDCE CN(C)C1[C@@H]2CN(c3ccc(CN)c(Br)c3)C[C@@H]12 384670193 XTTIRBKFTUUBLK-VXGBXAGGSA-N 310.239 1.904 10 10 DDCE CNCc1ccc(N(C)CC[S@](C)=O)cc1Br 399094113 PSWLPTXIOJTHIC-KRWDZBQOSA-N 319.268 1.983 10 10 DDCE O=S1(=O)C[C@@H]2C(CNCc3cc(F)cc(F)c3O)[C@H]2C1 2174617095 HOYIQSRSWNYMNZ-GHMZBOCLSA-N 303.330 1.051 10 10 DDCE O=C1N[C@H]2CN(Cc3cc(Br)ccc3O)C[C@H]2O1 2056807428 IACUYNVFEYCFNO-GXSJLCMTSA-N 313.151 1.447 10 10 DDCE COC(=O)c1cnc(SCC2(S(C)(=O)=O)CC2)s1 2208641720 BBBMVAVJNXRRTO-UHFFFAOYSA-N 307.418 1.599 10 10 DDCE CCOC(=O)CCCS(=O)(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2234166002 IVSMXFNQGHIFDS-ZJUUUORDSA-N 304.372 1.481 10 10 DDCE COC(=O)CN1C(=O)C(=Cc2ccc(O)cc2)SC1=S 2293080752 YWBCNWKMYRDWRT-UHFFFAOYSA-N 309.368 1.766 10 10 DDCE CC(C)(NC(=O)C=Cc1ccc(N2CCOCC2)cc1)C(=O)O 2311968532 NYBOSAKICLNPIS-UHFFFAOYSA-N 318.373 1.516 10 10 DDCE CCS(=O)(=O)N(C)Nc1nc2c(s1)[C@H]1CC[C@@H](C2)N1 2339735243 GVJKIAGAANSDNM-JGVFFNPUSA-N 302.425 1.101 10 10 DDCE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1cc([N+](=O)[O-])ccc1O 173396245 USILYRVLQHSLIE-UWVGGRQHSA-N 316.379 1.554 10 10 DDCE Cc1cc(N2CC[C@H](N(C)Cc3ccccc3O)C2=O)n(C)n1 173359292 DHVUJEKSNXHYNV-AWEZNQCLSA-N 314.389 1.671 10 10 DDCE CCOc1ccc(O)c(CN2CC[C@@H](N3CCOCC3)C2)c1 121069436 CFGSFNYZHKYLAE-OAHLLOKOSA-N 306.406 1.697 10 10 DDCE COc1cccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1O 180232526 PLTKBNAEBIQPAN-HIFRSBDPSA-N 306.406 1.553 10 10 DDCE CC(=O)c1cccc(NC(=O)CN2C(=O)CSC2=S)c1 82333325 RIRFMYBZOYJVMQ-UHFFFAOYSA-N 308.384 1.688 10 10 DDCE COc1cc(Cl)c(N2C[C@@H](O)[C@@H](O)[C@H]2CF)c(OC)c1 2368287130 DQGUBULDXHQNIM-BREBYQMCSA-N 305.733 1.237 10 10 DDCE COC(=O)CCCS(=O)(=O)Nc1ccc(O)c(Cl)c1 85204588 YGNVXJOHZNXCPK-UHFFFAOYSA-N 307.755 1.741 10 10 DDCE O=C(O)[C@@H]1CS[C@H](c2cc(Cl)c([N+](=O)[O-])cc2O)N1 83236622 OQOZHQIOCLMMKU-IMTBSYHQSA-N 304.711 1.742 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 808545197 RXKDRENISBZXBS-LBPRGKRZSA-N 324.377 1.052 10 10 DDCE CN1CCN(Cc2cc(C=O)cc(Br)c2O)CC1 642880514 WAIIVUNIQUPQFU-UHFFFAOYSA-N 313.195 1.715 10 10 DDCE CCON(C)C(=O)CNCc1ccc(Br)cc1O 826139527 FTHPEDDXQHFKEZ-UHFFFAOYSA-N 317.183 1.654 10 10 DDCE COC(=O)[C@@H]1CO[C@H](CCC(=O)NCc2ccccc2O)C1 821060847 LOMFSQQTSKXVQG-QWHCGFSZSA-N 307.346 1.367 10 10 DDCE CN1C[C@H](O)C[C@]1(C)C(=O)NCCCSc1nccs1 900683886 RUVUUFKWWBHUSD-ZWNOBZJWSA-N 315.464 1.197 10 10 DDCE COC(=O)[C@]12C[C@H](N)C[C@H]1CN(Cc1cccc(Cl)c1O)C2 903976843 DGLRGRGTELBVCN-OZVIIMIRSA-N 324.808 1.758 10 10 DDCE CCOc1cccc(CN2C[C@H](C)N(CCO)C[C@@H]2C)c1O 841892494 ZSHUWLNGZCXGJN-KBPBESRZSA-N 308.422 1.678 10 10 DDCE Cc1cc(O)c(CNCCNC(=O)c2cc[nH]n2)c(Cl)c1 840937654 TZPDREBHMLTJSH-UHFFFAOYSA-N 308.769 1.597 10 10 DDCE CO[C@H](CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C(C)C 842587407 DVCFOHXQSHTTQX-GFCCVEGCSA-N 318.351 1.713 10 10 DDCE C[C@@H](NC(=O)C[C@]1(C(=O)O)CCOC1)c1ccc(N(C)C)cc1 849181894 XWCWFKVEQIPXBM-SJKOYZFVSA-N 320.389 1.811 10 10 DDCE COc1cc(O)c(CN2CC[C@@H](C)[C@H](C(=O)O)C2)cc1OC 843041842 XMZPFWQZNVODIN-ZYHUDNBSSA-N 309.362 1.952 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)c2c[nH]ccc2=N)cc1 846697887 XSQAFFQOMAEIBG-UHFFFAOYSA-N 314.389 1.711 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3[C@H]4COC[C@H]3C4)c(Br)cc21 1899636341 WLRVGXWUWPKMTR-QHMRUWFYSA-N 324.178 1.379 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3ccc(C=O)[nH]3)C2)cc1 855232926 ZRBFLIBWPODSGL-GFCCVEGCSA-N 313.357 1.845 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@H](O)c3cnc[nH]3)ccc21 865054060 OVQVJXZSOCRIPJ-OAHLLOKOSA-N 300.362 1.142 10 10 DDCE C[C@@H](NC(=O)NCCOCCCN)c1ccc(N(C)C)cc1 861620435 FDVWLAVZWZSSRD-CYBMUJFWSA-N 308.426 1.478 10 10 DDCE O[C@@H]1CC[C@H]2CCN(Cc3ccc(N4CCOCC4)cc3)[C@H]21 931333005 QCXGHIJUKBPMSM-CGTJXYLNSA-N 302.418 1.868 10 10 DDCE CON(C)C(=O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 775260895 RCQBKOSOKAHHJA-ZDUSSCGKSA-N 307.394 1.194 10 10 DDCE COc1cc(O)c(CNC2(c3nn[nH]n3)CCCC2)cc1OC 779431836 FHLQYQYANNAVEB-UHFFFAOYSA-N 319.365 1.482 10 10 DDCE Cc1cc(Br)c(O)c(CNC[C@@H]2COCCO2)c1 781627183 PUGMANKDRNQOHT-LLVKDONJSA-N 316.195 1.968 10 10 DDCE Nc1ccc(Cn2c(=O)c(Cc3ccco3)nn3cnnc23)cc1 82719395 UXZUMRDJHRZRLU-UHFFFAOYSA-N 322.328 1.100 10 10 DDCE O=C(CCNCc1c(O)cccc1Br)NC1CC1 706851987 FNCHQWDMDMDGIN-UHFFFAOYSA-N 313.195 1.913 10 10 DDCE COc1cc(NS(=O)(=O)c2ccc3c(c2)OCO3)ccc1O 797820391 VMQULFMDWFLECC-UHFFFAOYSA-N 323.326 1.930 10 10 DDCE O=S1(=O)C[C@H]2[C@H](CNCc3cccc(Cl)c3O)[C@H]2C1 2117988794 QVRMEGMSFVCUHR-RTCCRHLQSA-N 301.795 1.426 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCOC[C@H]1C(F)(F)F 1320030115 CSYDABPMYJOUGB-QQHVMHFCSA-N 317.263 1.901 10 10 DDCE NC(=O)c1csc(CNC(=O)N2Cc3cccc(O)c3C2)n1 1253222075 RRDVQPLWMWVEKO-UHFFFAOYSA-N 318.358 1.173 10 10 DDCE CSC1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1332056472 CUGKYYZCUFMXDY-UHFFFAOYSA-N 320.414 1.588 10 10 DDCE C[C@@H](O)CNC[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1270604563 RSJURTGHEQCURY-GHMZBOCLSA-N 321.381 1.185 10 10 DDCE CC(C)C[C@H](NS(C)(=O)=O)C(=O)N(C)CCCN=[N+]=[N-] 1912187598 IOLCBTJBGDFJIR-JTQLQIEISA-N 305.404 1.109 10 10 DDCE Cn1nnc(Br)c1C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912203080 OGDVGHWHWAEXBK-ZCFIWIBFSA-N 314.147 1.350 10 10 DDCE C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1O 1471194275 HDGSNJHBAILWFJ-NSHDSACASA-N 309.329 1.859 10 10 DDCE CC(=O)Nc1ccc(C(=O)NCc2c(O)cccc2F)nc1 1471975970 OXFIIEWVXRDBRK-UHFFFAOYSA-N 303.293 1.815 10 10 DDCE NC(=O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)nc1Cl 1471355624 NYIBVJLYBRGHGK-UHFFFAOYSA-N 317.732 1.696 10 10 DDCE O=C(CNC(=O)c1ccsc1)NCc1c(O)cccc1O 1472062987 BAONWAVSSJEYRI-UHFFFAOYSA-N 306.343 1.206 10 10 DDCE CCNC(=O)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1623549652 HDKVDEXMQZTHSQ-UHFFFAOYSA-N 303.406 1.771 10 10 DDCE O=C(O)c1sccc1S(=O)(=O)NCc1ccccc1O 228403028 QPONDGZVNAKFLV-UHFFFAOYSA-N 313.356 1.630 10 10 DDCE Cn1ccnc1[C@@H]1N(C(=O)Cc2ccc(O)c(O)c2)CC1(C)C 1628017628 HUWDWKGGURRSQF-HNNXBMFYSA-N 315.373 1.984 10 10 DDCE CCC[C@H](O)[C@@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 1556966581 MBMNYDCVLKGCFB-NEPJUHHUSA-N 308.338 1.101 10 10 DDCE CC(C)c1n[nH]c(CNC(=O)NCc2c(O)cccc2F)n1 1635600484 RDFCDRCGLACRIC-UHFFFAOYSA-N 307.329 1.772 10 10 DDCE Cc1cc2[nH]nc(NC(=O)c3cc(O)cs3)c2c(=O)n1C 1639710789 VFSNCJUZTDUBGX-UHFFFAOYSA-N 304.331 1.589 10 10 DDCE COc1cc(CCO)ccc1NC(=O)c1cccc(O)c1O 1568381337 CRJJFNYHZYLQHB-UHFFFAOYSA-N 303.314 1.894 10 10 DDCE CNC(=O)c1cccc(C(=O)NCc2ccc(O)cc2O)c1 1570462514 WKEKXPMDGBOYCR-UHFFFAOYSA-N 300.314 1.387 10 10 DDCE NC(=O)C(F)(F)CNCc1cccc(Br)c1O 1942148242 QLDRQXXYSQRKJA-UHFFFAOYSA-N 309.110 1.365 10 10 DDCE CC(C)N(CCS(C)(=O)=O)Cc1ccc(F)c(F)c1O 876773734 WRVSMWHSBREMPW-UHFFFAOYSA-N 307.362 1.925 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1ccccc1O 1989954409 SMOFRXLEJFYDAC-LBPRGKRZSA-N 324.377 1.284 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCN1Cc1cc(F)cc(F)c1O 2151231405 WQADGCAJNUOKPB-NSHDSACASA-N 305.346 1.679 10 10 DDCE O=C1NC[C@@H](CNCc2cccc(Br)c2O)O1 2013568800 RTCCKKRVRWCASC-MRVPVSSYSA-N 301.140 1.353 10 10 DDCE N[C@@]1(C(=O)O)CCN(Cc2ccc(Br)cc2O)C1 691488990 DUFRXAPDJYBNHL-LBPRGKRZSA-N 315.167 1.143 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@H](CCF)C3)c2n1 2062026087 WCIPVIABIQDLQB-LLVKDONJSA-N 306.341 1.955 10 10 DDCE O=C(NC1CC1)c1cn(Cc2c(O)cccc2Cl)nc1O 2070654310 PCXMDPCBHUJDLY-UHFFFAOYSA-N 307.737 1.888 10 10 DDCE CCS(=O)(=O)[C@@H]1CCN(c2c(F)cc(CO)cc2F)C1 2179898120 DIXVPSJTAPFJHA-SNVBAGLBSA-N 305.346 1.471 10 10 DDCE NCc1cc(F)c(N2[C@H](CO)C[C@@H]3OCC[C@H]32)cc1Cl 2177380110 BZFXBULXJUGGDJ-BHYNMZESSA-N 300.761 1.666 10 10 DDCE O=C(O)[C@@H](NCc1c(O)cccc1Br)C1COC1 2042969684 HWULDUUGEWWPSX-NSHDSACASA-N 316.151 1.344 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H](O)C[C@@H](O)C2)cc1Br 2043130131 WUPXFYQXGNHGDP-FBIMIBRVSA-N 315.211 1.401 10 10 DDCE Cc1cc([C@@H](C)O)ccc1N1CCSC[C@H]1S(C)(=O)=O 2240827567 AGERAZZARPWJJE-BXUZGUMPSA-N 315.460 1.972 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)s1 2284500935 SCTVJAPNRLGAFZ-VXNVDRBHSA-N 315.420 1.727 10 10 DDCE CSc1ncc(CN2C(=O)[C@@H]3CCCN3C(=O)[C@@H]2C)s1 2284665190 KBJDMXKANGYVMS-WPRPVWTQSA-N 311.432 1.587 10 10 DDCE COCCN(CCOC)C(=O)[C@H](C)Cc1ccc(O)c(O)c1 170245343 OEXRUNDCLMFUEP-GFCCVEGCSA-N 311.378 1.398 10 10 DDCE COc1ccc(O)c(CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)c1 114543624 ILZKDMHSHQAJMH-GFCCVEGCSA-N 306.362 1.274 10 10 DDCE CN(CC1CC1)C(=O)CN1CCOc2cc(N(C)C)ccc21 175030243 QFMVRWKYNGZZET-UHFFFAOYSA-N 303.406 1.820 10 10 DDCE CC[C@@H](NCC(=O)NC)c1cc(Br)ccc1O 37224812 OKDQWXZNDWUDHV-SNVBAGLBSA-N 301.184 1.941 10 10 DDCE CCOC(=O)c1cnc(NN(C)S(=O)(=O)C2CCC2)s1 2365271356 NRGNDKNRODKKIW-UHFFFAOYSA-N 319.408 1.461 10 10 DDCE NCc1ccc(N2CCC(C(N)=O)CC2)cc1C(F)(F)F 37306611 AACSHSKELKJBLM-UHFFFAOYSA-N 301.312 1.866 10 10 DDCE CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2)cn1C 182418532 RHEQJRLEUUGABB-UHFFFAOYSA-N 323.374 1.233 10 10 DDCE N[C@@H](c1ccc(OCc2ccccc2)cc1O)[C@H](O)C(=O)O 1952191215 SHHNETUHYDPNSL-GJZGRUSLSA-N 303.314 1.417 10 10 DDCE Cc1nccn1C[C@@H]1CCCN1C(=O)c1cccc(O)c1O 193127547 RRVXQNVPAYNTBU-LBPRGKRZSA-N 301.346 1.908 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 808520800 YOLRPEWOWQRNBM-UHFFFAOYSA-N 319.357 1.664 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](NC(=O)c1cccs1)C(C)C 808498484 TWASAUUIZPWKDL-LBPRGKRZSA-N 311.359 1.204 10 10 DDCE CN1CCCc2cc(CNC(=O)CCc3cnn(C)n3)ccc21 822867759 KJKQGSNGEFDSDR-UHFFFAOYSA-N 313.405 1.447 10 10 DDCE C/C=C\[C@@H](O)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 900999479 USQKITNUZZCPAD-VQTKUKTRSA-N 308.353 1.420 10 10 DDCE N[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)CC(F)F 903919612 FGMHGCXVYXZZQF-GFCCVEGCSA-N 317.355 1.734 10 10 DDCE O=S1(=O)CCN[C@@H](c2cc(Br)ccc2O)C1 1952602395 TZBRCNHDXBGUHT-SECBINFHSA-N 306.181 1.214 10 10 DDCE CCOc1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c(O)c1 742391114 DOOKYBNGJUBGQM-KYOSRNDESA-N 304.390 1.890 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCNC[C@@H]1C 841825178 YHKKQWOKXYOIKS-BBRMVZONSA-N 304.438 1.858 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCN(C3CC3)C2=O)cc1 854271264 AESNIVLWEPKZTK-UHFFFAOYSA-N 316.405 1.269 10 10 DDCE CC[C@@](C)(O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854302036 WXQGYDRGDAPZRA-CXAGYDPISA-N 321.421 1.734 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3nonc3C)C2)cc1 855230641 GQFLGYHXJYGXJF-LLVKDONJSA-N 302.334 1.395 10 10 DDCE CN1CCCc2cc(CNC(=O)NCC34CC(CN3)C4)ccc21 851657050 UHTJKWQEYCOADU-UHFFFAOYSA-N 314.433 1.620 10 10 DDCE COc1cc(COCC(=O)NCc2ccc(O)c(O)c2)ccn1 860243050 DPRFTNWWMFKWFY-UHFFFAOYSA-N 318.329 1.334 10 10 DDCE COc1ccc(N(C)Cc2cnc(C(=O)O)cn2)cc1OC 863462632 UDQIYSJJUWMCOL-UHFFFAOYSA-N 303.318 1.828 10 10 DDCE CCN1CCN(CCC(=O)N2Cc3cccc(O)c3C2)CC1 871202857 NRIYLFQTGJVQAM-UHFFFAOYSA-N 303.406 1.262 10 10 DDCE Cc1nc(F)ccc1/C=C1/SC(N2CCOCC2)=NC1=O 782311103 ACSSDPWJYFLKHG-DHZHZOJOSA-N 307.350 1.832 10 10 DDCE Cc1cn2c(n1)CN(Cc1cc3c(cc1O)OC[C@@H]3O)CC2 782281693 WREYUWXRVSBMFO-AWEZNQCLSA-N 301.346 1.339 10 10 DDCE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2cccc(O)c2O)C1 790940408 JTLJQTHFVSQTSZ-QWRGUYRKSA-N 322.361 1.695 10 10 DDCE CCCS(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1 70250455 QWMZNLHWQSBEFL-UHFFFAOYSA-N 306.409 1.518 10 10 DDCE CC(C)(C)OC(=O)NCC1(NCc2ccc(O)c(O)c2)COC1 705692761 QIVANEVVIGBLAU-UHFFFAOYSA-N 324.377 1.481 10 10 DDCE Nc1nc(C2CC2)ncc1C(=O)NCc1ccc(O)cc1O 1142533474 LRFCORDDTFWMAE-UHFFFAOYSA-N 300.318 1.277 10 10 DDCE CC(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)N1CCCC1 1163227047 PQAQKJMKVVKCJB-INIZCTEOSA-N 320.389 1.404 10 10 DDCE CCS(=O)(=O)[C@H]1CCN(c2ccc(CN)c(Cl)c2)C1 2123321621 UCEYKYDSYAZFHM-LBPRGKRZSA-N 302.827 1.812 10 10 DDCE C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1cc(O)ccc1O)CS2 1176747869 DJKJVMJBIWFGTL-ABAIWWIYSA-N 322.386 1.168 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)c1cc2n(n1)CCC[C@H]2O 1469876369 FPQYUPKIYVXDTH-CQSZACIVSA-N 321.764 1.999 10 10 DDCE Cc1csc2nc(CC(=O)NCc3ccc(O)cc3O)cn12 1469161216 ICPLGGMUOCCXKA-UHFFFAOYSA-N 317.370 1.974 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC[C@@H]2CCSC2)cc1 228546454 YALGFTVDEWWYPG-NSHDSACASA-N 316.448 1.320 10 10 DDCE CC(C)[C@@H](CN)NCc1cc(Br)c(O)cc1O 2248031388 AEGUDSQAXFMTIH-SNVBAGLBSA-N 303.200 1.933 10 10 DDCE COc1ccc(CNC(=O)c2cncc(C(C)=O)c2)c(O)c1 1635042914 WRKJPNXTNZRKKL-UHFFFAOYSA-N 300.314 1.928 10 10 DDCE C[C@@]1(C(F)(F)F)CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1635999293 MGZLESRAAZNDPA-ZDUSSCGKSA-N 319.279 1.820 10 10 DDCE Cc1nnc2ccc(C(=O)NCc3c(O)cccc3F)cn12 1645048073 FWSQCMSBPMWTKK-UHFFFAOYSA-N 300.293 1.812 10 10 DDCE COc1ccc(N(C)Cc2coc(S(N)(=O)=O)c2)cc1F 1644865831 IQNKTUPBVFQROX-UHFFFAOYSA-N 314.338 1.711 10 10 DDCE CS(=O)(=O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)o1 1644088050 CVXCUPXOYAULHO-UHFFFAOYSA-N 307.327 1.545 10 10 DDCE CN(C)c1cccc(NC(=O)c2cccc(-n3cnnn3)c2)c1 1871277737 CNADITXUQUBOKB-UHFFFAOYSA-N 308.345 1.981 10 10 DDCE NCc1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c(F)c1F 2151270887 ABNQALUBUNSENK-KOLCDFICSA-N 302.346 1.047 10 10 DDCE C[C@H](NCc1cccc(F)c1O)[C@@H]1CCCS(=O)(=O)C1 2146099698 GRIGBUFNUPOIMZ-CMPLNLGQSA-N 301.383 1.834 10 10 DDCE CN([C@H]1CCN(c2ccc(CN)cc2Cl)C1)S(C)(=O)=O 2146920476 UJPUQGRLTSIUQM-NSHDSACASA-N 317.842 1.269 10 10 DDCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)c1ccnn1Cc1ccccc1 1994375705 YSSUWIPCNYEJRB-HNNXBMFYSA-N 313.365 1.532 10 10 DDCE CC[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1994989757 SXOJKSSUEJFKMM-UWCDFFNFSA-N 324.421 1.945 10 10 DDCE NOCCCS(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2152904539 MLDVLXUBZNGJBA-UHFFFAOYSA-N 314.285 1.433 10 10 DDCE CC1(C)CN(c2ccc(CO)cc2Br)CC(=O)N1 2033062521 AELBYIPDCAQPOR-UHFFFAOYSA-N 313.195 1.656 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCCCn3cncc3C)c2n1 2062521633 PUHPALARGAGLPI-UHFFFAOYSA-N 314.349 1.068 10 10 DDCE CN(C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1ccc(CN)c(Cl)c1 2174646974 IUHLDUPDHNJIGO-XYYAHUGASA-N 314.838 1.526 10 10 DDCE C[C@H]1[C@@H](C)N(c2c(F)cc(CO)cc2F)CCS1(=O)=O 2170324250 RFESVBCXFAVJPQ-BDAKNGLRSA-N 305.346 1.469 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)c1ccc(CO)o1 2101574403 XRARJIAPBUUTMJ-UHFFFAOYSA-N 303.723 1.932 10 10 DDCE CN(C)c1ccc(CNCc2nn(C)nc2Br)cc1 2111441137 NDPSYGQQMLEEJE-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](COc2nnc(=N)[nH]n2)C1 2210658875 VRMSWVRXAQTLNN-NXEZZACHSA-N 324.385 1.141 10 10 DDCE O=C(Nc1nccc(Br)n1)c1cc(O)nc(O)c1 2259426639 USNXKCVQINJKCT-UHFFFAOYSA-N 311.095 1.298 10 10 DDCE NCc1ccc(N2CCC[C@@H]3CNC(=O)[C@H]32)c(Br)c1 2264599228 OOWDGYHUACDJBZ-MFKMUULPSA-N 324.222 1.623 10 10 DDCE CSc1ncc(CNC(=O)N[C@H]2CC[C@@H]2C(=O)O)s1 2269132081 BJDBGQXWSDFFLN-YUMQZZPRSA-N 301.393 1.527 10 10 DDCE CSc1ncc(CNCC2(O)CC(C(=N)NO)C2)s1 2269257008 HHNVDHADIUPNFE-UHFFFAOYSA-N 302.425 1.052 10 10 DDCE CSc1ncc(CNC(=O)c2nc(=N)[nH]cc2Cl)s1 2269316059 DPLSZFZYLJBHOA-UHFFFAOYSA-N 315.811 1.651 10 10 DDCE COC(=O)NC1CN(c2ccc(CO)cc2Br)C1 2326870616 PIYLYAORGGHWSP-UHFFFAOYSA-N 315.167 1.486 10 10 DDCE C[C@@H](NCC(F)(F)CO)c1ccc(N2CCOCC2)cc1 184699244 OYZYLBCQGQAODK-GFCCVEGCSA-N 300.349 1.801 10 10 DDCE O=C(CNC(=O)c1ccccc1)NCc1cccc(O)c1O 216815158 RAXMXSJOMAFFBL-UHFFFAOYSA-N 300.314 1.144 10 10 DDCE CC[C@@H]1C(=O)NCCN1c1ccc(CN)cc1Br 212879683 UIPMQWRLZQDSPX-LLVKDONJSA-N 312.211 1.623 10 10 DDCE C[C@@H](NC[C@H]1CCCS1(=O)=O)c1ccc(F)c(F)c1O 187797160 OZPKBFDIQCNPCE-RKDXNWHRSA-N 305.346 1.898 10 10 DDCE COC(=O)[C@H](NCCN=[N+]=[N-])c1ccc(Br)cn1 135325583 MUWMBZMOLKXPJF-SECBINFHSA-N 314.143 1.958 10 10 DDCE CC(C)[C@@H](O)C(C)(C)NS(=O)(=O)Cc1ccc(N)cc1 2365914967 AFLWWLNIBQBYKT-CYBMUJFWSA-N 300.424 1.484 10 10 DDCE [N-]=[N+]=NCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 42012785 VGLQURKXYJBAOP-UHFFFAOYSA-N 305.703 1.837 10 10 DDCE Cc1ccc([C@@H](C)NCCCS(=O)(=O)N(C)C)c(O)c1 2367618394 VPJMSJADXMPYBB-GFCCVEGCSA-N 300.424 1.633 10 10 DDCE C[C@@H](O)CN(Cc1ccc(N2CCOCC2)cc1)[C@H](C)CO 249107628 QVEIPZFKFLHFAJ-HUUCEWRRSA-N 308.422 1.087 10 10 DDCE Cc1oc(C(=O)N(C)Cc2ccccc2O)cc1S(C)(=O)=O 528830005 ZMZBUJCFKAARAB-UHFFFAOYSA-N 323.370 1.969 10 10 DDCE C[C@@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)CC[C@H]1C 253058514 BQQIOJXVOJIPEZ-CHWSQXEVSA-N 312.435 1.955 10 10 DDCE C[C@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC(=O)NC1 281425399 AHFFSYNPELPZCR-SFHVURJKSA-N 316.401 1.804 10 10 DDCE C[C@@H]1CCN(CC(=O)N2CCOc3cc(N(C)C)ccc32)C1 568200120 QFTRAXJWVXQZPR-CYBMUJFWSA-N 303.406 1.820 10 10 DDCE COc1cc(CN2CCOC[C@@H](O)C2)c(O)c(C(C)(C)C)c1 826043375 IHCVQILQMZFRNM-ZDUSSCGKSA-N 309.406 1.891 10 10 DDCE c1cc(N2CCOCC2)ccc1Cn1cc(CNC2CC2)nn1 900601369 OTONTUPTIRKYJS-UHFFFAOYSA-N 313.405 1.415 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)CCc2cn(C)nn2)c1 830541525 ZIDWMHYGCHUZCH-JTQLQIEISA-N 304.350 1.339 10 10 DDCE CC(C)(C)OC(=O)N1CC([C@H](N)Cc2ccc(O)c(O)c2)C1 1952901887 IMUPBOBAJQUMTN-GFCCVEGCSA-N 308.378 1.835 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cnc(C)[nH]3)C2)cc1 855231421 MFHXUJMTWGPTIS-GFCCVEGCSA-N 300.362 1.735 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)/C=C\c3cnccn3)C2)cc1 855233388 XZPRFKLDITZZHW-SJXOGVDTSA-N 324.384 1.894 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@]2(OCCO)CCOC2)cc1 850358686 UIIFINCHDWBJMC-OAJJDEHYSA-N 320.433 1.523 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)CCNC3)C2)cc1 851640532 XJPJATYZJUALJE-GUYCJALGSA-N 303.406 1.390 10 10 DDCE COC[C@H](CCNC(=O)NCc1ccc(N(C)C)cc1)OC 852449105 RCMPKAWRWFIYNR-HNNXBMFYSA-N 309.410 1.603 10 10 DDCE O=S1(=O)CC(C2CN(Cc3cc(Cl)cc(F)c3O)C2)C1 895428968 SSJUSDQMAGIGKF-UHFFFAOYSA-N 319.785 1.661 10 10 DDCE Oc1c(F)cc(Br)cc1CN1CC[C@@H](O)[C@@H](O)C1 895460126 KDHLPXTVPAEISU-MNOVXSKESA-N 320.158 1.221 10 10 DDCE COC(=O)c1c(CN[C@H]2C[C@@H](O)C2)c2cc(F)ccc2n1C 894940065 LBIMJMLOYLEDHX-PHIMTYICSA-N 306.337 1.717 10 10 DDCE CN[C@H](C)c1ccc(N(C)[C@H](C)CS(C)(=O)=O)cc1O 688547139 VOPINUBHTQQHGB-GHMZBOCLSA-N 300.424 1.542 10 10 DDCE CC[C@H](C(=O)NCCCSc1nccs1)C(=O)OC 790635818 HQRWPARUCOMCQS-SECBINFHSA-N 302.421 1.941 10 10 DDCE O=C(C[C@H](O)c1cccc(F)c1)NCc1cc(O)ccc1O 1176747792 AQIKOQUOQPFRIF-HNNXBMFYSA-N 305.305 1.977 10 10 DDCE NC(=O)c1ccc2c(n1)N(C(=O)/C=C\c1cccnc1)CCC2 1278518722 NFRBGLRFNAGSDR-YVMONPNESA-N 308.341 1.568 10 10 DDCE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)CCF 1506067621 RHEBSRGWXMVCAB-SNVBAGLBSA-N 309.345 1.869 10 10 DDCE O=C1C[C@H](C(=O)NCc2cccc(O)c2O)c2ccccc2N1 1455317258 JRROPECIIIUUFF-LBPRGKRZSA-N 312.325 1.840 10 10 DDCE CN(C)c1ccc([C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 1917209309 PHEQFMILMLUMLW-CHWSQXEVSA-N 324.377 1.764 10 10 DDCE C[C@@H]1CCCC[C@@]12CC(=O)NN2C(=O)Cc1ccc(O)c(O)c1 1629316416 XOWXSXJGOJJVFN-PIGZYNQJSA-N 318.373 1.853 10 10 DDCE Cn1ccnc1[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)CCO1 1556988416 KTKVHSHNGGPUHI-MFKMUULPSA-N 317.345 1.481 10 10 DDCE COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1cccc(O)c1O 1624027293 HEGILRTZWFXXBT-BDJLRTHQSA-N 307.346 1.950 10 10 DDCE C[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccccc1O 1643738890 WEJCXZYFFWFVTK-SNVBAGLBSA-N 317.301 1.340 10 10 DDCE COC(=O)c1cnn(CC(=O)NCc2cccc(Cl)c2O)c1 1640405134 NNIWAYMVCKGGMI-UHFFFAOYSA-N 323.736 1.345 10 10 DDCE O=C(CCn1ccccc1=O)NCc1cc(Cl)ccc1O 1583816136 CWJHHFZMJCZTCJ-UHFFFAOYSA-N 306.749 1.914 10 10 DDCE CC(C)NCc1cc(F)c(N2CCOC[C@H]2CO)c(F)c1 168314041 QXIBUPRGBNQWGV-GFCCVEGCSA-N 300.349 1.660 10 10 DDCE O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1CCO 1858587823 CZTHPMJIRMGSKO-XYOKQWHBSA-N 323.395 1.651 10 10 DDCE CN(C(=O)CCN1C(=O)CSC1=S)c1ccc(O)cc1 1865769106 WMLBDRSUAMZUNW-UHFFFAOYSA-N 310.400 1.605 10 10 DDCE COc1cc(O)c2c(c1)C(=O)c1cc(C(=O)O)cc(O)c1C2=O 14775188 HEULMVKOOVHXME-UHFFFAOYSA-N 314.249 1.580 10 10 DDCE biogenic,in-vitro COc1ccccc1NC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878560 HGEOZMLBUACPFS-UHFFFAOYSA-N 310.317 1.505 10 10 DDCE C[C@H](N)c1ccc(N2CCCS(=O)(=O)CC2)cc1Cl 235507947 LRXUZIMJVXMGRD-JTQLQIEISA-N 302.827 1.985 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC1(Br)CC1 1160992494 ZZKNTKQWRDFJRE-UHFFFAOYSA-N 300.152 1.684 10 10 DDCE CNCc1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)c(Cl)c1 2143673588 GJUIVSPWKYQNMI-GFCCVEGCSA-N 316.854 1.930 10 10 DDCE CNCc1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)cc1Cl 2145069807 DSAMXCUVEVUGTG-FZMZJTMJSA-N 314.838 1.683 10 10 DDCE C[C@H](O)CN(Cc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1 1988088689 HAPAQHJYPJOULY-NSHDSACASA-N 317.341 1.827 10 10 DDCE Nc1cccc(Br)c1N[C@H]1CCOC[C@H]1CO 2017858076 QDTDHXPWHDKSMC-KCJUWKMLSA-N 301.184 1.841 10 10 DDCE CNCc1ccc(N2C[C@H](C)S(=O)(=O)[C@H](C)C2)c(F)c1 400918871 UMEXDLVVSURMTE-PHIMTYICSA-N 300.399 1.557 10 10 DDCE CS(=O)(=O)c1cnn(Cc2c(O)cc(O)cc2O)c1Cl 2070246152 UMANKOVLPYIUQL-UHFFFAOYSA-N 318.738 1.105 10 10 DDCE CCCS(=O)(=O)CCN(C)c1ccc([C@H](C)O)c(O)c1 2170465902 CESQDZRSWPCVKX-NSHDSACASA-N 301.408 1.707 10 10 DDCE COc1cc(N2CCSC[C@H]2S(C)(=O)=O)ccc1CO 2204545296 NMWRUWVZJDNDLQ-CYBMUJFWSA-N 317.432 1.111 10 10 DDCE N=C(NO)c1cnc(Sc2nc3nccnc3s2)s1 2278776539 IILSHKNLKXFITP-UHFFFAOYSA-N 310.389 1.998 10 10 DDCE COc1cc(OC)c(N2CCO[C@@H]([C@H](C)O)C2)cc1Cl 2285877525 SNBBJQNBVXYAJG-LKFCYVNXSA-N 301.770 1.943 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)N(CCO)C1CC1 2300315458 UFTFVKDVMYOBAC-UHFFFAOYSA-N 316.401 1.520 10 10 DDCE Cc1cc(C(=O)NCc2ncnn2C)c(C)n1-c1ccccn1 173388208 ZQCXROYXAHFPAA-UHFFFAOYSA-N 310.361 1.548 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N(CCO)Cc3ccccc3)ccc21 302931664 FSLIUDCZLOKYMM-KRWDZBQOSA-N 311.385 1.898 10 10 DDCE C[C@H]1C[C@H](C)CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 70490509 FJJZIXXAIOHECU-STQMWFEESA-N 312.435 1.955 10 10 DDCE C[C@H](NCCCS(N)(=O)=O)c1ccc2ccccc2c1O 45066618 WIROFHRPSVEFAF-NSHDSACASA-N 308.403 1.875 10 10 DDCE COc1cc(Cl)c(N2CC[C@H](O)[C@@H](O)CC2)c(OC)c1 2368103014 JVJXQZDZVJWKRM-RYUDHWBXSA-N 301.770 1.679 10 10 DDCE COC[C@H](O)[C@H](N)c1cc(Cl)cc(Br)c1O 95805305 SBAIUORWYADWSX-DTWKUNHWSA-N 310.575 1.815 10 10 DDCE CCOc1ccc(O)c(CN2CCN(CCOC)[C@@H](C)C2)c1 245794778 WTNJFJWCQSBHIF-AWEZNQCLSA-N 308.422 1.943 10 10 DDCE Cc1cncn1CC(=O)N1CCOc2cc(N(C)C)ccc21 625916221 NLNHZWVYDCFJDI-UHFFFAOYSA-N 300.362 1.683 10 10 DDCE CC(=O)C(=O)COC(=O)CCN(C)C(=O)OCc1ccccc1 808546190 CXXWVAXNVLESBI-UHFFFAOYSA-N 321.329 1.346 10 10 DDCE CCO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)[C@@H]1n1cccn1 819391764 PDTKZMOHIRSWJC-BNOWGMLFSA-N 317.345 1.443 10 10 DDCE CCc1ncnc(CC)c1C(=O)NCc1ccc(O)c(O)c1 815835767 DVISECOGEWUVQU-UHFFFAOYSA-N 301.346 1.943 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]3CN(C)C[C@@H]32)c1O 814173328 JVVWLAKKKSSKTJ-MFKMUULPSA-N 307.350 1.445 10 10 DDCE COc1cccc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c1O 825200340 DCZPDXBRGUZAQQ-JSGCOSHPSA-N 311.403 1.552 10 10 DDCE CN(C)C[C@@]1(O)CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 834564325 JFZGSTIKGOQARA-UABRLCRWSA-N 320.389 1.026 10 10 DDCE COC[C@H]1C(=O)N[C@H](c2cc(OC)cc(C(C)(C)C)c2O)N1C 849182228 DYUOBKZNILUSIH-ZFWWWQNUSA-N 322.405 1.774 10 10 DDCE C[C@H]1CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CC[C@@H](C)O1 849344979 FOLDLXBNXFPAEO-ZJUUUORDSA-N 320.349 1.132 10 10 DDCE CCn1nncc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855227276 UWTHCXGJRDETKX-GFCCVEGCSA-N 315.377 1.315 10 10 DDCE CCOc1ccc(CN[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c(O)c1 850369306 UQEBIHNDYDMHKR-DGCLKSJQSA-N 313.419 1.846 10 10 DDCE CN(C)c1cc(F)c(CN[C@@H](CO)c2ccnn2C)cc1F 858177203 JSFKHIPPFDPAJR-ZDUSSCGKSA-N 310.348 1.588 10 10 DDCE CNC(=O)Cc1nc(COC(=O)c2cc(O)cs2)cs1 754818235 UWAPRVSGFQOKFH-UHFFFAOYSA-N 312.372 1.556 10 10 DDCE Cc1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)c(O)c1O 770480557 AZKMRVODFQQPNW-VIFPVBQESA-N 318.295 1.773 10 10 DDCE NC(=O)CCCCC(=O)NCc1ccc(N2CCCC2)cc1 779740428 PLFBODOQKCCOJX-UHFFFAOYSA-N 303.406 1.949 10 10 DDCE COC(=O)c1c(CN[C@H]2CCOC2)c2cc(F)ccc2n1C 894353588 CJXQJWICEDVKOG-NSHDSACASA-N 306.337 1.983 10 10 DDCE O=C1NC(=S)S/C1=C/c1cnnn1Cc1ccccc1 792858561 KEMOGZGNZPLBRL-IZZDOVSWSA-N 302.384 1.815 10 10 DDCE COc1ccnc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 1151958138 ALEVYBXTIUXJAG-HWKANZROSA-N 300.314 1.831 10 10 DDCE CCO[C@@H]1C[C@@](CO)(NC(=O)Cc2ccc(O)c(O)c2)C1(C)C 1154413040 HOUIEDBMQBSJNK-PBHICJAKSA-N 323.389 1.323 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CC=C[C@H]3CO)c(Br)cc21 2119815056 IDIPQLICYAJFOL-MADCSZMMSA-N 324.178 1.138 10 10 DDCE O=C(c1cccc(O)c1O)N1CCN(C[C@H]2CCCO2)CC1 1290005374 CKMFMTGGQQWMLD-GFCCVEGCSA-N 306.362 1.035 10 10 DDCE CN(Cc1ccccc1O)C(=O)NCc1nnc(O)n1C1CC1 1479163639 ZCKDOSCSRXELOI-UHFFFAOYSA-N 317.349 1.366 10 10 DDCE COC(=O)CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 1540158729 ABRFWNHRLGUNKA-UHFFFAOYSA-N 314.341 1.809 10 10 DDCE CC(=O)Nc1cccc(C(=O)NCc2cccc(O)c2O)c1 1633506940 CRVAOPMEWVGZFY-UHFFFAOYSA-N 300.314 1.986 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCOC12CCOCC2 1637047844 KHDGEHALISRYMX-AWEZNQCLSA-N 307.346 1.095 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/[C@H]1COC(C)(C)O1 1633818079 DLNGHDHASPEPSY-FXOGGVSJSA-N 321.373 1.853 10 10 DDCE CN1CC(=O)Nc2cc(C(=O)NCc3ccccc3O)cnc21 1566373769 DOHSXYZOYUMYPH-UHFFFAOYSA-N 312.329 1.106 10 10 DDCE CO[C@@H](CO)CNCc1cc(Cl)cc(Br)c1O 1963411643 VRAYLPAUCRFMDH-SECBINFHSA-N 324.602 1.905 10 10 DDCE C[C@@H](CNC(=O)c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1962353388 OGFWHJVMRMEMSN-VIFPVBQESA-N 310.350 1.741 10 10 DDCE CN(c1ccc(CO)cc1Br)C1CS(=O)(=O)C1 1946846456 ROYFISWJHNJDTE-UHFFFAOYSA-N 320.208 1.175 10 10 DDCE Cn1nnc(Br)c1CNCc1c(O)cccc1F 1967833628 DHWRNCVHKDNVAA-UHFFFAOYSA-N 315.146 1.712 10 10 DDCE CNCc1ccc(N2CCC[C@@H]2CS(C)(=O)=O)c(F)c1 2151275195 NRDPSCGXIXRDAQ-GFCCVEGCSA-N 300.399 1.559 10 10 DDCE C[C@@H]1C[C@H](F)CN1S(=O)(=O)CCOc1ccc(N)cc1 2160293769 CLYDCEBQFHJCGI-MNOVXSKESA-N 302.371 1.410 10 10 DDCE Oc1c(F)cc(Br)cc1CNCCc1cnn[nH]1 2029272668 XTRHSBJSLRSDMK-UHFFFAOYSA-N 315.146 1.744 10 10 DDCE CN(CCCNCc1ccc(F)c(F)c1O)S(C)(=O)=O 703357989 MHLWQBLCXGCIPT-UHFFFAOYSA-N 308.350 1.042 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CCOC[C@@H]2C(F)F)cc1 2175652722 BBDAEDLADIDWOO-LLVKDONJSA-N 306.334 1.065 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)c1ccc(N2CCOCC2)nc1 2062829338 KHFSANYJXHYUBN-UHFFFAOYSA-N 315.329 1.582 10 10 DDCE CCCOCC[S@](=O)C[C@H](O)COc1ccc(N)cc1 2238131261 MRYWEYIHOPGCKG-XCLFUZPHSA-N 301.408 1.184 10 10 DDCE CSc1ncc(CNC(=O)CO[C@H]2CCCNC2)s1 2269096478 UKRVTYNAMPZEAA-VIFPVBQESA-N 301.437 1.250 10 10 DDCE Oc1cc2c(cc1CN1CCN(c3cccnn3)CC1)OCO2 170638930 ZZECQYVIQMJLHM-UHFFFAOYSA-N 314.345 1.233 10 10 DDCE COc1ccc(O)c(CNC(=O)c2cnc3c(c2)ncn3C)c1 183656687 JZDXKYVBDYXCIN-UHFFFAOYSA-N 312.329 1.613 10 10 DDCE Nc1ccc(N2CCOCCOCCOCCOCC2)cc1 139269131 QIEIAGVCPDCKKL-UHFFFAOYSA-N 310.394 1.155 10 10 DDCE COc1cccc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)c1O 245759840 PLTKBNAEBIQPAN-DZGCQCFKSA-N 306.406 1.553 10 10 DDCE COc1ccc(CCCC(=O)OCC(=O)C(C)=O)c(OC)c1 808528897 TWARVZOFOOIXBC-UHFFFAOYSA-N 308.330 1.728 10 10 DDCE CCc1nc(-c2ccc(C(=O)OCC(=O)C(C)=O)cc2)n[nH]1 808529543 KKZBOKNUWBTJOR-UHFFFAOYSA-N 301.302 1.349 10 10 DDCE C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@H](CF)C1=O 806672339 ZKZBPWAUHYFANN-SMDDNHRTSA-N 321.352 1.474 10 10 DDCE CN1CC2(CN(C/C=C\c3ccc(N(C)C)cc3)C2)OC1=O 817414430 KHNORQLTEQIQNY-PLNGDYQASA-N 301.390 1.902 10 10 DDCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCOC1CNC1 818607779 CGRRCIAQWYHBMG-UHFFFAOYSA-N 319.449 1.868 10 10 DDCE Cn1nccc1S(=O)(=O)Nc1nc(-c2ccccn2)cs1 727246273 KSOLMDZFWWZRHQ-UHFFFAOYSA-N 321.387 1.739 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cc(C(=O)O)nn2C)cc1 901899596 BEFGRGPKDLBINS-UHFFFAOYSA-N 302.334 1.114 10 10 DDCE COc1ccc2c(c1)c(C(=O)OCC(=O)C(C)=O)c(C)n2C 830531216 LZALQAXNBOTCAZ-UHFFFAOYSA-N 303.314 1.810 10 10 DDCE CCN(C[C@H](O)CN1CCOCC1)c1ccc(OC)c(OC)c1 747682163 RPQUQGMBKRMDNN-OAHLLOKOSA-N 324.421 1.223 10 10 DDCE Cc1ccc(S(=O)(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)o1 842786095 ZBCVFJIMGGQFPC-CQSZACIVSA-N 323.418 1.632 10 10 DDCE COC(=O)C[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855233593 IUNXNHGNWFDBHQ-OLZOCXBDSA-N 320.389 1.589 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCCCCCO)C2)cc1 854300424 ZNVMHSKUEXDWBV-CQSZACIVSA-N 321.421 1.736 10 10 DDCE CCCN(C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855231124 KIOUPHORKLSOIW-CQSZACIVSA-N 305.422 1.732 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](O)C[C@@H]3C)C2)cc1 854299112 LLFBDLXDBADYEM-YDHLFZDLSA-N 319.405 1.439 10 10 DDCE CO[C@@H](CNC(=O)NCCc1ccc(N)cc1)[C@H]1CCOC1 851662221 CRYNUSGFTUQSGF-ZFWWWQNUSA-N 307.394 1.162 10 10 DDCE O=C1CC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCN12 769207336 RYFNHZPHRHHADP-QGZVFWFLSA-N 315.417 1.330 10 10 DDCE CCO[C@H](C(=O)NCc1cc(OC)ccc1O)[C@H]1CCOC1 866767805 XUMVMRPAIJMREQ-NHYWBVRUSA-N 309.362 1.459 10 10 DDCE COc1ccc(CNC(=O)/C=C\COC2CCOCC2)c(O)c1 867955495 BISHKWJGKGECRQ-IHWYPQMZSA-N 321.373 1.769 10 10 DDCE C[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1O 868217716 VDMMSFDLRKPYBZ-MJBXVCDLSA-N 319.405 1.616 10 10 DDCE COc1cccc(CNS(=O)(=O)c2ccccc2N)c1O 767794425 SGPPNTQDDFACLR-UHFFFAOYSA-N 308.359 1.462 10 10 DDCE CN(C)c1ccc([C@@H]2[C@@H](N)CC(=O)N2C[C@@H]2CCCO2)cc1 62210967 JYKIIKCJOUTQAK-YQQAZPJKSA-N 303.406 1.532 10 10 DDCE C[C@@H]1CCc2[nH]nc(C(=O)NCc3cccc(O)c3O)c2C1 1123979027 ZTCDEVLIYMICEL-SECBINFHSA-N 301.346 1.876 10 10 DDCE CNCc1ccc(N(C)CCOCCO)c(Br)c1 385420189 YQJOSYRYMUKTIC-UHFFFAOYSA-N 317.227 1.614 10 10 DDCE COc1cc(C)cc(CN[C@H]2CCN(C3CCC3)C2=O)c1O 895415894 OKXHVXSTGYWDNO-AWEZNQCLSA-N 304.390 1.952 10 10 DDCE C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1ccc(N=NC(N)=O)cc1 1136290711 XAYPGNQVCVRDSF-GXSJLCMTSA-N 317.349 1.575 10 10 DDCE O=C(NCc1cc(Br)ccc1O)C(=O)NC1CC1 796640536 PEMVMDIJBIELLR-UHFFFAOYSA-N 313.151 1.050 10 10 DDCE O=S1(=O)CCC[C@H]1CCNCc1cc(F)cc(F)c1O 714341927 IZVHAZSFWJZSDW-NSHDSACASA-N 305.346 1.727 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1ccnc2[nH]nnc12 1142731236 PRROPKOZHYAJFR-UHFFFAOYSA-N 320.312 1.537 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](c2cc(O)n[nH]2)C1 1452724639 GBFJMAZYBCGDMO-FWEMWIAWSA-N 315.329 1.556 10 10 DDCE CCc1nc([C@@H]2C[C@@H](O)CN2Cc2ccc(N(C)C)cc2)n[nH]1 1473890344 BIJCJCNGNXHGBW-CABCVRRESA-N 315.421 1.741 10 10 DDCE C[C@H](OCc1ccncc1)C(=O)NCc1cc(O)ccc1O 1471662238 UYKPHGKAJYKAIP-NSHDSACASA-N 302.330 1.714 10 10 DDCE Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cc(Cl)ccc1O 1557386778 YLFCSLZCCNJBCP-UHFFFAOYSA-N 324.724 1.775 10 10 DDCE CCCCOC(=O)C(C)(C)NC(=O)Cc1ccc(O)c(O)c1 1631351163 CCCFQIJVUJKTAK-UHFFFAOYSA-N 309.362 1.878 10 10 DDCE CN(C(=O)Cc1ccc(O)c(O)c1)C(C)(C)CN1CCOCC1 1638974153 ZLDRCRWLASCSLD-UHFFFAOYSA-N 322.405 1.210 10 10 DDCE C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[S@](=O)C1 1650943893 OLAQNZCMCDTCLD-SQFXPLBJSA-N 301.339 1.078 10 10 DDCE C[C@@H](NC(=O)c1cncc(-n2ccnn2)c1)c1ccccc1O 1587446939 CWBAMVJLVZLYQD-LLVKDONJSA-N 309.329 1.859 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCC2(n3cccn3)CC2)cc1 1652837471 JYIHQCLWCDPRJC-UHFFFAOYSA-N 312.333 1.965 10 10 DDCE CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)C(F)(F)F 1598112647 KDTDCAWGOQLJPC-PELKAZGASA-N 307.268 1.458 10 10 DDCE O=S(=O)(NCCCNCc1c(O)cccc1Cl)C1CC1 1964060230 AIFKXDUNUYDAAY-UHFFFAOYSA-N 318.826 1.607 10 10 DDCE CCc1cccc(CN(C)CCN(C)S(C)(=O)=O)c1O 1971683409 WDFABKMGOVMLTD-UHFFFAOYSA-N 300.424 1.278 10 10 DDCE NCc1ccc(N2C[C@@H]3OCCO[C@@H]3C2)c(Br)c1 2032409793 ZQUBGZZTQJDVKZ-BETUJISGSA-N 313.195 1.512 10 10 DDCE OCc1ccc(N2C[C@H](O)[C@@H]3COC[C@H]32)cc1Br 2040592264 GLIAYOLNLKJDKW-RTXFEEFZSA-N 314.179 1.137 10 10 DDCE NCc1ccc(N2CCC[C@]23CCS(=O)(=O)C3)cc1Cl 2158462287 LNSRYYBCNXZZOL-CQSZACIVSA-N 314.838 1.956 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CC[C@H]2C(F)F)cc1 2171884051 KDFDQQUGCUHKJV-NSHDSACASA-N 306.334 1.317 10 10 DDCE C[S@@](=O)C1CN(c2c(F)cc(C=CC(=O)O)cc2F)C1 2172022803 QFHPOVNLQIWSIT-HXUWFJFHSA-N 301.314 1.630 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@H]3c3ncccn3)c2n1 2064018442 CCYOEZSHGNNHIC-LBPRGKRZSA-N 324.344 1.511 10 10 DDCE CCCS(=O)(=O)C[C@H](C)NCc1cccc(OC)c1O 2170590909 LWJFEENBIICUCC-NSHDSACASA-N 301.408 1.704 10 10 DDCE CO[C@H]1[C@@H](NCc2cccc(Br)c2O)C[C@H]1O 2249810857 VLCUSXLMHHJVKK-UMNHJUIQSA-N 302.168 1.393 10 10 DDCE CSc1ncc(CNC(=O)[C@]2(N)C[C@H]3OCCC[C@H]32)s1 2288404683 RZVHSHXOGRHRDW-BREBYQMCSA-N 313.448 1.378 10 10 DDCE CSc1ncc(CNC(=O)CNC[C@@H]2CCCO2)s1 2272415448 ZXQOHBGPXJGXDE-VIFPVBQESA-N 301.437 1.250 10 10 DDCE COC(=O)C=C1SC(NC(=O)c2ccccc2F)=NC1=O 2293568219 FVKLSTUHDGYXFI-UHFFFAOYSA-N 308.290 1.242 10 10 DDCE COc1cc(C=C2C(=O)NC(=O)N(C)C2=O)cc(Cl)c1O 2297329203 CHVUYWSICKZJLK-UHFFFAOYSA-N 310.693 1.146 10 10 DDCE CN(C)c1ccc(C=CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 2320615683 RXEPJKCNLOLNFZ-ZDUSSCGKSA-N 308.403 1.069 10 10 DDCE CC[C@H](N)C(=O)NCc1ccc(C)c(Br)c1O 2307465857 JWHZKTUCWUXGPK-VIFPVBQESA-N 301.184 1.817 10 10 DDCE Cc1ccc(CN=c2[nH]cc(N)c(=N)[nH]2)c(O)c1Br 2352620542 QXFLATAJYMCMCH-UHFFFAOYSA-N 324.182 1.282 10 10 DDCE CO[C@H](C)CCS(=O)(=O)CC(=O)Nc1ccc(N)cc1 2362083519 CGEIBVVBEIRFCF-SNVBAGLBSA-N 300.380 1.047 10 10 DDCE Nc1ccc(NC(=O)CCS(=O)(=O)CC(F)(F)F)cc1 2360223991 YCJYKNHRZBGMEI-UHFFFAOYSA-N 310.297 1.575 10 10 DDCE Nc1ccc(CC(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1 71700195 SYVXBIPTYUVJGA-UHFFFAOYSA-N 314.297 1.846 10 10 DDCE CCCS(=O)(=O)N(C)NCc1cccc(OCC)c1O 2365338345 AXGJPUNTHBBADK-UHFFFAOYSA-N 302.396 1.467 10 10 DDCE C[C@H](NC=C1C(=O)NC(=S)NC1=O)c1ccccc1Cl 48403063 SJIFTHQCRNEYIE-ZETCQYMHSA-N 309.778 1.405 10 10 DDCE C[C@@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1O 368211627 HUUOYIHZOYNJQW-IAQYHMDHSA-N 322.380 1.962 10 10 DDCE COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1cc(C)ccc1O)C2 373491896 ZKBXNEVMWVFRFF-WMLDXEAASA-N 305.374 1.712 10 10 DDCE CCN1CC[C@H]2OCCN(Cc3cc4c(cc3O)OCO4)[C@H]2C1 293547268 DLXBXWJHVMOOMG-DZGCQCFKSA-N 320.389 1.416 10 10 DDCE CN(C)C(=O)C1(C(=O)NCCCSc2nccs2)CC1 806851522 RZYBYBZNIGKEFJ-UHFFFAOYSA-N 313.448 1.610 10 10 DDCE O=C(/C=C\[C@@H]1CCCO1)NCc1ccc(N2CCOCC2)cc1 819149707 LBOBSOYUWDONKD-QWPQOLDESA-N 316.401 1.875 10 10 DDCE COC[C@@H](CCCN)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 818616125 TWNNOTHCUDTTGS-JKSUJKDBSA-N 321.465 1.865 10 10 DDCE C[C@@H](NC(=O)C(=O)NCCc1ccc(N)cc1)C1CCCC1 842039440 OPAGGBFAKUYWNW-GFCCVEGCSA-N 303.406 1.622 10 10 DDCE C[C@@H](NC[C@@H]1CN(C2CC2)C(=O)O1)c1cc([N+](=O)[O-])ccc1O 848571012 OMQUMTAJYKJKOK-BXKDBHETSA-N 321.333 1.934 10 10 DDCE CCOC(=O)CN1C(=O)/C(=C\c2cnn(C)n2)c2ccccc21 840734879 JUOKZXZYISUCQU-JYRVWZFOSA-N 312.329 1.265 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C3CCC(O)CC3)C2)cc1 855226621 RHTNAKZNWKQVMP-NPCAHTBFSA-N 318.417 1.941 10 10 DDCE CCn1nccc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855223653 CCYPWGNBDSCXGD-ZDUSSCGKSA-N 314.389 1.920 10 10 DDCE C[C@@]1(CNC(=O)C(=O)NCCc2ccc(N)cc2)C[C@@H]2C[C@@H]2C1 861776252 IRQUFTHNRSCSSK-UOIKSKOESA-N 315.417 1.480 10 10 DDCE CN1C(=O)C(=Cc2ccc(Cl)nc2Cl)C(=O)N(C)C1=O 761473423 FITNXHIZTZUIDQ-UHFFFAOYSA-N 314.128 1.822 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@]12C(=O)Nc1ccccc12 1137443093 BSASFFRPPNGUCV-KPZWWZAWSA-N 324.336 1.624 10 10 DDCE Cc1cc(Br)c(O)c(CN2CC[C@H](C(N)=O)C2)c1 781892802 DODMTBXIHWZVJL-VIFPVBQESA-N 313.195 1.770 10 10 DDCE COC(=O)c1cnc(CNCc2cccc(OC)c2O)s1 894765614 IWNZMXZUCAAPJW-UHFFFAOYSA-N 308.359 1.934 10 10 DDCE 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CNC(=O)[C@@H](C)N(C)c1ccc(CN)c(Br)c1 1916794053 BLAUQXIFEIJVPN-MRVPVSSYSA-N 300.200 1.479 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCC=CO1 1291755620 HPTTWXKKOIBQAI-MRXNPFEDSA-N 320.364 1.971 10 10 DDCE CNC(=O)CCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1636499178 RTRQZCXQOARELA-UHFFFAOYSA-N 305.338 1.447 10 10 DDCE O=C(NCc1c(O)ccc2ccccc12)c1cccn2nnnc12 1639387962 SWQVZKZMCCBOJK-UHFFFAOYSA-N 319.324 1.913 10 10 DDCE CC1(CCNC(=O)c2ccc(N=NC(N)=O)cc2)OCCO1 1633738357 DLBIRDNUDFYQST-UHFFFAOYSA-N 306.322 1.732 10 10 DDCE CN1C[C@@H](O)C[C@@]1(C)C(=O)NCc1c(O)ccc2ccccc12 1652709084 UYKPWLZLKIWFGZ-UGSOOPFHSA-N 314.385 1.617 10 10 DDCE CSc1ncc(CNC(=O)c2c(S)cnn2C)s1 2257113935 GARJKGXHPHYRKF-UHFFFAOYSA-N 300.434 1.817 10 10 DDCE COc1ccc(CNC[C@H](C)CNC(=O)[C@H]2CCOC2)cc1C 1698739300 ULTDWEFGKHESEQ-BBRMVZONSA-N 320.433 1.882 10 10 DDCE CCNCc1ccc(N2C[C@H](O)C[C@@H]2CN(C)C)c(Cl)c1 164130672 KHQYGFKDCPPRTF-ZIAGYGMSSA-N 311.857 1.951 10 10 DDCE CCCNCc1cc(F)c(N2CCOC[C@H]2CO)c(F)c1 168329484 NCLGMOUBFXTAQU-GFCCVEGCSA-N 300.349 1.662 10 10 DDCE OCC(CO)CCNCc1ccc(Br)cc1O 2012423916 KBCWPUAGLGYCCW-UHFFFAOYSA-N 304.184 1.235 10 10 DDCE CN1C(=O)C[C@H](NCc2cc(Br)ccc2O)C1=O 234326234 CBXMPEFZNRFVAM-VIFPVBQESA-N 313.151 1.002 10 10 DDCE CN1C(C)(C)[C@@H](NCc2cccc(Cl)c2O)CS1(=O)=O 1967825516 RWFSTGONOLYQKY-NSHDSACASA-N 318.826 1.558 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)Cc1ccc(N)cc1 1977995248 BZCYVUBRGSIBQX-OCCSQVGLSA-N 319.405 1.841 10 10 DDCE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-])cn1 1985099666 AJCAYUORXDTQLW-SNVBAGLBSA-N 323.357 1.412 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NC(=O)Cc1ccc(N)cc1 1986712720 NGSQGRWANBPUMT-UONOGXRCSA-N 319.405 1.983 10 10 DDCE CCOC(=O)[C@@](C)(CS(=O)(=O)CC)NCCCN=[N+]=[N-] 2170495896 CLAKSJGWLRTGPT-LLVKDONJSA-N 306.388 1.033 10 10 DDCE CC(C)(C)S(=O)(=O)C[C@@](C)(O)[C@@H](N)c1ccccc1O 2170541251 XSQMWHFWSCUVTQ-GXTWGEPZSA-N 301.408 1.356 10 10 DDCE COc1ccc(CN[C@H](C)CS(=O)(=O)C(C)C)c(O)c1 2170585664 NPKICHPNZVIDOE-LLVKDONJSA-N 301.408 1.702 10 10 DDCE COc1sccc1S(=O)(=O)Nc1ccc(O)cc1N 2095785048 FRPYFWGCQBDYGB-UHFFFAOYSA-N 300.361 1.845 10 10 DDCE Cn1nc(Br)c(CN2CCC[C@H](N=[N+]=[N-])C2)n1 2214382330 FCTNUTMYKYVAEC-ZETCQYMHSA-N 300.164 1.852 10 10 DDCE COc1ccc(Br)c(CN2CC[C@@H](CN)C2)c1O 2220452539 WMTPYBJQUFZHDH-VIFPVBQESA-N 315.211 1.944 10 10 DDCE CNCc1ccc(OC)c(CS(=O)(=O)C[C@@H](C)OC)c1 2283837115 XMYVRABUPXAREO-LLVKDONJSA-N 301.408 1.364 10 10 DDCE O=C(O)C1(CS(=O)(=O)Nc2ccc(O)cc2Cl)CC1 2274346597 ZTAKZXVNOLDPNK-UHFFFAOYSA-N 305.739 1.652 10 10 DDCE CSc1ncc(CNC(=O)NCC[C@@H](C)C(=O)O)s1 2269093553 OOXFAMHHLCKFMN-SSDOTTSWSA-N 303.409 1.775 10 10 DDCE O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNC1CC1 2296098984 NREZDMNGOMAIJQ-UHFFFAOYSA-N 303.293 1.040 10 10 DDCE COc1cc(OC)c(N2CC[C@](CO)(OC)C2)cc1Cl 2285912008 TUCFONGSYRRQPY-AWEZNQCLSA-N 301.770 1.945 10 10 DDCE Oc1ccccc1CN1CCN(c2ccc3nncn3n2)CC1 179571489 CHALSYNQZQOZAE-UHFFFAOYSA-N 310.361 1.152 10 10 DDCE COc1ccc(/C=C2/C(=O)NC(=O)N(C(C)(C)C)C2=O)cc1O 33314781 PBCKBXYFJBNKPN-YFHOEESVSA-N 318.329 1.661 10 10 DDCE COc1ccc(O)c(CNC(=O)Cn2cccc(C)c2=O)c1 181669841 ZSBUVTWWNOLJNX-UHFFFAOYSA-N 302.330 1.187 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1cc(N)cc(F)c1 71402696 SKXCGRRQOVDDEK-UHFFFAOYSA-N 310.350 1.934 10 10 DDCE O=C(NCCN1C(=O)CSC1=S)c1ccccc1Cl 49755848 UFHGMZFEFAMSGK-UHFFFAOYSA-N 314.819 1.930 10 10 DDCE COc1cc(Cl)cc(CN(C)[C@@H]2COC[C@@H]2C(=O)O)c1O 229119353 BKRCSVKOTCUNHN-WDEREUQCSA-N 315.753 1.586 10 10 DDCE COC[C@@H](O)CNC(=O)c1sccc1-n1c(C)ccc1C 269518404 HKYFJUQWKSMUBB-LBPRGKRZSA-N 308.403 1.893 10 10 DDCE C[C@@H]1CC(=O)NCCN1Cc1ccc(N2CCOCC2)cc1 368592614 LWPIRJSIKKXWGE-CQSZACIVSA-N 303.406 1.234 10 10 DDCE CC(C)(C)[S@](=O)CCNC(=O)/C=C\c1ccc(O)c(O)c1 588405182 SIRXWUYXQUXRMC-JEUZPXFCSA-N 311.403 1.774 10 10 DDCE CN(C)c1ccc(CNC(=O)NCc2cncc(O)c2)cc1F 915365404 DGFSWHOGHNMNCU-UHFFFAOYSA-N 318.352 1.992 10 10 DDCE CCN1C[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)OC1=O 848731459 DDWUFTFJDOHMTM-DUMNWFOQSA-N 307.302 1.495 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCN3C)C2)cc1 855230003 DMORIPPMUTXIFO-CJNGLKHVSA-N 303.406 1.484 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](CN)C3CC3)C2)cc1 851664737 JHYKWMYKIGEEQE-CJNGLKHVSA-N 318.421 1.310 10 10 DDCE COc1ccc(CNC(=O)NC[C@@H](OC)[C@H]2CCOC2)c(O)c1 852438726 WIIHAJVTYUTMJO-SWLSCSKDSA-N 324.377 1.252 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CNC[C@@H]2CCN2C2CCOCC2)c1 922950632 OBELFUWRCPIGHS-HNNXBMFYSA-N 321.377 1.643 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3csnn3)C2)cc1 855230984 HFCFTWWLKAAVFY-SNVBAGLBSA-N 304.375 1.555 10 10 DDCE O=C(c1cccc(O)c1O)N1CCC(N2CCCOCC2)CC1 861986840 NFIFJYBGYUXXIQ-UHFFFAOYSA-N 320.389 1.425 10 10 DDCE Cc1ccc(O)c([C@H](C)NC[C@@]23COCCN2C(=O)OC3)c1 866521631 OEDAQZDMBXIPQJ-LRDDRELGSA-N 306.362 1.572 10 10 DDCE CS(=O)(=O)c1csc(C(=O)NCc2ccccc2O)c1 767770977 CNUCTYIDEUDHFW-UHFFFAOYSA-N 311.384 1.787 10 10 DDCE CCN(CCCN(C)C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1118951165 RWDTUKVIYRZYSC-UHFFFAOYSA-N 319.405 1.035 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@H](O)CC(F)(F)C2)c1O 775102595 RADJGIWZJLBABT-SECBINFHSA-N 318.276 1.511 10 10 DDCE CN(C)c1ccc(CNC(=O)C2CN([C@H]3CCOC3)C2)cc1F 895980112 CUEFQNNVSBGCGD-AWEZNQCLSA-N 321.396 1.229 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3CO[C@H](C)C3)CC2)cc1 784014096 DNOSYMVHZLROCR-ZIAGYGMSSA-N 304.390 1.769 10 10 DDCE O=C1NC(C(=O)O)=C[C@@H](c2ccc(N3CCCCC3)cc2)N1 76256704 XUOMBOKBSLTDGD-ZDUSSCGKSA-N 301.346 1.999 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNCc2ncccc2O)c1O 793255348 HJRJMSOMZZBLMR-UHFFFAOYSA-N 305.290 1.699 10 10 DDCE CN1CCN(c2ccc(CO)c(Br)c2)C[C@@H]1CO 687594900 PSUSVSNYSIJVBD-GFCCVEGCSA-N 315.211 1.054 10 10 DDCE NCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1088737682 UMCMAUJSJFJMRR-YFHOEESVSA-N 309.372 1.755 10 10 DDCE CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1C[C@@H](C(N)=O)C1 1302267732 PGMVEQLQKROPIY-JGZJWPJOSA-N 303.322 1.185 10 10 DDCE Cn1nc(Br)c(CN2CC[C@@H](CN=[N+]=[N-])C2)n1 2214383455 SOJURKZGHZWTSJ-ZETCQYMHSA-N 300.164 1.710 10 10 DDCE CC1([C@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)OCCO1 1631322762 IEXVSKUSQRDHBA-ZDUSSCGKSA-N 321.373 1.642 10 10 DDCE CCCC(=O)N(C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1510432151 SKHOPCSIJXXLEX-LLVKDONJSA-N 323.393 1.476 10 10 DDCE Cc1nnc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)s1 1468649256 APYYOODDGQGUSX-UHFFFAOYSA-N 318.362 1.981 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@@H]2C(=O)OC)c([N+](=O)[O-])c1 1615570885 BKJOEPPCANBDEW-FVOPLDGLSA-N 320.301 1.533 10 10 DDCE CNCc1ccc(N2C[C@H]3C(C(N)=O)[C@@H]3C2)c(Br)c1 2136613918 NCHJWXMASDIQKL-NXEZZACHSA-N 324.222 1.336 10 10 DDCE C[C@@H](NC(=O)c1ccc(-n2cncn2)nc1)c1ccccc1O 1632246216 DKEKNTWIGGEODM-LLVKDONJSA-N 309.329 1.859 10 10 DDCE O=C(CCC(=O)c1ccccn1)NCc1c(O)cccc1O 1639292553 HNGLWXYFAHDUFJ-UHFFFAOYSA-N 300.314 1.772 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cc2nn[nH]c2cc1F 1637125961 JGXGPRVYQYFBBF-UHFFFAOYSA-N 302.265 1.438 10 10 DDCE CN1CCCC(C)(C)[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 1568641213 PTTUBBIICYNLAJ-OAHLLOKOSA-N 306.406 1.877 10 10 DDCE C[C@H](O)CNC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1667063773 POJKOYKAXAFXCE-MNOVXSKESA-N 321.381 1.280 10 10 DDCE CN(C)c1ccc([C@H](CNC(=O)CO)N2CCCCC2)cc1 1865949275 KIWNBDDTDQCGIS-INIZCTEOSA-N 305.422 1.388 10 10 DDCE Cn1cc(Br)c(CS(=O)(=O)CCCN=[N+]=[N-])n1 2302454402 FQQQFXVILJOVAY-UHFFFAOYSA-N 322.188 1.798 10 10 DDCE O=C1C[C@H](CNCc2c(O)cccc2Br)CCN1 1969112319 CVJZHBKVKHMJDS-SECBINFHSA-N 313.195 1.771 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CC(F)(F)CO2)cc1 2144787249 IWIKDFXTCSZHAG-NSHDSACASA-N 306.334 1.112 10 10 DDCE C[C@H]1CN(S(=O)(=O)Nc2ccc(O)cc2Cl)C[C@H](C)O1 2145851567 OHTDMIIDHPPFPN-IUCAKERBSA-N 320.798 1.812 10 10 DDCE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(N)cc1)C(C)(C)O 1993307744 BCHVPSBXEGCHFP-GFCCVEGCSA-N 323.393 1.872 10 10 DDCE CNCc1ccc(N2CCN(S(C)(=O)=O)CC2)c(Cl)c1 164059457 KDTMGSIVZKSNKN-UHFFFAOYSA-N 317.842 1.141 10 10 DDCE CC(C)(C)[C@](C)(O)CNS(=O)(=O)Cc1ccc(N)cc1 2151100729 BJXXKTSPLXUJPV-CQSZACIVSA-N 300.424 1.485 10 10 DDCE CS(=O)(=O)C[C@H]1CCCCN1c1ccc(CN)cc1F 2151273789 IJMZNWNKPCGVGV-GFCCVEGCSA-N 300.399 1.688 10 10 DDCE Nc1ccc(OCCN=c2nc(Br)[nH]s2)cc1 2001585432 DAUUIOVAMLVTCR-UHFFFAOYSA-N 315.196 1.796 10 10 DDCE CN(C[C@@H]1COCCO1)c1ccc(CO)c(Br)c1 2027158201 GDEARGHNSFPFEK-GFCCVEGCSA-N 316.195 1.793 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC(OCC(F)F)C2)cc1 707199408 CKLIYFZOWCNBRG-UHFFFAOYSA-N 306.334 1.065 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CC[C@H](F)C3)c(Br)cc21 689855263 LKVXWDVKLMSWFS-UPONEAKYSA-N 314.158 1.949 10 10 DDCE COc1cc(Cl)cc(CN2CC([C@@H](F)C(=O)O)C2)c1O 2166834026 XTMRFZDBYFFEOJ-LLVKDONJSA-N 303.717 1.909 10 10 DDCE C[C@@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1ccccc1O 1557968268 WRXWXYRUWRBPGT-MFKMUULPSA-N 324.377 1.455 10 10 DDCE CO[C@@H]1C[C@H](O)CN(c2ccc(CN)c(Br)c2)C1 2046666223 YOXGMNMVTMGWNY-NWDGAFQWSA-N 315.211 1.494 10 10 DDCE Oc1cccc(Br)c1CN1CCO[C@@H]2COC[C@H]21 2072498395 YPGNSUSNXVCWMZ-DGCLKSJQSA-N 314.179 1.754 10 10 DDCE OCc1ccc(N2CCn3ncc(O)c3C2)cc1Br 2112046427 GTKABLWROXKWSL-UHFFFAOYSA-N 324.178 1.864 10 10 DDCE COCCN(C[C@H](C)O)c1ccc(CN)c(Br)c1 2259719572 OSFRPCMBJWNCDX-JTQLQIEISA-N 317.227 1.741 10 10 DDCE CSc1ncc(CNC(=O)NC(=O)CCC(=O)O)s1 2269120647 FTGYDOHAYOXENE-UHFFFAOYSA-N 303.365 1.056 10 10 DDCE CSc1ncc(Cn2c(SCC(=O)O)n[nH]c2=N)s1 2269308574 AHPCXKCENFWFPF-UHFFFAOYSA-N 317.421 1.094 10 10 DDCE COC(C)(C)C[S@](=O)C[C@H](O)COc1ccc(N)cc1 2280301289 WTXKOVWEFZDTBR-MPBGBICISA-N 301.408 1.182 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CO[C@@H](C)[C@@H]2C)s1 2345993727 YJVRGAUWELLREY-YVZVNANGSA-N 302.421 1.833 10 10 DDCE O=C(c1cc(O)nc(O)c1)N1CCN(c2ccccc2F)CC1 170223547 LTLVFVUCHRIBRQ-UHFFFAOYSA-N 317.320 1.594 10 10 DDCE O=C1NCCN[C@H]1c1cc(Cl)cc(Br)c1O 1951965328 IKIZMCFJHURCOC-QMMMGPOBSA-N 305.559 1.569 10 10 DDCE CN1C(=O)CCc2cc(N3CCN(C(=O)C4CC4)CC3)ccc21 62093210 HOYDWDULOLAOPQ-UHFFFAOYSA-N 313.401 1.654 10 10 DDCE CN(Cc1cc(F)ccc1O)[C@H]1CC[C@H](S(C)(=O)=O)C1 2361664399 IEMGQJRTTNHWHL-STQMWFEESA-N 301.383 1.929 10 10 DDCE CCN(CCCN[C@H](C)c1cc(O)ccc1O)S(C)(=O)=O 38035357 DGYJSYJYNLNEKS-LLVKDONJSA-N 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COc1ncncc1CN1CCOc2cc(N(C)C)ccc21 843403820 MVOVAIZIYHXHMY-UHFFFAOYSA-N 300.362 1.950 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H](O)c2ccnn2C)c1 927128465 CTKXBCZJGRSECN-MEBBXXQBSA-N 319.361 1.297 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CN)C3CC3)C2)cc1 851664736 JHYKWMYKIGEEQE-BBRMVZONSA-N 318.421 1.310 10 10 DDCE CCO[C@@H](CS(=O)(=O)N1Cc2cccc(O)c2C1)C1CC1 867690814 NNYZIAHNXUJJLS-HNNXBMFYSA-N 311.403 1.853 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N2CCn3nccc32)C1 861593628 IDLYUQFBFKNKPP-LBPRGKRZSA-N 318.377 1.843 10 10 DDCE CCN1CCO[C@@H](C(=O)NCc2ccc3cccnc3c2O)C1 862027909 JLGWGNTZKDRHJB-CQSZACIVSA-N 315.373 1.277 10 10 DDCE C[C@H]1CN2CCN1C[C@@H]2C(=O)NCc1cccc(Cl)c1O 1124069893 FWALTKBEFLEJDK-GXFFZTMASA-N 309.797 1.050 10 10 DDCE C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1nnc(O)n1C 895172819 SGJXZXBDSOJNCG-FOQNGQEVSA-N 301.394 1.951 10 10 DDCE COC(=O)[C@@H]1CCCCCN1C(=O)Cc1ccc(O)c(O)c1 1138138106 NJDKLQLGLWTMCG-LBPRGKRZSA-N 307.346 1.585 10 10 DDCE CCn1nc(C)cc1C(=O)OCC(=O)c1ccc(O)c(O)c1 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2117391204 FKDRKGCTVGKKFX-UHFFFAOYSA-N 302.465 1.877 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cnn(-c2ccncc2)c1 1443118240 ISGSQTIEWFWCTF-UHFFFAOYSA-N 310.313 1.860 10 10 DDCE CS(=O)(=O)C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1297381269 KGUWEEDCQGKNAD-UHFFFAOYSA-N 324.362 1.156 10 10 DDCE Cn1cc(C[C@@H]2CCN(C(=O)Cc3ccc(O)c(O)c3)C2)cn1 1465727652 GMBYQUXKAFDMLD-ZDUSSCGKSA-N 315.373 1.465 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc(-n2ccnc2)nn1 1469160756 SCHCATYNKBBPOX-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@H](C)C2CC2)cc1C 1485984797 RVQSBTLLTJHDPX-CZUORRHYSA-N 320.433 1.616 10 10 DDCE O=C(C[C@@H]1C(=O)Nc2ccccc21)NCc1ccc(O)cc1O 1557085008 YKSCUCGNTOYPAL-ZDUSSCGKSA-N 312.325 1.840 10 10 DDCE Cc1nc(C(=O)NCc2ccc(O)cc2O)nn1-c1ccccc1 1626838267 UUQLADGKBMEKSF-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE CC(C)(C)n1cccc(C(=O)NCc2c(O)cccc2O)c1=O 1558535656 MUPIQBJURCNUBX-UHFFFAOYSA-N 316.357 1.945 10 10 DDCE C[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(O)cc1O 1639441234 NCFDXVVDYJPMCJ-NSHDSACASA-N 314.341 1.533 10 10 DDCE CC(C)n1cnnc1SCC(=O)NCc1ccc(O)cc1O 1639441221 MWSIDFSYTPBNIG-UHFFFAOYSA-N 322.390 1.679 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@@H]1CC(F)F 1634899459 QABWIISNSPZFOY-JTQLQIEISA-N 301.289 1.523 10 10 DDCE O=C(NCCO)c1ccc(NC(=O)c2cc(O)cs2)cc1 1598285025 ZCPCGEWLBYFVFB-UHFFFAOYSA-N 306.343 1.428 10 10 DDCE C[C@@H]1SC(=S)N(CCCC(=O)NC[C@H]2CCCO2)C1=O 11636192 XKBWLIPJDCXUMR-VHSXEESVSA-N 316.448 1.311 10 10 DDCE CC[C@H](N)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 1865949977 WORJKKALUVHSTI-GJZGRUSLSA-N 315.421 1.429 10 10 DDCE CCOC(=O)c1cc(C)[nH]c1NC(=O)c1cc(O)c(O)c(O)c1 1865876617 WLQFJNBMGGEEBT-UHFFFAOYSA-N 320.301 1.869 10 10 DDCE CN(C)c1ccc(CNCCC(=O)NCc2ccncc2)cc1 1857859134 ZLBTUOOJJAJVFR-UHFFFAOYSA-N 312.417 1.944 10 10 DDCE CC(C)(C)OC(=O)NOCCNC(=O)c1cccc(O)c1O 1962353582 TYVBGTMBUWSLQN-UHFFFAOYSA-N 312.322 1.284 10 10 DDCE Cc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(O)c1 1994458709 XMSPNTKLDWBLBB-DZGCQCFKSA-N 322.405 1.770 10 10 DDCE [N-]=[N+]=N[C@H]1CCCN(CCCN2CCCS2(=O)=O)CC1 2155552878 QMHIWPRNWQGXCS-LBPRGKRZSA-N 301.416 1.577 10 10 DDCE CS(=O)(=O)[C@H]1CCC[C@@](NCCCN=[N+]=[N-])(C(=O)O)C1 2160826781 ZMMTXLNYJZBJIU-ONGXEEELSA-N 304.372 1.087 10 10 DDCE O=S1(=O)C[C@H]2[C@@H](CNCc3cc(F)cc(F)c3O)[C@H]2C1 2174614357 HOYIQSRSWNYMNZ-JGPRNRPPSA-N 303.330 1.051 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCOC[C@@H]1N1CCCC1 2065051086 ZVRNIILYMNOHAT-KBPBESRZSA-N 320.389 1.010 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCc4cccnc4C3)c2n1 2065134132 HBJRUQWEAKWCCS-UHFFFAOYSA-N 309.329 1.337 10 10 DDCE O=C1CC(S(=O)(=O)Nc2ccc(O)c(C(F)(F)F)c2)C1 2173346722 QFRXSHCCWALRLB-UHFFFAOYSA-N 309.265 1.884 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3C[C@H](C2)C3O)cc1Br 2052754928 KBZSDXUMPXGVQR-PHXKMMTBSA-N 315.186 1.864 10 10 DDCE CC1CC(COc2nnc(=N)[nH]n2)(N(C)C(=O)OC(C)(C)C)C1 2210643344 JJYPRAKNMFRKGR-UHFFFAOYSA-N 324.385 1.094 10 10 DDCE CC(C)CN1C(=O)C(=CN[C@@H]2CCCC[C@@H]2C)C(=O)NC1=S 2295113228 QHHDGQLZQQRPJX-WCQYABFASA-N 323.462 1.938 10 10 DDCE CS(=O)(=O)c1cscc1C(=O)NCc1ccccc1O 2288495046 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10 DDCE COC(=O)/C=C\c1ccc(N2CN(C)C(=O)[C@@H]2C)c([N+](=O)[O-])c1 826798144 PIZVSNZIRHKETH-BXKUYDPTSA-N 319.317 1.405 10 10 DDCE COc1cc(O)c(CNCCO[C@H]2CC2(F)F)cc1OC 827072705 LGWUKBCSOVEEHP-ZDUSSCGKSA-N 303.305 1.923 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCCN(C)C1 734662209 WMEKMHXSXRKYKH-OAHLLOKOSA-N 304.438 1.954 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCNC[C@@H]2C)c1 841988517 LDYNTCCDLTZAGG-COPLHBTASA-N 307.394 1.759 10 10 DDCE CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)[C@@]1(O)CCOC1 844042552 VUNICGGAOYPGNT-XQDHMALISA-N 321.373 1.405 10 10 DDCE CCOC(=O)/C(=C/c1cn(C2CCC2)nn1)c1nccn1C 849246733 VSIZDDYBDDKAQH-UKTHLTGXSA-N 301.350 1.840 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C3CCNCC3)C2)cc1 852843782 HBHRDQJILQMBJR-CQSZACIVSA-N 303.406 1.390 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3CCC(=O)N3)C2)cc1 855231628 XHVDDHVJCHOTGZ-CHWSQXEVSA-N 317.389 1.059 10 10 DDCE CC(C)C[C@@H](C(N)=O)C(=O)NCc1ccc2cccnc2c1O 862025630 YNXJFNYUCZZXDA-ZDUSSCGKSA-N 315.373 1.704 10 10 DDCE CCC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 868408036 INOSWVCHPHURIP-NWDGAFQWSA-N 305.378 1.763 10 10 DDCE Cc1cc(Br)cc(CN2C[C@@H](O)C[C@@H](O)C2)c1O 775735131 IIOQXXWUOIGRSL-TXEJJXNPSA-N 316.195 1.391 10 10 DDCE O=S1(=O)CC(C2CN(Cc3cccc(Cl)c3O)C2)C1 895427331 FIODNCWNMZNFCZ-UHFFFAOYSA-N 301.795 1.522 10 10 DDCE NC(=O)C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1137212112 JECZBGHTJUNCLJ-JTQLQIEISA-N 317.349 1.577 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@@H]2CCC3(C2)OCCO3)c1 1225108015 QJIQDDGPJMISJA-CYBMUJFWSA-N 306.362 1.795 10 10 DDCE CCOc1ccc(N2CCN(C(=O)[C@H](O)C3CCC3)CC2)cc1 1261261210 MMFWVIAXFITRFU-QGZVFWFLSA-N 318.417 1.895 10 10 DDCE Cn1ncc(CCCNC(=O)c2ccc(N=NC(N)=O)cc2)n1 1298595687 DDJKGFCZQBCEKI-UHFFFAOYSA-N 315.337 1.340 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCc2nncn2C2CC2)cc1 1628506376 LHRFBTMUWWYCMR-UHFFFAOYSA-N 313.321 1.705 10 10 DDCE CO[C@@H]1COCC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 1566369401 DPGYFTCMUVCEEU-SWLSCSKDSA-N 309.362 1.198 10 10 DDCE Cc1ccc(O)c(CNC(=O)Cn2ncc3ccccc3c2=O)c1 1641729377 OSBKUDBCBLRROP-UHFFFAOYSA-N 323.352 1.727 10 10 DDCE CC(C)(C)OC(=O)NCC1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC1 1961048951 KNLJMMBITSDRHH-XYPYZODXSA-N 310.394 1.557 10 10 DDCE Nc1ccc(CC(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 150757981 LTFVFLRZCACQJR-UHFFFAOYSA-N 314.345 1.948 10 10 DDCE COc1ccc(N2CCN(C(=O)CCC(=O)N(C)C)CC2)cc1 1890406915 JDSAHTSHGOTTGY-UHFFFAOYSA-N 319.405 1.212 10 10 DDCE NCc1ccc(N2C[C@@H](O)C(F)(F)C2)cc1Br 1946669180 XAZDFSODODPMIR-SNVBAGLBSA-N 307.138 1.724 10 10 DDCE Cn1nnc(Br)c1NCCOc1ccc(N)cc1 2038784242 LXSMONDLCUMGRN-UHFFFAOYSA-N 312.171 1.651 10 10 DDCE C[C@@H]1C[C@@H](F)CN1S(=O)(=O)CCOc1ccc(N)cc1 2160293768 CLYDCEBQFHJCGI-GHMZBOCLSA-N 302.371 1.410 10 10 DDCE CCS(=O)(=O)[C@H]1CCN(c2ccc([C@@H](C)O)cc2F)C1 2179898249 FLQXWDSYLYDCQN-PWSUYJOCSA-N 301.383 1.892 10 10 DDCE OC[C@@H]1COCC[C@@H]1NCc1ccc(Br)cc1O 2072981540 RLKLKRUVNKOTKR-PWSUYJOCSA-N 316.195 1.642 10 10 DDCE O=S1(=O)C[C@H]2CCN(Cc3cc(Cl)ccc3O)[C@H]2C1 2094883860 ZZWQPYDUDBWLEF-SKDRFNHKSA-N 301.795 1.665 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H]3O)cc1Br 2258312457 ACAVQSOGFAJRCF-GNXNZQSNSA-N 311.223 1.986 10 10 DDCE CO[C@@H](CNCc1cnc(SC)s1)C1CCNCC1 2269315459 NVWWGFIFUYGTJP-LBPRGKRZSA-N 301.481 1.969 10 10 DDCE C[C@H]1CC[C@H](S(C)(=O)=O)CN1Cc1ccc(F)cc1O 2279357711 ZWBNCNGODJOIFV-GWCFXTLKSA-N 301.383 1.929 10 10 DDCE Cc1cc(=NC=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)[nH]o1 2296560812 KONROYSVNUCXEW-UHFFFAOYSA-N 318.333 1.112 10 10 DDCE COC(=O)c1csc(NN(C)S(=O)(=O)C2CCC2)n1 2339724557 RANYUPBFHHOLRC-UHFFFAOYSA-N 305.381 1.071 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCN3CCC[C@@H]3C2)cc1 178638853 SVXSMKGLFLBTKC-QGZVFWFLSA-N 316.449 1.149 10 10 DDCE COc1ccc(O)c(CN2CCO[C@H](c3nc(C)n[nH]3)C2)c1 180612527 UHUDBRHAHKPEDZ-AWEZNQCLSA-N 304.350 1.401 10 10 DDCE Nc1ccc(CCN2C(=O)c3ccccc3S2(=O)=O)cc1 35677240 DQRLJFNFOMRSJX-UHFFFAOYSA-N 302.355 1.656 10 10 DDCE CN(Nc1nc(CCC(=O)O)cs1)S(=O)(=O)C1CCC1 2365270832 ILVRRCLOLWIBCJ-UHFFFAOYSA-N 319.408 1.301 10 10 DDCE CCN1CCN([C@H]2CCN(Cc3ccc(OC)cc3O)C2)CC1 93133371 JUOOXDQFWIEIBN-INIZCTEOSA-N 319.449 1.613 10 10 DDCE COC[C@@H](O)CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O 92255936 BYWBMJLZXBNHCR-JTQLQIEISA-N 304.730 1.393 10 10 DDCE C[C@@]1(Br)C[C@H]1C(=O)NCc1ccc(O)c(O)c1 528867207 ZEAWQMHXNDMVMY-QPUJVOFHSA-N 300.152 1.888 10 10 DDCE CN1CCC[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1=O 294691694 KPJHLNAWQNJPGI-HNNXBMFYSA-N 315.417 1.554 10 10 DDCE CC(=O)C(=O)COC(=O)c1c(C)nn(Cc2ccccc2)c1C 808495008 GLHVZAGULWUXJW-UHFFFAOYSA-N 314.341 1.863 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 808521560 WFOOWNBMTJWMDC-VXGBXAGGSA-N 304.298 1.263 10 10 DDCE CCOCc1nc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)no1 292098286 ORHZMBLAMMCDAV-SECBINFHSA-N 321.333 1.817 10 10 DDCE C[C@H](OCC(=O)NCc1ccc(N(C)C)cc1)c1nccn1C 805156504 YACBYMSQSBXYDB-ZDUSSCGKSA-N 316.405 1.880 10 10 DDCE CC(=O)C(=O)COC(=O)Cn1c(C)nc2cc(F)c(F)cc21 808546113 AUBVPUMBPRGTHG-UHFFFAOYSA-N 310.256 1.324 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](CO)c1cccnc1 813717569 MZQZTYJSTKQRFW-KXQLTZBTSA-N 314.341 1.398 10 10 DDCE NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)/C=C\c1ccc(O)c(O)c1 832830268 BLXIEEXGOUMMSO-RVGLZYMASA-N 316.357 1.223 10 10 DDCE CCN(C[C@@H](O)CN1CCOCC1)c1ccc(OC)c(OC)c1 747681762 RPQUQGMBKRMDNN-HNNXBMFYSA-N 324.421 1.223 10 10 DDCE CCN(OC)C(=O)CNCc1cc(Cl)cc([N+](=O)[O-])c1O 842768926 ZPYDEXNJVHXUAV-UHFFFAOYSA-N 317.729 1.453 10 10 DDCE COCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 849224282 AQDSAMVMIQFRCQ-ZDUSSCGKSA-N 307.394 1.610 10 10 DDCE COC(=O)[C@@H]1CCN[C@@H]1c1cccc(Br)c1O 1952859952 BQXUIJPJNAPQQT-PSASIEDQSA-N 300.152 1.978 10 10 DDCE O[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCO1 858226784 PVHDHZMJJBTGBF-IAGOWNOFSA-N 324.396 1.292 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@]2(O)C[C@H]2C1 852536685 FFDHPTWXZXNOPJ-MAUKXSAKSA-N 317.433 1.168 10 10 DDCE Cc1ccc(O)c(CNC(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)c1 926676378 LDQPOXCOPLREMU-NFAWXSAZSA-N 306.362 1.304 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@H]3COC[C@H]3C2)cc1 853244929 RFJTVCYKMHTLIT-LSDHHAIUSA-N 303.406 1.931 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCN(c3nccnn3)CC2)cc1 862444330 VSDIVHLCVPAGLR-ARJAWSKDSA-N 324.432 1.773 10 10 DDCE O=C(c1cncc(N2CCCC2)n1)N1Cc2cccc(O)c2C1 871207605 QRKUEPAOTQLEEY-UHFFFAOYSA-N 310.357 1.938 10 10 DDCE COC(=O)c1cccc2c1CCN2C(=O)/C=C/c1cnn(C)c1 1134125544 IARBBTDTPKPYPP-VOTSOKGWSA-N 311.341 1.809 10 10 DDCE CCOC(=O)C1(C(=O)N(C)Cc2ccccc2O)CCOCC1 797190109 PCFAFEPLTGOSQA-UHFFFAOYSA-N 321.373 1.711 10 10 DDCE Cc1nc(O)nc(O)c1CC(=O)N(C)Cc1ccccc1O 1149872265 WRWCGFLAWUVYBE-UHFFFAOYSA-N 303.318 1.103 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N1CC(CC2CC2)C1 1331116474 LKFPWTLAWFDHOV-UHFFFAOYSA-N 302.374 1.609 10 10 DDCE CN(c1cc2c(cc1Br)[C@@H](O)C(=O)N2)C1COC1 1915701965 UWVXFTODQFXRNS-LLVKDONJSA-N 313.151 1.270 10 10 DDCE COC(=O)c1cccc(CC(=O)NCc2cc(O)ccc2O)c1 1558175644 ZEPSPJHIDKFXRV-UHFFFAOYSA-N 315.325 1.743 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2C[C@H]3CCN(C)[C@H]3C2)cc1 1559852025 BDYDRCKAUTXHLM-WBVHZDCISA-N 316.449 1.005 10 10 DDCE Cn1c(O)nc2cc(C(=O)NCc3ccc(O)cc3O)ccc21 1638351945 JPDNGEUCVCRVKL-UHFFFAOYSA-N 313.313 1.620 10 10 DDCE COc1ncnc(OC)c1C(=O)NCc1c(O)cccc1F 1638862564 BLDJCQWEFWSCOB-UHFFFAOYSA-N 307.281 1.269 10 10 DDCE COCc1nnc2n1CCN(Cc1ccc(N(C)C)c(C)c1)C2 1647076984 FATHPOYIRLEPOQ-UHFFFAOYSA-N 315.421 1.815 10 10 DDCE CCC(=O)NC[C@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 1738637633 UWUIHGMLQTYIQW-GFCCVEGCSA-N 317.349 1.590 10 10 DDCE CCOC(=O)c1ccc(C(=O)NCc2c(O)cccc2O)nc1 1647290777 RXOUMDCZAAYSGR-UHFFFAOYSA-N 316.313 1.600 10 10 DDCE NC(=O)c1cc(C(=O)NCc2ccc3cccnc3c2O)co1 1643282823 AOMDEMOJJWBXOW-UHFFFAOYSA-N 311.297 1.562 10 10 DDCE Cn1cc(C(=O)CCC(=O)NCc2cccc(O)c2O)cn1 1651176055 YWKFZQCJKTYEEQ-UHFFFAOYSA-N 303.318 1.111 10 10 DDCE CC(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)cc1O 1593872766 DMSFHMLMSBQWCZ-UHFFFAOYSA-N 301.298 1.936 10 10 DDCE COC(=O)NS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 163239395 GSYRQVKDRQHHMX-UHFFFAOYSA-N 315.134 1.712 10 10 DDCE C[C@H](O)c1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)c(Cl)c1 2144166277 GAHMIZVXCHGFEY-MVWJERBFSA-N 315.822 1.874 10 10 DDCE O=S1(=O)C[C@@H]2CC(NCc3cc(Cl)ccc3O)C[C@H]2C1 1974475826 JLKNJJIBCULLEY-QWRGUYRKSA-N 315.822 1.958 10 10 DDCE Cn1cc(Br)c(S(=O)(=O)NCCCN=[N+]=[N-])n1 2008841498 BJNJSBPAOYCSPE-UHFFFAOYSA-N 323.176 1.161 10 10 DDCE Cc1cn(CCNCc2cccc(Br)c2O)nn1 2033277232 BTKCZZZKUDKXLC-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCC=C(Cl)Cl 407423054 IYMZBJRSQGJJBA-QMMMGPOBSA-N 305.161 1.403 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN1CCOC1CCS(=O)(=O)CC1 2179617979 VWDRWECXBFDFIX-LLVKDONJSA-N 302.400 1.355 10 10 DDCE COc1ccc([C@H](C)N(C)CCCS(C)(=O)=O)c(O)c1 710593312 XADYZKAGPVUHMT-NSHDSACASA-N 301.408 1.828 10 10 DDCE N[C@H]1CC(CN2CCc3ccc(Br)cc32)=C[C@H]1O 2067765546 CQECIJOIPHBNSS-GXTWGEPZSA-N 309.207 1.830 10 10 DDCE Nc1ccc(O)c(CNC(=O)c2c[nH]nc2Br)c1 2070679827 BJEQPBITOSPTOH-UHFFFAOYSA-N 311.139 1.390 10 10 DDCE Cn1ncc(Br)c1Cn1ccc2c(c1=O)CNCC2 2094404002 FOCCXAHDBNVZMF-UHFFFAOYSA-N 323.194 1.038 10 10 DDCE CSc1ncc(CNC[C@H]2CCN(S(C)(=O)=O)C2)s1 2208647926 QTAWVCLCFOEOHV-SECBINFHSA-N 321.493 1.236 10 10 DDCE O=S(=O)(Nc1ccc(O)c(F)c1)[C@H]1CNC2(CCC2)C1 2239355497 QJWPNDSRTKLKNQ-SNVBAGLBSA-N 300.355 1.558 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@@H]2CC[C@@H]2N)s1 2256950642 XDCWQPIMNGPJSG-CBAPKCEASA-N 307.466 1.022 10 10 DDCE COc1ccc(O)c(CNC(=O)C=Cc2cncc(O)c2)c1 2308034350 SUASFBAOJAIFRR-UHFFFAOYSA-N 300.314 1.831 10 10 DDCE CSc1ncc(CN[C@@](C)(C(=O)O)[C@H]2CCCN2)s1 2349501816 PCWPTNBNPCWSOJ-BXKDBHETSA-N 301.437 1.550 10 10 DDCE CO[C@@H]1CC[C@](NCc2cnc(SC)s2)(C(=O)O)C1 2350652836 OOEVIYYKZONZJM-PRHODGIISA-N 302.421 1.977 10 10 DDCE CCCNCc1cc(F)c(N(C)C[C@@H](O)COC)c(F)c1 62713318 WNJFFIJNVHVKML-GFCCVEGCSA-N 302.365 1.908 10 10 DDCE CN(C[C@@H]1CCOC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 301697062 QFHSQUKULMUQMO-VIFPVBQESA-N 307.306 1.398 10 10 DDCE C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCCO1 183090936 FBGQHJNJRRJMCG-RHSMWYFYSA-N 319.449 1.868 10 10 DDCE O=C1COC[C@@H](c2cc(Cl)cc(Br)c2O)N1 1951965995 KDTJJHVVEVJBNK-QMMMGPOBSA-N 306.543 1.996 10 10 DDCE CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cccc(O)c3O)[C@@H]2C1 365756388 DYZZQAWRCLNFEP-QKCSRTOESA-N 307.346 1.506 10 10 DDCE O=C1CC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCN1 815008866 QNUNJQPUUOGYCK-HNNXBMFYSA-N 315.417 1.819 10 10 DDCE CC[C@@H](Cn1cncn1)NC[C@@H](N)c1ccc(N(C)C)cc1 817942894 RGGWYQHATCKYDO-GOEBONIOSA-N 302.426 1.412 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNCCO[C@@H]2CC2(F)F)c1O 827073550 XJCGNEHTZHJXKI-SNVBAGLBSA-N 318.276 1.823 10 10 DDCE C[C@H](NC[C@]1(CO)COCCN1C)c1ccc(Cl)cc1O 903277588 HVONZIWZCRMKHG-NHYWBVRUSA-N 314.813 1.389 10 10 DDCE C[C@@H](CO)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 823531301 YVNBVANJPMGFNW-ZDUSSCGKSA-N 321.421 1.170 10 10 DDCE COc1cc(Br)cc([C@H]2[C@@H](N)CCN2C)c1O 1952653030 KXBKSJLUZZWHQB-ONGXEEELSA-N 301.184 1.867 10 10 DDCE CC(C)(C)OC(=O)N1CCN[C@](C)(c2cc(O)nc(O)c2)C1 1952609923 YXMMOIFGEBOBJC-HNNXBMFYSA-N 309.366 1.548 10 10 DDCE FC(F)[C@@H]1CNCCN1Cc1ccc(N2CCOCC2)cc1 843124919 PMQMNAHXCBRIKC-HNNXBMFYSA-N 311.376 1.562 10 10 DDCE C[C@H]1CN([C@@H](C)CNC(=O)Cc2ccc(N)cc2)C[C@@H](C)O1 848431287 HZRPFCRCXSENKV-MELADBBJSA-N 305.422 1.425 10 10 DDCE CCOC(=O)C1(O)CCN(Cc2ccc(N(C)C)cc2C)CC1 840918481 UGJKSXOTIRHFJB-UHFFFAOYSA-N 320.433 1.951 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCNC[C@](C)(F)C1 841823911 KFJITSNPMQRBLZ-KRWDZBQOSA-N 322.428 1.904 10 10 DDCE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1c1c(N)cccc1O 1953048008 YNHPNGWIJKMQAS-SNVBAGLBSA-N 307.350 1.382 10 10 DDCE CN(C)CCN1CCN(Cc2c(O)cccc2Cl)CC1=O 846011905 SFNLJLKGCVAWTH-UHFFFAOYSA-N 311.813 1.251 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@]34CCOC4)C2)cc1 855225984 MMPTTXBCVILHBL-OWQGQXMQSA-N 316.401 1.817 10 10 DDCE CC[C@@H](NCC[C@@H]1CNCCS1(=O)=O)c1ccccc1O 925791109 FFMVFAGUSPSJGA-TZMCWYRMSA-N 312.435 1.210 10 10 DDCE Cc1cc(CC(=O)N2CCNC(=O)C2)c(C)n1-c1ccccc1 854223881 JHVICSPRABYSOT-UHFFFAOYSA-N 311.385 1.595 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1 1899734472 MMKUKNKJHTUMIH-RVMXOQNASA-N 324.421 1.803 10 10 DDCE CON1CCC(C(=O)NCc2ccc3cccnc3c2O)CC1 868937670 MAHTZNATNUPCHX-UHFFFAOYSA-N 315.373 1.830 10 10 DDCE Cc1cc(Br)c(O)c(CNC[C@@H](O)[C@H](C)O)c1 865739252 OOIXQDNJJDLPSB-GZMMTYOYSA-N 304.184 1.294 10 10 DDCE C[C@@H](NC[C@@]12COCCN1C(=O)OC2)c1cc(F)ccc1O 866520817 IGPYFTBTOREXEN-BMIGLBTASA-N 310.325 1.403 10 10 DDCE COC[C@@H]1C[C@@H](O)CN1C(=O)c1cc2cc(O)c(O)cc2s1 898275177 MNYMMHLOLCMGMV-VHSXEESVSA-N 323.370 1.534 10 10 DDCE COC(=O)/C=C/c1ccc(N2C[C@@H]3C[C@]3(CO)C2)c([N+](=O)[O-])c1 782408724 UUOYSVNFMPOBPE-KHTIXYADSA-N 318.329 1.600 10 10 DDCE COC(=O)[C@@H]1C[C@@H]1CNC(=O)N(C)Cc1ccc(N(C)C)cc1 891244190 COVXLDABXMZYCU-UKRRQHHQSA-N 319.405 1.703 10 10 DDCE O=S1(=O)C=C[C@H](NCc2c(O)cccc2Br)C1 706830541 ZOKHXHHSSTVSEF-QMMMGPOBSA-N 318.192 1.555 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1n[nH]c(-c2ccccn2)n1 1142039788 XPEUBETZMVHRKH-UHFFFAOYSA-N 311.301 1.459 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1cc(CN)cs1 2192588567 ATNRNYCKDKHUKH-UHFFFAOYSA-N 312.416 1.733 10 10 DDCE CC(=O)c1cn(CC(=O)NCc2cc(Cl)ccc2O)nn1 1300396452 UFBMSZNYKUEMCA-UHFFFAOYSA-N 308.725 1.156 10 10 DDCE CN(c1ccc(N)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1959522519 DQNMUOXMTPRHBX-UONOGXRCSA-N 307.394 1.685 10 10 DDCE CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1885561102 MYFVHMLPWQZEKE-SECBINFHSA-N 313.383 1.818 10 10 DDCE COc1ncc(S(=O)(=O)N2CC[C@H](CN=[N+]=[N-])C2)s1 1912145508 IBBKOKNTUCOSOO-SSDOTTSWSA-N 303.369 1.473 10 10 DDCE COC1(OC)CC(CNC(=O)N2Cc3cccc(O)c3C2)C1 1528099748 FGCSYLVWGNZXRY-UHFFFAOYSA-N 306.362 1.817 10 10 DDCE NC(=O)c1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 1299721769 QZPXEFGDEIWZFM-UHFFFAOYSA-N 321.336 1.969 10 10 DDCE CCOCCn1cc(C(=O)NCc2cccc(O)c2O)cn1 1521851006 CSOGSYYTTICIPW-UHFFFAOYSA-N 305.334 1.261 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(O)[C@@H](N)c1ccccc1O 1919779627 AEDJDZJZYOSZPG-WWGRRREGSA-N 324.377 1.047 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1c(F)ccc2c1OCO2 1643104433 YNQUOIQVCKLFLO-UHFFFAOYSA-N 305.261 1.896 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3[C@@H](C2)C3(F)F)cc1 1653830017 FXKHOMVALQEULC-HUUCEWRRSA-N 323.387 1.956 10 10 DDCE COC(=O)c1ccc2c(c1)N(C(=O)/C=C/c1cn(C)cn1)CC2 1586328041 VHZRMGPCTNQIMQ-AATRIKPKSA-N 311.341 1.809 10 10 DDCE COC[C@H](C)C(=O)N(C)CCNCc1ccc(OC)c(C)c1 1663851512 UDPBHKXSMMPUSV-AWEZNQCLSA-N 308.422 1.834 10 10 DDCE C[C@H]1SC(=S)N(CCCC(=O)NC[C@H]2CCCO2)C1=O 11636193 XKBWLIPJDCXUMR-NXEZZACHSA-N 316.448 1.311 10 10 DDCE CCn1cc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)cn1 166644320 GBSOMQCJXLRAAT-WQLSENKSSA-N 305.407 1.121 10 10 DDCE O=C1NC(=O)C(=C/C=C\c2coc3ccccc3c2=O)C(=O)N1 6231241 SARBGMZDABSEEL-ARJAWSKDSA-N 310.265 1.099 10 10 DDCE CO[C@@H]1c2ccc(O)cc2OC[C@@]1(O)Cc1ccc(O)c(O)c1 13341369 HHDPKXQKOWHDNA-SJORKVTESA-N 318.325 1.857 10 10 DDCE biogenic CCNCc1ccc(N2CCNC(=O)C2)cc1Br 233530212 QBKKOUJMYJQOOA-UHFFFAOYSA-N 312.211 1.495 10 10 DDCE COCCNCc1ccc(N2C[C@H](O)[C@H](F)C2)cc1Cl 2149257746 LZBCDNNQLHJNQP-KGLIPLIRSA-N 302.777 1.595 10 10 DDCE CO[C@H]1COC[C@@H]1NCc1ccc(Br)cc1O 2008134692 PZRYROUMPJPAMA-JQWIXIFHSA-N 302.168 1.658 10 10 DDCE C[C@H]1CN(c2ccc(CN)cc2Br)C[C@H](CO)O1 300420991 CEQNEEUZBVZYOH-GXSJLCMTSA-N 315.211 1.494 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3[C@H]4CC[C@H]3[C@@H](C)[C@H](O)C4)c2n1 2064841966 FHFFIBXJXMJGOM-RSLMWUCJSA-N 316.361 1.117 10 10 DDCE C[C@@H](c1cc([N+](=O)[O-])ccc1O)n1nccc1C(=O)N(C)C 2069883419 FWKNTPZISZXSAW-VIFPVBQESA-N 304.306 1.808 10 10 DDCE Cn1c(C2=C[C@@H](O)[C@@H](N)C2)nc2cc(Br)ccc21 2067764451 AORCHSHJKLWSAN-JOYOIKCWSA-N 308.179 1.811 10 10 DDCE Cc1cccc(CNc2snc(N)c2S(C)(=O)=O)c1O 2204627232 WZHLIATWRGKHMC-UHFFFAOYSA-N 313.404 1.755 10 10 DDCE CNCc1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1C 2206698785 CCBSXDKQPYVNOO-UHFFFAOYSA-N 304.362 1.540 10 10 DDCE CSc1ncc(CNC[C@@H](O)CN2CCCCC2)s1 2208444977 FAKMIXQBOLSPCJ-LLVKDONJSA-N 301.481 1.801 10 10 DDCE Oc1cccc(Br)c1CN[C@@H]1CCn2cnnc2C1 2228339541 HGNMIYBPWBHGCJ-SECBINFHSA-N 323.194 1.851 10 10 DDCE Cc1cc([C@H](C)O)ccc1N(C)CCS(=O)(=O)N(C)C 2240830355 NIQJHBWQGCUOKV-LBPRGKRZSA-N 300.424 1.376 10 10 DDCE NCc1ccc(N2CCC[C@H]2CC(N)=O)c(Br)c1 2257767930 QPKPLNRQMACSMZ-JTQLQIEISA-N 312.211 1.752 10 10 DDCE CSc1ncc(CNC(=O)[C@@]23[C@@H](N)[C@H]4CC[C@H]2[C@H]3C4)s1 2284506642 HNIDEQBIJBDNDM-OJEILVMQSA-N 309.460 1.855 10 10 DDCE COC(=O)C(C)(C)CS(=O)(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2290075180 XPZGOBUDNFAAAZ-DTWKUNHWSA-N 304.372 1.336 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NC[C@H](O)Cc1ccccc1 2307989767 IQFCHKBUDZMXLL-OAHLLOKOSA-N 313.353 1.831 10 10 DDCE CCOc1ccc(C=C2C(=O)NC(=O)N(C)C2=O)cc1OCC 2313548968 KICAJWICTUYTGF-UHFFFAOYSA-N 318.329 1.576 10 10 DDCE CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cccc(O)c1O 807230270 DNUZBMPRSSYGPJ-PLNGDYQASA-N 322.361 1.909 10 10 DDCE COC[C@H](CN)NCc1ccc(C)c(Br)c1O 2307480982 ZKRKPNPEAKCUPJ-JTQLQIEISA-N 303.200 1.526 10 10 DDCE NCc1cc(F)c(N2[C@H]3CC[C@@H]2C[C@@H](O)[C@@H]3O)cc1Cl 2357055330 UORPBWDJMNECOD-MGNUUCGSSA-N 300.761 1.401 10 10 DDCE C[C@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)C[C@H](C)O1 70490467 GIBHEHNDXUNNTD-RYUDHWBXSA-N 314.407 1.087 10 10 DDCE Cc1n[nH]c(C(=O)O)c1S(=O)(=O)Nc1ccc(O)c(F)c1 70330122 CODJGOHYXHKYHU-UHFFFAOYSA-N 315.282 1.062 10 10 DDCE COC(=O)CCCS(=O)(=O)Nc1cc(C)c(O)c(C)c1 2366469514 XWPWTVFKNYFAFM-UHFFFAOYSA-N 301.364 1.704 10 10 DDCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCCN(Cc2ccccc2)C1 380903396 VRXIFCWZZCXNGA-HNNXBMFYSA-N 302.382 1.406 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](c1c(F)cccc1Cl)N(C)C 808533927 CDVJYFHBNNBVIN-CYBMUJFWSA-N 315.728 1.783 10 10 DDCE CCn1ccnc1CNC(=O)NCc1ccc(N(C)C)cc1 296340122 NAORFSRSXBTHDC-UHFFFAOYSA-N 301.394 1.968 10 10 DDCE COc1ccc(N2CCCN(C(=O)C3CC(C)(O)C3)CC2)cc1 822656392 XQUPUEMSYCMANJ-UHFFFAOYSA-N 318.417 1.895 10 10 DDCE O=C1N[C@]2(C(=O)NCc3cc(Cl)ccc3O)C[C@H]3C[C@@H]1[C@H]2C3 846477001 PWVURGLJGPMDRU-NJWMAWPNSA-N 320.776 1.577 10 10 DDCE CCO[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)C[C@H]1CN 844903647 JAYIAOPGILMYAD-MLGOLLRUSA-N 310.394 1.205 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@@H](C)NC(N)=O 848226523 UGUIWTCOTUHQGV-CHWSQXEVSA-N 320.437 1.555 10 10 DDCE O=C1N[C@H](CCF)C(=O)N1Cc1ccc(N2CC=CC2)cc1 844716021 HDHPDKUUQWZNLQ-CQSZACIVSA-N 303.337 1.843 10 10 DDCE COc1ncccc1CNC(=O)NCCc1ccc(N)cc1 841687347 DVDXEPCMECHWGF-UHFFFAOYSA-N 300.362 1.714 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNC2(C(=O)N(C)C)CC2)c1O 840958330 PDYMAMOFZXIYFT-UHFFFAOYSA-N 309.322 1.019 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCCn2nncc2C1 923799958 WMGROUAQHMXNHP-HWKANZROSA-N 300.318 1.135 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3[C@H]4OCCC[C@@H]43)C2)cc1 855225439 IYZBPDRPIVRUQP-DXEWXGHRSA-N 316.401 1.815 10 10 DDCE CN(C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)c1cnn(C)c1 859541625 JPDWCVLPAVUVAW-GFCCVEGCSA-N 320.393 1.996 10 10 DDCE O=C1NCC[C@@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)[C@H]12 922444070 VVHXNOYDQABBKR-XVBBPSCPSA-N 316.357 1.238 10 10 DDCE COC(=O)[C@@](C)(CCF)NC(=O)/C=C\c1ccc(O)c(O)c1 855909484 DJZJWXKMPZTHCE-ZDTYVGOBSA-N 311.309 1.519 10 10 DDCE CCO[C@@H]1COCC[C@H]1CC(=O)NCc1ccc(O)c(O)c1 866769307 KBRCGOSYQOILEM-SWLSCSKDSA-N 309.362 1.546 10 10 DDCE Cc1cc(C(=O)O[C@@H]2CC(=O)N(C)C2)c(C)n1-c1ccccn1 764735764 BPFFMXMSZHXYBK-CYBMUJFWSA-N 313.357 1.877 10 10 DDCE CC[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H](C)O1 1119003201 CZWQZLADLPCICN-WCQYABFASA-N 318.373 1.260 10 10 DDCE CC(C)CS(=O)(=O)CCC(=O)N1Cc2cccc(O)c2C1 871200327 AKNUMTKTSDLJOO-UHFFFAOYSA-N 311.403 1.695 10 10 DDCE O=C(NC[C@H](O)C(F)(F)F)c1cc2cc(O)c(O)cc2s1 896819535 VGZBHPMCIYHTJP-JTQLQIEISA-N 321.276 1.966 10 10 DDCE OCC[C@@H]1CCCCN1Cc1ccc(N2CCNCC2)cc1 84857375 KUHNQYROOFZKCJ-KRWDZBQOSA-N 303.450 1.833 10 10 DDCE CN(C[C@H](O)CO)c1ccc(CNC(=O)OC(C)(C)C)cc1 1959544754 SDGONDJRAVCKTD-AWEZNQCLSA-N 310.394 1.501 10 10 DDCE COC(=O)c1ccc(CC(=O)NCc2ccccc2O)cn1 1150536242 MEBBSJQPRJIWBD-UHFFFAOYSA-N 300.314 1.433 10 10 DDCE C[C@@H](NC(=O)NC[C@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 1226647265 SIHAPENYONJMJB-VXGBXAGGSA-N 304.394 1.249 10 10 DDCE O=C(NCCCc1nc[nH]n1)NCc1cc(Cl)ccc1O 1230744708 YHBUZQPWSCUJAF-UHFFFAOYSA-N 309.757 1.596 10 10 DDCE NC(=O)C[C@@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 1335329715 NLWDFJDSIXRTSF-MRXNPFEDSA-N 303.406 1.363 10 10 DDCE COc1ccc(CNC[C@H](C)N(C)C(=O)[C@@H](C)OC)cc1C 1268056587 XJSWMZYIUIEFOF-UONOGXRCSA-N 308.422 1.975 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN1CCN[C@H]2COC[C@H]21 2132566224 GDSFXNBLTUWQOJ-NWDGAFQWSA-N 303.189 1.872 10 10 DDCE Cc1noc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)n1 1292194205 GDPORVGLBAJJFM-UHFFFAOYSA-N 319.342 1.976 10 10 DDCE Cc1occc1C(=O)NCC(=O)NCc1c(O)cccc1F 1635360277 HEIHZMQDGRHDEL-UHFFFAOYSA-N 306.293 1.479 10 10 DDCE COCCN(CC(=O)O)Cc1cc(Cl)cc(OC)c1O 229119007 XRMCBQBZEQXTIF-UHFFFAOYSA-N 303.742 1.587 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC/C=C\CNCCCO)cc1 1669214156 OFHZPFUVENBRIQ-IQINBNNGSA-N 319.365 1.107 10 10 DDCE C[C@@H]1OCC[C@H]1N(C)S(=O)(=O)CCOc1ccc(N)cc1 157950550 CRUFKJHTTZXGQO-SMDDNHRTSA-N 314.407 1.087 10 10 DDCE COc1ccc(Br)c(CN2C[C@@H](N)[C@H](C)C2)c1O 1206065463 WSZWJYUGXBTFJC-LDYMZIIASA-N 315.211 1.942 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)OC(C)(C)C)cc1C 1963438483 KJIAMRDDMVWHSC-AWEZNQCLSA-N 324.421 1.979 10 10 DDCE CNCc1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c(F)c1 2148773216 BMMDJVUQAQTNTF-GFCCVEGCSA-N 300.399 1.416 10 10 DDCE CN(C[C@@](C)(O)CO)c1ccc(CNC(=O)OC(C)(C)C)cc1 1980067497 KCXDMGICIKBIPR-QGZVFWFLSA-N 324.421 1.891 10 10 DDCE CO[C@@]1(CO)CCN(c2ccc(CN)c(Br)c2)C1 402946680 PEPFJJSKRMWAOO-ZDUSSCGKSA-N 315.211 1.495 10 10 DDCE NCc1cc(F)c(N2CCC[C@@H](NC(N)=O)C2)cc1Cl 2177381466 NLPRNHBCMRCHCQ-SECBINFHSA-N 300.765 1.575 10 10 DDCE CN(CC1[C@@H]2CS(=O)(=O)C[C@@H]12)c1ccc(CO)c(Cl)c1 2174674992 IVTHXMDXCJBXSK-STQMWFEESA-N 315.822 1.559 10 10 DDCE C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(O)cc1O 2191411403 XTHJVEJMKPPAQK-SNVBAGLBSA-N 301.408 1.962 10 10 DDCE COC(C)(CCNS(=O)(=O)Cc1ccc(N)cc1)OC 2191778747 PJPWTHRHDMSZCD-UHFFFAOYSA-N 302.396 1.087 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)c1occc1CO 2101573022 DXGHHTJEVKJYIC-UHFFFAOYSA-N 303.723 1.932 10 10 DDCE CN(C)c1ccc(CN=c2cc(Br)[nH]c(=N)[nH]2)cc1 2104183123 LOAHEMSLSWOUJR-UHFFFAOYSA-N 322.210 1.752 10 10 DDCE OCc1ccc(N2C[C@@H](O)C[C@H](F)C2)c(Br)c1 2213902858 BBHKFBJQEJCCOY-UWVGGRQHSA-N 304.159 1.851 10 10 DDCE C[C@@H](N)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)c(F)c1 2206706461 PNTYRFGKUDLWNX-SSDOTTSWSA-N 308.325 1.671 10 10 DDCE COC(=O)[C@H](C1CC1)S(=O)(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2234167333 VPJYSZPYKQNTJK-GUBZILKMSA-N 302.356 1.089 10 10 DDCE COc1ncc(/C=C/C(=O)N(C)c2cccnc2OC)cn1 492652259 PRHAAKSVJALWNQ-VOTSOKGWSA-N 300.318 1.565 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NC[C@@H]1CCN(C2CC2)C1 2307986554 HUPHLNLKLMRTBW-ZDUSSCGKSA-N 302.374 1.712 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1Cl 2336342223 GIECTQXPMTZWAB-JRKPZEMJSA-N 301.795 1.627 10 10 DDCE NCc1cc(F)c(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)cc1Cl 2336546590 RIHNOWSDOYAUJH-QPUJVOFHSA-N 304.774 1.171 10 10 DDCE CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCc1ccc(N(C)C)c(F)c1 57557966 OHGJSSUEOWZPAC-QMTHXVAHSA-N 324.400 1.591 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)[C@@H](C)C2)c1O 175685942 ORECXLASFIYYBD-VIFPVBQESA-N 315.366 1.353 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)COC[C@H]1CCOC1 117747316 VBICEUVDMZYAHI-HNNXBMFYSA-N 306.406 1.764 10 10 DDCE CN(C)C(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3)CC1 62575844 AZAJMMPYPTVKJJ-UHFFFAOYSA-N 302.378 1.375 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN[C@@H]3C)CC2)cc1 316019670 CSPPFUAMLACPRO-CZUORRHYSA-N 303.406 1.342 10 10 DDCE O=C(CN1C(=O)CSC1=S)NCc1ccccc1Cl 82307092 SSIYLEGTMTXUJG-UHFFFAOYSA-N 314.819 1.817 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC2(CO)CCCCC2)cc1 130688078 VCNRXGHMUFREOG-UHFFFAOYSA-N 312.435 1.631 10 10 DDCE CC[C@@H]1C(=O)NC(=O)CN1c1ccc([C@H](C)NC)cc1Cl 251723786 SAWQLJDNQXUIQA-JOYOIKCWSA-N 309.797 1.862 10 10 DDCE CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCc1ccc(N)cc1 372572118 OFKSTOHAEQJICZ-DAYGRLMNSA-N 317.433 1.460 10 10 DDCE CCS(=O)(=O)NC1CN(c2ccc([C@H](C)O)cc2Cl)C1 2165631061 STFJCIUTCMNQRU-VIFPVBQESA-N 318.826 1.521 10 10 DDCE C[C@H](O)CNCc1ccc(N2CCN(CC3CC3)CC2)cc1 819199551 AQWJIZSERWQNRJ-HNNXBMFYSA-N 303.450 1.689 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C[C@H]1COCCO1 823576465 OZHSLLZKKYYNAG-AWEZNQCLSA-N 309.362 1.173 10 10 DDCE C[C@@H](NC[C@]1(CO)COCCN1C)c1cc(Cl)ccc1O 903283934 YIHCUNRWAORFGY-ABAIWWIYSA-N 314.813 1.389 10 10 DDCE CN1CCN(c2ccc(CN[C@](C)(CCF)C(=O)O)cc2)CC1 901916609 VNRNHMYXYHVBKG-QGZVFWFLSA-N 323.412 1.731 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(O)nc1 831924674 LHCOVTHCTQRSAE-SNVBAGLBSA-N 302.330 1.488 10 10 DDCE Cc1nc(S(=O)(=O)NCCc2ccc(N)cc2)sc1C 842822707 JJUBDEXTMWJRAI-UHFFFAOYSA-N 311.432 1.863 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)c1cnc2n1CCOC2 855022528 ARCAJWUVEKNXKC-UHFFFAOYSA-N 307.737 1.702 10 10 DDCE CCS(=O)(=O)C1(CNC(=O)c2ccc(C)c(O)c2O)CC1 856124846 FBPOSWCWVYKHCG-UHFFFAOYSA-N 313.375 1.103 10 10 DDCE CCO[C@@H](C(=O)NCc1ccc(OC)cc1O)[C@@H]1CCOC1 867955957 JRZZVDOEPSOICS-IUODEOHRSA-N 309.362 1.459 10 10 DDCE CN1CCN(c2ccc(CN[C@@H](CO)C3CCC3)cc2F)CC1 1118420138 MLSCWXNUILXDOP-KRWDZBQOSA-N 321.440 1.828 10 10 DDCE CC[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H](C)CO1 1119021802 YXMUDEBZZITNAM-DGCLKSJQSA-N 318.373 1.260 10 10 DDCE COC(=O)[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 775650665 TVFDFYDPGIVDRC-MRXNPFEDSA-N 317.433 1.433 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]4C[C@H]43)c(Br)cc21 706974683 SQURKDOTJIOGFR-QDWQASTRSA-N 308.179 2.000 10 10 DDCE c1ccc(-n2nnnc2CNCc2ccc3c(c2)CCO3)cc1 1308252148 VEYJMVOXWQHBLS-UHFFFAOYSA-N 307.357 1.887 10 10 DDCE Cn1cc([N+](=O)[O-])c(C(=O)Nc2c(Cl)ccc3nonc23)n1 1327166798 LNHVZKODHOMELU-UHFFFAOYSA-N 322.668 1.770 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCCN1CCO 1325295385 GYPDYPUPHRNJQS-DYLGSBMWSA-N 320.389 1.074 10 10 DDCE CN1CCN(c2ccc(CN3CC[C@@H](F)[C@H](N)C3)cc2F)CC1 1261650882 XMAKLROYLGCYLO-GDBMZVCRSA-N 324.419 1.449 10 10 DDCE CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1cccc(O)c1O 1455615843 SSBUBCXCFOITRN-PWSUYJOCSA-N 323.345 1.328 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](O)C[C@@H]1c1ccccc1 1299243816 YAUDOINASVAYHY-LSDHHAIUSA-N 313.353 1.975 10 10 DDCE CN(C)c1ccnc(CNC(=O)c2c(F)ccc(O)c2O)c1 1611645160 JNLKTWMHEZCSBX-UHFFFAOYSA-N 305.309 1.628 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCC12CCOCC2 1471227631 RFLLVPMDBSWXAJ-CYBMUJFWSA-N 305.374 1.963 10 10 DDCE CN(C)[C@H]1COC[C@@H]1NCc1cc(Br)ccc1O 1922042532 RTWBPTSKWCJTAN-RYUDHWBXSA-N 315.211 1.573 10 10 DDCE CCS(=O)(=O)N(C)CCN[C@H](C)c1ccc(F)cc1O 1926358640 WTDKZUVTBUYQSA-SNVBAGLBSA-N 304.387 1.463 10 10 DDCE CN(C)C(=O)c1cccc(C(=O)NCc2cccc(O)c2O)c1 1633508247 MWFUSIKZLDYRSY-UHFFFAOYSA-N 314.341 1.730 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC3(CCNC(=O)O3)C2)cc1 1645889902 AQRAQRWCGVTXQI-UHFFFAOYSA-N 317.305 1.174 10 10 DDCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](C)N(C)C 1762515913 PERMMWCMIMYTLV-GFCCVEGCSA-N 303.410 1.879 10 10 DDCE Cn1cc([C@@H](N)c2ccccc2O)c(=NC(=O)OC(C)(C)C)[nH]1 1936968170 OFGYYKRWSZBDBJ-ZDUSSCGKSA-N 318.377 1.943 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 1885563243 RLCAOWGWNFMRQD-SECBINFHSA-N 301.347 1.031 10 10 DDCE Cc1[nH][nH]c(=NC(=O)OC(C)(C)C)c1C(=O)N1CC(N=[N+]=[N-])C1 1985103225 RWANZETUKPGSMB-UHFFFAOYSA-N 321.341 1.622 10 10 DDCE Oc1cccc(Br)c1CNC[C@@H](O)c1cnc[nH]1 2028280679 PLPAMAFNIAENDU-GFCCVEGCSA-N 312.167 1.701 10 10 DDCE NCc1ccc(N2CC(CC(N)=O)C2)c(F)c1Br 382069031 BWKAIMYCTMKMNN-UHFFFAOYSA-N 316.174 1.359 10 10 DDCE Oc1cc2c(cc1CN[C@H]1CCCCC13OCCO3)OCO2 715684979 SKLWCBRIDBACIE-HNNXBMFYSA-N 307.346 1.896 10 10 DDCE CN(c1ccc(CN)cc1Cl)C1CC(S(C)(=O)=O)C1 716151140 BGBBIWQEIBKMGS-UHFFFAOYSA-N 302.827 1.811 10 10 DDCE CN[C@@H](C)c1ccc(N(C)CC(N)=O)c(Br)c1 723166762 QWGNGEFTHJIMJV-QMMMGPOBSA-N 300.200 1.651 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@@H]3CCO[C@H](C)C3)c2n1 2063416034 WSBZCPMATJPKLQ-GHMZBOCLSA-N 304.350 1.288 10 10 DDCE OCc1ccc(N2CC[C@@H](O)C[C@H]2CO)c(Br)c1 2080493597 IBDTZXLTUDZAAA-WDEREUQCSA-N 316.195 1.263 10 10 DDCE Nc1ccc(CC(=O)NCCc2conc2Br)cc1 2230532060 PXZNZCLPHNCPSD-UHFFFAOYSA-N 324.178 1.921 10 10 DDCE CO[C@@H]1CN(c2ccc(CN)c(Cl)c2)[C@@H](CO)[C@H]1OC 2233359113 YFLAOSYLBKTIEV-BFHYXJOUSA-N 300.786 1.010 10 10 DDCE COc1ccc(N(C)CCS(=O)(=O)C(C)C)c(CO)c1 2236000961 CEQPXXDKAREUHO-UHFFFAOYSA-N 301.408 1.447 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2ncccc2N)s1 2269270934 KHORSSSGNYFMDG-UHFFFAOYSA-N 316.433 1.321 10 10 DDCE O=S(=O)(CCCNCc1cc(F)ccc1O)C(F)(F)F 2286439323 QMSNOJPADOKCDY-UHFFFAOYSA-N 315.288 1.946 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)N2CCc3ccncc32)c1 492433260 BLBRHEDXODMMHV-IHWYPQMZSA-N 308.341 1.439 10 10 DDCE COCCNC(=O)NCc1ccc(C)c(Br)c1O 2327630122 HWJKOGANNWEMKF-UHFFFAOYSA-N 317.183 1.909 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)cc1Cl 2336471161 PHJYBDDLSGMCGT-RWEMILLDSA-N 300.811 1.593 10 10 DDCE O=C(O)[C@]1(Sc2nccs2)COC2(CCNCC2)C1 2351874087 GJDXWTSLKGVDNW-GFCCVEGCSA-N 300.405 1.601 10 10 DDCE Nc1ccc(NC(=O)CSc2ncnc3nc[nH]c23)cc1 51035948 WZBAJKLQPCKCHH-UHFFFAOYSA-N 300.347 1.666 10 10 DDCE COC(=O)[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 171375151 YDBINKAZJASLQB-GJZGRUSLSA-N 302.374 1.712 10 10 DDCE CCC[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 301844442 SFRSHJWYVNESIO-SNVBAGLBSA-N 321.333 1.931 10 10 DDCE O=C(N[C@H]1CC[C@@H](C(F)(F)F)NC1)c1cccc(O)c1O 126118530 RDBSODRPXFHQEC-XVKPBYJWSA-N 304.268 1.511 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3CCN[C@@H]3C)CC2)cc1 316019669 CSPPFUAMLACPRO-CJNGLKHVSA-N 303.406 1.342 10 10 DDCE COc1ccc(O)c(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 183277402 PQMHBZLXMAIPOQ-HIFRSBDPSA-N 313.419 1.846 10 10 DDCE CN(C)c1ccncc1C(=O)NCCc1ccc(O)c(O)c1 183973099 YQHLJWGMCJRDFI-UHFFFAOYSA-N 301.346 1.531 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCNC3)CC2)cc1 41166687 WLPMUISJQNUNHO-CQSZACIVSA-N 303.406 1.343 10 10 DDCE COc1cc(Cl)c(N2C[C@@H](O)C[C@@H](OC)C2)c(OC)c1 2368107214 WOIXCUCNXMBOEQ-GXSJLCMTSA-N 301.770 1.943 10 10 DDCE Cn1cc(-c2nnc(NCc3cc([N+](=O)[O-])ccc3O)o2)cn1 195022268 KGSHFNFAGNPXRW-UHFFFAOYSA-N 316.277 1.696 10 10 DDCE N[C@@H]1CCCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1 255493367 CIKUQNINRFRSJQ-KQQSKNTNSA-N 315.417 1.486 10 10 DDCE COC[C@@H](O)CN[C@H](C)c1cc(Br)cc(F)c1O 802310754 UFLNTTXDBPGHLZ-APPZFPTMSA-N 322.174 1.952 10 10 DDCE CCCS(=O)(=O)NC1CN(c2ccc(CO)c(Cl)c2)C1 2165623141 RCUBOWIAGVBAHL-UHFFFAOYSA-N 318.826 1.350 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC1COCCOC1 813818761 YMFSVKXHIMJUTC-UHFFFAOYSA-N 307.394 1.309 10 10 DDCE CN1CC2(CN(Cc3ccc(N4CCOCC4)cc3)C2)OC1=O 817413755 GAOJLMNLAXCMDP-UHFFFAOYSA-N 317.389 1.160 10 10 DDCE COC[C@]1(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CCOC1 828885155 WSUBROXZVKZCIN-MEDUHNTESA-N 309.362 1.198 10 10 DDCE CN1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)NC1=O 821032790 GVLXTJNESVFYLF-HNNXBMFYSA-N 316.405 1.267 10 10 DDCE CCN1CCC[C@H]1CNC(=S)NCc1c(O)cccc1F 905662478 WCZWVMGQFXPZEU-NSHDSACASA-N 311.426 1.980 10 10 DDCE COC[C@]1(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CCOC1 828885153 WSUBROXZVKZCIN-BDJLRTHQSA-N 309.362 1.198 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CCC(=O)N(C)C2)c1 738502563 GYPXRABBFDGBHI-MNOVXSKESA-N 321.377 1.382 10 10 DDCE Cc1nn(C)c(C)c1CCNC(=O)NCc1ccccc1O 748459391 GNSXVWOWQUEAAO-UHFFFAOYSA-N 302.378 1.784 10 10 DDCE COc1cc(O)c(CN2CC(C)(C)O[C@@H]3COC[C@H]32)cc1OC 846117691 DTVNRDCGPUFAFZ-MLGOLLRUSA-N 323.389 1.788 10 10 DDCE CC(=O)N1CCC(CNC(=O)NCc2c(O)cccc2F)CC1 917034614 XYCPUCBUEBMXMX-UHFFFAOYSA-N 323.368 1.589 10 10 DDCE Cc1cc(O)c(CN2CCN([C@@H]3CCNC3)CC2)c(Cl)c1 843124660 JEUASOMLOGYZKS-CYBMUJFWSA-N 309.841 1.834 10 10 DDCE CN1CCN(c2ccc(CN[C@@H]3CCCCNC3)cc2)CC1 841091339 VQOSNOMWVMIDLU-QGZVFWFLSA-N 302.466 1.670 10 10 DDCE C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1CO 856781139 QUOPFJWDAUZSHX-NXEZZACHSA-N 321.333 1.380 10 10 DDCE O=C(NCC[S@@](=O)CC(F)(F)F)c1cccc(O)c1O 855270992 YAZLDOKEBHBAFQ-HXUWFJFHSA-N 311.281 1.139 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CCC[C@@H]2NCC[C@@H]21 923415698 IXWXYXWNLLJHAH-ROUUACIJSA-N 301.434 1.850 10 10 DDCE C[S@](=O)C1(CNC(=O)NCc2c(O)cccc2F)CC1 922354475 CBTJQYQNPGYPDV-FQEVSTJZSA-N 300.355 1.242 10 10 DDCE CO[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 933137552 GVWAFMZSIPDWJJ-IAGOWNOFSA-N 318.417 1.546 10 10 DDCE C[C@@H]1OC(=O)N[C@@H]1C(=O)NCc1ccc2cccnc2c1O 862026675 WOFDOTUYCVPFEA-KWQFWETISA-N 301.302 1.054 10 10 DDCE CN(CC[S@](C)=O)Cc1cccc(Br)c1O 399847944 JDJIRANLRCPKNL-INIZCTEOSA-N 306.225 1.965 10 10 DDCE CNCc1ccc(N2CCSC[C@H]2S(C)(=O)=O)c(C)c1 90923206 BFZRJPCLKOIXSL-CQSZACIVSA-N 314.476 1.638 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CNC(=O)C1 1312869563 ZAQIAQFYSVRBOT-ZDUSSCGKSA-N 319.405 1.840 10 10 DDCE C[C@H]1CC[C@@H](C)CN1C(=O)C(=O)N(C)Cc1ccccc1O 1328496398 CSTAZVUEYVWNSY-OLZOCXBDSA-N 304.390 1.998 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2ccnnc2)cc1C 1321655685 XOPXRSKJKGESQP-CYBMUJFWSA-N 314.389 1.702 10 10 DDCE COc1ccc([C@H](O)CNC(=O)Cc2ccc(O)c(O)c2)cc1 1465903451 ORRBCSZQCBJQKI-MRXNPFEDSA-N 317.341 1.499 10 10 DDCE C[C@H](NC(=O)NCc1nc2ncccn2n1)c1ccccc1O 1470555366 FBJDNDPIMWLBNY-JTQLQIEISA-N 312.333 1.390 10 10 DDCE CC(C)(C)N1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1625908661 ZWCFODYKGJMZIV-UHFFFAOYSA-N 306.406 1.973 10 10 DDCE O=C(Cn1c(=O)oc2ccccc21)NCc1ccc(O)cc1O 1639440996 FCWXVXDQMMPBEA-UHFFFAOYSA-N 314.297 1.322 10 10 DDCE COCCN[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1491775676 MIRGKHLFYXFZJO-ZDUSSCGKSA-N 319.365 1.300 10 10 DDCE Nc1nnc(C2CCN(C(=O)c3cccc(O)c3O)CC2)o1 1631882901 FJBZRNKTKRRNEP-UHFFFAOYSA-N 304.306 1.083 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@@H]2CCN(C)C2)cc1C 1664369826 MPLHVUZOHGIJED-MRXNPFEDSA-N 319.449 1.503 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1 1595145147 UUSXTZBLFJZSLT-RTXFEEFZSA-N 318.333 1.383 10 10 DDCE Oc1c(Br)cc(Cl)cc1CN1CCNNCC1 1946763741 JEGYASVPPWRJRI-UHFFFAOYSA-N 320.618 1.718 10 10 DDCE CS(=O)(=O)C[C@H]1CN(c2ccc(CN)c(Cl)c2)CCO1 2143674166 ZPXCDDCAVYIMRE-GFCCVEGCSA-N 318.826 1.049 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)c(Cl)c1 2145071943 IKBQMUTWXAMDAF-PUYPPJJSSA-N 314.838 1.983 10 10 DDCE CC(C)(C)OC(=O)NC1CC(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980369761 NNCDHFKAILXBLK-RUXNMCCTSA-N 324.421 1.945 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C=C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980368970 DVUBJLFVOYQYHV-FDYHWXHSSA-N 322.405 1.721 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)Nc1ccc(N)cc1 1985777647 PHUINTQIBMXXOS-LBPRGKRZSA-N 324.381 1.276 10 10 DDCE C[C@@H]1C(=O)NCCN1c1cc(Br)c(CN)cc1F 310662574 WSXHRHKTUCXYCC-SSDOTTSWSA-N 316.174 1.372 10 10 DDCE Cc1nnc([C@@H](C)NS(=O)(=O)Cc2ccc(N)cc2)s1 391815366 DWLMZJLNPHYKKZ-MRVPVSSYSA-N 312.420 1.609 10 10 DDCE Oc1ccc(Br)cc1CNCCCc1nn[nH]n1 392678771 KBSGNJJYWMTONX-UHFFFAOYSA-N 312.171 1.390 10 10 DDCE COc1ccc(CN(C)CCS(=O)(=O)C(C)C)c(O)c1 2170534205 WCDHOAFEUQKZHF-UHFFFAOYSA-N 301.408 1.656 10 10 DDCE Nc1ccc(Nc2nc(Cl)nc3c2S(=O)(=O)CC3)cc1 2184370848 FQUVVAHGNNAYJI-UHFFFAOYSA-N 310.766 1.786 10 10 DDCE C[C@@H](O)c1cc(F)c(N2CC[C@H](S(C)(=O)=O)C2)c(F)c1 2194517329 LLLUJYSSMYXXHY-SCZZXKLOSA-N 305.346 1.641 10 10 DDCE CN(c1ccc(CN)cc1Br)C1COCCOC1 2067788827 RTDSUXZFNXLGTN-UHFFFAOYSA-N 315.211 1.759 10 10 DDCE Nc1ccc(NC(=O)CCN2CC[C@H](C3OCCO3)C2)cc1 2089607983 AYTZMVJCHQNZEW-LBPRGKRZSA-N 305.378 1.292 10 10 DDCE O=c1c2c(ccn1Cc1ccc(Br)cn1)CCNC2 2094407704 SWBCHUCDSZJCDJ-UHFFFAOYSA-N 320.190 1.700 10 10 DDCE CS(=O)(=O)c1cscc1C(=O)N1CC[C@H](N=[N+]=[N-])C1 2272847054 UUULTEOJBRMDGX-ZETCQYMHSA-N 300.365 1.676 10 10 DDCE CCN(c1ccc(OC)cc1CN)[C@@H](C)CS(C)(=O)=O 2235957388 FLDWFWZSMNRRBK-NSHDSACASA-N 300.424 1.413 10 10 DDCE CC(C)(C)OC(=O)NC12COC(C(=O)N3CC(N=[N+]=[N-])C3)(C1)C2 2243112680 SELDVTZPPRWGIJ-UHFFFAOYSA-N 323.353 1.334 10 10 DDCE CNCc1ccc(N2CC[C@@H]2[C@@H](O)CO)c(Br)c1 2258346128 PBCWIBVDBJIQAC-OLZOCXBDSA-N 315.211 1.100 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CC[C@@H](C(=O)O)O2)s1 2269119965 XLLXDBVNZRZLBG-YUMQZZPRSA-N 302.377 1.113 10 10 DDCE COc1ccc(Br)c(CN2C[C@@H]3C[C@@]3(N)C2)c1O 1236025370 GVXUHYXSMSFULU-ISVAXAHUSA-N 313.195 1.696 10 10 DDCE Cc1ccc(CN2CCNC(=O)CC2)c(O)c1Br 2327792541 LDNBLOOTFROSOS-UHFFFAOYSA-N 313.195 1.785 10 10 DDCE C[C@@H](NCC1(O)CCOCC1)c1ccc(N2CCOCC2)cc1 305143868 RCBBFOWRLWOGBG-OAHLLOKOSA-N 320.433 1.715 10 10 DDCE CN(CC(=O)NC(C)(C)C)C(=O)/C=C/c1ccc(O)c(O)c1 180609910 BOSROBSWKXBMHG-SOFGYWHQSA-N 306.362 1.484 10 10 DDCE COc1ccc(N(C)C[C@H](C)CS(C)(=O)=O)c(OC)c1 131805882 HIQDNCJMDRCXKN-NSHDSACASA-N 301.408 1.821 10 10 DDCE COc1cc(Cl)c(N2C[C@@H](OC)C[C@H]2CO)c(OC)c1 2368104895 CMJDNSSZZYOWTP-ONGXEEELSA-N 301.770 1.943 10 10 DDCE Cc1cc(O)c([C@H](N)CCO)cc1I 238475462 XWKVXHKVMQXSPZ-SECBINFHSA-N 307.131 1.687 10 10 DDCE 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324.377 1.444 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2ccnnc2)cc1C 1317624845 FWCSWUJOUHBONW-UHFFFAOYSA-N 314.389 1.655 10 10 DDCE COC(=O)c1cnc(Sc2nnc(O)n2C(C)C)s1 2126227196 AZVYNELMACTKPK-UHFFFAOYSA-N 300.365 1.959 10 10 DDCE CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1ccc(C)c(O)c1O 1181823056 HGGASTDEXOTSBZ-LOWVWBTDSA-N 319.357 1.962 10 10 DDCE O=C1N[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]2O1 2120405109 KZPQXIAPXVSAHP-NXEZZACHSA-N 303.145 1.992 10 10 DDCE COc1cc(O)ncc1C(=O)NCc1cccc(OC)c1O 1545684132 LHKFZBXFLLYSHL-UHFFFAOYSA-N 304.302 1.440 10 10 DDCE CC[C@@H]1CN([C@H](CC)C(=O)NCc2ccc(O)c(O)c2)CCO1 1545637096 MOTYTHDWPVGCDC-ZIAGYGMSSA-N 322.405 1.603 10 10 DDCE CC[C@@H](CNC(=O)c1cnon1)NCc1ccc(OC)c(C)c1 1481863482 GKICJDJKTFEHMN-ZDUSSCGKSA-N 318.377 1.685 10 10 DDCE C[S@](=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 1558946254 VFYGBRVGPYHHFE-QFIPXVFZSA-N 323.345 1.904 10 10 DDCE CCCN1CCN(C(=O)c2cccc(O)c2O)C(C)(C)C1=O 1633463241 KTIOFZRIJVLURF-UHFFFAOYSA-N 306.362 1.571 10 10 DDCE Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(Cl)c1O 1648606089 HQAJUCJAUKTTSC-UHFFFAOYSA-N 322.708 1.861 10 10 DDCE Cn1nc(Br)c(C(=O)NCCCCN=[N+]=[N-])n1 1964943030 LAHOYTZWTSCXFE-UHFFFAOYSA-N 302.136 1.398 10 10 DDCE C[C@@H]1CN(c2ccc(CO)cc2Br)CC[S@]1=O 2004531519 SHERCIOQCQMERW-VVVCHXIZSA-N 318.236 1.899 10 10 DDCE COc1ccc(N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(N)c1 1977910070 BRIDDLLTVUWULM-CYBMUJFWSA-N 317.311 1.925 10 10 DDCE CN(C)[C@@H]1CN(c2ccc(CO)cc2Br)C[C@H]1O 2029434777 LAVHBCPKXUTLSH-CHWSQXEVSA-N 315.211 1.053 10 10 DDCE CC1(C)C[C@@H](NCc2c(O)cccc2F)CCS1(=O)=O 2160783376 XMYPTQCRIGXBJZ-JTQLQIEISA-N 301.383 1.977 10 10 DDCE CC[C@]12CN3C[C@](C)(CN(C1)C3c1ccc(O)cc1O)[C@@H]2O 2059113419 NWWNKZNDIIUWIG-YNBOMUFVSA-N 304.390 1.505 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)[C@@]12CCC[C@@H]1CS(=O)(=O)C2 2201863129 PYAWJBHFSGPCJA-ZYHUDNBSSA-N 300.384 1.360 10 10 DDCE COc1cc(N(C)[C@@H](C)CCS(C)(=O)=O)ccc1CO 2204552606 DKVOOGXAPSBKIZ-NSHDSACASA-N 301.408 1.447 10 10 DDCE NCc1cc(F)c(N2CC[C@H](OCCCO)C2)cc1Cl 2207079040 VGOGNYARVJCXMH-NSHDSACASA-N 302.777 1.916 10 10 DDCE CO[C@H]1[C@H](CO)N(c2ccc(CN)c(Cl)c2)C[C@H]1OC 2233359118 YFLAOSYLBKTIEV-MJBXVCDLSA-N 300.786 1.010 10 10 DDCE CO[C@@H]1CC[C@@H]1CS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2239436582 NIOFAGFHYQZJAQ-IJLUTSLNSA-N 302.400 1.906 10 10 DDCE OCC1(O)CC(NCc2cc(Br)cc(F)c2O)C1 2256980855 UUSLJPIMZRKSMB-UHFFFAOYSA-N 320.158 1.269 10 10 DDCE CN[C@H]1CCCN(C(=O)NCc2cnc(SC)s2)C1 2269999064 DKRDQYFFVSZLDP-VIFPVBQESA-N 300.453 1.758 10 10 DDCE CSc1ncc(CNc2ncnc(NN)c2[N+](=O)[O-])s1 2284724774 QCFXQKVWDBERTG-UHFFFAOYSA-N 313.368 1.461 10 10 DDCE CNC(=O)[C@H]1CCCCN1C(=O)C=Cc1ccc(O)c(O)c1 2307989611 FQWASGDLEKOYTB-GFCCVEGCSA-N 304.346 1.238 10 10 DDCE Cc1ccc(CN[C@H]2COC[C@@H]2O)c(O)c1Br 2307475677 SPJUIGSREOKYPO-UWVGGRQHSA-N 302.168 1.312 10 10 DDCE O=C(O)C1(Sc2nccs2)C[C@@H]2CS(=O)(=O)C[C@H]2C1 2351874844 ODITXZIBSAPSTF-HTQZYQBOSA-N 319.429 1.513 10 10 DDCE CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1 21506588 SOPRMAZTAYXMFE-UHFFFAOYSA-N 304.371 1.854 10 10 DDCE CC(=O)N(C(=O)C(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccc(N)cc1 170318493 DBXNJTWMSVRSEZ-RYUDHWBXSA-N 317.389 1.653 10 10 DDCE COc1cc(CN2CC[C@](N)(C(=O)O)C2)ccc1N1CCCC1 67934764 URDDVXHCNMNPGR-QGZVFWFLSA-N 319.405 1.283 10 10 DDCE COCCNC(=O)Cn1cc(N[C@@H](C)c2ccccc2O)cn1 183711813 HUMDRDSQDVIEGB-LBPRGKRZSA-N 318.377 1.524 10 10 DDCE CCOc1ccc(O)c(CN2CCO[C@H](Cn3cccn3)C2)c1 122303166 MDTGCSOZNFCKDK-INIZCTEOSA-N 317.389 1.888 10 10 DDCE C[C@@H](NS(=O)(=O)CCOc1ccc(N)cc1)[C@@H]1CCCO1 70490612 LTCVQUCRQIXKOH-RISCZKNCSA-N 314.407 1.135 10 10 DDCE Cc1sc(NN(C)S(=O)(=O)C2CCC2)nc1CC(=O)O 2365270985 JRROKLDTXOXLCY-UHFFFAOYSA-N 319.408 1.220 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc([C@@H]2C[C@@H]2C(=O)O)cs1 2365283584 UCPIMISPSQQXRB-SFYZADRCSA-N 319.408 1.330 10 10 DDCE C[C@H]1CO[C@@H](CO)CN1c1ccc(CN)cc1Br 212904515 UXMOJWXPYJPZPA-GXSJLCMTSA-N 315.211 1.494 10 10 DDCE C[C@@H](NCC1(C(N)=O)CCOCC1)c1ccc(F)c(F)c1O 191201330 PGLIUEBFZVDABP-SECBINFHSA-N 314.332 1.603 10 10 DDCE C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)c1nccs1 80269680 WGYPKFGKAOEQCT-SCZZXKLOSA-N 307.375 1.302 10 10 DDCE CC[C@H]1CN(Cc2ccc(OC)cc2O)CCN1C[C@H](C)O 245801889 XYFYYNQFKUJYPO-ZFWWWQNUSA-N 308.422 1.678 10 10 DDCE CCN1CCN([C@@H](C(=O)O)c2ccc(N(C)C)cc2)C[C@H]1C 250257033 JELCTLVFCNQUQH-CZUORRHYSA-N 305.422 1.904 10 10 DDCE CC1(C)CN(Cc2cc3c(cc2O)OCO3)CCS1(=O)=O 268057667 BNBIALWBWIWNOT-UHFFFAOYSA-N 313.375 1.130 10 10 DDCE CN(C)c1ccc(CN2CCN(CC(F)(F)F)C(=O)C2)cc1 286601865 WOZVBJNQCULDMF-UHFFFAOYSA-N 315.339 1.959 10 10 DDCE C[C@@H]1CS(=O)(=O)CCN1Cc1cc(Cl)c(F)cc1O 295359012 NRHBANKLSTUGKS-MRVPVSSYSA-N 307.774 1.804 10 10 DDCE Cc1noc(C(=O)NCc2cc(Br)ccc2O)n1 804736491 VXNSKFAAWFGUJF-UHFFFAOYSA-N 312.123 1.776 10 10 DDCE COC(C)(C)CS(=O)(=O)NCc1ccc(N(C)C)cc1C 809817843 QECIWQCPTLCFST-UHFFFAOYSA-N 314.451 1.905 10 10 DDCE COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)OCC(=O)C(C)=O)c1 808539995 NMEKMHGZMCUEMJ-AAEUAGOBSA-N 306.314 1.509 10 10 DDCE O=S1(=O)CCCN1CCCNCc1ccc2c(c1)CCO2 729684107 LBXKJDZJTHXKMS-UHFFFAOYSA-N 310.419 1.137 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)CC[C@H](C)N)C2)cc1 831748632 IKLHKVXZSUSXOG-UONOGXRCSA-N 305.422 1.765 10 10 DDCE C[C@@H](O)C(=O)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835028022 IHDHCSQGNPIJOU-FOSCPCJNSA-N 317.433 1.291 10 10 DDCE Oc1ccc(I)cc1[C@H]1NCCC[C@H]1O 1952607920 MHZJYLILRWNEFD-GHMZBOCLSA-N 319.142 1.782 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2nnn(C(C)(C)C)n2)c1 830541176 UCEFFEWFJCXCLB-SECBINFHSA-N 319.365 1.633 10 10 DDCE C[C@@H]1C[C@@H](S(=O)(=O)NCc2c(O)cccc2F)CCO1 921452391 NMRZJHRNYIKIMP-ZJUUUORDSA-N 303.355 1.518 10 10 DDCE C[C@H]1CN(C(=N)NCc2ccc(N3CC=CC3)cc2)CCO1 849009743 HQXIUOYIGIYIRY-AWEZNQCLSA-N 300.406 1.808 10 10 DDCE Cc1ccc(C(=O)N2CCO[C@@](C)(C(F)F)C2)c(O)c1O 856499717 GUUBYISUJSETOG-CQSZACIVSA-N 301.289 1.902 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cn3ccc(C)n3)C2)cc1 855227298 UZDCQQQDENCQSE-CQSZACIVSA-N 314.389 1.595 10 10 DDCE C[C@@H](COC(=O)/C=C/c1ccc(O)c(O)c1)CS(C)(=O)=O 759590463 WYOUNVRJNMUTHX-RWCYGVJQSA-N 314.359 1.335 10 10 DDCE Cn1cc(C[C@H]2CCC[C@H]2NC(=O)c2cccc(O)c2O)cn1 855871386 XOZRRCPARSZHDI-TZMCWYRMSA-N 315.373 1.973 10 10 DDCE CC[C@H](NCCC(=O)NCCC(=O)OC)c1ccc(C)cc1O 858542774 XMSFVKWDEFSDTG-AWEZNQCLSA-N 322.405 1.811 10 10 DDCE C[C@H](NC[C@@]1(OCCO)CCOC1)c1cc(Cl)ccc1O 850508793 OHTOJJGOQGGTAP-NHYWBVRUSA-N 315.797 1.864 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]3CCC[C@H]32)cc1 1119712905 HILSRPUYABAPQO-FVQBIDKESA-N 315.417 1.674 10 10 DDCE CN1CCCC[C@@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)C1=O 870603318 LBKBGYCZRWTORA-BUUCAEBMSA-N 318.373 1.580 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)COc1ccccc1 1137400318 RNPRUXZBAIFRQG-ZDUSSCGKSA-N 317.341 1.196 10 10 DDCE Cc1ncc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)s1 775286283 MAMBQWOFOHTMOF-UHFFFAOYSA-N 315.332 1.866 10 10 DDCE CCN(C)c1ccc(CN2CCn3c(CO)nnc3C2)cc1 1167942701 CNVJZDMCTSVVBB-UHFFFAOYSA-N 301.394 1.242 10 10 DDCE CC(C)c1nc([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)n[nH]1 1447308914 UHPVRXFNVJGVRX-SECBINFHSA-N 304.350 1.759 10 10 DDCE CCCN(CC(=O)N(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 1442038067 YUDHRPXNNUFETH-UHFFFAOYSA-N 319.365 1.789 10 10 DDCE CC(=O)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)CCC1(F)F 1919243406 FJRXTWJXMGXRRJ-CYBMUJFWSA-N 321.320 1.542 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCC[C@@]2(O)CCOC2)cc1 1557351222 BIQPOFXFYHRFCD-CQSZACIVSA-N 306.322 1.120 10 10 DDCE CC(C)OC[C@@H](CO)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1638613571 FAGOELFDONSGGX-CYBMUJFWSA-N 322.365 1.707 10 10 DDCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCOC1 1732765982 SKGNNGULNKGTHA-MRXNPFEDSA-N 320.433 1.978 10 10 DDCE CCOC(=O)c1noc(CN[C@H](C)c2cc(OC)ccc2O)n1 1645097346 RRCJFEALIRQTND-SECBINFHSA-N 321.333 1.811 10 10 DDCE C[S@@](=O)Cc1cccc(C(=O)NCc2cc(O)ccc2O)c1 1651222453 GITRQQJSGXPVMW-JOCHJYFZSA-N 319.382 1.906 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1sccc1-n1cnnn1 1593868814 QBYHAZIFLJCMEW-UHFFFAOYSA-N 317.330 1.065 10 10 DDCE C[C@@H](C(=O)NCc1c(O)cccc1O)n1nnnc1C(C)(C)C 1597574144 IMIGUMYJYHOGLY-VIFPVBQESA-N 319.365 1.259 10 10 DDCE Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCc1ccc(N)cc1 152508069 IVWBGCSRZOQSIT-UHFFFAOYSA-N 312.329 1.379 10 10 DDCE COC(=O)COc1cccnc1NC(=O)Oc1ccc(N)cc1 1858687052 PAZFXXSSPILFOQ-UHFFFAOYSA-N 317.301 1.827 10 10 DDCE COc1ccc(C(N)=O)cc1S(=O)(=O)Nc1ccc(O)cc1 1871337134 CLEYRKORFMIKKA-UHFFFAOYSA-N 322.342 1.301 10 10 DDCE CCN(CC)c1ccc(CNCC(=O)N2CCCNCC2)cc1 1857866665 WECUNYWCISVESE-UHFFFAOYSA-N 318.465 1.444 10 10 DDCE NCc1ccc(N2C[C@H]3COC[C@@H]32)c(F)c1Br 2013472517 BBZKMWHKWQNEPJ-WPRPVWTQSA-N 301.159 1.882 10 10 DDCE CN(Cc1cc(Br)cc(F)c1O)[C@H]1[C@@H]2CNC[C@@H]21 2032585867 DIFSQRHQWKXNQR-IAZYJMLFSA-N 315.186 1.943 10 10 DDCE N[C@@H]1CN(Cc2ccc(Br)cc2O)[C@@H]2COC[C@H]12 2040554396 MIRUFBRCPYDBDC-IJLUTSLNSA-N 313.195 1.313 10 10 DDCE C[C@](O)(CO)CNCc1cc(Br)cc(F)c1O 715789858 SBGNATNBOKFCQP-LLVKDONJSA-N 308.147 1.127 10 10 DDCE CN(C)C[C@H]1C[C@H](O)CN1c1cc(Cl)c(CN)cc1F 2177376514 GCZFEFPVKKKJMY-MNOVXSKESA-N 301.793 1.439 10 10 DDCE O=C(Nc1cc(Br)ncn1)c1cccc(O)c1O 2043850493 RBWIRXSELBQMMA-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@@H]3[C@@H]2CO)cc1Br 2078274998 UKGJUUSTTAORAI-JKOKRWQUSA-N 311.223 1.986 10 10 DDCE OCc1ccc(N2C[C@H](O)C[C@@H](F)C2)cc1Br 2213903871 MYYWCODWOBLNQH-MWLCHTKSSA-N 304.159 1.851 10 10 DDCE Cc1cc([C@@H](C)O)ccc1N1CC(S(=O)(=O)C(F)F)C1 2240844339 OJNKMLWCTNUKNG-SECBINFHSA-N 305.346 1.874 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2ccc(O)nc2)s1 2269274077 WPJUPVKNAKLGKF-UHFFFAOYSA-N 317.417 1.444 10 10 DDCE CNC(=O)[C@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc2O1 491116170 BRNQCXFQMADFOS-LQYUOIDQSA-N 324.340 1.030 10 10 DDCE CC(C)[C@H](NC(N)=O)C(=O)NCc1ccc2c(c1)CCCN2C 57558778 FOYZMLXLFRULLX-HNNXBMFYSA-N 318.421 1.378 10 10 DDCE Cc1nn(C(=O)[C@@H](C)Cc2ccc(O)c(O)c2)c(C)c1CN 170033466 IJNUADVMELJNDC-VIFPVBQESA-N 303.362 1.889 10 10 DDCE C[C@H](O)[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 301755945 DINNTMXDJHVXJZ-VHSXEESVSA-N 321.333 1.523 10 10 DDCE O=C(O)/C=C\c1cc(F)c(N2CCS(=O)CC2)c(F)c1 213596325 PUPOPVYRWVZYTM-UPHRSURJSA-N 301.314 1.631 10 10 DDCE NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1C(F)(F)F 37306595 PEQOMHFUEFNKCE-JTQLQIEISA-N 301.312 1.866 10 10 DDCE Cc1nc(S(=O)(=O)Nc2ccc(O)c(N)c2)c(Cl)n1C 2364208829 MJBICROUXAGZPV-UHFFFAOYSA-N 316.770 1.471 10 10 DDCE O=C(N1CCOCC1)N1CCc2cc(N3CCOCC3)ccc21 41122086 CUKJCTQLVZLXOA-UHFFFAOYSA-N 317.389 1.338 10 10 DDCE CCNCc1ccc(N(C)CC(N)=O)c(Br)c1 233509299 FWWRBWAQJSJHBQ-UHFFFAOYSA-N 300.200 1.480 10 10 DDCE CN(C)c1c[nH]ccc1=NC(=O)NCCc1ccc(O)c(O)c1 801927285 LVSHMRZTOZXEOY-UHFFFAOYSA-N 316.361 1.345 10 10 DDCE CCN(CC)CCS(=O)(=O)NCc1cc(OC)ccc1O 810050629 JLKMWGCTFGGGNS-UHFFFAOYSA-N 316.423 1.162 10 10 DDCE COc1cc(O)c(CNCCc2cncc(C)n2)cc1OC 827384599 UZCAMQOIZSUGEP-UHFFFAOYSA-N 303.362 1.840 10 10 DDCE COC(=O)[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 835028358 QIZLPADYSYKVIN-YIEVGGLXSA-N 304.390 1.640 10 10 DDCE COc1ccc(O)c(CNC(=O)CC2CCN(OC)CC2)c1 830545075 WHGUDCPKMUXZKP-UHFFFAOYSA-N 308.378 1.681 10 10 DDCE CN(C/C=C/c1ccc(N(C)C)cc1)CC(=O)N1CCOCC1 835026615 YVIHOZMNJKFSLO-SNAWJCMRSA-N 317.433 1.556 10 10 DDCE Cc1cc(Br)c(O)c(CN[C@H]2C[C@@H](C(N)=O)C2)c1 846046339 GAOXYSSUZRAGNI-WAAGHKOSSA-N 313.195 1.817 10 10 DDCE C[C@@H](NC(=O)NC/C=C/CN)c1ccc(N2CCOCC2)cc1 841739482 ALZIHBZUJKPEKE-BAABZTOOSA-N 318.421 1.398 10 10 DDCE C[C@@H]1CN(C)C[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 756100694 MTPPYJSNHCEAKM-CJNGLKHVSA-N 307.413 1.702 10 10 DDCE CNCCCC(=O)N1CCC(NCc2cc(C)ccc2O)CC1 853247708 YMSKCTWXANWQIM-UHFFFAOYSA-N 319.449 1.781 10 10 DDCE CCN(OC)C(=O)CNCc1cc(F)c(N(C)C)cc1F 858182161 IXIIIPBFXRATAQ-UHFFFAOYSA-N 301.337 1.530 10 10 DDCE COc1ccc(O)c([C@H](C)NS(=O)(=O)N(C)C2CC2)c1 751316753 ATGQFGKTDQWXES-VIFPVBQESA-N 300.380 1.390 10 10 DDCE CCc1noc(C[C@@]2(O)CCCN(Cc3ccccc3O)C2)n1 856594436 ZNXPSAVTCBNCIG-KRWDZBQOSA-N 317.389 1.907 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N(C)C3CC(O)C3)C2)cc1 854299801 ROOPWZLWQJIWRQ-LRVUVFPRSA-N 319.405 1.439 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](C)OC)C2)cc1 852450918 ZLJXTHDBZHIJIV-OLZOCXBDSA-N 307.394 1.608 10 10 DDCE NS(=O)(=O)C[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 769383775 ISFATYKYKMLMMH-SNVBAGLBSA-N 318.826 1.546 10 10 DDCE CCOc1cccc(CNC[C@]23COCCN2C(=O)OC3)c1O 865769302 WAPGCMUXBPHQEW-MRXNPFEDSA-N 322.361 1.102 10 10 DDCE CN(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(N)cc1 863556751 DLBUAUATXASOJH-HZPDHXFCSA-N 303.406 1.875 10 10 DDCE O=C1CC[C@]2(C(=O)N3Cc4cccc(O)c4C3)SCCN12 871198596 KEDWJRFITFGKRC-OAHLLOKOSA-N 304.371 1.300 10 10 DDCE Cc1ccc(C(=O)N2CCO[C@@H](C(F)F)CC2)c(O)c1O 870646354 WHBRUBQOHDKNDU-SNVBAGLBSA-N 301.289 1.902 10 10 DDCE C[C@H]1CN2CCN1C[C@H]2C(=O)NCc1cccc(Cl)c1O 1124069892 FWALTKBEFLEJDK-GWCFXTLKSA-N 309.797 1.050 10 10 DDCE CO[C@@H]1COC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 898087307 ZGMMUKRIUCAFTJ-LDYMZIIASA-N 309.343 1.456 10 10 DDCE CC(C)(C)[C@H](O)C[C@@H](CO)NCc1cc2c(cc1O)OCO2 790619171 NHLKNTLDLLVGIP-XHDPSFHLSA-N 311.378 1.369 10 10 DDCE Oc1c(F)cc(Br)cc1CNCCc1nn[nH]n1 715744503 DWQNCFPQUHMHIN-UHFFFAOYSA-N 316.134 1.139 10 10 DDCE COc1ccc(CNC[C@H](C)N(C)C(=O)[C@H](C)OC)cc1C 1268056585 XJSWMZYIUIEFOF-KBPBESRZSA-N 308.422 1.975 10 10 DDCE CCC[C@H](C)N1C[C@@H](C(=O)NCc2cccc(O)c2O)CC1=O 1528770591 AUHILRDVSVWRNA-AAEUAGOBSA-N 320.389 1.751 10 10 DDCE COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1CO 1622768775 GAFBUQYXMBTZEV-UHFFFAOYSA-N 303.314 1.780 10 10 DDCE COC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1ccsc1 1633608298 UURXCAYCQKMHKW-LLVKDONJSA-N 307.327 1.803 10 10 DDCE O=C1O[C@@H](C(=O)NCc2cccc(O)c2O)Cc2ccccc21 1633508715 PBYPLGOEAYVWLI-CQSZACIVSA-N 313.309 1.496 10 10 DDCE C[C@@H](N)c1ccc(N2CCS(=O)(=O)C[C@H]2C)c(Cl)c1 228762484 XHOYXGUZCYFIJH-NXEZZACHSA-N 302.827 1.983 10 10 DDCE COc1cccc(CNC(=O)[C@@H](c2cncn2C)N(C)C)c1O 1630365820 DXRZRSAGIFBVKP-CQSZACIVSA-N 318.377 1.053 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@@H]2CC(c3ccccn3)=NO2)c1 1633287147 WKHCNXNUBYKRAL-INIZCTEOSA-N 311.341 1.905 10 10 DDCE COc1ccc(OC)c(CC(=O)NCc2cccc(O)c2O)c1 1593739347 LPGAYUZNWQXLED-UHFFFAOYSA-N 317.341 1.974 10 10 DDCE CCOc1cccc(CNCC(=O)Nc2nnc(C)s2)c1O 1857854268 RWHRMLQZRQVWLY-UHFFFAOYSA-N 322.390 1.679 10 10 DDCE C[C@H](CNC(=O)c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1962353387 OGFWHJVMRMEMSN-SECBINFHSA-N 310.350 1.741 10 10 DDCE COC[C@H](CO)NCc1c(Br)ccc(OC)c1O 1964047275 CDDLIZMISXZNCT-QMMMGPOBSA-N 320.183 1.260 10 10 DDCE COC(=O)[C@@H](C)NCc1c(Br)ccc(OC)c1O 1964557520 FFCRXADCFHFRPW-SSDOTTSWSA-N 318.167 1.814 10 10 DDCE O=S1(=O)CC[C@H]1CNCc1cc(Cl)cc(Cl)c1O 1972328445 HJJXMQWEZWHGIS-VIFPVBQESA-N 310.202 1.976 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2155551568 LIJYAROXNROPCY-MRVPVSSYSA-N 318.790 1.927 10 10 DDCE COCC1(NCc2cccc(Br)c2O)COC1 2015355197 ZKXXCUUJDDEQAA-UHFFFAOYSA-N 302.168 1.660 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@@H](C)CO 2157788904 SQGPODKSWNKRRD-LBPRGKRZSA-N 300.424 1.285 10 10 DDCE O=S1(=O)CCCCN1CCNCc1cccc(F)c1O 405436963 GHHAQIOTDDFGAH-UHFFFAOYSA-N 302.371 1.047 10 10 DDCE CN1CCN(c2ccc(CO)c(Br)c2)CCC1=O 701458204 REWUFUULQPFYBP-UHFFFAOYSA-N 313.195 1.610 10 10 DDCE CN(C)C(=O)NCCNCc1c(O)cccc1Br 706829307 VYVRMZBVKXFLAU-UHFFFAOYSA-N 316.199 1.516 10 10 DDCE CNCc1ccc(N(C)CCC(N)=O)cc1Br 382062524 GGYKQWKCGNPOKY-UHFFFAOYSA-N 300.200 1.480 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)CCOc1ccc(N)cc1 2170556612 OYMPQWPJEGZVOB-GFCCVEGCSA-N 300.424 1.403 10 10 DDCE CC(C)(C)OC(=O)N1CCC=C[C@@]1(C)COc1nnc(=N)[nH]n1 2242666479 NPWZAODAIJLCRR-AWEZNQCLSA-N 322.369 1.014 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2cncc(N)c2)s1 2269091902 BMKAHRRPZWNASS-UHFFFAOYSA-N 316.433 1.321 10 10 DDCE CO[C@H](C)CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(N)cc1 2283826229 MLVYKOZRWCKMLO-ZJUUUORDSA-N 300.380 1.046 10 10 DDCE COc1ccc(Br)c(CN(C)C[C@H](C)N)c1O 1236899601 MVBKBQCHAZEVHC-QMMMGPOBSA-N 303.200 1.942 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCOC[C@@H]2C)s1 2345461592 QQRPNZOEVVYESW-QPUJVOFHSA-N 302.421 1.834 10 10 DDCE O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cccc(O)c1O 188459449 DJTFTCNDSHYFRM-CYBMUJFWSA-N 312.325 1.633 10 10 DDCE CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1 127465730 ZVXPKVQRMOANKU-AWEZNQCLSA-N 304.394 1.173 10 10 DDCE COc1ccc(N2CCN(C(=O)Cc3ocnc3C)CC2)cc1 74645607 DBEKABGHNWNZPB-UHFFFAOYSA-N 315.373 1.883 10 10 DDCE CN1CC[C@@H](CN(C)c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 221201155 TXKTXAPQCRXTJA-YMTOWFKASA-N 308.813 1.680 10 10 DDCE C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1ccc(N)cc1 41027125 XWVCIIMNECHDJA-ZETCQYMHSA-N 305.363 1.054 10 10 DDCE C[C@@H]1COCCN1CCN1CCOc2cc(N(C)C)ccc21 192772346 UKFVFDQYUGQWAE-CQSZACIVSA-N 305.422 1.672 10 10 DDCE CSc1ncc(CNS(=O)(=O)CC(C)(C)C(=O)O)s1 2274316010 XSRPFWFIPQTKPO-UHFFFAOYSA-N 324.449 1.395 10 10 DDCE COC(=O)CN(CC(=O)OC)Cc1cc2c(cc1O)CCC2 728561334 TTWLWLCDMYDSBG-UHFFFAOYSA-N 307.346 1.029 10 10 DDCE CN1CCN(Cc2cc(Br)ccc2O)CCC1=O 827359086 IFEIXENVAGTIOU-UHFFFAOYSA-N 313.195 1.819 10 10 DDCE CC1(C)COC(=O)[C@H]1n1cc(COc2ccc(N)cc2)nn1 905065474 RARGXEPBFLWNRD-CYBMUJFWSA-N 302.334 1.563 10 10 DDCE COc1cc(O)c(CNC[C@@H]2CNCCC2(F)F)cc1OC 903955653 YGDKTTOQWCBGTK-NSHDSACASA-N 316.348 1.744 10 10 DDCE CN1CCN(c2ccc(CN3CCC[C@]3(C)C(=O)O)cc2)CC1 902008242 XVQHPZKUHQIBNJ-GOSISDBHSA-N 317.433 1.878 10 10 DDCE COc1ccc(N2CC[C@H](NS(=O)(=O)NC(C)C)C2)cc1 849416299 OGZKCHBUWYEVCM-LBPRGKRZSA-N 313.423 1.106 10 10 DDCE CN1CCN(c2ccc(CN3CCNC[C@H]3C(F)F)cc2)CC1 843124988 VGJFGMUWQALWHU-INIZCTEOSA-N 324.419 1.477 10 10 DDCE C[C@H]1C(=O)CCCN1CC(=O)NCc1ccc(N(C)C)cc1 932856468 VJSBTWMWHDNMED-ZDUSSCGKSA-N 303.406 1.422 10 10 DDCE CC[C@]1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCCN1 852901022 YJPSAJWHAWFFBG-RDTXWAMCSA-N 317.433 1.922 10 10 DDCE COC(=O)[C@@](C)(NCc1ccc(N2CCOCC2)cc1)C1CC1 930152564 QFBYFTYHRJARQA-SFHVURJKSA-N 318.417 1.955 10 10 DDCE O=S(=O)(CCC[C@H]1CCOC1)N1Cc2cccc(O)c2C1 867691051 QFOLUNLCPMPPFT-LBPRGKRZSA-N 311.403 1.854 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H](O)C2CCOCC2)c1 761971693 AQFAOTZTLYVIJT-MEBBXXQBSA-N 309.362 1.366 10 10 DDCE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 871199609 ZQCDIBMHMABHSL-ZDUSSCGKSA-N 324.402 1.049 10 10 DDCE CN(C)c1ccc(CNC[C@@H](O)C[C@@](C)(O)C2CC2)cc1F 872200252 YDTDJQSYHUQHMC-WMLDXEAASA-N 310.413 1.893 10 10 DDCE O=C(C(=O)N1CC[C@@H](C2CCC2)C1)N1Cc2cccc(O)c2C1 1118955458 NKAYZTGHZBQTDH-CYBMUJFWSA-N 314.385 1.883 10 10 DDCE CCN(CC)c1ccc(CNCCc2nnnn2C)cc1F 771872133 DFNPEGMWBFRGDC-UHFFFAOYSA-N 306.389 1.528 10 10 DDCE C[C@@H](NC(=O)[C@@H](O)Cc1cnn(C)c1)c1ccc(N(C)C)cc1 787300601 RCMXOQXFNRCTAQ-WBMJQRKESA-N 316.405 1.267 10 10 DDCE CN(Cc1ccc(Br)cc1O)C1CS(=O)(=O)C1 895400192 YFJVHHIPWGGOQT-UHFFFAOYSA-N 320.208 1.384 10 10 DDCE Cc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1 795346814 DPLKKJNIHMREHN-UHFFFAOYSA-N 309.303 1.805 10 10 DDCE C[C@@H](C(N)=O)N(C)Cc1cc(Br)cc(F)c1O 715786717 SKOIDCVWRXRFFQ-LURJTMIESA-N 305.147 1.599 10 10 DDCE COCC(=O)NC[C@H](NCc1ccc(OC)c(C)c1)C(C)C 1268205738 OIZYFFUABBXTLK-HNNXBMFYSA-N 308.422 1.880 10 10 DDCE C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)Cc1ccc(O)c(O)c1 1467908722 WWJBEEFOZDIZLG-PRHODGIISA-N 319.279 1.819 10 10 DDCE COc1ccc(CC(=O)NCc2cc(O)ccc2O)cc1OC 1637122318 DEOCHFBIGXQJKC-UHFFFAOYSA-N 317.341 1.974 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](CO)c1cccnc1 1639448454 UGMZUQUCPIUEOT-BPJJOFIESA-N 300.314 1.356 10 10 DDCE NC(=O)N1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 1585222702 PGWVDLKKCQWTAJ-MRVPVSSYSA-N 321.358 1.195 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CC[C@H](c3nn[nH]n3)C2)c1O 1655439575 OHUJZPCHOIRSEP-VIFPVBQESA-N 321.768 1.751 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](c1ncon1)C1CC1 1596960017 LBPXMEVHBNBWJJ-HSVJCBRXSA-N 301.302 1.762 10 10 DDCE COc1ccc(CNC(=O)NCc2cccnc2O)c(O)c1 1684331400 MVBLQCDWLOYVTO-UHFFFAOYSA-N 303.318 1.501 10 10 DDCE Cc1cccc(O)c1CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1985826532 ANFIGPIWRNKMBA-ZFWWWQNUSA-N 322.405 1.770 10 10 DDCE CN(C)[C@@H]1CN(c2ccc(CO)c(Br)c2)C[C@H]1O 2029434133 JJHJLUXCECAOJA-CHWSQXEVSA-N 315.211 1.053 10 10 DDCE COc1ncc(S(=O)(=O)Nc2ccc(O)cc2N)s1 311922049 GUFBUTPRMKZOOW-UHFFFAOYSA-N 301.349 1.240 10 10 DDCE C[C@@H](CCS(C)(=O)=O)N(C)c1ccc([C@@H](C)N)c(O)c1 2160762451 HMGONCSZEHFKRT-WDEREUQCSA-N 300.424 1.671 10 10 DDCE O=C1Nc2cc(N3CC[C@H](F)C3)c(Br)cc2[C@H]1O 701676247 XQUUSPRFUYTJTH-UPONEAKYSA-N 315.142 1.983 10 10 DDCE O=C1CC[C@H](NCc2c(O)cccc2Br)C(=O)N1 706852090 NPOWWFFOVCXGRA-VIFPVBQESA-N 313.151 1.050 10 10 DDCE C[C@]1(CO)C[C@H](O)CN1c1ccc(CO)c(Br)c1 698152605 QVHWRXHXSPDHSJ-WCQYABFASA-N 316.195 1.263 10 10 DDCE Nc1nnc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)s1 722222151 AYKFZJZLLAUSTA-UHFFFAOYSA-N 306.756 1.280 10 10 DDCE COC[C@@]1(O)CCCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1 2060428563 OMQDWOBHUBIGIL-QGZVFWFLSA-N 321.373 1.501 10 10 DDCE COCCNC(=O)CN(C)c1cc(Cl)c(CN)cc1F 2177376561 GTEGFTKNSDIPRQ-UHFFFAOYSA-N 303.765 1.137 10 10 DDCE COCCNCc1ccc(N2CC([S@@](C)=O)C2)c(Cl)c1 2171950129 CFKOFESUQFRECN-HXUWFJFHSA-N 316.854 1.643 10 10 DDCE N[C@H]1CCN(Cc2c(O)cccc2Br)C[C@@H]1CO 2058550347 YLVIBUPGWHLSIX-SKDRFNHKSA-N 315.211 1.296 10 10 DDCE [N-]=[N+]=NC1CCN(C(=O)NC2CCS(=O)(=O)CC2)CC1 2197934330 XCCNFCWYXWYJKA-UHFFFAOYSA-N 301.372 1.048 10 10 DDCE COc1ccc(Br)c(CN2CC[C@H]2C(=O)O)c1O 2220455516 FDSXZOCLODHJOV-VIFPVBQESA-N 316.151 1.822 10 10 DDCE CSc1ncc(CNS(=O)(=O)CCNC2CC2)s1 2257098364 WSXMWSSMVXDVAA-UHFFFAOYSA-N 307.466 1.036 10 10 DDCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccco3)C2=O)cc1 2296751844 CBBOMGLQZQJTMC-UHFFFAOYSA-N 312.281 1.955 10 10 DDCE COc1ccccc1C=C1SC(=S)N(NC(C)=O)C1=O 2314717664 KUQKCFMOHXDZFR-UHFFFAOYSA-N 308.384 1.948 10 10 DDCE N[C@H]1CC[C@@H]1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2316347980 JJRMIIVGGZYWNN-IUCAKERBSA-N 311.190 1.930 10 10 DDCE C=CC(=O)NCCC(=O)NCc1ccc(N(CC)CC)cc1 178474238 YRYHRARAHYOTMC-UHFFFAOYSA-N 303.406 1.841 10 10 DDCE Cc1cccc(CNS(=O)(=O)CCCCCCN)c1O 2364173850 SFVZPGQWYMMSCO-UHFFFAOYSA-N 300.424 1.639 10 10 DDCE CN(CCn1cccn1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 130657416 WRSCWYFMAVFROC-UHFFFAOYSA-N 317.305 1.259 10 10 DDCE CNC(=O)CN(C)[C@H](C)c1cc(Br)ccc1O 132113334 NTJVARNNMPZPPX-MRVPVSSYSA-N 301.184 1.894 10 10 DDCE CCCOc1ccc(CNCc2nc(N(C)C)no2)c(O)c1 191897439 WVXQJWVRBSZXMN-UHFFFAOYSA-N 306.366 1.920 10 10 DDCE NC(=O)C1(CNCc2cc(Cl)c(F)cc2O)CCOCC1 294431487 XITRFRGXTIHBOY-UHFFFAOYSA-N 316.760 1.556 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 814483698 QBBRDPHBSQOPPW-UHFFFAOYSA-N 312.253 1.115 10 10 DDCE O=C(CCOC1CNC1)NCc1ccc(N2CCCC2)cc1 827005933 ZUAPTCAVYORADG-UHFFFAOYSA-N 303.406 1.282 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCC[C@H]2CS(N)(=O)=O)cc1 835029540 RMZWIUICEYJMCV-WMHVBEDNSA-N 323.462 1.519 10 10 DDCE COc1cc(Br)cc([C@H]2CNCCN2C)c1O 1952323351 LBWUYECYDXGGJR-SNVBAGLBSA-N 301.184 1.739 10 10 DDCE C[C@H]1[C@@H](N)CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 841730456 QXOWFVGSXALXED-BBRMVZONSA-N 318.421 1.154 10 10 DDCE CC(C)(C(=O)O)C(=O)NCc1ccc(N2CCSCC2)cc1 844251991 DDZDSUKBEACFSL-UHFFFAOYSA-N 322.430 1.967 10 10 DDCE COC(=O)[C@@H]1C[C@H](O)CN(C/C=C/c2ccc(N(C)C)cc2)C1 843433741 IZTUFWACQIWMHS-LUJIMGINSA-N 318.417 1.622 10 10 DDCE CCOc1ccc(O)c(CNC[C@]2(OCCO)CCOC2)c1 850358089 GJAFNRVIKYPTQJ-MRXNPFEDSA-N 311.378 1.049 10 10 DDCE CNC(=O)COC(=O)Cc1cc(C)n(-c2ccccc2)c1C 853105545 SZROAYWIUFHCTB-UHFFFAOYSA-N 300.358 1.926 10 10 DDCE COC[C@H](CN(C)Cc1ccc(N2CCOCC2)cc1)OC 851717085 HNJCKVHKYCMSIO-KRWDZBQOSA-N 308.422 1.616 10 10 DDCE C[C@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@@H](C(N)=O)O1 863288637 SOVRWSSLQJQRNJ-ZBEGNZNMSA-N 304.390 1.346 10 10 DDCE Cn1nnnc1CCNCc1cccc(Br)c1O 771874550 CAHVIZFICWUESN-UHFFFAOYSA-N 312.171 1.011 10 10 DDCE C[C@@](CO)(NC(=O)c1cc(O)cs1)c1cccc([N+](=O)[O-])c1 1151595889 MUDCEPBNOMHKFN-AWEZNQCLSA-N 322.342 1.999 10 10 DDCE Cn1cc(C(C)(C)NC(=O)/C=C\c2ccc(O)c(O)c2)nn1 1162941992 CNOVCRLADOQTRQ-ALCCZGGFSA-N 302.334 1.291 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H](CCF)C1 1328151043 WHVNPQZAKMVQOL-CYBMUJFWSA-N 322.380 1.949 10 10 DDCE COCCOCCn1c(C)nnc1N(C)Cc1ccccc1O 1505047350 HHLQETSXXLRJQQ-UHFFFAOYSA-N 320.393 1.592 10 10 DDCE COC(=O)C12CCC(C(=O)NCc3cccc(O)c3O)(CC1)C2 1350299571 DVQBSVLWKIDQMA-UHFFFAOYSA-N 319.357 1.838 10 10 DDCE COCCOC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1293316353 ACIFWGVFCDDXRN-UHFFFAOYSA-N 309.362 1.294 10 10 DDCE Cn1nc(-c2ccncc2)cc1C(=O)NCc1ccc(O)cc1O 1469160238 DDYKESFYQYLLFI-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE CN(C)[C@@H]1COC[C@H]1Nc1c(N)cccc1Br 1922027090 GXGAVTVLFPCWAP-GHMZBOCLSA-N 300.200 1.772 10 10 DDCE COCCOc1cc(C(=O)NCc2ccc(O)cc2O)ccn1 1639444577 QCZDRTBFQGGFKL-UHFFFAOYSA-N 318.329 1.448 10 10 DDCE COc1ccc(N2CCN(C(=O)Cc3cncn3C)CC2)cc1 1630080920 CVSGCGNBIGPGFD-UHFFFAOYSA-N 314.389 1.320 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](c2cc(O)n[nH]2)C1 1639641286 YGOGJIKYXJPJAX-SNVBAGLBSA-N 303.318 1.085 10 10 DDCE CNCc1ccc(N2CCO[C@@H](CO)C2)c(C(F)(F)F)c1 163733410 POCYYMYDGTXOSR-LLVKDONJSA-N 304.312 1.622 10 10 DDCE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(O)c(O)c2)C1 1962353598 UQSTYVSVEOYNDC-UHFFFAOYSA-N 308.334 1.447 10 10 DDCE COc1cc(Cl)cc(CN[C@H](C)C2CS(=O)(=O)C2)c1O 1967840307 MGCNOQRXRAQPCP-MRVPVSSYSA-N 319.810 1.577 10 10 DDCE OCc1ccc(N2C[C@H](CO)C[C@H]2CO)cc1Br 2029383581 FYMMXZVQTQPCPS-SKDRFNHKSA-N 316.195 1.121 10 10 DDCE CNCc1ccc(N2C[C@H](O)C(F)(F)C2)c(Br)c1 2034605377 ZOUJMBDTVCEBFQ-NSHDSACASA-N 321.165 1.985 10 10 DDCE COc1cc(Cl)cc(CNCC[C@]2(O)CCOC2)c1O 404176814 HYCSZCVRRWNSSK-AWEZNQCLSA-N 301.770 1.685 10 10 DDCE C[C@@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)CCS1 379534328 UODXAIZNWLDWDE-LLVKDONJSA-N 300.449 1.926 10 10 DDCE C[C@H]1CN(c2ccc([C@@H](C)N)cc2Br)CC(=O)N1 387271279 MCUQPTVUHFIMNY-DTWKUNHWSA-N 312.211 1.794 10 10 DDCE Cc1cn2c(n1)CC[C@H](C(=O)NCc1cccc(O)c1O)C2 2064594049 LRCVGVRUZCADAP-LBPRGKRZSA-N 301.346 1.482 10 10 DDCE Cc1ccc(CNC[C@H]2CNC(=O)O2)c(O)c1Br 2327799191 RKMNXRSQXXVOBH-VIFPVBQESA-N 315.167 1.661 10 10 DDCE CC(C)[C@H](NC(N)=O)C(=O)NCc1ccc(N(C)C)c(F)c1 57557968 QGEUOVGFAUYFQS-ZDUSSCGKSA-N 310.373 1.201 10 10 DDCE CO[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[C@@H]1C 302536224 GMUVKJBYCLJGDY-XPTSAGLGSA-N 321.333 1.787 10 10 DDCE CCNC(=O)N1CC[C@@H](NC(=O)N(C)Cc2ccccc2O)C1 120537083 BNBLCBKXYZZBID-CYBMUJFWSA-N 320.393 1.337 10 10 DDCE COc1ccc(OC)c([C@@H]2N[C@H](C(=O)O)C(C)(C)S2)c1O 83237001 AWWUHEQRGPWVNR-VXGBXAGGSA-N 313.375 1.976 10 10 DDCE CCS(=O)(=O)Nc1cc(N2CCOCC2)ccc1OC 41365198 KDKYTNFWVFXUGI-UHFFFAOYSA-N 300.380 1.293 10 10 DDCE O=S(=O)(CC(F)(F)F)N1CCc2cc(O)c(O)cc2C1 2366840706 AJMDYDNNPVLURD-UHFFFAOYSA-N 311.281 1.348 10 10 DDCE NC(=O)c1cncc(NCc2cc(Br)ccc2O)n1 804828082 HLNTWRHGNMUWEQ-UHFFFAOYSA-N 323.150 1.656 10 10 DDCE CN1CCN(c2ccc(CN3CCC(=O)N(C)CC3)cc2)CC1 827359461 OGDLRNYTHDHLOZ-UHFFFAOYSA-N 316.449 1.103 10 10 DDCE O=[N+]([O-])c1cc(NS(=O)(=O)N2C[C@H]3CC[C@H]2C3)ccc1O 821197597 FHTBOGFHZXXYGJ-WPRPVWTQSA-N 313.335 1.441 10 10 DDCE COc1cccc(CNC(=O)N[C@H](C)c2nccn2C)c1O 823800048 ZDXQEYJCVYGNEZ-SNVBAGLBSA-N 304.350 1.695 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](O)C(F)(F)C2)c1O 826958847 URTDNUGWVDFTOU-SNVBAGLBSA-N 318.276 1.511 10 10 DDCE CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccc2cccnc2c1O 823182777 YKWKWWFVKVGPOP-CHWSQXEVSA-N 314.341 1.756 10 10 DDCE COc1ccc(O)c(CNC(=O)Cc2ccnc(OC)c2)c1 830545045 WAFQCHDTTNVNDZ-UHFFFAOYSA-N 302.330 1.663 10 10 DDCE COc1ccc(N2CCC(NCC[C@@]3(O)CCOC3)CC2)cc1 846048311 FZINLHREQGHSCT-GOSISDBHSA-N 320.433 1.795 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)N[C@@H](CF)C1=O 842264960 OXBMFHYUKKNTSD-RISCZKNCSA-N 307.369 1.882 10 10 DDCE O=C1N[C@@H](C(=O)NCCCSc2nccs2)CS1 746021522 HCJVTWGETKAJID-SSDOTTSWSA-N 303.434 1.567 10 10 DDCE CN(C)c1ccc(CNC(=O)C(C)(C)n2cc(N)cn2)cc1F 851627662 SORRFFNFKAANDM-UHFFFAOYSA-N 319.384 1.722 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CC[C@@H]3CCNC3)C2)cc1 852843995 MHYODIDHOSANDM-CABCVRRESA-N 317.433 1.780 10 10 DDCE CCC1(CC(=O)NCc2ccc(N3CCOCC3)cc2)COC1 930522766 IVTKULTXMSWDFT-UHFFFAOYSA-N 318.417 1.956 10 10 DDCE COC[C@@](C)(CO)NC(=O)c1cc(C)n(-c2ccccn2)c1C 768456423 NWVCOOGOQJUCNN-QGZVFWFLSA-N 317.389 1.616 10 10 DDCE CCOC(=O)C1=CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 862879190 RITSVMJYAHMGNQ-GBVBUYCNSA-N 317.341 1.879 10 10 DDCE CCN(CC(=O)N(C)C)Cc1ccc(N2CCOCC2)cc1 768308146 OAAZCTVWASROBO-UHFFFAOYSA-N 305.422 1.433 10 10 DDCE Cc1ccc(O)c(CNS(=O)(=O)CCOC(C)(C)C)c1 867559145 GZFIEOTYHFHOKI-UHFFFAOYSA-N 301.408 1.935 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)[C@]23CCC[C@H]2OCC3)cc1 872256325 PDZFDVBHZSSJNM-NUJGCVRESA-N 317.433 1.828 10 10 DDCE COC(=O)[C@@H]1O[C@@H](C(=O)N2Cc3cccc(O)c3C2)C[C@H]1C 871207462 OJQJLOQGCZFZEL-OWYVNGRQSA-N 305.330 1.201 10 10 DDCE Oc1cc2c(cc1CNC[C@H](O)Cc1ccc(F)cc1)OCO2 886239287 SZVOTIJEPAHETK-CQSZACIVSA-N 319.332 1.953 10 10 DDCE COC(=O)[C@H](C1CC1)N1CCN(c2ccc(OC)c(F)c2)CC1 782046242 YSJQZGJSBOTTES-INIZCTEOSA-N 322.380 1.908 10 10 DDCE O=C(NCCOC(=O)C1CC1)c1cc2cc(O)c(O)cc2s1 897659906 PUTCEIYAVOHKTA-UHFFFAOYSA-N 321.354 1.996 10 10 DDCE C[C@H](NCc1ccc(N2CCOCC2)cc1)c1nnc(O)n1C 895185355 ZNQCRTULFCGFBE-LBPRGKRZSA-N 317.393 1.208 10 10 DDCE CNCc1ccc(OC)c(CSCCS(C)(=O)=O)c1 81768853 KHXYIMWDCVWWOP-UHFFFAOYSA-N 303.449 1.692 10 10 DDCE O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cccc(O)c1O 790598675 MWBBUVSSAPXQJO-QMMMGPOBSA-N 304.268 1.464 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCc2cnsc2)cc1 687228999 VLORQSBIFKYEAZ-UHFFFAOYSA-N 313.404 1.224 10 10 DDCE CN1CCN(c2ccc(/C=C3\SC(=N)NC3=O)cc2F)CC1 1332406095 HRGBBTZTMVIEIQ-LCYFTJDESA-N 320.393 1.716 10 10 DDCE CC[C@H](C(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1)N(C)C 1268693259 VHKZKQZNWQSBTI-GOEBONIOSA-N 321.465 1.938 10 10 DDCE Cc1nc(CN(C)C(=O)c2ccc(N=NC(N)=O)cc2)no1 1447049410 HIQDDYPNWBSFFQ-UHFFFAOYSA-N 302.294 1.813 10 10 DDCE C[C@](O)(CNC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 1447190579 CBTCRJFEZKUKQS-KRWDZBQOSA-N 319.332 1.803 10 10 DDCE COC(=O)c1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 1630042586 PSDVSWXTCULFBJ-UHFFFAOYSA-N 315.325 1.743 10 10 DDCE C[C@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1O 1648892402 ZJVMTEBKIDWJDT-NSHDSACASA-N 309.329 1.859 10 10 DDCE O=C(Cn1cnc(-c2ccccc2)n1)NCc1ccc(O)cc1O 1570462353 QCFIOFRLZBMOSS-UHFFFAOYSA-N 324.340 1.673 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2nc(C)c[nH]2)cc1C 1669420906 BKKXVICOJUCKCT-GFCCVEGCSA-N 316.405 1.943 10 10 DDCE CNC(=O)Cc1noc(-c2ccc(-n3cccc3)c(F)c2)n1 162989524 PFGDYFSNYBUGLH-UHFFFAOYSA-N 300.293 1.955 10 10 DDCE COc1cc(CN2CC[C@H](N3CCOCC3)C2)c(O)cc1C 160297946 RHEIIQQKKRMWAV-HNNXBMFYSA-N 306.406 1.616 10 10 DDCE NCc1ccc(N2CCC[C@H](C(N)=O)C2)c(C(F)(F)F)c1 163650974 CAIFHUBXURCTPD-JTQLQIEISA-N 301.312 1.866 10 10 DDCE CCc1n[nH]c(=Nc2cc(S(=O)(=O)CC)ccc2O)s1 1859832207 HAMQMOCDZZWKSC-UHFFFAOYSA-N 313.404 1.765 10 10 DDCE Nc1ccc(Cc2ccc(NC(=O)C[C@H](N)C(=O)O)cc2)cc1 1865998552 WWLRHDPSFUDXMC-HNNXBMFYSA-N 313.357 1.600 10 10 DDCE C[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)c1nccs1 235470533 YZNBVMBEGLNVGM-SNVBAGLBSA-N 311.432 1.948 10 10 DDCE CN(Cc1ccc(N)cc1)C[C@H](O)CN(C)C(=O)OC(C)(C)C 1977895126 YGWGANSKEYTJSJ-HNNXBMFYSA-N 323.437 1.928 10 10 DDCE Cc1nc(N(C)Cc2ccc(N)cc2)sc1S(N)(=O)=O 2148891547 GSHJIMUPONGSQL-UHFFFAOYSA-N 312.420 1.318 10 10 DDCE Cc1c(S(=O)(=O)Nc2ccc(O)cc2Cl)cnn1C 311479996 QTONVDATJIQMDT-UHFFFAOYSA-N 301.755 1.888 10 10 DDCE Cc1cn2c(n1)CC[C@H](C(=O)NCc1ccc(O)c(O)c1)C2 2062268413 UNUWTKKLWBRJJP-LBPRGKRZSA-N 301.346 1.482 10 10 DDCE Oc1cccc(Br)c1CN1C[C@@H](O)CC12CNC2 2066532106 BJBKSXJXZPGTDS-VIFPVBQESA-N 313.195 1.063 10 10 DDCE Cc1ccc(O)c(CNCCn2cc(Br)nn2)c1 2072768780 WKQPVZRJGGZIEI-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE CSc1ncc(CNC(=O)Cc2csc(=N)[nH]2)s1 2256941293 FQZADJHGDPSZKK-UHFFFAOYSA-N 300.434 1.593 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2ccc(N)cc2)s1 2269135705 UVTUZPMZKYQYQJ-UHFFFAOYSA-N 315.445 1.926 10 10 DDCE CSc1ncc(CNC(=O)N(CC(=O)O)CC2CC2)s1 2284537136 IWOUGOVWWLCCRC-UHFFFAOYSA-N 315.420 1.871 10 10 DDCE Cc1ccc(CN(C)c2nnnn2C)c(O)c1Br 2327798029 BPHMDWHLLGHFAL-UHFFFAOYSA-N 312.171 1.623 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)COCC[C@@H]2C)s1 2350651712 DEYLVHGDOOQJAF-QPUJVOFHSA-N 302.421 1.834 10 10 DDCE CN(Cc1ccccc1O)C(=O)CNc1ccc(C(N)=O)cc1 172700193 ZNWUTWOAZDAJTL-UHFFFAOYSA-N 313.357 1.562 10 10 DDCE CC(=O)N(C(=O)CCn1c(O)nc(C)c1C)c1ccc(N)cc1 170238204 RSMDMDQKKXTYPP-UHFFFAOYSA-N 316.361 1.758 10 10 DDCE Cc1ccc(F)cc1S(=O)(=O)NCc1cc(N)ccc1O 36742772 PKETXNNBSOOFAC-UHFFFAOYSA-N 310.350 1.900 10 10 DDCE CCc1n[nH]c([C@H]2CN(Cc3cccc(OC)c3O)CCO2)n1 129107751 BJGASIAKYOGENJ-CYBMUJFWSA-N 318.377 1.655 10 10 DDCE CC[C@H]1CN(Cc2cc(OC)ccc2O)CCN1C[C@@H](C)O 180085470 PAAXFQWFFALNLU-HIFRSBDPSA-N 308.422 1.678 10 10 DDCE CC(C)(C)OC(=O)N1CCN[C@@](C)(c2cc(O)c(O)c(O)c2)C1 1952082032 WNODJRSHIWKMOO-MRXNPFEDSA-N 324.377 1.859 10 10 DDCE C[C@@H](CN1CCCCC1)NS(=O)(=O)Cc1ccc(N)cc1 49500622 VODRQXSZELEFNA-ZDUSSCGKSA-N 311.451 1.563 10 10 DDCE COc1cc(Cl)c(N(CCN)CCN(C)C)c(OC)c1 2368121958 XLZXLLPZZCORSU-UHFFFAOYSA-N 301.818 1.684 10 10 DDCE Cc1cc(Br)c(O)c(CNCC[S@@](C)=O)c1 134750249 FVMQKOXKDXAFOR-INIZCTEOSA-N 306.225 1.931 10 10 DDCE C[C@@H]1COCC[C@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 277571303 VBRGYJPFVXIGAM-RHSMWYFYSA-N 319.449 1.726 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(N2CCNC2=O)ccc1Cl 808524088 YKWQCGQWBBTMPR-UHFFFAOYSA-N 324.720 1.185 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@]3(C)C[C@@H](O)CN3C)ccc21 900432503 CZYOVFIDROXTQL-QAPCUYQASA-N 317.433 1.140 10 10 DDCE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1COc1ccc(N)cc1 1952755126 NEFAPMOKFHFNKX-LBPRGKRZSA-N 321.377 1.383 10 10 DDCE COC[C@H]1C(=O)N[C@@H](c2cccc(Br)c2O)N1C 840827910 CSUBSJXUPNEQOS-GXSJLCMTSA-N 315.167 1.230 10 10 DDCE COc1ccc(N(C)CCN(C)S(=O)(=O)CC2CC2)cc1 845988230 SDDMFOBGGXSUFJ-UHFFFAOYSA-N 312.435 1.803 10 10 DDCE COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](C4CC4)C3=O)C2)cc1 849357520 MYCYAXOVVRSACT-ZFWWWQNUSA-N 315.373 1.604 10 10 DDCE C[C@H](NC(=O)c1nccn1C)c1ccc(N2CCOCC2)cc1 741264917 XIPLNVNRSJBOEM-ZDUSSCGKSA-N 314.389 1.748 10 10 DDCE CCN1C[C@@H](COC(=O)/C=C/c2ccc(O)c(O)c2)OC1=O 848731460 DDWUFTFJDOHMTM-MALLOTDXSA-N 307.302 1.495 10 10 DDCE C[C@H]1CN(CCO)[C@H](C)CN1Cc1cc2c(cc1O)OCO2 841892196 UVOCKYOFMWEREO-NEPJUHHUSA-N 308.378 1.008 10 10 DDCE Cn1nnc2c1C[C@@H](C(=O)NCc1c(O)cccc1F)CC2 928705502 IYFJPFKSDPCUNL-VIFPVBQESA-N 304.325 1.081 10 10 DDCE COCc1nc(C(=O)N[C@H](C)c2cc(OC)ccc2O)n(C)n1 853801555 CHGBIRXCXNDDDI-SECBINFHSA-N 320.349 1.167 10 10 DDCE Nc1ccc(NC(=O)N2CCC([C@@H]3COC(=O)N3)CC2)cc1 926142032 HYWOZEIIWFNQLX-ZDUSSCGKSA-N 304.350 1.621 10 10 DDCE c1cc(N2CCOCC2)ccc1CNCCOC1CCOCC1 922937725 YRXUIPVRZLDPDV-UHFFFAOYSA-N 320.433 1.808 10 10 DDCE COc1ccc(N2CCC(NC[C@H](O)[C@@H]3CCCO3)CC2)cc1 858225470 GIDPTXVXQLDVBF-ROUUACIJSA-N 320.433 1.794 10 10 DDCE CN1CCN(c2ccc(CNCc3ncc[nH]3)cc2F)CC1 1349632368 HSEJWXJDPKAFNV-UHFFFAOYSA-N 303.385 1.590 10 10 DDCE C[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1O 868217710 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CC(C)(C)OC(=O)NCc1n[nH]c(=NCc2ccccc2O)o1 1994108634 PODAZDTWVSOTIX-UHFFFAOYSA-N 320.349 1.834 10 10 DDCE O=S1(=O)CCCN1CCNCc1cccc(Cl)c1O 405451476 UWCVUMSAYPNVJV-UHFFFAOYSA-N 304.799 1.171 10 10 DDCE COc1cc(Cl)cc(CN(C)[C@H]2COC[C@@H]2OC)c1O 2177283635 OEMHUOZKYCNNGV-AAEUAGOBSA-N 301.770 1.900 10 10 DDCE CCc1c(NC(=O)c2cnn3c(O)cc(C)nc23)cnn1C 2064815678 CUYWMHQUCRMYEL-UHFFFAOYSA-N 300.322 1.292 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2CCOC[C@@H]2CO)c1O 2193251990 DUGHLIBTCPMYCG-CMPLNLGQSA-N 301.770 1.541 10 10 DDCE O=C1N[C@@H]2CN(Cc3c(O)cccc3Br)C[C@H]2O1 2056807454 ICICOMWTCXFQAS-MWLCHTKSSA-N 313.151 1.447 10 10 DDCE C[C@H](N)c1ccc(N2CC(=O)NC[C@@H]2C)cc1Br 2060839662 GSYRUJNCJIDNES-IUCAKERBSA-N 312.211 1.794 10 10 DDCE CCOCCOCCOCCSc1ncc(CN)s1 2231744581 HVQFTTAGIOMMGW-UHFFFAOYSA-N 306.453 1.764 10 10 DDCE CSc1ncc(CNCCCOCCOCCN)s1 2269317689 ZQEZUHPWKONRGE-UHFFFAOYSA-N 305.469 1.337 10 10 DDCE CCCCN1C(=O)NC(=O)C(=CNc2cccc(N)c2)C1=O 2296088767 ONPPPTSXLQGJGW-UHFFFAOYSA-N 302.334 1.443 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@H]1CCOC1 2303406926 NYQIDHZUJASSFN-HNNXBMFYSA-N 302.374 1.442 10 10 DDCE Cc1ccc(CNC(=O)Cn2ccnc2)c(O)c1Br 2352932939 TYFYTTWDKYSQFH-UHFFFAOYSA-N 324.178 1.976 10 10 DDCE COc1ccc(CN2CCC(NC(=O)C3CC3)CC2)c(O)c1 179916926 NTGVFCWFEZHMFJ-UHFFFAOYSA-N 304.390 1.891 10 10 DDCE Nc1ccc(CS(=O)(=O)CC(=O)NCc2ccccc2)cc1 58236394 VQQNGNNTYRDHMP-UHFFFAOYSA-N 318.398 1.500 10 10 DDCE O=[N+]([O-])c1cc(NS(=O)(=O)N2CCCCC2)ccc1O 133734658 MAWAWXLVRHVNCW-UHFFFAOYSA-N 301.324 1.443 10 10 DDCE CS(=O)(=O)N[C@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 54468897 VBVDNDONDUBJMK-HNNXBMFYSA-N 324.446 1.395 10 10 DDCE C[C@@H]1CC[C@@H](O)CN1Cc1ccc(N2CCN(C)CC2)c(F)c1 1346044487 MVWPHTDRXHGDEJ-GDBMZVCRSA-N 321.440 1.923 10 10 DDCE C[C@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C[C@@H](C)S1 70386365 MQNRBPAUGFACTG-UMNHJUIQSA-N 310.419 1.320 10 10 DDCE CCN(CC(=O)O)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 190787988 OHCUTLSIWTZGFO-VMPITWQZSA-N 318.373 1.470 10 10 DDCE N[C@@]1(C(=O)O)CCN(Cc2cc(Br)ccc2O)C1 236308901 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Cc1cnc(CCNC(=O)NCc2c(O)cccc2F)cn1 922811925 RXJGHCIPYVSPOM-UHFFFAOYSA-N 304.325 1.672 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@]3(C)CCOC3)C2)cc1 854299299 NKEKMJZLKLBCTO-SUMWQHHRSA-N 319.405 1.752 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C3)C2)cc1 851688061 POLDNQCPURHPJS-KBPBESRZSA-N 301.390 1.186 10 10 DDCE CC(C)(O)C[C@@H](O)CNCc1ccc(N2CCC(O)CC2)cc1 872215726 GYEMDCQQGFVXQT-QGZVFWFLSA-N 322.449 1.259 10 10 DDCE COC(=O)N1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1 871206230 WYNWWSRSGIFVQB-UHFFFAOYSA-N 304.346 1.713 10 10 DDCE COc1ccc(CNC(=O)Nc2cn(C)c(=O)cc2C)c(O)c1 797632197 DKTFQDHLPZIJGL-UHFFFAOYSA-N 317.345 1.730 10 10 DDCE C[C@H]1CN(c2ccc([C@@H](C)N)c(Cl)c2)CCS1(=O)=O 707161120 XKJAAPIDCYBQHS-VHSXEESVSA-N 302.827 1.983 10 10 DDCE O=C(O)[C@@H]1C[C@@H]1CNCc1c(O)cccc1Br 715249473 NZFVSFWKSJVCBM-HTQZYQBOSA-N 300.152 1.965 10 10 DDCE CC(C)n1cnnc1SCC(=O)NCc1cc(O)ccc1O 1303223249 HJFINZNWZJUZKV-UHFFFAOYSA-N 322.390 1.679 10 10 DDCE COC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccsc1 1448169019 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1.841 10 10 DDCE CS(=O)(=O)C[C@H]1CCCCN1c1ccc(CN)c(F)c1 2151272440 CHPRVLWXHJQWLS-CYBMUJFWSA-N 300.399 1.688 10 10 DDCE C[C@@H](O)c1ccc(N2CC(OCCO)C2)c(Br)c1 2034842982 YNUWIHJWCLSZOD-SECBINFHSA-N 316.195 1.700 10 10 DDCE C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)Cc1ccc(O)c(O)c1 2062779636 KKBIGYWOYAEJAX-AMIZOPFISA-N 319.279 1.819 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCCC[C@@H]3C[C@@H](C)O)c2n1 2063654458 UCSMHGFCKSYQAJ-VXGBXAGGSA-N 318.377 1.509 10 10 DDCE CCNC(=O)c1cn([C@H](C)c2c(O)cccc2OC)nc1O 2070630750 DASQEMJAPZMCLR-SECBINFHSA-N 305.334 1.662 10 10 DDCE CCCS(=O)(=O)C[C@@H](C)NCc1ccc(F)c(F)c1O 2170600259 KUOUMMTZEZRREV-SECBINFHSA-N 307.362 1.973 10 10 DDCE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188920413 VIWSWGYURMZNEE-GXSJLCMTSA-N 323.345 1.417 10 10 DDCE C[C@@H](CNC(=O)CCOc1ccc(N)cc1)CC1(C)OCCO1 2191657977 FUESCZRYSABLER-CYBMUJFWSA-N 322.405 1.943 10 10 DDCE Oc1ccc(Br)cc1CN1CCN[C@H]2COC[C@H]21 2068834909 YVHFDFFBJXAGLK-NWDGAFQWSA-N 313.195 1.327 10 10 DDCE NCc1ccc(N2CC[C@@H]3CC(=O)N[C@@H]3C2)cc1Br 2088806396 PAMKMFDTOMLUAP-NOZJJQNGSA-N 324.222 1.623 10 10 DDCE Nc1cc2c(cc1N1CCC(C3OCCO3)CC1)OCCO2 2089590680 FNFDZTNAADNGTL-UHFFFAOYSA-N 306.362 1.629 10 10 DDCE Oc1ccc(CCN=c2nc(Cl)nc(Cl)[nH]2)cc1O 2091757714 AQDRBZQTIZGRDT-UHFFFAOYSA-N 301.133 1.666 10 10 DDCE CO[C@@H]1CC[C@@H]1CS(=O)(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 2239419137 WLVQNKCMJHHYNJ-QJPTWQEYSA-N 302.400 1.764 10 10 DDCE COC(=O)N[C@@H](C)CNCc1c(O)cccc1Br 2261476407 JOXMHSQVZAQBPD-QMMMGPOBSA-N 317.183 1.989 10 10 DDCE CSc1ncc(CNC(=O)[C@@H](C(=N)NO)C2CC2)s1 2269098846 NJNNKJXPKHGUEI-MRVPVSSYSA-N 300.409 1.463 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@H]2CCCC[C@@H]2N)s1 2269097221 BMVXJEGEYGPKBU-UWVGGRQHSA-N 321.493 1.554 10 10 DDCE COC1([C@@H](N)C(=O)NCc2cnc(SC)s2)CCCC1 2284496556 CFGOXVHEWFBCQS-JTQLQIEISA-N 315.464 1.768 10 10 DDCE C[C@@H](OCCCS(C)(=O)=O)C(=O)Nc1ccc(N)cc1 2295829924 BXINCVCFYNRGMA-SNVBAGLBSA-N 300.380 1.047 10 10 DDCE CCN1C(=O)C(=Cc2ccc(OC)c(O)c2)C(=O)NC1=S 2297327189 RMEOOZPXCOYPAX-UHFFFAOYSA-N 306.343 1.047 10 10 DDCE C[C@H](NS(=O)(=O)c1cnc(Cl)nc1)c1ccccc1O 1185062475 BDGRFEHLRGXGBE-QMMMGPOBSA-N 313.766 1.875 10 10 DDCE Cn1nc(Br)c(=NC(=O)CCc2ccc(N)cc2)[nH]1 2343078849 YKEABMWEBVHVGH-UHFFFAOYSA-N 324.182 1.153 10 10 DDCE CCN[C@@H](C[C@@H]1CCN(c2ccc3c(c2)OCO3)C1)C(=O)O 107944373 JIAYIWXAGHHNOR-AAEUAGOBSA-N 306.362 1.694 10 10 DDCE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc2c(cc1O)CCC2 172407806 CWLXYYZLUHWORR-VXGBXAGGSA-N 309.431 1.888 10 10 DDCE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc([N+](=O)[O-])ccc1O 172437194 MNLRYOAYUNZOSG-NXEZZACHSA-N 314.363 1.308 10 10 DDCE C[C@H](NC=C1C(=O)NC(=S)NC1=O)c1ccc(F)c(F)c1 72680452 JDLMBAQMRZLYGL-LURJTMIESA-N 311.313 1.030 10 10 DDCE CCN(CC)c1ccc(CNC(=O)N2CC(NC(C)=O)C2)cc1 189906521 GIXXAGSQAOCWOA-UHFFFAOYSA-N 318.421 1.563 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@@H]2Cn2ccnc2)c(O)c1O 182565934 FAFGEGHARRCKRX-GFCCVEGCSA-N 301.346 1.908 10 10 DDCE Oc1ccc(I)cc1[C@H]1C[C@@H](O)CN1 1952068435 OMGPZFCLKKBIIB-VXNVDRBHSA-N 305.115 1.392 10 10 DDCE C[C@H](C[S@@](C)=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 248493571 PGUFTKQXHCMEAX-ZMOMAAQPSA-N 310.463 1.941 10 10 DDCE CCNC(=O)C[C@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O 285603421 BTEGJIPELVIGAB-GFCCVEGCSA-N 320.389 1.927 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccsc1NC(=O)c1ccco1 808516130 AOFXNUPHEXZMCD-UHFFFAOYSA-N 321.310 1.908 10 10 DDCE CSCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 299154222 LVECUWAMQBUUDO-UHFFFAOYSA-N 312.410 1.766 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCCO 298116502 WBQSAGQTRQNJNR-UHFFFAOYSA-N 322.405 1.362 10 10 DDCE Nc1ccc(CNS(=O)(=O)C[C@H]2C[C@H]2C(F)(F)F)cc1 2164633796 MEAUKRFKCSAHLE-MWLCHTKSSA-N 308.325 1.887 10 10 DDCE O=S(=O)(CC1CCNCC1)Nc1ccc(O)cc1Cl 722249997 YPYZPYCQIMZPDH-UHFFFAOYSA-N 304.799 1.787 10 10 DDCE O=C(CC1(O)CCOCC1)NCc1ccc2cccnc2c1O 911261760 NKULFULIEVAGIP-UHFFFAOYSA-N 316.357 1.488 10 10 DDCE COC(=O)[C@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 849322265 QCHKHXUNBKBICG-CZUORRHYSA-N 304.390 1.815 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)F 910066343 BVJHJNILFKNJPV-ZWNOBZJWSA-N 312.268 1.573 10 10 DDCE CN1CCN(C(=O)OC(C)(C)C)[C@H](c2cc(N)ccc2O)C1=O 1952909061 GWCRKWVVJIWCPC-CYBMUJFWSA-N 321.377 1.725 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2C[C@@H](C(N)=O)C2)c1 845447136 ZFEZHNVBHJHEKU-BBBLOLIVSA-N 307.350 1.025 10 10 DDCE CC(C)OC[C@H](O)CNCc1ccc(N2CCC(O)CC2)cc1 853122058 LSMUCMDHRRCCAN-GOSISDBHSA-N 322.449 1.523 10 10 DDCE CN1CCCc2cc(CNC(=O)N3CC4CC3(CN)C4)ccc21 851655864 AHYSRTKSZSXNPJ-UHFFFAOYSA-N 314.433 1.702 10 10 DDCE CO[C@@H](CS(=O)(=O)NCc1c(O)cccc1F)C(C)C 921450690 CXDGAQWXGCSAKN-ZDUSSCGKSA-N 305.371 1.622 10 10 DDCE CCOC(=O)[C@@H](CSC)NC(=O)c1ccc(C)c(O)c1O 928288532 SMFMVBXPNWVAKW-SNVBAGLBSA-N 313.375 1.431 10 10 DDCE Cc1c(C(=O)NCc2ccccc2O)cccc1S(N)(=O)=O 754085956 UCBZJETZBJZLJE-UHFFFAOYSA-N 320.370 1.278 10 10 DDCE CN(C1CCOCC1)S(=O)(=O)N1Cc2cccc(O)c2C1 867690225 DGRONRHNVLUAIY-UHFFFAOYSA-N 312.391 1.063 10 10 DDCE Cn1nccc1CCC(=O)OCC(=O)c1ccc(O)c(O)c1 784800431 JWKBQXQIRDCURE-UHFFFAOYSA-N 304.302 1.190 10 10 DDCE Cc1nncn1CCNCc1ccc(Br)cc1O 691392213 PNQOCXIBIVSTMR-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCN(CC(F)(F)F)C1 1153884761 HMQSQYODEXOYFV-SECBINFHSA-N 318.295 1.598 10 10 DDCE Cn1c(=O)cc(C(=O)NCc2ccc(O)cc2O)c2ccccc21 1162278776 MHBRWJMQOHMDJO-UHFFFAOYSA-N 324.336 1.880 10 10 DDCE CC(C)(C)OC(=O)NCC1CN(Cc2cc(N)ccc2O)C1 1959548241 IEGNWCSWQSGYRY-UHFFFAOYSA-N 307.394 1.931 10 10 DDCE N[C@H](c1c(O)c(Cl)cc(Cl)c1Cl)[C@@H](O)C(=O)O 1906070515 IDYWMZPDFDIUSO-HTRCEHHLSA-N 300.525 1.798 10 10 DDCE Cn1nc(C2CCOCC2)cc1C(=O)NCc1ccccc1O 1263769373 XFWFSMOCKSDFRD-UHFFFAOYSA-N 315.373 1.950 10 10 DDCE COCC1(CCNC(=O)C(=O)N(C)Cc2ccccc2O)CC1 1349267988 COOGQFVSYFKIKC-UHFFFAOYSA-N 320.389 1.284 10 10 DDCE Cn1nnc(Br)c1CN1CC[C@H](CN=[N+]=[N-])C1 1912145275 FIJAMYLHYQOHCM-SSDOTTSWSA-N 300.164 1.710 10 10 DDCE CCOC(=O)C1(CNC(=O)Cc2ccc(O)c(O)c2)CCC1 1444330783 VHZDRDLYERCYAU-UHFFFAOYSA-N 307.346 1.490 10 10 DDCE CN(C)[C@@H]1COC[C@@H]1NCc1cccc(Br)c1O 1922041272 BMJNGQJIZTVLSK-NWDGAFQWSA-N 315.211 1.573 10 10 DDCE CC(C)[C@H](NC=O)C(=O)NCc1c(O)ccc2ccccc12 1472084677 BOICBPBQTILPTA-INIZCTEOSA-N 300.358 1.932 10 10 DDCE CN(C)c1ccc([C@H](CNC(=O)c2n[nH]cc2F)N(C)C)cc1 1558723839 XJXADKROKWEZHJ-AWEZNQCLSA-N 319.384 1.648 10 10 DDCE NC(=O)c1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)cs1 1557744005 LOCDBPWUUVDKRC-RQOWECAXSA-N 304.327 1.910 10 10 DDCE NC(=O)c1ccc(CCC(=O)NCc2c(O)cccc2O)cc1 1647291318 WZLLOGTZSWPZGA-UHFFFAOYSA-N 314.341 1.446 10 10 DDCE COC(=O)c1cc(CNC(=O)c2c(F)ccc(O)c2O)oc1C 1654206075 TUDWZSWRXVPXPV-UHFFFAOYSA-N 323.276 1.855 10 10 DDCE COCc1nnc2n1CCN(Cc1ccc(N(C)C)cc1)C2 1654978050 BEZBDHARYAMZGV-UHFFFAOYSA-N 301.394 1.506 10 10 DDCE CCOC(=O)N1CCC(C(=O)NCc2c(O)cccc2O)CC1 1597568471 DVBXGPLYDZSRPX-UHFFFAOYSA-N 322.361 1.583 10 10 DDCE CO[C@@H]1CN(c2ccc(CN)cc2Br)C[C@H]1OC 234977992 WHXHTFAKBQZZPS-CHWSQXEVSA-N 315.211 1.758 10 10 DDCE CN(CCC(=O)O)C(=O)CCNCc1ccc(N(C)C)cc1 1857862974 LITDRFDWPPOWKJ-UHFFFAOYSA-N 307.394 1.165 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)c(Cl)c1 2144169581 NMMYYYMHKSPWJP-ZMLRMANQSA-N 314.838 1.841 10 10 DDCE Cn1ncc(CO)c1S(=O)(=O)Nc1ccc(O)cc1Cl 2157735401 ZBQHNOWPPHPUFB-UHFFFAOYSA-N 317.754 1.072 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@H](C)C(N)=O)c(Br)c1 711086832 HLZHMNLOWXIFHW-SFYZADRCSA-N 301.184 1.812 10 10 DDCE Nc1ccc(-n2ccc(C(=O)N3CCC4(C3)OCCO4)n2)cc1 396524453 DSPPDFZUEZPUKM-UHFFFAOYSA-N 314.345 1.044 10 10 DDCE CO[C@H]1C[C@H](NC(=O)c2cnn3c(O)cc(C)nc23)C12CCC2 2062547767 RUKPVWBXTRJQOK-RYUDHWBXSA-N 316.361 1.431 10 10 DDCE CN(C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1ccc(CN)cc1Cl 2174648498 PJHJEHYOSTWWLI-CNDDSTCGSA-N 314.838 1.526 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)[C@@H]1CC(=O)N(C2CCCC2)C1 2065050124 AMFVZZBHVZBEJA-SNVBAGLBSA-N 304.346 1.827 10 10 DDCE CCNC(=O)c1cc(CC)nn1Cc1cccc(OC)c1O 2070155965 VDECMIDELCQWKQ-UHFFFAOYSA-N 303.362 1.958 10 10 DDCE O=C1Nc2cc(N3C[C@H](F)[C@@H](CO)C3)c(Cl)cc2[C@@H]1O 2177140056 QHNPJRUYILMVQT-ZIGWGHGNSA-N 300.717 1.092 10 10 DDCE O=S1(=O)C[C@@H]2[C@@H](CCN2Cc2cc(Cl)ccc2O)C1 2094883859 ZZWQPYDUDBWLEF-JOYOIKCWSA-N 301.795 1.665 10 10 DDCE Nc1ccc(OCCN=c2cc(N)c(Br)c[nH]2)cc1 2231073103 KAIVQCZORQNDPK-UHFFFAOYSA-N 323.194 1.921 10 10 DDCE CCNCc1cnc(SCC2(S(C)(=O)=O)CC2)s1 2222025852 PEAZRSCWRRGJIV-UHFFFAOYSA-N 306.478 1.922 10 10 DDCE COc1ccc(C=C2SC(N3CCOCC3)=NC2=O)cc1O 2297352319 ZLCFRVDMRBMHEM-UHFFFAOYSA-N 320.370 1.703 10 10 DDCE COc1cc(C=C2C(=O)NC(=O)N(C)C2=O)cc(Cl)c1OC 2313548662 BKYDEZYQRPPBEU-UHFFFAOYSA-N 324.720 1.449 10 10 DDCE COc1ccc(N2CCN(C(=O)C[C@H]3CCNC3)CC2)cc1 174011830 HSPJTHUBXGITCL-CQSZACIVSA-N 303.406 1.343 10 10 DDCE Cc1ccc(O)c([C@H](C)Nc2cnn(CC(=O)NCCO)c2)c1 186508088 HAYMVYFZBJRUSZ-LBPRGKRZSA-N 318.377 1.179 10 10 DDCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1cscc1Br 380893329 PYDIGDSCBKKGMG-ZETCQYMHSA-N 304.173 1.937 10 10 DDCE COc1cc(Cl)c(N2CC[C@@H](N)[C@H](CO)C2)c(OC)c1 2368115553 BMQHNRSDJNWOQU-JOYOIKCWSA-N 300.786 1.503 10 10 DDCE CN(C)c1ccc([C@@H](N)c2c(Br)nnn2C)cc1 234249891 XTCMPGWAERULLX-SNVBAGLBSA-N 310.199 1.692 10 10 DDCE CCOC(=O)N1CCN(C(=S)Nc2ccc(N)cc2)CC1 244035123 SVHCCGDMNHFWGK-UHFFFAOYSA-N 308.407 1.740 10 10 DDCE COC1CCN(c2ccc(CN3CCNC(=O)CC3)cc2)CC1 296963299 CROVYEVRPIFHPA-UHFFFAOYSA-N 317.433 1.624 10 10 DDCE COc1ccc(N2CCN(C[C@@H](O)COCC(C)C)CC2)cc1 298194826 CIHSCWYKBYTHJX-QGZVFWFLSA-N 322.449 1.851 10 10 DDCE CCCS(=O)(=O)c1ccccc1C(=O)OCC(=O)C(C)=O 808503535 QCEAVFSICYOBME-UHFFFAOYSA-N 312.343 1.185 10 10 DDCE Nc1ccc(CNS(=O)(=O)C[C@@H]2C[C@@H]2C(F)(F)F)cc1 2164633797 MEAUKRFKCSAHLE-ONGXEEELSA-N 308.325 1.887 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@H](O)C(F)(F)C2)c1O 826958845 URTDNUGWVDFTOU-JTQLQIEISA-N 318.276 1.511 10 10 DDCE CN(C)c1ccc(CNC[C@@H]2CCCCN2CCO)cc1F 824583827 RRLPGEDHPWOMPD-HNNXBMFYSA-N 309.429 1.828 10 10 DDCE O=c1oc2ccc(Cl)cc2n(OCC[C@H]2CCCCN2)c1=O 821297459 UGTBVJYHKFHZHS-LLVKDONJSA-N 324.764 1.569 10 10 DDCE COC(=O)c1cnc(SC[C@@H](O)C2(O)CCCC2)s1 905954320 AABQEJJDUCKOQI-SECBINFHSA-N 303.405 1.688 10 10 DDCE N[C@@]1(c2cc(I)ccc2O)C[C@H]1C(=O)O 1952775214 NWWVSFWNIRCCBA-OIBJUYFYSA-N 319.098 1.255 10 10 DDCE COc1ccc2c(c1)CCN2C[C@H]1CCCN(C(=O)CN)C1 841003132 OFOIUENWRZLWJA-CYBMUJFWSA-N 303.406 1.255 10 10 DDCE C[C@H](O)[C@H]1CN(Cc2cccc(Br)c2O)CCO1 840977600 LCLISIGVBUEZSS-JOYOIKCWSA-N 316.195 1.736 10 10 DDCE O=S(=O)(NCc1c(O)cccc1F)c1cnc2n1CCC2 921452378 NHXQQOCDNGHQLQ-UHFFFAOYSA-N 311.338 1.153 10 10 DDCE CON(C)C(=O)[C@H](C)NCc1cc(Br)ccc1O 858319810 HXCVNKRBCWKVOI-QMMMGPOBSA-N 317.183 1.653 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@@H](C(=O)O)C3CC3)ccc21 852946684 ZCEWDJIDWMJHOK-HNNXBMFYSA-N 302.374 1.796 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc2nc(O)n(C3CC3)c2c1 850103983 GOHUNEOWDFBOOY-UHFFFAOYSA-N 302.286 1.392 10 10 DDCE COC(=O)CCNC(=O)CCN[C@@H](C)c1ccc(F)cc1O 858541433 KBAQYSDBCFHCOW-JTQLQIEISA-N 312.341 1.251 10 10 DDCE CC(C)C[C@H](C(N)=O)C(=O)NCc1ccc2cccnc2c1O 862025629 YNXJFNYUCZZXDA-CYBMUJFWSA-N 315.373 1.704 10 10 DDCE OC[C@@]1(O)CCCN(Cc2c(O)cccc2Br)C1 862392777 QNMVWKWLRAMDQI-CYBMUJFWSA-N 316.195 1.474 10 10 DDCE COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 862487427 RDWVVEKDXFAYEO-ABAIWWIYSA-N 310.369 1.654 10 10 DDCE CC(C)n1ncnc1CNC(=O)/C=C\c1ccc(O)c(O)c1 861451331 PWNXYKARVQUWRL-XQRVVYSFSA-N 302.334 1.600 10 10 DDCE C[C@H](NS(=O)(=O)N(C)C1CCOCC1)c1ccccc1O 867834920 UYCQCIUMWGMHQT-NSHDSACASA-N 314.407 1.398 10 10 DDCE C[C@@H](NC[C@H](O)CC1(O)CCOCC1)c1ccc(N(C)C)cc1 872206632 YVXFVXFERWSDLQ-RHSMWYFYSA-N 322.449 1.696 10 10 DDCE COc1cc(O)c(CN2CCCn3nncc3C2)cc1OC 895756676 ZHZXLQGZIWMCPQ-UHFFFAOYSA-N 304.350 1.407 10 10 DDCE COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccc(F)c(F)c1O 895867698 YSGZQNYGONAMHS-CMPLNLGQSA-N 315.316 1.871 10 10 DDCE O=C(NCc1ccccc1O)c1cccc(Cn2cncn2)c1 1137471511 OOSXYDGWBDRSHM-UHFFFAOYSA-N 308.341 1.962 10 10 DDCE COc1ccc(CNS(=O)(=O)N2CCC[C@@H](C)C2)c(O)c1 795357972 VGJNVYUNJYGYEY-LLVKDONJSA-N 314.407 1.467 10 10 DDCE Cc1ccsc1[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1152135881 HDWATGZHVVGIIG-NSHDSACASA-N 307.371 1.860 10 10 DDCE CC(C)(C)N1C[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)CC1=O 1453745047 VHLLUBAXQFXNPM-GFCCVEGCSA-N 320.389 1.404 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2csnn2)cc1C 1714740520 PMOHQRSXMYSJIM-UHFFFAOYSA-N 320.418 1.717 10 10 DDCE O=Cc1ccc(OCC(=O)NCc2ccc(O)cc2O)cc1 1557084545 DOPVHGADSZLZLA-UHFFFAOYSA-N 301.298 1.606 10 10 DDCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCC1CC1 1491690391 LCXKJMFXONGNOJ-JTQLQIEISA-N 303.366 1.967 10 10 DDCE O=C1C[C@H](Oc2cccc(NC(=O)c3cccc(O)c3O)c2)N1 1639038708 MDWLWUZHQLZCSB-AWEZNQCLSA-N 314.297 1.575 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccc2oc(O)nc2n1 1651175683 IQPPSOWZYLFIFQ-UHFFFAOYSA-N 301.258 1.270 10 10 DDCE CC(=O)C(=O)[C@@]1(O)CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 1934974736 JMBYHJXGLHECGK-BLLLJJGKSA-N 313.394 1.981 10 10 DDCE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1[C@@H](N)c1ccccc1O 1936974446 NUVLMOUGAOAGGJ-HIFRSBDPSA-N 321.421 1.943 10 10 DDCE N[C@H]1C[C@@H](O)CN(Cc2c(O)cccc2Br)C1 2002696366 NYELSSCLPIWUKM-DTWKUNHWSA-N 301.184 1.049 10 10 DDCE CC1(C2CCN(CC(=O)Nc3ccc(N)cc3)CC2)OCCO1 2145802649 HWSTWEIRNTZARI-UHFFFAOYSA-N 319.405 1.682 10 10 DDCE C[C@@H](NCc1cc(F)ccc1O)[C@H]1CCCS(=O)(=O)C1 2146101618 YPQUPMVKKWETRD-MNOVXSKESA-N 301.383 1.834 10 10 DDCE CC(C)(C)OC(=O)N[C@](C)(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1CC1 1980375818 CMKWSGNBXGMWDF-ZMNCSTGQSA-N 324.421 1.945 10 10 DDCE CNC(=O)OCCNCc1ccc(Br)cc1O 1998211099 FYIRGXNBHCBZQH-UHFFFAOYSA-N 303.156 1.600 10 10 DDCE CN(Cc1c(O)cccc1F)[C@H]1CCCS(=O)(=O)CC1 2160777295 ZORCYUJQQKWLCW-NSHDSACASA-N 301.383 1.930 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3C[C@@]3(CO)C2)cc1Br 2029646251 NYODIRMXEQNVEH-ZANVPECISA-N 315.186 1.866 10 10 DDCE Cc1nc(C(=O)NCc2c(O)ccc3c2CCCC3)nn1C 2063586056 HASGKQRBLZMPGZ-UHFFFAOYSA-N 300.362 1.638 10 10 DDCE O=S1(=O)C[C@@H]2[C@@H](CCN2Cc2ccc(Cl)cc2O)C1 2094881798 AWKGHVACYTVMOM-CMPLNLGQSA-N 301.795 1.665 10 10 DDCE CSc1ncc(CNC(=O)[C@@H](C)O[C@H](C)C(=O)O)s1 2269121846 SBVNANMZKXTEOT-RNFRBKRXSA-N 304.393 1.359 10 10 DDCE NCc1ccc(N2CCC[C@H]3CNC(=O)[C@@H]32)cc1Br 2264594609 FGTAKUIJOXTSEG-GXFFZTMASA-N 324.222 1.623 10 10 DDCE COCCNCc1n[nH]c(=NCc2cnc(SC)s2)o1 2284678621 XKYFRRNLXVZLDJ-UHFFFAOYSA-N 315.424 1.018 10 10 DDCE COC(=O)C1(CS(=O)(=O)Nc2ccc(O)cc2Cl)CC1 2290077943 SXBKLPNZWPNZSO-UHFFFAOYSA-N 319.766 1.741 10 10 DDCE CC[C@H](CO)NC(=O)C=Cc1ccc(N2CCOCC2)cc1 2307031365 OUVRSWGCDODKFW-OAHLLOKOSA-N 304.390 1.424 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)cc1Cl 2336464637 GIECTQXPMTZWAB-KKFJDGPESA-N 301.795 1.627 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCCCNC2)s1 2350653381 SZRCFPKCPDLIAQ-GFCCVEGCSA-N 301.437 1.552 10 10 DDCE Oc1cc2c(cc1CNC[C@@H](O)Cc1ccccc1)OCO2 105492943 ZOXLJAHSMHFSTH-AWEZNQCLSA-N 301.342 1.814 10 10 DDCE COC(C)(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 171665603 ZRBDDYFBWRWQCC-UHFFFAOYSA-N 324.396 1.828 10 10 DDCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCNC(=O)CC1 65902576 INVQJZVXKXDVBC-UHFFFAOYSA-N 312.329 1.213 10 10 DDCE COc1cc(Cl)cc(CN2C[C@@H]3CS(=O)(=O)[C@H]3C2)c1O 2361696481 XARPLONIOJWLNN-SKDRFNHKSA-N 317.794 1.283 10 10 DDCE Oc1cc2c(cc1CN1CCC[C@@H](Cn3cncn3)C1)OCO2 128621789 QJPVDNXQKJYTLX-GFCCVEGCSA-N 316.361 1.625 10 10 DDCE Cc1cc(O)ccc1NS(=O)(=O)N1CCCC[C@@H]1C(=O)O 80357568 BQKIUCQMAPLKEV-GFCCVEGCSA-N 314.363 1.296 10 10 DDCE COC(=O)COc1ccc(N(C)CCN2CCOC[C@H]2C)cc1 192793544 OQBKEHNPFAJQCB-CQSZACIVSA-N 322.405 1.395 10 10 DDCE C[C@@H](N)c1cc(I)cc([N+](=O)[O-])c1O 238423873 NUIBDWGRNNLXGY-SCSAIBSYSA-N 308.075 1.925 10 10 DDCE C[C@@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCC(=O)NC1 281390253 XXOCXHFNVQNEFG-GOSISDBHSA-N 315.417 1.819 10 10 DDCE COc1ccc(C[C@@H](C)C(=O)OCC(=O)C(C)=O)cc1OC 808535248 DFVQMFLYBBRELE-SNVBAGLBSA-N 308.330 1.584 10 10 DDCE COCC(=O)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 294897068 MEFASWHQSVSSMP-UHFFFAOYSA-N 316.760 1.475 10 10 DDCE CCN1CC[C@@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1=O 801799851 MSLHBCNCBYASTP-GXFFZTMASA-N 321.377 1.382 10 10 DDCE O=C(O)C1CC(S(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 723269021 UKUNXBZCHQUBSM-UHFFFAOYSA-N 305.739 1.651 10 10 DDCE CCOc1ccc(O)c(CN2CCN([C@H]3CCOC3)CC2)c1 827118539 CTIPCFXNPDOZMX-HNNXBMFYSA-N 306.406 1.697 10 10 DDCE COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C 839917494 DWCIPZLTNGZBEO-UHOFOFEASA-N 318.417 1.917 10 10 DDCE C[C@@H](NS(=O)(=O)C[C@@]12CCCN(CC1)C2)c1ccccc1O 919116917 AGEPJMBVTWZNDN-CJNGLKHVSA-N 324.446 1.859 10 10 DDCE CC[C@H](C(=O)O)N(C)Cc1ccc(N2CCN(C)CC2)cc1 844936578 JINFWGOPQSHGPD-MRXNPFEDSA-N 305.422 1.733 10 10 DDCE CC(C)(C)[S@@](=O)CCNC(=O)NCc1c(O)cccc1F 919187266 VZHQMUBTCVUWKB-NRFANRHFSA-N 316.398 1.878 10 10 DDCE COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@H](C)N)CC2)cc1 842005640 OFONANINIKMMQW-UONOGXRCSA-N 320.437 1.653 10 10 DDCE COCCC(=O)NCc1cc(NC(=O)CCOC)ccc1O 923121941 ICPHOTQNXPRYGD-UHFFFAOYSA-N 310.350 1.020 10 10 DDCE C[C@H](N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cc([N+](=O)[O-])ccc1O 756733467 ROPSFSIKOWGVJT-FBKDDSFISA-N 319.361 1.960 10 10 DDCE COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1cccc(OC)c1O 862516019 IOFBGBMYHGLUCL-TZMCWYRMSA-N 323.389 1.849 10 10 DDCE CCCn1nc(C(=O)NCc2ccc(N(C)C)cc2)ccc1=O 1088003927 PCLBCDNOMGKTTB-UHFFFAOYSA-N 314.389 1.649 10 10 DDCE O=S1(=O)C[C@H]2C(CNCc3cccc(Cl)c3O)[C@@H]2C1 2117988791 QVRMEGMSFVCUHR-QWRGUYRKSA-N 301.795 1.426 10 10 DDCE COC(=O)c1ccc2c(c1)CCN2C(=O)/C=C/c1cn(C)cn1 1353329849 GJBTXESLTLBPGQ-GQCTYLIASA-N 311.341 1.809 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCCN(C(=O)[C@H]2CCS(=O)(=O)C2)C1 1912147923 MSVPNOXAQWYVGE-QWRGUYRKSA-N 300.384 1.360 10 10 DDCE CC(C)O[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@H](N=[N+]=[N-])C1 1912164748 YHVWNCAMDRYLKK-QJPTWQEYSA-N 302.400 1.352 10 10 DDCE [N-]=[N+]=N[C@H]1CCN(CCS(=O)(=O)N2CCCCCC2)C1 1912203839 SMLHXCIMFJGFNI-LBPRGKRZSA-N 301.416 1.577 10 10 DDCE COc1cc(C(=O)NCc2c(O)cccc2O)cc(OC)c1O 1456237644 VQFHYEQSYFJWEN-UHFFFAOYSA-N 319.313 1.751 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCOc1cncc(Cl)c1 1467962186 HPHPORQLHZFSSN-UHFFFAOYSA-N 322.748 1.884 10 10 DDCE COC(=O)c1cccc(C(=O)NCc2cc(O)ccc2O)n1 1471661662 XAUFNEDSAQXOQL-UHFFFAOYSA-N 302.286 1.209 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@@H](C2CCC2)C1 1624984748 MSTCZNYTLUAQOV-AWEZNQCLSA-N 305.374 1.915 10 10 DDCE C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C(N)=O)C1 1556289077 NQSCICKUWTXRAY-JOYOIKCWSA-N 317.349 1.575 10 10 DDCE Cn1cnnc1CCCNC(=O)c1ccc(N=NC(N)=O)cc1 1569503574 UPFWHWBXERKWTC-UHFFFAOYSA-N 315.337 1.340 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2ccc(Cn3ccnn3)o2)c1 1633286555 HMNHVOKINXFFMN-UHFFFAOYSA-N 312.329 1.863 10 10 DDCE O=C(CNC(=O)CC1CCCC1)NCc1cc(O)ccc1O 1593872757 CPRAFJAMYIUACT-UHFFFAOYSA-N 306.362 1.411 10 10 DDCE C[C@@H](N)c1ccc(N2CCOC[C@H]2CO)c(Br)c1 168238134 JVYGDFZGEYKCRD-MWLCHTKSSA-N 315.211 1.666 10 10 DDCE COc1ccc(C)cc1NC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878588 IXQSSOJLUCVTDX-UHFFFAOYSA-N 324.344 1.814 10 10 DDCE O=C(O)[C@H]1CCCN1C(=O)CNCc1cc(Cl)ccc1O 1857868468 KWIPWGPZQMMMCY-LLVKDONJSA-N 312.753 1.211 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCCN1c1ccc(CO)cc1F 2151287894 HEKGYCYSHHCRSR-LBPRGKRZSA-N 301.383 1.722 10 10 DDCE O=C(O)C1(F)CN(Cc2ccc(Br)cc2O)C1 2008816160 PXFDTUSPGGKIHO-UHFFFAOYSA-N 304.115 1.763 10 10 DDCE NCc1ccc(N2CCOC[C@H](O)C2)c(Br)c1 399955925 XJEWWUJYMCHTAC-SNVBAGLBSA-N 301.184 1.105 10 10 DDCE CC(C)OCC[S@@](=O)C[C@@H](O)COc1ccc(N)cc1 2184700720 NSRBNOSMYKTBLV-RNODOKPDSA-N 301.408 1.182 10 10 DDCE C[C@@]1(CNCc2cccc(F)c2O)CCCS(=O)(=O)C1 2194275570 AIIMULTVCRNLNI-AWEZNQCLSA-N 301.383 1.836 10 10 DDCE CN(C1CSC1)S(=O)(=O)CCOc1ccc(N)cc1 2088826668 ZNDRYYJFDJBOBF-UHFFFAOYSA-N 302.421 1.025 10 10 DDCE CSc1ncc(CNC(=O)NC[C@@H](C)CC(=O)O)s1 2269136250 XTRAUSKZGDKMKI-ZETCQYMHSA-N 303.409 1.775 10 10 DDCE CCN[C@@H]1COC[C@@H]1C(=O)NCc1cnc(SC)s1 2269206331 YQGBQDWNHMEDIT-VHSXEESVSA-N 301.437 1.106 10 10 DDCE Nc1cc(NS(=O)(=O)C[C@@H]2C[C@@H]2C(F)(F)F)ccc1O 2236141003 HBZCQOKMYSWJGX-XPUUQOCRSA-N 310.297 1.915 10 10 DDCE CNCc1ccc(N2CC[C@H]2[C@@H](O)CO)c(Br)c1 2258346130 PBCWIBVDBJIQAC-STQMWFEESA-N 315.211 1.100 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@@H](CC(=O)O)C2)s1 2284536367 FQTWMOKNPPINOB-QMMMGPOBSA-N 315.420 1.871 10 10 DDCE CCN(CC)c1ccc(C=c2sc3nc(C)nn3c2=O)cc1 2326099369 CHTKUHILBHDYQE-UHFFFAOYSA-N 314.414 1.853 10 10 DDCE Cc1ccc(CN(C)C(=O)/C=C\CN)c(O)c1Br 2327603554 RCUZTPUZQAOUGW-ARJAWSKDSA-N 313.195 1.936 10 10 DDCE Cc1ccc(CN(C)C(=O)C2(O)CC2)c(O)c1Br 2327603314 PFZLBXYNTGAZHL-UHFFFAOYSA-N 314.179 1.946 10 10 DDCE Oc1cccc(Br)c1CNC[C@H]1COC[C@H]1O 1948508569 TWVLSQCDKQLFEO-QPUJVOFHSA-N 302.168 1.252 10 10 DDCE COc1ccc(O)c([C@H](C)NC[C@H](O)CN2CCCCC2)c1 185114978 YSZIAOYOEHUFNY-KBPBESRZSA-N 308.422 1.898 10 10 DDCE Oc1ccc(I)cc1[C@@H]1NCC[C@H]1O 1952068769 PPAFASGSZNCTKD-ZJUUUORDSA-N 305.115 1.392 10 10 DDCE CCCNC(=O)N1CCN(c2ccc3c(c2)OCCO3)CC1 41380218 VXXDXRGNNUZONI-UHFFFAOYSA-N 305.378 1.699 10 10 DDCE CCOC(=O)[C@@H]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 280629481 GXEWJCSZZNVYMC-IVBLRQQYSA-N 319.357 1.959 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(Oc2cnccn2)c1 808518463 CJAXQYCVLFUDQH-UHFFFAOYSA-N 300.270 1.584 10 10 DDCE Cc1cc(Cl)cc(CNC[C@@]2(OCCO)CCOC2)c1O 826943734 ZOFZWMQRXCTOPS-HNNXBMFYSA-N 315.797 1.612 10 10 DDCE COc1ccc(O)c(CN[C@H]2CNCC3(CCOCC3)C2)c1 903972107 GRSNZWSOMGVRAS-CQSZACIVSA-N 306.406 1.649 10 10 DDCE CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 907275011 UXZNXSCCWCPIEG-KGYLQXTDSA-N 321.373 1.734 10 10 DDCE CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H]1CO 913540074 NVJMVKQCWGTHEW-SNVBAGLBSA-N 322.386 1.061 10 10 DDCE C[C@H](NC[C@H]1CC2(CCNCC2)C(=O)O1)c1ccccc1O 925857429 ZSZRQTMNPBFLOD-QWHCGFSZSA-N 304.390 1.728 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)c2ccc(CN)cc2)cc1 841845822 FIQKWNAWHVSAFT-QGZVFWFLSA-N 312.417 1.641 10 10 DDCE CSC[C@H]1NC(=O)N(Cc2ccc3c(c2)CCCN3C)C1=O 924542590 KSKDDJGUZHYMPW-CYBMUJFWSA-N 319.430 1.852 10 10 DDCE COc1ccc(N2CCC(NC[C@H]3COCCN3C)CC2)cc1 858277256 CQRGHELYXJSNFH-KRWDZBQOSA-N 319.449 1.584 10 10 DDCE C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@@H]1[C@H]2CN[C@H]1C2 925762127 HPVHQEWUJIEMET-SKWUIDRYSA-N 314.477 1.524 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cc(C(C)(C)N)no2)cc1 852854920 BESQRYQRPGUTTG-UHFFFAOYSA-N 302.378 1.864 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C3(C(C)=O)CC3)C2)cc1 855227677 XVXZXCLZRRHNRI-CYBMUJFWSA-N 302.374 1.759 10 10 DDCE NCCCOCCNCc1ccc(N2CCOCC2)c(F)c1 863485117 UQPRHYRIXYTBBW-UHFFFAOYSA-N 311.401 1.117 10 10 DDCE Oc1ccc2ccncc2c1CN1CCO[C@@]2(CCOC2)C1 768898254 GDPMMOHRXKOAGV-KRWDZBQOSA-N 300.358 1.932 10 10 DDCE COC(=O)CCNC(=O)CCNCc1cccc(Cl)c1O 862528524 YBYYKRSISYAGFO-UHFFFAOYSA-N 314.769 1.205 10 10 DDCE O=C(NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42)c1cc(O)cs1 787928756 YXELWRQZOGKZMY-OIUKURFNSA-N 317.410 1.692 10 10 DDCE CNC(=O)[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 896430754 YFIGLSFURTYMLA-VIFPVBQESA-N 320.370 1.663 10 10 DDCE CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)c2cc(O)cs2)C1 898536763 NSGXJZLKJGQIKX-LDYMZIIASA-N 301.339 1.817 10 10 DDCE COc1ccc(N2CCCN(c3cnc(O)nc3O)CC2)cc1 1321762173 ODIOAIYEFHVMLY-UHFFFAOYSA-N 316.361 1.613 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)N1CCC(O)CC1 1914145495 CTNFEVVWEUWOEC-UHFFFAOYSA-N 306.771 1.159 10 10 DDCE COC(=O)c1ccccc1CNC(=O)Cc1ccc(O)c(O)c1 1448195625 VDVZYOCTVZCKOA-UHFFFAOYSA-N 315.325 1.743 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1coc2c1C(=O)NCCC2 1445904811 YRIWFKHPUDUKFN-UHFFFAOYSA-N 316.313 1.297 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CNCC(F)(F)F 1297562688 PCFHBEIXTQHLNN-UHFFFAOYSA-N 311.300 1.646 10 10 DDCE COc1cccc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 1466791318 RIXSEXBMVZNAPF-NSHDSACASA-N 316.357 1.791 10 10 DDCE CCN(CC)c1ccc(CNC(=O)c2cnncc2O)cc1 1543179739 UPQMWWPRDFCRQA-UHFFFAOYSA-N 300.362 1.958 10 10 DDCE COc1cccc2c(C(=O)NCc3c(O)cccc3O)n[nH]c12 1558535848 QJRVMBYOKSZQQI-UHFFFAOYSA-N 313.313 1.913 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCc3cncn3C2)cc1 1638796887 MEIQCWPSEZMRGG-GFCCVEGCSA-N 312.333 1.790 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)[C@H]2C[C@@H]2C)cc1C 1568575458 YXUVFGBPZDPJPE-CQDKDKBSSA-N 306.406 1.226 10 10 DDCE COc1ccc(CNC(=O)c2cnn(-c3ccncc3)c2)c(O)c1 1568097548 LEGOVYWSOYOZIW-UHFFFAOYSA-N 324.340 1.912 10 10 DDCE COc1cc(CN2CCS(=O)(=O)C(C)(C)C2)c(O)cc1C 160391966 ZOLJZPLUDQIDET-UHFFFAOYSA-N 313.419 1.718 10 10 DDCE C[C@@H](O)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C 1866098087 AZKUEKUNKSEWPC-BXUZGUMPSA-N 302.378 1.073 10 10 DDCE CN(O)C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1951353785 XVTXIHPRCLGUOF-LLVKDONJSA-N 312.366 1.855 10 10 DDCE CN(CCNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(N)cc1 1977897211 PMMFCOINICTKAF-UHFFFAOYSA-N 322.409 1.664 10 10 DDCE O=C1Nc2cc(N3CCOC(F)(F)C3)c(Cl)cc2[C@@H]1O 2152275277 RWJDIXZLVCKPFN-JTQLQIEISA-N 304.680 1.755 10 10 DDCE O=S1(=O)CCCCN1CCNCc1c(O)cccc1Cl 405498846 RNAOCNVHKJFOKR-UHFFFAOYSA-N 318.826 1.561 10 10 DDCE C[C@H]1CN(C)C[C@H](C(=O)NCc2c(O)ccc3ccccc23)O1 2062366997 DEXAHCTXJGUKBG-YVEFUNNKSA-N 314.385 1.881 10 10 DDCE CCN(CC)[S@@](C)(=O)=NS(=O)(=O)Cc1ccc(N)cc1 2167406712 MCMLFURQZGDMQZ-IBGZPJMESA-N 319.452 1.453 10 10 DDCE CSc1ncc(CNC(=O)N2CC(F)(C(=O)O)C2)s1 2269101890 VXULDMPGWBMHJX-UHFFFAOYSA-N 305.356 1.183 10 10 DDCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1ccccn1 2297511436 KWNQIUZTZWSXOE-UHFFFAOYSA-N 308.297 1.660 10 10 DDCE Cc1ccc(CN(C)CCOCCN)c(O)c1Br 2327622534 YTLNRMTXPRYWPS-UHFFFAOYSA-N 317.227 1.870 10 10 DDCE Cc1ccc(CNC(=O)[C@H](F)CCN)c(O)c1Br 2327792277 IEEJLMIEZIWLGN-SECBINFHSA-N 319.174 1.766 10 10 DDCE Nc1ccc(NC(=O)CCC[S@@](=O)C2CCOCC2)cc1 62055823 BOOADSKKSGGTOK-NRFANRHFSA-N 310.419 1.915 10 10 DDCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCS1(=O)=O 127895346 OWWRETSJRAJKCU-CQSZACIVSA-N 324.446 1.142 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCCCn2ccnn2)c1 183555627 VUSMWAKYKWDUPW-LLVKDONJSA-N 319.365 1.443 10 10 DDCE CCOC(=O)Cc1sc(NN(C)S(=O)(=O)CC)nc1C 2365341645 NHUGIPDCGAWOMA-UHFFFAOYSA-N 321.424 1.166 10 10 DDCE CCOC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCN3C)C1 185778428 XDAYRZMYCGNWMP-OAHLLOKOSA-N 303.406 1.999 10 10 DDCE COc1cccc(CNCc2cc(C)nc(N(C)C)n2)c1O 188765067 AFCFIKWOPFTWJQ-UHFFFAOYSA-N 302.378 1.855 10 10 DDCE CCS(=O)(=O)N1CC(CN[C@H](C)c2cc(F)ccc2O)C1 190677772 HTVOYYPXEXTNCV-SNVBAGLBSA-N 316.398 1.463 10 10 DDCE CCCN(CC(=O)OCC)S(=O)(=O)Cc1ccc(N)cc1 42694020 CWGHFQOUKLSDGF-UHFFFAOYSA-N 314.407 1.374 10 10 DDCE COC[C@@H](O)CCN[C@H](C)c1ccc(N2CCOCC2)cc1 90949131 FYGKXPSINRLAMG-PBHICJAKSA-N 308.422 1.571 10 10 DDCE CN1CCC[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1=O 294682153 JUVBVYFZBPMMTA-GFCCVEGCSA-N 307.369 1.376 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CNCCC2(F)F)c1 817980302 KSKFJDAYPDPUFT-NOZJJQNGSA-N 314.332 1.827 10 10 DDCE O=C(C[C@H]1CCNC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 829002554 BSJNCZFEDJBEMV-ZBFHGGJFSA-N 318.417 1.899 10 10 DDCE CN1C[C@@H](N)C[C@@H]1c1cc(I)ccc1O 1952305929 FZDMGRAIPYUIGB-WCBMZHEXSA-N 318.158 1.701 10 10 DDCE COC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(N(C)C)cc2)C1 839468633 DLAABSMJPPNMNF-UONOGXRCSA-N 304.390 1.958 10 10 DDCE CN1CCCc2cc(CNC(=O)/C=C\Cn3cncn3)ccc21 900432622 GMUXHCUHSYKPGU-HYXAFXHYSA-N 311.389 1.533 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)n1cccn1 831924004 BHMHXMREKXDGEJ-LLVKDONJSA-N 303.362 1.777 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]([C@H](C)O)C2)c1O 839673079 UYYNACYVCQRGOR-IINYFYTJSA-N 313.781 1.830 10 10 DDCE CC(C)(C)OC(=O)N1CCN[C@@](C)(c2cc(O)nc(O)c2)C1 1952609924 YXMMOIFGEBOBJC-OAHLLOKOSA-N 309.366 1.548 10 10 DDCE CNC(=O)Cn1cc(NCc2c(O)cc(C)cc2Cl)cn1 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CWHFQCYXHCZFNM-GXTWGEPZSA-N 303.406 1.531 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CCC(C)(C)N)C2)cc1 851639388 FCPNVYDLKZSAAK-ZDUSSCGKSA-N 305.422 1.908 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3CSC[C@H]3C2)cc1 868309311 JIMIOPFXXFXZQK-GHMZBOCLSA-N 305.403 1.419 10 10 DDCE Cc1cc(Cl)cc(CN2CCn3c(CO)nnc3C2)c1O 775722814 CSISHVVDVDQNPI-UHFFFAOYSA-N 308.769 1.454 10 10 DDCE C[C@H](N[C@H](C)c1nc(N)nc(N(C)C)n1)c1ccccc1O 1175418155 GIHQVTILGQGIGZ-VHSXEESVSA-N 302.382 1.637 10 10 DDCE CCC[C@H](C)N1C[C@@H](C(=O)NCc2cc(O)ccc2O)CC1=O 1176748678 ZKULQWGQEDFVQM-AAEUAGOBSA-N 320.389 1.751 10 10 DDCE COc1cc(Br)cc([C@@H]2C[C@@H](O)CCN2)c1O 1906077481 IYQFWDYCXPYMIV-WPRPVWTQSA-N 302.168 1.949 10 10 DDCE COc1cccc(CNC(=O)c2ccc3ncn(C)c3n2)c1O 1445970193 QCVUPSHTBBMFKA-UHFFFAOYSA-N 312.329 1.613 10 10 DDCE CNCc1ccc(N(C)[C@H](C)C(=O)NC)c(Br)c1 1916839431 PVKAWKXIBOUGKR-SECBINFHSA-N 314.227 1.739 10 10 DDCE COC(=O)c1coc(/C=C/C(=O)NCc2ccc(O)c(O)c2)c1 1294868901 IFXKEVFKVGEUMW-HWKANZROSA-N 317.297 1.807 10 10 DDCE NC(=O)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 1294351388 CXGMPJOLPAONET-ZDUSSCGKSA-N 320.389 1.581 10 10 DDCE CN(C)Cc1cc([C@@H](N)CNC(=O)OC(C)(C)C)ccc1O 1536002548 MVKLFZYQHIYTRQ-ZDUSSCGKSA-N 309.410 1.978 10 10 DDCE CC1=NNC(=O)[C@@H]1CCNC(=O)c1ccc(N=NC(N)=O)cc1 1627152702 HTESHSCNFKJSLS-LLVKDONJSA-N 316.321 1.091 10 10 DDCE CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1C[C@@H](C(N)=O)C1 1557886942 CGWUCQGFSBESQM-DTORHVGOSA-N 320.370 1.648 10 10 DDCE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)N1CCC[C@@H](C)C1 1629994063 NRYSSDBUBMYUPU-OLZOCXBDSA-N 306.406 1.877 10 10 DDCE CC(=O)NCc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 1630273951 YTASZQBXEREKII-UHFFFAOYSA-N 314.341 1.664 10 10 DDCE CC(C)c1noc(CCC(=O)NCc2ccc(O)cc2O)n1 1630301528 DPHOVVOPUAVBPT-UHFFFAOYSA-N 305.334 1.853 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCOC12CCOCC2 1637047845 KHDGEHALISRYMX-CQSZACIVSA-N 307.346 1.095 10 10 DDCE NC(=O)c1ccc(C(=O)NCc2cccc(O)c2O)nc1Cl 1644711312 XILDTQOVVYWDHU-UHFFFAOYSA-N 321.720 1.175 10 10 DDCE Cc1c(OCCO)c(=O)ccn1CCOc1ccc(N)cc1 1857919760 WCMMENGIKLMPBV-UHFFFAOYSA-N 304.346 1.189 10 10 DDCE CCc1c(OCc2ccc(N)cc2)c(=O)ccn1CCCO 1857913485 KSWRYHPANCAJOM-UHFFFAOYSA-N 302.374 1.954 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@H](F)C2)cc1Br 1944301831 QYIHKQYZOUXUJQ-NZXMKCKXSA-N 303.175 1.988 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)[C@H]1CCc2nncn2CC1 880539963 NEOOURAJQOSISD-JTQLQIEISA-N 320.780 1.906 10 10 DDCE C[C@@H](NCc1cccc(Cl)c1O)[C@@H]1CCS(=O)(=O)C1 898214622 FZQLXRKEDOFXAC-MWLCHTKSSA-N 303.811 1.958 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cc(O)c(O)c(O)c1 1951374411 FGGFVVHRLDQKNJ-MRVPVSSYSA-N 313.306 1.844 10 10 DDCE C[C@@H](N)c1ccc(N2CCC[C@@H](S(C)(=O)=O)C2)c(F)c1 312917979 CIHZYKTZDRKXDJ-ZYHUDNBSSA-N 300.399 1.859 10 10 DDCE CC=C[C@H](O)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 2059304624 USQKITNUZZCPAD-AWEZNQCLSA-N 308.353 1.420 10 10 DDCE CCOC(=O)c1c(C2CCC2)nn2c(O)cc(CC(=O)O)nc12 2080933245 FWKZEYKRJWXGBO-UHFFFAOYSA-N 319.317 1.506 10 10 DDCE COc1ccc(O)c(CN[C@H](C)CS(=O)(=O)C(C)C)c1 2170586503 UXOIFQQIJAGJTM-LLVKDONJSA-N 301.408 1.702 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1Br 2043130135 WUPXFYQXGNHGDP-LSJOCFKGSA-N 315.211 1.401 10 10 DDCE NC(=O)[C@@H]1[C@H]2CN(c3ccc(CO)c(Br)c3)C[C@H]21 2081418992 QNDFEAVJSBCOLJ-IAZYJMLFSA-N 311.179 1.109 10 10 DDCE C[C@H](NCc1ccc(F)cc1O)[C@@H]1CCCS(=O)(=O)C1 2204747578 SRZDFZUDJRNQIL-CMPLNLGQSA-N 301.383 1.834 10 10 DDCE CSc1ncc(CNC(=O)C2(C(=O)O)CCOCC2)s1 2284548545 AUYLMBQTECBVMQ-UHFFFAOYSA-N 316.404 1.363 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2ccccc2N)s1 2269092594 JEXCYAMJTPZMHV-UHFFFAOYSA-N 315.445 1.926 10 10 DDCE CN[C@@H]1CC[C@H]1CS(=O)(=O)NCc1cnc(SC)s1 2269097335 CJTYNZARBOMSQY-WCBMZHEXSA-N 321.493 1.282 10 10 DDCE COc1cc(OC)c(N2C[C@@H](OC)C[C@H]2CN)cc1Cl 2285851417 QLMRPPWLCPYYLL-UWVGGRQHSA-N 300.786 1.910 10 10 DDCE COc1cc(OC)c(N2C[C@@H](O)C[C@@]2(C)CO)cc1Cl 2285920149 PTRCIMIEEVQMML-XPTSAGLGSA-N 301.770 1.679 10 10 DDCE O=C1NC(=O)C(=CC=Cc2coc3ccccc3c2=O)C(=O)N1 2297453982 SARBGMZDABSEEL-UHFFFAOYSA-N 310.265 1.099 10 10 DDCE C[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)C(=O)N1CCCCC1 2307987149 HHBAJDOMPDWLDE-LBPRGKRZSA-N 318.373 1.628 10 10 DDCE C[C@@H](N)c1ccc(N(C)CCOCCO)c(Br)c1 302356729 KNLIQQDAIJFBQC-SNVBAGLBSA-N 317.227 1.914 10 10 DDCE Cc1cc(C(=O)N[C@H]2CCCNC2=O)c(C)n1-c1ccccn1 64099038 UIUCBPFKRNBBKA-AWEZNQCLSA-N 312.373 1.498 10 10 DDCE COCCN1CCCN(Cc2cccc(Cl)c2O)CC1=O 191702985 APVMWDGWFRMWKD-UHFFFAOYSA-N 312.797 1.726 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2CC[C@H]2S(C)(=O)=O)c1O 2368549158 JQXRFCLYMJZZKE-CMPLNLGQSA-N 319.810 1.719 10 10 DDCE CNC(=O)NC[C@H]1CN(Cc2cc(C)cc(C)c2O)CCO1 530104346 OBOLBCIQWFRYTJ-AWEZNQCLSA-N 307.394 1.139 10 10 DDCE CC[C@H](NC[C@@]1(CO)COCCN1C)c1ccc(N(C)C)cc1 903282398 SUJPAODCHXWKGQ-ZWKOTPCHSA-N 321.465 1.486 10 10 DDCE C[C@H]1CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CC(C)(C)O1 846240493 AZRFNJHIJFLQIE-VIFPVBQESA-N 320.349 1.132 10 10 DDCE CCON(C)C(=O)CNCc1ccc(N2CCOCC2)cc1 846065283 SVTNPDIRQUQZMK-UHFFFAOYSA-N 307.394 1.023 10 10 DDCE Cc1ccc(C(=O)N(C[C@H]2CCC(=O)N2)C(C)C)c(O)c1O 840559664 NQEQZSBEPCVLDO-LLVKDONJSA-N 306.362 1.535 10 10 DDCE Cc1ccc(C(=O)NC[C@]23OCCC[C@H]2C3(F)F)c(O)c1O 855783831 WNCMTQAKWGMWBU-YGRLFVJLSA-N 313.300 1.950 10 10 DDCE C[C@@H]1[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CCN1C 922556916 KGHXJEYFHHYHTI-CJNGLKHVSA-N 307.413 1.845 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)C=C2CCNCC2)cc1 852895772 IXXRTWSZBCMSMS-UHFFFAOYSA-N 317.433 1.900 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1C[C@H]2C=C[C@H]1O2 930519341 KJXWDKDUZGBMBE-IXDOHACOSA-N 314.385 1.483 10 10 DDCE Cc1c(/C=C2/SC(N3CCOCC3)=NC2=O)ccnc1F 863181559 NJDQAQBQARMJNU-DHZHZOJOSA-N 307.350 1.832 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CCO[C@@H](C(F)F)CC1 872266716 CJRIWSLXVLZCIS-SECBINFHSA-N 305.252 1.733 10 10 DDCE NC(=O)C1CCN(c2ccc(CNC(=O)C3(F)CC3)cc2)CC1 1119449679 ZNUTVXMJBJWNTO-UHFFFAOYSA-N 319.380 1.507 10 10 DDCE Oc1cc2c(cc1CN1C[C@H](O)CC3(CCOCC3)C1)OCO2 895722179 TUOJBDFKRVKBGZ-CYBMUJFWSA-N 321.373 1.484 10 10 DDCE Nc1ccc(Cn2c(=O)c(-c3cccs3)nn3cnnc23)cc1 82719391 SQAZQIJXQWVAMY-UHFFFAOYSA-N 324.369 1.645 10 10 DDCE Oc1cc(Br)ccc1CN[C@@H]1CCOC[C@@H]1O 706774940 GQXDZVOADVYPLS-PWSUYJOCSA-N 302.168 1.394 10 10 DDCE C[C@@H](CNCc1ccc(Br)cc1O)c1nn[nH]n1 691395320 MEXQFKQXOIGLNK-ZETCQYMHSA-N 312.171 1.561 10 10 DDCE CCO[C@H]1C[C@](CO)(NC(=O)Cc2ccc(O)c(O)c2)C1(C)C 1154413043 HOUIEDBMQBSJNK-WMLDXEAASA-N 323.389 1.323 10 10 DDCE O=S1(=O)C[C@@H]2C(CNCc3cccc(Cl)c3O)[C@H]2C1 2117988788 QVRMEGMSFVCUHR-GHMZBOCLSA-N 301.795 1.426 10 10 DDCE COc1ccc(CNCCN(C)C(=O)CN(C)C(C)C)cc1C 1267117722 VSBLIYJMSPCJDE-UHFFFAOYSA-N 321.465 1.892 10 10 DDCE COCCCNC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1275467122 DPIOZEWYFCTDFF-NSHDSACASA-N 321.381 1.593 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)C2CC=CC2)cc1C 1716082574 MCFQXZQFHNRQRB-INIZCTEOSA-N 318.417 1.537 10 10 DDCE O=C1C[C@H](Oc2ccccc2NC(=O)c2cc(O)cs2)N1 1638456239 WUMJDDVYSKCDLM-ZDUSSCGKSA-N 304.327 1.931 10 10 DDCE O=C1C[C@@H](Oc2cccc(NC(=O)c3cccc(O)c3O)c2)N1 1639038709 MDWLWUZHQLZCSB-CQSZACIVSA-N 314.297 1.575 10 10 DDCE COC(=O)c1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)no1 1633820007 YXLMLEOMJHJIAU-QMMMGPOBSA-N 320.301 1.233 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1ccc2nc(CO)[nH]c2c1 1635958842 APVLMHHSXDLOHQ-UHFFFAOYSA-N 313.313 1.396 10 10 DDCE CC(=O)C(=O)[C@@H](O)c1ccc(I)cc1 1929139965 GNHSZUKWGFWFAL-JTQLQIEISA-N 304.083 1.483 10 10 DDCE Cn1cnc(CCCNC(=O)c2ccc(N=NC(N)=O)cc2)n1 1570701321 PWTNVVCYMUAWDG-UHFFFAOYSA-N 315.337 1.340 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@H](CO)C2)c([N+](=O)[O-])c1 1773104404 OXRONUCCOQYZLQ-FHMRSRPSSA-N 306.318 1.600 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2[nH]cnc2C)cc1C 1690654199 KLGNYRPPTMAJEH-LBPRGKRZSA-N 316.405 1.943 10 10 DDCE CC(C)(C)OC(=O)N1CCN(NCc2ccc(O)c(O)c2)CC1 1936577566 SFEKCUGQPNSMTP-UHFFFAOYSA-N 323.393 1.655 10 10 DDCE CCOc1cccc(CNCC(=O)N2CCN(CC)CC2)c1O 1857866984 NIMRPSNHANRKLV-UHFFFAOYSA-N 321.421 1.045 10 10 DDCE COc1ccc(CN=c2cc(Br)n(C)[nH]2)c(O)c1 2038250334 GFNYIEDOUPXAJG-UHFFFAOYSA-N 312.167 1.931 10 10 DDCE O=C(O)[C@H]1CNCCN1Cc1ccc(Br)cc1O 691489203 GDEITAWZZKJUCF-SNVBAGLBSA-N 315.167 1.013 10 10 DDCE NCc1ccc(N(CCO)CCCO)c(F)c1Br 385376134 UUSIPXLRTHSISK-UHFFFAOYSA-N 321.190 1.228 10 10 DDCE Cn1cc(Br)[nH]c1=NCCOc1ccc(N)cc1 2044149894 OGMJJDVISSXBDK-UHFFFAOYSA-N 311.183 1.678 10 10 DDCE CN1CC[C@H](NCc2ccc(Br)cc2O)CC1=O 2068226656 LOOCCIXUAICPET-NSHDSACASA-N 313.195 1.865 10 10 DDCE CC(C)NCCCS(=O)(=O)N[C@H](C)c1ccccc1O 2192630934 CCSUXPIEVAJJFV-GFCCVEGCSA-N 300.424 1.761 10 10 DDCE Cn1nc(C(=O)NCCc2ccc(N)cc2)cc1Br 2094083578 DPACTSCRVRCVNX-UHFFFAOYSA-N 323.194 1.737 10 10 DDCE CSc1ncc(CNC(=O)NC[C@H](C)CC(=O)O)s1 2269119986 XTRAUSKZGDKMKI-SSDOTTSWSA-N 303.409 1.775 10 10 DDCE COC[C@@H](C)OC[C@H](O)CNCc1cnc(SC)s1 2269199693 KHPFKRJMXGAWDC-NXEZZACHSA-N 306.453 1.367 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H](F)C[C@H]2C(=O)O)s1 2284504105 JOWPDUPHCZUONY-XPUUQOCRSA-N 319.383 1.572 10 10 DDCE CCOC(=O)c1cnc(NN(C)S(=O)(=O)C2CC2)s1 2339722720 LXCBYTJSFXZPRD-UHFFFAOYSA-N 305.381 1.071 10 10 DDCE CCCc1nc(NN(C)S(C)(=O)=O)sc1C(=O)OC 2339729913 CPGCFJPTSOKUKE-UHFFFAOYSA-N 307.397 1.101 10 10 DDCE O=S(=O)(C[C@@H]1N[C@@H]2CC[C@H]1C2)Nc1ccc(O)c(Cl)c1 2355770471 PLSDNAMLEDSVKI-SBMIAAHKSA-N 316.810 1.928 10 10 DDCE CCN[C@@H](c1ccc2c(c1)CCN2C)[C@@H]1CCS(=O)(=O)C1 50286275 MJWRWIYZQXMOLE-ZBFHGGJFSA-N 308.447 1.764 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)c1ccc(=O)[nH]c1 37840980 UUJKYNVMADWORW-JTQLQIEISA-N 308.359 1.462 10 10 DDCE C[C@@H](N)c1cc(F)c(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c(F)c1 2361611974 MVVHHYFONGDYTN-FDOIEUKUSA-N 302.346 1.218 10 10 DDCE CN(C)c1ccc(CNC(=S)NCCN2CCOCC2)cc1 38428429 SIQUSFAYYUPKLL-UHFFFAOYSA-N 322.478 1.049 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)[C@H](CC(C)C)NS(C)(=O)=O 2362988285 IOPBSCNYCHSUJL-JTQLQIEISA-N 305.404 1.109 10 10 DDCE C[C@@H](O)CN(CCO)c1ccc(CN)cc1Br 380049824 LNUNCAJGLUSJGZ-SECBINFHSA-N 303.200 1.087 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 40330357 YVGLMZFHEXTSIZ-LSDHHAIUSA-N 310.419 1.742 10 10 DDCE C[C@H](NCCCS(=O)(=O)N(C)C)c1cc(F)ccc1O 2367617866 DVIQBFBPDVUQBO-JTQLQIEISA-N 304.387 1.463 10 10 DDCE C[C@@H](CO)N(C)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 228529579 GSCQFXVYTMYKKD-UPONEAKYSA-N 314.183 1.218 10 10 DDCE CC[C@@](C)(NCc1cccc(Br)c1O)C(N)=O 383804351 OJVSGCOOPVWNSR-GFCCVEGCSA-N 301.184 1.898 10 10 DDCE Cc1cc(I)cc([C@H](N)CCO)c1O 238545601 ZJTQIYRIVNFKRW-SECBINFHSA-N 307.131 1.687 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)COCc1nncn1C 293398708 NYGODNZJMIMYRK-UHFFFAOYSA-N 318.377 1.476 10 10 DDCE COC[C@@H](CCCN)N[C@H](C)c1ccc(N2CCOCC2)cc1 817891688 NJTRAFVCZXIHID-NVXWUHKLSA-N 321.465 1.928 10 10 DDCE N[C@H](c1cc(Cl)cc(Br)c1O)[C@@H](O)C(=O)O 1894483299 WNMAXEMYWRPRRK-HTRCEHHLSA-N 310.531 1.253 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)O[C@H]3CCOC3)C2)cc1 917168215 APMGANSEQKOKIB-DOMZBBRYSA-N 306.362 1.789 10 10 DDCE Cc1cc(O)c(CN2CCC(S(N)(=O)=O)CC2)c(Cl)c1 840938025 CHRHZUNDNCJACP-UHFFFAOYSA-N 318.826 1.607 10 10 DDCE Fc1cc(CN(C2CC2)[C@H]2CCNC2)ccc1N1CCOCC1 843055010 CWINMZQWDFNTOO-INIZCTEOSA-N 319.424 1.989 10 10 DDCE COC(=O)[C@]1(OC)CCN(Cc2ccc(N(C)C)c(C)c2)C1 859557277 SMIPIILOTNOWSA-KRWDZBQOSA-N 306.406 1.825 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN1CCOC1CCS(=O)(=O)CC1 2179614264 VWDRWECXBFDFIX-LLVKDONJSA-N 302.400 1.355 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@H]1COCCN1C1CCCC1 928707606 FYXLAWAFDDCIDV-OAHLLOKOSA-N 322.380 1.791 10 10 DDCE O=C(NCc1c(O)cccc1F)C1(C(=O)NC2CC2)CCC1 928711183 GLLQNTMZJCDKCA-UHFFFAOYSA-N 306.337 1.596 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC(CF)CF)C2)cc1 852364629 VVCKOJRLRPHZNV-LLVKDONJSA-N 313.348 1.881 10 10 DDCE C[C@@H]1CCC[C@H](CNC(=O)C(=O)NCCc2ccc(N)cc2)O1 851688215 SYXXRBVXDXIQEZ-IUODEOHRSA-N 319.405 1.001 10 10 DDCE OC[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCOC1 930719740 DPYHZKZYCSHXBL-AEFFLSMTSA-N 320.433 1.400 10 10 DDCE O=C(CC(=O)N1Cc2cccc(O)c2C1)NCC(F)(F)F 871204401 HVRSMHXIKJEFSG-UHFFFAOYSA-N 302.252 1.303 10 10 DDCE C[C@H](O)CN(CCO)c1cc(Br)c(CN)cc1F 394058891 INSUMCDQLCPGMZ-QMMMGPOBSA-N 321.190 1.226 10 10 DDCE CNCc1ccc(N(C)[C@H]2COC[C@H]2O)cc1Br 708074463 CRORVBASCABPTN-QWHCGFSZSA-N 315.211 1.364 10 10 DDCE NCc1ccc(N2CC[C@@]3(CCCS3(=O)=O)C2)c(Cl)c1 709575863 RCTBKSAJPFZEDO-AWEZNQCLSA-N 314.838 1.956 10 10 DDCE COC(=O)[C@H](Cc1cncs1)NC(=O)c1cccc(O)c1O 1154184395 YLJPAHFCRYUUDJ-JTQLQIEISA-N 322.342 1.068 10 10 DDCE CO[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H](C)C1 1329494085 LDBMJDOSGSVDCD-DGCLKSJQSA-N 318.373 1.260 10 10 DDCE COc1ccc(CNCCN(C)C(=O)CC(C)(C)O)cc1C 1267366311 DCPULYUUYBXEBQ-UHFFFAOYSA-N 308.422 1.713 10 10 DDCE CC(=O)NC1CCC(C(=O)NCc2c(O)cccc2F)CC1 1263935490 FTIIKICEFHPBEJ-UHFFFAOYSA-N 308.353 1.842 10 10 DDCE CC1(C)CCCN(S(=O)(=O)N2CC[C@H](CN=[N+]=[N-])C2)C1 1912194956 XATJPEIXMJOHJE-LLVKDONJSA-N 301.416 1.985 10 10 DDCE C[C@@H](CC(N)=O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1440716265 VSUBKFKTBULMHN-ZDUSSCGKSA-N 303.406 1.757 10 10 DDCE CNC(=O)[C@@H](C)N(C)c1ccc(CO)c(Br)c1 1916211030 AQJXQXDOWJAOIE-MRVPVSSYSA-N 301.184 1.512 10 10 DDCE CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCc1c(O)cccc1O 1456323386 RKRGXIPULLGBNW-ZANVPECISA-N 310.350 1.485 10 10 DDCE CN1C(=O)CCN(C(=O)/C=C\c2cn(C)cn2)c2ccccc21 1538771581 FQBWAWZRJWFYCG-FPLPWBNLSA-N 310.357 1.833 10 10 DDCE COc1ccc(CNC2(CNC(=O)[C@@H]3CCCO3)CC2)cc1C 1483715221 OEJIQMRIHCWUCA-INIZCTEOSA-N 318.417 1.921 10 10 DDCE COc1cccc(OC)c1CC(=O)NCc1c(O)cccc1O 1558534918 ZXWYJROGSVMAKR-UHFFFAOYSA-N 317.341 1.974 10 10 DDCE COc1cccc(CNC(=O)/C=C/c2ccc(C(N)=O)o2)c1O 1631540274 RMXFCMZZFBRCQF-SOFGYWHQSA-N 316.313 1.422 10 10 DDCE NC(=O)[C@H]1c2ccccc2CCN1C(=O)c1cc(O)cs1 1633771855 WUDUNQMSBYCBDK-CYBMUJFWSA-N 302.355 1.679 10 10 DDCE COC(=O)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1587263296 HGDOVHSZWOBSAQ-LLVKDONJSA-N 304.306 1.530 10 10 DDCE O=C(NCc1nnc(O)n1C1CC1)N1Cc2cccc(O)c2C1 1687395637 CCFZLJYBEGYECU-UHFFFAOYSA-N 315.333 1.250 10 10 DDCE CCCNCc1cc(F)c(N2CCO[C@H](CO)C2)c(F)c1 167285401 BEPREAUYIPANEB-LBPRGKRZSA-N 300.349 1.662 10 10 DDCE Cc1cc(C(=O)NCCc2ccc(N)cc2)c2cnn(C)c2n1 152502954 DPBADZJQTONDLS-UHFFFAOYSA-N 309.373 1.831 10 10 DDCE CC(C)Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)n[nH]1 1860203223 JMQKDWWWBXDTMP-UHFFFAOYSA-N 303.362 1.992 10 10 DDCE COC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)Cc1ccc(N)cc1 1866324323 UEHLAKCWMQYNSB-QEJZJMRPSA-N 302.374 1.754 10 10 DDCE Cc1ccc(O)c(CNCCC(=O)NCCc2cnc[nH]2)c1 1857861727 GGQKRDJUFMYQIS-UHFFFAOYSA-N 302.378 1.262 10 10 DDCE C[C@H](O)c1ccc(N2CC(O)(CO)C2)c(Br)c1 2004523655 RKKKBLXQIANGKJ-QMMMGPOBSA-N 302.168 1.046 10 10 DDCE Cn1nnc(Br)c1CNCc1cc(F)ccc1O 1967834122 IEEKEPIHCSOPTK-UHFFFAOYSA-N 315.146 1.712 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1Nc1c(N)cccc1C(N)=O 1984414273 FDBFFZVAFAHKTA-CABZTGNLSA-N 320.393 1.693 10 10 DDCE Cc1cccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O 1985829961 WKXXCHMYUJMVBJ-KGLIPLIRSA-N 322.405 1.770 10 10 DDCE Nc1ccc(Nc2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1 2012416227 IROVCNWICNREIG-UHFFFAOYSA-N 323.356 1.905 10 10 DDCE O=C(CN(CCO)Cc1ccccc1)c1ccc(O)c(O)c1 309535595 GCHOCVCLKWDPBM-UHFFFAOYSA-N 301.342 1.775 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl 2177376550 GQRIBYTYTWJAON-NXEZZACHSA-N 318.801 1.419 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)[C@H](C)c1c(O)cccc1O 2170516375 QFHRVRBSQJWSNC-WDEREUQCSA-N 301.408 1.914 10 10 DDCE CCc1nn(C)c(C(=O)N2CC(N=[N+]=[N-])C2)c1Br 2072306186 GFDLDRHGLSCHQB-UHFFFAOYSA-N 313.159 1.880 10 10 DDCE CN=c1[nH]c(N)c(C(=O)NCc2cnc(SC)s2)s1 2269279219 PXDVVUQUBJAKTH-UHFFFAOYSA-N 315.449 1.297 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1CCC[C@@H](O)[C@@H]1O 2217641743 IPKLHCQQVGLGEW-NQBHXWOUSA-N 316.195 1.519 10 10 DDCE CCN(CC)S(=O)(=O)CCNCc1cnc(SC)s1 2208493180 FBAZGHDBSSSMFV-UHFFFAOYSA-N 323.509 1.626 10 10 DDCE COCCN1C(=O)C(=Cc2ccc(O)cc2)C(C(=O)OC)=C1C 2294058002 JWKGOLLOYNYPLK-UHFFFAOYSA-N 317.341 1.711 10 10 DDCE Cc1cccc(N(C)C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1 491478900 NXKMKHSLOHLDAI-HJWRWDBZSA-N 313.357 1.069 10 10 DDCE C[C@H]1CN2CCC[C@@H]2CN1C(=O)C=Cc1ccc(O)c(O)c1 2307987185 JVSGFQVUVWFVKY-GXTWGEPZSA-N 302.374 1.806 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@@H]3O 2312539481 YYJFDAUACXBFHF-MJWVCXPYSA-N 301.342 1.339 10 10 DDCE C[C@H](N)c1ccc(N2CC([C@@H](O)CO)C2)cc1Br 2315165287 BMPARJGKNJQOLF-SDBXPKJASA-N 315.211 1.258 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)c1cscc1S(C)(=O)=O 2337777627 VETFHJNKDNNJPE-UHFFFAOYSA-N 302.381 1.924 10 10 DDCE NCc1ccc(N2CCN(c3ncccn3)CC2)c(Cl)c1 62792837 HJUBWILSHSNDPP-UHFFFAOYSA-N 303.797 1.915 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)COC[C@@H]1CCOC1 117747315 VBICEUVDMZYAHI-OAHLLOKOSA-N 306.406 1.764 10 10 DDCE CC(C)N(Cc1ccc(N)cc1)S(=O)(=O)c1ccnn1C 124093217 JSLPCXLUJSLTAT-UHFFFAOYSA-N 308.407 1.602 10 10 DDCE N[C@H](c1ccc(Br)c(F)c1O)C(F)(F)CO 95706311 JFYONYAZEZXFTL-MRVPVSSYSA-N 300.074 1.921 10 10 DDCE C[C@@H](NC(=O)[C@H]1CCNC(=O)CC1)c1ccc(N(C)C)cc1 816180524 RWDKPQYCMRAMFO-TZMCWYRMSA-N 303.406 1.846 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H]1CNCc1ccc(O)c(O)c1O 724920832 IOZUZHBZYGGEDI-NSHDSACASA-N 324.377 1.902 10 10 DDCE CC(C)CN(Cc1cc(O)n2ncc(C(=O)O)c2n1)C(C)C 846236898 DOYWXCAJBYDWMB-UHFFFAOYSA-N 306.366 2.000 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@H]2CCNC2)c1 841938013 FHPSEULHOZUPRP-VXGBXAGGSA-N 307.394 1.761 10 10 DDCE CCc1cccc(CN2CCC[C@@H](CS(N)(=O)=O)C2)c1O 848885547 UPICUXIFQBPJHK-GFCCVEGCSA-N 312.435 1.455 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)C2)cc1 855232667 WPMQEWHMAKYVAM-BASLNEPJSA-N 316.401 1.958 10 10 DDCE Cc1cc(O)c(CNC[C@]2(OCCO)CCOC2)c(Cl)c1 850358247 MDFJRCWLVYMEDL-OAHLLOKOSA-N 315.797 1.612 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cnnc(C)c3)C2)cc1 855228056 UPDUYYQTNZRRKP-CQSZACIVSA-N 312.373 1.802 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCC(=O)N3)C2)cc1 855222970 ABQOQPLHAQZJHI-SWLSCSKDSA-N 317.389 1.059 10 10 DDCE CCn1cc(NS(=O)(=O)c2cc(F)cc(F)c2O)cn1 753020653 UAWZOQORRYCGNM-UHFFFAOYSA-N 303.290 1.688 10 10 DDCE COC[C@@H](OC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855224742 GWHJNWIITRUIPJ-SWLSCSKDSA-N 308.378 1.052 10 10 DDCE COC(=O)[C@@]1(OC)CCN(Cc2cc(C)cc(OC)c2O)C1 863296918 NJNMIUPTJMOJGD-MRXNPFEDSA-N 309.362 1.473 10 10 DDCE C[C@H](NC(=O)NCC(C)(C)S(C)(=O)=O)c1ccccc1O 868339235 REMCXWPEMRRCIO-JTQLQIEISA-N 314.407 1.576 10 10 DDCE COc1ccc(CNC(=O)c2cn3c(n2)COCC3)c(O)c1 861490099 PKTSINLRXNFXPU-UHFFFAOYSA-N 303.318 1.058 10 10 DDCE C[C@@H](NC[C@@H](O)CC(C)(C)O)c1ccc(N2CCOCC2)cc1 872200293 ZLNNRPSYWYWTOC-PBHICJAKSA-N 322.449 1.696 10 10 DDCE COCc1ncc2c(n1)CCN(C(=O)Nc1ccc(N)cc1)C2 1119032257 AHMKECMWNIOXAL-UHFFFAOYSA-N 313.361 1.795 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1c[nH]nc1-c1ccncc1 1142533403 IPOALTJAGRRDFF-UHFFFAOYSA-N 310.313 1.813 10 10 DDCE CC[C@@H](CO)NCc1c(C(=O)OC)n(C)c2ccc(F)cc12 1331550924 WTGJNZQDSGLKEL-NSHDSACASA-N 308.353 1.965 10 10 DDCE CCOc1ccc(N(CC(=O)N2CCNCC2)CC2CC2)cc1 1351801839 SMQXWBNFECWHBT-UHFFFAOYSA-N 317.433 1.734 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](O)CCSC 1449128710 YJOICXFXMSNGET-SNVBAGLBSA-N 304.408 1.608 10 10 DDCE O[C@@H]1COC[C@H]1NC1CCN(c2ccc3c(c2)CCC3)CC1 1616096389 LRTJFGVQQYWZDU-QZTJIDSGSA-N 302.418 1.493 10 10 DDCE C[C@H](NC(=O)[C@H]1CCc2nnc(O)n2C1)c1ccccc1O 1557969608 XSRJUAROSDGNET-UWVGGRQHSA-N 302.334 1.129 10 10 DDCE COC(=O)c1[nH]c(C)cc1NC(=O)Cc1ccc(O)c(O)c1 1565622207 CWGMDKBCMJXLQY-UHFFFAOYSA-N 304.302 1.702 10 10 DDCE C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nccc(N)n1 1569596590 FGJVXYYVVOMXFZ-AZVKUDOFSA-N 300.318 1.361 10 10 DDCE COCCO[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1633119357 NNXRQWPZKWGHFT-ZDUSSCGKSA-N 320.349 1.727 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCN2CC=CCC2)cc1 1635608044 PXMNRCCFZYVWDF-UHFFFAOYSA-N 301.350 1.841 10 10 DDCE CN(C)C(=O)O[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1641031780 YOMRLTCZYHYHMS-GFCCVEGCSA-N 322.361 1.330 10 10 DDCE CN=[S@@](C)(=O)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1647767578 LVAPHFRSRPWQJJ-NRFANRHFSA-N 311.367 1.306 10 10 DDCE CN(C[C@@H](O)Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 1641724763 XSEDHRNODCNAJB-HNNXBMFYSA-N 315.369 1.702 10 10 DDCE Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(O)cc1O 1570461375 ODVBEHIKXZPPGE-UHFFFAOYSA-N 303.274 1.639 10 10 DDCE CO[C@H](Cc1ccccc1)C(=O)NCc1cccc(O)c1O 1651175725 KLDQDUIZTKGKMK-OAHLLOKOSA-N 301.342 1.972 10 10 DDCE C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043129 LUZYWYUFFXRTFO-SRVKXCTJSA-N 312.410 1.755 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(CCN=[N+]=[N-])CC2)C1 1982242048 KLICLYPMFYNMSP-ZDUSSCGKSA-N 324.429 1.924 10 10 DDCE CNCc1ccc(N2CC3(CN(C)C3)C2)c(Br)c1 2034809670 DVJIEDIWECNNEP-UHFFFAOYSA-N 310.239 1.920 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)cc1Cl 2177382267 YGKHBKWCFYASKR-SDBXPKJASA-N 318.801 1.561 10 10 DDCE O=C(NC1CC1)c1cnn(Cc2cc(Cl)ccc2O)c1O 2070502843 REGROGKTGNPBBN-UHFFFAOYSA-N 307.737 1.888 10 10 DDCE CCOC(=O)[C@@](N)(CSc1nccs1)C1CCOCC1 2208167134 JMAJXAOZXMFXPU-CYBMUJFWSA-N 316.448 1.922 10 10 DDCE CSc1ncc(CNC(=O)c2ccc(C(N)=S)cn2)s1 2284703830 QUWMAOBNHLYMBE-UHFFFAOYSA-N 324.456 1.824 10 10 DDCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNCc1ccccc1 2297329646 FCRZUHWFLMLEGM-UHFFFAOYSA-N 321.336 1.943 10 10 DDCE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C=Cc1ccc(O)c(O)c1 2307986228 HMSPSHRQNWDPSH-PWSUYJOCSA-N 304.346 1.223 10 10 DDCE Cc1ccc(CN2CCCS2(=O)=O)c(O)c1Br 2307470351 OGYBDHPDPLDCHC-UHFFFAOYSA-N 320.208 1.999 10 10 DDCE CN1CCO[C@@H](CNCc2cccc(Br)c2O)C1 105470941 LFHXNNALUWBJEL-NSHDSACASA-N 315.211 1.575 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)[C@H]2CC2(C)C)cc1C 1272398021 LIVVVIKGRIMHRD-LSDHHAIUSA-N 320.433 1.616 10 10 DDCE COc1ccc(O)c(CNC(=O)c2ccc3nnn(C)c3c2)c1 183328364 KKVQTGJPHFGLJU-UHFFFAOYSA-N 312.329 1.613 10 10 DDCE COc1ccc(N2CCN(C(=O)C[C@H]3CCN(C)C3)CC2)cc1 82320334 OGGFKNZEHAQTNF-OAHLLOKOSA-N 317.433 1.686 10 10 DDCE CNC(=O)[C@H]1CCCN1c1ccc(CN)c(C(F)(F)F)c1 42390750 OUPQFVJQJBRYBL-GFCCVEGCSA-N 301.312 1.879 10 10 DDCE CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2C(=O)[C@H]1N=[N+]=[N-] 198688425 IBENCMCAEHXXCP-SFYZRTLMSA-N 305.290 1.720 10 10 DDCE COc1ccc(O)c(CN2C[C@@H](N3CCOCC3)[C@H](C)C2)c1 245940810 UIFNEZBQMXQEMY-CZUORRHYSA-N 306.406 1.553 10 10 DDCE CCOc1ccc(O)c(CN(C)[C@@H](C)CN2CCOCC2)c1 279339476 DXXWPKRAWINKTP-AWEZNQCLSA-N 308.422 1.943 10 10 DDCE COc1cc(O)c(CN2CC(F)(F)C[C@@H]2CO)cc1OC 364665010 WTFLPWLBLFCZQI-SNVBAGLBSA-N 303.305 1.611 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(N)=O)cc1 808095413 DOADDMZHMOPFPZ-UHFFFAOYSA-N 319.357 1.907 10 10 DDCE COc1cc(O)c(CNC[C@@H](OC)[C@@H]2CCOC2)cc1OC 826822274 OZHWOERTOWERFH-BDJLRTHQSA-N 311.378 1.551 10 10 DDCE CCOc1ccc(O)c(CN2CCN([C@@H]3CCOC3)CC2)c1 827118542 CTIPCFXNPDOZMX-OAHLLOKOSA-N 306.406 1.697 10 10 DDCE CN(C/C=C/c1ccc(N(C)C)cc1)CCNC(=O)N(C)C 835042992 NVRWJPFPIPGKOT-VOTSOKGWSA-N 304.438 1.969 10 10 DDCE CC(C)C(=O)N1CCN(C(=O)NCCc2ccc(N)cc2)CC1 841956504 GGROTRKYGNRIDK-UHFFFAOYSA-N 318.421 1.321 10 10 DDCE COc1ccc(N(C)CC(=O)N2CCOC[C@H]2C2CC2)cc1 844353179 QAVOUJIDMPGUTO-INIZCTEOSA-N 304.390 1.769 10 10 DDCE CC[C@H](NC(=O)NCCc1ccc(N)cc1)[C@@H](O)C(F)F 841955641 IWLRPJCBIQMUPR-NWDGAFQWSA-N 301.337 1.515 10 10 DDCE CO[C@@H](CS(=O)(=O)Nc1ccc(O)cc1)C1CCOCC1 842573204 GOWUGYTZFRGLHM-AWEZNQCLSA-N 315.391 1.576 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](Cn2ccnn2)C1 855239025 WQYHOHHOVRYEBD-OHVSUOQFSA-N 314.345 1.251 10 10 DDCE CCO[C@@H]1COCC[C@@H]1CC(=O)NCc1c(O)cccc1F 928710741 WOOURQRTTUUPFJ-IAQYHMDHSA-N 311.353 1.979 10 10 DDCE CCC1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)COC1 855231522 BLPIEIDDABSUAL-ZDUSSCGKSA-N 304.390 1.817 10 10 DDCE CCO[C@H](CN[C@@H](C)c1cc(C(=O)OC)ccc1O)CN(C)C 926960872 NNIGJRNTZUAVKO-GXTWGEPZSA-N 324.421 1.796 10 10 DDCE C[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)c2ncnn21 850352401 URNBQLXYCYHSHB-CZUORRHYSA-N 313.405 1.910 10 10 DDCE CCn1cnc(S(=O)(=O)NCc2cc(OC)ccc2O)c1 751419964 ZTJFANYWTJHDIM-UHFFFAOYSA-N 311.363 1.096 10 10 DDCE CN(C)c1cc(F)c(CN2CCN3C[C@H](O)C[C@H]3C2)cc1F 862402437 NRLHFGWYGREQSD-QWHCGFSZSA-N 311.376 1.282 10 10 DDCE Cc1c(C(=O)N2Cc3cccc(O)c3C2)nnn1-c1ccn(C)n1 871204529 FPQGEDZLIHYLBY-UHFFFAOYSA-N 324.344 1.171 10 10 DDCE COC(=O)COc1ccc(N(C)C/C=C(\C)C(=O)OC)cc1 784561409 RCNKHQKLARUIKU-FMIVXFBMSA-N 307.346 1.794 10 10 DDCE CCN(CC)c1ccc(CN2CC[C@@](O)(C(=O)OC)C2)cc1 895706543 GGIMTJPCKXHURH-KRWDZBQOSA-N 306.406 1.643 10 10 DDCE Cn1nc(Br)nc1CN1Cc2cccc(O)c2C1 895449656 MZZDRRBSBSCGRZ-UHFFFAOYSA-N 309.167 1.799 10 10 DDCE CCOc1cccc(CN[C@H](C[C@H]2CCCO2)C(=O)OC)c1O 895863114 KWRTVCAAJPRSAP-ZIAGYGMSSA-N 323.389 1.991 10 10 DDCE OCC[C@H]1CCCCN1Cc1ccc(N2CCNCC2)cc1 84857374 KUHNQYROOFZKCJ-QGZVFWFLSA-N 303.450 1.833 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CCO)c1cccs1 1137517076 CTXUQEWXMDKOTE-NSHDSACASA-N 307.371 1.942 10 10 DDCE Oc1c(F)cc(Br)cc1CN1C[C@H]2CNC[C@@H]2C1 715765266 FCNFCSBFNARNHK-NXEZZACHSA-N 315.186 1.945 10 10 DDCE O=C(O)CN(Cc1ccccc1)C(=O)c1cccc(O)c1O 692505225 VMBMTJHQJLKKDH-UHFFFAOYSA-N 301.298 1.825 10 10 DDCE CC(C)N1CCC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 1150487642 HADQAVFRBVAEHE-AWEZNQCLSA-N 306.406 1.877 10 10 DDCE C[C@H]1CNc2c(C(=O)NCc3c(O)cccc3F)cnn2C1 1347389708 JENPFTMYAKEJMC-VIFPVBQESA-N 304.325 1.719 10 10 DDCE C/C=C(\C)C(=O)NC[C@H](CO)NCc1ccc(OC)c(C)c1 1507187627 ZOQJJUMLNIBWNE-FDYAIDJWSA-N 306.406 1.537 10 10 DDCE CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cn1 1441331949 HDDXPWBZZHCZEO-UHFFFAOYSA-N 322.342 1.078 10 10 DDCE C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC(=O)N1C 1296892366 MMMKUQJUSNIIED-SECBINFHSA-N 303.322 1.152 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC2(c3ncon3)CC2)cc1 1456384990 SGNAVRNMOOGYOI-UHFFFAOYSA-N 300.278 1.651 10 10 DDCE CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1465507855 AFYJEQAKOXMGSP-GFCCVEGCSA-N 321.373 1.831 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1cccc([N+](=O)[O-])c1 1465191491 GKDXNINJPHRMSF-UHFFFAOYSA-N 302.286 1.865 10 10 DDCE CNCc1ccc(N2CCN(C(C)=O)CC2)c(OC(C)C)c1 212146534 UBCBGSMYOCOEKZ-UHFFFAOYSA-N 305.422 1.862 10 10 DDCE C[S@](=O)C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1625953070 IRPJRUIPESGLCU-NRFANRHFSA-N 308.363 1.490 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H](CO)CN2CCCC2)cc1 1556854676 COGGMOUFUKSRCS-CYBMUJFWSA-N 319.365 1.036 10 10 DDCE O=C(COc1cccc([N+](=O)[O-])c1)NCc1c(O)cccc1O 1639289578 UIPPAHLGGQEKIG-UHFFFAOYSA-N 318.285 1.701 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)C(C)(C)C)cc1C 1571445950 UFAPPHSPDAOMPE-CQSZACIVSA-N 308.422 1.616 10 10 DDCE Nc1ccc(CCNC(=O)/C(Cl)=C(/Cl)C(=O)O)cc1 2139065831 WEUPXWFYWZTXAF-KTKRTIGZSA-N 303.145 1.701 10 10 DDCE O=C(N[C@@H](CO)Cc1ccccc1)c1cc(O)c(O)c(O)c1 1865876217 XIRJLNOKBZWAFA-GFCCVEGCSA-N 303.314 1.137 10 10 DDCE CC(C)C(=O)N[C@@H]1CCCN(CCOc2ccc(N)cc2)C1 586067447 WNKPCWZVLSRKQE-OAHLLOKOSA-N 305.422 1.884 10 10 DDCE C[C@@H]1CCc2c(sc(NS(=O)(=O)C3CC3)c2C(N)=O)C1 1259270227 DKYJQEIQJNXEGZ-SSDOTTSWSA-N 314.432 1.876 10 10 DDCE C[C@@H]1CN(C(=O)CCNCc2ccc(N(C)C)cc2)C[C@@H](C)O1 1857862668 AHQYGXTWPUKOEF-HUUCEWRRSA-N 319.449 1.868 10 10 DDCE C[C@@H](O)[C@H](CO)NCc1cc(Cl)cc(Br)c1O 1969624028 KRTBWCCAOMBSTR-LDWIPMOCSA-N 324.602 1.639 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(O)c(O)c2)CO1 1982309426 FBACMEGDBJENEG-SNVBAGLBSA-N 324.333 1.379 10 10 DDCE O=C1NCCCN(c2ccc(CO)c(Cl)c2)CC1(F)F 2152790253 OPGSQVHCINLPDF-UHFFFAOYSA-N 304.724 1.794 10 10 DDCE O=C(O)COC1CN(Cc2c(O)cccc2Br)C1 2028214970 FJPOLSNAQPSELU-UHFFFAOYSA-N 316.151 1.440 10 10 DDCE Cn1c(C2=C[C@@H](O)[C@@H](N)C2)nc2ccc(Br)cc21 2067752632 ARPKRXFHPAXXMD-JOYOIKCWSA-N 308.179 1.811 10 10 DDCE NCCN1CCC(Nc2c(N)cccc2Br)CC1 2071579338 LRXPDEZBCZOEMX-UHFFFAOYSA-N 313.243 1.866 10 10 DDCE NCc1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(Cl)c1 2088819789 MNNYJIHKWVVNLO-GXFFZTMASA-N 300.811 1.422 10 10 DDCE C[C@@]1(CNS(=O)(=O)Cc2ccc(N)cc2)CSCCO1 2201234740 HJVFUTRVLCSOAW-CYBMUJFWSA-N 316.448 1.210 10 10 DDCE CN(CCOC(F)F)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 2202945555 LSKKPJNBTMPBAJ-JTQLQIEISA-N 305.712 1.967 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)s1 2284501850 VPEOTTXNVURFHP-JGVFFNPUSA-N 315.420 1.918 10 10 DDCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccoc3)C2=O)cc1 2296400331 SLHMXDCMCTYIQP-UHFFFAOYSA-N 312.281 1.955 10 10 DDCE COC(=O)[C@@H](CN)NCc1ccc(C)c(Br)c1O 2327583374 LXYQYFLOCPPBSX-SECBINFHSA-N 317.183 1.053 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@@H](S(=O)(=O)CCCCN=[N+]=[N-])C1 2342103815 SYOIINZGHGIKTN-NXEZZACHSA-N 309.413 1.457 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CNC(C)(C)C2)s1 2350656445 WMZZXPSJXNZQAI-GFCCVEGCSA-N 301.437 1.550 10 10 DDCE CCC[C@H]1SC[C@@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 111422887 GVVKQTCJALVNRT-GZMMTYOYSA-N 312.347 1.261 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCc1ccc(O)c(O)c1 38926857 YZULXEMRJVYJIM-UHFFFAOYSA-N 303.314 1.410 10 10 DDCE O=C(CC1CCCCC1)NCCN1C(=O)CSC1=S 71500711 RMRBEVVWHMCYJC-UHFFFAOYSA-N 300.449 1.933 10 10 DDCE CCOC(=O)c1nc(NN(C)S(=O)(=O)C2CC2)sc1C 2365271600 OJMATKCBUWFYCN-UHFFFAOYSA-N 319.408 1.379 10 10 DDCE Cc1cc(O)ccc1NS(=O)(=O)N1CCC[C@@H](C(=O)O)C1 80357555 WEULVUKSJQSHBT-SNVBAGLBSA-N 314.363 1.154 10 10 DDCE Cc1ccc(C(=O)NC[C@H](C)N2CCCCC2=O)c(O)c1O 194269229 BBCOHAAJOLZOGR-NSHDSACASA-N 306.362 1.537 10 10 DDCE COc1cc(N(C)C[C@H](O)COC(C)C)cc(OC)c1OC 265985641 DAWFRIKVWQQRQU-ZDUSSCGKSA-N 313.394 1.935 10 10 DDCE CCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(O)c(O)c1 269066076 CSGOAGWLDWFWKI-JTQLQIEISA-N 310.375 1.026 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3C[C@@H]4CC[C@H](C3)O4)cc2N1 376666307 RHJFAIGMHAFXEA-DTORHVGOSA-N 305.290 1.293 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ccncn1 819760221 BIVKSYYBPLBVSE-UHFFFAOYSA-N 306.362 1.917 10 10 DDCE C[C@@H]1C[C@@H](NC[C@@]2(CO)COCCN2C)c2c(O)ccc(F)c21 903280857 NZCSRVHEQKJEDW-CJBNDPTMSA-N 324.396 1.362 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NCC[C@@H]2CC(=O)N(C)C2)c1 903215990 RZLAUURIWSSTPI-VXGBXAGGSA-N 320.389 1.698 10 10 DDCE c1cc(N2CCOCC2)ccc1Cn1cc([C@@H]2CCOC2)nn1 900604348 NDKKJVAEVXXVNK-OAHLLOKOSA-N 314.389 1.667 10 10 DDCE CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc(OC)cc1O 907927542 XWGOGHDJAPRCTN-QWHCGFSZSA-N 307.346 1.606 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@H]1CNC(=O)CN1 1952882587 DOOJAFXWOLHYSU-SNVBAGLBSA-N 307.350 1.500 10 10 DDCE Cc1cc(O)c(CN2CCC[C@@H](S(N)(=O)=O)C2)c(Cl)c1 840939786 QQPVEEXSLOESFP-SNVBAGLBSA-N 318.826 1.607 10 10 DDCE C[C@H]1CN(C(=O)CN2CCCc3cc(CN)ccc32)C[C@@H](C)O1 843349497 BGPKGUSCVDFJCE-OKILXGFUSA-N 317.433 1.534 10 10 DDCE COc1ccc(N2CC[C@H](NC(=S)NCCN(C)C)C2)cc1 849271120 APKZCGZPMSBDMF-ZDUSSCGKSA-N 322.478 1.300 10 10 DDCE COC(=O)[C@H](NCc1ccc(OC)c(C)c1)c1ccnn1C 843429394 CLMFDAOEVJGUKV-OAHLLOKOSA-N 303.362 1.741 10 10 DDCE CN(C)C[C@H]1CN(C(=O)C=C2CCNCC2)c2ccccc2O1 852872448 MUGAVKQRLSMWPB-HNNXBMFYSA-N 315.417 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CN(CC[S@](C)=O)c1ccc(CN)c(Br)c1 398942897 LRZZDJIKCUVLPI-INIZCTEOSA-N 305.241 1.723 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@@H]2CCNC2=O)c(Br)c1 1916798676 GMRSOZDJSQCIJT-QPUJVOFHSA-N 312.211 1.794 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1C[C@H]1C 1321666950 YLAGJAZCQRTKHO-RISCZKNCSA-N 303.406 1.449 10 10 DDCE O=C(NCc1cc(Cl)ns1)c1cc(O)c(O)c(O)c1 2132400448 MUVOAQMSXLVCKL-UHFFFAOYSA-N 300.723 1.843 10 10 DDCE COc1ccc(CNC(=O)c2ccc(CO)cc2OC)c(O)c1 1448381987 NOKPENWHVLWBQE-UHFFFAOYSA-N 317.341 1.832 10 10 DDCE Cc1cc(C(=O)N(C)Cc2ccccc2O)c(C)n1NC(N)=O 1294674115 ZIMNADGSXZAFEX-UHFFFAOYSA-N 316.361 1.705 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCN3CCOC[C@H]3C2)cc1 1466756870 VEBNBUYBPFFOTD-CYBMUJFWSA-N 317.349 1.006 10 10 DDCE O=C(NCCCSc1nccs1)C1=C2CCCN=C2NN1 1616241013 IUHCJUVKTIEYKK-UHFFFAOYSA-N 323.447 1.296 10 10 DDCE CN(C)[C@H]1COC[C@H]1NCc1cccc(Br)c1O 1922041271 BMJNGQJIZTVLSK-NEPJUHHUSA-N 315.211 1.573 10 10 DDCE COc1cc(CN2CCC(=O)CC2)ccc1N1CCNCC1 212639386 GZQSSXCAUGWRRJ-UHFFFAOYSA-N 303.406 1.270 10 10 DDCE Cc1cc(C(=O)NCc2ccc(O)cc2O)ccc1-n1cncn1 1557084689 KIUIWGRTPCWLSX-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE CCS(=O)(=O)N(C)CCNCc1cccc(Cl)c1O 1926345553 ZSPOAFQETGFIHD-UHFFFAOYSA-N 306.815 1.417 10 10 DDCE C=CC(=O)N(CC)CC(=O)C(=O)CC(C)(C)CC(=O)OCC 1636058586 IUSSXYYKIWEENN-UHFFFAOYSA-N 311.378 1.529 10 10 DDCE CCOCCO[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1566729528 SKSCLZLKTPUVON-ZDUSSCGKSA-N 309.362 1.294 10 10 DDCE Nc1ccc(OCCN2C(=O)C(Cl)=C(Cl)C2=O)cc1 2139101017 HLJHBJHIROHOEU-UHFFFAOYSA-N 301.129 1.706 10 10 DDCE CC(=O)N[C@H](C)CN=NNc1ccc(N2CCOCC2)cc1 1860494086 PPIXXUXZFQOZDJ-GFCCVEGCSA-N 305.382 1.827 10 10 DDCE O=C(Nc1c(F)cccc1C(=O)O)c1cc(O)c(O)c(O)c1 1865876491 NXWNKRKIGJMXQX-UHFFFAOYSA-N 307.233 1.893 10 10 DDCE COc1cc(Cl)cc(CN[C@@H](C)[C@@H]2COCCO2)c1O 1967897479 KODHLYHKWDGJBN-ZANVPECISA-N 301.770 1.948 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@]3(C)CCCC[C@H]3O)c2n1 2064057548 ZIEDWWVZOWQPPE-WBMJQRKESA-N 318.377 1.414 10 10 DDCE CO[C@@H]1C[C@@H](NCc2cc(Br)ccc2O)C[C@H]1O 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321.424 1.549 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)c1cccnc1N 88070925 DNFQQDULAXTQDQ-SNVBAGLBSA-N 307.375 1.751 10 10 DDCE COC(=O)Cn1ncc(NCc2ccc3c(c2)CCN3C)c1C 192991942 ZAJBFEZPKFSHPE-UHFFFAOYSA-N 314.389 1.969 10 10 DDCE Cc1ccc(O)c(CNC[C@@]2(CO)COCC3(CCC3)N2C)c1 527755689 VBFHSZHMCDDYHX-GOSISDBHSA-N 320.433 1.406 10 10 DDCE CN(CC(=O)N1CCOC[C@H]1C1CC1)c1ccc2c(c1)OCO2 362659244 QKSJSZOWTUBHBR-AWEZNQCLSA-N 318.373 1.489 10 10 DDCE NS(=O)(=O)C[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 272346266 ZRDZDYJTRMQFSC-SNVBAGLBSA-N 302.371 1.032 10 10 DDCE O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1cncnc1)CC3 542825645 WBYVQZXSPGBUHG-VZUCSPMQSA-N 320.308 1.829 10 10 DDCE COc1cccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1O 804424391 KBFKRFKPSUAAAA-UHFFFAOYSA-N 319.317 1.996 10 10 DDCE Cc1cc(CN2CC[C@@H](NS(C)(=O)=O)C2)ccc1N(C)C 292979984 FFOGDYRYIKCBJM-CQSZACIVSA-N 311.451 1.185 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1C[C@H]2COC[C@@H](C1)O2 802657867 WNQAQNGVXZVFON-CALCHBBNSA-N 304.390 1.123 10 10 DDCE C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H](C)C1O 827152384 SXZWSGTXUZXKJK-HOTGVXAUSA-N 317.477 1.887 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Nc3cnnn3C)C2)cc1 823220290 ZIAHWBINHLWDQX-NSHDSACASA-N 316.365 1.224 10 10 DDCE Cc1ccc(O)c(CNS(=O)(=O)C[C@@]23CCCN(CC2)C3)c1 918004560 RIPZEPQCZWWETH-INIZCTEOSA-N 324.446 1.606 10 10 DDCE COc1ccc(O)c(CNC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)c1 740085705 KBGNLAQTDIZJKR-VGPLMAKISA-N 319.357 1.259 10 10 DDCE CC[C@@H]1NC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O 849358276 UIILTBCZHQYYIX-JSGCOSHPSA-N 303.362 1.604 10 10 DDCE CN1C(=O)CNC[C@H]1c1c(O)cccc1NC(=O)OC(C)(C)C 1952928462 AEHSKBVWNVHRQW-NSHDSACASA-N 321.377 1.842 10 10 DDCE CN(C)c1cccc(CNC(=O)NCc2c(O)cccc2F)n1 921641517 GCPQIDWALADOAF-UHFFFAOYSA-N 318.352 1.992 10 10 DDCE O=S(=O)(CC[C@@H]1CCOC1)NCc1c(O)cccc1F 921451943 ZFFNSQNRXWHTEI-JTQLQIEISA-N 303.355 1.377 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)/C=C\c3cnccn3)C2)cc1 855233383 XZPRFKLDITZZHW-HPTQEQEDSA-N 324.384 1.894 10 10 DDCE OCCN[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 923409780 UGHFVVGXMTUUDF-KRWDZBQOSA-N 319.449 1.070 10 10 DDCE Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)c(O)c1O 855704763 YMQVIHDRHCBRPI-ZJUUUORDSA-N 313.375 1.102 10 10 DDCE Cc1cc(Br)c(O)c(CNCCOCCCN)c1 863486907 OCODBEJYROPDBF-UHFFFAOYSA-N 317.227 1.918 10 10 DDCE Cc1ccc([C@H](C)NC[C@]23COCCN2C(=O)OC3)c(O)c1 866520553 GVBGJZUFSQAJNZ-BLLLJJGKSA-N 306.362 1.572 10 10 DDCE CC[C@H](NCC(C)(C)CS(N)(=O)=O)c1ccc(F)cc1O 866573785 YRMPDKCPEKEVRO-LBPRGKRZSA-N 318.414 1.887 10 10 DDCE O=C(CC1CS(=O)(=O)C1)NCc1c(O)ccc2c1CCCC2 866771004 KKZIJHMRASAPKZ-UHFFFAOYSA-N 323.414 1.322 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCOCC4(CC4)C3)cc2N1 782388142 XJXZSYPINJUPED-UHFFFAOYSA-N 319.317 1.543 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl 1137345694 SQPNXDKLDDVLEG-UHFFFAOYSA-N 310.697 1.949 10 10 DDCE CC(C)(C)[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1O 1137882449 UHRGSJBCZAYPJP-WFASDCNBSA-N 307.390 1.896 10 10 DDCE Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1cc(Cl)ccc1O 1146248203 UYXZMRUFVDNALU-UHFFFAOYSA-N 324.724 1.775 10 10 DDCE CNCc1ccc(N(C)CCCS(C)(=O)=O)c(Cl)c1 694162285 ZWBZLRIZXSBOLG-UHFFFAOYSA-N 304.843 1.930 10 10 DDCE COc1ccc(CNC/C=C\CNC(=O)CC(C)(C)O)cc1C 1321040448 YEKYNOFURQJLAX-WAYWQWQTSA-N 320.433 1.927 10 10 DDCE CCOC(=O)CCS(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1912177060 GSQCIKGTSLJEME-SNVBAGLBSA-N 304.372 1.292 10 10 DDCE COCCN[C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1275581094 YBGUXSMCRKUHDF-GHMZBOCLSA-N 321.381 1.592 10 10 DDCE CC(C)[C@](C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C(N)=O 1297711871 DQALJDSVVDDLDJ-HNNXBMFYSA-N 322.386 1.942 10 10 DDCE O=C(Cc1cccc2nsnc12)NCc1ccc(O)c(O)c1 1465954056 MGKBGTZMNLOWCO-UHFFFAOYSA-N 315.354 1.961 10 10 DDCE COC(=O)[C@@H](CF)NC(=O)c1cc2cc(O)c(O)cc2s1 1468570798 NUBPXHIDIPROKK-SSDOTTSWSA-N 313.306 1.553 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cnn(-c2ccncc2)c1 1545669173 NZBFNBZARKRRGR-UHFFFAOYSA-N 324.340 1.651 10 10 DDCE CCOC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1625741700 RHRFRFXHRKMYKL-GFCCVEGCSA-N 322.361 1.377 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](c2cnccn2)C1 1558525326 RGXOHPTXKGEWTD-OHVSUOQFSA-N 311.341 1.917 10 10 DDCE COc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)nn1C 1556250395 RFKGRUCXPBFXCO-UHFFFAOYSA-N 302.294 1.843 10 10 DDCE Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCc1cc(O)ccc1O 1633595187 LHLOFTBQBYPTAJ-SECBINFHSA-N 303.362 1.868 10 10 DDCE COC[C@H](C)n1ccc(NC(=O)Cc2ccc(O)c(O)c2)n1 1633569546 PZCBXPQDGLNJDT-JTQLQIEISA-N 305.334 1.683 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CCO)c1ccccc1 1631656649 HYIGCDLZRAKVBR-AWEZNQCLSA-N 301.342 1.880 10 10 DDCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@]2(CCCOC2)O1 1634156943 XGMDLCBYJKMRET-SJKOYZFVSA-N 321.373 1.437 10 10 DDCE COCCNCc1ccc(N2CCNC(=O)[C@@H]2C)c(Cl)c1 164071497 XDLDCEYFRNJZHU-NSHDSACASA-N 311.813 1.401 10 10 DDCE CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(N)cc2)C1 1860081909 HQIQDIYNZIKUQR-STQMWFEESA-N 320.389 1.838 10 10 DDCE COC(=O)C1CCN(C(=O)[C@@H](C)Oc2ccc(N)cc2)CC1 1860082057 IRIUPJHDKPHRRR-LLVKDONJSA-N 306.362 1.448 10 10 DDCE NCc1cc(F)c(N2C[C@H](O)[C@@H](F)C2)cc1Br 1944242296 NYUULBGAIKGSLY-ONGXEEELSA-N 307.138 1.566 10 10 DDCE NCc1ccc(N2C[C@H]3C[C@@]2(CO)CO3)c(Br)c1 2033614875 YZGQCCKJMHRKMW-ZWNOBZJWSA-N 313.195 1.248 10 10 DDCE CCn1nc(C)c(NC(=O)c2cnn3c(O)cc(C)nc23)c1C 2064386682 ZLFBMWOCPLZKGC-UHFFFAOYSA-N 314.349 1.829 10 10 DDCE CN(CC1[C@H]2CS(=O)(=O)C[C@H]12)c1ccc(CO)c(Cl)c1 2174674991 IVTHXMDXCJBXSK-CHWSQXEVSA-N 315.822 1.559 10 10 DDCE CCCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@H]1CN=[N+]=[N-] 2179603732 NJMNINAQHZMCSM-SDDRHHMPSA-N 302.400 1.353 10 10 DDCE CCOC(=O)Cc1cc(O)n2nc(C(C)C)c(C(=O)O)c2n1 2080917812 HGSRJXFNDDDYNJ-UHFFFAOYSA-N 307.306 1.362 10 10 DDCE C[C@H]1CN(c2c(F)cc([C@@H](C)N)cc2F)CCS1(=O)=O 2194695071 QUUCQOZEIPIUHH-DTWKUNHWSA-N 304.362 1.608 10 10 DDCE CC1([C@@H]2CCCCN2C(=O)c2cccc(O)c2O)OCCO1 2089564911 GYECGICXAYSHQM-ZDUSSCGKSA-N 307.346 1.856 10 10 DDCE O=c1c2c(ccn1Cc1cncc(Br)c1)CCNC2 2094407640 SDEDGWNCIBLPBS-UHFFFAOYSA-N 320.190 1.700 10 10 DDCE CS(=O)(=O)[C@@H](CNCc1ccc(Cl)cc1O)C1CC1 2224598866 BONFOZCDAKSVQF-ZDUSSCGKSA-N 303.811 1.958 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)s1 2269118124 FMLFEQSNTYJMBZ-JGVFFNPUSA-N 300.405 1.982 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)C[C@@H]3CO[C@H]2C3)s1 2350663502 LNNJTACEGWBVLC-FDOIEUKUSA-N 300.405 1.587 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1Cl 2358207381 WSZUMXBITBTIID-XAGKMFGPSA-N 302.777 1.500 10 10 DDCE C[C@H](NCCNS(=O)(=O)c1cccnc1)c1ccccc1O 183623226 BGIWJSNWOFMQPO-LBPRGKRZSA-N 321.402 1.416 10 10 DDCE CC(=O)N(C(=O)N[C@@H]1CC(=O)N(C(C)C)C1)c1ccc(N)cc1 217287829 ZAQUWMUHPCXPEV-CYBMUJFWSA-N 318.377 1.341 10 10 DDCE CC(=O)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)o1 35445057 ULGZOKILDJJQML-WTKPLQERSA-N 311.340 1.768 10 10 DDCE C[C@H](O)CN(Cc1ccc(N2CCOCC2)cc1)[C@@H](C)CO 191218560 QVEIPZFKFLHFAJ-GJZGRUSLSA-N 308.422 1.087 10 10 DDCE CCCN1CCC(NS(=O)(=O)Cc2ccc(N)cc2)CC1 49554339 FFUFUTAEQBEONY-UHFFFAOYSA-N 311.451 1.563 10 10 DDCE CSc1ncc(CNS(=O)(=O)CC2(C(=O)O)CC2)s1 2274334477 BAULEGROXCHJGX-UHFFFAOYSA-N 322.433 1.149 10 10 DDCE CN(C)c1ccc(CNC(=O)C[C@@H]2CCCS(=O)(=O)C2)cc1 292708657 HECBMELSPZJVBI-AWEZNQCLSA-N 324.446 1.584 10 10 DDCE CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)[C@H](O)C(F)F 294953394 DEFWPWNFAHYBQZ-KWQFWETISA-N 320.292 1.803 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@]3(C(=O)O)C[C@H]3C)C2)cc1 902047242 YQBWFSOQHFGAAZ-PEBVRCNWSA-N 318.373 1.501 10 10 DDCE Cc1cc(O)ncc1C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 832267252 OVQBHWZOQUKBCI-OAHLLOKOSA-N 314.389 1.591 10 10 DDCE C[C@H](CC(=O)O)C(=O)NCc1cc(Br)ccc1O 911556990 YBWOBPHYCOPCTN-SSDOTTSWSA-N 316.151 1.882 10 10 DDCE CC(C)O[C@@]1(CNC(=O)NCc2ccccc2O)CCOC1 915526131 UBVNDBNXIXWHTF-MRXNPFEDSA-N 308.378 1.776 10 10 DDCE Cc1cc(NC(=O)CN2CCCc3cc(CN)ccc32)no1 843349548 CUDWNJMKICSBCZ-UHFFFAOYSA-N 300.362 1.833 10 10 DDCE COCC[C@@H](COC)NC(=O)NCc1cc(Cl)ccc1O 845205591 CAKYAOFBWVXLBY-LBPRGKRZSA-N 316.785 1.896 10 10 DDCE COc1ccc(N(C)CC2CN(S(C)(=O)=O)C2)cc1OC 929349034 YRELZQHDNBAZQG-UHFFFAOYSA-N 314.407 1.031 10 10 DDCE COC(=O)[C@@]1(OC)CCN(Cc2ccc(N(C)C)c(C)c2)C1 859557278 SMIPIILOTNOWSA-QGZVFWFLSA-N 306.406 1.825 10 10 DDCE CO[C@H](CNC(=O)N[C@H](C)c1ccccc1O)[C@H]1CCOC1 868759864 OZOBAAVQVCWABS-TYNCELHUSA-N 308.378 1.804 10 10 DDCE O=C(O)c1cnn2c(O)cc(CN3CCCC4(CC3)CC4)nc12 863477217 WMMWASLPDITCHA-UHFFFAOYSA-N 316.361 1.899 10 10 DDCE COCCN(CCOC)[C@@H](C(=O)Nc1ccc(N)cc1)C(C)C 62461111 UCZNTVQMJUFYOK-MRXNPFEDSA-N 323.437 1.827 10 10 DDCE C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](CO)O1 897521929 QWAVPRMAAJKSEL-WPRPVWTQSA-N 323.370 1.534 10 10 DDCE COCCOCCNC(=O)c1cc2cc(O)c(O)cc2s1 895879225 IDMCQWXEBVNMBH-UHFFFAOYSA-N 311.359 1.705 10 10 DDCE CC[C@@H](C)[C@@H](NC(=O)CC1C(=O)c2ccccc2C1=O)C(=O)O 100435288 RQIJGAQBRNHVEB-YMTOWFKASA-N 317.341 1.687 10 10 DDCE C[C@H](NC(=O)C1CN(C2CCOCC2)C1)c1ccccc1O 899181867 MSIYIZIUEJCQRH-LBPRGKRZSA-N 304.390 1.680 10 10 DDCE COc1cc(Cl)cc(CN[C@@H](C)c2nnc(O)n2C)c1O 895177355 RAZKRPRKHJJYBZ-ZETCQYMHSA-N 312.757 1.739 10 10 DDCE CN(Cc1ccc(Br)cc1O)C[C@H]1CNCCO1 701038941 QXTKBZHJCLBTET-GFCCVEGCSA-N 315.211 1.575 10 10 DDCE CN[C@H](C)c1ccc(N2CCSC[C@@H]2S(C)(=O)=O)cc1 90922746 OUIPYDXYJVCCCC-RISCZKNCSA-N 314.476 1.891 10 10 DDCE CCn1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1=O 1156392063 HVEVEYQFDAMRNY-UHFFFAOYSA-N 302.330 1.138 10 10 DDCE C[C@H](N)c1ccc(N2[C@H]3CC[C@H]2C(=O)NC3)c(Br)c1 2115750228 RRAATFUYTZPLFI-FWDPORAESA-N 324.222 1.936 10 10 DDCE O=C(O)[C@H]1C[C@@H](C(=O)NCc2ccc3cccnc3c2O)C1 1263632918 AQPRSVLKUDECJF-TXEJJXNPSA-N 300.314 1.667 10 10 DDCE CCOC(=O)CN(CCc1cn(C)nn1)Cc1ccccc1O 1351403712 RCAIDUCNHALAAN-UHFFFAOYSA-N 318.377 1.129 10 10 DDCE CNC(=O)[C@@H](C)N(C)Cc1c(O)cccc1Br 1916804892 YSIKIOVOBUEODX-MRVPVSSYSA-N 301.184 1.721 10 10 DDCE CN1C(=O)c2ccccc2[C@@H]1CNC(=O)c1cccc(O)c1O 1471130239 DFBRWHDUTQHQCX-ZDUSSCGKSA-N 312.325 1.655 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccc(Cn2cncn2)cc1 1558160237 UOVOXHHBRBBZOZ-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE Cc1nc([C@@H](C)NC(=O)c2ccc(N=NC(N)=O)cc2)n[nH]1 1634899115 IKUWQQBARXLMCP-SSDOTTSWSA-N 301.310 1.767 10 10 DDCE O=C(Cc1ccc2c(c1)OCO2)NCc1c(O)cccc1O 1635843353 NSQJKZWKPQETGW-UHFFFAOYSA-N 301.298 1.685 10 10 DDCE Cc1cc(C)nc(SCC(=O)NCc2c(O)cccc2O)n1 1635842980 DKLGEIZHBFEDIR-UHFFFAOYSA-N 319.386 1.913 10 10 DDCE CC/C(C)=C/C(=O)NC[C@H](CO)NCc1ccc(OC)c(C)c1 1734364895 KUBIEFVUPUXBTC-WDBUWWRISA-N 320.433 1.927 10 10 DDCE C[C@@H](NC(=O)c1cnn(C)c1-n1cnnc1)c1ccccc1O 1643742017 KGAJHXRVJPJHQB-SNVBAGLBSA-N 312.333 1.197 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cnc3cc(C)ccn3c2=O)c1 1584983637 NXEVJZNBVJHEIO-UHFFFAOYSA-N 323.352 1.947 10 10 DDCE CC(=O)Nc1cnccc1C(=O)NCc1c(O)cccc1O 1652628714 JTYVLZQEWCEDSL-UHFFFAOYSA-N 301.302 1.381 10 10 DDCE CC(C)NCc1cc(F)c(N2CCOC[C@@H]2CO)c(F)c1 168313928 QXIBUPRGBNQWGV-LBPRGKRZSA-N 300.349 1.660 10 10 DDCE CC(C)(C)OC(=O)NC1(CNCc2ccc(O)cc2O)COC1 1938381355 ALPVFQBWDMBKMF-UHFFFAOYSA-N 324.377 1.481 10 10 DDCE O=C(N[C@@H](CO)Cc1ccc(O)cc1)c1cccc(O)c1O 1148219954 ICVRIISZUSGSBB-LLVKDONJSA-N 303.314 1.137 10 10 DDCE O=C(CNCc1cc(Br)ccc1O)NC1CCC1 1964581646 QUHBZBZKHQASTK-UHFFFAOYSA-N 313.195 1.913 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCCN1c1ccc(CN)c(F)c1 2151272441 CHPRVLWXHJQWLS-ZDUSSCGKSA-N 300.399 1.688 10 10 DDCE CCC[C@@H](NCc1c(O)cccc1Br)C(N)=O 2013576091 LVNQUEMGOPHCOI-SNVBAGLBSA-N 301.184 1.898 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC[C@@H]2CCSC2)cc1 704816304 UKZYOIFJQXKLFV-LLVKDONJSA-N 300.449 1.831 10 10 DDCE CCCS(=O)(=O)CCN(C)Cc1ccc(F)c(F)c1O 2170534765 ZAGMQEJIMLIWRS-UHFFFAOYSA-N 307.362 1.927 10 10 DDCE NCc1cc(F)c(N2C[C@@H](CO)[C@H](CCO)C2)cc1Cl 2177384139 VUQZPINKQNSUTO-KOLCDFICSA-N 302.777 1.365 10 10 DDCE C[C@@H](N)c1ccc(N2CC(NC(N)=O)C2)cc1Br 2044813335 UYACNAUSTGRQCQ-SSDOTTSWSA-N 313.199 1.326 10 10 DDCE OCc1ccc(N2CC[C@@H](O)C[C@H]2CO)cc1Br 2080492458 RHOUYJFLZACKIB-NWDGAFQWSA-N 316.195 1.263 10 10 DDCE C[C@H](C[C@H]1CCCS1(=O)=O)NCc1ccc(F)cc1O 2204731497 DQJOOKXDRXWRQS-ZWNOBZJWSA-N 301.383 1.977 10 10 DDCE COc1ccc(S(=O)(=O)Nc2ccc(O)c(N)c2)s1 2227867576 JPSOEYFMJGLJBT-UHFFFAOYSA-N 300.361 1.845 10 10 DDCE COCCNCc1cnc(SC[C@H]2NCC[C@H]2C)s1 2273194623 BMRRUMKLYJMIQY-ZYHUDNBSSA-N 301.481 1.969 10 10 DDCE CN(C)c1nnc(Sc2ncc(C(=N)NO)s2)s1 2264165420 ZUTAXGHBLXEUOI-UHFFFAOYSA-N 302.410 1.516 10 10 DDCE CSc1ncc(CNC(=O)[C@]2(CCF)CCCN2)s1 2269088956 XFTZQFLRTPSZEN-GFCCVEGCSA-N 303.428 1.963 10 10 DDCE COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)NC1CC1 62324913 LDCVJPNZKAAREX-UHFFFAOYSA-N 318.377 1.258 10 10 DDCE COc1cc(O)c(CN2CCC[C@@H](n3cncn3)C2)cc1OC 180066889 KBCFSQIYBJIYGU-CYBMUJFWSA-N 318.377 1.838 10 10 DDCE Nc1ccc(OCCNS(=O)(=O)c2cccc(F)c2)cc1 38079606 AJBNPBVNDZYPTP-UHFFFAOYSA-N 310.350 1.765 10 10 DDCE NCc1ccc(N2CCC[C@@H](C(N)=O)C2)c(Br)c1 212900242 XRBIMGQUPRFEAB-SNVBAGLBSA-N 312.211 1.610 10 10 DDCE CCOC(CNC(=O)Nc1cc(O)c(O)c(O)c1)OCC 217279006 GVVAIWWUFGKIDA-UHFFFAOYSA-N 300.311 1.324 10 10 DDCE Cc1ccc(CNS(=O)(=O)CCOc2ccc(N)cc2)o1 70490847 HKDBBKJCZIRGFF-UHFFFAOYSA-N 310.375 1.669 10 10 DDCE Nc1ccc(NC(=O)Cn2cnc3ccsc3c2=O)cc1 37382716 ZNGLAQQNLPDXBS-UHFFFAOYSA-N 300.343 1.679 10 10 DDCE Cc1cc(NS(=O)(=O)N2CCC[C@@H](C(=O)O)C2)ccc1O 148141320 JOZKTSVLSUAJAD-SNVBAGLBSA-N 314.363 1.154 10 10 DDCE Cc1nn(C)c(C)c1NC(=O)NCCc1ccc(O)c(O)c1 271590246 SZTWOMINBSOZJX-UHFFFAOYSA-N 304.350 1.812 10 10 DDCE CCN(CC)c1ccc(CNC(=O)NC[C@H](O)COC)cc1 801745490 KGGVAOMTBAAPCW-HNNXBMFYSA-N 309.410 1.339 10 10 DDCE COC(=O)[C@@H](C)Sc1ccccc1C(=O)OCC(=O)C(C)=O 808507089 YQCHGXYWESAXSF-SNVBAGLBSA-N 324.354 1.655 10 10 DDCE C[C@@H](NC(=O)[C@@H]1CCCN(C)C1=O)c1ccc(N(C)C)cc1 828860283 AKDQPBZFSRSTJE-DOMZBBRYSA-N 303.406 1.798 10 10 DDCE CN1C[C@@H]2CCN(CC(=O)NCc3ccc(N(C)C)cc3)[C@H]2C1 839605540 LSSXOBREDVFATD-RDJZCZTQSA-N 316.449 1.005 10 10 DDCE Cc1cc(N(C)C)ccc1CN1C[C@H](C)N(CCO)C[C@H]1C 841891638 NPDDHANBKIBQKQ-JKSUJKDBSA-N 305.466 1.948 10 10 DDCE CC[C@H](C)c1nc(C)c(CC(=O)OCC(=O)C(C)=O)c(C)n1 848867833 QZARKCJGTYUJJZ-VIFPVBQESA-N 306.362 1.851 10 10 DDCE COc1ccc(N2CC[C@@H](N[C@H]3C(=O)NCC3(C)C)C2)cc1 926679850 HOUVSRWJHAIKDA-DOMZBBRYSA-N 303.406 1.388 10 10 DDCE Cc1cc(CS(=O)(=O)NCc2c(O)cccc2F)on1 921452594 TUGVNPJSYRDGHP-UHFFFAOYSA-N 300.311 1.447 10 10 DDCE CC(C)OC(=O)[C@@H](C)CNC(=O)NCc1c(O)cccc1F 920769437 GVKGGLWPYYYXAZ-JTQLQIEISA-N 312.341 1.918 10 10 DDCE Nc1ccc(Cc2nc(C(=O)O[C@H]3CCNC3=O)cs2)cc1 751937593 REXNQARPHHPFLF-LBPRGKRZSA-N 317.370 1.361 10 10 DDCE COC(=O)C1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 855228007 TUUZTKFJEBMZBX-GFCCVEGCSA-N 318.373 1.343 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3[C@@H]4CCCO[C@H]43)C2)cc1 855225441 IYZBPDRPIVRUQP-KKBVYLPWSA-N 316.401 1.815 10 10 DDCE OCCCCCNC[C@H]1CCN(c2ccc3c(c2)OCO3)C1 76440010 SMFXIXUGNMTROA-CQSZACIVSA-N 306.406 1.994 10 10 DDCE CCOc1cccc(CCNC(=O)c2cccc(O)c2O)n1 790886008 YRZHYLYCJSTGTN-UHFFFAOYSA-N 302.330 1.864 10 10 DDCE COc1ccc(CNC(=O)NCCCN2CCCC2=O)c(O)c1 792761870 IMDDJWYXUQAIDH-UHFFFAOYSA-N 321.377 1.213 10 10 DDCE NC[C@@]1(CO)COCCN1Cc1cc(Cl)cc(Cl)c1O 693981715 DYASMMFNPKSCLW-CYBMUJFWSA-N 321.204 1.221 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1c1ccc(CN)cc1F 90921449 KMSNTNMRLQMSPB-LBPRGKRZSA-N 304.412 1.208 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@H](O)C(C)C)cc1C 1317583789 SWMDAEAPDHAJHA-MRXNPFEDSA-N 308.422 1.569 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCCCN1CCO 1325295487 GYPDYPUPHRNJQS-VSKVDJIOSA-N 320.389 1.074 10 10 DDCE CCNC(=O)NC1(C(=O)NCc2ccc(O)cc2O)CCCC1 1451765710 HGTDVHDOPCESGJ-UHFFFAOYSA-N 321.377 1.346 10 10 DDCE C[C@H](O)c1cn(CC(=O)NCc2cccc(Cl)c2O)nn1 1457038174 VLYKZGCJZZPXHO-QMMMGPOBSA-N 310.741 1.007 10 10 DDCE C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1c(O)cccc1F 1558454609 DCUIWLVSUKNTFF-LLVKDONJSA-N 316.332 1.966 10 10 DDCE COc1cc(C(=O)NCc2ccc3cccnc3c2O)ncn1 1639624918 PCDRAKUAMOOPAE-UHFFFAOYSA-N 310.313 1.669 10 10 DDCE COC(=O)/C=C\c1ccc(N2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 1772981181 SBDNWNIPQAXLMV-BRLPQQTGSA-N 320.345 1.988 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@H](C)c2nnc(O)n2C)c1 1685390672 DXICOTQMYIFKNS-SECBINFHSA-N 305.338 1.095 10 10 DDCE NC(=O)C1(N)CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 1964654920 CNHXNEYDGDQSJJ-UHFFFAOYSA-N 318.204 1.478 10 10 DDCE Cc1c(C(=O)N(C)CCN=[N+]=[N-])nn(C)c1Br 2002814854 ILWQCRMYVVEOCD-UHFFFAOYSA-N 301.148 1.873 10 10 DDCE CN(C)c1ccc([C@@]2(O)COC[C@@H]2NC(=O)OC(C)(C)C)cc1 1977960228 UTGHLVAEWCNACG-YOEHRIQHSA-N 322.405 1.864 10 10 DDCE C[C@@H](N)c1ccc(N(C)CCS(=O)(=O)N(C)C)c(F)c1 2151043252 AENRLBLKZOVIBB-SNVBAGLBSA-N 303.403 1.173 10 10 DDCE C[S@@](=O)C1CN(c2cc(Br)c(CN)cc2F)C1 2004525417 GNZRAGIKURTFFT-QGZVFWFLSA-N 321.215 1.614 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2CN(C)C[C@@H]2OC)c1O 2151797454 RKHQSDVAVCFBQS-AAEUAGOBSA-N 300.786 1.473 10 10 DDCE C[C@@H](N)c1ccc(N(C)[C@H](C)CCS(C)(=O)=O)cc1O 2160762437 HMGONCSZEHFKRT-GHMZBOCLSA-N 300.424 1.671 10 10 DDCE CCCS(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@H](N=[N+]=[N-])C1 701318538 IHZRTZCCJXAHGR-UWVGGRQHSA-N 303.388 1.006 10 10 DDCE COc1ccc([C@@H](C)N(C)CCCS(C)(=O)=O)c(O)c1 710593310 XADYZKAGPVUHMT-LLVKDONJSA-N 301.408 1.828 10 10 DDCE COc1ccc(Br)c(CN(O)CCC(=O)O)c1O 2220448987 KLLNGNYMUWZSIM-UHFFFAOYSA-N 320.139 1.829 10 10 DDCE O=C1CCC2(CN(c3ccc(CO)cc3Br)C2)N1 2222143981 GUFMAWDIDYWTEV-UHFFFAOYSA-N 311.179 1.410 10 10 DDCE COc1ncc(CNS(=O)(=O)Cc2ccc(N)cc2)s1 2239979372 ZIVXHHYYGIYWFO-UHFFFAOYSA-N 313.404 1.354 10 10 DDCE Cc1cc([C@H](C)N)ccc1N1CCSC[C@H]1S(C)(=O)=O 2240847836 WCVRWKASLOMWEN-SMDDNHRTSA-N 314.476 1.939 10 10 DDCE CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(O)cc1O 59384982 NRATWFWJOLMYHD-LBPRGKRZSA-N 308.359 1.454 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NCCc2nc(C)no2)c1 103515562 KQICFRUCJNNCJM-VIFPVBQESA-N 320.349 1.695 10 10 DDCE N[C@@H](CC(=O)O)c1cccc(I)c1O 306494258 SZXPUHKOHSUILV-ZETCQYMHSA-N 307.087 1.471 10 10 DDCE O=C(Nc1ccc(-n2cnnc2)nc1)c1cc(O)c(O)c(O)c1 170190654 NUFZFWYNGYDWLV-UHFFFAOYSA-N 313.273 1.031 10 10 DDCE C[C@@H](O)c1cc(F)c(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(F)c1 2361479185 SNVAMKSWJJNELA-JWKOBGCHSA-N 303.330 1.251 10 10 DDCE COc1cc(Cl)cc(CNCCN2CC(OC)C2)c1O 2365510914 SMNVQIWOGAFUPQ-UHFFFAOYSA-N 300.786 1.474 10 10 DDCE CCNCc1ccc(OC)c(CSc2n[nH]c(=O)n2C)c1 81880518 QLDZSLZBMBVESV-UHFFFAOYSA-N 308.407 1.519 10 10 DDCE CS(=O)(=O)CC1CCN(Cc2c(O)cccc2F)CC1 1964594397 MRQNWNAZMKSQCA-UHFFFAOYSA-N 301.383 1.788 10 10 DDCE 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COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](N)C3CC3)C2)cc1 851663398 YNXIXQWBTWBBSF-CJNGLKHVSA-N 318.421 1.310 10 10 DDCE O=S(=O)(c1cccc2nonc12)N1CCOc2ccccc21 765038607 MMSUPXLOPXXTSF-UHFFFAOYSA-N 317.326 1.811 10 10 DDCE COC(=O)C1(C(=O)NCc2ccc3cccnc3c2O)CC1 862026969 FQYJVZLOUNABCD-UHFFFAOYSA-N 300.314 1.510 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 1118118991 JQAUYVHSABFSLG-QDMKHBRRSA-N 315.417 1.626 10 10 DDCE CC1(C)[C@@H](NC(=O)c2cc(O)cs2)C[C@@H]1N1CCOCC1 880503455 YACGXZHGFVBFFY-STQMWFEESA-N 310.419 1.683 10 10 DDCE COc1cc(C)cc(CN[C@@H](CO)C[C@H](O)C(C)(C)C)c1O 894691281 TYBLJFKJKRAYKX-HIFRSBDPSA-N 311.422 1.957 10 10 DDCE CSc1c(C(=O)OCC(=O)c2ccc(O)c(O)c2)cnn1C 784942560 LMQBAUIGVZSLAN-UHFFFAOYSA-N 322.342 1.593 10 10 DDCE C[C@@H](c1c(O)cccc1O)N(C)CC(C)(C)S(C)(=O)=O 713911530 IQTNWKZLQXJREA-JTQLQIEISA-N 301.408 1.914 10 10 DDCE C[C@H](CNCc1cc2c(cc1O)OCO2)CC1(C)OCCO1 715964041 CLZJLLUWEDSDCT-NSHDSACASA-N 309.362 2.000 10 10 DDCE NCc1ccc(N2CCOC[C@@H]2CCO)c(Br)c1 694922131 QLAVHRCVYAOWDX-NSHDSACASA-N 315.211 1.495 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H](O)C23CCC3)cc1F 1333721274 GZRRIYJPLCXQJQ-CABCVRRESA-N 321.396 1.994 10 10 DDCE O=C(O)[C@H](CCF)NCc1ccc(N2CCOCC2)c(F)c1 1332841528 KMWNOSRQAMSPEA-ZDUSSCGKSA-N 314.332 1.565 10 10 DDCE CC(C)(C)OC(=O)NCC=CCNCc1ccc(O)c(O)c1O 1911691844 BZPCOXFCPWWEHV-UHFFFAOYSA-N 324.377 1.974 10 10 DDCE CCOC(=O)c1cn(CC)nc1NC(=O)c1cccc(O)c1O 1472287957 WXYXWKYQVXNZMJ-UHFFFAOYSA-N 319.317 1.743 10 10 DDCE CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc(O)c1O 1627718487 MHHBTFXZSAIQOF-JTQLQIEISA-N 310.375 1.091 10 10 DDCE CC(C)NC(=O)CN(C)c1ccc(CN)c(Br)c1 228150532 FNGROHTYDGIHRY-UHFFFAOYSA-N 314.227 1.869 10 10 DDCE NC(=O)c1ccccc1CCC(=O)NCc1cccc(O)c1O 1633515851 SWNNVKHIHRKLDI-UHFFFAOYSA-N 314.341 1.446 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2cc[nH]n2)cc1C 1569045659 AXSBWYIKGBSAOF-LBPRGKRZSA-N 302.378 1.635 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCC[C@H]2C=NNC2=O)cc1 1641483201 FDYKVTKRPKKJPZ-JTQLQIEISA-N 316.321 1.091 10 10 DDCE C[C@@H](CC(=O)NCc1c(O)cccc1O)NC(=O)C1CCCC1 1597573453 DVHZFBFRUVMTPD-NSHDSACASA-N 320.389 1.799 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)NCCN=[N+]=[N-] 1885562691 JKAFDISHRVPOHL-SECBINFHSA-N 301.347 1.079 10 10 DDCE CCOC(C)(C)CS(=O)(=O)N(C)Cc1ccc(N)cc1 2144948249 SIOVGFHRBHBQCB-UHFFFAOYSA-N 300.424 1.846 10 10 DDCE CC(=O)C(=O)[C@]1(O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 1974702464 AZLYUIXDISONTL-GLKRBJQHSA-N 311.378 1.541 10 10 DDCE CN1CCN(c2ccc(N)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 1977932698 CCLXJRXRCSHQTA-HNNXBMFYSA-N 320.437 1.914 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](NCc2ccccc2O)[C@H](O)C1 1981515315 RJTZTUUCJJSUGP-DZGCQCFKSA-N 322.405 1.852 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2Cl)[C@H](O)C(=O)N3)CC[S@@]1=O 2171959366 JBZBTJHSGGVGCC-DKZRERMLSA-N 314.794 1.283 10 10 DDCE CN1CC[C@@H](N(C)c2ccc(CN)cc2Br)C1=O 690235707 YMWHIUKQDUBNFD-GFCCVEGCSA-N 312.211 1.575 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N=S2(=O)CCCC2)cc1 380965585 RINOEBGGJHGXOL-UHFFFAOYSA-N 318.420 1.239 10 10 DDCE 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1.988 10 10 DDCE CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)c(OCC)c1 59465069 GJZSIOAUQZCUFD-UHFFFAOYSA-N 304.302 1.233 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCC[C@H](Cn3ccnn3)C2)c1 119283037 WTOILGGKUYSENE-LBPRGKRZSA-N 317.349 1.804 10 10 DDCE C[C@]1(O)CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 317631890 VNDMRJZYRDMZKB-AWEZNQCLSA-N 307.306 1.277 10 10 DDCE Cc1cc(NS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)ccc1O 148645584 NGGMCOKKKOJWML-UHFFFAOYSA-N 314.750 1.843 10 10 DDCE CC(=O)N(C)CC(=O)NCc1cc(Br)ccc1O 804738814 FNHHOARAAUAXOU-UHFFFAOYSA-N 315.167 1.249 10 10 DDCE COC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 298836723 DISXYPJLNHGKNX-CYBMUJFWSA-N 305.378 1.457 10 10 DDCE C[S@@](=O)CC1CN(c2ccc(CN)c(C(F)(F)F)c2)C1 2166657789 RBBORXSUYHXAPC-HXUWFJFHSA-N 306.353 1.979 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3CCN[C@@H](C)C3)CC2)cc1 391086806 NCIUEYMKHRIBNF-GJZGRUSLSA-N 317.433 1.732 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3[nH]cnc3C)C2)cc1 824372477 CYWDEKIQZINKBF-GFCCVEGCSA-N 300.362 1.735 10 10 DDCE 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NCc1ccc(N2CC(S(=O)(=O)C(F)(F)F)C2)c(F)c1 2237657492 KBZSNFBNQDMTML-UHFFFAOYSA-N 312.288 1.408 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)O2)s1 2269119863 XLLXDBVNZRZLBG-JGVFFNPUSA-N 302.377 1.113 10 10 DDCE CO[C@]1(CN)C[C@H](C(=O)NCc2cnc(SC)s2)C1 2269250948 AWRUFCXEONAXAD-LYWQIFSTSA-N 301.437 1.235 10 10 DDCE CSc1ncc(CN=c2nc(C(N)=S)[nH]cc2C)s1 2269242328 ODVYUVIMSXBKCB-UHFFFAOYSA-N 311.461 1.632 10 10 DDCE CSc1ncc(CNC(=O)C[C@@H]2CNCCOC2)s1 2269200038 LHGJLKFUWPFELR-SECBINFHSA-N 301.437 1.107 10 10 DDCE Cc1ccc(CN[C@H](C(N)=O)C2CC2)c(O)c1Br 2327626896 QBNZSWLBRWHIRU-NSHDSACASA-N 313.195 1.817 10 10 DDCE CCN[C@H]1C(=O)Nc2cc(N(C)CCN(C)C)c(Cl)cc21 118706570 LKFCMIIKCHPKJG-CQSZACIVSA-N 310.829 1.941 10 10 DDCE NN1C(=O)/C(=C\c2cccc(OCC(=O)O)c2)SC1=S 212470158 DADQPZYCLALQJI-WEVVVXLNSA-N 310.356 1.225 10 10 DDCE CCc1nnc(CN(C)c2ccc(OCC(=O)OC)cc2)n1C 183811088 ZACYYTATLXUHMM-UHFFFAOYSA-N 318.377 1.566 10 10 DDCE NC(=O)c1ccccc1NS(=O)(=O)Cc1ccc(N)cc1 36128964 GSIWPUWMELVUIH-UHFFFAOYSA-N 305.359 1.310 10 10 DDCE C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)CSC1=S 82337246 OZJNSLJMFDOEMH-VIFPVBQESA-N 306.412 1.825 10 10 DDCE C=CS(=O)(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 1198566233 DOACBFZDIMTPBH-SSDOTTSWSA-N 300.405 1.857 10 10 DDCE COc1cc(Cl)c(N2C[C@H](O)[C@H](N(C)C)C2)c(OC)c1 2368117357 LOSUZJCWZNFMGG-NEPJUHHUSA-N 300.786 1.468 10 10 DDCE Cc1cc(Br)cc([C@@H](N)CS(C)(=O)=O)c1O 95769629 WTLDCYWOKJNRIH-VIFPVBQESA-N 308.197 1.508 10 10 DDCE CC(=O)N1CCN(C(=S)N(C(C)=O)c2ccc(N)cc2)CC1 242677840 CUEPHPGMNFEQOD-UHFFFAOYSA-N 320.418 1.071 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3CSC(=O)N3)CC2)cc1 266756969 FKJQWFXYYWBZBC-CYBMUJFWSA-N 321.402 1.169 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccnn1C 274994083 ZHNNOENOHVKTCH-NSHDSACASA-N 303.362 1.511 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)c1nnc(N)s1 722242013 URPVDHFBMAHSOW-SSDOTTSWSA-N 314.392 1.208 10 10 DDCE Cc1cc(O)c(CN2CCC[C@H]2CS(N)(=O)=O)cc1Cl 824813709 HYBDTNMLYBYYDH-NSHDSACASA-N 318.826 1.607 10 10 DDCE 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304.350 1.246 10 10 DDCE Cc1cn2nc(C(=O)NCc3c(O)cccc3F)cc2c(=O)[nH]1 1645049978 AGINIHNZYHHLNM-UHFFFAOYSA-N 316.292 1.106 10 10 DDCE CC(C)C(=O)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 1772911316 LZKIOFQMNDWTSA-XQRVVYSFSA-N 318.373 1.438 10 10 DDCE CCS(=O)(=O)CCOc1ccc(N2CCNCC2)c(C)c1 161691006 SRBKSMOGJRUFKQ-UHFFFAOYSA-N 312.435 1.218 10 10 DDCE CS(=O)(=O)N1CCC[C@H](NCc2ccc(Cl)cc2O)C1 1964039989 ZWEQUALKQNPMDU-LBPRGKRZSA-N 318.826 1.559 10 10 DDCE NCc1ccc(N2CCC[C@@]23CC[S@](=O)C3)c(F)c1F 2158464311 GHBDPJWBUCMHGQ-XOBRGWDASA-N 300.374 1.915 10 10 DDCE O=S1(=O)CCCC[C@H]1CNCc1ccc(F)c(F)c1O 703294631 JCFQYYHOMRYNTK-JTQLQIEISA-N 305.346 1.727 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H](F)C3)c(Br)cc21 689855261 LKVXWDVKLMSWFS-KGFZYKRKSA-N 314.158 1.949 10 10 DDCE Cc1ccc(CN(C)C(=O)c2cnn3c(O)cc(C)nc23)nc1 2063460154 WQOGHIDELBVBHM-UHFFFAOYSA-N 311.345 1.719 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)C1CCC(N2CCOCC2)CC1 2063666656 ALTUDRHBDFMYDQ-UHFFFAOYSA-N 320.389 1.927 10 10 DDCE 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Cn1cc2c(n1)CCC[C@H]2C(=O)NCc1cc(O)ccc1O 1303226121 XKGUZYSEFRHKPX-GFCCVEGCSA-N 301.346 1.568 10 10 DDCE CNc1cnc(C(=O)NCc2ccc3c(c2)CCCN3C)cn1 1261793571 NBMBFLCRJRLHIR-UHFFFAOYSA-N 311.389 1.831 10 10 DDCE C[C@H](NC(=O)NC[C@H](C)N1CCN(C)CC1)c1ccccc1O 1346995903 DHHPKKFYWACAHD-KBPBESRZSA-N 320.437 1.388 10 10 DDCE CNC(=O)c1cccc(N(C)C(=O)Cc2ccc(O)c(O)c2)c1 1558442717 NBMWBAHMKJDCNS-UHFFFAOYSA-N 314.341 1.663 10 10 DDCE COc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ncn1 1638347057 BKWXPQIRGDFUQE-VIFPVBQESA-N 303.318 1.257 10 10 DDCE O=C(N[C@H](CO)C(=O)OCc1ccccc1)c1cc(O)cs1 1632169599 ZXLSZWMMQQVIPZ-GFCCVEGCSA-N 321.354 1.288 10 10 DDCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)c2cnn[nH]2)cc1C 1733978774 MDUXBPMHTWVPKB-VXGBXAGGSA-N 317.393 1.418 10 10 DDCE COC(=O)c1ccc([N+](=O)[O-])c(NCc2cc(O)ccc2O)n1 1643130420 XTZZTIDSJNFJEE-UHFFFAOYSA-N 319.273 1.800 10 10 DDCE CCN[C@H](C)c1ccc2c(c1)CCCN2CCS(N)(=O)=O 162264703 UEDFSCYZMWZNRI-GFCCVEGCSA-N 311.451 1.398 10 10 DDCE COc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)c([N+](=O)[O-])c1 1865876044 OMCOVBQDYBLRNQ-UHFFFAOYSA-N 320.257 1.973 10 10 DDCE CNC(=S)NC1CCN(CCOc2ccc(N)cc2)CC1 586051915 HTHJSSURNXCPJT-UHFFFAOYSA-N 308.451 1.206 10 10 DDCE CNC(=O)NCCCNCc1cc(Br)ccc1O 1964612465 XKQMCINJLPASFW-UHFFFAOYSA-N 316.199 1.563 10 10 DDCE C[C@H]1C[S@](=O)CCN1c1ccc(CN)c(Br)c1 2004538345 OGHHJZYAWUDUSZ-HUTHGQBESA-N 317.252 1.865 10 10 DDCE CC(C)(C)OC(=O)N1CCN(Cc2ccc(N)cc2)[C@H](CO)C1 1977926007 KICQSYBYZPEBCL-HNNXBMFYSA-N 321.421 1.682 10 10 DDCE CNC(=O)OCCNCc1c(O)cccc1Br 1998214156 NVWRNYONANGWHY-UHFFFAOYSA-N 303.156 1.600 10 10 DDCE NCc1cc(F)c(N2C[C@H]3C[C@@]3(CO)C2)cc1Br 2029646245 NYODIRMXEQNVEH-RNCFNFMXSA-N 315.186 1.866 10 10 DDCE CO[C@@H]1CN(C)C[C@H]1NCc1ccc(Br)cc1O 2034336302 QNWZXRYAQOJCME-DGCLKSJQSA-N 315.211 1.573 10 10 DDCE NCc1cc(F)c(N2CCCCC2(CO)CO)cc1Cl 2177381709 QDFBYNRLQIYITR-UHFFFAOYSA-N 302.777 1.652 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)c1ccc(CN)c(OC)c1 2204558215 ZQDOEUINMZVDDU-LLVKDONJSA-N 300.424 1.413 10 10 DDCE CSc1ncc(CNC(=O)NC[C@@H]2C[C@@H]2C(=O)O)s1 2269122840 DJLDRNJEWOPSRH-XPUUQOCRSA-N 301.393 1.385 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H]3C[C@H]3[C@H]2C(=O)O)s1 2284504948 QNWLKCRWFAMGLQ-ZQARSLAVSA-N 313.404 1.480 10 10 DDCE COC(=O)C=C1C=C2c3cc(OC)c(OC)cc3CCN2C1=O 2297475462 ZHFNNIJERXDCPO-UHFFFAOYSA-N 315.325 1.542 10 10 DDCE CN(C)C(=O)N1CCN(c2ccc3c(c2)CC(=O)N3C)CC1 62576041 OBNSYOOHSGTTDB-UHFFFAOYSA-N 302.378 1.009 10 10 DDCE C[C@H]1[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2O)CCS1(=O)=O 172437188 MNLRYOAYUNZOSG-ZJUUUORDSA-N 314.363 1.308 10 10 DDCE C[C@H](NC(=O)NCC[C@@H](C)O)c1ccc(N2CCOCC2)cc1 114826313 HABIKLXCJFJSFQ-KGLIPLIRSA-N 321.421 1.654 10 10 DDCE CO[C@]12C[C@@H](CO)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 31545155 LVXVIPZBNJSUKL-NJAPINKUSA-N 300.402 1.889 10 10 DDCE COC(=O)c1ccc(S(=O)(=O)Nc2ccc(N)cc2)cc1 36283793 XRTMISYNEOVDKY-UHFFFAOYSA-N 306.343 1.856 10 10 DDCE C[C@H]1CCc2nc(C=C3C(=O)N(C)C(=O)N(C)C3=O)sc2C1 121857033 AWBVIWAWKGLUOE-QMMMGPOBSA-N 319.386 1.702 10 10 DDCE CN1C[C@@H](c2cc(NC(=O)OC(C)(C)C)ccc2O)NCC1=O 1952165669 UVSWINVEJBMUPZ-LBPRGKRZSA-N 321.377 1.842 10 10 DDCE COc1ccc(N(C)[C@@]2(CN)CCC[C@H]2S(C)(=O)=O)cc1 250216815 DZYPXKDVOFANLD-HUUCEWRRSA-N 312.435 1.426 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@@]3(CCCOC3)C1)OCO2 285124926 PMMKNYICXJWMHL-INIZCTEOSA-N 307.346 1.502 10 10 DDCE NC(=S)C[C@@H](NC(=O)c1ccc(O)c(O)c1)C(F)(F)F 2164543797 NSRPFHDEEYFRNH-MRVPVSSYSA-N 308.281 1.435 10 10 DDCE O=C(C1CC1)[C@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1 801265811 APNIMVFETSWGJW-ANPLFTBSSA-N 317.341 1.318 10 10 DDCE C[C@@H](ONC(=O)OC(C)(C)C)[C@@H](N)Cc1ccc(O)c(O)c1 1952842012 XMNWQYOUXMHHMM-KOLCDFICSA-N 312.366 1.812 10 10 DDCE Cn1cnnc1N1CCN(Cc2cccc(Cl)c2O)CC1 848924853 DPCUZGKDGOSNFG-UHFFFAOYSA-N 307.785 1.496 10 10 DDCE COc1cc(O)c(CN[C@@H]2CNCCC2(F)F)cc1OC 841075468 QAZBQKGULYBFCU-CYBMUJFWSA-N 302.321 1.496 10 10 DDCE CC(C)(C)OC(=O)N1CC(=O)N[C@H](c2cccc(N)c2O)C1 1953020627 HLIJHNCDJXKREX-NSHDSACASA-N 307.350 1.382 10 10 DDCE CCN(CC)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855230685 HUURYBJEUQMMNA-AWEZNQCLSA-N 305.422 1.732 10 10 DDCE CN1CC(CN(C)C(=O)NCc2ccc(N3CCCC3)cc2)C1 851986670 DOEBYTSLCHWMTI-UHFFFAOYSA-N 316.449 1.990 10 10 DDCE O=S(=O)(C[C@H]1CCCOC1)NCc1c(O)cccc1F 921452309 LDBLMOKVTKFNFR-JTQLQIEISA-N 303.355 1.377 10 10 DDCE COc1ccc(N(C)CCN(C)C[C@@H]2CCC3(CNC3)O2)cc1 852753819 SRKYLRJYHABNLB-KRWDZBQOSA-N 319.449 1.584 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C[C@@H]1CCCC(=O)N1 935945633 FDOOBIBGUSAABR-NSHDSACASA-N 311.378 1.553 10 10 DDCE C[C@@H](NCC(C)(C)CS(N)(=O)=O)c1cc(F)ccc1O 866571231 BCQKUOIBXWYBPO-SECBINFHSA-N 304.387 1.497 10 10 DDCE COc1ccc(N2CCCN([C@H]3CCC(=O)NC3=O)CC2)cc1 765961711 DZBVTVRKNDFFDP-HNNXBMFYSA-N 317.389 1.013 10 10 DDCE CC(C)(CNS(C)(=O)=O)NCc1cc(F)cc(F)c1O 708335772 PXIRSVJQKNMPOB-UHFFFAOYSA-N 308.350 1.088 10 10 DDCE COc1cc(Cl)cc(CNC2CC(S(C)(=O)=O)C2)c1O 715251013 RDIYVGUBZLIBKK-UHFFFAOYSA-N 319.810 1.719 10 10 DDCE CCn1nccc1S(=O)(=O)NCc1ccc(OC)cc1O 795357572 GRUSSAOADMEZJP-UHFFFAOYSA-N 311.363 1.096 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@@H]2C(N)=O)cc1 1141584202 GOCVUQQJSYWMSQ-LLVKDONJSA-N 303.322 1.329 10 10 DDCE CSc1c(C(=O)NCCc2ccc(O)c(O)c2)cnn1C 790794256 PRACLFRMCYTTEH-UHFFFAOYSA-N 307.375 1.526 10 10 DDCE CC(=O)NCc1cccc(C(=O)NCc2cc(O)ccc2O)c1 1153885015 JEOXNORTLVKPBN-UHFFFAOYSA-N 314.341 1.664 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cc(S(N)(=O)=O)oc2C)c1 1301046739 JHCBQYUMNLKLPU-UHFFFAOYSA-N 324.358 1.179 10 10 DDCE CS(=O)(=O)N1CC[C@H](NCc2ccc(Cl)cc2O)C1 1660171525 SJAPWNRDJUUATG-NSHDSACASA-N 304.799 1.169 10 10 DDCE CCN[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1265382442 OAEUHHFSIFPPFC-ZDUSSCGKSA-N 303.366 1.967 10 10 DDCE Cc1cc(CC(=O)NC[C@@H](O)CO)c(C)n1-c1ccccc1 1603007789 MUNFOFSEQOJJQM-MRXNPFEDSA-N 302.374 1.106 10 10 DDCE C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1O 1471193401 DPIJJJKGYTZWLH-SNVBAGLBSA-N 320.370 1.531 10 10 DDCE Cc1sc(=O)n(CCC(=O)NCc2cc(O)ccc2O)c1C 1558174112 DUCFOVJMMZSZNA-UHFFFAOYSA-N 322.386 1.644 10 10 DDCE COc1cccc(CC(=O)NCCc2ccc(O)c(O)c2)n1 1566370360 XKVDYKCWAZSPQV-UHFFFAOYSA-N 302.330 1.403 10 10 DDCE CCOCCOC1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1566949194 WALGLBUBOQFYSR-UHFFFAOYSA-N 320.349 1.727 10 10 DDCE O=C(Cc1cnn2c1CCCC2)NCc1cc(O)ccc1O 1644753763 JANKKFGFTWESSB-UHFFFAOYSA-N 301.346 1.490 10 10 DDCE CC(=O)C(=O)[C@H](O)c1cccc(I)c1 1929137704 TZGODNSEZBCPOR-SNVBAGLBSA-N 304.083 1.483 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2nc[nH]n2)cc1C 1774041718 KZUMCNQRBHPWMA-NSHDSACASA-N 303.366 1.030 10 10 DDCE COc1cc(Cl)cc(CN2CC(C)(OCC(=O)O)C2)c1O 161853865 OMOGAAITRKESMW-UHFFFAOYSA-N 315.753 1.730 10 10 DDCE C[C@H]1C(=O)NC(=O)CN1c1ccc(CNC2CC2)cc1Cl 164133957 PFVBFGBJDQBRAE-VIFPVBQESA-N 307.781 1.443 10 10 DDCE Cc1ccc(O)c([C@@H](C)N[C@H](C)CS(=O)(=O)N(C)C)c1 1967465116 JAOXFHRAWVUYSM-VXGBXAGGSA-N 300.424 1.631 10 10 DDCE Cc1ccc(O)c([C@H](C)N(C)CCS(=O)(=O)N(C)C)c1 2151048575 YMPKJOAGUKKOMJ-LBPRGKRZSA-N 300.424 1.585 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccc(N)cc1 1987541756 AOPWSZSODVYJCA-GJZGRUSLSA-N 321.421 1.729 10 10 DDCE C[C@@H](CS(=O)(=O)N(C)C)N[C@H](C)c1cc(O)ccc1O 2151097521 GFUNGPALEXWWOP-VHSXEESVSA-N 302.396 1.028 10 10 DDCE CCON(C(C)C)S(=O)(=O)CCOc1ccc(N)cc1 401258626 VVCNCNYIGJMHCE-UHFFFAOYSA-N 302.396 1.639 10 10 DDCE NC(=O)C[C@@H]1CCN(c2ccc(CO)cc2Br)C1 690710586 MUNUWKPQVILIQJ-VIFPVBQESA-N 313.195 1.643 10 10 DDCE CN(C)C[C@@H](O)CNCc1cc(Br)ccc1O 717342497 QPTSXTFPBULQCB-NSHDSACASA-N 303.200 1.167 10 10 DDCE C[C@H](c1c(O)cccc1F)n1ncc(S(C)(=O)=O)c1O 2070261609 BCNNIHPLFBQZNI-SSDOTTSWSA-N 300.311 1.446 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3C[C@H](C2)[C@@H](O)[C@H]3O)cc1Cl 2182542714 LDMACDSFKMQSMF-OGXIQJDLSA-N 300.761 1.116 10 10 DDCE NCc1ccc(N2CC[C@@H](OCCO)C2)cc1Br 2046762147 TVCPXLMRLGVBCZ-GFCCVEGCSA-N 315.211 1.495 10 10 DDCE Nc1ccc(N2CCN(C(=O)C3(Br)CC3)CC2)cc1 2111896895 ZKFRSYFYHPJIHD-UHFFFAOYSA-N 324.222 1.845 10 10 DDCE CP1(=O)CCN(CCNCc2ccc(F)cc2O)CC1 2204745949 ALVXMNYIAABIOO-UHFFFAOYSA-N 300.314 1.929 10 10 DDCE [N-]=[N+]=N[C@H]1CCC[C@H]1NC(=O)NC1CCS(=O)(=O)CC1 2234172136 RMFORLHQLTVTFE-ZJUUUORDSA-N 301.372 1.094 10 10 DDCE CO[C@@H](C)CS(=O)(=O)[C@H](C)C(=O)Nc1ccc(N)cc1 2283826228 MLVYKOZRWCKMLO-VHSXEESVSA-N 300.380 1.046 10 10 DDCE O=C(NC1CC1)[C@H]1CCCN1C(=O)C=Cc1ccc(O)c(O)c1 2307986339 PDYGPIABIIQYFY-CYBMUJFWSA-N 316.357 1.381 10 10 DDCE Nc1ccc(OC[C@@H](O)Cn2cc(Br)cn2)cc1 51327343 RKPROMTZIIRBPC-NSHDSACASA-N 312.167 1.668 10 10 DDCE CC(C)(C)NCc1ccc(N2CCS(=O)(=O)CC2)c(F)c1 62736137 FSIWCXIWSHEXMW-UHFFFAOYSA-N 314.426 1.949 10 10 DDCE Cc1cc(=O)[nH]cc1C(=O)NCc1ccc2c(c1)CCCN2C 126323716 BDMKEYVWVCALCK-UHFFFAOYSA-N 311.385 1.996 10 10 DDCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)N1CCOCC1 35364755 OCHQMNPFQORSGH-UHFFFAOYSA-N 313.423 1.058 10 10 DDCE C[C@](N)(CC(=O)O)c1ccc(I)cc1O 238496499 UBWQGARXOHREMA-JTQLQIEISA-N 321.114 1.645 10 10 DDCE Cc1cc(Cl)cc(CN2CCC[C@H](S(N)(=O)=O)C2)c1O 364138001 WXXAALSLRPCPGH-LBPRGKRZSA-N 318.826 1.607 10 10 DDCE COCCN1CCCN(Cc2ccc(N(C)C)c(F)c2)CC1=O 373732825 HXLKEEONWKALPE-UHFFFAOYSA-N 323.412 1.572 10 10 DDCE C[C@@H](N[C@H]1CCCNC1=O)c1ccc(N2CCOCC2)c(F)c1 296390437 KADFTCKEKUQGMN-DOMZBBRYSA-N 321.396 1.592 10 10 DDCE C[C@@H](N[C@@H]1CNCCC1(F)F)c1cc([N+](=O)[O-])ccc1O 817979849 FKCGUDFHVZGLGT-PRHODGIISA-N 301.293 1.948 10 10 DDCE C[C@@H]1C(=O)N(C)CN1C(=O)NCCCSc1nccs1 826692661 JQQDRFDMSZLIBC-SECBINFHSA-N 314.436 1.455 10 10 DDCE CC(C)c1oncc1CNC(=O)CN1C(=O)CSC1=S 585362892 FDLJPPFXCQTXPA-UHFFFAOYSA-N 313.404 1.275 10 10 DDCE O=C(NCc1ccccc1O)NC[C@H]1CCC2(CCOCC2)O1 915526471 ZEXAEFSNZMIXPG-CQSZACIVSA-N 320.389 1.920 10 10 DDCE COc1ccc(N2CC[C@H](N3C(=O)N(C)C(C)(C)C3=O)C2)cc1 849358449 WEUUMALGGCZASA-ZDUSSCGKSA-N 317.389 1.947 10 10 DDCE c1cc2c(cc1CNC[C@@H]1CCN1C1CCOCC1)CCO2 922951155 TZELFWLIUZBPOJ-KRWDZBQOSA-N 302.418 1.964 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cc3ccnn3C)C2)cc1 855227379 YDGFHLPAUZNTQV-ZDUSSCGKSA-N 314.389 1.366 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCOC[C@@H]1CCO 758501820 HLOZCKBZSOZOKJ-INIZCTEOSA-N 321.421 1.354 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CNC[C@@H]2CC3(CCOCC3)CO2)c1 865781637 QMHAAZJJYAQGEN-AWEZNQCLSA-N 322.361 1.976 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cnc2n1CCC2 783532183 KZUQJSUPXUQOFO-UHFFFAOYSA-N 313.766 1.989 10 10 DDCE CCn1nc2c(cc1=O)CN(Cc1cc(F)cc(F)c1O)CC2 894070034 MLKCJDUSTZKLEH-UHFFFAOYSA-N 321.327 1.805 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@@H]2COC[C@H]2O)c(Br)c1 708618414 LTIRRJUQHXLDHU-ZEGGKSINSA-N 316.195 1.698 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@]1(c2ccccc2)C[C@H](O)C1 1633980712 GXLALWITQUAALQ-UJKQEGAGSA-N 313.353 1.807 10 10 DDCE N[C@@H]1CC(C(=O)N2CCc3cc(Br)ccc32)=C[C@@H]1O 2131469968 NGEJNUVELGJIPG-YPMHNXCESA-N 323.190 1.357 10 10 DDCE C[C@](CO)(NC(=O)c1cccc(O)c1O)c1ccc(O)cc1 1469484021 PRVRJFDGQXXSIN-MRXNPFEDSA-N 303.314 1.441 10 10 DDCE CCn1cc([N+](=O)[O-])c(C(=O)NCc2c(O)cccc2F)n1 1471976294 VLPWUIUSKFFDLD-UHFFFAOYSA-N 308.269 1.586 10 10 DDCE COc1cccc(CNC(=O)Cn2c([N+](=O)[O-])cnc2C)c1O 1545684332 SDRZAEQEZDTZSK-UHFFFAOYSA-N 320.305 1.130 10 10 DDCE O=C(NCc1ccccc1O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1622772893 MWOJRODSOVGWCO-AWEZNQCLSA-N 302.286 1.650 10 10 DDCE CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCN2CCO[C@H]1C2 1556735189 CJGLQTAPLQIAMB-BRFWBLJHSA-N 318.373 1.043 10 10 DDCE CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1c(O)cccc1O 1558534190 PJDUNORDMJTZII-CYBMUJFWSA-N 320.389 1.895 10 10 DDCE O=C(CCc1nn[nH]n1)NCc1cc(Cl)cc(Cl)c1O 1637134171 LUEBKSXBSKMMKN-UHFFFAOYSA-N 316.148 1.461 10 10 DDCE CCC(=O)NCC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1747744688 YHBVARXTXWEWFV-UHFFFAOYSA-N 317.349 1.638 10 10 DDCE COC(=O)[C@@H]1C[C@H]2CCC[C@@H]2N1C(=O)Cc1ccc(N)cc1 1866324325 UEHLAKCWMQYNSB-SNPRPXQTSA-N 302.374 1.754 10 10 DDCE COC[C@H]1CNCCN1Cc1cc(Cl)cc(OC)c1O 2144739518 KLHLVTSOIKEENT-GFCCVEGCSA-N 300.786 1.474 10 10 DDCE C[S@@](=O)C1CN(c2ccc(CN)c(Br)c2)C1 1981169298 ASQPDQBQJGGVOR-MRXNPFEDSA-N 303.225 1.475 10 10 DDCE OCc1ccc(N2CC([C@H](F)CO)C2)cc1Br 2001919145 BQXDBUFRXCWDQH-GFCCVEGCSA-N 304.159 1.708 10 10 DDCE CO[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1N 2009273509 SGNGLUILJAXPPB-ZYHUDNBSSA-N 301.184 1.313 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1CCNC[C@H]1CO 2016909048 ZWMITLLTQADKSI-GZMMTYOYSA-N 300.200 1.414 10 10 DDCE NCc1ccc(N2C[C@H](CO)C[C@@H]2CO)c(Br)c1 2029385998 YQRCMABPLYCUCU-GHMZBOCLSA-N 315.211 1.087 10 10 DDCE NCc1ccc(N2CCSC[C@H]2CO)c(Br)c1 387809343 RTKANCBHAZXDSW-SNVBAGLBSA-N 317.252 1.822 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H](CCO)C(C)(C)C)c2n1 2062995864 JYXMHCAHEUJTKR-NSHDSACASA-N 306.366 1.270 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC3CC4(CO[C@@H](C)C4)C3)c2n1 2064056709 HURBWLAUGUINOT-SGWRBKMISA-N 316.361 1.431 10 10 DDCE COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 2183614918 AGIPBEPZRWDQTE-NXEZZACHSA-N 304.372 1.148 10 10 DDCE CC(C)(C)S(=O)(=O)CCCNCc1ccc(O)c(O)c1 2191418140 HGQQMZOXCFMDJY-UHFFFAOYSA-N 301.408 1.791 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1CCn2cnnc2C1 2228336984 PNHPDBMUZBXUDB-SNVBAGLBSA-N 323.194 1.851 10 10 DDCE CO[C@@H]1CC[C@@H]1CS(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 2239428767 ZTMQZMUFJADSCG-VXGBXAGGSA-N 302.400 1.764 10 10 DDCE COC[C@@]1(C(=O)NCc2cnc(SC)s2)CCCCN1 2284508410 QSYCKOKAWSWNGX-CYBMUJFWSA-N 315.464 1.640 10 10 DDCE Cc1cc(N(C)CCN(C)S(C)(=O)=O)ccc1[C@@H](C)O 2285163724 KOBWJHLSYISKCC-GFCCVEGCSA-N 300.424 1.376 10 10 DDCE COc1cc(OC)c(N2CCO[C@H](CCN)C2)cc1Cl 2285934551 FDVOHCGEXNGRPU-SNVBAGLBSA-N 300.786 1.911 10 10 DDCE COC(=O)[C@@H](C)N1C(=O)C(=Cc2ccccn2)SC1=S 2297465478 LSMREKBZHKXJPJ-MRVPVSSYSA-N 308.384 1.844 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@H]1CCC[C@@H]1O 2302275759 KGQOMYOJFZLOAX-IRXDYDNUSA-N 316.401 1.566 10 10 DDCE CCOC(=O)COc1ccc(C=C2C(=O)NN=C2C)cc1OC 2314487627 GSUUSKHLIBDJDM-UHFFFAOYSA-N 318.329 1.526 10 10 DDCE Cc1ccc(CN(CCO)C[C@@H](C)O)c(O)c1Br 2327788339 CLASWMILPBJYKR-SNVBAGLBSA-N 318.211 1.638 10 10 DDCE O=S1(=O)C[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]21 2336548162 GZVMIZRPIQJHCY-KCJUWKMLSA-N 322.213 1.928 10 10 DDCE COc1ccc(CN(C)CC2CCN(C[C@@H](C)O)CC2)c(O)c1 179517854 NMUGPSZDBLMHNY-CQSZACIVSA-N 322.449 1.925 10 10 DDCE Cc1cc(C(=O)N2CCNC(=O)CC2)c(C)n1-c1ccccn1 65902366 HZVLOVMDLPADDX-UHFFFAOYSA-N 312.373 1.451 10 10 DDCE COc1ccc(CN2CCC(N3CCNC3=O)CC2)c(O)c1 127594078 RXHKKKAAMSBBAW-UHFFFAOYSA-N 305.378 1.390 10 10 DDCE COCCO[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 188827471 NYNOTDVDOXRVMM-SFHVURJKSA-N 320.433 1.761 10 10 DDCE COc1ccc(Br)c(CNC2(C(N)=O)CC2)c1O 1964569566 LRORLHPNNFDVQE-UHFFFAOYSA-N 315.167 1.271 10 10 DDCE CC(C)(C)OC(=O)N[C@@]1(Cc2ccc(O)c(O)c2)CCNC1 1952170053 IKUDJESLZGWQDN-MRXNPFEDSA-N 308.378 1.897 10 10 DDCE CC(=O)N(c1ccc(N)cc1)S(=O)(=O)NC1CCCCC1 242410615 BGFNGDZJGYVALJ-UHFFFAOYSA-N 311.407 1.789 10 10 DDCE C[C@H]1COCC[C@@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 277571307 VBRGYJPFVXIGAM-YOEHRIQHSA-N 319.449 1.726 10 10 DDCE CN1CC[C@@H](C(=O)NCc2cc(Br)ccc2O)C1 804737076 DCDGFZJMZCBOFB-SECBINFHSA-N 313.195 1.723 10 10 DDCE COC(=O)[C@@H]1COCCN1Cc1cc(Cl)c(F)cc1O 295262589 HASULYOMMUAHIU-NSHDSACASA-N 303.717 1.559 10 10 DDCE CN1CCN(c2ccc(CN3CC[C@@H]4CN(C)C[C@H]43)cc2)CC1 814174120 YYBXNYLVJPYONG-IEBWSBKVSA-N 314.477 1.574 10 10 DDCE CCN(CC)CCS(=O)(=O)NCc1ccc(OC)cc1O 810076459 BYLIWHCKPLIMGL-UHFFFAOYSA-N 316.423 1.162 10 10 DDCE COC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)Cc1ccc(N)cc1)C2 831748933 SDRNZCRVYHJIIL-CFVMTHIKSA-N 317.389 1.547 10 10 DDCE O=C(NCc1cc(Br)ccc1O)[C@H]1C[C@H]1C(=O)O 911556967 XVSFXGNXTGWMJR-DTWKUNHWSA-N 314.135 1.492 10 10 DDCE CN(C)CCn1nccc1C(=O)N1Cc2cccc(O)c2C1 913726446 PGSMIEQYADQULG-UHFFFAOYSA-N 300.362 1.306 10 10 DDCE Cn1cc(CNCc2ccc(N3CCOCC3)c(F)c2)nn1 742367006 CFIBMJIOLMPJRL-UHFFFAOYSA-N 305.357 1.081 10 10 DDCE COC(OC)[C@H](C)NCc1ccc(N2CCC(O)CC2)cc1 922314501 ZELGTFKVLWZAJS-ZDUSSCGKSA-N 308.422 1.745 10 10 DDCE C[C@@H]1CCNC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C 841760137 TXAAEGBPBVUVAN-CJNGLKHVSA-N 316.449 1.866 10 10 DDCE CSC[C@@H]1NC(=O)N(Cc2ccc(N(C)C)c(F)c2)C1=O 924540151 CDWJFCJKIKHNQP-NSHDSACASA-N 311.382 1.675 10 10 DDCE CCN(CC)c1ccc(CN2CCOC3(CNC3)C2)cc1F 853248351 DMQJILSEKZWQST-UHFFFAOYSA-N 307.413 1.846 10 10 DDCE CN(C)c1cc(F)c(CN[C@H](CO)c2ccnn2C)cc1F 858177201 JSFKHIPPFDPAJR-CYBMUJFWSA-N 310.348 1.588 10 10 DDCE COc1ccc(N2CC[C@@H](N=c3ncnc4[nH][nH]cc3-4)C2)cc1 853759282 QZVIZAOFDWUZGJ-LLVKDONJSA-N 310.361 1.426 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cnc(N)cn3)C2)cc1 851640186 SASJIYZZWRSLMU-LLVKDONJSA-N 313.361 1.076 10 10 DDCE C[C@@H](NCC(C)(C)CS(N)(=O)=O)c1ccc(F)cc1O 866571219 AXXYJHJGQUZFCN-SECBINFHSA-N 304.387 1.497 10 10 DDCE O=C([C@H]1COCCN1C1CCCC1)N1Cc2cccc(O)c2C1 871205116 WWEMENVRKFTLJG-MRXNPFEDSA-N 316.401 1.878 10 10 DDCE CN(C)C(=O)N1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1 871198522 JDSVDKKGRMPJTR-UHFFFAOYSA-N 317.389 1.628 10 10 DDCE O=C1NCC2(CN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)O1 897999709 FEENJSOLFLKCJU-UHFFFAOYSA-N 320.326 1.247 10 10 DDCE O=S1(=O)CC(CCNCc2ccc(N3CCOCC3)cc2)C1 786823685 CFUFKZJCXYOUIB-UHFFFAOYSA-N 324.446 1.048 10 10 DDCE C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCN1CCO 792180867 VNQGRCWYKSSLIZ-SNVBAGLBSA-N 302.777 1.683 10 10 DDCE CN(Cc1cn(C)nn1)c1ccc(CO)cc1Br 689199035 HBYSWXAKEOBZLO-UHFFFAOYSA-N 311.183 1.706 10 10 DDCE O=S(=O)(CCNCc1cccc(F)c1O)N1CCCC1 721882807 PAWDEXFDVFRANC-UHFFFAOYSA-N 302.371 1.047 10 10 DDCE O=C(CC1CS(=O)(=O)C1)NCc1ccc(N2CCCC2)cc1 1329693935 XCJKPBURYDFQIV-UHFFFAOYSA-N 322.430 1.338 10 10 DDCE CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cccc(O)c1O 1627718488 MHHBTFXZSAIQOF-SNVBAGLBSA-N 310.375 1.091 10 10 DDCE CCC(=O)N[C@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1486625360 IAKOXGKTMSPWBB-ZJUUUORDSA-N 319.365 1.882 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCN2CCCC[C@@H]12 1644107738 MKTJKXGEMOPZJW-KBPBESRZSA-N 304.390 1.773 10 10 DDCE C[C@H]1CCn2cc(C(=O)NCc3c(O)cccc3O)nc2C1 1645365707 BYACASRIGLVXNT-JTQLQIEISA-N 301.346 1.807 10 10 DDCE C[C@H](OC[C@@H]1CCCCO1)C(=O)NCc1c(O)cccc1O 1645360837 LNQNIXSZKDWNMJ-RYUDHWBXSA-N 309.362 1.688 10 10 DDCE COc1cc(OC)c2c(c1O)C(=O)c1ccc(O)cc1C2=O 5998821 AZOVYGVUYZKMOP-UHFFFAOYSA-N 300.266 1.890 10 10 DDCE biogenic,in-vitro Nc1ccc(OCC(=O)N[C@H]2CCCCC23OCCO3)cc1 1876419283 DBXYRDYEPMSSBZ-AWEZNQCLSA-N 306.362 1.450 10 10 DDCE C[S@@](=O)C1CN(c2ccc(CO)c(Br)c2)C1 1981171897 FFSBPSYSWMLIIV-MRXNPFEDSA-N 304.209 1.509 10 10 DDCE CC1(NC(=O)OC(C)(C)C)CN(C(=O)c2cccc(O)c2O)C1 1982309649 ISSXXJCVAWNJMY-UHFFFAOYSA-N 322.361 1.837 10 10 DDCE CNC(=O)OCCNCc1cc(Br)ccc1O 1998212650 XVLPAKZWYGXBEH-UHFFFAOYSA-N 303.156 1.600 10 10 DDCE CN[C@@H](C)c1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)c(Cl)c1 321276371 HVUPAGBIYZLARE-ZMLRMANQSA-N 314.838 1.996 10 10 DDCE Oc1cccc(Br)c1CNC1COCCOC1 706868895 VOCIFYXHSAESMR-UHFFFAOYSA-N 302.168 1.660 10 10 DDCE COC(=O)[C@H](C)CS(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 2183615920 IQIBKMJQYXOKBT-SECBINFHSA-N 304.372 1.148 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1Br 2043133711 WUPXFYQXGNHGDP-INTQDDNPSA-N 315.211 1.401 10 10 DDCE CN(C)CC1(NCc2ccc(Br)cc2O)COC1 2056775862 QNVSBOBGNSXXGT-UHFFFAOYSA-N 315.211 1.575 10 10 DDCE Oc1ccc(F)cc1CNCCn1cc(Br)nn1 2072769268 BJMIBJCDGGZZCV-UHFFFAOYSA-N 315.146 1.675 10 10 DDCE O=C(O)[C@H](C1CC1)S(=O)(=O)Nc1ccc(O)cc1Cl 2110736977 PMXHKDGVSJRZIC-JTQLQIEISA-N 305.739 1.651 10 10 DDCE C[C@@H](N)Cc1cnc(Sc2nnnn2CC(F)F)s1 2225654466 STBSQUNJJWFOAH-RXMQYKEDSA-N 306.367 1.436 10 10 DDCE Cc1cc([C@H](C)O)ccc1N1CCSC[C@@H]1S(C)(=O)=O 2240828053 AGERAZZARPWJJE-FZMZJTMJSA-N 315.460 1.972 10 10 DDCE Cn1cccc1C=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O 2296659696 NDLGXFLRQWAXEY-UHFFFAOYSA-N 309.325 1.687 10 10 DDCE Cc1ccc(CNC(=O)[C@H]2C[C@H]2CN)c(O)c1Br 2327583690 ODMAWNAQHNMSEU-UWVGGRQHSA-N 313.195 1.674 10 10 DDCE CO[C@@H]1CN(Cc2ccc(C)c(Br)c2O)C[C@@H]1N 2327621156 KLIWEITZWUQLLF-WDEREUQCSA-N 315.211 1.621 10 10 DDCE Cc1cc(C(=O)N[C@@H](C)Cn2cncn2)c(C)n1-c1ccccn1 68086731 LIDYBNSOYPEXHK-LBPRGKRZSA-N 324.388 1.899 10 10 DDCE CC(/C=C1\NCCS1)=C1/SC(=S)N(CC(=O)O)C1=O 38612167 XVUGKIXCNARGQF-DMDUXHFBSA-N 316.429 1.383 10 10 DDCE CCN1CCN(Cc2cc([N+](=O)[O-])ccc2O)C(C)(C)C1=O 186581956 MZCNPBQVVNXUIA-UHFFFAOYSA-N 307.350 1.743 10 10 DDCE COC[C@H](O)[C@H](N)c1cc(Br)cc(Cl)c1O 95805151 YUYVZSDOCJAYQU-DTWKUNHWSA-N 310.575 1.815 10 10 DDCE COc1cccc(O)c1CN1CC[C@H](N(C)C(=O)N(C)C)C1 827545106 SYCUEVKEVQAKSE-LBPRGKRZSA-N 307.394 1.589 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc([C@@H]2NCCNC2=O)c(O)c1 1952419241 QAUHIHGIKVTCOE-LBPRGKRZSA-N 307.350 1.500 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](N2CCOCC2)C1 588406594 JSNSLHQMUZJOKM-XBPVQUQDSA-N 318.373 1.044 10 10 DDCE Cc1nn(C)c(N2CCC2)c1NC(=O)c1cccc(O)c1O 913247668 YWENBQNUJNQAML-UHFFFAOYSA-N 302.334 1.602 10 10 DDCE O=C(NCCOC[C@H]1CCCO1)NCc1c(O)cccc1F 918979400 HBVQJPAXRQYAQI-LLVKDONJSA-N 312.341 1.526 10 10 DDCE CCc1nc[nH]c1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 912293450 XDHCYSCLPBIPRX-LBPRGKRZSA-N 314.389 1.989 10 10 DDCE Cc1ccc(O)c([C@H](C)NCC[C@H]2CNCCS2(=O)=O)c1 925801449 WYDWXWCVDDKJBA-STQMWFEESA-N 312.435 1.128 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)n3cncn3)C2)cc1 855233520 IBZAZYGYJCDRHG-CHWSQXEVSA-N 315.377 1.243 10 10 DDCE CN1CCCc2cc(CNS(=O)(=O)[C@@H]3CCCNC3)ccc21 923602195 GOURRCZZHATVCY-OAHLLOKOSA-N 323.462 1.240 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3COC[C@@H]3C)C2)cc1 923188959 VITBXRAYHJTKBU-XEZPLFJOSA-N 319.405 1.608 10 10 DDCE C[C@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc2ccccc2c1O 927024434 KIKXSCJDBZRANJ-WCQYABFASA-N 323.414 1.602 10 10 DDCE C[C@@H]1OC(=O)N[C@H]1C(=O)NCc1ccc2cccnc2c1O 862026673 WOFDOTUYCVPFEA-GZMMTYOYSA-N 301.302 1.054 10 10 DDCE CC(C)[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 1117896014 QJOZDKMMTNPYHI-CYBMUJFWSA-N 304.390 1.855 10 10 DDCE CC[C@H](CO)N1CCN(Cc2cc(F)cc(F)c2O)CC1 894064643 YWZKUDHSZQGWRV-CYBMUJFWSA-N 300.349 1.559 10 10 DDCE O=C(c1cccc(O)c1O)N1CC[C@@](CO)(C(F)(F)F)C1 899609656 VYAUIAJZELJLQP-GFCCVEGCSA-N 305.252 1.485 10 10 DDCE COC(=O)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 896774657 TWIWVKAMPQRQEL-ZDUSSCGKSA-N 321.354 1.994 10 10 DDCE CC(C)(C)OC(=O)NC1(C(=O)NCc2c(O)cccc2O)CC1 1156885582 KUSSFSHTUITKKH-UHFFFAOYSA-N 322.361 1.771 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCOC3)C2)cc1 1333591791 OQEDRFYJCJCQMV-KBPBESRZSA-N 319.405 1.610 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CCSC1 1261856714 NCEFGWZBSDZYNG-LBPRGKRZSA-N 322.430 1.610 10 10 DDCE COC(=O)[C@@H](C)CN(C(=O)Cc1ccc(O)c(O)c1)C1CC1 1442988264 ONDKOEWOHMXHMZ-JTQLQIEISA-N 307.346 1.440 10 10 DDCE O=C1C[C@H](c2ccccc2)N(C(=O)Cc2ccc(O)c(O)c2)N1 1558889153 XXWVYCDMUYDUPT-CYBMUJFWSA-N 312.325 1.645 10 10 DDCE CCCNC(=O)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1565644216 KLDUZNRMQADUST-UHFFFAOYSA-N 320.389 1.405 10 10 DDCE CS(=O)(=O)c1ccc(C(=O)NCc2c(O)cccc2F)cn1 1646033653 BKZBKQGVNUGCSR-UHFFFAOYSA-N 324.333 1.260 10 10 DDCE COC(=O)CC1(NC(=O)Cc2ccc(O)c(O)c2)CCCC1 1640002744 UXNFJFPEGOKRFX-UHFFFAOYSA-N 307.346 1.632 10 10 DDCE CN(C)c1ccc([C@@H](CNC(=O)CO)N2CCCCC2)cc1 1865949276 KIWNBDDTDQCGIS-MRXNPFEDSA-N 305.422 1.388 10 10 DDCE CC(C)(C)OC(=O)N1CCN(C[C@@H](N)c2ccccc2O)CC1 1936978535 ZJXIKDVDUXCZTM-CQSZACIVSA-N 321.421 1.945 10 10 DDCE C[C@H](NC[C@@H]1CCS(=O)(=O)N1C)c1cc(F)ccc1O 1967490831 RWWRXFKSJLYBLG-ONGXEEELSA-N 302.371 1.216 10 10 DDCE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1985093614 BWBONOXCZXULCX-LLVKDONJSA-N 324.385 1.059 10 10 DDCE CN(CC(C)(CO)CO)c1ccc(CO)cc1Br 689279629 KZBIXLJUERCQDZ-UHFFFAOYSA-N 318.211 1.369 10 10 DDCE O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1(O)CC1 2064315329 JPRQIXHJJXQGBO-ZDUSSCGKSA-N 324.808 1.651 10 10 DDCE Cc1cnc2c(c1)N(C(=O)c1cnn3c(O)cc(C)nc13)CC2 2064565243 XHUMUWWFEQEHCM-UHFFFAOYSA-N 309.329 1.650 10 10 DDCE O=C1CN(c2ccc(CO)c(Br)c2)[C@@H]2CC[C@H]2N1 2049368930 YOUZWJYMRABQDZ-VXGBXAGGSA-N 311.179 1.409 10 10 DDCE C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1cc(O)ccc1O 2191408616 IBKNXVIGYLGKOG-SNVBAGLBSA-N 301.408 1.962 10 10 DDCE NCc1cc(F)c(N2CC[C@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1Cl 2199531008 HRTHWLPWEUATLZ-BFFTYQLQSA-N 300.761 1.258 10 10 DDCE COc1ccc(Br)c(CN[C@H]2[C@H]3COC[C@H]32)c1O 2220463072 VZBQURUMXCXGOW-BZBKMWRSSA-N 314.179 1.898 10 10 DDCE Nc1cc(NS(=O)(=O)C[C@@H]2C[C@H]2C(F)(F)F)ccc1O 2236141000 HBZCQOKMYSWJGX-POYBYMJQSA-N 310.297 1.915 10 10 DDCE Cc1cc(O)cc(C)c1NS(=O)(=O)N(C)CCC(=O)O 2239630992 FGFNGPNICLDMGV-UHFFFAOYSA-N 302.352 1.072 10 10 DDCE CCC[C@H]1NC(=O)[C@@H](C)N(Cc2cnc(SC)s2)C1=O 2284668354 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CCN1C(=O)[C@@H]2CN(Cc3cc(Cl)ccc3O)CCN2C1=O 378368538 GWOXGRLKUPBEQC-LBPRGKRZSA-N 323.780 1.514 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnc(Br)c(Cl)c1 808548612 HBJAFOUDGHRRJU-UHFFFAOYSA-N 320.526 1.812 10 10 DDCE CCN(c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])[C@@H](C)CO 292789122 MLKVRNSQFKXNRO-JYKYSHPRSA-N 308.334 1.988 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)n1 808534062 FITQRGPUAWQQEP-UHFFFAOYSA-N 304.277 1.635 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 808548443 YIDGYDMGPDJJED-LLVKDONJSA-N 313.350 1.333 10 10 DDCE C[C@@H]1CN(Cc2c(O)cccc2Cl)CCN1S(C)(=O)=O 827271175 LGALRYPRAFTLHH-SNVBAGLBSA-N 318.826 1.511 10 10 DDCE CN(C)c1ccc(CN2C[C@@H]3COCC[C@]3(C(=O)O)C2)cc1 901951803 JJJGHVVOFBEFGI-PBHICJAKSA-N 304.390 1.676 10 10 DDCE CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)c1cc(O)cs1 832524097 KZEBUFIEABXAJC-JTQLQIEISA-N 317.432 1.883 10 10 DDCE COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 836842296 MBAALGBLNXYPAL-PYISVCGKSA-N 319.357 1.959 10 10 DDCE CC(C)(C)OC(=O)[C@]1(C(=O)NCc2ccccc2O)CCCO1 901124914 QYTULYIGLATOIB-QGZVFWFLSA-N 321.373 1.899 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@H]12 1895031238 CKRFTOZEPQDHSR-GKULMRRWSA-N 322.405 1.555 10 10 DDCE CCOCCCNC(=O)[C@@H](C)N1CCCc2cc(CN)ccc21 843349541 CPKYGKFNQRJDNK-CQSZACIVSA-N 319.449 1.829 10 10 DDCE N[C@H]1C[C@H](CC(=O)C(=O)CNC(=O)OCc2ccccc2)C1 1953406168 GFHMRSZWGJLDHZ-JOCQHMNTSA-N 304.346 1.178 10 10 DDCE CS(=O)(=O)C1CCC(CNC(=O)c2cc(O)cs2)CC1 927367755 ZTHLILZOZRNVIE-UHFFFAOYSA-N 317.432 1.787 10 10 DDCE CC(=O)c1cc(F)cc(CN2CC[C@H](Cn3ccnn3)C2)c1O 852314373 GXCUBEMDOVRBRH-LBPRGKRZSA-N 318.352 1.848 10 10 DDCE CCOc1ccc(O)c(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)c1 850368031 HQOCBJJTHIJIGT-AAEUAGOBSA-N 313.419 1.846 10 10 DDCE O=S(=O)(CC1CC1)NCc1ccc(N2CCC(O)CC2)cc1 851844236 UJDVBWHPLUPJKS-UHFFFAOYSA-N 324.446 1.477 10 10 DDCE COCCCOCC(=O)NCc1ccc2cccnc2c1O 862026979 FYVYKFYUJJNXJG-UHFFFAOYSA-N 304.346 1.610 10 10 DDCE CNC(=O)CCCCC(=O)NCc1ccc2cccnc2c1O 862027192 LWASPBMMIMBVQF-UHFFFAOYSA-N 315.373 1.863 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@]3(N)CC3(F)F)C2)cc1 867985056 YREYXLMAZQOJES-QMTHXVAHSA-N 311.332 1.127 10 10 DDCE O=C(NCCC(=O)N1Cc2cccc(O)c2C1)c1ccco1 871197646 CNTGQGWMDNJMTB-UHFFFAOYSA-N 300.314 1.648 10 10 DDCE CC[S@@](=O)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 773299883 WAYVZPYULXBZSJ-XUSGNXJCSA-N 311.451 1.881 10 10 DDCE Cc1cc(Cl)cc(CN2CC[C@H](S(N)(=O)=O)C2)c1O 785986785 XXSXWXPWFASFKE-NSHDSACASA-N 304.799 1.217 10 10 DDCE COc1ncc(S(=O)(=O)N2CCC[C@H]2CN=[N+]=[N-])s1 692822387 JEHYYLCVIOAGRG-ZETCQYMHSA-N 303.369 1.615 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1c1c(F)cc(CN)cc1F 90923178 AGJXSCZGTSFFBS-NSHDSACASA-N 322.402 1.347 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3[C@H]4CCCO[C@H]43)C2)cc1 1337347701 IYZBPDRPIVRUQP-BASLNEPJSA-N 316.401 1.815 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CN1CCCC1=O 1351164315 WGVFQHCLIZCHOH-UHFFFAOYSA-N 315.417 1.868 10 10 DDCE COC(=O)[C@@H]1CCC[C@@H](C(=O)NCc2cc(O)ccc2O)C1 1455356188 HNOKJXBQCDMSPC-GHMZBOCLSA-N 307.346 1.693 10 10 DDCE C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCc3ccc(O)c(O)c3)CN2C1 1465954597 RFMMDFMOFWDCRK-BNOWGMLFSA-N 304.390 1.834 10 10 DDCE CN(C)c1nc(CCNC(=O)Cc2ccc(O)c(O)c2)cs1 1542745287 LPVDACWJTCDWDN-UHFFFAOYSA-N 321.402 1.522 10 10 DDCE CC[C@H](C(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1)N(C)C 1714246667 ISFHAPLFVMFNRB-GOEBONIOSA-N 321.465 1.938 10 10 DDCE Cn1cnnc1[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1567182179 DXZYWIKDACZESQ-NSHDSACASA-N 302.334 1.133 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCN2C[C@@H](F)C[C@H]2C1 1641267292 BSXVOHKZBFCCRR-WINFFXRMSA-N 306.337 1.366 10 10 DDCE O=C(O)[C@H](CO)N1C(=O)/C(=C\c2ccccc2)SC1=S 1858595596 DNJXBHMQHBCOBZ-CMWXKVOJSA-N 309.368 1.333 10 10 DDCE Cn1ncc(C=O)c1S(=O)(=O)Nc1ccc(O)cc1Cl 2144019708 LEQDXOSNFXEQHH-UHFFFAOYSA-N 315.738 1.392 10 10 DDCE C[C@@H](CC(N)=O)N(C)Cc1cc(Br)ccc1O 1946073103 FAZVOEIWMSJRQR-QMMMGPOBSA-N 301.184 1.850 10 10 DDCE O=S1(=O)CCCN1CCNCc1ccc(Cl)cc1O 1964041761 BCGGVLCYFCBAPE-UHFFFAOYSA-N 304.799 1.171 10 10 DDCE CO[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1885557351 NXGUWDAYMMNUCF-IUCAKERBSA-N 301.347 1.341 10 10 DDCE CS(=O)(=O)C1CN(c2ccc(CO)cc2C(F)(F)F)C1 2152280899 IDJQQDISRWURJV-UHFFFAOYSA-N 309.309 1.431 10 10 DDCE O=S(=O)(Nc1ccc(O)c(C(F)(F)F)c1)[C@H]1CCNC1 2152904053 HGWGELKJSMQFAS-QMMMGPOBSA-N 310.297 1.515 10 10 DDCE OC[C@@H](O)C1(NCc2ccc(Br)cc2O)CC1 2015905992 SBQAFRHPTCVXOZ-LLVKDONJSA-N 302.168 1.130 10 10 DDCE NCc1ccc(N2CC[C@@H]3[C@H](CO)[C@@H]3C2)cc1Br 2032183876 FNYMBPGNFXKLSK-XQQFMLRXSA-N 311.223 1.972 10 10 DDCE CNCc1ccc(N2CC(OCCO)C2)cc1Br 2034845436 QZWUYOLMKLKVSX-UHFFFAOYSA-N 315.211 1.366 10 10 DDCE Cc1cc(O)ccc1NS(=O)(=O)N1CCC(CO)CC1 2157762858 BAKLQYUPWJUDBY-UHFFFAOYSA-N 300.380 1.062 10 10 DDCE COc1cc(S(=O)(=O)NCc2ccccc2O)sn1 717672067 LUYLWNXMSBJNFD-UHFFFAOYSA-N 300.361 1.336 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCCN(S(=O)(=O)C[C@@H]2CCC2=O)C1 2178183221 DDDKUXYEXBUPKX-QWRGUYRKSA-N 300.384 1.708 10 10 DDCE OCc1cc(CNCc2cccc(Br)c2O)[nH]n1 2056565419 DEANFNCVQBOORY-UHFFFAOYSA-N 312.167 1.660 10 10 DDCE CC(C)(C)OC(=O)N1CCC[C@](C)(COc2nnc(=N)[nH]n2)C1 2210652715 ZGZNTGAZKZXQBF-AWEZNQCLSA-N 324.385 1.095 10 10 DDCE N=c1nnc(OCc2cc(F)ccc2Br)n[nH]1 2213778415 GWGOZBGBRIAIHH-UHFFFAOYSA-N 300.091 1.160 10 10 DDCE CSc1ncc(Cn2nnnc2SCC(=O)O)s1 2256967976 RNUIMZAVPVILSH-UHFFFAOYSA-N 303.394 1.077 10 10 DDCE CSc1ncc(CNC(=O)NC[C@H]2CC[C@@H]2C(=O)O)s1 2284509922 YCUOVIQNCLJOBY-APPZFPTMSA-N 315.420 1.775 10 10 DDCE O=C1C(=Cc2ccccn2)SC(=S)N1N1CCOCC1 2296883014 JFTKTTVJOOPWDO-UHFFFAOYSA-N 307.400 1.530 10 10 DDCE CC[C@H](O)CCNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2300212334 XRDIKSYMNYJJEO-KRWDZBQOSA-N 318.417 1.814 10 10 DDCE NC(=O)c1ccc(CNC(=O)C=Cc2ccc(O)c(O)c2)cc1 2307987453 GAENCOSGPDTEHB-UHFFFAOYSA-N 312.325 1.526 10 10 DDCE NC(=O)[C@@H]1CCCC[C@H]1NC(=O)C=Cc1ccc(O)c(O)c1 2307989619 GKCLNTKGTJTGSO-VXGBXAGGSA-N 304.346 1.271 10 10 DDCE Cc1ccc(CN2CC[C@H](C(N)=O)C2)c(O)c1Br 2327796898 OKLCNUDOCJAWDX-JTQLQIEISA-N 313.195 1.770 10 10 DDCE CC[C@@H]1COC[C@@]1(NCc1cnc(SC)s1)C(=O)O 2348125615 INMHBHDWBCAFES-PELKAZGASA-N 302.421 1.834 10 10 DDCE COc1ccc(N2CCN(C(=O)NC3CCOCC3)CC2)cc1 6747156 PHTZQNIZNWGGHU-UHFFFAOYSA-N 319.405 1.706 10 10 DDCE Nc1ccc(CN(C2CC2)S(=O)(=O)C[C@H]2CCCO2)cc1 63155141 ADCIGANLLUKJSG-OAHLLOKOSA-N 310.419 1.742 10 10 DDCE CC(C)CC(=O)N1CCN(c2ccc3c(c2)CC(=O)N3C)CC1 62575993 NICVVPRJFIUJSI-UHFFFAOYSA-N 315.417 1.900 10 10 DDCE O=C(O)/C=C/c1cc(F)c(N2CCS(=O)(=O)CC2)c(F)c1 62723243 QYQTYAVYBHFIED-OWOJBTEDSA-N 317.313 1.297 10 10 DDCE COCCN1CCC[C@H]1CNC(=O)N(C)Cc1ccccc1O 111867427 LTNZSGGJUCXFOO-HNNXBMFYSA-N 321.421 1.644 10 10 DDCE C[C@@H](CC1CC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 112727918 ZJHBMOACZSUQGB-VIFPVBQESA-N 312.391 1.682 10 10 DDCE COC(=O)[C@@H](C1CC1)S(=O)(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2358570750 VPJYSZPYKQNTJK-IVZWLZJFSA-N 302.356 1.089 10 10 DDCE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cccc(O)c1O 187133293 COSPROXTHZFGRM-SECBINFHSA-N 303.362 1.809 10 10 DDCE CC(=O)c1c(O)cc(O)c2c1C(=O)c1cc(O)cc(O)c1C2=O 5167509 AIBWRMHGMCJIPR-UHFFFAOYSA-N 314.249 1.487 10 10 DDCE biogenic NCc1ccc(N2CCCC[C@H]2C(N)=O)cc1Br 228150032 DFZKOMDTWOECPB-LBPRGKRZSA-N 312.211 1.752 10 10 DDCE NCc1ccc(N(CC(=O)NCC(F)(F)F)C2CC2)cc1 49309707 ANGHNRWRLZIZDB-UHFFFAOYSA-N 301.312 1.793 10 10 DDCE CN1CCOC[C@@H]1CNCc1cccc(Br)c1O 700195350 VDDLDAGHIUSRJV-NSHDSACASA-N 315.211 1.575 10 10 DDCE COc1cc(O)c(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1OC 362241213 XDTPSZRSLDXGKT-UHTWSYAYSA-N 320.389 1.508 10 10 DDCE CCCS(=O)(=O)NC1CN(c2ccc(CN)cc2Cl)C1 2165629857 BSTREWPPSNOOCR-UHFFFAOYSA-N 317.842 1.317 10 10 DDCE NC(=O)CCNCc1ccc(N2CCN(CC3CC3)CC2)cc1 819200823 WANMADIIPPWFOQ-UHFFFAOYSA-N 316.449 1.184 10 10 DDCE C[C@H](NC[C@@]1(CO)COCCN1C)c1cc(Cl)ccc1O 903283937 YIHCUNRWAORFGY-XHDPSFHLSA-N 314.813 1.389 10 10 DDCE CN(Cc1ccc(N2CCOCC2)c(F)c1)CC1CN(C)C1 827125296 ITHWNUSRYDAEQS-UHFFFAOYSA-N 307.413 1.656 10 10 DDCE CN(C)C[C@]1(O)CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 834564327 JFZGSTIKGOQARA-XTKXOIQPSA-N 320.389 1.026 10 10 DDCE CN(C)c1ccc(CN[C@H]2CCN(C3CCOCC3)C2=O)cc1 747622705 VIXGDBYVKBAISK-KRWDZBQOSA-N 317.433 1.622 10 10 DDCE COC(=O)[C@H]1CCN[C@@H]1c1cc(Br)ccc1O 1952826273 WJLUXXKNUKAFOJ-KWQFWETISA-N 300.152 1.978 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cn(C)cn3)C2)cc1 855233392 GSNKZLKGUDNEIV-GFCCVEGCSA-N 300.362 1.437 10 10 DDCE C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H](C)[C@@H]1O 853834037 MZULRMNXTNVWRA-ZZCKJEPUSA-N 321.333 1.379 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C3=CCOCC3)C2)cc1 855224613 GJRPFDXRTJCZIF-AWEZNQCLSA-N 302.374 1.737 10 10 DDCE CC[C@H](NC[C@]1(OCCO)CCOC1)c1ccc(F)cc1O 850509875 UQLWAIWGPPINBY-GOEBONIOSA-N 313.369 1.740 10 10 DDCE CC[C@@H](CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)OC 852346291 CYHKKAJFFKOCTM-ZFWWWQNUSA-N 321.421 1.998 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C(C)(C)O)C2)cc1 854299751 KXVOVLAHJMBQRX-OLZOCXBDSA-N 321.421 1.733 10 10 DDCE Cc1cn2c(n1)C[C@@H](C(=O)NCc1ccc(O)c(O)c1)CC2 860243584 QVPNMVDLQFFQSI-LBPRGKRZSA-N 301.346 1.482 10 10 DDCE C[C@H](NCC(C)(C)CS(N)(=O)=O)c1cc(F)cc(F)c1O 866572095 LENDXWFHXQMLMK-QMMMGPOBSA-N 322.377 1.636 10 10 DDCE CCOc1ccc(CN2CCC[C@@H]2CS(N)(=O)=O)c(O)c1 769428766 SYFNWBJUTYCDJN-GFCCVEGCSA-N 314.407 1.044 10 10 DDCE CC(C)(C)n1nnnc1COC(=O)/C=C/c1ccc(O)c(O)c1 766210831 ALJBIIQAGJNATK-FNORWQNLSA-N 318.333 1.596 10 10 DDCE O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)NCc1ccccc1O 896015004 GMWFFQBVKIOMPB-UKRRQHHQSA-N 321.373 1.709 10 10 DDCE CCN1CC[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 1135732760 FUHCSNIVMYHGNH-QGZVFWFLSA-N 317.433 1.576 10 10 DDCE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)Cc1ccc(N)cc1 1959370656 HWNAFQPLNNXTGT-LLVKDONJSA-N 307.394 1.841 10 10 DDCE C/C(=C/c1cccnc1)C(=O)N1CCCc2ccc(C(N)=O)nc21 1278522632 BFIKQAOSSQVZBO-BENRWUELSA-N 322.368 1.958 10 10 DDCE O=C(NN1CCCNC1=O)c1cc2cc(O)c(O)cc2s1 1447221442 XSEAEOKFCKYACL-UHFFFAOYSA-N 307.331 1.373 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2cnc3nccn3c2)c1 1445965587 HCPLDPHCQDBAPL-SNVBAGLBSA-N 312.329 1.935 10 10 DDCE CC1(C)COC(=O)[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1297569483 BDWHYINPDUZXIL-JTQLQIEISA-N 304.306 1.530 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCC3(C2)OCCO3)cc1 1292796220 PKNVHCNHJGYQLI-UHFFFAOYSA-N 304.306 1.438 10 10 DDCE CC(C)(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc(=O)o[nH]1 1469342336 LXWYLFYJUSFWKK-GFCCVEGCSA-N 321.333 1.220 10 10 DDCE COc1ccc(CNC[C@@H](C)CNC(=O)c2ncc[nH]2)cc1C 1482098874 IXDMULOJHJWGKB-GFCCVEGCSA-N 316.405 1.882 10 10 DDCE C[C@H](CN(C)CCF)NC(=O)c1ccc(N=NC(N)=O)cc1 1716509012 UYZPBYWDNYJPSK-SNVBAGLBSA-N 309.345 1.869 10 10 DDCE COc1ccc(CNC[C@H](C)N(C)C(=O)c2cc[nH]n2)cc1C 1714550211 UBHWDQLBQGHXPF-ZDUSSCGKSA-N 316.405 1.977 10 10 DDCE CCS(=O)(=O)N(C)CCN[C@@H](C)c1ccc(O)cc1O 1926346243 UZMLPBARXCXULT-JTQLQIEISA-N 302.396 1.030 10 10 DDCE CC(C)(C)N1C[C@H](C(=O)NCc2cc(O)ccc2O)CC1=O 1637122883 QMPDFOZJSUUSMH-LLVKDONJSA-N 306.362 1.361 10 10 DDCE COc1ccc(CNC2(CNC(=O)C(N)=O)CCCC2)cc1C 1698801471 RUSUNSFQUDPEGL-UHFFFAOYSA-N 319.405 1.008 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CCF)C(=O)N1CC(N=[N+]=[N-])C1 1885563655 XUNZGKODFYIJNR-SECBINFHSA-N 301.322 1.760 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](C(=O)O)c1ccc(O)c(O)c1O 1951594303 CSBOEXLQSZJWQL-QMMMGPOBSA-N 313.306 1.496 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NCc2ccccc2O)C1 1986128529 SFGDUKCMYUYGPV-DZGCQCFKSA-N 322.405 1.852 10 10 DDCE C[C@H](N)c1ccc(N2CCC[C@H]2CS(C)(=O)=O)c(F)c1 2151281030 MVMDINKGTHAGEI-JQWIXIFHSA-N 300.399 1.859 10 10 DDCE COc1ccc(CN(C)[C@H](C)CCS(C)(=O)=O)c(O)c1 2160748211 LHIDYHITCKJJPU-LLVKDONJSA-N 301.408 1.656 10 10 DDCE CC1(C)C[C@@H](S(C)(=O)=O)CN1c1ccc(CO)cc1F 2179920144 OLMCNWSFUYLRBN-LLVKDONJSA-N 301.383 1.720 10 10 DDCE O=C(O)c1cc(O)ccc1NS(=O)(=O)[C@@H]1CCC[C@H]1F 2175559183 JUNCGZATFHBVDS-MWLCHTKSSA-N 303.311 1.723 10 10 DDCE C[C@@H](O)c1cc(F)c(N2CC[C@H](S(C)(=O)=O)C2)c(F)c1 2194512053 LLLUJYSSMYXXHY-SCZZXKLOSA-N 305.346 1.641 10 10 DDCE O=C1CN(c2ccc(CO)cc2Br)[C@H]2CC[C@H]2N1 2049367329 OJYWZUADLNESNW-PWSUYJOCSA-N 311.179 1.409 10 10 DDCE NCc1ccc(N2CCO[C@@H]3COC[C@H]32)c(Br)c1 2072515507 XRQVPLRIFSQSEV-CHWSQXEVSA-N 313.195 1.512 10 10 DDCE NCc1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)c(Cl)c1 2088819788 MNNYJIHKWVVNLO-GWCFXTLKSA-N 300.811 1.422 10 10 DDCE Cc1cccc(O)c1CNCc1nn(C)nc1Br 2219781899 BXVQVUAEEWYSBQ-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE COc1ccc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c(CO)c1 2236000611 AYCPBXJVAZZCDR-QWRGUYRKSA-N 301.408 1.445 10 10 DDCE Cc1ccc(CNC(=O)C=C[C@@H](C)N)c(O)c1Br 2327585095 UJFVIYAZURCZFZ-SECBINFHSA-N 313.195 1.983 10 10 DDCE COCC1(NCc2ccc(C)c(Br)c2O)COC1 2327796049 ASFRUGVXDMMCSH-UHFFFAOYSA-N 316.195 1.968 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](C)Cn1cncn1 115676598 BZABYCCWVQCFHD-ZDUSSCGKSA-N 316.409 1.540 10 10 DDCE C[C@H](NCC(F)(F)CO)c1ccc(N2CCOCC2)cc1 184699228 OYZYLBCQGQAODK-LBPRGKRZSA-N 300.349 1.801 10 10 DDCE CN(Nc1nc(C2(C(=O)O)CCCC2)cs1)S(C)(=O)=O 2365341775 PDHWWIOSPAYQHE-UHFFFAOYSA-N 319.408 1.258 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1cc(F)ccc1N 40335366 RNSKSXHJGOPRIL-UHFFFAOYSA-N 310.350 1.934 10 10 DDCE NCc1ccc(N2CC[C@@H](CO)C2)c(F)c1Br 231840599 NQICKXGMSMMGRI-MRVPVSSYSA-N 303.175 1.866 10 10 DDCE Cc1cscc1CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 94877332 AQJNRAYEFYQONE-LBPRGKRZSA-N 306.387 1.654 10 10 DDCE C[C@H](O)CN(Cc1ccc(N2CCOCC2)cc1)[C@H](C)CO 249107624 QVEIPZFKFLHFAJ-CABCVRRESA-N 308.422 1.087 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCn4cncc4C3)cc2N1 377359921 MVFJQVXHLCIMDO-UHFFFAOYSA-N 315.289 1.142 10 10 DDCE O=S1(=O)CC(CCNCc2cc(Cl)c(F)cc2O)C1 816588625 TZCFPXTXRZIESD-UHFFFAOYSA-N 307.774 1.709 10 10 DDCE CC(C)(C)OC(=O)N1CC(Cc2cc(O)nc(O)c2)(C(=O)O)C1 1952537052 WSFCOBJIHDLTKB-UHFFFAOYSA-N 324.333 1.357 10 10 DDCE CN(Cc1ccccc1O)C(=O)CS(=O)(=O)NC(C)(C)C 731808422 XLKLPUPYOWJSAF-UHFFFAOYSA-N 314.407 1.069 10 10 DDCE COC(=O)[C@@H]1CCN[C@@H]1c1cc(Br)ccc1O 1952826272 WJLUXXKNUKAFOJ-KCJUWKMLSA-N 300.152 1.978 10 10 DDCE CC(C)OC[C@@H](O)CNCc1ccc(N2CCC(O)CC2)cc1 853122059 LSMUCMDHRRCCAN-SFHVURJKSA-N 322.449 1.523 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCN)C2)cc1 851662201 CGIUTJVXSJIJDG-OLZOCXBDSA-N 306.410 1.310 10 10 DDCE COC[C@@H](CCN[C@@H](C)c1cc(C(=O)OC)ccc1O)OC 850485446 IFAYZTIRAAYUIV-WCQYABFASA-N 311.378 1.881 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCC3COC3)C2)cc1 858599899 RUJPXUYYXXFVLT-CYBMUJFWSA-N 305.378 1.220 10 10 DDCE CCOC(=O)NCC(=O)NCc1ccc2cccnc2c1O 862029279 UTAGSZSGRXZLOH-UHFFFAOYSA-N 303.318 1.303 10 10 DDCE COC(=O)c1cc(OCN2CCCCC2=O)ccc1N(C)C 865395929 FPEHVCYRLDMZIT-UHFFFAOYSA-N 306.362 1.888 10 10 DDCE C[C@@H]1C[C@@H]1NC(=N)NCc1ccc(N2CCC(CO)CC2)cc1 864454139 HSWFVVKGTVIHKW-DYVFJYSZSA-N 316.449 1.918 10 10 DDCE C[C@@H](NC(=O)NCCCn1ccnn1)c1ccc(N(C)C)cc1 773437804 CKFSARMRXJMTRZ-CYBMUJFWSA-N 316.409 1.795 10 10 DDCE C[C@@H](NC(=O)c1cnc(O)n(C)c1=O)c1ccc(N(C)C)cc1 775407293 RKTDFSUFXHYFHI-SNVBAGLBSA-N 316.361 1.043 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1cnn[nH]1 1135800879 SZCMYSBSQXXKJE-UHFFFAOYSA-N 313.405 1.996 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1ccc(Cn2ccnn2)o1 1137443487 ROYGHLISIFCODK-UHFFFAOYSA-N 314.301 1.261 10 10 DDCE [N-]=[N+]=NC1CN(S(=O)(=O)N2CC(OCc3ccccc3)C2)C1 1959204982 AVFIGJSZFGJXJX-UHFFFAOYSA-N 323.378 1.127 10 10 DDCE CN1CC[C@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1=O 1157543595 WDHZWARLKXPMRX-NSHDSACASA-N 303.322 1.152 10 10 DDCE CCN(C(C)=O)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1281486213 WAOSVUBAKHUJCU-SNVBAGLBSA-N 319.365 1.836 10 10 DDCE COC(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccn1 1450215943 ALOIIWRKALMZBG-OAHLLOKOSA-N 316.313 1.066 10 10 DDCE O=C(NCc1cn2ccccc2n1)c1c(F)ccc(O)c1O 1608503996 YZBZKXFNPYDVCN-UHFFFAOYSA-N 301.277 1.815 10 10 DDCE CN(C)C(=O)C1CCC(C(=O)NCc2c(O)cccc2O)CC1 1472064191 WYDGTKLDXGQYDH-UHFFFAOYSA-N 320.389 1.609 10 10 DDCE COCCNC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1715376292 IKOMINUCTICNSB-LLVKDONJSA-N 321.381 1.546 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)[C@H]2CCN(C)C2)cc1C 1567079274 RNEQIGACCQJKKR-HOCLYGCPSA-N 319.449 1.550 10 10 DDCE NC(=O)CCc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 1648518734 QQSOUMQSEMCGKB-UHFFFAOYSA-N 318.304 1.907 10 10 DDCE Cc1ccc(C(=O)N2CC[C@@H](c3cc(O)n[nH]3)C2)c(O)c1O 1644261108 MUQGTNHWEHZYRP-SECBINFHSA-N 303.318 1.465 10 10 DDCE CC[C@@H](F)C(=O)NC[C@H](O)CNCc1ccc(OC)c(C)c1 1667870494 ILDYBXLTRPATCQ-ZIAGYGMSSA-N 312.385 1.318 10 10 DDCE O=S1(=O)C[C@H]2C[C@@H](CN(Cc3ccc(Cl)cc3O)C2)C1 1972378010 XTGHKBYJMAMIJU-QWRGUYRKSA-N 315.822 1.912 10 10 DDCE CN(C[C@H](N)C(=O)O)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977839579 LJENTGUDPVNIMP-ZDUSSCGKSA-N 323.393 1.559 10 10 DDCE C[C@@H](O)c1ccc(N(C)[C@H]2CS(=O)(=O)C2(C)C)c(F)c1 2153845452 LYXPMPALJCVGBI-RNCFNFMXSA-N 301.383 1.891 10 10 DDCE Oc1cccc(Br)c1CN1CCO[C@H]2CNC[C@@H]21 686534372 GTWKAJMJZJIDQY-AAEUAGOBSA-N 313.195 1.327 10 10 DDCE Cc1cc(N2CC(CS(=O)(=O)C(F)F)C2)ccc1CN 2173186104 VLAXJHVGMVXDLW-UHFFFAOYSA-N 304.362 1.527 10 10 DDCE CN(CC1(S(C)(=O)=O)CCC1)c1ccc(CN)c(F)c1 2167833398 SDSXKMYFWQXAOS-UHFFFAOYSA-N 300.399 1.688 10 10 DDCE COC[C@@H]1CC[C@@H](Sc2nccs2)C[C@@]1(N)C(=O)OC 2183649981 HPYKDVGQULBNQW-CWSCBRNRSA-N 316.448 1.921 10 10 DDCE C[C@H](N)c1cc(F)c(N(C)[C@H](C)CS(C)(=O)=O)c(F)c1 2194695201 RVTZEOHHHDJSCG-BDAKNGLRSA-N 306.378 1.854 10 10 DDCE NC(=O)[C@@H]1CCN1c1ccc(CNC2CC2)c(Br)c1 2089363983 YIWXLXRKPOBDDS-ZDUSSCGKSA-N 324.222 1.765 10 10 DDCE CN(C(=O)Cc1ccc(N)cc1)C1CCC2(CC1)OCCO2 2089601416 NSHTXESNKOUAKQ-UHFFFAOYSA-N 304.390 1.955 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CNC1CN(C2COC2)C1 2114715068 DRPWJTAEVAPONL-UHFFFAOYSA-N 303.189 1.872 10 10 DDCE Cc1ccc(O)c(CNCc2nn(C)nc2Br)c1 2208600049 LBLUNQISGSUEIG-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CC[C@H](C(=O)O)N2C)s1 2284493819 FYIWDDTYNNFRGQ-RKDXNWHRSA-N 315.420 1.029 10 10 DDCE CNCc1ccc(N2CC(O)(C(F)(F)CO)C2)cc1Cl 2288532878 OLFINMKMJQHCHB-UHFFFAOYSA-N 306.740 1.238 10 10 DDCE Cc1ccc(CNC[C@](C)(O)CCO)c(O)c1Br 2327611396 CFMIKQLICSXZAQ-CYBMUJFWSA-N 318.211 1.686 10 10 DDCE COc1ccc(N2CCN(C(=O)Cc3cocn3)CC2)cc1 74686728 LJPRQTUAAJPKBQ-UHFFFAOYSA-N 301.346 1.575 10 10 DDCE CN(CCNS(=O)(=O)Cc1ccc(N)cc1)C1CCCC1 71376748 VMHDGLMDKKMJEW-UHFFFAOYSA-N 311.451 1.563 10 10 DDCE COC(=O)c1coc(S(=O)(=O)NCCc2ccc(N)cc2)c1 193337932 LIYACCVMEPOBIM-UHFFFAOYSA-N 324.358 1.169 10 10 DDCE CN1C(=O)C(=Cc2nccn2-c2ccccc2)C(=O)N(C)C1=O 191206322 HUEXCXALWCQJGC-UHFFFAOYSA-N 310.313 1.306 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1[C@@H]2CCCO[C@H]21 355631125 FVZVYQFVOPUNHY-APHBMKBZSA-N 302.374 1.903 10 10 DDCE COc1cc(N(C)Cc2noc(C)n2)c([N+](=O)[O-])cc1OC 272463534 HLHGSEYVAMBEJB-UHFFFAOYSA-N 308.294 1.940 10 10 DDCE NC(=O)c1cc(Br)cc(CN2CCOCC2)c1O 642880501 VQHYCCGXZILIMF-UHFFFAOYSA-N 315.167 1.086 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(-n2nc(C)cc2C)nc1 808503696 SWZXIDFQBRVQDV-UHFFFAOYSA-N 301.302 1.199 10 10 DDCE OCC1(CO)CCN(Cc2cc(Br)ccc2O)C1 827474911 OMTFHKHUIUVEGM-UHFFFAOYSA-N 316.195 1.331 10 10 DDCE COC[C@@]1(C(=O)OC)CCCN1Cc1cc(OC)ccc1O 827489397 PVYFWAXPIXAFEO-MRXNPFEDSA-N 309.362 1.555 10 10 DDCE CN(C)c1ccc([C@@H](N)CNC(=O)CCOCC2CC2)cc1 832267493 UAQBSJBVRHGFAC-INIZCTEOSA-N 305.422 1.685 10 10 DDCE CC(C)(C)OC(=O)N[C@@]1(c2cc(O)ccc2O)C[C@@H]1C(=O)O 1952772528 MQAXUECGNOGMHR-MEBBXXQBSA-N 309.318 1.922 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](CCC(=O)O)O1 911231736 XVHDUZIUVBWRFW-OCCSQVGLSA-N 307.346 1.763 10 10 DDCE Fc1cc(CN[C@@H]2CN3CCC[C@H]2C3)ccc1N1CCOCC1 924713774 GEXASLUPJPGTJN-DOTOQJQBSA-N 319.424 1.846 10 10 DDCE Cc1ccc(O)c([C@@H](C)NCC[C@H]2CNCCS2(=O)=O)c1 925801446 WYDWXWCVDDKJBA-OLZOCXBDSA-N 312.435 1.128 10 10 DDCE COC(=O)[C@@]1(OC)CCN(Cc2c(O)ccc(Cl)c2F)C1 862475300 GOHHGRNNVXKFAY-CQSZACIVSA-N 317.744 1.949 10 10 DDCE COc1ccc2c(c1)NC1(CCNCC1)CN2CCC(=O)O 76931217 YALBVAGSZFLHPR-UHFFFAOYSA-N 305.378 1.524 10 10 DDCE CN(Cc1ccc(C(N)=O)cc1)C(=O)Cc1ccc(O)c(O)c1 1135769837 NJNCUBHXRAOLEB-UHFFFAOYSA-N 314.341 1.398 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CCC[C@H](F)C2)cc1 689388798 QKPDZRSZTHGLQR-NSHDSACASA-N 302.371 1.411 10 10 DDCE CC(C)n1[nH]cnc1=NC(=O)c1ccc(N=NC(N)=O)cc1 1183682794 KMFPPNOZICQRSF-UHFFFAOYSA-N 301.310 1.696 10 10 DDCE Cc1cc(NS(=O)(=O)N2CCC[C@H](O)C2)c(C)cc1O 1914131620 GCXMOMKWMGJUON-NSHDSACASA-N 300.380 1.122 10 10 DDCE COC(=O)C[C@H](NCc1ccc(N2CCOCC2)cc1)C1CC1 1354603049 YNIXZQBZEUEPAM-KRWDZBQOSA-N 318.417 1.955 10 10 DDCE CNC(=O)N[C@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 1612234270 MTIAQVJPBHUOLD-VIFPVBQESA-N 324.337 1.120 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1 1622157638 YVFKOUNCVCPTBL-LLVKDONJSA-N 317.305 1.126 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H](O)C23CCC3)cc1 1557499665 DCXIZCVLPFCWFH-NEPJUHHUSA-N 302.334 1.882 10 10 DDCE CC(=O)Nc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cn1 1568286441 HADHIOIKFSAYLW-UHFFFAOYSA-N 315.329 1.310 10 10 DDCE COc1ccc(CC(=O)NCc2c(O)cccc2O)cc1OC 1635843257 JUKNOVPMCBBLOF-UHFFFAOYSA-N 317.341 1.974 10 10 DDCE C[C@@H](C(=O)N1Cc2cccc(O)c2C1)n1cnc2c(N)ncnc21 1643169070 NXDUYQQRHQIIIJ-VIFPVBQESA-N 324.344 1.218 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCOC[C@@H]2CCOC2)cc1 1585066714 SWUKUDYDIRSWIM-LLVKDONJSA-N 320.349 1.632 10 10 DDCE CN1CCC[C@H]1c1cc(C(=O)NCc2cccc(O)c2O)n[nH]1 1593744027 GBPWJYKVNHWFNV-ZDUSSCGKSA-N 316.361 1.518 10 10 DDCE Cc1ccc(O)c(CNCC(=O)N2CCCC[C@@H]2CCO)c1 1857867800 CEIVCEHCSWAVKK-OAHLLOKOSA-N 306.406 1.554 10 10 DDCE 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293435756 AADOLBICFKENPZ-SNVBAGLBSA-N 302.777 1.995 10 10 DDCE CNS(=O)(=O)[C@@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 835028426 ITYATPZILYHMLY-YIEVGGLXSA-N 323.462 1.389 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CC[C@H](O)C2(C)C)cc1 839603649 CJTGKNLHJKLMLF-HNNXBMFYSA-N 305.422 1.214 10 10 DDCE COc1cccc(CNC(=O)NCCc2cc(C)n(C)n2)c1O 926374494 BAYHVMMAZNFBNJ-UHFFFAOYSA-N 318.377 1.485 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)[C@@H](N)COC(C)C)cc1 851642117 SPRJXVHGRAFSHC-INIZCTEOSA-N 323.437 1.342 10 10 DDCE CC[C@@H](NC[C@@]1(OCCO)CCOC1)c1ccc(F)cc1O 850509877 UQLWAIWGPPINBY-ZBFHGGJFSA-N 313.369 1.740 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](CO)C3CC3)C2)cc1 852455221 SOOAURKONSGSDS-XJKSGUPXSA-N 319.405 1.344 10 10 DDCE CCO[C@H]1COCC[C@@H]1CC(=O)NCCc1ccc(O)c(O)c1 866757082 IXIKPEOJAZOKJJ-CJNGLKHVSA-N 323.389 1.588 10 10 DDCE C[C@H](NC(=O)NCC(C)(C)N1CCOCC1)c1ccccc1O 867955456 BJBCUUOEMGVKTE-ZDUSSCGKSA-N 321.421 1.863 10 10 DDCE CCN1CCO[C@H](C(=O)NCc2ccc3cccnc3c2O)C1 862027908 JLGWGNTZKDRHJB-AWEZNQCLSA-N 315.373 1.277 10 10 DDCE CON(C)C(=O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 775260894 RCQBKOSOKAHHJA-CYBMUJFWSA-N 307.394 1.194 10 10 DDCE COc1ccc(N(CC(=O)O)C[C@@H](C)C(=O)O)cc1Cl 71716793 UHCYGTXSHOVECA-MRVPVSSYSA-N 301.726 1.960 10 10 DDCE CCOc1cccc(CN2C[C@H](N(C)C)C[C@H]2C(=O)O)c1O 65425602 AJMAEERLCAOYME-OLZOCXBDSA-N 308.378 1.380 10 10 DDCE C[C@@H](NCc1cn(C)nn1)c1ccc(N2CCOCC2)c(F)c1 783531950 GNJGXZDWLHQXCY-GFCCVEGCSA-N 319.384 1.642 10 10 DDCE C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 897664829 XINDPRKWDXIJAY-UHLUBPPHSA-N 320.370 1.567 10 10 DDCE COC(=O)[C@@H](CC1CCOCC1)NCc1cccc(OC)c1O 895590335 ILJPRJWLJWFQHJ-CQSZACIVSA-N 323.389 1.849 10 10 DDCE C[C@@H](NCc1cc(Cl)cc(Br)c1O)C(N)=O 708168401 BPSSXWAYDPXUNP-RXMQYKEDSA-N 307.575 1.772 10 10 DDCE COc1ccc(CNC(=O)NCC[C@@H](C)[S@](C)=O)c(O)c1 793007616 DXYNLBJAOFMANQ-UZJPJQLHSA-N 314.407 1.357 10 10 DDCE C[C@]1(CNS(=O)(=O)Cc2ccc(N)cc2)CCCS1 133886113 USIDNAPTSPYVJW-CYBMUJFWSA-N 300.449 1.974 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])c1 1307106010 MAIMJWWDNVKJMW-DMBZQDCGSA-N 320.345 1.988 10 10 DDCE C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CC(=O)N1C 1327067630 LDNUGHNRXRJKIX-HNNXBMFYSA-N 316.449 1.101 10 10 DDCE O=C(O)[C@]1(CNCc2cc(F)cc(F)c2O)CCCOC1 1339240311 JDLIQTUBUSOJGD-AWEZNQCLSA-N 301.289 1.641 10 10 DDCE CNc1cnc(C(=O)NCc2ccc(N(C)C)c(F)c2)cn1 1331555132 VXLSIGVFDHVHIL-UHFFFAOYSA-N 303.341 1.653 10 10 DDCE CCN(CC)CCSCC(=O)NCc1cccc(O)c1O 1349076912 AHJKEXHSSWHWHB-UHFFFAOYSA-N 312.435 1.789 10 10 DDCE CCC(=O)N[C@H](CC)CNC(=O)c1ccc(N=NC(N)=O)cc1 1297430474 WXFCTRTUHKNWJS-LLVKDONJSA-N 319.365 1.884 10 10 DDCE CC(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1464564722 MNZDBDJGOZWUSJ-ZDUSSCGKSA-N 306.362 1.015 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@]1(O)CCc2ccccc21 1623635010 HYRVPRQLNWVJPB-SFHVURJKSA-N 313.353 1.591 10 10 DDCE NC(=O)c1ncccc1C(=O)NCc1ccc2cccnc2c1O 1557121783 AYDTVHPMTHPSGG-UHFFFAOYSA-N 322.324 1.364 10 10 DDCE O=C1CCCN1C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1645885248 PIXVFUHQYCAIQP-ZDUSSCGKSA-N 318.373 1.111 10 10 DDCE C[C@@H](NC(=O)NCc1nc2ncccn2n1)c1ccccc1O 1673737617 FBJDNDPIMWLBNY-SNVBAGLBSA-N 312.333 1.390 10 10 DDCE COc1ccc(Br)c(CN=c2ncn(C)[nH]2)c1O 1964637338 SQSZMUQARIGWPZ-UHFFFAOYSA-N 313.155 1.326 10 10 DDCE CN(C[C@H]1CCCS1)S(=O)(=O)Cc1ccc(N)cc1 718396082 UOMAFKYAYBIPDP-CYBMUJFWSA-N 300.449 1.926 10 10 DDCE O=c1nc(CCNCc2cc(Br)ccc2O)[nH]o1 392253203 XWVIAUZPDSOCOX-UHFFFAOYSA-N 314.139 1.163 10 10 DDCE CCOC(=O)CCCS(=O)(=O)Nc1ccc(O)c(C)c1 2178768496 YTABDNPIXUCUQT-UHFFFAOYSA-N 301.364 1.786 10 10 DDCE CN1C[C@@H]2C[C@H](C1)N2c1ccc(CN)c(Br)c1F 2067425420 OZVXOZAQKOMDQJ-AOOOYVTPSA-N 314.202 1.940 10 10 DDCE O=C1C(=Cc2nc3ccccc3[nH]2)SC(=S)N1CCO 2294874591 JWTCLYQFWSNUFG-UHFFFAOYSA-N 305.384 1.756 10 10 DDCE CCS(=O)(=O)N(C)NCc1c(O)cccc1Br 2301550723 GIUVSKDKVGMFGA-UHFFFAOYSA-N 323.212 1.441 10 10 DDCE Cc1cc(NS(=O)(=O)c2cccc(C(N)=O)c2)ccc1O 182476143 AKIVPIRTCOYHOV-UHFFFAOYSA-N 306.343 1.600 10 10 DDCE CN(CC(=O)NCc1ccc(N(C)C)cc1)CC1CC(O)C1 190169127 SNYOGVNUZNNNHH-UHFFFAOYSA-N 305.422 1.072 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@H](S(=O)(=O)C(F)F)C2)cc1 2368803084 KFVPQBYDTCAYCC-SKDRFNHKSA-N 305.346 1.956 10 10 DDCE NCc1cc(F)c(N2CCOC[C@H]2CO)cc1Br 380587381 CFAJSGVTHKNAKY-SECBINFHSA-N 319.174 1.244 10 10 DDCE NCc1cc(F)c(N2CCOC[C@@H]2CO)cc1Br 380587388 CFAJSGVTHKNAKY-VIFPVBQESA-N 319.174 1.244 10 10 DDCE CC(C)(C)OC(=O)N[C@@](C)(Cc1cc(O)nc(O)c1)C(=O)O 1952373172 NDEFNGQZZRNPAI-AWEZNQCLSA-N 312.322 1.403 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H]1Cc1ccc(O)c(O)c1 1952306502 NDMAYWLBOUAUGW-VXGBXAGGSA-N 308.378 1.977 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](N)[C@H]1c1c(O)cc(O)cc1O 1952306212 JGONEHRGJFDKDO-ZANVPECISA-N 310.350 1.813 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2[C@H]3CC[C@H]2CC(O)C3)c1O 278304831 WDIQRWXLJJPWFX-QWRGUYRKSA-N 308.334 1.797 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(OCc2cccnc2)cc1 808501278 LEADMWZCBCBPQJ-UHFFFAOYSA-N 313.309 1.976 10 10 DDCE COc1ccc(O)c(CN2CC[C@H](CN3CCOC3=O)C2)c1 824454250 ACNBXDICWNJEDJ-LBPRGKRZSA-N 306.362 1.675 10 10 DDCE COC[C@H]1C(=O)N[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2O)N1C 840829638 WJCLMOILMVRNMM-GXSJLCMTSA-N 315.713 1.029 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@H]1CCN2CCC[C@H]2C1 914150649 PZKBSFUTNZAUPA-RYUDHWBXSA-N 307.369 1.957 10 10 DDCE O=C(CCCn1ccccc1=O)NCc1c(O)cccc1F 928706101 QETHJCSQVBMJCQ-UHFFFAOYSA-N 304.321 1.790 10 10 DDCE O=C(NCc1ccc(N2CCCC2)cc1)NCC12CC(CN1)C2 851654587 FNNWTJJLKMLHCQ-UHFFFAOYSA-N 314.433 1.838 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@H](O)c2ccnn2C)cc1 922971470 ZBKBXBYJWKALNQ-CHYADLBTSA-N 300.406 1.823 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@@H]2C2CC2)c1 857521171 ASHJNSSSUBUYNC-GFCCVEGCSA-N 310.375 1.388 10 10 DDCE NC(=O)C[C@H]1CN(Cc2c(O)ccc3ccncc23)CCO1 863326424 NSXNLRLDZDAPKO-LBPRGKRZSA-N 301.346 1.017 10 10 DDCE O=C([C@H]1COCCN1CC(F)F)N1Cc2cccc(O)c2C1 871205035 UCEIMUWEJLKAJP-GFCCVEGCSA-N 312.316 1.200 10 10 DDCE CN(C)S(=O)(=O)c1ccc(N2Cc3cccc(O)c3C2)nc1 1118930360 JDMIIQWIKZPOMR-UHFFFAOYSA-N 319.386 1.558 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NCc1cn(C)nn1 783296115 FQPUGSOZIIJPQH-UHFFFAOYSA-N 303.366 1.643 10 10 DDCE CC(=O)NCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 898087223 YMQUJUCANMFFAF-UHFFFAOYSA-N 308.359 1.521 10 10 DDCE COC(=O)c1nc(C(=O)NCc2ccc(OC)cc2O)cs1 1139032084 HXSXBGWCJTVFSV-UHFFFAOYSA-N 322.342 1.574 10 10 DDCE CC1(NCc2ccc(O)c(O)c2O)CN(C(=O)OC(C)(C)C)C1 398004804 AKVMPRXDVUBZDH-UHFFFAOYSA-N 324.377 1.902 10 10 DDCE C[C@H](NCCCN(C)S(C)(=O)=O)c1ccc(O)cc1O 692479284 GTWXAVAQIZAXJS-JTQLQIEISA-N 302.396 1.030 10 10 DDCE CCN(CC)c1ccc(CN(C)[C@H]2CCC(=O)NC2=O)cc1 799106297 BHRPOTOCTZRDAN-HNNXBMFYSA-N 303.406 1.770 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(CO)cc(CO)c1 1168671831 HAKOPDSDAXXTRG-DUXPYHPUSA-N 315.325 1.734 10 10 DDCE COc1ccc(N2CCN(C(=O)c3n[nH]cc3F)CC2)cc1 1445728741 DKMOCFKYHCYDQZ-UHFFFAOYSA-N 304.325 1.520 10 10 DDCE CC(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)nc1C 1545837342 YHQZUURKGAHWNG-UHFFFAOYSA-N 314.341 1.863 10 10 DDCE C[C@H]1CCN(CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1618608612 PYMMGJHNHNVCCU-NSHDSACASA-N 303.366 1.921 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](CO)CC1CCCC1 1626330855 TXEOCBZOLGXAOV-CQSZACIVSA-N 307.390 1.945 10 10 DDCE COc1ccc(CN[C@H]2C[C@@H](NC(=O)[C@@H](C)OC)C2)cc1C 1491002146 DOGCPQBYNIXVNL-YUELXQCFSA-N 306.406 1.775 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCCn1cncn1 1636058851 UEMPHBHMFUBLDB-UHFFFAOYSA-N 309.366 1.566 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCCC(=O)OC 1568737816 OKFITRYVRLQNBM-UHFFFAOYSA-N 300.351 1.837 10 10 DDCE O=C(NCc1nc(-c2ccccn2)n[nH]1)c1cccc(O)c1O 1569080577 ZPBNSXIJHBUTSX-UHFFFAOYSA-N 311.301 1.208 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC/C=C\Cl)c1 1653351523 MWHDZTXFXKYPOO-DJWKRKHSSA-N 304.755 1.246 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nn1cc(Br)cn1 1597103744 XMWHGPYWKLPIPG-UHFFFAOYSA-N 312.123 1.370 10 10 DDCE C[C@H]1SC(=S)N(CCC(=O)Nc2nccs2)C1=O 11635963 YLMMJQLKOVJJLL-ZCFIWIBFSA-N 301.418 1.721 10 10 DDCE COc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)c(C(=O)O)c1 1865876393 IJDBRFILCPUVIG-UHFFFAOYSA-N 319.269 1.763 10 10 DDCE Cn1cc(NC(=O)c2cccc(O)c2O)c(Br)n1 1176716097 DVOMTJJLCWTQGR-UHFFFAOYSA-N 312.123 1.846 10 10 DDCE CC(C)(CNCc1ccc(Cl)cc1O)NS(C)(=O)=O 1964038982 KWPJCYSNXJRQQP-UHFFFAOYSA-N 306.815 1.463 10 10 DDCE C[C@@H]1C[C@H](CNCc2cccc(F)c2O)CCS1(=O)=O 1966092018 ZEIGGFDCGKEOQF-GHMZBOCLSA-N 301.383 1.834 10 10 DDCE O=S1(=O)C[C@H]2CCN(Cc3cc(F)cc(F)c3O)[C@H]2C1 2151232063 DUMAJIUHWMVOFL-PELKAZGASA-N 303.330 1.289 10 10 DDCE CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1cccc(F)c1O 2152915912 KITTYPWTDFNNRP-OLZOCXBDSA-N 301.383 1.977 10 10 DDCE C[S@](=O)C[C@@H](NCc1ccc(O)c(O)c1O)C(C)(C)C 2158657095 MJBFKSQDAULCIW-GIPWTMENSA-N 301.408 1.686 10 10 DDCE NCc1cc(F)c(N2CC[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 2177386077 VPXTVNKXRWBURB-ISVAXAHUSA-N 318.801 1.561 10 10 DDCE NCc1ccc(N2CC[C@@H](O)[C@@H](CO)C2)cc1Br 396847390 CWJJGKOHANNOSH-ZWNOBZJWSA-N 315.211 1.087 10 10 DDCE CS(=O)(=O)c1cnn(Cc2c(O)cccc2Cl)c1N 2070220410 TYUYPYTWFFYTEA-UHFFFAOYSA-N 301.755 1.276 10 10 DDCE CCCN(CCS(C)(=O)=O)c1ccc([C@@H](C)N)c(O)c1 2170177709 MKVPTMAMFAUXMF-LLVKDONJSA-N 300.424 1.673 10 10 DDCE C[C@@H](N)c1cc(F)c(N2CC[C@@H](S(C)(=O)=O)C2)c(F)c1 2194692840 WPZZRGPHGNCVKX-PSASIEDQSA-N 304.362 1.608 10 10 DDCE Oc1c(Br)cccc1CNCC[C@@H]1COC[C@H]1O 2048704058 CKWMIIXSAZMKNQ-ZYHUDNBSSA-N 316.195 1.642 10 10 DDCE C[C@H](Cn1cnnc1)NCc1cc(Br)ccc1O 2066623669 VIOLIKQWDPDWHA-SECBINFHSA-N 311.183 1.925 10 10 DDCE COCCN(C)C1CN(c2cc(Cl)c(CN)cc2F)C1 2192546905 BDOLKSYPLVDAPL-UHFFFAOYSA-N 301.793 1.705 10 10 DDCE Cn1nc(Br)c(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])n1 2219805616 KCXMUCNKKLQCLO-ZCFIWIBFSA-N 314.147 1.493 10 10 DDCE O=C1CCC2(CN(c3ccc(CO)c(Br)c3)C2)N1 2222143071 CAQALWLQGWXDSB-UHFFFAOYSA-N 311.179 1.410 10 10 DDCE COC(=O)N[C@H](C)CNCc1c(O)cccc1Br 2261476406 JOXMHSQVZAQBPD-MRVPVSSYSA-N 317.183 1.989 10 10 DDCE CSc1ncc(CNC(=O)NCC[C@@H](F)C(=O)O)s1 2269103038 ZDASAYDSYKZBDV-SSDOTTSWSA-N 307.372 1.477 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@@H]2CCCC[C@H]2O)s1 2269123651 KTSIXEGTWOQDEJ-NXEZZACHSA-N 322.477 1.588 10 10 DDCE CO[C@H]1CNCC[C@H]1C(=O)NCc1cnc(SC)s1 2269202282 RLKPECZYPOYSFE-ZJUUUORDSA-N 301.437 1.106 10 10 DDCE COC[C@](C)(O)CNCc1ccc(C)c(Br)c1O 2327632619 ZJMMHZUMPNJYDX-CYBMUJFWSA-N 318.211 1.950 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCN(C)[C@H]2C)s1 2350654714 FTVFPUZBGHWELU-QPUJVOFHSA-N 301.437 1.502 10 10 DDCE COc1cccc(CNC(=O)Cn2nnc3ccccc32)c1O 171487396 XNZFXPDPYYRUAI-UHFFFAOYSA-N 312.329 1.462 10 10 DDCE C=CC(=O)NCCC(=O)NCc1ccc(N2CCCC2)cc1 178469301 HXNLMLUOWZNTTK-UHFFFAOYSA-N 301.390 1.595 10 10 DDCE Cc1cc(Cl)cc(CN(C)CC(=O)N2CCOCC2)c1O 179587168 GYFHQPAEBCRFPT-UHFFFAOYSA-N 312.797 1.645 10 10 DDCE COc1cccc(CNS(=O)(=O)[C@H](C)C(F)(F)F)c1O 184546176 ZYKMIZLLVRNFQJ-SSDOTTSWSA-N 313.297 1.771 10 10 DDCE CN(CC(N)=O)c1ccc(/C=C\C(=O)O)c(Br)c1 310606524 ORBRRWINZMFOEY-HYXAFXHYSA-N 313.151 1.468 10 10 DDCE Cc1ccc(OCC(=O)NCCN2C(=O)CSC2=S)cc1 49755962 ASUCFLHGIIOXIW-UHFFFAOYSA-N 324.427 1.350 10 10 DDCE COc1cc(Cl)c(N2C[C@@H](OC)C[C@H]2CO)c(OC)c1 2368109809 CMJDNSSZZYOWTP-ONGXEEELSA-N 301.770 1.943 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCN1CCOCC1 96785276 TXBFEKRAHJVSCD-ZDUSSCGKSA-N 322.405 1.115 10 10 DDCE CC(=O)N(C(=O)N(C)C1CCN(C)CC1)c1ccc(N)cc1 243817219 QTDKKWXNTUMJOG-UHFFFAOYSA-N 304.394 1.768 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 808523106 JHTHLACPDJDUII-OAHLLOKOSA-N 321.348 1.882 10 10 DDCE CN1CCN(c2ccc(CN3C[C@H]4CC[C@H]3CN4)cc2)CC1 817865463 UKPPVKNUFGMSBZ-AEFFLSMTSA-N 300.450 1.375 10 10 DDCE CSc1nccnc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 907274956 SLKHOBMIFJKLLT-SECBINFHSA-N 319.386 1.971 10 10 DDCE Nc1ccc(CC(=O)N2CCCC[C@@H]2[C@H]2C[C@@H](N)CCO2)cc1 846700668 WDHVAIFDSRHQJI-GVDBMIGSSA-N 317.433 1.699 10 10 DDCE COc1cccc(O)c1CN1CCOC2(CCN(C)CC2)C1 843431387 FFTCPNKFZJJLTH-UHFFFAOYSA-N 306.406 1.697 10 10 DDCE C[C@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1c(O)cccc1F 921435034 TXAZPDPNDNGANA-IINYFYTJSA-N 307.369 1.813 10 10 DDCE C[C@H]1CCC[C@H](CNC(=O)C(=O)NCCc2ccc(N)cc2)O1 851688216 SYXXRBVXDXIQEZ-SWLSCSKDSA-N 319.405 1.001 10 10 DDCE C[C@H](NC[C@@H]1CC2(CCNCC2)C(=O)O1)c1ccc(F)cc1O 925857984 RFFLFOWYLVTLPX-AAEUAGOBSA-N 322.380 1.867 10 10 DDCE COc1ccc(N2CCN(C[C@@]3(O)CCCOC3)CC2)cc1F 851806831 AJOFLRDNGGIQIJ-KRWDZBQOSA-N 324.396 1.498 10 10 DDCE CO[C@H](C)CNC(=O)NCc1cc(Br)ccc1O 852535568 GAIBHZSCLVQYKU-MRVPVSSYSA-N 317.183 1.989 10 10 DDCE CO[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)[C@H]1CCOC1 868759860 OZOBAAVQVCWABS-HUBLWGQQSA-N 308.378 1.804 10 10 DDCE CN[C@@H](C)c1ccc(N(C)C(CO)CO)c(Br)c1 386420238 ZHUVYTWGOMZPRA-VIFPVBQESA-N 317.227 1.519 10 10 DDCE Cn1cc(C(C)(C)C(=O)OCC(=O)c2ccc(O)c(O)c2)cn1 784673274 BZRURTJBFOGKGW-UHFFFAOYSA-N 318.329 1.535 10 10 DDCE NC(=O)N1CC(NCc2cccc(Br)c2O)C1 1917775061 TWJNKTZFCLSKSE-UHFFFAOYSA-N 300.156 1.007 10 10 DDCE CO[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H](C)C1 1329494087 LDBMJDOSGSVDCD-WCQYABFASA-N 318.373 1.260 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCC1(C)C[C@@H]2C[C@H]2C1 1329813872 ITJBLGLFFBKLCQ-KBPBESRZSA-N 316.401 1.903 10 10 DDCE CCN(Cc1ccoc1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1335563966 SHTVKUWHFGZXDF-UHFFFAOYSA-N 314.341 1.876 10 10 DDCE CN(C)[C@H]1COC[C@@H]1NCc1ccc(Br)cc1O 1921753182 JUDOXQREXOTNJZ-RYUDHWBXSA-N 315.211 1.573 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)cnc1O 1624955295 WTYGTTLWVXVOHY-MRVPVSSYSA-N 306.293 1.699 10 10 DDCE CSC[C@@H](CCO)NC(=O)c1ccc(N=NC(N)=O)cc1 1622914462 VQBRISXWVVLVFR-LLVKDONJSA-N 310.379 1.693 10 10 DDCE CNCc1ccc(N2CCNC(=O)[C@H]2C)c(C(F)(F)F)c1 163715215 AZQCLHCOEAEEPL-SECBINFHSA-N 301.312 1.750 10 10 DDCE CC(C)(C)OC(=O)NCCSCC(=O)NCCN=[N+]=[N-] 1963816590 HYXXXZFPINBZSB-UHFFFAOYSA-N 303.388 1.671 10 10 DDCE Oc1cc(Br)ccc1CN[C@@H]1C[C@H](O)C[C@H]1O 2000830540 QYWFIQQKEADMPL-HOSYDEDBSA-N 302.168 1.129 10 10 DDCE OC[C@@H](O)[C@H](C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1 2054618184 UWWISKPOVFKUES-RHSMWYFYSA-N 302.326 1.954 10 10 DDCE NC(=O)N1CC[C@H](NCc2cc(Br)ccc2O)C1 393251225 FKESGDBJXPSRNT-JTQLQIEISA-N 314.183 1.397 10 10 DDCE CC[C@H]1CN(CC)CCN1C(=O)c1cnn2c(O)cc(C)nc12 2062334903 RZMBJCHDPLSSMR-LBPRGKRZSA-N 317.393 1.300 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H]4OCCC[C@H]4C3)c2n1 2062546842 SFAHEGWBFFLXMY-WCQYABFASA-N 316.361 1.384 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H](CCO)C(C)(C)C)c2n1 2062995863 JYXMHCAHEUJTKR-LLVKDONJSA-N 306.366 1.270 10 10 DDCE CCOC(=O)[C@H](NCCCN=[N+]=[N-])C(C)(C)S(C)(=O)=O 2166710934 RRSQHYXLVVYVDL-VIFPVBQESA-N 306.388 1.031 10 10 DDCE CN(Cc1cnsn1)c1cc2c(cc1Cl)[C@H](O)C(=O)N2 2167117026 UGVYYUAMULVEKF-NSHDSACASA-N 310.766 1.813 10 10 DDCE C[C@H](C[C@@H]1CCCS1(=O)=O)NCc1ccc(F)cc1O 2204731493 DQJOOKXDRXWRQS-MFKMUULPSA-N 301.383 1.977 10 10 DDCE Nc1ccc(OCC(=O)Nc2nccc(Br)n2)cc1 2271989610 XHWLYIXIDOUUFA-UHFFFAOYSA-N 323.150 1.839 10 10 DDCE C[C@H]1CC[C@H](S(C)(=O)=O)CN1c1ccc(CO)cc1F 2279422957 KEHJAMQLPSOULR-JQWIXIFHSA-N 301.383 1.720 10 10 DDCE CC[C@@H]1C[C@]1(NC(=O)NCc1cnc(SC)s1)C(=O)O 2284552785 AUHMAHZTSADTGM-JMCQJSRRSA-N 315.420 1.918 10 10 DDCE CSc1ncc(CNC(=O)NC[C@H](C)CC(=O)O)s1 2269136249 XTRAUSKZGDKMKI-SSDOTTSWSA-N 303.409 1.775 10 10 DDCE Cn1cc(/C=C/C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)cn1 119598183 ALIFWWWLOORFLM-PSKZRQQASA-N 310.357 1.439 10 10 DDCE COC1CN(c2cc3c(cc2Br)[C@H](N)C(=O)N3)C1 310633013 OKBKLVASPZNYFS-NSHDSACASA-N 312.167 1.236 10 10 DDCE O=C(O)/C=C\c1cc(F)c(N2CCS(=O)(=O)CC2)c(F)c1 213590668 QYQTYAVYBHFIED-UPHRSURJSA-N 317.313 1.297 10 10 DDCE C[C@@H](NC(=O)C[C@H]1CCNC1)c1ccc(N2CCOCC2)cc1 130563345 DMYSSOFUYVBKBN-HUUCEWRRSA-N 317.433 1.700 10 10 DDCE O=C(N[C@H]1CCCN(c2ncccn2)C1)c1cccc(O)c1O 192986523 ZDOKGGBQHPMDTM-NSHDSACASA-N 314.345 1.287 10 10 DDCE COc1ccc(N2CCN(C(=O)CCN3CCCC3)CC2)cc1 44848935 HCJYVPFTVHEOQJ-UHFFFAOYSA-N 317.433 1.830 10 10 DDCE CN(CCS(C)(=O)=O)c1ccc(/C=C/C(=O)O)cc1F 94299232 NNBUKCBHFBADOU-GQCTYLIASA-N 301.339 1.404 10 10 DDCE CN(C)N=Nc1ccc(S(=O)(=O)NC2=NCCS2)cc1 254760912 CJKAQZHHWTYOJI-UHFFFAOYSA-N 313.408 1.628 10 10 DDCE CN1C(=O)C(=Cc2ncc(C(C)(C)C)s2)C(=O)N(C)C1=O 280347543 AQRXGXYWYIQWTF-UHFFFAOYSA-N 307.375 1.874 10 10 DDCE COCCN1CCCN(Cc2ccc(N(C)C)cc2C)CC1=O 840941643 GARVIBIKZPZREG-UHFFFAOYSA-N 319.449 1.742 10 10 DDCE Cn1cnnc1N1CCN(Cc2cc3c(cc2O)CCC3)CC1 848497224 JRKKZEDWNYNMIU-UHFFFAOYSA-N 313.405 1.332 10 10 DDCE C[C@H](N)[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 842005556 NWJIUZWEAWSPGQ-KCQAQPDRSA-N 321.421 1.819 10 10 DDCE CCN(OC)C(=O)CNCc1cc(Cl)cc(OC)c1O 843430386 KRAFIQXDRNMSIX-UHFFFAOYSA-N 302.758 1.554 10 10 DDCE CN(C)Cc1csc(CNC(=O)NCc2ccccc2O)n1 915517971 ODHBFDKQZRIVSQ-UHFFFAOYSA-N 320.418 1.910 10 10 DDCE Cn1cnc(CCNC(=O)NCc2cc(Cl)ccc2O)c1 845253843 RPVHXLWSNCNOGK-UHFFFAOYSA-N 308.769 1.821 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@H]1CCc2ncncc2C1 928706356 RATBXBKUWHWTIA-JTQLQIEISA-N 301.321 1.743 10 10 DDCE COc1ccc(N2CCN(CCO[C@@H]3CCOC3)CC2)cc1F 929824688 XVHXGEDHFCVXPU-OAHLLOKOSA-N 324.396 1.762 10 10 DDCE Cc1ccc(O)c(CNC[C@H](N)c2ccc(N(C)C)cc2)n1 841041863 FXLJYRAAENUQCS-HNNXBMFYSA-N 300.406 1.951 10 10 DDCE CO[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C1CCC1 852792672 ZGACKTKCGSMQBS-CVEARBPZSA-N 305.422 1.684 10 10 DDCE COC(=O)[C@@H]1OCC[C@@H]1NCc1cc(F)cc(C(C)=O)c1O 852415629 QQMQHCGRGNVESF-GXTWGEPZSA-N 311.309 1.154 10 10 DDCE COC[C@@H](NC(=O)c1ccc(C)c(O)c1O)C1CCOCC1 855291474 NENCIUWBXZQWEL-CYBMUJFWSA-N 309.362 1.578 10 10 DDCE O=C(CCc1nn[nH]n1)NCc1ccc(N2CCCC2)cc1 864862399 KYDCXYOZIORWTQ-UHFFFAOYSA-N 300.366 1.049 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C3(F)CCOCC3)C2)cc1 869228955 QGMNIAHKFBRZCU-CYBMUJFWSA-N 322.380 1.909 10 10 DDCE C[C@H](CS(C)(=O)=O)C(=O)NCc1ccc2cccnc2c1O 862027389 QEFBVIGPGZTREO-SNVBAGLBSA-N 322.386 1.237 10 10 DDCE COc1ccc(CNC[C@]23COCCN2C(=O)OC3)cc1C 865768901 RLKXLCJMWHVBKS-MRXNPFEDSA-N 306.362 1.314 10 10 DDCE CN(C)c1ccc2c(c1)[C@@H](CN)N(CCCN1CCOCC1)C2 71683328 UELZDBXYGVHDDN-GOSISDBHSA-N 318.465 1.290 10 10 DDCE COc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1O 783982681 XGSIXKRINLDXCT-UHFFFAOYSA-N 318.281 1.852 10 10 DDCE COc1cccc(CNC(=O)c2cnn(C)c2SC)c1O 790787841 ORWSGABGGQRYOX-UHFFFAOYSA-N 307.375 1.786 10 10 DDCE CN(c1ccc(CN)c(Br)c1)C1CC(C(N)=O)C1 703524561 LHYSMVJCFJQTRU-UHFFFAOYSA-N 312.211 1.608 10 10 DDCE CN(C)C(=O)c1c[nH]nc1NC(=O)/C=C\c1ccc(O)c(O)c1 1154577154 PTZHYCJWRSFAKH-XQRVVYSFSA-N 316.317 1.175 10 10 DDCE CC(=O)C(=O)COC(=O)CN(C(=O)OC(C)(C)C)C(C)C 1329505644 ACEXBHORIHCYFI-UHFFFAOYSA-N 301.339 1.333 10 10 DDCE COc1cccc(CNC(=O)c2cc3n(n2)CCC[C@@H]3O)c1O 1545683871 CSOWOKWUXMQKAZ-ZDUSSCGKSA-N 317.345 1.355 10 10 DDCE CC(C)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)N1CCOCC1 1623745164 BCZKEQZGFSGIGI-AWEZNQCLSA-N 322.405 1.113 10 10 DDCE O=C(CNC(=O)c1c(F)ccc(O)c1O)Nc1cccc(F)c1 1558921907 GQEKVJJCLOISQB-UHFFFAOYSA-N 322.267 1.745 10 10 DDCE Cc1ccc(C(=O)N2CCC(c3ncon3)CC2)c(O)c1O 1635315936 FJAQFTRCVRKUPH-UHFFFAOYSA-N 303.318 1.809 10 10 DDCE CN1C[C@H]2CC[C@H]1[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C2 1638897432 DPJXVZOFYORCDX-IHRRRGAJSA-N 304.390 1.487 10 10 DDCE CCC(CC)(CO)CNS(=O)(=O)Cc1ccc(N)cc1 230202467 NJJCTLXQQFBNQU-UHFFFAOYSA-N 300.424 1.487 10 10 DDCE COCC(=O)NCC1(NCc2ccc(OC)c(C)c2)CCC1 1673136374 TWKDTGNFOZQGNB-UHFFFAOYSA-N 306.406 1.779 10 10 DDCE CC(C)(C)OC(=O)NCCN1CCN(CCCN=[N+]=[N-])CC1 1962304110 LLKPBZWDPASDBF-UHFFFAOYSA-N 312.418 1.829 10 10 DDCE C[C@H]1C[S@@](=O)CCN1c1ccc(CO)cc1Br 2004527985 AXIZUSWVSISMRB-XYZCENFISA-N 318.236 1.899 10 10 DDCE Cn1nnc(Br)c1CNCCc1ccc(N)cc1 2028900673 QXLRCOJCNCXQOM-UHFFFAOYSA-N 310.199 1.492 10 10 DDCE CO[C@@H]1C[C@H](CN)N(Cc2ccc(Br)cc2O)C1 2030289452 YUMWBCOVTXVSDP-VXGBXAGGSA-N 315.211 1.703 10 10 DDCE Oc1ccc(Br)cc1CNC[C@@H]1C[C@H](O)CCO1 2036672005 LIVPTMZTXXFXTG-NEPJUHHUSA-N 316.195 1.784 10 10 DDCE Cc1nnc(CNCc2cc(Br)ccc2O)n1C 393169793 BVWJXESMUYMHGT-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE CS(=O)(=O)C[C@H]1CCCN(c2ccc(CN)c(F)c2)C1 394210623 DRACCXALUVTHCG-NSHDSACASA-N 300.399 1.545 10 10 DDCE OC[C@H]1CN2CCC[C@H]2CN1Cc1c(O)ccc(Cl)c1F 2065122514 GHTHGAFQUVVTAW-WDEREUQCSA-N 314.788 1.826 10 10 DDCE N[C@H]1CN(Cc2ccc(Br)cc2O)CC[C@@H]1CO 2058518139 ZRRONTUYFWGSFC-PWSUYJOCSA-N 315.211 1.296 10 10 DDCE C[C@]1(O)CN(c2ccc(CN)cc2Br)CC[C@@H]1O 2081724023 QPQFQAVVPFKWGL-STQMWFEESA-N 315.211 1.230 10 10 DDCE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1cc([N+](=O)[O-])ccc1O 173396219 USILYRVLQHSLIE-VHSXEESVSA-N 316.379 1.554 10 10 DDCE COc1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)c(O)c1 119862845 PMXQEJTUOSCUDG-INIZCTEOSA-N 312.369 1.813 10 10 DDCE CC(C)C(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3)CC1 62575771 JKJFTPNZUAVYRA-UHFFFAOYSA-N 301.390 1.876 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@H]2Cn2ccnc2)c(O)c1O 182565953 FAFGEGHARRCKRX-LBPRGKRZSA-N 301.346 1.908 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3CCN[C@H]3C)CC2)cc1 316019671 CSPPFUAMLACPRO-XJKSGUPXSA-N 303.406 1.342 10 10 DDCE CC(C)(C)OC(=O)NC[C@@]1(c2ccc(O)c(O)c2)CCNC1 1952177573 KMAVQOIPJAENGY-MRXNPFEDSA-N 308.378 1.854 10 10 DDCE CO[C@H](CCS(C)(=O)=O)CNCc1ccc(Cl)cc1O 2364094643 FOJOFZHIOGUYFW-GFCCVEGCSA-N 321.826 1.585 10 10 DDCE C[C@H](O)CN(CCO)c1ccc(CN)c(Br)c1 383290043 MVRCFGIMFXELMX-VIFPVBQESA-N 303.200 1.087 10 10 DDCE COC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 93528608 IBGXQJUFRGUEAC-KRWDZBQOSA-N 306.406 1.370 10 10 DDCE CC(C)[C@H](C)CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 803665234 ZUMCBCMRXNLBQO-GFCCVEGCSA-N 323.412 1.916 10 10 DDCE CC(=O)C(=O)COC(=O)c1nn(-c2cccc(C)c2C)cc1O 808547826 UMYKOOBDJGUOOO-UHFFFAOYSA-N 316.313 1.510 10 10 DDCE C[C@H](NC(=O)Cc1c(O)ncnc1O)c1ccc(N(C)C)cc1 907492253 HWAXEOWBCVCQJR-JTQLQIEISA-N 316.361 1.374 10 10 DDCE C[C@@H]1CS(=O)(=O)CCN1C/C=C/c1ccc(N(C)C)cc1 835026627 WRIZXZCVPLWLBZ-ISZGNANSSA-N 308.447 1.885 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](C)[C@@H](C(=O)O)C2)c1O 843040921 MCFCXWBZAKACMB-KOLCDFICSA-N 324.333 1.852 10 10 DDCE CCOc1ccc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)c(O)c1 841892180 UDFIHBBVUNNZEF-KGLIPLIRSA-N 308.422 1.678 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)Cn2ccnc2)cc1 846448021 WJDJOQUVYZWLQI-UHFFFAOYSA-N 302.378 1.487 10 10 DDCE C[C@H](NC[C@]1(OCCO)CCOC1)c1ccc(N(C)C)cc1 850509638 SGNGVLHNIZQKGH-WMLDXEAASA-N 308.422 1.571 10 10 DDCE COc1cccc(CNC(=O)[C@]23C[C@H]2COC32CCC2)c1O 934940112 IHPSBPOONPGBTH-SJCJKPOMSA-N 303.358 1.976 10 10 DDCE COCc1ncc2c(n1)CCN(C(=O)c1cccc(O)c1O)C2 869681078 FHBQJBCJAMGRAR-UHFFFAOYSA-N 315.329 1.233 10 10 DDCE CC[C@H](C(=O)Nc1ccc(N)cc1)N1CCC(C(=O)O)CC1 62460631 LEBZIFJLHNRHCH-CQSZACIVSA-N 305.378 1.783 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](C2OCCO2)C1 1542760421 ASKUSXVMGUMERR-LBPRGKRZSA-N 307.346 1.252 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CC[C@H]4C[C@@H]43)c(Br)cc21 706974681 SQURKDOTJIOGFR-IAOBUDJDSA-N 308.179 2.000 10 10 DDCE O=C1NCC[C@H]1NCc1cc(Cl)cc(Br)c1O 708145036 HFRQBVVLBJGJCB-SECBINFHSA-N 319.586 1.786 10 10 DDCE C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[S@]1=O 1154202073 WHAVVASQIHDRIT-ZQJOYCHOSA-N 322.390 1.832 10 10 DDCE COc1cccc(C[C@H](O)C(=O)NCc2cc(O)ccc2O)c1 1303225493 JIGOFDXJDQNIET-INIZCTEOSA-N 317.341 1.326 10 10 DDCE CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C1CC(C)(C)C1 1261866560 HOEQZPYQGVICKS-UHFFFAOYSA-N 302.374 1.881 10 10 DDCE CNCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(Br)c1 2136613917 NCHJWXMASDIQKL-IWIIMEHWSA-N 324.222 1.336 10 10 DDCE O=C(NCCc1nc2c(s1)COCC2)c1cc(O)cs1 1472131156 FIIYBWLJIZCNIR-UHFFFAOYSA-N 310.400 1.955 10 10 DDCE C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CN(C)CCO1 1545547802 VEELLHOIEJNKTE-ZWNOBZJWSA-N 319.365 1.298 10 10 DDCE C[C@@H](O)C[C@H]1COCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1624863609 GXGQKWKWOJRAAZ-MFKMUULPSA-N 320.349 1.461 10 10 DDCE O=C(Nc1csnc1Br)c1cc(O)nc(O)c1 1925095671 BDKRUTWOSGZRAE-UHFFFAOYSA-N 316.136 1.964 10 10 DDCE CCCOc1ccnc(CC(=O)NCc2ccc(O)cc2O)n1 1630307075 RIDFBIGBSKMHBK-UHFFFAOYSA-N 317.345 1.536 10 10 DDCE O=C(NCCCSc1nccs1)[C@@H]1CCCn2ncnc21 1632807154 OTMYSWQCLXPSMF-SNVBAGLBSA-N 323.447 1.911 10 10 DDCE C[C@@H](CO)N(C[C@@H](C)O)C(=O)c1ccc(N=NC(N)=O)cc1 1638580585 MWXBIKWIUMOLES-VHSXEESVSA-N 308.338 1.053 10 10 DDCE CON1CCC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)CC1 1642237001 DMMHTXNAZZDEET-UHFFFAOYSA-N 319.365 1.947 10 10 DDCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)[C@H]2C[C@@H]2C)cc1C 1677106321 DWHWPKFWJKNCGK-MAZHCROVSA-N 320.433 1.569 10 10 DDCE COCC(=O)NC1CCN(CCCOc2ccc(N)cc2)CC1 586048631 JOYOQXLJXKSKBM-UHFFFAOYSA-N 321.421 1.265 10 10 DDCE NCc1ccc(N2C[C@@H](O)[C@H](F)C2)c(F)c1Br 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10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)c1cccc(O)c1O 1982314850 SJQAXIFEEUONQF-KOLCDFICSA-N 322.361 1.741 10 10 DDCE CC(C)OC(=O)NS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2155554126 WEHDVFLKQKQKFM-SECBINFHSA-N 305.360 1.531 10 10 DDCE COc1ccc(N(CCCN)CCCS(C)(=O)=O)cc1 63014528 JDUTYCRWXJIOGX-UHFFFAOYSA-N 300.424 1.285 10 10 DDCE O=S1(=O)CCCCN1CCNCc1cc(Cl)ccc1O 405479995 JFFNALRSSPNICB-UHFFFAOYSA-N 318.826 1.561 10 10 DDCE CN(CC(C)(F)F)S(=O)(=O)CCOc1ccc(N)cc1 701308022 RORARUYEWCWELY-UHFFFAOYSA-N 308.350 1.564 10 10 DDCE COC(=O)[C@H]1SCCN1C(=O)C=Cc1ccc(O)c(O)c1 2059787956 SQGIZXJTMAIYKT-CYBMUJFWSA-N 309.343 1.186 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCCc3cnccc3C)c2n1 2062054362 XGMAFKJZQMZRBT-UHFFFAOYSA-N 311.345 1.419 10 10 DDCE CCCOc1cc(N(C)CCS(=O)(=O)CC)ccc1N 2170440760 JTIHUEKAVDLUFX-UHFFFAOYSA-N 300.424 1.929 10 10 DDCE Cn1nncc1CCNCc1ccc(Br)cc1O 2059306407 POXVMGSVHKGXSU-UHFFFAOYSA-N 311.183 1.616 10 10 DDCE C[C@H]1CNC[C@H]1CS(=O)(=O)Nc1ccc(O)cc1Cl 2087408411 NNRXDRYIKASQFW-IUCAKERBSA-N 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CO[C@@H](C)CS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(N)cc1 2283826227 MLVYKOZRWCKMLO-UWVGGRQHSA-N 300.380 1.046 10 10 DDCE CSc1ncc(CNC(=O)C[C@H]2CNC3(CC3)CO2)s1 2284504047 JDCQLQJWEBREGE-VIFPVBQESA-N 313.448 1.392 10 10 DDCE O=C1CCN[C@H](c2cc(I)ccc2O)C1 1951729084 ORYOLUZMFMHWHA-JTQLQIEISA-N 317.126 1.990 10 10 DDCE C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1ccc(N)cc1 21515295 AIPIXXVZKLNKOD-MRVPVSSYSA-N 304.379 1.710 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H](CO)C3)cc2N1 301114211 XYTWTHWDSZEJIJ-SECBINFHSA-N 307.306 1.134 10 10 DDCE O=S(=O)(NCCNCc1c(O)cccc1Cl)C1CC1 1964610841 WWCPEQVMITZYEF-UHFFFAOYSA-N 304.799 1.217 10 10 DDCE C[C@@H]1CCN(S(=O)(=O)CCOc2ccc(N)cc2)C[C@@H]1C 129201625 BQQIOJXVOJIPEZ-OLZOCXBDSA-N 312.435 1.955 10 10 DDCE CCN(CC)[C@H](C)CNC(=O)NCc1cccc(OC)c1O 73654730 VTDIKXSRTWGBTC-GFCCVEGCSA-N 309.410 1.930 10 10 DDCE CN(C)C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 210705927 AIEXHSPEYFHEJN-LLVKDONJSA-N 324.377 1.622 10 10 DDCE CC(=O)N[C@@H]1CCN(c2ccc(CN)c(Br)c2)C1 228155401 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305.378 1.342 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3C[C@@H]4[C@@H](C3)C4(F)F)cc2N1 845755088 UFMWEGUFSRQTRX-RNFRBKRXSA-N 311.244 1.627 10 10 DDCE Nc1ccc(NC(=O)c2cn([C@@H]3CCCNCC3)nn2)cc1 852790566 SCJGICJGJCFRDE-CYBMUJFWSA-N 300.366 1.427 10 10 DDCE C[C@@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)c2ncnn21 851662706 GYMZRFWFZQYNMF-MFKMUULPSA-N 300.366 1.408 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccnc1C(N)=O 763238469 GMQNFZBIPICFQD-UHFFFAOYSA-N 312.373 1.519 10 10 DDCE O=C(OC[C@H]1CC2(CCOCC2)CO1)c1cccc(O)c1O 869476513 DKRZDVKSSMGVCM-LLVKDONJSA-N 308.330 1.840 10 10 DDCE C[C@H](NC(=O)[C@@H](O)C1CCOCC1)c1ccc(N(C)C)cc1 775403196 HKJSZRWIZITHGR-LRDDRELGSA-N 306.406 1.717 10 10 DDCE CC(=O)c1cc(F)cc(Cn2cc(C(=O)N(C)C)nn2)c1O 880995711 FADOJTXPMMQRLT-UHFFFAOYSA-N 306.297 1.076 10 10 DDCE COC[C@@H](C)CNCCN1CCN(c2ccc(OC)cc2)CC1 783601492 PGGUUNIUVAKRDF-INIZCTEOSA-N 321.465 1.689 10 10 DDCE COC(=O)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cn1 782809252 RXTNBIWCLHRTMJ-CLTKARDFSA-N 314.297 1.931 10 10 DDCE 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10 10 DDCE Cc1cccc(CN(C)C(=O)c2cnn3c(O)cc(C)nc23)n1 2064738073 FUZSCQQQXMONMS-UHFFFAOYSA-N 311.345 1.719 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](CN2CCC[C@@H]2CN=[N+]=[N-])C1 2179616282 NMUXEJQXUUPYMD-NWDGAFQWSA-N 301.416 1.433 10 10 DDCE CCCN(CCS(C)(=O)=O)Cc1ccc(F)c(F)c1O 2170128857 BUQLFWXZMNCITJ-UHFFFAOYSA-N 307.362 1.927 10 10 DDCE NCc1cc(F)c(N2CC[C@@]3(C[C@H](O)CO3)C2)cc1Cl 2201773883 RZIQTDHDMKBHFV-IINYFYTJSA-N 300.761 1.668 10 10 DDCE COc1cc(N(C)CCS(=O)(=O)C(C)C)ccc1CN 2204556843 IOOUOUUDNYOSKF-UHFFFAOYSA-N 300.424 1.413 10 10 DDCE CS(=O)(=O)[C@@H]1CCC[C@H]1NCc1cc(F)cc(F)c1O 2205994898 CVDSBOXRAPJKDB-VXGBXAGGSA-N 305.346 1.726 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CCOCC[C@H]2N)s1 2269256406 NQSBBIQSXBPSOA-VHSXEESVSA-N 301.437 1.235 10 10 DDCE COCCN(CC(=O)O)C(=O)NCc1cnc(SC)s1 2284544366 OSUHGWBPJKFMJV-UHFFFAOYSA-N 319.408 1.108 10 10 DDCE CSc1ncc(CNCC23C4C5C2C2C3C4C52CO)s1 2284709144 CZIVLPSCCGRZSS-UHFFFAOYSA-N 306.456 1.685 10 10 DDCE Cc1cc(N(C)CCN(C)S(C)(=O)=O)ccc1[C@H](C)O 2285163726 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10 DDCE O=S(=O)(C(F)F)[C@H]1CCN(Cc2cccc(F)c2O)C1 2368710406 SPWXKONYGFORSD-VIFPVBQESA-N 309.309 1.743 10 10 DDCE COC(=O)CCS(=O)(=O)N(Cc1ccc(N)cc1)C1CC1 49063109 KYECGXHDLBSPKJ-UHFFFAOYSA-N 312.391 1.126 10 10 DDCE Cc1ccc(O)c([C@@H](C)NCCCS(=O)(=O)N(C)C)c1 2367624377 XAVUOSJBBLFSHO-GFCCVEGCSA-N 300.424 1.633 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 808537647 QGYKGEDBNYUZDI-RKDXNWHRSA-N 300.232 1.909 10 10 DDCE CC(=O)C(=O)COC(=O)CCN(Cc1ccccc1)C(C)=O 808511917 DZYWALSTDYXQFP-UHFFFAOYSA-N 305.330 1.127 10 10 DDCE CC(=O)C(=O)COC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 808497872 XZIBRXFWVBENSU-UHFFFAOYSA-N 313.350 1.335 10 10 DDCE O=C(NCc1cc(Br)ccc1O)C1(O)CCC1 804735045 JDXMVBLQVOWFQB-UHFFFAOYSA-N 300.152 1.686 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ncccc2F)c1 131125588 FUEAFJXMORBYNG-AATRIKPKSA-N 314.320 1.652 10 10 DDCE Oc1cc(O)c([C@H](CC(F)(F)F)N2CCNCC2)c(O)c1 575288031 SMHUVCHFSJNNSB-VIFPVBQESA-N 306.284 1.702 10 10 DDCE C/C=C/[C@H](O)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 900999481 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303.305 1.846 10 10 DDCE Cc1nc(F)ccc1/C=C1/SC(=S)N(CC(N)=O)C1=O 779204608 RFKJWMDPOBLCBY-XBXARRHUSA-N 311.363 1.216 10 10 DDCE CCN(CC)C(=O)CNC(=O)c1cc2cc(O)c(O)cc2s1 895886929 HUGOEQWZEBPXCT-UHFFFAOYSA-N 322.386 1.911 10 10 DDCE C[C@@H](N)c1ccc(N(C)C2CCS(=O)(=O)CC2)c(F)c1 694170224 LWSDANMYEABKHR-SNVBAGLBSA-N 300.399 1.859 10 10 DDCE COC(=O)[C@H]1CCC[C@@H](C(=O)NCc2cc(O)ccc2O)C1 1455356190 HNOKJXBQCDMSPC-MNOVXSKESA-N 307.346 1.693 10 10 DDCE C[C@@H](O)[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCO1 1629765773 NXCVFHKWHDHWHT-BXKDBHETSA-N 306.322 1.071 10 10 DDCE CC(C)O[C@]1(CNC(=O)Cc2ccc(O)c(O)c2)CCOC1 1652382006 LEBTUDVTVBVOLG-INIZCTEOSA-N 309.362 1.341 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CC[C@H](c2nn[nH]n2)C1 1655439364 LHVPSEBHGPEYSI-AWEZNQCLSA-N 314.393 1.026 10 10 DDCE Nc1ccnn1CC(=O)NCc1c(O)ccc2c1CCCC2 1595612354 DQDDMJWSWXRLOZ-UHFFFAOYSA-N 300.362 1.366 10 10 DDCE O=S(=O)(NCCCNCc1cccc(F)c1O)C1CC1 1964060748 MPYCDCHEXRAPKF-UHFFFAOYSA-N 302.371 1.093 10 10 DDCE CS(=O)(=O)C[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1 897596975 ZLWTXGLFYVWFSZ-GFCCVEGCSA-N 319.810 1.291 10 10 DDCE O=S1(=O)CC[C@@H]2CN(c3c(F)cc(CO)cc3F)C[C@@H]21 2145049333 LZEINFYTDGANFY-SKDRFNHKSA-N 303.330 1.080 10 10 DDCE CN1CCN(c2ccc(N)cc2)[C@@H](CNC(=O)C(F)(F)F)C1 1977933598 FTMXICYVHZBXIG-LBPRGKRZSA-N 316.327 1.068 10 10 DDCE [N-]=[N+]=N[C@H]1CCCN(C(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 2155552006 NRHQAFGRQLYXEK-MNOVXSKESA-N 300.384 1.503 10 10 DDCE Nc1ccc(CS(=O)(=O)NC2C[C@H]3CSC[C@@H]3C2)cc1 2161050907 ZORRPIDCXPZKAX-RYUDHWBXSA-N 312.460 1.830 10 10 DDCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cnn(C)c1Br 712458861 KERWEEFTVXVHMG-ZETCQYMHSA-N 317.147 1.297 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1cccc(Cl)c1O 697037354 OWSDJADWOZQUGS-NWDGAFQWSA-N 319.810 1.289 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC3(C4CC4)CCOCC3)c2n1 2062282301 ASZOFQNEZYYDJY-UHFFFAOYSA-N 316.361 1.432 10 10 DDCE O=C(Nc1cnc(Br)nc1)c1cccc(O)c1O 2054489028 CZSNFOWBTQYXPU-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE 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C[C@@H]1C(=O)NCCN1C(=O)c1cc2cc(O)c(O)cc2s1 896114782 IUMICKUZFMKCKN-SSDOTTSWSA-N 306.343 1.273 10 10 DDCE CC[C@@H](CNCc1ccc(N2CCC(O)CC2)cc1)C(=O)OC 895138393 GGIDNQBRLMFMHL-HNNXBMFYSA-N 320.433 1.937 10 10 DDCE COc1ccc(N2CC(CNC(=O)C(F)(F)F)C2)c(N)c1 1959564491 GLIXHOULSJHRSN-UHFFFAOYSA-N 303.284 1.392 10 10 DDCE C[C@H](c1ccc(F)cc1O)N1CCN(S(C)(=O)=O)CC1 134029750 BDMYFGLSMPPZKC-SNVBAGLBSA-N 302.371 1.170 10 10 DDCE Cn1cc(C(F)F)c(CNC(=O)Cc2ccc(O)c(O)c2)n1 1152067637 AHWDRHPABFNNJD-UHFFFAOYSA-N 311.288 1.628 10 10 DDCE C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 1156039990 MMHZQIYLTOIRJR-VUHZHCFISA-N 322.390 1.831 10 10 DDCE COC(=O)c1ncnc(NCc2c(O)cccc2F)c1OC 1307214323 ABLVSXPORULNSK-UHFFFAOYSA-N 307.281 1.729 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2C2OCCO2)cc1 1179493512 AARPQTRFOGHYIW-GFCCVEGCSA-N 318.333 1.827 10 10 DDCE Cn1cc(C(=O)CCC(=O)NCc2ccc(O)cc2O)cn1 1299573534 KQBOOPBFBOZBRY-UHFFFAOYSA-N 303.318 1.111 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@@H]2CCNC2=O)cc1Br 1916797518 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C[C@H](C(=O)N1CC(N=[N+]=[N-])C1)N1CC(NC(=O)OC(C)(C)C)C1 1987822044 REUGGYSAFLAVDY-SECBINFHSA-N 324.385 1.105 10 10 DDCE NCc1ccc(N2CC([C@H](F)CO)C2)cc1Br 2001906182 XAQUEDZNMLZWPR-GFCCVEGCSA-N 303.175 1.674 10 10 DDCE CO[C@]1(CO)CCN(c2ccc(CN)cc2Br)C1 402888067 DAUFIKDAPSTTPV-CYBMUJFWSA-N 315.211 1.495 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)cc1Cl 703136209 DFRIWJHBFDLEAS-NXEZZACHSA-N 317.842 1.488 10 10 DDCE CCS(=O)(=O)CCN(C)c1c(F)cc(CNC)cc1F 2170433163 IEUCMWZVEVZPQS-UHFFFAOYSA-N 306.378 1.555 10 10 DDCE OCc1ccc(N2CCO[C@H]3COC[C@H]32)cc1Br 2072505617 DQLVDCPZNICBOH-OLZOCXBDSA-N 314.179 1.545 10 10 DDCE CSc1ncc(CNC[C@H](N)Cc2ncns2)s1 2257128303 QAWDSCPGFHVWRJ-SSDOTTSWSA-N 301.466 1.376 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)s1 2269094963 VJCWKYDKNUNCJC-SFYZADRCSA-N 300.405 1.838 10 10 DDCE CNCc1ccc(OC)c(COCCCS(C)(=O)=O)c1 2295763306 HGTYXQBFQKFFJA-UHFFFAOYSA-N 301.408 1.366 10 10 DDCE O=C(O)[C@]1(Sc2nccs2)CNC2(CCOCC2)C1 2351876112 XMSJTEXXEJSKMS-GFCCVEGCSA-N 300.405 1.601 10 10 DDCE CN(C)c1nnc(SCC(=O)N(C)c2ccc(N)cc2)s1 111315205 YXMQFIAWUSDKTH-UHFFFAOYSA-N 323.447 1.941 10 10 DDCE CN(CCOCCO)c1ccc(CN)c(Br)c1F 302428531 RWPVAJFWOZCSFH-UHFFFAOYSA-N 321.190 1.492 10 10 DDCE CN(CC1(CO)CC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 302522698 YKTXMKASFICPFK-UHFFFAOYSA-N 307.306 1.134 10 10 DDCE COc1cc(N2CCN(Cc3cc(F)ccc3O)CC2)ncn1 184438522 LVTKXHFENMMBMQ-UHFFFAOYSA-N 318.352 1.652 10 10 DDCE Cc1cc(C(=O)NCCCn2ccnn2)c(C)n1-c1ccccn1 182731170 NMOMDQXDWPMQMT-UHFFFAOYSA-N 324.388 1.901 10 10 DDCE CC(=O)N1CCC(NC(=O)/C=C\c2ccc(N(C)C)cc2)CC1 96157918 HXIUIBRPZPZUQB-TWGQIWQCSA-N 315.417 1.893 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccc(OC)cc1O 93417430 BFVSFRHLZBNKEZ-LLVKDONJSA-N 301.408 1.656 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1 246334184 GMQWKKFRZHLABA-IUODEOHRSA-N 321.421 1.929 10 10 DDCE CC(C)(C)OC(=O)C1CN(C(=O)c2c(F)ccc(O)c2O)C1 295874822 GBJGPBYBENGWMR-UHFFFAOYSA-N 311.309 1.651 10 10 DDCE O=[N+]([O-])c1cc(Cl)cc(CN2CCOC[C@@H](O)C2)c1O 294934310 ZSVPPGAYELKVEU-JTQLQIEISA-N 302.714 1.147 10 10 DDCE CCN(C)c1ccc([C@H](C)N[C@H]2CCC(=O)N(C)C2=O)cc1 818361530 KSRDHYMQGANAKO-WFASDCNBSA-N 303.406 1.941 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]3COC[C@H]3C2)c1O 827602711 SSZOTZSVZKWGDQ-VXGBXAGGSA-N 308.334 1.777 10 10 DDCE COc1ccc(O)c(CN2CC[C@@H](CN3CCOC3=O)C2)c1 824454248 ACNBXDICWNJEDJ-GFCCVEGCSA-N 306.362 1.675 10 10 DDCE COC(=O)[C@@H](CF)NCc1ccc(Br)cc1O 825940209 PPAJPEYBNYWSHX-SECBINFHSA-N 306.131 1.755 10 10 DDCE Cc1cc(CC(=O)NC[C@](C)(O)CO)c(C)n1-c1ccccc1 834866061 QFWVVBKOMWEFRR-SFHVURJKSA-N 316.401 1.496 10 10 DDCE CC(C)(C)C[C@H](O)CC(=O)N(CC(=O)O)Cc1ccccc1O 911488201 HHTKBIBZSMWIHJ-CYBMUJFWSA-N 323.389 1.993 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)CCCCC(N)=O)cc1 846442020 IDSUMCCTAYHNQY-UHFFFAOYSA-N 321.421 1.636 10 10 DDCE COc1cc(OC)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1F 844274559 CINTZNWZEWWAEK-UHFFFAOYSA-N 322.292 1.277 10 10 DDCE O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(C2CCC2)nn1 849244879 AABFYRPCLIEEHJ-ZROIWOOFSA-N 309.329 1.465 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C 849949059 QOUMCQQDHGONDZ-LLVKDONJSA-N 300.351 1.692 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C3(N)CCCC3)C2)cc1 852899630 AYFPDEMADSANMB-ZDUSSCGKSA-N 303.406 1.662 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@@H]1CCc2ncncc2C1 928706358 RATBXBKUWHWTIA-SNVBAGLBSA-N 301.321 1.743 10 10 DDCE C[C@@H](NC(=O)N[C@@H]1CCc2nnn(C)c2C1)c1ccccc1O 927864631 SFEDRNANVSNPCB-GHMZBOCLSA-N 315.377 1.438 10 10 DDCE CCOc1cccc(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)c1O 850368129 IZUPNVRDUXDIGV-WCQYABFASA-N 313.419 1.846 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)C3CCC3)C2)cc1 852843843 IHRICUXAKAYHGM-CJNGLKHVSA-N 303.406 1.518 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H](C)n3ncnc32)c1 853736601 HTOZLBWQICTWDT-JOYOIKCWSA-N 317.349 1.498 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C)OC)C2)cc1 852450919 ZLJXTHDBZHIJIV-QWHCGFSZSA-N 307.394 1.608 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCc2nn[nH]c21 862026329 KKEICBSMUICOEE-LBPRGKRZSA-N 323.356 1.795 10 10 DDCE O=C(CC1CCCC1)NCC(=O)N1Cc2cccc(O)c2C1 871200859 KTDYKIABXNLGPC-UHFFFAOYSA-N 302.374 1.931 10 10 DDCE COC(=O)c1c(CN[C@@H](C)CC(N)=O)c2cc(F)ccc2n1C 894343021 SHGUIVJHTUYPNV-VIFPVBQESA-N 321.352 1.458 10 10 DDCE O=S1(=O)CC(C2CN(Cc3c(O)ccc(Cl)c3F)C2)C1 895429194 VNJVHNURKFBWIF-UHFFFAOYSA-N 319.785 1.661 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H](C)CCN(C)C)CC2)cc1 1137387033 UUBSVQKCBDVQBE-HNNXBMFYSA-N 319.449 1.932 10 10 DDCE COc1cc(N2CCN([C@H](C)[C@@H](C)O)CC2)cc(OC)c1OC 1307665764 DBZVJOQNWQRGBI-CHWSQXEVSA-N 324.421 1.604 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cccc2nc(O)oc12 1176748195 MCESKLOGIMPPGC-UHFFFAOYSA-N 300.270 1.875 10 10 DDCE C[C@H](C(=O)NCc1c(O)ccc2ccccc12)S(C)(=O)=O 1179029903 VQYOZPMOTVRQPL-SNVBAGLBSA-N 307.371 1.595 10 10 DDCE Cc1ccc(C(=O)N2CCOC[C@H]2C(F)(F)F)c(O)c1O 1323605948 SYBBCKQDSQXXAA-VIFPVBQESA-N 305.252 1.810 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CCOC3)C2)cc1 1333591795 OQEDRFYJCJCQMV-UONOGXRCSA-N 319.405 1.610 10 10 DDCE CN1CC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1=O 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317.349 1.052 10 10 DDCE O=C(N[C@H](C(=O)O)c1ccccc1)c1cc(O)c(O)c(O)c1 1865875859 KLTXJMWYLILFAY-LBPRGKRZSA-N 303.270 1.359 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)c1cccc(O)c1O 1984415709 RDBJOIISSVNEEI-KOLCDFICSA-N 322.361 1.741 10 10 DDCE C[C@@H](CCCOC(=O)Cc1ccc(N)cc1)S(=O)(=O)O 2155491375 OUMTYVAZEUHWHK-JTQLQIEISA-N 301.364 1.411 10 10 DDCE CCS(=O)(=O)NCCNCc1cc(Cl)cc(OC)c1O 390255667 NFCZSDFXWFUZOT-UHFFFAOYSA-N 322.814 1.083 10 10 DDCE O=C1NC[C@@]2(CCN(Cc3cc(Cl)cc(Cl)c3O)C2)N1 2177681678 ZMRILUIJDJKRTF-CYBMUJFWSA-N 316.188 1.956 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC[C@@H](C2OCCO2)C1 2089608007 BCMWWJVOHUDQAT-VXGBXAGGSA-N 305.378 1.291 10 10 DDCE O=S1(=O)C[C@H]2CCN(c3ccc(CO)cc3Cl)[C@@H]2C1 2094927213 NFIIPOUBCGTFJN-ZWNOBZJWSA-N 301.795 1.456 10 10 DDCE CCOC(=O)CCCS(=O)(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2234166000 IVSMXFNQGHIFDS-UWVGGRQHSA-N 304.372 1.481 10 10 DDCE OC[C@@H]1NC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]21 2235567730 QBURHBYFQKEANP-GAFUQQFSSA-N 317.216 1.711 10 10 DDCE CC(C)(O)CNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297723447 BSGFKTPNUNUGSX-UHFFFAOYSA-N 304.390 1.424 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@H](S(=O)(=O)CCCCN=[N+]=[N-])C1 2342103818 SYOIINZGHGIKTN-ZJUUUORDSA-N 309.413 1.457 10 10 DDCE CC(C)(C)OC(=O)N[C@](C)(C(=O)O)c1c(O)cc(O)cc1O 1951735351 ANSJGMDPEHWIKC-AWEZNQCLSA-N 313.306 1.628 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)c1ccc(=O)[nH]c1 37840981 UUJKYNVMADWORW-SNVBAGLBSA-N 308.359 1.462 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc2c(c1)NC(=O)CCS2 808495253 ORXGZCSFYPYLEB-UHFFFAOYSA-N 307.327 1.436 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc([C@@H](N)[C@H](O)C(=O)O)c1O 1952683754 ZONWCRNFALFJNM-KOLCDFICSA-N 312.322 1.185 10 10 DDCE COC[C@@H](CCCN)NC[C@H]1CCN(c2ccc(OC)cc2)C1 818616124 TWNNOTHCUDTTGS-HZPDHXFCSA-N 321.465 1.865 10 10 DDCE COC(=O)CCCS(=O)(=O)CCOc1ccc(N)cc1 720492699 DAJOORKSKYTRJW-UHFFFAOYSA-N 301.364 1.016 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@H]1CO[C@H](CCC(=O)O)C1 901797802 FMALNDFSNOPUSW-CHWSQXEVSA-N 307.346 1.621 10 10 DDCE 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CN(C)c1ccc(/C=C/CN[C@@H](Cc2cnc[nH]2)C(=O)O)cc1 1332477284 RSGLQFJWFFDVCM-CWDCEQMOSA-N 314.389 1.774 10 10 DDCE O=C(CCC1CCCC1)NCC(=O)NCc1cccc(O)c1O 1263894884 ZEAQHZUWUVAZTE-UHFFFAOYSA-N 320.389 1.801 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2nnnn2c1 1297563073 VQFGROSEPDYIBQ-UHFFFAOYSA-N 318.333 1.246 10 10 DDCE C[C@H]1CN(C(=O)/C=C\c2cn(C)cn2)c2ccccc2C(=O)N1 1520657505 QHRPRWOPDPUVNW-KRZKBDHCSA-N 310.357 1.598 10 10 DDCE COc1ccc(CNC(=O)C2=CS(=O)(=O)CCC2)c(O)c1 1467470774 NESJPIVDYDQCBR-UHFFFAOYSA-N 311.359 1.110 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H]1[C@@H](O)[C@@H](N)c1ccccc1O 1920259304 KIOXKHJHQZZTFY-KWCYVHTRSA-N 308.378 1.762 10 10 DDCE C[C@@H](CNCC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1483298771 KYSUGYKRMQYAJA-JTQLQIEISA-N 303.366 1.967 10 10 DDCE CN(C)C(=O)CCCCCNC(=O)c1cc(O)c(O)c(O)c1 1865875995 LOOYLIDZZYSVNN-UHFFFAOYSA-N 310.350 1.182 10 10 DDCE Cc1ccc(O)c(CNCCC(=O)N2CCC[C@H](C(=O)O)C2)c1 1857864551 UHMOMMGREKCYKR-ZDUSSCGKSA-N 320.389 1.504 10 10 DDCE C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N=[N+]=[N-])C1 1888177388 JAVNAIMUNZNDQC-IONNQARKSA-N 301.322 1.759 10 10 DDCE CON1CC[C@@H](NCc2cccc(Br)c2O)C1 2005021810 IIPHCILMRPOCAL-SNVBAGLBSA-N 301.184 1.880 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCCN1c1ccc(CN)cc1F 2151273790 IJMZNWNKPCGVGV-LBPRGKRZSA-N 300.399 1.688 10 10 DDCE C[C@H]1CCSCCN1S(=O)(=O)Cc1ccc(N)cc1 385374498 QXUIXKFTFHDUGD-NSHDSACASA-N 300.449 1.926 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H]2C[C@]23CC3(F)F)cc1 2172025464 LHIFYMGYOUZIKH-PWSUYJOCSA-N 302.346 1.734 10 10 DDCE N[C@@H]1CCN(Cc2c(O)cccc2Br)C[C@H]1CO 2058550346 YLVIBUPGWHLSIX-JOYOIKCWSA-N 315.211 1.296 10 10 DDCE CO[C@H]1[C@H](CO)N(c2ccc(CN)cc2Cl)C[C@H]1OC 2233359705 ZTUNWYJFTLHSFI-MJBXVCDLSA-N 300.786 1.010 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H]2[C@@H](O)CO)cc1Br 2258342680 BDLRDJBDSCJYAR-WQHBLYJGSA-N 315.211 1.401 10 10 DDCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNn1cnnc1 2297321525 PIBZATVIXIXECO-UHFFFAOYSA-N 302.725 1.782 10 10 DDCE CC(C)N1C[C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)[C@H](C)C1 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COc1ccc(N(C)CCN(C)[C@H]2CCN(OC)C2=O)cc1 930851877 CVPFTAGUWXVDRE-HNNXBMFYSA-N 307.394 1.226 10 10 DDCE O[C@H]1C[C@@H]2C[C@H](C1)CN2Cc1ccc(N2CCOCC2)cc1 931505089 SKHUXAPQKKFKJH-BPQIPLTHSA-N 302.418 1.868 10 10 DDCE O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1CO[C@H](C2CC2)C1 863531685 AXJXMKHXFFTMHP-HIFRSBDPSA-N 316.357 1.724 10 10 DDCE Cc1ccc(O)c(CNC(=O)C2(N3CCOCC3)CCC2)c1 862758046 MVONRPRMZGUGQN-UHFFFAOYSA-N 304.390 1.572 10 10 DDCE CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CN2CCC1CC2 779515814 CEBPNIVVVVKHCG-PKXJPQMGSA-N 302.374 1.664 10 10 DDCE O=S(=O)(NCc1cc(Br)ccc1O)NC1CC1 796190162 AAVRWMNJCRWQGQ-UHFFFAOYSA-N 321.196 1.241 10 10 DDCE NC(=O)CC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 1142530572 QYVXWMFKXFKRQR-UHFFFAOYSA-N 320.370 1.698 10 10 DDCE CC(=O)Nc1cccc(CC(=O)NCc2cc(O)ccc2O)c1 1303225949 UIYORFWQQNFVFP-UHFFFAOYSA-N 314.341 1.915 10 10 DDCE CCCC(=O)N1CSC[C@H]1C(=O)NCc1cc(O)ccc1O 1303223290 IXLOSNSEJWINEW-LBPRGKRZSA-N 324.402 1.416 10 10 DDCE COc1ccc(CNC[C@@H](C)N(C)C(=O)[C@H](O)C(C)C)cc1C 1319453508 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10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)COC[C@H]1CCCO1 1640260199 VMHNPERFFPFMPD-GFCCVEGCSA-N 314.378 1.690 10 10 DDCE CNC(=O)CCn1c(C)nnc1N(C)Cc1ccccc1O 1769321565 XWIYUCAQHUMAHY-UHFFFAOYSA-N 303.366 1.065 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@H]1CCCN(C(=O)C2CC2)C1 1593872911 GDIBFDSXFVXUBV-LBPRGKRZSA-N 318.373 1.363 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)Cc2cnoc2)cc1C 1690614193 FJOTYADETQBFDQ-CYBMUJFWSA-N 317.389 1.829 10 10 DDCE CS(=O)(=O)C[C@@H]1CN(Cc2cccc(Cl)c2O)CCO1 897596601 XMWRHKVMVVOQKA-NSHDSACASA-N 319.810 1.291 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](Cc1ccc(O)c(O)c1)C(=O)O 1951518681 QOFOWFIEYWDOBK-SNVBAGLBSA-N 311.334 1.866 10 10 DDCE NCc1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)c(F)c1F 2145062579 XMIZOGMNPSFLLI-KOLCDFICSA-N 302.346 1.047 10 10 DDCE CS(=O)(=O)CC1CC(NCc2cccc(Cl)c2O)C1 1974460301 ZVYQJVPKEMTKEW-UHFFFAOYSA-N 303.811 1.958 10 10 DDCE Nc1ccc(O)c(CNS(=O)(=O)C[C@@H]2CC[C@H](F)C2)c1 2150403658 MINNCSKISZZQIY-KOLCDFICSA-N 302.371 1.532 10 10 DDCE COCCNCc1cnc(SC[C@H]2CN(C)CCO2)s1 2155324543 PNCKFOQAEJNMHY-LLVKDONJSA-N 317.480 1.302 10 10 DDCE CCN(C[C@H]1CCCO1)C(=O)c1cnn2c(O)cc(C)nc12 2064530830 XYKPTSWGXYZOQK-LLVKDONJSA-N 304.350 1.384 10 10 DDCE CC(C)S(=O)(=O)C[C@@H](C)NC(=O)c1cccc(O)c1O 2170586410 UDTRCLXNADTICR-SECBINFHSA-N 301.364 1.039 10 10 DDCE CCc1nn([C@@H](C)c2ccc(OC)cc2O)c(N)c1C(N)=O 2079980670 IAXONIDBQGSHOS-QMMMGPOBSA-N 304.350 1.450 10 10 DDCE C[C@H](N)c1ccc(N2CC(=O)NC[C@@H]2C)c(Br)c1 2060840373 MYZAXYJRHXNXPD-IUCAKERBSA-N 312.211 1.794 10 10 DDCE CCS(=O)(=O)CCN(C)c1ccc(OC)cc1CNC 2235953672 DYDYNFUEQGPREO-UHFFFAOYSA-N 300.424 1.286 10 10 DDCE CSc1ncc(CNC(=O)[C@]2(C)C[C@H](N)CCO2)s1 2269095394 XJNMECQDVKRWGI-PELKAZGASA-N 301.437 1.378 10 10 DDCE COc1ccc(N2C(=O)C(=CNC3CC3)C(=O)NC2=S)cc1 2296110590 TXDQBYIKJRMOFA-UHFFFAOYSA-N 317.370 1.079 10 10 DDCE Cn1cnc(Br)c1C(=O)NCc1ccc(N)cc1 2315542496 KUAOOOPHXPUJBF-UHFFFAOYSA-N 309.167 1.695 10 10 DDCE CCCN(Cc1ccc(OC)cc1O)[C@@H]1CCS(=O)(=O)C1 179644370 ZSMMZMRZFCWPPM-CYBMUJFWSA-N 313.419 1.800 10 10 DDCE C[C@H](NS(=O)(=O)CCOc1ccc(N)cc1)c1ccco1 70490618 KGLORTUGOWFOEL-NSHDSACASA-N 310.375 1.921 10 10 DDCE COC(=O)[C@@H]1C[C@H](OC)CN1Cc1c(O)ccc(Cl)c1F 191358105 JEZVMCFXCJQYQV-KWQFWETISA-N 317.744 1.947 10 10 DDCE COc1ccc(CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c(O)c1 93422094 SRFIEJSYDOSJJN-QWRGUYRKSA-N 301.408 1.654 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 808508370 CKHYFGWNXZMTIB-NSHDSACASA-N 313.350 1.477 10 10 DDCE O=C(CC1OCCO1)NCc1cc(Br)ccc1O 804736364 TVIGHSVCOYBNRS-UHFFFAOYSA-N 316.151 1.534 10 10 DDCE C[C@H](N[C@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1 296419330 LHBGLLBUSFDDTH-BBRMVZONSA-N 303.406 1.452 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C[C@@]1(O)CCCN(C)C1 900731180 COQWNBJVWPAPAI-SFHVURJKSA-N 319.449 1.524 10 10 DDCE Nc1ccc(CCNCc2ccc(N3CCNCC3)o2)cc1 904352973 DZCGTCBIGIFZMR-UHFFFAOYSA-N 300.406 1.604 10 10 DDCE COC(=O)[C@]12C[C@H](N)C[C@H]1CN(Cc1cc(Cl)ccc1O)C2 903978807 MWNJOTJXOIIEFP-GHJWDPDVSA-N 324.808 1.758 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCC23CCOCC3)cc1 839582057 ZXBBJUYZBRXNRB-UHFFFAOYSA-N 317.433 1.624 10 10 DDCE Cc1cc(O)ncc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 832267251 OVQBHWZOQUKBCI-HNNXBMFYSA-N 314.389 1.591 10 10 DDCE O=C(c1cc(O)cs1)N1CCCC[C@H]1CN1CCOCC1 748373475 UOUZSAZIUIOGCZ-LBPRGKRZSA-N 310.419 1.781 10 10 DDCE C[C@@H](NC[C@@H](O)CS(C)(=O)=O)c1cc(Cl)ccc1O 927027268 STYTWWPQCYGTAQ-PSASIEDQSA-N 307.799 1.102 10 10 DDCE COc1ccc(O)c(CNCc2c3c(nn2C)CCOC3)c1 921740514 LORLYZVISCJEBL-UHFFFAOYSA-N 303.362 1.497 10 10 DDCE CCOC1CN(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 854297040 IQAZIWKMGXWMGM-CYBMUJFWSA-N 319.405 1.704 10 10 DDCE CN(C)c1ccnc(CNC(=O)NCc2c(O)cccc2F)c1 924674959 GDPHAOMHHDIOPM-UHFFFAOYSA-N 318.352 1.992 10 10 DDCE CN1CC(CN(C)C(=O)NCCCSc2nccs2)C1 853856232 VEYRSXGSVRSWJN-UHFFFAOYSA-N 314.480 1.828 10 10 DDCE COc1ccc(CNC(=O)[C@]2(CC(C)C)CCNC2=O)c(O)c1 867956418 QWXMIHZJFBSHQD-KRWDZBQOSA-N 320.389 1.569 10 10 DDCE C[C@H](c1ccc(N(C)C)cc1)N1C(=O)[C@H]2[C@H](O)CCCN2C1=O 761578756 WUSYPWHJOHINON-KCPJHIHWSA-N 317.389 1.601 10 10 DDCE CN(C)C[C@H]1CN(C(=O)/C=C\c2cnccn2)c2ccccc2O1 760816366 CTBKEUUFXPXGGI-LZNQSLFOSA-N 324.384 1.846 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@@H](O)c2cnc[nH]2)cc1F 865636244 LOCOZBUSNRFRCD-HNNXBMFYSA-N 320.368 1.745 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC1CC(C)(C)C1 1118626600 WYKIJHPQLJKMLG-UHFFFAOYSA-N 317.433 1.982 10 10 DDCE O=C1NC(C(=O)O)=C(Cl)[C@@H](c2cc(Cl)ccc2O)N1 76255784 QQBBMUSNTMCWCF-MRVPVSSYSA-N 303.101 1.935 10 10 DDCE C[C@@H](NCc1c(O)ccc(Cl)c1F)[C@@H]1CN(C)CCN1C 1474718129 XJKUYKYKADMHSI-MFKMUULPSA-N 315.820 1.909 10 10 DDCE COc1cc(C)cc(CNC[C@H]2CCCCN2CCO)c1O 894874796 QJLMQKXSNFYSLD-OAHLLOKOSA-N 308.422 1.646 10 10 DDCE COC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(O)cc1O 1142534001 VXSQYYBOCYOAQL-LBPRGKRZSA-N 310.350 1.485 10 10 DDCE O=C(NCc1c(O)ccc2ccccc12)[C@@H]1CCCS1(=O)=O 1157051001 NBSJUNBXMKSGSS-HNNXBMFYSA-N 319.382 1.739 10 10 DDCE CCCCOc1ccccc1/C=C1/C(=O)NC(=O)N(C)C1=O 1084633620 JGYMDZOEMJTZJA-BENRWUELSA-N 302.330 1.957 10 10 DDCE C[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H]1C 1329419807 NIQKQYRZJWUASH-NWDGAFQWSA-N 302.374 1.881 10 10 DDCE Cn1ncc2c1C[C@H](C(=O)NCc1cc(O)ccc1O)CC2 1471661872 FUBUUFUNWGDVDG-SNVBAGLBSA-N 301.346 1.253 10 10 DDCE Cn1cnnc1C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1540799034 QJLNQIANVTUDMX-UHFFFAOYSA-N 316.361 1.175 10 10 DDCE CN(CCN1CCCC1=O)C(=O)c1ccc(N=NC(N)=O)cc1 1629145695 GDFPAKGUSMJZSX-UHFFFAOYSA-N 317.349 1.543 10 10 DDCE C[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1O 1635798839 DRVAIEMJFJNBMC-NSHDSACASA-N 324.336 1.866 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC(=O)c1cccc(F)c1F 1634730509 AFOSVROAFOGDEM-UHFFFAOYSA-N 321.279 1.918 10 10 DDCE CN(CCCNCCCO)C(=O)c1ccc(N=NC(N)=O)cc1 1498655215 JKOCTVUQJAKQBB-UHFFFAOYSA-N 321.381 1.283 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H](C(F)(F)F)C1 1565842555 OKZMNFYBJKPNMK-LLVKDONJSA-N 305.252 1.430 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1nc2c([nH]1)CCCC2 1645368837 WYNHRLZOHCTQGF-UHFFFAOYSA-N 301.346 1.559 10 10 DDCE O=C(COc1ccc(CO)cc1)NCc1cc(O)ccc1O 1651225732 WQCSABOBOFTKPM-UHFFFAOYSA-N 303.314 1.285 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCN2CCSC[C@@H]12 1596067628 USXXUFBDPBWYEW-STQMWFEESA-N 322.430 1.336 10 10 DDCE COC(=O)[C@H](O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 154304752 WIZQYGLWYGKBMP-OAHLLOKOSA-N 316.357 1.358 10 10 DDCE Nc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1 1860078919 SUQXBZNUEVZLIE-UHFFFAOYSA-N 310.357 1.883 10 10 DDCE CN(CC(N)=O)c1ccc(CNC2CC2)cc1Br 234264284 BLFVZFPXBUSDLR-UHFFFAOYSA-N 312.211 1.623 10 10 DDCE Cc1ccc(O)c(CNCC(=O)N(C)C2CCN(C)CC2)c1 1857867801 CERBCUPEFUJMKE-UHFFFAOYSA-N 305.422 1.343 10 10 DDCE Cn1nc(C(=O)NCc2ccccc2O)cc1Br 1194440626 ZMBWIZPLNRECRT-UHFFFAOYSA-N 310.151 1.818 10 10 DDCE N[C@@H]1C[C@@H](O)CN(Cc2ccc(Br)cc2O)C1 2002695773 JWPVFQLCQBIUMS-GHMZBOCLSA-N 301.184 1.049 10 10 DDCE OCc1ccc(N2C[C@@H](F)[C@@H](CO)C2)c(Br)c1 2008015831 FKKLISUKVFNSIV-MWLCHTKSSA-N 304.159 1.708 10 10 DDCE CC1(C)CN(c2ccc(CN)c(Br)c2)CC(=O)N1 2033069077 OVAVLCBPGYIIFX-UHFFFAOYSA-N 312.211 1.623 10 10 DDCE CC[C@H](c1cc(Br)ccc1O)N1CC(O)(CN)C1 2037222967 HDOUZRDIYARNON-LLVKDONJSA-N 315.211 1.611 10 10 DDCE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1c(F)cc(CO)cc1F 2170657793 SAZQEVIKRTZMLF-DTWKUNHWSA-N 307.362 1.715 10 10 DDCE CCOc1cccc(CN[C@H](C)[C@@H](C)S(C)(=O)=O)c1O 2170597343 ODVZHPRROVILFG-GHMZBOCLSA-N 301.408 1.702 10 10 DDCE CC1(C)C[C@@H](O)[C@H](O)CN1c1cc(Cl)c(CN)cc1F 2188629522 AYKVANINMPXHSE-CHWSQXEVSA-N 302.777 1.648 10 10 DDCE C[C@H](N=c1[nH]c(=N)[nH]cc1Br)c1ccccc1O 2072485032 FBMGHVCWXMOTOC-ZETCQYMHSA-N 309.167 1.952 10 10 DDCE NCc1ccc(N2CC[C@H]3C(=O)NC[C@H]3C2)cc1Br 2100950305 ROZVCZWTHLACPS-CMPLNLGQSA-N 324.222 1.480 10 10 DDCE Nc1ccc(O)c(CNC(=O)c2ncc(Br)cn2)c1 2087557919 JHUYCZTUEZAPLP-UHFFFAOYSA-N 323.150 1.457 10 10 DDCE Cc1cc([C@@H](C)N)ccc1N1CCSC[C@H]1S(C)(=O)=O 2240831246 WCVRWKASLOMWEN-BXUZGUMPSA-N 314.476 1.939 10 10 DDCE CC1(C)C(=O)NC[C@H]1NCc1c(O)cccc1Br 2255113281 MFOJMRYLNQENGS-LLVKDONJSA-N 313.195 1.769 10 10 DDCE CSc1ncc(CNC(=O)c2csc(NN)n2)s1 2257131147 KYGOVUUJHZPVAX-UHFFFAOYSA-N 301.422 1.537 10 10 DDCE CSc1ncc(CNC(=O)N2CC3CC2(C(=O)O)C3)s1 2284543472 FXKAGDOMKOLIBX-UHFFFAOYSA-N 313.404 1.624 10 10 DDCE COc1cc(OC)c(N(C)[C@]2(CN)CCOC2)cc1Cl 2285937447 RVXCDPBWUBRSRE-AWEZNQCLSA-N 300.786 1.911 10 10 DDCE C[C@H](O)c1ccc(N2CC(O)(C(F)(F)CO)C2)c(Cl)c1 2288526711 DULSCAZUGHVWEO-QMMMGPOBSA-N 307.724 1.572 10 10 DDCE Cn1cccc1C=C1C(=O)NC(=S)N(c2ccccc2)C1=O 2296936315 MEGFBASJGORXIQ-UHFFFAOYSA-N 311.366 1.856 10 10 DDCE O=C(O)CN1C(=O)C(=Cc2ccccc2C(=O)O)SC1=S 2297532116 SCLUBSIOAGDLQL-UHFFFAOYSA-N 323.351 1.671 10 10 DDCE COc1ccc(Br)c(CN2CCCNCC2)c1O 1204674834 GPOXLZCCZRVZAK-UHFFFAOYSA-N 315.211 1.959 10 10 DDCE CCOCCONC(=O)C=Cc1ccc(N2CCOCC2)cc1 2309823293 QPPARSVRRMPGFW-UHFFFAOYSA-N 320.389 1.621 10 10 DDCE CSc1ncc(CN[C@@](C)(C(=O)O)[C@@H]2CCNC2)s1 2349499578 FVCIHMMNLYHHFS-PRHODGIISA-N 301.437 1.407 10 10 DDCE CC(C)Oc1ccc(N(C)C[C@@H](O)CN2CCCC2=O)cc1 191580994 WTJZZRGCGANONT-OAHLLOKOSA-N 306.406 1.893 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@@H](N)[C@H](O)C(=O)O)c1 1952353070 KPWKWEKQADFRAH-MNOVXSKESA-N 312.322 1.185 10 10 DDCE COc1c(O)ccc2c1C(=O)c1c(O)cc(CO)cc1C2=O 238771465 RTBAXLJYFRAIMK-UHFFFAOYSA-N 300.266 1.374 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CSC(=O)N1 266873766 DSWRGEHPWFDQAF-JTQLQIEISA-N 307.375 1.303 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 808502433 IHIABKCRENRKHF-RNCFNFMXSA-N 303.314 1.596 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 808489282 KRICNTNCABRYHL-GFCCVEGCSA-N 303.314 1.049 10 10 DDCE O=S(=O)(CCNCc1cc(F)ccc1O)CC(F)(F)F 827049672 ZVBXGMFDUHSNNV-UHFFFAOYSA-N 315.288 1.598 10 10 DDCE C[C@@H](NC(=O)[C@H](O)C1CCC1)c1ccc(N2CCOCC2)cc1 825421212 MMVBRDVLQWVSCP-CXAGYDPISA-N 318.417 1.861 10 10 DDCE CC1(C2(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)CC2)CC1 837037648 UFMDTMLFCDGKDX-UHFFFAOYSA-N 324.402 1.826 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@]1(N)C[C@H]1C(=O)O 1953059454 YHCXVVIPFHWZMT-AYVTZFPOSA-N 308.334 1.998 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)c1cccc(O)c1O 1895311737 SJQAXIFEEUONQF-MWLCHTKSSA-N 322.361 1.741 10 10 DDCE C[C@@H]1C[C@@H](C(=O)N(CC(=O)O)Cc2ccccc2O)[C@@H](C)O1 911492433 GACZHEQMDMRECB-NQBHXWOUSA-N 307.346 1.619 10 10 DDCE COc1ccc(N2CC[C@H](N3C(=O)N[C@H](CCF)C3=O)C2)cc1 849356613 FZSWUKPCJIJJGE-GXTWGEPZSA-N 321.352 1.554 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N(C)C[C@H](C)O)C2)cc1 854299709 RBBXSZGCMLNCKT-QWHCGFSZSA-N 307.394 1.296 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N(C)CC[C@@H](C)O)C2)cc1 854299361 HSOMKDSHLMSWGV-KGLIPLIRSA-N 321.421 1.686 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)CCSC)C2)cc1 852843681 DUIDLBOIWZPYOB-WFASDCNBSA-N 323.462 1.471 10 10 DDCE CCC(F)(F)CNS(=O)(=O)CCOc1ccc(N)cc1 697622156 DSPKFTIPIBBHHS-UHFFFAOYSA-N 308.350 1.612 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1 788541094 QLOOEJAXSLXYNT-KRWDZBQOSA-N 316.405 1.174 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H]2C[C@]2(CO)C1 782970484 CZBFKWDQJSBXOX-WMLDXEAASA-N 303.406 1.585 10 10 DDCE O=C(O)[C@H]1C[C@@H]1CNCc1cc(Br)ccc1O 715239217 OOOPGBSPDRZVKP-XCBNKYQSSA-N 300.152 1.965 10 10 DDCE C[C@H]1[C@H](C)CCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1329419805 NIQKQYRZJWUASH-NEPJUHHUSA-N 302.374 1.881 10 10 DDCE Cc1ccc(C(=O)N[C@@]23CCCC[C@@H]2NC(=O)C3)c(O)c1O 1335372905 GUKSHGZMNZPTED-MEDUHNTESA-N 304.346 1.337 10 10 DDCE O=C(NCc1cc(=O)n2ccccc2n1)c1cc(O)cs1 1452742374 SMEKDANABHRBCL-UHFFFAOYSA-N 301.327 1.392 10 10 DDCE Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(O)c1O 1471644698 XLGHQCZJIKLOJT-UHFFFAOYSA-N 303.274 1.639 10 10 DDCE Cn1ccnc1-c1cc(NC(=O)c2c(F)ccc(O)c2O)n[nH]1 1638503377 QMKGKBKBSGGVHJ-UHFFFAOYSA-N 317.280 1.613 10 10 DDCE CN(Cc1ccccc1O)C[C@](O)(C(N)=O)c1ccccc1 1653611104 ADTKPLUHNJHNBO-QGZVFWFLSA-N 300.358 1.197 10 10 DDCE COC(=O)Cc1cccc(C(=O)NCc2cccc(O)c2O)c1 1593739138 GORFSOJFVBEPJO-UHFFFAOYSA-N 315.325 1.743 10 10 DDCE COc1ccc(CN[C@@H](C)[C@@H](O)C(F)(F)F)c(O)c1OC 895759494 HNWAQGXLOQWHKX-JVXZTZIISA-N 309.284 1.811 10 10 DDCE CN1C(C)(C)[C@@H](NCc2ccc(Cl)cc2O)CS1(=O)=O 1967825500 RSYXVEWEICQMHE-LBPRGKRZSA-N 318.826 1.558 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NCc1ccc(O)c(O)c1O 1984415093 LLVYLNKIYZODOQ-QWRGUYRKSA-N 324.377 1.806 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)[S@@](=O)CCC[S@@](C)=O 319360832 BEXLAHKRHAPBSF-NIXNKXAPSA-N 316.448 1.113 10 10 DDCE CCNCc1ccc(N2CC(CS(C)(=O)=O)C2)c(Cl)c1 2159446464 AHIBQWVUZIQZNN-UHFFFAOYSA-N 316.854 1.930 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc(CN)c(Cl)c1 696837105 PEICKBPWRVCISL-OLZOCXBDSA-N 318.826 1.047 10 10 DDCE OCc1ccc(N2CCS[C@@H](CO)C2)cc1Br 720018209 DLBGSZHHFWHZOU-LLVKDONJSA-N 318.236 1.856 10 10 DDCE CCCN(CCS(C)(=O)=O)c1ccc(CNC)cc1F 2170166863 ROWAMTBILVULMA-UHFFFAOYSA-N 302.415 1.806 10 10 DDCE NCc1ccc(N2C[C@@H]3NC(=O)O[C@@H]3C2)cc1Br 2056816934 URULMIVAYFMAHP-WDEREUQCSA-N 312.167 1.205 10 10 DDCE Cc1ccc(CNCc2nn(C)nc2Br)c(O)c1 2219792634 QUFQZZHMSCQHQZ-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE COC(=O)[C@H](C1CC1)S(=O)(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2234167332 VPJYSZPYKQNTJK-BBBLOLIVSA-N 302.356 1.089 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC2(F)CCOCC2)cc1 2238265837 RDCORGAIAHTNKD-UHFFFAOYSA-N 302.371 1.207 10 10 DDCE C[C@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CN)cc1F 2279346842 VWYDSXPGULCYQB-CMPLNLGQSA-N 300.399 1.686 10 10 DDCE CCn1nc(C)c([C@@H](NCCN=[N+]=[N-])C(=O)OC)c1Cl 2281296482 WBMZOSPBMPSSPQ-SECBINFHSA-N 300.750 1.979 10 10 DDCE COc1cc(OC)c(N2C[C@@H](CO)[C@@H](CO)C2)cc1Cl 2285855528 UESKNLPWTWGAFT-AOOOYVTPSA-N 301.770 1.394 10 10 DDCE Nc1ccccc1NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O 2297315747 ZQRHIYGMMBYINI-UHFFFAOYSA-N 322.324 1.848 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)Nc1cnccn1 2309177412 IYDGWVLOUZGBOS-UHFFFAOYSA-N 310.357 1.965 10 10 DDCE Cc1ccc(CN2C(=O)COCC2=O)c(O)c1Br 2327603457 QMHYCNYVWHRWIQ-UHFFFAOYSA-N 314.135 1.349 10 10 DDCE COC(=O)N1CCC[C@H](C(=O)N(C)Cc2ccccc2O)C1 104853171 YCRMTWPAJVQSGX-ZDUSSCGKSA-N 306.362 1.829 10 10 DDCE OCC1CCN(c2ccc(CNC3=NCCCN3)cc2)CC1 303266638 WEDIYYGIGLDBLT-UHFFFAOYSA-N 302.422 1.334 10 10 DDCE COc1cc(Cl)cc(CN2C[C@H]3CS(=O)(=O)[C@@H]3C2)c1O 2361696480 XARPLONIOJWLNN-JOYOIKCWSA-N 317.794 1.283 10 10 DDCE CSc1ncc(CNC(=O)[C@@]2(N)C[C@@H]3OCCC[C@@H]32)s1 2359711940 RZVHSHXOGRHRDW-OUJBWJOFSA-N 313.448 1.378 10 10 DDCE C[C@@H](NC1CCN(S(C)(=O)=O)CC1)c1ccc(O)cc1O 36828458 OHOMYJHUOCRKHZ-SNVBAGLBSA-N 314.407 1.172 10 10 DDCE O=C(NCc1ccc(N2CCSCC2)cc1)N1CC(CO)C1 191151306 MDZYDURUCUHMQC-UHFFFAOYSA-N 321.446 1.374 10 10 DDCE CN[C@H]1C(=O)Nc2cc(N3CCCC[C@H]3CO)c(Cl)cc21 252599375 KSLFFAABVHHVNP-LKFCYVNXSA-N 309.797 1.904 10 10 DDCE Cc1ccc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c(O)c1O 364705977 XCJJNRXAHAXTPC-FOGDFJRCSA-N 304.346 1.145 10 10 DDCE C[C@@H](CS(=O)(=O)NCc1ccc(N(C)C)cc1)C(N)=S 2166360773 QYHGGMPLUFWCMJ-JTQLQIEISA-N 315.464 1.094 10 10 DDCE CCS(=O)(=O)COc1ccc(N2CCNCC2)c(F)c1 2163678743 LCOVTYASBQVVNB-UHFFFAOYSA-N 302.371 1.006 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(C3CC3)C2)c1 812651470 WBVRNULZQBWFMX-UHFFFAOYSA-N 310.375 1.246 10 10 DDCE O=C(O)[C@H]1C[C@@H](S(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 723256975 UKUNXBZCHQUBSM-WRXNHJIOSA-N 305.739 1.651 10 10 DDCE CN1C[C@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@H]2C1 907805860 VCOXBAURAFCCHC-PHIMTYICSA-N 318.398 1.946 10 10 DDCE CO[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 829296994 UBQBSFXOXRTEQV-HZPDHXFCSA-N 303.406 1.090 10 10 DDCE C[C@@H]1CCNC[C@H]1NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 902516123 BPJHFYGBDXBMIQ-OLMNPRSZSA-N 304.482 1.943 10 10 DDCE Cn1c(COC(=O)c2cccc(O)c2O)nnc1C1CCC1 758578473 DJKOBOAJXXIJPN-UHFFFAOYSA-N 303.318 1.851 10 10 DDCE COC(=O)CCNC(=O)CCNCc1cc(C)c(C)cc1O 858293672 ZDOKZEMIENFOGU-UHFFFAOYSA-N 308.378 1.168 10 10 DDCE COc1cc(CN(C)C[C@@H]2CCS(=O)(=O)C2)c(O)cc1C 768445108 FJKNEWYFEZGCIB-LBPRGKRZSA-N 313.419 1.576 10 10 DDCE COC[C@@](C)(O)CNC(=O)c1cc2cc(O)c(O)cc2s1 1119593093 PNPDBDQKQBFBIC-AWEZNQCLSA-N 311.359 1.440 10 10 DDCE Cc1c(Br)c(O)c([C@@H](N)CO)c(C)c1[N+](=O)[O-] 72199796 HDOPGSITDCGHAN-LURJTMIESA-N 305.128 1.672 10 10 DDCE OCCOCC1(O)CCN(Cc2ccc(F)c(F)c2O)CC1 895829090 NMSANOKKNWJJBK-UHFFFAOYSA-N 317.332 1.006 10 10 DDCE CCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H]1CCNC1=O 897663603 KRTNEVHUWMBRAE-VIFPVBQESA-N 320.370 1.663 10 10 DDCE COC(=O)NCCNCc1c(O)cccc1Br 706835782 RKADTCDMMFDJHX-UHFFFAOYSA-N 303.156 1.600 10 10 DDCE C[C@H]1NC(=O)CC[C@@H]1NCc1c(O)cccc1Br 706863870 VHOIUUOMXYURGT-KCJUWKMLSA-N 313.195 1.911 10 10 DDCE CN(Cc1cccc(Cl)c1O)C[C@H]1CCS(=O)(=O)C1 775713438 NZBFEEHOWRDUCW-SNVBAGLBSA-N 303.811 1.912 10 10 DDCE O=C(NC[C@@H](CO)Cc1ccoc1)c1c(F)ccc(O)c1O 1306890500 RTVWIBYVBRMBDA-JTQLQIEISA-N 309.293 1.411 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cccc(-c2nc[nH]n2)c1 1304053476 LTDSFCRQRCOXCV-UHFFFAOYSA-N 310.313 1.813 10 10 DDCE CN(Cc1cc(Cl)cc(Cl)c1O)C1(C(=O)O)COC1 2116495916 DMEKNDXDCKZFAL-UHFFFAOYSA-N 306.145 1.984 10 10 DDCE O=S(=O)(CCC(F)(F)CO)Nc1ccc(O)c(Cl)c1 2122193521 BHUDKRYIBIXODT-UHFFFAOYSA-N 315.725 1.805 10 10 DDCE O=C(N[C@@H]1CCCC2(C1)OCCO2)c1cc(O)c(O)c(O)c1 2132398885 AMMVLKHBFOAWHJ-SNVBAGLBSA-N 309.318 1.219 10 10 DDCE CC(C)(C)OC(=O)N1CC=C[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1911297446 KLQRLSDYWGWFSW-IJLUTSLNSA-N 308.378 1.428 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCn3ncnc32)c1 1294937379 OKMQVEZWYIBKQX-ZYHUDNBSSA-N 316.361 1.747 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cc2cc[nH]c(=O)c2s1 1451750688 GHFRQVLSAPISQL-UHFFFAOYSA-N 316.338 1.931 10 10 DDCE Cn1cc(-c2n[nH]cc2C(=O)NCc2ccc(O)cc2O)cn1 1469160176 PJQFNNSVRRQPQN-UHFFFAOYSA-N 313.317 1.151 10 10 DDCE C[C@@](CO)(NC(=O)c1cccc(O)c1O)c1ccc(O)cc1 1469484020 PRVRJFDGQXXSIN-INIZCTEOSA-N 303.314 1.441 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H](CO)[C@@H]2CCCOC2)cc1 1639147834 NQXYTZAMFBBRBY-YPMHNXCESA-N 320.349 1.366 10 10 DDCE Cc1ccc(O)c(CNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)c1 1633286631 KJKNPLFPZIJROC-OCCSQVGLSA-N 306.362 1.130 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)[C@H](O)C(C)C)cc1C 1662207582 LPXIUQFHOWBSHG-XJKSGUPXSA-N 308.422 1.615 10 10 DDCE C[C@@H]1CCCC[C@@H]1NC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878938 OXMJBSRFJOQGGB-MFKMUULPSA-N 300.366 1.553 10 10 DDCE C[C@@H](C(N)=S)S(=O)(=O)N(C)[C@H](C)c1ccccc1O 1877528167 BPTCNXFIUSEYRL-BDAKNGLRSA-N 302.421 1.389 10 10 DDCE COc1cc(Cl)cc(CNCCOCC(C)(C)O)c1O 1967715699 ITZOVTUZYCZHIM-UHFFFAOYSA-N 303.786 1.931 10 10 DDCE CN(C(=O)OC(C)(C)C)C1CN(C(=O)Cc2ccc(N)cc2)C1 1977885959 WRNYZNBGFLPUMA-UHFFFAOYSA-N 319.405 1.889 10 10 DDCE C[C@H](c1cc(F)ccc1O)N(C)CCS(=O)(=O)N(C)C 2151047184 LSLUHLBECUNMSK-SNVBAGLBSA-N 304.387 1.416 10 10 DDCE NCc1cc(F)c(N2CCC[C@]23CC[S@@](=O)C3)c(F)c1 2158465189 OKPCYRPJSHRRRU-JLTOFOAXSA-N 300.374 1.915 10 10 DDCE C[C@@H](N)c1ccc(N2CCC[C@@H]2CS(C)(=O)=O)c(F)c1 2151281032 MVMDINKGTHAGEI-ZYHUDNBSSA-N 300.399 1.859 10 10 DDCE Cn1ncc(Br)c1NC(=O)c1cccc(O)c1O 2038258942 MCUGWVLLVCWCLU-UHFFFAOYSA-N 312.123 1.846 10 10 DDCE CCCN(CC(N)=O)c1ccc(CNC)cc1Br 310875567 VDPJKAPERBAFSF-UHFFFAOYSA-N 314.227 1.870 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CC=C(F)CC2)cc1 2172966783 AMQLARRDRANBHS-UHFFFAOYSA-N 300.355 1.537 10 10 DDCE COc1ccc([C@H](C)n2ncc(S(C)(=O)=O)c2N)c(O)c1 2070207294 MBNRDYSVIDVBPE-QMMMGPOBSA-N 311.363 1.192 10 10 DDCE COC(=O)[C@@](C)(CS(=O)(=O)C(C)(C)C)NCCN=[N+]=[N-] 2170539449 POIKIMIUQACGHH-LLVKDONJSA-N 306.388 1.031 10 10 DDCE Oc1cccc(Br)c1CN1CCO[C@H]2COC[C@@H]21 2072498394 YPGNSUSNXVCWMZ-AAEUAGOBSA-N 314.179 1.754 10 10 DDCE Cc1scnc1CN(C)S(=O)(=O)Cc1ccc(N)cc1 2201266440 LLCBRIQOCLYLMC-UHFFFAOYSA-N 311.432 1.996 10 10 DDCE CN(CC1(S(C)(=O)=O)CC1)c1ccc(CO)c(Cl)c1 2111535627 VCGBLUXVTWGOKY-UHFFFAOYSA-N 303.811 1.846 10 10 DDCE C[C@H](c1ccc(Cl)cc1O)N1CC[C@H](NS(C)(=O)=O)C1 2203360363 HOHXXGROAOSZES-KOLCDFICSA-N 318.826 1.730 10 10 DDCE OCc1ccc(N2C[C@H](O)C[C@@H](F)C2)cc1Br 2213900650 MYYWCODWOBLNQH-MWLCHTKSSA-N 304.159 1.851 10 10 DDCE COCCNC[C@]1(C)CN(Cc2cnc(SC)s2)C1=O 2284673623 NEPQOWYDERYRPK-CYBMUJFWSA-N 315.464 1.450 10 10 DDCE O=C(O)C1=NN(c2ccc(F)c(F)c2Br)C(=O)C1 2256174388 KKHOWNHYEVDWJY-UHFFFAOYSA-N 319.061 1.905 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](C)C=CC(=O)O)s1 2269096502 UPJOOSZRGJTPTO-SSDOTTSWSA-N 301.393 1.694 10 10 DDCE CCS(=O)(=O)N(C)NCc1ccc(Br)cc1O 2301551191 XZSQQTOPEJHEFG-UHFFFAOYSA-N 323.212 1.441 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@H](N2CCCC2)C1 2307986788 BTBMNPIWKJSGHK-AWEZNQCLSA-N 302.374 1.808 10 10 DDCE CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)CCN1CCOC 106113941 YKLCNEOZJPZOSE-AWEZNQCLSA-N 323.393 1.843 10 10 DDCE CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 127673647 KVPOSWRCTHCDJN-OAHLLOKOSA-N 318.421 1.563 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](N)[C@H](c2cc(O)c(O)cc2O)C1 310001650 QQXANXMTNIWKTN-UWVGGRQHSA-N 310.350 1.465 10 10 DDCE CCOCCN1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1CC 193074716 SFLMINUOERILPD-ZDUSSCGKSA-N 322.405 1.671 10 10 DDCE NCc1ccc(N2CC[C@H](CO)C2)c(F)c1Br 231840603 NQICKXGMSMMGRI-QMMMGPOBSA-N 303.175 1.866 10 10 DDCE NC(=O)NC1CCN(Cc2ccc(N3CCOCC3)cc2)CC1 93051346 HVJFTZCBERIKCY-UHFFFAOYSA-N 318.421 1.156 10 10 DDCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CC(N)=O)cc1 266748477 MMQOKAMWMIEUSY-OAHLLOKOSA-N 319.405 1.136 10 10 DDCE CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 289399569 ONPHHTKICUGKPF-CYBMUJFWSA-N 316.398 1.387 10 10 DDCE CCN(CC)c1ccc(CNC(=O)CN2CCOCC2=O)cc1 280254921 SXXBVNKLPYMZMU-UHFFFAOYSA-N 319.405 1.008 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCO[C@H](C(F)F)C2)c1O 802654114 VQPYCNDHGMZHGR-JTQLQIEISA-N 318.276 1.775 10 10 DDCE COc1cc(N2CC3(CN(C)C(=O)O3)C2)c([N+](=O)[O-])cc1OC 817124942 MJKFVPGCHUJDFL-UHFFFAOYSA-N 323.305 1.253 10 10 DDCE COc1cccc(CNC(=O)c2ccc(N3CCC3)nc2)c1O 827304128 UVAHVYBPONFACJ-UHFFFAOYSA-N 313.357 1.936 10 10 DDCE COc1cc(O)c(CN2CC[C@@H](C)[C@@H](C(=O)O)C2)cc1OC 843041841 XMZPFWQZNVODIN-PWSUYJOCSA-N 309.362 1.952 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3C[C@H]4CC[C@H]3O4)C2)cc1 855232669 WPMQEWHMAKYVAM-VDNDLQMASA-N 316.401 1.958 10 10 DDCE C[C@H]1[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)CCN1C 922554590 GJGKCWQNSLQMML-KSSFIOAISA-N 303.450 1.830 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CCC(C)(C)O)C2)cc1 855223573 AGHCKGBORVSNBP-CYBMUJFWSA-N 306.406 1.941 10 10 DDCE CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 856237825 YAUADAZOWDVBCT-LLVKDONJSA-N 306.362 1.475 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC(C)=NO3)C2)cc1 855224430 FYOQAMODYSLVKN-WFASDCNBSA-N 303.362 1.555 10 10 DDCE COC(=O)CCNC(=O)CCN[C@H](C)c1ccc(C)cc1O 858542416 VISPKAVMIWDXQL-GFCCVEGCSA-N 308.378 1.421 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc2n1CCC2 935944846 ALBXXXWPRGEDCK-UHFFFAOYSA-N 306.362 1.951 10 10 DDCE C[C@H](NC(=O)NC[C@@H]1CCCS1(=O)=O)c1ccccc1O 868413813 PXKDDJZAYLGDPD-QWRGUYRKSA-N 312.391 1.330 10 10 DDCE C[C@@H](NCc1nc(O)c2c(n1)CCOC2)c1ccccc1O 1119318186 XMNNBMGTNITLGN-SNVBAGLBSA-N 301.346 1.811 10 10 DDCE CCC(=O)N1CCC[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 871200528 FIAIHQMYZYUQQH-CYBMUJFWSA-N 302.374 1.883 10 10 DDCE CN1CC[C@@](O)(CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 897398052 RQMCQZNMLUAAAN-OAHLLOKOSA-N 322.386 1.109 10 10 DDCE COC(=O)c1c(CN2CCOCC2)c2cc(F)ccc2n1C 893865728 PODSRSVCMRGIHA-UHFFFAOYSA-N 306.337 1.936 10 10 DDCE O=C(O)[C@@H]1C[C@H]1CNCc1c(O)cccc1Br 715334696 NZFVSFWKSJVCBM-JGVFFNPUSA-N 300.152 1.965 10 10 DDCE CCN(CCS(C)(=O)=O)[C@@H](C)c1ccc(OC)cc1O 688581254 VHZGVPMEFSURNW-NSHDSACASA-N 301.408 1.828 10 10 DDCE COc1cc(N2C[C@H]3CCN(C)[C@H]3C2)c([N+](=O)[O-])cc1OC 1307121900 DPRBGEAWKNQATD-MFKMUULPSA-N 307.350 1.752 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1ccc2nn[nH]c2n1 1162612386 IOVIMAQAVGCTIZ-UHFFFAOYSA-N 320.312 1.537 10 10 DDCE [N-]=[N+]=NCC1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1912154682 DCABHQLUSLXMCV-UHFFFAOYSA-N 301.294 1.405 10 10 DDCE C[C@@H](O)c1ccc(N2CC(CO)(CO)C2)c(Br)c1 1914980096 OFIWHTFXMSWLDC-SECBINFHSA-N 316.195 1.293 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1n[nH]cc1F 1290324259 ORFWNJXVLGUTLA-UHFFFAOYSA-N 318.352 1.658 10 10 DDCE CN(C)C(=O)/C=C\C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1290375168 UVFVLMAMHGSEJN-KHPPLWFESA-N 315.417 1.890 10 10 DDCE CCC[C@@]1(C)C(=O)NCCN1C(=O)Cc1ccc(O)c(O)c1 1466972240 AMUOXRKDVAWBAB-INIZCTEOSA-N 306.362 1.158 10 10 DDCE Cc1noc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1 1616406706 WTFYUXIJKHZDCQ-UHFFFAOYSA-N 305.315 1.934 10 10 DDCE C[C@H](Cc1cnn(C)c1)NC(=O)c1ccc(N=NC(N)=O)cc1 1635637779 PSTFJUKPUDJPQJ-SNVBAGLBSA-N 314.349 1.944 10 10 DDCE CN(C)CCN(Cc1ccco1)C(=O)Cc1ccc(O)c(O)c1 1635510059 TYJMOWALLQWLLA-UHFFFAOYSA-N 318.373 1.824 10 10 DDCE O=C(NCc1ccccc1O)c1ccc(Cn2ccnn2)cc1 1566373764 DIBAYVGHJDKYPO-UHFFFAOYSA-N 308.341 1.962 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc([N+](=O)[O-])c(O)c1 1639289524 SPLRGWMEFNZLNV-UHFFFAOYSA-N 304.258 1.642 10 10 DDCE O=C(Cc1ccc2c(c1)OCO2)NCc1cc(O)ccc1O 1643879250 HZQBSBVDYUCTLV-UHFFFAOYSA-N 301.298 1.685 10 10 DDCE COc1cc(N2C[C@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])cc1OC 1643180783 VELCUBFEPCGYLA-GBIKHYSHSA-N 308.334 1.819 10 10 DDCE CCNCc1ccc(N2CCS(=O)(=O)CC2)cc1Cl 233532996 NRBLCLCUDKYQKN-UHFFFAOYSA-N 302.827 1.684 10 10 DDCE NC(=O)C(F)(F)CNCc1cc(Br)ccc1O 1942148747 WBLSFSGNQUPAAH-UHFFFAOYSA-N 309.110 1.365 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1895032162 VWHHISREIXUGQH-UWCDFFNFSA-N 322.405 1.509 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1CCn2nnnc2C1 1875665475 AFGSTBQZAUIDIC-SECBINFHSA-N 324.182 1.246 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CCCCCO2)cc1 2146461252 VWFPTMMLFVSKBG-UHFFFAOYSA-N 300.380 1.395 10 10 DDCE NCc1cc(F)c(N2C[C@H]3C[C@]3(CO)C2)cc1Br 2029646243 NYODIRMXEQNVEH-NOZJJQNGSA-N 315.186 1.866 10 10 DDCE Cn1ncc([C@@H](O)[C@@H](N)c2ccccc2O)c1Br 2031155093 UMPCDYODQBRRBW-WDEREUQCSA-N 312.167 1.622 10 10 DDCE COc1nc(OC)c([C@H](NCCCN=[N+]=[N-])C(=O)O)s1 383391525 ZVCYOVNFOTWQGB-LURJTMIESA-N 301.328 1.576 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCCC[C@@H]3C[C@H](C)O)c2n1 2063654456 UCSMHGFCKSYQAJ-NWDGAFQWSA-N 318.377 1.509 10 10 DDCE CN(c1ccc(CO)c(Br)c1)[C@H]1CCC(=O)NC1 2063561252 HMMMYHQVMAVDQU-NSHDSACASA-N 313.195 1.656 10 10 DDCE Cc1nnc(CN(C)c2ccc(CN)c(Br)c2)n1C 2090795733 WEBWOYPYCBYMQP-UHFFFAOYSA-N 324.226 1.981 10 10 DDCE Cn1nccc(NCc2c(O)cccc2Br)c1=O 2220040736 WAGLTLGNINHMRO-UHFFFAOYSA-N 310.151 1.861 10 10 DDCE COc1nscc1S(=O)(=O)Nc1ccc(O)c(N)c1 2227841376 IBGZIFSDUJLPIZ-UHFFFAOYSA-N 301.349 1.240 10 10 DDCE CSc1ncc(CN=c2nc(CO)c(Cl)c[nH]2)s1 2256962821 CKKSVCPRWLVIDW-UHFFFAOYSA-N 302.812 1.835 10 10 DDCE CSc1ncc(CN=c2[nH]c3c(c(=N)[nH]2)CCCC3)s1 2284538512 PBEPISCPNQCZRN-UHFFFAOYSA-N 307.448 1.980 10 10 DDCE CS(=O)(=O)c1cscc1C(=O)NCC1(CN=[N+]=[N-])CC1 2288496846 MESXGECTXDSDOO-UHFFFAOYSA-N 314.392 1.972 10 10 DDCE O=C1NC(=S)SC1=Cc1ccc2c(c1[N+](=O)[O-])OCO2 2297708281 SJVJWFLOGIQWQJ-UHFFFAOYSA-N 310.312 1.812 10 10 DDCE CC(=O)N1CC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 175406590 VXNIGLDRPQCCLZ-AWEZNQCLSA-N 316.401 1.756 10 10 DDCE NC[C@H](N)c1cc(Cl)c(Br)c([N+](=O)[O-])c1O 309226392 DJKJTJLILNIUQP-YFKPBYRVSA-N 310.535 1.675 10 10 DDCE CCCNC(=O)Nc1cc(N2CCN(C=O)CC2)ccc1OC 62192170 LEGDVTDNGLACIB-UHFFFAOYSA-N 320.393 1.505 10 10 DDCE Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccc(O)c(F)c1 70330107 VFMMUAQDRGICQZ-UHFFFAOYSA-N 315.278 1.932 10 10 DDCE COc1ccc(O)c(CN2CCN(c3cc(C)[nH]n3)CC2)c1 189014147 VKYCFCBSBZKLQQ-UHFFFAOYSA-N 302.378 1.755 10 10 DDCE C[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)N1CCCCC1 40347201 JMQSROOBQWMFTG-ZDUSSCGKSA-N 311.451 1.563 10 10 DDCE COc1cc(Cl)c(N2CCO[C@H]([C@@H](C)O)C2)c(OC)c1 2368268189 ICCDWARKYIJGLE-RNCFNFMXSA-N 301.770 1.943 10 10 DDCE COC(=O)C[C@H](N)c1cc(I)ccc1O 95769527 FSVPDDROPBOPOF-QMMMGPOBSA-N 321.114 1.560 10 10 DDCE COc1c(O)c(C)c(O)c2c1C(=O)c1ccc(O)c(O)c1C2=O 90515981 ODOPMXBMMZFLCS-UHFFFAOYSA-N 316.265 1.601 10 10 DDCE C/C=C/[C@H](O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 900901990 QIBWZZJKXIJLAB-KZSQQDEKSA-N 322.380 1.340 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN(C)C1=O 907272188 FTFUDOLNUQMGGU-CMPLNLGQSA-N 306.362 1.013 10 10 DDCE c1cc2c(cc1CN[C@@H]1CNCC3(CCOCC3)C1)CCO2 903974540 QBHNKHZGWMCHIO-INIZCTEOSA-N 302.418 1.870 10 10 DDCE CN1CCN(C(=O)OC(C)(C)C)[C@H](c2ccc(N)cc2O)C1=O 1952981727 HDXYCCKQCSDJAX-CYBMUJFWSA-N 321.377 1.725 10 10 DDCE Cn1nc(CC(=O)NCc2ccccc2O)c2ccccc2c1=O 748353012 HSBMJZWMLWDLNV-UHFFFAOYSA-N 323.352 1.498 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)cc1 844858912 BSHVRHZNNRKPDM-DGCWBMGLSA-N 307.419 1.167 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](O)C1CCOCC1 746272447 NWQSJPYEGHYENE-INIZCTEOSA-N 306.406 1.465 10 10 DDCE CCOc1ccc(O)c(CN[C@H](C(=O)OC)c2ccnn2C)c1 843429554 FVEWHWAFMDFEAF-HNNXBMFYSA-N 319.361 1.528 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)C3(OC)CC3)C2)cc1 843607968 IMIIXXKNWSCXCJ-CYBMUJFWSA-N 304.390 1.817 10 10 DDCE C[C@@H](NC[C@]1(OCCO)CCOC1)c1ccc(N(C)C)cc1 850509637 SGNGVLHNIZQKGH-RHSMWYFYSA-N 308.422 1.571 10 10 DDCE CCC[C@@H](O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854300968 FJXLARQNLPNZPG-DZGCQCFKSA-N 321.421 1.734 10 10 DDCE Nc1ccc(CS(=O)(=O)NC/C=C/Br)cc1 1980884669 IWTYRAKSMVDFHE-LZCJLJQNSA-N 305.197 1.597 10 10 DDCE CO[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)[C@@H]1CCOC1 868759866 OZOBAAVQVCWABS-YWPYICTPSA-N 308.378 1.804 10 10 DDCE COc1cccc(CN[C@H]2CCN(C3CCOCC3)C2=O)c1O 776231112 LWVAGRSPYXOZDG-AWEZNQCLSA-N 320.389 1.270 10 10 DDCE COc1ccc(O)c(CNC(=O)NCc2cc(C(N)=O)co2)c1 779573480 DZJZZDJFKHUOTI-UHFFFAOYSA-N 319.317 1.092 10 10 DDCE Cc1cc(Br)c(O)c(CN[C@@H](C)CC(N)=O)c1 781918857 UPEVPOBRHABWPQ-QMMMGPOBSA-N 301.184 1.817 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)C2CCOCC2)cc1 1139529532 GOKUINSNJQNHGK-CYBMUJFWSA-N 320.349 1.366 10 10 DDCE Oc1cc2c(cc1CN1CCOC[C@H]1CC(F)F)[C@H](O)CO2 795729557 OREIESCTHSZACH-ZWNOBZJWSA-N 315.316 1.674 10 10 DDCE CC(C)(C)[C@H](NC(=O)c1cccc(O)c1O)c1nc(=O)o[nH]1 1162934768 GDHQRQNTINRGOS-SNVBAGLBSA-N 307.306 1.291 10 10 DDCE CCOCCN(CC)C(=O)C(=O)N1Cc2cccc(O)c2C1 1332002615 FNCQAOHFXLDGJU-UHFFFAOYSA-N 306.362 1.119 10 10 DDCE O=C(NCCN1Cc2ccccc2C1)c1c(F)ccc(O)c1O 1457589413 IETOVXUNAXOJKA-UHFFFAOYSA-N 316.332 1.983 10 10 DDCE CC(=O)C(=O)[C@]1(O)[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]1[C@H]3C2 1919161064 WYCIJESHVGVNNO-VZTWBHMWSA-N 309.362 1.151 10 10 DDCE CCCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](C)C(=O)OCC 1626377685 CEWYIBUDKHMREE-NSHDSACASA-N 309.362 1.831 10 10 DDCE C[C@@](CO)(NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1631581195 CQOMAKVXMXDAOQ-KRWDZBQOSA-N 301.342 1.664 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCCN1CCCCC1=O 1565663150 POLCADVNKCYLHA-UHFFFAOYSA-N 306.362 1.159 10 10 DDCE CSc1ncc(C(=O)NCc2ccc(O)c(O)c2)c(O)n1 1635959265 HEURTTAVEDKXHX-UHFFFAOYSA-N 307.331 1.245 10 10 DDCE C[C@H](NC(=O)N[C@H](CO)[C@H]1CCOC1)c1ccc(N(C)C)cc1 1681551803 IWFMIQIHEZAJDS-DUVNUKRYSA-N 321.421 1.510 10 10 DDCE Cc1cc(C)c(NC(=O)C[C@@H]2C(=O)NN(C)C2=O)c(Cl)c1 169996080 YHTHOTINZURIPK-SECBINFHSA-N 309.753 1.405 10 10 DDCE CN1CC[C@@H](CNCc2ccc(Br)cc2O)C1=O 1967742154 DOLFIUHYFBTHTA-JTQLQIEISA-N 313.195 1.723 10 10 DDCE CC(C)(C)OC(=O)N1CC(ONCc2cccc(O)c2O)C1 1975279675 PSVGJCHNFVCQJU-UHFFFAOYSA-N 310.350 1.738 10 10 DDCE Cn1cc(NC(=O)OC(C)(C)C)c(C(=O)N2CC(N=[N+]=[N-])C2)n1 1985094694 SHKOGYYJMNWJLY-UHFFFAOYSA-N 321.341 1.902 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](O)CN[C@H]1CCc2cccc(O)c21 1985781564 ZVNPDJTUHYHFEF-OLZOCXBDSA-N 322.405 1.855 10 10 DDCE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCc1ccccc1O 1986343549 WNBSETQSQDUSNB-CYBMUJFWSA-N 324.377 1.284 10 10 DDCE CC(C)CNCc1cnc(Sc2nnc3nc[nH]n23)s1 2155328399 JUEPPIHDEAGFOF-UHFFFAOYSA-N 309.424 1.806 10 10 DDCE [N-]=[N+]=N[C@H]1CCCN(C(=O)CS[C@@H]2CCS(=O)(=O)C2)C1 701317722 WIDMNRVXNPPRCB-VHSXEESVSA-N 318.424 1.208 10 10 DDCE CC[C@H]1CN([C@@H](CC)C(=O)Nc2ccc(O)c(O)c2)CCO1 2063377130 UKWXRPWTGRPMEP-STQMWFEESA-N 308.378 1.926 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H]([C@@H]4CCOC4)C3)c2n1 2063548975 RLWUNNBPCJYRBZ-NWDGAFQWSA-N 316.361 1.242 10 10 DDCE CC(C)(O)[C@@H]1CN(c2cc(Cl)c(CN)cc2F)CCO1 2177387680 HRRPNWYSDDNTLR-ZDUSSCGKSA-N 302.777 1.914 10 10 DDCE NC(=O)c1ccsc1NS(=O)(=O)Cc1ccc(N)cc1 2191774349 OSTWBMSDLGFCSK-UHFFFAOYSA-N 311.388 1.371 10 10 DDCE O=C1NCC[C@@H]1CCNCc1cccc(Br)c1O 2075989016 FVSJBEPMZCCDPA-VIFPVBQESA-N 313.195 1.771 10 10 DDCE Nc1ccc(NC(=O)CN2CCCC[C@H]2C2OCCO2)cc1 2089566781 COQWDJGIJXLSRG-AWEZNQCLSA-N 305.378 1.435 10 10 DDCE OCc1ccc(N2C[C@@H](F)C[C@@H](O)C2)cc1Br 2213884413 MYYWCODWOBLNQH-GXSJLCMTSA-N 304.159 1.851 10 10 DDCE COCC(COC)ONCc1c(O)cccc1Br 2256197567 RPCBIKQFVKYLIS-UHFFFAOYSA-N 320.183 1.837 10 10 DDCE CSc1ncc(CNC(=O)N(C)C2CC(C(=O)O)C2)s1 2284505492 WASILRKBYUFSAD-UHFFFAOYSA-N 315.420 1.870 10 10 DDCE COc1cc(OC)c(N2CCC[C@H]2[C@@H](O)CO)cc1Cl 2285870368 OJTRYTYTVNNERJ-JQWIXIFHSA-N 301.770 1.679 10 10 DDCE NC(=O)[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cncc(O)c2)C1 492471172 HTPRRODHMMOUHL-VBROQKIQSA-N 323.352 1.491 10 10 DDCE Cc1nn(C)c(C)c1CNC(=O)C=Cc1ccc(O)c(O)c1 2308001705 HWJCJUOGHVEFNL-UHFFFAOYSA-N 301.346 1.778 10 10 DDCE CC(=O)N1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 176270176 ULUFEFWSZQUMCF-INIZCTEOSA-N 315.417 1.554 10 10 DDCE COc1ccc(N2CCC(NC(=O)N3CC(CO)C3)CC2)cc1 188321204 QVRWDPFRDGEEEP-UHFFFAOYSA-N 319.405 1.298 10 10 DDCE N[C@H](CO)c1cc(Br)c(Cl)c([N+](=O)[O-])c1O 72199853 LJVMTJAFLMSSQA-RXMQYKEDSA-N 311.519 1.708 10 10 DDCE CCN(C)C(=O)CN[C@H](C)c1ccc(N2CCC(O)CC2)cc1 186815969 RSPNXZBJDOQYJU-CQSZACIVSA-N 319.449 1.777 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H]1c1ccc(O)c(O)c1O 1952365634 SKZFVBWSJSTESK-MWLCHTKSSA-N 310.350 1.813 10 10 DDCE C[C@H]1CCC[C@@](O)(CNS(=O)(=O)Cc2ccc(N)cc2)C1 87045423 GNMRFVIECIRAMG-WFASDCNBSA-N 312.435 1.629 10 10 DDCE O=S1(=O)CCC[C@@](O)(CNCc2cc(Cl)ccc2O)C1 2368426845 SBEWSZJBEYVQDK-CYBMUJFWSA-N 319.810 1.075 10 10 DDCE CCn1cnc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c1 92889983 MOMFVTDRIJLJPL-UHFFFAOYSA-N 311.319 1.108 10 10 DDCE CCN(CCO)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 92775326 CHKQOQJUAKJDOD-LLVKDONJSA-N 314.183 1.220 10 10 DDCE Cc1ccc(Br)c([C@H](N)CS(C)(=O)=O)c1O 95780833 WWWVUPAYNZEQRC-MRVPVSSYSA-N 308.197 1.508 10 10 DDCE COC[C@@H](C)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255554019 CVGJVSLCGPMDTQ-KKTNHOPESA-N 318.417 1.935 10 10 DDCE C[C@@H](O)C[C@@H]1COCCN1Cc1ccc(N2CCOCC2)cc1 809768947 ZDSYOFKKJTYJNA-CRAIPNDOSA-N 320.433 1.495 10 10 DDCE CN1C[C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)[C@@H]2C1 814173114 GGXAZBPYYUZVSC-FUHWJXTLSA-N 301.434 1.659 10 10 DDCE COc1ccc(CNC(=O)NC[C@H](CC(C)C)C(=O)O)c(O)c1 818628514 WVDPFGOUNQTVMX-LBPRGKRZSA-N 324.377 1.947 10 10 DDCE CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1cc[nH]n1 733997078 KBLMARCZGOUHJF-UHFFFAOYSA-N 315.421 1.566 10 10 DDCE CCON(C)C(=O)CNC(=O)NCc1cc(Cl)ccc1O 845556158 NTBPXZFITXHQCZ-UHFFFAOYSA-N 315.757 1.255 10 10 DDCE Cc1cc(CS(=O)(=O)NCc2c(O)cccc2F)no1 921452278 KBBXRLQTWIMBMP-UHFFFAOYSA-N 300.311 1.447 10 10 DDCE CO[C@H](CNC(=O)NCc1cc(C)ccc1O)[C@H]1CCOC1 858599318 KIPPHEDCEOFQTF-SWLSCSKDSA-N 308.378 1.551 10 10 DDCE O=C(O)[C@]12COC[C@H]1CN(Cc1cc(Cl)c(F)cc1O)C2 854242129 BEHBOSLIRUIQRL-YMTOWFKASA-N 315.728 1.718 10 10 DDCE O=C1CC[C@@H]2CN(Cc3cc4c(cc3O)CCC4)CC[C@@H]2N1 853556007 UXZIVBUGBFGDSA-ZBFHGGJFSA-N 300.402 1.981 10 10 DDCE COC(=O)C[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855233594 IUNXNHGNWFDBHQ-QWHCGFSZSA-N 320.389 1.589 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)c1 869410540 LKRGKGZVJSHHQF-NEPJUHHUSA-N 319.279 1.663 10 10 DDCE NCCCOCCNC(=O)NCc1ccc(N2CCCC2)cc1 861557163 LKIHASKUFMRVMR-UHFFFAOYSA-N 320.437 1.451 10 10 DDCE CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCN(C2CC2)C1 779516724 HAWSGNJBMQMEHK-UFZAZABTSA-N 302.374 1.806 10 10 DDCE COc1cccc(O)c1CNCCONC(=O)OC(C)(C)C 1958762759 CXDRFNFVSWLWKL-UHFFFAOYSA-N 312.366 1.947 10 10 DDCE COc1cc(C)cc(CN2C[C@H](C)N(CCO)C[C@H]2C)c1O 895024793 NGPHUYQKMGJLRR-UONOGXRCSA-N 308.422 1.596 10 10 DDCE CN(C)c1nccc2c1N(C(=O)/C=C/c1cnccn1)CCC2 894153453 JAWVAOIWVOHZDJ-AATRIKPKSA-N 309.373 1.930 10 10 DDCE CN(CCCO)C(=O)NCc1ccc(N2CCSCC2)cc1 799550667 UNIIBYNCGILNQN-UHFFFAOYSA-N 323.462 1.764 10 10 DDCE CN(C[C@@H]1CCCS1(=O)=O)c1ccc(CN)c(F)c1F 694093662 GIEMIKUDEDQFNQ-JTQLQIEISA-N 304.362 1.437 10 10 DDCE CCCCOc1ccc(/C=C2/C(=O)NC(=O)N(C)C2=O)cc1 1084440918 LTASKTWJABSIFN-RAXLEYEMSA-N 302.330 1.957 10 10 DDCE CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccc(O)c(O)c1O 1535970127 OAHQMEHPMBBSOJ-JTQLQIEISA-N 310.350 1.685 10 10 DDCE NC(=O)c1nc2cc(NC(=O)c3cc(O)cs3)ccc2o1 1634091114 YCUQZMRYDSRNTQ-UHFFFAOYSA-N 303.299 1.946 10 10 DDCE COc1cccc2c(C(=O)NCc3ccc(O)cc3O)n[nH]c12 1639444560 PMFCUWLUTZTAMU-UHFFFAOYSA-N 313.313 1.913 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)Cn2cccn2)cc1C 1669505969 HJCOOSHKYYBBGQ-AWEZNQCLSA-N 316.405 1.495 10 10 DDCE C[C@H](O)CNC[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1667063774 POJKOYKAXAFXCE-QWRGUYRKSA-N 321.381 1.280 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043435 SSIKINQDWBCHFZ-KKOKHZNYSA-N 310.394 1.413 10 10 DDCE O=C(NC[C@H](O)c1ccc(Cl)cc1)c1cc(O)c(O)c(O)c1 1865876188 WDTJJJWCYRRGMG-ZDUSSCGKSA-N 323.732 1.920 10 10 DDCE CS(=O)(=O)C[C@@H]1CCN(c2c(F)cc(CO)cc2F)C1 2143671902 LNGGIJHPGAFCAF-SECBINFHSA-N 305.346 1.328 10 10 DDCE CC(C)(C)OC(=O)NCC1CN(C[C@@H](N)c2ccccc2O)C1 1980570322 PEDHMYMIDWLRJR-CQSZACIVSA-N 321.421 1.849 10 10 DDCE CC(C)(C)OC(=O)N1CC(ONC(=O)Cc2ccc(N)cc2)C1 1984436260 SKRRCGDACKCDCZ-UHFFFAOYSA-N 321.377 1.478 10 10 DDCE C[C@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)C[C@@H]1F 2152807750 UDTIJEHKKSMLLT-GWCFXTLKSA-N 302.371 1.267 10 10 DDCE COc1cc(Cl)cc(CNC[C@@H]2C[C@@H](O)CCO2)c1O 2154225788 FUWLNOLTHTUVQW-RYUDHWBXSA-N 301.770 1.684 10 10 DDCE CCCN(CCS(C)(=O)=O)Cc1cccc(OC)c1O 2170129059 DCCRTGHPWDTIQM-UHFFFAOYSA-N 301.408 1.657 10 10 DDCE C[C@H](N)c1ccc(N2CCS(=O)(=O)C(C)(C)C2)c(F)c1 2170277633 HGZPTYQHFLKYFY-JTQLQIEISA-N 300.399 1.859 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCC3(C4(O)CCC4)CC3)c2n1 2063901903 ONFWWWXCXVWTDW-UHFFFAOYSA-N 316.361 1.168 10 10 DDCE NCc1cc(F)c(N2[C@H](CO)C[C@@H]3OCC[C@@H]32)cc1Cl 2177380113 BZFXBULXJUGGDJ-WFBYXXMGSA-N 300.761 1.666 10 10 DDCE COc1ccc(Br)c(CN[C@H]2CNC(=O)C2)c1O 2220448155 HPVWBEDLUFEBNK-SSDOTTSWSA-N 315.167 1.141 10 10 DDCE COc1ncc(S(=O)(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])s1 2225797345 FGXZWFBTSTXNCT-RQJHMYQMSA-N 303.369 1.661 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)C1CC2(C1)OCCO2 2252830901 SFUPUXDJQAVDKE-UHFFFAOYSA-N 319.766 1.693 10 10 DDCE CSc1ncc(CNC(=O)c2nn(C)cc2S)s1 2257117788 OUNASGSCCLYMCK-UHFFFAOYSA-N 300.434 1.817 10 10 DDCE COc1ccc(Br)c(CN[C@@H]2COC(=O)C2)c1O 2264173694 ODGCREWNVXUJPA-ZETCQYMHSA-N 316.151 1.568 10 10 DDCE CSc1ncc(Cn2cncc2[C@@]2(C)COCCN2)s1 2284713701 RAWKTHCOOUPIRR-CYBMUJFWSA-N 310.448 1.945 10 10 DDCE CCOC(=O)CS(=O)(=O)CCCOc1ccc(N)cc1 36337253 PPDDDYVBGCVTRN-UHFFFAOYSA-N 301.364 1.016 10 10 DDCE O=C(O)[C@@]1(Sc2nccs2)CN[C@@]2(CCCOC2)C1 2351989327 HKBPYMGOIFRXAU-RYUDHWBXSA-N 300.405 1.601 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCN(C[C@@H](C)O)[C@H](C)C2)c1O 175646053 JMAIBVSSYIMEQC-VXGBXAGGSA-N 324.396 1.621 10 10 DDCE C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)c1ccsc1 61366162 STYDDMVLLWREKR-SKDRFNHKSA-N 306.387 1.907 10 10 DDCE COC(=O)/C=C/c1ccc(N(CCO)C(C)C)c([N+](=O)[O-])c1 176268944 LPJCPLQKVCRGPR-FNORWQNLSA-N 308.334 1.988 10 10 DDCE COCCNC(=O)Cn1cc(N[C@H](C)c2ccccc2O)cn1 183711828 HUMDRDSQDVIEGB-GFCCVEGCSA-N 318.377 1.524 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)CC(C)(C)O)c([N+](=O)[O-])c1 210161179 VKZJVJATDRTBRZ-VURMDHGXSA-N 308.334 1.988 10 10 DDCE Cc1n[nH]c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 31794232 IUNUXSIVCIIKFX-UHFFFAOYSA-N 319.434 1.930 10 10 DDCE Cc1cc(I)c(O)c([C@@H]2CNCCN2)c1 238545918 TUQMWDWCPMEZPT-JTQLQIEISA-N 318.158 1.539 10 10 DDCE C[C@H](NC[C@@]1(CO)COCC2(CCC2)N1C)c1ccccc1O 527944655 AXWDFBRPQMGBBT-KBXCAEBGSA-N 320.433 1.659 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCN3CCOC[C@@H]3C2)c1O 368827060 URHOWSNIQSMSMU-AWEZNQCLSA-N 308.353 1.250 10 10 DDCE NS(=O)(=O)C[C@@H]1CCCN1Cc1cc(Cl)c(F)cc1O 816511961 RCSQLTQLWSJLBS-VIFPVBQESA-N 322.789 1.438 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1895032304 YJMHPXVFNGGEIG-CYDGBPFRSA-N 324.421 1.803 10 10 DDCE COc1cccc(CNC(=O)/C=C(/C)CN2CCOCC2)c1O 901126165 AOHKZYDIRJZYHU-RAXLEYEMSA-N 320.389 1.296 10 10 DDCE CN(C)c1ccc(/C=C/CN2CC[C@H](NS(C)(=O)=O)C2)cc1 835026898 YJPOXSTYJXVJMA-RGDDUWESSA-N 323.462 1.389 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=O)CC[C@@H](C)N)C2)cc1 831748631 IKLHKVXZSUSXOG-KGLIPLIRSA-N 305.422 1.765 10 10 DDCE O=C(NCc1cccc(Br)c1O)[C@@H](O)C1CCC1 831158299 FIQUISJTQFKWFW-LBPRGKRZSA-N 314.179 1.932 10 10 DDCE COCCNC1CCN(Cc2cc3c(cc2O)OCO3)CC1 844901828 ZLQWSAZUVWHBTI-UHFFFAOYSA-N 308.378 1.321 10 10 DDCE COc1ccc(N2CC[C@H](N3C(=O)[C@H](C)NC3=S)C2)cc1 849170741 ONESTCOFLDUUPS-JQWIXIFHSA-N 305.403 1.379 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC(=O)N(C)C1 841591096 TXCLGYTUPTZXNP-CYBMUJFWSA-N 318.421 1.433 10 10 DDCE O=C(NCc1ccccc1O)NC[C@@H]1CN(C2CC2)C(=O)O1 847302078 JAGNVCXSIDIDIU-GFCCVEGCSA-N 305.334 1.175 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](c2ccc(O)c(O)c2O)[C@H](CN)C1 687812235 OMYSPYAUFPFTIX-KOLCDFICSA-N 324.377 1.713 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cc(C(N)=O)ccc1O 687809938 NSCPSULZLSTRBG-SNVBAGLBSA-N 324.333 1.532 10 10 DDCE CCCN1C[C@H](CNC(=O)NCc2c(O)cccc2F)CC1=O 922930532 JDJWQRHEUUUILK-NSHDSACASA-N 323.368 1.589 10 10 DDCE CCn1nc(C)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 753636241 LFXXKPJGZWSBPC-SNVBAGLBSA-N 303.362 1.984 10 10 DDCE COc1ccc(N(CCSC)CC(=O)O)c([N+](=O)[O-])c1 696884289 HFDMMEUIMMVJEG-UHFFFAOYSA-N 300.336 1.857 10 10 DDCE CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H](C)O 854297795 RFZHYHZRWKNGPG-XEZPLFJOSA-N 321.421 1.733 10 10 DDCE COc1ccc(N2CCN(C[C@H]3CCC4(CNC4)O3)CC2)cc1 852746655 PCOHAHPSUULFEV-QGZVFWFLSA-N 317.433 1.338 10 10 DDCE C[C@@H]1CCn2cc(C(=O)NCc3ccc(O)c(O)c3)nc2C1 866769641 NPLNOWHDTYIRCA-SNVBAGLBSA-N 301.346 1.807 10 10 DDCE O=C1C[C@H](C(=O)N2Cc3cccc(O)c3C2)[C@@H]2CCCC[C@H]2N1 871204048 BHAUCFJOZBDZNL-KCQAQPDRSA-N 314.385 1.929 10 10 DDCE CN(C(=O)c1c(Br)nnn1C)c1ccc(N)cc1 386708439 TVZLKTCGEWRHTC-UHFFFAOYSA-N 310.155 1.436 10 10 DDCE CCn1cnc(S(=O)(=O)NCc2ccc(OC)cc2O)c1 795359101 XNJBHFBZEHKBKB-UHFFFAOYSA-N 311.363 1.096 10 10 DDCE COc1cc(S(=O)(=O)N2CCC[C@H](N=[N+]=[N-])C2)sn1 717761172 TYZSUSSUJVMPCE-ZETCQYMHSA-N 303.369 1.615 10 10 DDCE CON(C)C(=O)CCN(C)Cc1ccc(N2CCOCC2)cc1 799106332 CRBBCJCDASWCSK-UHFFFAOYSA-N 321.421 1.365 10 10 DDCE NC(=O)N1CC(NCc2ccc(Br)cc2O)C1 1917791321 IVPHVTVFWMUOJL-UHFFFAOYSA-N 300.156 1.007 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1nnc(O)c2ccccc12 1303223276 IIECKIRSZHISKA-UHFFFAOYSA-N 311.297 1.677 10 10 DDCE CN1CCN(c2ccc(CN3C[C@H](N)C(C)(C)C3)cc2F)CC1 1334055716 OTOSJVPMUXTQJC-KRWDZBQOSA-N 320.456 1.747 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@H](CC(=O)O)C(=O)O)cc1 1350667637 KROCUBXTFRBVDS-OOPCZODUSA-N 306.362 1.531 10 10 DDCE COc1cccc(CNC(=O)c2ccc3nc(O)[nH]c3n2)c1O 1445971080 RSNAWNBKGBSRFJ-UHFFFAOYSA-N 314.301 1.308 10 10 DDCE CCOC(=O)c1cc(NCc2c(O)cccc2O)nc(C)n1 1458637565 FQCFBPVMTCXAMH-UHFFFAOYSA-N 303.318 1.985 10 10 DDCE C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)CC[S@]1=O 1611144322 HAQGZXFDKLMMMM-ZPWHCFADSA-N 301.339 1.220 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2C[C@H](O)CC(F)(F)C2)cc1 1625539207 KAXWVVJADASNJY-SNVBAGLBSA-N 312.276 1.691 10 10 DDCE CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(C)=O 1759339591 HVEJLDVPWJNZFU-NSHDSACASA-N 305.338 1.494 10 10 DDCE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nn1cnnc1 13575927 WALBJLMFDKKBNP-SDQBBNPISA-N 302.725 1.782 10 10 DDCE Oc1cc(Br)ccc1CNC[C@@]1(O)CCCOC1 1971053158 HYGKHSZROJSZSH-ZDUSSCGKSA-N 316.195 1.786 10 10 DDCE OCCC[C@@H](CO)NCc1cc(Br)cc(F)c1O 2029922317 CDFCFZSUEXNYDQ-JTQLQIEISA-N 322.174 1.517 10 10 DDCE CCCN1C(=O)C(=CNc2ccc(C)cc2)C(=O)NC1=S 2040476244 XCDDRTYOWWMTSN-UHFFFAOYSA-N 303.387 1.944 10 10 DDCE Oc1c(Br)cccc1CNC1(c2nn[nH]n2)CC1 2033667580 IQNMGPRRLGENPT-UHFFFAOYSA-N 310.155 1.447 10 10 DDCE C[C@H]1CN(S(=O)(=O)Nc2ccc(O)c(Cl)c2)C[C@@H](C)N1 2161235845 GQXQLTFVFLOLNA-DTORHVGOSA-N 319.814 1.385 10 10 DDCE CO[C@@H]1C[C@H](NC(=O)c2cnn3c(O)cc(C)nc23)C12CCC2 2062547766 RUKPVWBXTRJQOK-NWDGAFQWSA-N 316.361 1.431 10 10 DDCE COC(=O)c1c(C2CCC2)nn2c(O)cc(CC(=O)O)nc12 2080934043 BLAAGLNWGKWCLM-UHFFFAOYSA-N 305.290 1.116 10 10 DDCE Oc1ccc(Br)cc1CNCC1COCCOC1 2067778351 JMHLGOFFOALOEZ-UHFFFAOYSA-N 316.195 1.907 10 10 DDCE N=c1[nH]c(=NCCc2ccc(N)cc2)[nH]cc1Br 2080404211 RZAKKGQJJSQMRQ-UHFFFAOYSA-N 308.183 1.310 10 10 DDCE Cn1nnc2c1CCN(c1ccc(CO)c(Br)c1)C2 2114029271 PKWHZKFNFUDMGN-UHFFFAOYSA-N 323.194 1.633 10 10 DDCE C[C@@H](NCC1CN(S(C)(=O)=O)C1)c1ccc(F)cc1O 187836156 ORYBPCSSZWIVIB-SECBINFHSA-N 302.371 1.073 10 10 DDCE Cc1cc(N(C)CCS(=O)(=O)N(C)C)ccc1[C@@H](C)O 2285164502 CJRGQVNRAJKGPY-GFCCVEGCSA-N 300.424 1.376 10 10 DDCE CC[C@@](C)(NC(=O)NCc1cnc(SC)s1)C(=O)O 2269095714 ZATQEKIHYUUVDN-LLVKDONJSA-N 303.409 1.918 10 10 DDCE O=C1NC(=S)SC1=C1C(=O)Nc2ccc([N+](=O)[O-])cc21 2294630876 UUACEKRNTYQTRR-UHFFFAOYSA-N 307.312 1.406 10 10 DDCE COC(=O)C1=C(C)N(C)C(=O)C1=Cc1ccc(C(=O)OC)cc1 2296656499 XNDVGPXHKRSOSK-UHFFFAOYSA-N 315.325 1.776 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@H]1CCNC1 2301603340 RFYHNQXEARNLEG-HNNXBMFYSA-N 301.390 1.015 10 10 DDCE C[C@@H](N)CCNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2301651104 NRQQPASPWHQWRU-CQSZACIVSA-N 303.406 1.390 10 10 DDCE Cc1ccc(CN(C)[C@@H]2CNC[C@@H]2O)c(O)c1Br 2327801495 SEWWIIXZENDCGR-MNOVXSKESA-N 315.211 1.228 10 10 DDCE CN1CCCc2cc([C@H](NCC(F)(F)F)C(N)=O)ccc21 50287680 XSTOBBMMCZCUNC-LBPRGKRZSA-N 301.312 1.747 10 10 DDCE O=C(Cn1ccnn1)NCc1ccc(N2CCSCC2)cc1 176546434 KPMIHKNEBWDZRY-UHFFFAOYSA-N 317.418 1.148 10 10 DDCE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)c2cnon2)cc1C 1275517592 XVMDJPMCYRYJCV-RYUDHWBXSA-N 318.377 1.683 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CC[C@@H]3CNC[C@H]3O2)s1 2359861413 QTJBGWMXJPCQRQ-FBIMIBRVSA-N 313.448 1.248 10 10 DDCE C[C@@H](CO)N(Cc1ccc(N2CCOCC2)cc1)C[C@@H](C)O 191218577 QVEIPZFKFLHFAJ-LSDHHAIUSA-N 308.422 1.087 10 10 DDCE C[C@H](CO)[C@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 273949642 FHWPXLFPKDQAJI-KGLIPLIRSA-N 307.438 1.318 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NCc1cnn(C)n1 807571608 ZHIGKMWFNIHGMZ-UHFFFAOYSA-N 303.366 1.643 10 10 DDCE COc1ccc(C(=O)OCC(=O)C(C)=O)cc1Br 808497529 SIAVHTPEHDGCNZ-UHFFFAOYSA-N 315.119 1.773 10 10 DDCE CCC/C=C\[C@H](O)C(=O)NCc1ccc(N2CCOCC2)cc1 900337109 BAEALZHOGCIHED-CHYADLBTSA-N 318.417 1.857 10 10 DDCE Oc1cc2c(cc1CN1CC[C@@H]([C@@H](O)C(F)(F)F)C1)OCO2 825123815 CQHKJJDZKGNQDG-AMIZOPFISA-N 319.279 1.866 10 10 DDCE COC(=O)[C@]12C[C@H](N)C[C@H]1CN(Cc1c(O)cccc1OC)C2 903979091 VHNBGZQZUSDRAM-JKDFXYPNSA-N 320.389 1.113 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCNC[C@@](C)(F)C2)cc1 841654823 PWGKVQSQNMJBLN-MRXNPFEDSA-N 308.401 1.596 10 10 DDCE COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Cc1ccc(N)cc1 843492121 POPLZBCCZJGFLN-INWMFGNUSA-N 302.374 1.611 10 10 DDCE NCC12CC(CN1C(=O)NCCCSc1nccs1)C2 851657835 NZQYLVBCCJUOBG-UHFFFAOYSA-N 312.464 1.758 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)c1 858469091 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CNC[C@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 1333531793 FVNGQQMYZBNAMZ-UONOGXRCSA-N 320.437 1.429 10 10 DDCE CCNC(=O)CC(=O)N(C)CCNCc1ccc(OC)c(C)c1 1267363922 NRSSZBKJHAQJAF-UHFFFAOYSA-N 321.421 1.078 10 10 DDCE CC(C)N1CCC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1292274897 MRRMCILJDKSLSE-AWEZNQCLSA-N 306.406 1.877 10 10 DDCE CN1C(=O)COc2cccc(NC(=O)c3cccc(O)c3O)c21 1455177912 NKNDJPMGWUNHBZ-UHFFFAOYSA-N 314.297 1.705 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 1610066533 RTRWCMHGHGWOTE-IUIKQTSFSA-N 303.358 1.714 10 10 DDCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC(N)=O)cc1 1625155901 DTUOMZHGEHODFK-UHFFFAOYSA-N 313.357 1.051 10 10 DDCE COc1ccc(CNC[C@H](C)N(C)C(=O)CCN(C)C)cc1C 1568297668 ZTVVWWCJOVEZML-HNNXBMFYSA-N 321.465 1.892 10 10 DDCE CCCN(C)C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1566116334 QIAIVKUYIUNRNA-CQSZACIVSA-N 306.406 1.831 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)CN(C)C(C)=O)cc1C 1568982396 WXSGTHAKKMYGNP-CYBMUJFWSA-N 321.421 1.076 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccn3nccc3n2)c1 1595806241 DOYNBPXLMLASGK-SNVBAGLBSA-N 312.329 1.935 10 10 DDCE NCc1ccc(N2CC[C@H](O)[C@H](F)C2)c(Br)c1 1941016248 LJCDVYPYIDONGZ-PWSUYJOCSA-N 303.175 1.817 10 10 DDCE C[C@@H](CC(N)=O)N(C)Cc1cccc(Br)c1O 1946073559 LGRQOISRHAGYRI-QMMMGPOBSA-N 301.184 1.850 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1Cl 2145074105 RGXDYLFJGCQSLE-ISTVAULSSA-N 314.838 1.983 10 10 DDCE CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)CC)cc1 70263347 IKXQEZIKLWSHOK-UHFFFAOYSA-N 306.409 1.600 10 10 DDCE CSCCCN(C)S(=O)(=O)CCOc1ccc(N)cc1 312247266 UCOURISJHGKFES-UHFFFAOYSA-N 318.464 1.662 10 10 DDCE CNCc1ccc(OC)c(CS(=O)(=O)CCCOC)c1 81986240 MFRONODQLKTQIH-UHFFFAOYSA-N 301.408 1.366 10 10 DDCE CC[C@@]1(CO)COCCN1c1cc(Cl)c(CN)cc1F 2177393173 NXDPRTOVRNAGCK-CQSZACIVSA-N 302.777 1.916 10 10 DDCE COC(=O)[C@@H](NCCCN=[N+]=[N-])c1c(C)nn(C)c1Cl 2175339735 WNWTYPYPGAGYGW-VIFPVBQESA-N 300.750 1.886 10 10 DDCE CN(C(=O)CN1CCC[C@H]1C1OCCO1)c1ccc(N)cc1 2089609574 QHKKNCSWWQZEKG-AWEZNQCLSA-N 305.378 1.069 10 10 DDCE O=S1(=O)C[C@H]2CCN(c3ccc(CO)cc3Cl)[C@H]2C1 2094927212 NFIIPOUBCGTFJN-MFKMUULPSA-N 301.795 1.456 10 10 DDCE CN(C(=O)OC(C)(C)C)[C@H](COc1nnc(=N)[nH]n1)CC1CC1 2210719367 ZXCQSJCHBOQRRN-JTQLQIEISA-N 324.385 1.094 10 10 DDCE CSc1ncc(CNC(=O)[C@@H](N)Cc2cncs2)s1 2269193900 PNIAGWSCMMKMNA-VIFPVBQESA-N 314.461 1.508 10 10 DDCE CSc1ncc(CNC(=O)[C@H](N)[C@H]2CC[C@@H](C)O2)s1 2269261664 JDSAQTCHUKYYGI-SZEHBUNVSA-N 301.437 1.376 10 10 DDCE COc1cc(OC)c(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1Cl 2285876418 YZMABTFAQRPOHI-KWBADKCTSA-N 305.733 1.237 10 10 DDCE COc1ccc(N(CC(=O)NC(N)=O)Cc2cccs2)cc1 57644512 AIBHJLYWEYGMPW-UHFFFAOYSA-N 319.386 1.958 10 10 DDCE CCCN1CCN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)CC1 118704918 LEQGXIFWFZCKRV-AWEZNQCLSA-N 308.813 1.824 10 10 DDCE CC(=O)N1CC[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 176268043 WBOYDMVDBHDISW-ZDUSSCGKSA-N 307.369 1.376 10 10 DDCE COc1cc(/C=C2/SC(=S)N(N)C2=O)cc(OC)c1O 210388851 CATGPDBAPOQRNR-WEVVVXLNSA-N 312.372 1.484 10 10 DDCE CCc1nc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)c[nH]1 70418846 TYTWHXHAFKEUIN-UHFFFAOYSA-N 311.319 1.177 10 10 DDCE COc1cc(Cl)c(N2CCOC[C@@H](CO)C2)c(OC)c1 2368122080 XRIUFURZEUXXJB-SNVBAGLBSA-N 301.770 1.802 10 10 DDCE COCCCCS(=O)(=O)Nc1ccc(O)cc1C(=O)O 274934701 PPWMDLUMINSOQQ-UHFFFAOYSA-N 303.336 1.259 10 10 DDCE COc1cc2cc(C(=O)OCC(=O)C(C)=O)[nH]c2cc1OC 808519487 VQYTUIJPCBIWNR-UHFFFAOYSA-N 305.286 1.500 10 10 DDCE CC(=O)C(=O)COC(=O)c1c(F)cccc1NC(=O)C(C)C 808517553 FVNQKVXFYAYDLV-UHFFFAOYSA-N 309.293 1.735 10 10 DDCE O=C1N[C@@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)CO1 827081405 IQKXVVZUHCZAQB-CYBMUJFWSA-N 316.313 1.622 10 10 DDCE NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)/C=C/c1ccc(O)c(O)c1 832830277 BLXIEEXGOUMMSO-YOLAGPMJSA-N 316.357 1.223 10 10 DDCE CN(C)c1ccc(CNC(=O)NCC[C@@H](O)C(F)(F)F)cc1 734512719 WXPPUKHOROCZST-GFCCVEGCSA-N 319.327 1.865 10 10 DDCE Cc1cc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)nc(C)n1 832278904 GBHLKKLHTCMRRI-HNNXBMFYSA-N 313.405 1.589 10 10 DDCE C[C@@H](NC[C@@H]1CCCCN1CCO)c1cc([N+](=O)[O-])ccc1O 834850627 OFESADSFHVQBOX-OCCSQVGLSA-N 323.393 1.798 10 10 DDCE CN1CCN(C(=O)OC(C)(C)C)[C@@H](Cc2ccc(N)cc2)C1=O 1952758134 XAFYYSLJWNLAPR-AWEZNQCLSA-N 319.405 1.889 10 10 DDCE COC(=O)c1cnc(SC[C@@H]2CCC3(COC3)O2)s1 917779100 YHRRTOMIUMDFFJ-QMMMGPOBSA-N 301.389 1.970 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@@H](C3CCC3)C1)[C@@H](O)CO2 840174510 BKOTXAAPLFPIAM-DOTOQJQBSA-N 305.374 1.819 10 10 DDCE CN1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(N=NC(N)=O)cc1 913532686 QXWOOFUVWHBKJB-BETUJISGSA-N 301.350 1.768 10 10 DDCE C[C@@H](NC[C@@H]1CC2(CCNCC2)C(=O)O1)c1cc(F)ccc1O 925859193 WDUDUKKRLXSQTG-YPMHNXCESA-N 322.380 1.867 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H](O)C3)C2)cc1 854299553 PGACXISWFXUEHY-ZFWWWQNUSA-N 319.405 1.440 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C[C@H](N)C3CC3)C2)cc1 852844159 REHZBWJHPMKJRZ-BBRMVZONSA-N 303.406 1.518 10 10 DDCE O=C(COC1CCOCC1)NCc1ccc2cccnc2c1O 862028114 QEYVTZOTTVANFL-UHFFFAOYSA-N 316.357 1.752 10 10 DDCE Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC23CCOCC3)cc1 868300919 SNTNAVFDDYHXTA-LBPRGKRZSA-N 317.389 1.530 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1116996373 HRTMEJYMUKWPMW-OFQRWUPVSA-N 315.417 1.674 10 10 DDCE COCc1cc(NC(=O)NCCc2ccc(O)c(O)c2)ncn1 772383945 KXIBKNUFGPDZRQ-UHFFFAOYSA-N 318.333 1.398 10 10 DDCE CC(=O)NCCCNC(=O)c1cc2cc(O)c(O)cc2s1 895625861 GJFAUTLJLKXKQR-UHFFFAOYSA-N 308.359 1.569 10 10 DDCE C[C@H]1CO[C@H](CO)CN1C(=O)c1cc2cc(O)c(O)cc2s1 897016264 ZNRXOYWNRJAVIG-WPRPVWTQSA-N 323.370 1.534 10 10 DDCE CC(C)[C@H](NCC(F)(F)F)C(=O)NCc1cc(O)ccc1O 1153885395 NPCBAMMOJDYRJT-LBPRGKRZSA-N 320.311 1.891 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCNC(=O)c1cccs1 1151031598 IZGCKYQZKAGWAI-UHFFFAOYSA-N 320.370 1.248 10 10 DDCE C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC(C)(C)O1 1329788397 WJKYTJZLUXOXGG-NSHDSACASA-N 318.373 1.260 10 10 DDCE O=S1(=O)C[C@H]2[C@H](CNCc3c(O)cccc3Cl)[C@H]2C1 2117981198 ICLGZZVBHAZVGY-UIKWRGBMSA-N 301.795 1.426 10 10 DDCE COc1ccc(N2CCSC[C@H]2S(C)(=O)=O)c(N)c1 213437793 ZYHNBSPOKRZNRG-GFCCVEGCSA-N 302.421 1.201 10 10 DDCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCCc2c1cnn2C 1545933509 NIGHHVJMFKILHF-CYBMUJFWSA-N 315.373 1.910 10 10 DDCE COC[C@](C)(CO)CNCc1cccc(Br)c1O 1926990396 RPGASTGMAZRGQS-ZDUSSCGKSA-N 318.211 1.889 10 10 DDCE COc1cc(CC(=O)NCc2c(O)cccc2O)ccc1O 1639292793 QWXRGKMMGDMRFG-UHFFFAOYSA-N 303.314 1.671 10 10 DDCE Cc1[nH]c(C=O)cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 1567467733 QDQZLTXFVYTPSS-VIFPVBQESA-N 302.330 1.908 10 10 DDCE Cc1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc(O)n1 1630340020 RNHIKQBVVKQCJH-HYXAFXHYSA-N 300.314 1.836 10 10 DDCE CC(C)[C@@H](C(=O)NCc1cc(O)ccc1O)N1CCCC1=O 1643882192 PXIWHLAIFHAYFX-HNNXBMFYSA-N 306.362 1.361 10 10 DDCE CN(C)C(=O)CC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 1654476826 HTGFLVGAZCMRGV-UHFFFAOYSA-N 324.352 1.567 10 10 DDCE COc1ccc(OCC(=O)NCc2c(O)cccc2O)cc1 1652623322 SXYDQLWPEJNPOX-UHFFFAOYSA-N 303.314 1.802 10 10 DDCE COc1cccc(CNC(=O)[C@@H](C)Cc2cnn(C)c2)c1O 1595799652 CMZQOQXXYFNEBR-NSHDSACASA-N 303.362 1.629 10 10 DDCE CN(C)c1ccc([C@@H](CNS(C)(=O)=O)N2CCCC2)cc1 5098937 QWRGWYJASFBKKV-OAHLLOKOSA-N 311.451 1.439 10 10 DDCE C[C@H]1C[S@@](=O)CCN1c1ccc(CN)c(Br)c1 2004538348 OGHHJZYAWUDUSZ-XYZCENFISA-N 317.252 1.865 10 10 DDCE C[C@@H](N)c1ccc(N(C)CCN(C)S(C)(=O)=O)c(Cl)c1 2146926609 MDXAUCJCBURVFN-SNVBAGLBSA-N 319.858 1.687 10 10 DDCE COc1sccc1S(=O)(=O)NCCc1ccc(N)cc1 2152123544 WFUCFZUMHSFVDX-UHFFFAOYSA-N 312.416 1.860 10 10 DDCE NCc1ccc(N2CCC[C@](O)(CO)C2)cc1Br 313655787 WWTMXNXBRYQTQG-CYBMUJFWSA-N 315.211 1.231 10 10 DDCE CN(c1ccc(CN)c(Br)c1F)[C@H]1COC[C@@H]1O 709422261 NLOXBTLRVKTRPF-UWVGGRQHSA-N 319.174 1.243 10 10 DDCE C[C@]1(CO)C[C@@H](O)CN1c1ccc(CN)cc1Br 698199931 QUSJXYDGEYBNAM-ZWNOBZJWSA-N 315.211 1.230 10 10 DDCE O=S(=O)(C[C@H]1N[C@H]2CC[C@H]1C2)Nc1ccc(O)c(F)c1 2178691520 MJXNILZDBGUJKX-HOTUBEGUSA-N 300.355 1.414 10 10 DDCE CCN(c1cc(Cl)c(CN)cc1F)[C@H]1CCS(=O)(=O)C1 2177383464 NCVALIIVWFZCBD-JTQLQIEISA-N 320.817 1.951 10 10 DDCE O=C1Nc2cc(N3CCOC[C@H]3CF)c(Cl)cc2[C@H]1O 2182594847 BGVVPGWQZWYCND-JMCQJSRRSA-N 300.717 1.500 10 10 DDCE C[C@H]1[C@@H](C)N(c2ccc(CN)cc2Cl)CCS1(=O)=O 2113894472 NGKAKPIVWKQSEO-ZJUUUORDSA-N 302.827 1.811 10 10 DDCE CN[C@H]1CCN(Cc2c(Br)ccc(OC)c2O)C1 2220452500 WEZFNBQJVLKJAY-VIFPVBQESA-N 315.211 1.957 10 10 DDCE COCCNCCN(C)Cc1cc(Br)ccc1O 2256016546 JZGQZWQLPRKKRV-UHFFFAOYSA-N 317.227 1.823 10 10 DDCE COC(=O)c1cnc(S[C@@H]2CC[C@@H](S(C)(=O)=O)C2)s1 2342098177 SAWAERFPCRWJKR-HTQZYQBOSA-N 321.445 1.988 10 10 DDCE CSc1ncc(CN[C@@](C)(C(=O)O)[C@H]2CCNC2)s1 2349499579 FVCIHMMNLYHHFS-QPUJVOFHSA-N 301.437 1.407 10 10 DDCE COC(=O)CCCc1nc(NN(C)S(C)(=O)=O)sc1C 2365339235 LHCJCCNYXLFIMM-UHFFFAOYSA-N 321.424 1.166 10 10 DDCE NC(=O)c1ccccc1NC(=O)Nc1cc(O)c(O)c(O)c1 217278874 XBWDEXXPKWMQHS-UHFFFAOYSA-N 303.274 1.546 10 10 DDCE COC(=O)CCNC(=O)c1c(C)oc(-n2cccc2)c1C#N 32990311 ZUGDQWRRHKMSQG-UHFFFAOYSA-N 301.302 1.543 10 10 DDCE C[C@H]1CN(C2CCN(C(=O)c3cccc(O)c3O)CC2)CCO1 187025049 CBZRFCSOIPXFLR-LBPRGKRZSA-N 320.389 1.423 10 10 DDCE Nc1ccc(CS(=O)(=O)NCCO[C@@H]2CC2(F)F)cc1 690663911 JLRIHUSUZWVUAI-LLVKDONJSA-N 306.334 1.112 10 10 DDCE CS(=O)(=O)C1(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)CCC1 2166702222 NGVPBUBFZVFQCY-SNVBAGLBSA-N 300.384 1.645 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[C@H]2C(=O)O)cc1 902017611 XUUCQBVKTFSKHX-HUUCEWRRSA-N 320.389 1.701 10 10 DDCE CN(C)c1ccc(/C=C\CNCCCN2CCNC(=O)C2)cc1 848558389 QADZFRXTBSGCNZ-HYXAFXHYSA-N 316.449 1.177 10 10 DDCE COc1ccc(N2CCN(C[C@]3(C)CCNC3)CC2)cc1F 843119380 KXAQBZBVNDFTQP-QGZVFWFLSA-N 307.413 1.956 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NCC[C@]2(O)CCOC2)c1 846192793 JQAXWRKUJVBVPE-BZNIZROVSA-N 309.362 1.371 10 10 DDCE CN1CCN(C[C@@H](O)COc2ccc(N3CCCC3)cc2)CC1 840759913 MCDCIMQPHKPKGA-QGZVFWFLSA-N 319.449 1.274 10 10 DDCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1CN 923494533 YPMGPDVCMIGEQI-NVXWUHKLSA-N 303.450 1.940 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C3(O)CCCC3)C2)cc1 855234371 YNKUCEPUQBTRFS-CYBMUJFWSA-N 304.390 1.695 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@]1(O)C[C@H]2C=C[C@H]1C2 855757245 ZIOZYKAFXWEPQS-CWPYUQDTSA-N 301.342 1.554 10 10 DDCE CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2cccc(OC)c2O)C1 866763284 JOVUIKZAFWNBFZ-NWDGAFQWSA-N 321.373 1.996 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)c1 862758802 LZZDDEZLPFINHU-AWEZNQCLSA-N 304.390 1.964 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)c1O 774841152 NYVBIIQKNZGLRG-ONGXEEELSA-N 323.349 1.395 10 10 DDCE O=c1ccc([N+](=O)[O-])cn1Cc1ccc(N2CCOCC2)cc1 877888293 QBHJKWWUOVSJTN-UHFFFAOYSA-N 315.329 1.641 10 10 DDCE CCCNC(=O)CNCc1ccc(Br)cc1O 691425096 CHGCQCFXLYEUMR-UHFFFAOYSA-N 301.184 1.771 10 10 DDCE CN1C[C@H]2CN(c3ccc(CO)c(Br)c3)C[C@@H]2C1 705609483 SCCRHKLKQFMIMT-RYUDHWBXSA-N 311.223 1.939 10 10 DDCE C[C@H](NC[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1O 797117813 NGUZKBCDRNVEGH-QWHCGFSZSA-N 312.435 1.857 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cn1nccc1N 1142419894 XQKFYOIMOUXDLB-CYBMUJFWSA-N 315.421 1.587 10 10 DDCE O=C(N[C@H]1CCO[C@@]2(CCOC2)C1)c1c(F)ccc(O)c1O 1161091905 JCSNLQNNDBOJHA-VFZGTOFNSA-N 311.309 1.305 10 10 DDCE C/C=C\[C@@H](O)C(=O)N1CCN(c2ccc(OCC)cc2)CC1 1339085412 CTAODVKQOOBNOT-OICCZTGUSA-N 304.390 1.671 10 10 DDCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nn2cnnc2)cc1 1466428415 ILXSMTIVIPSYJI-UHFFFAOYSA-N 323.356 1.811 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(CO)nc1 1465409309 RNLKITGGKWPDFB-UHFFFAOYSA-N 313.357 1.679 10 10 DDCE Cc1ccc(NCCNC(=O)c2c(F)ccc(O)c2O)nc1 1611669113 KXUPHSPCYGATQO-UHFFFAOYSA-N 305.309 1.782 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](CNCCF)C2)cc1 1713365461 JNTGUTJAKPUOCK-LLVKDONJSA-N 321.356 1.870 10 10 DDCE CN1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCC1=O 1628279678 ACXUNYHFCMSCMW-LLVKDONJSA-N 303.322 1.200 10 10 DDCE CCCC(=O)N1CCC[C@@H](C(=O)NCc2cc(O)ccc2O)C1 1558174408 MIVLZXZPVHZLMM-GFCCVEGCSA-N 320.389 1.753 10 10 DDCE O=C(c1cccc(O)c1O)N1CCOc2ccccc2[C@H]1CO 1639189354 HGOAKVBIPNEFGM-CYBMUJFWSA-N 315.325 1.666 10 10 DDCE COc1ccc(CNCCN(C)C(=O)Cn2ccnc2)cc1C 1691633630 FXVSRNDYOUIJBF-UHFFFAOYSA-N 316.405 1.448 10 10 DDCE [N-]=[N+]=NCCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1CO 1857661329 WCFPVDPSBIYHCE-UONOGXRCSA-N 303.366 1.296 10 10 DDCE O=S(=O)(CCNCc1ccc(F)cc1O)N1CCCC1 1964588581 UAYBEQULYLBMEB-UHFFFAOYSA-N 302.371 1.047 10 10 DDCE CNCc1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)cc1Cl 2145069808 DSAMXCUVEVUGTG-RISCZKNCSA-N 314.838 1.683 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)COc1ccc(N)cc1 1977672999 SZHJMBCLPWLBCB-QWHCGFSZSA-N 321.377 1.429 10 10 DDCE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)N1CC[C@H](N=[N+]=[N-])C1 1985099065 GMXOJAYUXWOSRA-QMMMGPOBSA-N 321.341 1.703 10 10 DDCE CN([C@@H]1CCN(c2ccc(CO)c(Cl)c2)C1)S(C)(=O)=O 2146921227 AIBYTMQVNOBAHF-GFCCVEGCSA-N 318.826 1.302 10 10 DDCE CNCc1ccc(N(C)CCS(=O)(=O)N(C)C)cc1Cl 2151049846 LJUIJYSUSTVTHG-UHFFFAOYSA-N 319.858 1.387 10 10 DDCE CN(C)[C@H]1CN(c2ccc(CN)cc2Br)C[C@@H]1O 2029432332 FCCCDWMEPPWYMB-STQMWFEESA-N 314.227 1.019 10 10 DDCE C[C@H](C[C@@H]1CCCS1(=O)=O)NCc1c(O)cccc1F 2160778489 QMROCAPGINMYCB-MNOVXSKESA-N 301.383 1.977 10 10 DDCE C[C@@H](O)c1ccc(N2CC(CS(=O)(=O)C(F)F)C2)cc1 2173170490 KGAXDQBFTVYDMF-SECBINFHSA-N 305.346 1.814 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)C3Cc4ccccc4C3)c2n1 2062136971 SQBPIUVPOQWKSB-UHFFFAOYSA-N 322.368 1.983 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H](CO)c2ccsc2)cc1 2175677022 YRJIDDZRANEDHM-ZDUSSCGKSA-N 312.416 1.483 10 10 DDCE O=C(O)c1cn(Cc2cccc(Br)c2O)nc1O 2070591280 OFIKRUGMDNTQEQ-UHFFFAOYSA-N 313.107 1.803 10 10 DDCE CCOC(=O)c1cnc(SC[C@@H](NC(C)=O)C(=O)O)s1 2182619935 PFIRXZUZIPNETH-SSDOTTSWSA-N 318.376 1.001 10 10 DDCE CSc1ncc(CNC(=O)[C@H](N)C2CC(F)(F)C2)s1 2269096952 ZEPHWQGRTHXJPW-MRVPVSSYSA-N 307.391 1.854 10 10 DDCE COc1cc(OC)c(N(C)C[C@H](O)CN(C)C)cc1Cl 2285867852 HKIDCWAFBPQICQ-SNVBAGLBSA-N 302.802 1.716 10 10 DDCE Oc1c(Br)cccc1CN[C@H]1CCC[C@@H](O)[C@H]1O 2312191797 IPKLHCQQVGLGEW-LOWVWBTDSA-N 316.195 1.519 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C(=O)N(C)C)c1O 177240252 GXMOWGBMNCUVHD-CQSZACIVSA-N 308.353 1.787 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@]3(CCCOC3)C1)OCO2 285124930 PMMKNYICXJWMHL-MRXNPFEDSA-N 307.346 1.502 10 10 DDCE O=C1Nc2cc(N3CC([C@@H](F)CO)C3)c(Cl)cc2[C@@H]1O 2166897201 VTIZCYWADDTPKZ-CABZTGNLSA-N 300.717 1.092 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NCc2ccc(N)cc2)C1 719100622 KWZGBSQGPHACTD-KBPBESRZSA-N 307.394 1.339 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NC1COCCOC1 813816626 DKIQINKFAJNVPG-UHFFFAOYSA-N 308.378 1.729 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)/C=C\Cn2cncn2)c1 901127163 JTBWLAXBPJDBMM-BYCRGOAPSA-N 302.334 1.426 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1[C@H]2COC[C@H]21 840362982 LBJFEZHQNYCQOZ-KKBVYLPWSA-N 317.433 1.936 10 10 DDCE Cc1cc(O)c(CNCC2CN(S(C)(=O)=O)C2)c(Cl)c1 840938530 HAHRIJRWLWBJCX-UHFFFAOYSA-N 318.826 1.335 10 10 DDCE C/C(=C/C(=O)NCc1c(O)cccc1F)CN1CCOCC1 928709723 DXNYOHLRFUQBJT-XFXZXTDPSA-N 308.353 1.426 10 10 DDCE COC(=O)[C@H]1CN(C(=O)C=C2CCNCC2)c2ccccc2O1 852814491 URJYHAUYTNRQTK-OAHLLOKOSA-N 316.357 1.263 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCCC[C@@H](C)O)C2)cc1 854300241 XFZDGCQOWRBLAF-ZIAGYGMSSA-N 321.421 1.734 10 10 DDCE COC[C@@H](NCc1cc2c(cc1O)OCO2)C1CCOCC1 850350334 APPDCSCVYXGQGU-CYBMUJFWSA-N 309.362 1.652 10 10 DDCE CC1(C)CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1118999919 BWKLNZVBQAYGCB-UHFFFAOYSA-N 302.374 1.883 10 10 DDCE O=C(NC[C@H](CO)c1ccccc1)c1c(F)ccc(O)c1O 788303349 CVJHEXYWYLQBNF-LLVKDONJSA-N 305.305 1.743 10 10 DDCE CN(Cc1cn(C)nn1)c1ccc(CN)c(Br)c1 689220890 XPTFBRZJKWRZFR-UHFFFAOYSA-N 310.199 1.673 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCc2nc(C3CC3)n[nH]2)cc1 1159379076 ACRSXHUITRXXRW-UHFFFAOYSA-N 313.321 1.775 10 10 DDCE C[C@]1(Br)C[C@@H]1C(=O)NCc1c(O)cccc1O 1178916940 FGNKSMBPOGLKRX-PELKAZGASA-N 300.152 1.888 10 10 DDCE CSC1CC(CNS(=O)(=O)Cc2ccc(N)cc2)C1 2134054160 NKVVLMRQVOPING-UHFFFAOYSA-N 300.449 1.830 10 10 DDCE CC(C)(C)OC(=O)CCCNC(=O)Cc1ccc(O)c(O)c1 1299864416 JLYGOJVRXBUPBB-UHFFFAOYSA-N 309.362 1.878 10 10 DDCE O=C(NC[C@H](O)Cc1ccc(F)cc1)c1c(F)ccc(O)c1O 1458009994 SAJYLDANPHFQBG-LLVKDONJSA-N 323.295 1.709 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)c1cccc(F)c1 1466353702 HDTIIUVWTVSSNK-CYBMUJFWSA-N 305.305 1.629 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1COC2(CCCC2)O1 1466426020 FVSIMAOTOJERRO-GFCCVEGCSA-N 307.346 1.442 10 10 DDCE O=C1CSC(=S)N1CCC(=O)N1CCCC[C@@H]1CCO 1865766018 RHCBYQZUPJJSOU-SNVBAGLBSA-N 316.448 1.000 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)Cc2cnc[nH]2)cc1C 1716413751 CIJQDKWFTGWXGP-CYBMUJFWSA-N 316.405 1.564 10 10 DDCE COc1cccc(OCC(=O)NCc2ccc(O)cc2O)c1 1626837691 DETLERJWVYUCSS-UHFFFAOYSA-N 303.314 1.802 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1ncoc1-c1ccon1 1630334780 GUJHVLRHSMPEBX-UHFFFAOYSA-N 315.285 1.713 10 10 DDCE NC(=O)N[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 1637746153 RELGAONGYOZIIX-MRVPVSSYSA-N 321.358 1.195 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cnc(C(F)(F)F)nc1 1643812283 CBMOIQMKBSWORQ-UHFFFAOYSA-N 313.235 1.837 10 10 DDCE CNC(=O)CC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1587636144 ZTNYYSMGJXBTGK-UHFFFAOYSA-N 306.362 1.015 10 10 DDCE COc1cc(O)c(CN[C@@H](C)[C@@H](O)C(F)(F)F)cc1OC 877693253 DGXCXNZGMLCBSM-JVXZTZIISA-N 309.284 1.811 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl 2144167958 XLLIONXGAZAFTO-GARJFASQSA-N 314.838 1.841 10 10 DDCE CC(C)(C)OC(=O)N1CC=C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980370707 RXFNUHREBGOYAH-AVGNSLFASA-N 322.405 1.675 10 10 DDCE CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1cc(F)ccc1O 2152913592 SIZKHAVUPGOUMB-OCCSQVGLSA-N 301.383 1.977 10 10 DDCE CN[C@H](C)c1ccc(N2CC[C@@H]2C(N)=O)cc1Br 2028927929 RZGMIVTYBCZRBG-PRHODGIISA-N 312.211 1.794 10 10 DDCE CN(Cc1nnnn1C)c1ccc(CN)c(Br)c1 708304303 WSYWYHDRLWRJPB-UHFFFAOYSA-N 311.187 1.068 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC[C@@H](O)C(F)(F)F)cc1 717335417 JYOUUBUOJDOHCG-SNVBAGLBSA-N 312.313 1.002 10 10 DDCE CCCS(=O)(=O)CCN(C)CCOc1ccc(N)cc1 2170436392 UERJIFMBFJOWRR-UHFFFAOYSA-N 300.424 1.404 10 10 DDCE Cc1cccc(O)c1CNCCn1cc(Br)nn1 2072767893 MUVOIULAUJFBMH-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE C[C@H](O)c1ccc(N2CCC2(CO)CO)c(Br)c1 2073921486 PPURSOCLUQTDOG-VIFPVBQESA-N 316.195 1.436 10 10 DDCE CN(C)c1ccc([C@H](NN)c2nn(C)cc2Br)cc1 2106822699 HVRKGDHJDPAKGX-LBPRGKRZSA-N 324.226 1.801 10 10 DDCE COC(=O)[C@@H](C)CS(=O)(=O)Nc1c(C)cc(O)cc1C 2239632663 NMUNZRDQQDGLAM-JTQLQIEISA-N 301.364 1.560 10 10 DDCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@H]3O)c(F)c1Br 2258328272 DGOQGCZZCFQSQO-YFKFIEJBSA-N 315.186 1.864 10 10 DDCE CSc1ncc(CN=c2ccc(S(C)(=O)=O)c[nH]2)s1 2269198474 ZRWMPRACGJWWBY-UHFFFAOYSA-N 315.445 1.698 10 10 DDCE CSc1ncc(CNC(=O)[C@H](C)O[C@@H](C)C(=O)O)s1 2269121844 SBVNANMZKXTEOT-BQBZGAKWSA-N 304.393 1.359 10 10 DDCE CN1C(=O)C(=C/C=C\Nc2ccccc2)C(=O)N(C)C1=S 102408040 KAGXTMXUYJWFPB-POHAHGRESA-N 301.371 1.754 10 10 DDCE O=C(NC1CC1)[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1O 173192795 YIKYDEQVIWAPSU-CYBMUJFWSA-N 305.334 1.543 10 10 DDCE Cc1nc(S(=O)(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])c(Cl)n1C 2364140423 JDKDNARVSJDCOW-SFYZADRCSA-N 318.790 1.892 10 10 DDCE COc1cc2c(cc1OC)N(CC(=O)O)CC1(CCNCC1)N2 75280786 UCOTWJPAUWLOHR-UHFFFAOYSA-N 321.377 1.143 10 10 DDCE COC(=O)CCCCc1csc(NN(C)S(C)(=O)=O)n1 2365283994 ZIWFGCNUFVTEAV-UHFFFAOYSA-N 321.424 1.247 10 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312.347 1.316 10 10 DDCE C[C@H](O)CN(C[C@H](C)O)c1ccc(CN)c(Br)c1 2041736905 QFZZSLNPZAHTQN-UWVGGRQHSA-N 317.227 1.476 10 10 DDCE CSc1ncc(CN2[C@@H](C(=O)O)CC[C@@H]2C(=O)O)s1 2269118562 JZGVUKXBAFTMGS-HTQZYQBOSA-N 302.377 1.367 10 10 DDCE CSc1ncc(CNCC23CC(C(=O)O)(CO2)C3)s1 2269092947 MAVLHZYVPFBFDQ-UHFFFAOYSA-N 300.405 1.588 10 10 DDCE CSc1ncc(CNC[C@H](O)COc2cnsn2)s1 2269203944 SXGRPMHMEMWHLR-ZETCQYMHSA-N 318.449 1.246 10 10 DDCE CSc1ncc(CNC(=O)c2ccnc(C(=O)O)c2)s1 2284555095 GWNQWCOGMOYOOO-UHFFFAOYSA-N 309.372 1.888 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2C=C[C@H](C(=O)O)C2)s1 2284501784 UWQAZFKCHQEMTM-JGVFFNPUSA-N 313.404 1.694 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@@H](Sc2ncc(C(=N)N)s2)C1 2319434181 ACPBLHDTGFZELL-RNFRBKRXSA-N 305.450 1.485 10 10 DDCE CC(C)(C)C(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 170908817 CQVOKSGZDLIQSR-UHFFFAOYSA-N 321.377 1.991 10 10 DDCE CN(Cc1ccc(F)cc1O)[C@@H]1CC[C@@H](S(C)(=O)=O)C1 2361676091 DYBHBGSAESGUBD-CHWSQXEVSA-N 301.383 1.929 10 10 DDCE 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320.433 1.715 10 10 DDCE CN1CCN(c2ccc(CNCc3ccnc(O)c3)cc2)CC1 922332103 CFPHMXADHMPCSW-UHFFFAOYSA-N 312.417 1.829 10 10 DDCE O=C(COc1ccc(O)cc1)NCCc1ccc(O)c(O)c1 762263200 BAEWXNGECKARGD-UHFFFAOYSA-N 303.314 1.541 10 10 DDCE C[C@H](NC(=O)c1c[nH]nc1[C@@H]1CCNC1)c1ccccc1O 870988027 DKHNXBPLOGJLIW-WDEREUQCSA-N 300.362 1.683 10 10 DDCE CO[C@H](C)c1noc(CN(C)C(=O)c2cccc(O)c2O)n1 790857172 LDAJVQIAOQEDMJ-MRVPVSSYSA-N 307.306 1.460 10 10 DDCE COc1ccc(CNC(=O)NCCc2nc(C)no2)c(O)c1 792884377 SCBIIHXFIOTOOA-UHFFFAOYSA-N 306.322 1.134 10 10 DDCE NC(=O)c1nccnc1N1CC=C(c2ccc(Cl)nc2)CC1 1307084725 UKHTYKXPLAHIRA-UHFFFAOYSA-N 315.764 1.918 10 10 DDCE CN1CCCc2cc(CNC(=O)C(=O)N3CC(C)(F)C3)ccc21 1322172188 QXDBVMRSAPMZRE-UHFFFAOYSA-N 319.380 1.256 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)NCC(C)(C)C2CC2)cc1 1340445423 KGACIDUUDTYLGD-UHFFFAOYSA-N 317.433 1.921 10 10 DDCE CS(=O)(=O)c1ccsc1[C@H](O)[C@@H](N)c1ccccc1O 1912414170 GYGCKSWHOQDQGD-NWDGAFQWSA-N 313.400 1.591 10 10 DDCE Cn1ccnc1[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 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10 10 DDCE COc1ccc(N2CCC(NC(=O)CC[S@](C)=O)CC2)cc1 155399135 XMJWEDAZMZWDKH-JOCHJYFZSA-N 324.446 1.549 10 10 DDCE CC[C@@H](CC(=O)C(=O)C[C@H]1C[C@H](N)C1)NC(=O)OC(C)(C)C 1893864053 IXVZKUOXQDTOSH-SRVKXCTJSA-N 312.410 1.945 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)[C@H](CO)NC(=O)OC(C)(C)C 1885561442 RLCAOWGWNFMRQD-VIFPVBQESA-N 301.347 1.031 10 10 DDCE C[C@H](O)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl 2144164670 KNXFTWLIAZZBSM-GARJFASQSA-N 315.822 1.874 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccc(N)cc1 1985187522 AOPWSZSODVYJCA-HUUCEWRRSA-N 321.421 1.729 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1 1985980284 FYOHWBMBZOSHGR-LPWJVIDDSA-N 324.421 1.945 10 10 DDCE C[C@@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1ccccc1O 1989686961 ORHAUDYPDIAQJV-PWSUYJOCSA-N 324.377 1.455 10 10 DDCE N[C@](CSc1nccs1)(C(=O)O)C1(Br)CC1 1995112410 XPVOVFACARXDTP-SECBINFHSA-N 323.237 1.945 10 10 DDCE OC[C@@H](O)C1(NCc2cc(Br)ccc2O)CC1 2015900094 MYVQDEPAAKKBFM-LLVKDONJSA-N 302.168 1.130 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c(F)c1 400849128 PCQOOFMISMTESH-MXWKQRLJSA-N 300.399 1.857 10 10 DDCE NCc1ccc(N2CC(n3cnnc3)C2)c(Br)c1 2050820131 QRKSGLWZBUWUPD-UHFFFAOYSA-N 308.183 1.561 10 10 DDCE NCc1cc(F)c(N2C[C@@H](CO)[C@@H](F)C2)cc1Br 2057002885 QSANRGRVHIGSAN-KWQFWETISA-N 321.165 1.814 10 10 DDCE CC1([C@@H]2CCCCN2C(=O)Cc2ccc(N)cc2)OCCO1 2089565897 RTVRULSAUKGPNT-HNNXBMFYSA-N 304.390 1.955 10 10 DDCE C[C@H](NCCS(=O)(=O)C(F)(F)F)c1ccc(O)cc1O 2232494331 BRAHYIQKANCVFD-ZETCQYMHSA-N 313.297 1.683 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CNCC[C@H]2C)s1 2350653426 UHLPWAOBZDZTMA-PELKAZGASA-N 301.437 1.407 10 10 DDCE CC(=O)N(C(=O)C(=O)N1[C@@H](C)CCC[C@H]1C)c1ccc(N)cc1 170318629 HLJDALVQMKKPNI-TXEJJXNPSA-N 317.389 1.938 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCOC4(CCC4)C3)cc2N1 301905692 YROYKSNIXGCDBA-UHFFFAOYSA-N 319.317 1.685 10 10 DDCE CN(Cc1ccccc1O)[C@H](C(=O)NC(N)=O)c1ccccc1 171925793 XQHPOPFZJXBFKW-HNNXBMFYSA-N 313.357 1.760 10 10 DDCE N[C@@H](c1c(O)c(Cl)cc(Cl)c1Cl)[C@@H](O)C(=O)O 1952056757 IDYWMZPDFDIUSO-POYBYMJQSA-N 300.525 1.798 10 10 DDCE COc1ccc(N2CCN(C[C@H]3CSCCN3)CC2)cc1 214413017 BMPVUYHKHXJABB-AWEZNQCLSA-N 307.463 1.522 10 10 DDCE COc1cc(Cl)c(N2CC[C@@H](O)[C@@H](CO)C2)c(OC)c1 2368104794 BITJSSXKHHKJTP-BXKDBHETSA-N 301.770 1.537 10 10 DDCE COc1cc(Br)cc([C@@H]2[C@H](N)CCN2C)c1O 1952653027 KXBKSJLUZZWHQB-MWLCHTKSSA-N 301.184 1.867 10 10 DDCE Cc1ccc(C(=O)N2CCO[C@]3(CCCOC3)C2)c(O)c1O 286016616 RRZFFMWOFVANQO-MRXNPFEDSA-N 307.346 1.428 10 10 DDCE COC[C@@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 801733753 CRHDYGRULRFVTK-AWEZNQCLSA-N 323.393 1.682 10 10 DDCE CC1CCN(c2ccc(CNC(=O)[C@@H]3COC(=O)N3)cc2)CC1 823195749 KLVURDVDGFTJIW-HNNXBMFYSA-N 317.389 1.648 10 10 DDCE CO[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1C 828902904 DBFQEIUISVJNKX-ZANVPECISA-N 321.333 1.787 10 10 DDCE CCc1ncc(CNC(=O)NCc2cc(OC)ccc2O)o1 838474734 PRHPUFNRSCASQV-UHFFFAOYSA-N 305.334 1.951 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1[C@@H](N)Cc1ccc(O)c(O)c1 1952914862 WBUIOSRWZAHQQU-SDDRHHMPSA-N 308.378 1.881 10 10 DDCE C[C@H](NC(=O)[C@@]1(C)C[C@H](O)CN1C)c1ccc(N(C)C)cc1 907494033 WWSFHTBZWGCFKN-YLQAJVPDSA-N 305.422 1.385 10 10 DDCE COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(O)c1O 836841547 CCBAANAVYGZZBM-PWSUYJOCSA-N 307.346 1.868 10 10 DDCE Cc1cc(Cl)cc(CN2CC[C@H](N3CCNCC3)C2)c1O 843123586 SFKYIUJZFFEXTB-HNNXBMFYSA-N 309.841 1.834 10 10 DDCE Cc1nn(C)cc1S(=O)(=O)NCc1cccc(Cl)c1O 1337963160 SMUCQXYVBNPLEE-UHFFFAOYSA-N 315.782 1.566 10 10 DDCE CN(C)c1ccc(CNC(C)(C)CNS(C)(=O)=O)cc1F 922637227 VVYUESOMLOXZRK-UHFFFAOYSA-N 317.430 1.309 10 10 DDCE O=C1[C@H](NCc2cc3c(cc2O)OCO3)CCN1C1CCC1 858342299 KFDJHAGMTCNEBC-GFCCVEGCSA-N 304.346 1.364 10 10 DDCE CCn1nncc1CN[C@@H]1CCN(c2ccc(OC)cc2)C1 850346263 DKTCLKDKACWPDY-CYBMUJFWSA-N 301.394 1.675 10 10 DDCE COC(=O)C[C@@H](C)C(=O)NCc1ccc2cccnc2c1O 862027573 XJHRDTOEJHJWCH-SNVBAGLBSA-N 302.330 1.756 10 10 DDCE COC[C@@](C)(CO)NCc1ccc(N2CCOCC2)c(F)c1 777483556 TYVWPVDLOKUIIA-MRXNPFEDSA-N 312.385 1.149 10 10 DDCE Cn1cc([C@@H](NC(=O)c2cccc(O)c2O)C(F)(F)F)cn1 773832693 AMEYPCUMMIBWBF-LLVKDONJSA-N 315.251 1.865 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H](S(C)(=O)=O)C2)cc1Cl 2123338288 XGXMRXCFFXMTTR-GXSJLCMTSA-N 302.827 1.983 10 10 DDCE CS(=O)(=O)C1(C(=O)NCc2cc(O)ccc2O)CCCC1 1176748496 ULNKFQBBKQTGFY-UHFFFAOYSA-N 313.375 1.071 10 10 DDCE CC(=O)C(=O)COC(=O)c1cncc(Br)c1C 1327148735 PVNMGPCRPIPIKZ-UHFFFAOYSA-N 300.108 1.467 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2cnn(C)c2)cc1C 1266921737 IGMVOLATPCPIBJ-CYBMUJFWSA-N 316.405 1.645 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CCN(CCCF)CC1 1262138184 PIWBJIQNZKZODI-UHFFFAOYSA-N 300.305 1.354 10 10 DDCE CCc1noc(COCC(=O)NCc2ccc(OC)cc2O)n1 1448387382 XQDUBHHIJOBEII-UHFFFAOYSA-N 321.333 1.179 10 10 DDCE C[C@H](NC(=O)C1CCCCC1)C(=O)NCc1cc(O)ccc1O 1455356827 KQDBNMKPOGBCJF-NSHDSACASA-N 320.389 1.799 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCc2nn[nH]c2C1 1544283401 ISWNUDJKFHNCCH-UHFFFAOYSA-N 316.342 1.629 10 10 DDCE O=C(NCc1cc(C(F)(F)F)n[nH]1)c1cccc(O)c1O 1471380761 QHJNCROTJTXOSM-UHFFFAOYSA-N 301.224 1.770 10 10 DDCE CCCN1C[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)CC1=O 1626821493 HJFBNZFHRYZLPP-GFCCVEGCSA-N 306.362 1.015 10 10 DDCE C[C@H](O)C[C@H]1COCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1624863607 GXGQKWKWOJRAAZ-GWCFXTLKSA-N 320.349 1.461 10 10 DDCE COC(=O)[C@]1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1622592144 MPSWBOWEHDKXAS-OAHLLOKOSA-N 318.333 1.874 10 10 DDCE COc1ccc(CNC(=O)c2ncc(OC)cc2F)c(O)c1 1626079955 QRWCKLRPXRBRCR-UHFFFAOYSA-N 306.293 1.874 10 10 DDCE CN[C@H](C)c1ccc(N2CCS(=O)(=O)C[C@@H]2C)c(F)c1 228767189 UQYJLQBMNHHKFX-WDEREUQCSA-N 300.399 1.729 10 10 DDCE COC(=O)c1nc(C(=O)NCc2cc(C)ccc2O)cs1 1584983094 CKXOJZNZTUKHAJ-UHFFFAOYSA-N 306.343 1.874 10 10 DDCE COCCNCc1ccc(N2CCO[C@H](CO)C2)c(Cl)c1 167301567 HMVPGVMSKXHEIF-ZDUSSCGKSA-N 314.813 1.274 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)c1cccc(O)c1O 1962353526 RJMINQUTYCLZKO-NXEZZACHSA-N 308.334 1.493 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)NCCN=[N+]=[N-] 1885557886 VXBCPQNRXDZCKM-BDAKNGLRSA-N 301.322 1.760 10 10 DDCE CC[C@H](N)Cc1cnc(Sc2nnnn2CCOC)s1 2155361976 XVVDAEPUJFYWFK-QMMMGPOBSA-N 314.440 1.207 10 10 DDCE NCc1ccc(N2CCCC2(CO)CO)c(Br)c1 2029366967 ARUYIUMHUCJZAC-UHFFFAOYSA-N 315.211 1.231 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](CO)C2)cc1Br 316549251 MFUIVOZXGZHLSC-KKFJDGPESA-N 315.211 1.258 10 10 DDCE CS(=O)(=O)N[C@H]1CCCN(Cc2cccc(F)c2O)C1 703131172 INJRIIYALXOWSV-NSHDSACASA-N 302.371 1.045 10 10 DDCE CNCc1ccc(N2C[C@@H](O)C[C@H]2CO)c(Br)c1 704725975 DASYLOYKLFDTGW-QWRGUYRKSA-N 315.211 1.100 10 10 DDCE COCC1(O)CN(c2ccc(CN)cc2Br)C1 384010215 VLEGZXJIZWRQAV-UHFFFAOYSA-N 301.184 1.105 10 10 DDCE CSc1ncc(CNC[C@@H]2CN[C@@H]3CCOC[C@H]3C2)s1 2284721474 CCYGVAYZLKSEEP-NQBHXWOUSA-N 313.492 1.969 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@@](C)(C(=O)O)C2)s1 2284536785 HOTKWLXWFRMWRZ-GFCCVEGCSA-N 315.420 1.871 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2C[C@H](N)CC(C)(C)O2)s1 2284509720 WXVDOXHIGSFGPZ-WPRPVWTQSA-N 315.464 1.766 10 10 DDCE COc1cc(OC)c(N2CC[C@@H](CO)[C@H](N)C2)cc1Cl 2285935926 KYVUQRNBOSGNPO-GXSJLCMTSA-N 300.786 1.503 10 10 DDCE CN(C(=O)C=Cc1ccc(O)c(O)c1)C1(C(N)=O)CCCC1 2308005791 HQTWSUCOAJCSLQ-UHFFFAOYSA-N 304.346 1.368 10 10 DDCE COc1ccc(N2CCC(NC(=O)NC[C@H](C)CO)CC2)cc1 102533458 XMNQSLHYCRNTKL-ZDUSSCGKSA-N 321.421 1.592 10 10 DDCE COc1ccc(O)c(CNC(=O)NCCc2nc(C)no2)c1 114593860 VCACGPXEDIEMAG-UHFFFAOYSA-N 306.322 1.134 10 10 DDCE CN1C[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CCC1=O 128590216 FOEOMXMQSLOFST-GFCCVEGCSA-N 322.384 1.312 10 10 DDCE CCOC(=O)c1sc(NN(C)S(=O)(=O)C2CC2)nc1C 2365274241 ZBRGZWDAJJHYRS-UHFFFAOYSA-N 319.408 1.379 10 10 DDCE COc1cccc(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1O 92105630 DBIHNKMCWGYSNB-ZIAGYGMSSA-N 304.390 1.891 10 10 DDCE COC[C@@](O)(CO)CNCc1cc(Cl)cc(Cl)c1O 1966066813 HOZRQWHKTHNLDY-LBPRGKRZSA-N 310.177 1.158 10 10 DDCE CC[C@H](C)NC(=O)[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 588404893 WXSGDLCNOAMMAN-KXKUKXMYSA-N 306.362 1.530 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 843261547 MAJCCANXYYJJCO-UMVBOHGHSA-N 301.390 1.232 10 10 DDCE CC(C)(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@@H]1O 841115279 PUSHPDCTRZZCQU-KGLIPLIRSA-N 319.405 1.463 10 10 DDCE COCCOC[C@H](C)NC(=O)NCc1c(O)cccc1F 920487594 GCWPDBACDZKJGK-JTQLQIEISA-N 300.330 1.382 10 10 DDCE CC(=O)NCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1 922545985 WRIBWFPUZVMVFX-SOFGYWHQSA-N 307.346 1.961 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC3(CCO)CC3)C2)cc1 854297623 PHTFRLOFHHVFJT-CYBMUJFWSA-N 319.405 1.488 10 10 DDCE c1cc2c(cc1CNCc1nc(C3CCOCC3)n[nH]1)CCO2 865686736 HWPVUOCGSYBBDR-UHFFFAOYSA-N 314.389 1.923 10 10 DDCE COc1ccc(CNC(=O)/C=C/COC2CCOCC2)c(O)c1 867955497 BISHKWJGKGECRQ-NSCUHMNNSA-N 321.373 1.769 10 10 DDCE CCO[C@H](C(=O)NCc1cc(OC)ccc1O)C1CCOCC1 866766443 RQYLSQXWABLHQV-INIZCTEOSA-N 323.389 1.849 10 10 DDCE C[C@H](NC(=O)NCCCS(C)(=O)=O)c1ccccc1O 868171294 OCTFECINTFHAGW-JTQLQIEISA-N 300.380 1.187 10 10 DDCE CN(C)c1ccc(CN2C(=O)N[C@]3(CCSC3)C2=O)cc1F 761185849 XZRCMBVKBAHCGH-HNNXBMFYSA-N 323.393 1.819 10 10 DDCE CC(C)(O)C[C@@H](O)CNCc1ccc(N2CCSCC2)cc1 872201281 UVVVVXLAPZLUHG-MRXNPFEDSA-N 324.490 1.851 10 10 DDCE CN(C)Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)o1 1137464982 ZTGTVXFJHXEQPY-UHFFFAOYSA-N 304.346 1.725 10 10 DDCE C[C@@H](C(N)=O)N(C)c1ccc([C@@H](C)O)c(Br)c1 711117507 GGLBMWIJJRJCEM-JGVFFNPUSA-N 301.184 1.812 10 10 DDCE COc1ccc([C@@H](C)NCC(C)(C)S(C)(=O)=O)c(O)c1 93522916 CDUBUXIEKATQGL-SNVBAGLBSA-N 301.408 1.875 10 10 DDCE C[C@@H](NC(=O)[C@@H]1CCc2nnc(O)n2C1)c1ccccc1O 1302532985 XSRJUAROSDGNET-NXEZZACHSA-N 302.334 1.129 10 10 DDCE COC(=O)[C@@H]1C[C@H](O)CN1C/C=C\c1ccc(N(C)C)cc1 1328108981 WETVYMMCOYYAEI-UDLYIEAKSA-N 304.390 1.374 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N2CCCC2(C)C)cc1 1321921156 JMIIHGZAGNMTLQ-UHFFFAOYSA-N 303.406 1.770 10 10 DDCE CN1CCCc2cc(CNC(=O)NC[C@@H]3CCC(=O)N3)ccc21 1330047885 XYOHYCWJZKNBRI-AWEZNQCLSA-N 316.405 1.147 10 10 DDCE CN1Cc2ccccc2[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1447332618 CRAFDLAAZNNEFV-HNNXBMFYSA-N 312.369 1.943 10 10 DDCE CC1(NCc2ccc(Br)cc2O)CS(=O)(=O)C1 1918407015 ZVMIIVKVJFYZJE-UHFFFAOYSA-N 320.208 1.431 10 10 DDCE CCn1nc(C(N)=O)c2c1CCN(c1ccc(OC)cc1)C2 212625699 LDBKPFRJKKLYQU-UHFFFAOYSA-N 300.362 1.573 10 10 DDCE Cc1cc([C@](C)(O)CNC(=O)Cc2ccc(O)c(O)c2)c(C)o1 1628785997 MACNLHZGHPLNOI-QGZVFWFLSA-N 319.357 1.874 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCN1CC 1639587740 DGPRXLREUPVGNP-AWEZNQCLSA-N 320.389 1.378 10 10 DDCE CN1CCC([C@H]2CCN(C(=O)Cc3ccc(O)c(O)c3)C2)CC1 1567283089 QJRSGKOSGYNVIE-HNNXBMFYSA-N 318.417 1.831 10 10 DDCE COc1cccc(C(=O)NCc2c(O)cccc2O)c1[N+](=O)[O-] 1639292773 QEPDZWZULFKKFP-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE CC(C)(C)OC(=O)N1CCN(NCc2ccccc2O)CC1 1928197314 CTSYCRBMNYBRMH-UHFFFAOYSA-N 307.394 1.950 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)C[C@@H]2CCCO2)cc1 1645516875 UZGMJWYSRHARLJ-STQMWFEESA-N 320.349 1.509 10 10 DDCE O=C1CC[C@H](C(=O)NCc2cc(O)ccc2O)n2cccc21 1651225549 OHFWSBVTJQANAW-CYBMUJFWSA-N 300.314 1.733 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCc2csc(O)n2)cc1 1650858068 ACHNOORJGWPICS-UHFFFAOYSA-N 305.319 1.941 10 10 DDCE NCc1cc(F)c(N(CC(N)=O)Cc2ccccc2)c(F)c1 1931980251 FDODYXMJUQWJBC-UHFFFAOYSA-N 305.328 1.915 10 10 DDCE Nc1nc(C2CC2)ncc1C(=O)NCc1c(O)cccc1F 1596916695 KSQDOHLMDIQSCW-UHFFFAOYSA-N 302.309 1.711 10 10 DDCE Nc1ccc(-n2nnc(C(=O)N3CCOc4ccccc43)n2)cc1 1857878471 CYPCRQOOFOLCMJ-UHFFFAOYSA-N 322.328 1.284 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCC2(Cl)CC2)cc1 1888476519 CSLXMTKZHLMISU-UHFFFAOYSA-N 304.799 1.338 10 10 DDCE CO[C@H]1COC[C@H]1NCc1c(O)cccc1Br 2008133866 IWEWJQDPLIYSLH-PWSUYJOCSA-N 302.168 1.658 10 10 DDCE Nc1ccc(CS(=O)(=O)NC2C[C@@H]3[C@@H](C2)C3(F)F)cc1 693361611 DMCICAVNIPFFKE-VXGBXAGGSA-N 302.346 1.732 10 10 DDCE CC[C@H]1CN(C(=O)c2cnn3c(O)cc(C)nc23)[C@H](CC)CO1 2062347058 VTUDYHUBPXRLHI-NEPJUHHUSA-N 318.377 1.773 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCc4ncsc4C3)c2n1 2063355282 BZDCRSVHOQDPFZ-UHFFFAOYSA-N 315.358 1.398 10 10 DDCE CN(C(=O)c1cc(O)c(O)c(O)c1)C1CCC2(CC1)OCCO2 2188915423 HYEYJDSOMKRZHE-UHFFFAOYSA-N 323.345 1.561 10 10 DDCE Cc1nn(C)c(Br)c1[C@H](NCCN=[N+]=[N-])C(=O)O 2076818242 PLUCVECEWNSPMK-ZETCQYMHSA-N 317.147 1.517 10 10 DDCE COc1ccc(Br)c(CN(C)[C@@H](C)CN)c1O 2214867978 BHLCVXUWJDWVLC-QMMMGPOBSA-N 303.200 1.942 10 10 DDCE CSCC[C@H](NC(N)=O)C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2234171637 NJKNFXWFZMBLAQ-YIZRAAEISA-N 300.388 1.124 10 10 DDCE O=S(=O)(CCNCc1cc(F)ccc1O)C(F)(F)F 2224286486 CUYFRTWXHDBXKM-UHFFFAOYSA-N 301.261 1.556 10 10 DDCE COC(=O)CN1C(=O)C(=Cc2cccc(O)c2)SC1=S 2293080742 OQTOXCRHCRZCDN-UHFFFAOYSA-N 309.368 1.766 10 10 DDCE COc1cc(OC)c(N(C)C[C@@H]2COCCN2)cc1Cl 2285871394 OMCGIXLOAQQPCA-SNVBAGLBSA-N 300.786 1.782 10 10 DDCE O=C1N=C(N2CCOCC2)SC1=Cc1ccc([N+](=O)[O-])cc1 2296680741 PATZYQRIEFIBTD-UHFFFAOYSA-N 319.342 1.897 10 10 DDCE CC(=O)N1CCN(C(=O)C=Cc2ccc(O)c(O)c2)C(C)(C)C1 2308009310 OGSRKVJBPHFKPQ-UHFFFAOYSA-N 318.373 1.580 10 10 DDCE Cc1ccc(CN2CCOC[C@H](O)C2)c(O)c1Br 2327554603 VRRWJURPTLHDLN-LLVKDONJSA-N 316.195 1.656 10 10 DDCE Cc1ccc(CNC2CC(C(N)=O)C2)c(O)c1Br 2327799125 QLNBAPZBCSOJPQ-UHFFFAOYSA-N 313.195 1.817 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CC[C@H](C)OC2)s1 2346028804 RECADFGSOIKECU-QPUJVOFHSA-N 302.421 1.977 10 10 DDCE CCOC(=O)C(C)(C)c1csc(NN(C)S(C)(=O)=O)n1 2365341808 PUOGAYRBUFKGNH-UHFFFAOYSA-N 321.424 1.202 10 10 DDCE COC(=O)c1c[nH]c(=NCc2cnc(SC)s2)nc1C 2363901662 UCNGTZQUWHKKRC-UHFFFAOYSA-N 310.404 1.784 10 10 DDCE C[C@H]1CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C[C@@H]1N(C)C 226079685 LJVKOWSXUYHZDD-ULCPSODYSA-N 308.813 1.678 10 10 DDCE Nc1ccc(OCCNS(=O)(=O)c2cncc(F)c2)cc1 44260280 APCOVOACYWERFG-UHFFFAOYSA-N 311.338 1.160 10 10 DDCE COc1ccc(N2CCN(C(=O)c3cncc(O)c3)CC2)cc1 82320399 DYPMIJGPGHRQNM-UHFFFAOYSA-N 313.357 1.758 10 10 DDCE CCOc1ccc(O)c(CN2CC[C@H](CN3CCOCC3)C2)c1 93665212 BRMFHINWGIUDOS-OAHLLOKOSA-N 320.433 1.945 10 10 DDCE C[C@H](N)c1cc(I)cc([N+](=O)[O-])c1O 238421612 NUIBDWGRNNLXGY-BYPYZUCNSA-N 308.075 1.925 10 10 DDCE NC[C@H]1CCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1 255069443 UGJURXFPIBKKEH-QQNRWZHASA-N 315.417 1.344 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@]2(CCCOC2)C1 286404879 PKYNRGILQZPTAN-RCFWFJCLSA-N 319.357 1.519 10 10 DDCE COC[C@@H]1CCN1C(=O)NCc1ccc2c(c1)CCCN2C 297129059 HLWOAPDTHIOUPA-HNNXBMFYSA-N 303.406 1.999 10 10 DDCE CS(=O)(=O)N[C@@H]1CCN(Cc2ccc3ccccc3c2O)C1 816514437 YCMHFFLKHPAPHX-CQSZACIVSA-N 320.414 1.669 10 10 DDCE CN(C)c1ccc(CNC(=O)NC2COCCOC2)cc1F 813613363 NLRGMGRWYPYAPM-UHFFFAOYSA-N 311.357 1.106 10 10 DDCE C[C@H](NC(=O)N1CN(C)C(=O)[C@@H]1C)c1ccc(N(C)C)cc1 826532301 UAZMCBGDGZWXDZ-RYUDHWBXSA-N 304.394 1.643 10 10 DDCE COC(=O)c1cnc(SC[C@H](O)C2(O)CCCC2)s1 905954324 AABQEJJDUCKOQI-VIFPVBQESA-N 303.405 1.688 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@H](CCC(=O)O)C(=O)O)cc1 904050683 NXJDMCWDXZGTEI-VQTKUKTRSA-N 306.362 1.673 10 10 DDCE CO[C@@H]1COCC[C@H]1CC(=O)OCC(=O)c1ccc(O)c(O)c1 838007921 ACTHVIXGZHYZFW-XHDPSFHLSA-N 324.329 1.265 10 10 DDCE Cn1nnc(C(=O)N2Cc3cccc(O)c3C2)c1C(F)(F)F 913726435 PCXZARWIQLMYFV-UHFFFAOYSA-N 312.251 1.696 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cn(C)cn3)C2)cc1 855233395 GSNKZLKGUDNEIV-LBPRGKRZSA-N 300.362 1.437 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCC(=O)C3)C2)cc1 855223995 JTAUYNNRRXDYIM-CHWSQXEVSA-N 302.374 1.759 10 10 DDCE Cc1ccc(O)c([C@@H](C)NC[C@]23COCCN2C(=O)OC3)c1 866521632 OEDAQZDMBXIPQJ-MLGOLLRUSA-N 306.362 1.572 10 10 DDCE COC[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 761906267 BBHDEHYDZXIXSB-SECBINFHSA-N 307.306 1.398 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1sc(-c2ccn(C)n2)nc1C 884824340 WHQGNFOYJYHKTO-UHFFFAOYSA-N 321.358 1.096 10 10 DDCE Cn1cnnc1SCC(=O)Nc1c(Cl)ccc2nonc12 1128704003 BBDWRZORRRNAJH-UHFFFAOYSA-N 324.753 1.736 10 10 DDCE C[C@@H](NC(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccc(N(C)C)cc1 773317386 WTBBECSIKDIWQQ-TZMCWYRMSA-N 318.421 1.734 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nnc2ccccc2n1 1138152258 CIFKTKBGVHESIJ-JTQLQIEISA-N 324.340 1.797 10 10 DDCE O=C(NC[C@@H](O)c1ccc(F)cc1)c1c(F)ccc(O)c1O 790070025 YCUJGHFJFPIUDL-GFCCVEGCSA-N 309.268 1.839 10 10 DDCE COc1cc(C)cc(CN(C)[C@H]2CCN3CCO[C@H]2C3)c1O 894869196 QKIAPLUIUFYROR-HOCLYGCPSA-N 306.406 1.614 10 10 DDCE CN(C)c1ccc([C@](C)(NC(=O)OC(C)(C)C)C(N)=O)cc1 698402295 ZLDRVLRAIJLQNY-INIZCTEOSA-N 307.394 1.978 10 10 DDCE CC[C@H]1C(=O)NCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1178641945 GUFILQYWVSSOPJ-LBPRGKRZSA-N 317.349 1.590 10 10 DDCE CN1CCN(c2ccc(CNCc3ccn(C)n3)cc2F)CC1 1319737324 PYTMXAZBJKLKJR-UHFFFAOYSA-N 317.412 1.601 10 10 DDCE Cn1ccc(-c2cc(C(=O)NCc3cc(O)ccc3O)n[nH]2)c1 1176755654 RVNLWKGXWAAJSN-UHFFFAOYSA-N 312.329 1.756 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2n[nH]cc2C)cc1C 1321843436 RPOWVDCDXZETAP-ZDUSSCGKSA-N 316.405 1.943 10 10 DDCE CC[C@]1(C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1 1332020585 CVZKATNGIVSMLJ-QGZVFWFLSA-N 318.373 1.262 10 10 DDCE COc1ccc(CNC[C@@H](C)N(C)C(=O)c2cn[nH]c2)cc1C 1268052424 DCLROBGKCZHRHJ-CYBMUJFWSA-N 316.405 1.977 10 10 DDCE CCOC(=O)C1(CC(=O)NCc2cccc(O)c2O)CCC1 1348048601 VQCGJUKVRSJUOC-UHFFFAOYSA-N 307.346 1.838 10 10 DDCE C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[C@@H](C)O1 1347020197 KUKTVUUNHVXHOY-OLZOCXBDSA-N 320.389 1.377 10 10 DDCE C/C(=C/C(=O)N1CC(=O)N(C)c2ccccc21)c1cnccn1 1532493073 DGKNIQRAOQYFPW-XFXZXTDPSA-N 308.341 1.890 10 10 DDCE CC(=O)Nc1ccc(C(=O)NCc2cc(O)ccc2O)nc1 1471661302 MMZPWCXUVPNPJP-UHFFFAOYSA-N 301.302 1.381 10 10 DDCE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1nncn1C 1624710156 BSHZPICDOJDAOP-QMMMGPOBSA-N 301.310 1.469 10 10 DDCE CC(=O)Nc1cccc(C(=O)NCc2ccc(O)cc2O)c1 1626837688 DDALFAVUIVTVAN-UHFFFAOYSA-N 300.314 1.986 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc2c(c1)OCCO2 1630301713 IBGGUSMPKFCEEX-UHFFFAOYSA-N 301.298 1.799 10 10 DDCE O=C(CCNC(=O)c1ccco1)NCc1c(O)cccc1F 1596912660 QMFPIGJLHVQONT-UHFFFAOYSA-N 306.293 1.561 10 10 DDCE O=C1COc2ccc(C(=O)NCc3cc(O)ccc3O)cc2N1 1593868343 JJXFHZHJALKZGY-UHFFFAOYSA-N 314.297 1.359 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NCc1ccc(O)c(O)c1 1937554097 FMDJMCKRQNQXJQ-NEPJUHHUSA-N 324.377 1.480 10 10 DDCE NC[C@@H]1C[C@@H](O)CN1Cc1c(O)cccc1Br 2010535186 QBKPBZLVUFXXIX-DTWKUNHWSA-N 301.184 1.049 10 10 DDCE C[C@@H](CC(N)=O)N(C)c1ccc(CN)c(Br)c1F 2033931458 DODFRADRYWCKHI-ZETCQYMHSA-N 318.190 1.747 10 10 DDCE [N-]=[N+]=N[C@H]1CCCN(CC2(O)CCS(=O)(=O)CC2)CC1 2169655323 VYEZIKFVZKOZEW-NSHDSACASA-N 302.400 1.091 10 10 DDCE C[C@H](N)c1ccc(N2CC3(CNS(=O)(=O)C3)C2)cc1Cl 2176158426 RZNJOGMKXHSCJI-VIFPVBQESA-N 315.826 1.099 10 10 DDCE OCc1ccc(N2CC(n3cnnc3)C2)cc1Br 2050821199 GXUDIDSQYPHROB-UHFFFAOYSA-N 309.167 1.594 10 10 DDCE CN1C[C@@H]2C[C@H](C1)N2c1cc(Br)c(CN)cc1F 2067423691 OZQGRPVMBZWVQQ-AOOOYVTPSA-N 314.202 1.940 10 10 DDCE C[C@H](NCc1ccc(Cl)cc1O)[C@H]1CCS(=O)(=O)C1 2090125393 UVBIIXNGVZAZBX-ONGXEEELSA-N 303.811 1.958 10 10 DDCE Cn1nc(Br)c(COCCc2ccc(N)cc2)n1 2219808773 XYKBMPJARRZELE-UHFFFAOYSA-N 311.183 1.919 10 10 DDCE C[C@H](O)c1ccc(N2CC(S(=O)(=O)C(F)(F)F)C2)cc1 2237659180 WCHCKRNVGOUXLN-QMMMGPOBSA-N 309.309 1.863 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2ccc(CO)o2)s1 2269123554 JVCMJWDTWBCRTI-UHFFFAOYSA-N 320.417 1.429 10 10 DDCE CSc1ncc(CNC(=O)[C@@H](N)Cc2cccnc2)s1 2284493851 GGIJLWMDWDIYFC-NSHDSACASA-N 308.432 1.446 10 10 DDCE CSc1ncc(CN2C(=O)[C@@H](C)NC(=O)[C@H]2C(C)C)s1 2284668605 XLRYWBAYICNQIC-PSASIEDQSA-N 313.448 1.737 10 10 DDCE COc1cc(OC)c(N2CC[C@@](C)(O)[C@@H](O)C2)cc1Cl 2285865197 BOSQCUYVFFXFEQ-UONOGXRCSA-N 301.770 1.679 10 10 DDCE Nc1ccc(OCC(=O)N2CCN(c3ccccn3)CC2)cc1 321944422 FWYQETSBLZWHRN-UHFFFAOYSA-N 312.373 1.391 10 10 DDCE CNC(=O)[C@@H]1CCCN1c1ccc(CN)c(Br)c1 228149959 ZEKNCHIYYLFUFA-LBPRGKRZSA-N 312.211 1.623 10 10 DDCE CCNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1Cl 2358206972 OQTCAIQUQYTQTQ-MCIONIFRSA-N 302.777 1.329 10 10 DDCE CCCN1CCCN(Cc2cc([N+](=O)[O-])ccc2O)CC1=O 189203330 PSHDLWBCMSCSEN-UHFFFAOYSA-N 307.350 1.745 10 10 DDCE C[C@@H]1CN2CCC[C@@H]2CN1C(=O)/C=C/c1ccc(O)c(O)c1 180779866 JVSGFQVUVWFVKY-RCOIXESOSA-N 302.374 1.806 10 10 DDCE COc1cc(Cl)c(N2CCN[C@H](CCO)C2)c(OC)c1 2368288860 VTJBUQNZZKQMCJ-SNVBAGLBSA-N 300.786 1.518 10 10 DDCE C[C@H]1CCC[C@](O)(CNS(=O)(=O)Cc2ccc(N)cc2)C1 87045421 GNMRFVIECIRAMG-SWLSCSKDSA-N 312.435 1.629 10 10 DDCE CC[C@@H]1CN(Cc2cccc(OC)c2O)CCN1C[C@H](C)O 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300.349 1.660 10 10 DDCE C[C@@H](NCc1cc(Cl)ccc1O)[C@H]1CCS(=O)(=O)C1 895156263 UECOCRIZDXIMHO-ZJUUUORDSA-N 303.811 1.958 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@H](NCc2ccc(F)c(F)c2O)C1 2145392646 PJEXYANSWURVQG-VHSXEESVSA-N 305.346 1.726 10 10 DDCE NCCO[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 1972826126 DVSITHXHZSUHKE-GFCCVEGCSA-N 315.211 1.704 10 10 DDCE C[C@H](CO)N(Cc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1 1988088431 DPLIILFYKRUEGV-LLVKDONJSA-N 317.341 1.827 10 10 DDCE C[C@H](CN)N(Cc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1 1988122985 JNIGFPFKUQAXHW-LLVKDONJSA-N 316.357 1.793 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C=Cc1ccnn1C 2053639666 MWDJMLDQHPSWRX-NSHDSACASA-N 301.346 1.592 10 10 DDCE COC(CN(C)c1ccc(CN)c(Br)c1)OC 714628584 VMUSRNKWLABKSS-UHFFFAOYSA-N 303.200 1.963 10 10 DDCE CCCN(c1ccc(CN)cc1F)[C@H]1CCS(=O)(=O)C1 2201909638 XFZNPFDUOJROAZ-LBPRGKRZSA-N 300.399 1.688 10 10 DDCE CSc1ncc(CNC(=O)[C@@H](N)C[C@@H]2CCCO2)s1 2269094283 HNZWBCFKJZPIJV-WPRPVWTQSA-N 301.437 1.378 10 10 DDCE CSc1ncc(CN2CCC(=O)N3CCC[C@H]3C2=O)s1 2284666404 OWACQGKGYDSSSU-JTQLQIEISA-N 311.432 1.588 10 10 DDCE C[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)c1nnnn1C1CC1 2311697801 OQLHZEJNCVMWAC-VIFPVBQESA-N 315.333 1.310 10 10 DDCE OCC[C@H](O)CCNCc1ccc(Br)cc1O 2306860247 LFNQCJFGBAAJMV-LLVKDONJSA-N 304.184 1.378 10 10 DDCE Nc1ccc(Oc2ccc3c(c2)C(=O)N(CC(=O)O)C3=O)cc1 59314919 LIDSYFBSXIGOMQ-UHFFFAOYSA-N 312.281 1.742 10 10 DDCE CC(C)C[C@@H](NC(N)=O)C(=O)NCc1ccc(N(C)C)c(F)c1 57557993 JSNWAHAWMMOQCI-CYBMUJFWSA-N 324.400 1.591 10 10 DDCE CN1CCCc2cc(CNC[C@@H]3CCS(=O)(=O)C3)ccc21 50286755 MMADFBXDNBICRT-AWEZNQCLSA-N 308.447 1.593 10 10 DDCE CCCN(CCCNS(C)(=O)=O)Cc1ccccc1O 68973569 RJKPZJJNOLIZAZ-UHFFFAOYSA-N 300.424 1.544 10 10 DDCE COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)C(C)C 62192114 UAGIQFBQFBCMOH-UHFFFAOYSA-N 305.378 1.568 10 10 DDCE COc1ccc(N2CCN(C(=O)c3cc(N)ccn3)CC2)cc1 71669686 FGCVVRAQTDFTPB-UHFFFAOYSA-N 312.373 1.635 10 10 DDCE CN1CCc2nc(NC(=O)Cc3ccc(N)cc3)sc2C1 71699679 LTKFRGBRLMOTFR-UHFFFAOYSA-N 302.403 1.894 10 10 DDCE CN1CCCN(c2ccc(CN)c(Br)c2)CC1=O 228156990 HYDQQYVFTCMOOR-UHFFFAOYSA-N 312.211 1.576 10 10 DDCE COC(=O)COc1cccc(NC(=O)c2cccc(O)c2O)c1 322908374 FEHSLOSHHNCSSN-UHFFFAOYSA-N 317.297 1.902 10 10 DDCE COc1ccc(N2CCOCC2)cc1NC(=O)[C@@H]1CCCO1 41365016 BDCJBNKEXPRADM-HNNXBMFYSA-N 306.362 1.649 10 10 DDCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CC(N)=O)cc1 266748475 MMQOKAMWMIEUSY-HNNXBMFYSA-N 319.405 1.136 10 10 DDCE CS(=O)(=O)N1CCCC[C@@H]1CNCc1cc(F)ccc1O 809709777 IAVJWKAICNYJCS-CYBMUJFWSA-N 316.398 1.435 10 10 DDCE CC(=O)C(=O)COC(=O)C1(c2ccc(C)cc2)CCOCC1 808516895 PBBKBABUZKSNHR-UHFFFAOYSA-N 304.342 1.745 10 10 DDCE CCO[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)[C@@H]1n1cccn1 819391767 PDTKZMOHIRSWJC-YUTCNCBUSA-N 317.345 1.443 10 10 DDCE C[C@@H]1OCC[C@H]1S(=O)(=O)Nc1ccc(O)cc1C(=O)O 844783311 ZUZGDEFZEHXRKH-WRWORJQWSA-N 301.320 1.010 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1cc(CN)ccc1O 687754771 GZIZLUDONKNKGZ-NSHDSACASA-N 310.350 1.891 10 10 DDCE CC[C@H](O)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 857458365 TUSRGQHRTJSHHZ-ZDUSSCGKSA-N 324.396 1.564 10 10 DDCE COc1cccc([C@@H](C)N[C@H]2CCc3nnn(C)c3C2)c1O 927145440 XHKIXSCGINZIBL-MNOVXSKESA-N 302.378 1.737 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C[C@](C)(O)C3CC3)C2)cc1 855233929 PMAZNWMREYPNLO-KDOFPFPSSA-N 318.417 1.941 10 10 DDCE CN1CCN(c2ccc(CNC[C@H](O)[C@@H]3CCCO3)cc2)CC1 858226973 RTBLXZAKAIUQKH-ROUUACIJSA-N 319.449 1.068 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCCCC(=O)O)C2)cc1 851650297 AXPRCZQAZKSDFX-LBPRGKRZSA-N 321.377 1.438 10 10 DDCE CN(C)C[C@@H]1CN(C(=O)/C=C\c2cnccn2)c2ccccc2O1 760816369 CTBKEUUFXPXGGI-ZPIQOJFGSA-N 324.384 1.846 10 10 DDCE COc1ccc(N2CCN(c3nc(C)nc(N)n3)CC2)cc1F 865601272 NJGXIYRSIXUJTC-UHFFFAOYSA-N 318.356 1.237 10 10 DDCE COC(=O)[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(C)(C)C 779485445 QXTPIDZTIDSXDC-QPBFKRLHSA-N 307.346 1.815 10 10 DDCE CCN(C)c1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1 773755634 UQHJIJPXETWVNK-CQSZACIVSA-N 311.451 1.266 10 10 DDCE CCN(CC)c1ccc(CN(C)[C@@H]2CCC(=O)NC2=O)cc1 799106298 BHRPOTOCTZRDAN-OAHLLOKOSA-N 303.406 1.770 10 10 DDCE COC(=O)N1CC(NC(=O)c2cc3cc(O)c(O)cc3s2)C1 897076742 APFJDEXSJHSBQA-UHFFFAOYSA-N 322.342 1.493 10 10 DDCE CCNCc1cc(F)c(N2CCS(=O)(=O)CC2)c(F)c1 62711054 VDNCDVGBAQXVMY-UHFFFAOYSA-N 304.362 1.309 10 10 DDCE COc1ccc(CNC(=O)NCCc2cnn(C)c2)c(O)c1 792837587 CXNBFKVDVNUOCJ-UHFFFAOYSA-N 304.350 1.176 10 10 DDCE C[C@]1(C(=O)NCc2cc(O)ccc2O)COc2ccccc2O1 1176756157 ZANFSFALHWXXMN-QGZVFWFLSA-N 315.325 1.944 10 10 DDCE COc1ccc(CNC/C=C/CNC(=O)c2cn[nH]c2)cc1C 1320979026 MWAKDLYWAXNEAU-ONEGZZNKSA-N 314.389 1.803 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@](C)(F)C1 1330997615 SOCHWJRIRLSEOB-INIZCTEOSA-N 308.353 1.701 10 10 DDCE C[C@H]1CC(C)(C)CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1261866954 RNIZXSHDHJMUAL-NSHDSACASA-N 302.374 1.881 10 10 DDCE CCN1CC[C@@H](N(C)C(=O)Cc2ccc(O)c(O)c2)C[C@H]1C 1444621174 XQLROOSTWKNDIP-TZMCWYRMSA-N 306.406 1.972 10 10 DDCE O=C(O)c1ccc(S(=O)(=O)NCc2ccccc2O)s1 228402961 IERBZSPVOXQXDJ-UHFFFAOYSA-N 313.356 1.630 10 10 DDCE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)N(C)CCCO 1485388911 AVKPDRALFCTUDR-LLVKDONJSA-N 321.381 1.282 10 10 DDCE Cc1cnc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)cn1 1625996844 YBHIRJUTJHNRRU-UHFFFAOYSA-N 312.333 1.920 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(c2nnc(O)o2)CC1 1568968452 PSLGIQMRERSUSO-UHFFFAOYSA-N 319.317 1.135 10 10 DDCE COC(=O)CC[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1633717499 ZYPVBQOGUKSYET-GFCCVEGCSA-N 321.373 1.832 10 10 DDCE Cc1cc(C)n2ncc(C(=O)NCc3c(O)cccc3O)c2n1 1635842928 BBZDKVLJWVMQKE-UHFFFAOYSA-N 312.329 1.687 10 10 DDCE NCc1ccc(N2CCOC[C@H]2CO)c(Br)c1 167960617 NAIGWXLBCDBCIT-SNVBAGLBSA-N 301.184 1.105 10 10 DDCE CNCc1ccc(N2C[C@@H](O)[C@H](F)C2)c(Br)c1 1944300457 BUZNCFKFTLWZJV-ZYHUDNBSSA-N 303.175 1.688 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980368971 DVUBJLFVOYQYHV-ZDEQEGDKSA-N 322.405 1.721 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(N)cc2)[C@@H](O)C1 1981514140 KEEYCGFDSLLNBK-CABCVRRESA-N 321.421 1.729 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1985015324 LGSZETIFOSNUMZ-CYBMUJFWSA-N 324.377 1.236 10 10 DDCE COC(=O)c1sccc1S(=O)(=O)Nc1ccc(N)cc1 36283876 SUHQXOROENSXJD-UHFFFAOYSA-N 312.372 1.918 10 10 DDCE CNCc1ccc(N2CC([S@](C)=O)C2)c(Br)c1 2004532077 VNTXLFJBCIBJFO-KRWDZBQOSA-N 317.252 1.736 10 10 DDCE CS[C@@H]1CC[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 702015603 JTPOTBXXINKISR-QWHCGFSZSA-N 316.448 1.461 10 10 DDCE O=C(NCc1c(O)cc(O)cc1O)[C@@H]1CC[C@H]2CCCCN12 2063146986 UJLNONKNCLORJX-MFKMUULPSA-N 306.362 1.437 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](O)C12CCCCC2 2064513702 TUHFUSHGDWBFAV-OAHLLOKOSA-N 305.374 1.936 10 10 DDCE COC[C@]1(F)CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 2179796955 FLTLYMKMTDDBGS-ZDUSSCGKSA-N 302.371 1.159 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1O 2170633505 PZMRHGTVPKIMGM-DCAQKATOSA-N 300.424 1.670 10 10 DDCE COc1ccc(Br)c(CN(O)CC(=O)O)c1O 2214869896 YIWWQLYTRFWDKF-UHFFFAOYSA-N 306.112 1.439 10 10 DDCE COc1cc(OC)c(N2C[C@H](N(C)C)[C@H](O)C2)cc1Cl 2285865955 BWKJKTRWFUXTDM-NWDGAFQWSA-N 300.786 1.468 10 10 DDCE CNC(=O)OCCNCc1ccc(C)c(Br)c1O 2327611252 BCVYSSILHFREDP-UHFFFAOYSA-N 317.183 1.909 10 10 DDCE CN(C)C(=O)C1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 170905918 VMJQWGWFLUEUDB-UHFFFAOYSA-N 307.350 1.601 10 10 DDCE C[C@@H](NCCNS(C)(=O)=O)c1ccc2ccccc2c1O 22153615 GOXCNYABLBDGMI-LLVKDONJSA-N 308.403 1.745 10 10 DDCE COC[C@]1(C(=O)N2CCOc3cc(N(C)C)ccc32)CCOC1 410534150 LMQLUHNXSBRHFA-QGZVFWFLSA-N 320.389 1.531 10 10 DDCE Nc1ccc(CCC(=O)OCC(=O)NCC(F)(F)F)cc1 49310374 IUCWHLUVOQTMPL-UHFFFAOYSA-N 304.268 1.423 10 10 DDCE O=C([C@H]1CCCO1)N1CCc2cc(N3CCOCC3)ccc21 41121914 GUVOBYRECULRKE-MRXNPFEDSA-N 302.374 1.591 10 10 DDCE CNCc1ccc(N2CCNC(=O)[C@H]2C)c(Br)c1 234450378 VMQNYMIYAGKUTF-SECBINFHSA-N 312.211 1.493 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCO[C@H]([C@H]3CCCO3)C2)c1 247318239 MIGXXFJYRWKEMA-CABCVRRESA-N 308.334 1.680 10 10 DDCE CNC(=O)CN1CCCN(Cc2ccc(N(C)C)cc2)CC1 367421462 CIPFFOOMDHFCNE-UHFFFAOYSA-N 304.438 1.006 10 10 DDCE C[C@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccccc1O 362238761 OGKBLAJJDVSJCS-WFASDCNBSA-N 304.390 1.823 10 10 DDCE CCN[C@H](c1ccccc1O)[C@H](O)C(C)(C)S(C)(=O)=O 2166704804 LXMNVASHCFABJQ-OLZOCXBDSA-N 301.408 1.227 10 10 DDCE Cc1cc(O)c(CN2CCN(S(C)(=O)=O)CC2)c(Cl)c1 840909249 FEQQEKBZMKDQBF-UHFFFAOYSA-N 318.826 1.431 10 10 DDCE C[C@@H]1C(=O)N(C)CN1Cc1ccc(N2CCOCC2)c(F)c1 843435352 MWHYESKWUZVMLA-GFCCVEGCSA-N 307.369 1.282 10 10 DDCE C[C@H](Nc1nccnc1CN)c1ccc(N2CCOCC2)cc1 1336489417 AHQIXOCYLKDVHJ-ZDUSSCGKSA-N 313.405 1.945 10 10 DDCE COc1cccc(O)c1CNC1CCC(N2CCNCC2)CC1 841088084 WHIPZZVSEGGLPP-UHFFFAOYSA-N 319.449 1.707 10 10 DDCE CN1CCN(c2ccc(CNCCC3(CN)CC3)cc2)CC1 844903486 DEGNOGPJGWBIMN-UHFFFAOYSA-N 302.466 1.657 10 10 DDCE CN1CCN(c2ccc(CN[C@H]3C[C@H]4CC[C@H]3O4)cc2)CC1 926854057 LFLYHDIWKFCMBE-FGTMMUONSA-N 301.434 1.848 10 10 DDCE CCN1OC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O 851897884 RXDMNFCEQMDFGJ-XJKSGUPXSA-N 319.405 1.336 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCCN3C)C2)cc1 855228069 UUSAGSORBMBQPQ-RHSMWYFYSA-N 317.433 1.874 10 10 DDCE COc1ccc(CNC(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c(O)c1 926625250 BEEZPPHROHPXGR-LNSITVRQSA-N 318.373 1.791 10 10 DDCE Cc1cc(O)c(CN2CCO[C@@H](CC(N)=O)C2)cc1C(C)C 863324635 FIPWPMZLULXHRG-AWEZNQCLSA-N 306.406 1.900 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@H]2CCNC23CCC3)c1O 863643087 FZYWEQKSCAPTRA-LBPRGKRZSA-N 307.350 1.683 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3[C@@H]4CCCO[C@H]43)CC2)cc1 779718312 LHMCABJKWAIMKE-GVDBMIGSSA-N 316.401 1.769 10 10 DDCE CON(C(=O)c1cccc(O)c1O)[C@H](C)C(=O)OC(C)(C)C 871246198 LAUZDWYUZSTPQO-SECBINFHSA-N 311.334 1.832 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H](CO)CC(F)(F)F)cc1 1137786855 OQIKQPDSYHDSSP-SECBINFHSA-N 318.255 1.892 10 10 DDCE NC[C@@H]1CN(Cc2cc(Br)cc(F)c2O)CCO1 715765599 IETXLTLPBUGDCI-SNVBAGLBSA-N 319.174 1.453 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCc2ccsc2)cc1 70490876 JIVDXGQIGGEEOI-UHFFFAOYSA-N 312.416 1.829 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](CCF)C1 1328151044 WHVNPQZAKMVQOL-ZDUSSCGKSA-N 322.380 1.949 10 10 DDCE C[C@H](CNC(=O)C1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1358227499 YDPLYHZNGBLPGC-SECBINFHSA-N 317.349 1.494 10 10 DDCE O=C(CCCc1nc(C2CC2)no1)NCc1ccc(O)cc1O 1469160452 RPKZXOHKNIIKAF-UHFFFAOYSA-N 317.345 1.997 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1cccnc1OCCO 1622317428 KBEVJHPCCBKGSL-UHFFFAOYSA-N 302.330 1.431 10 10 DDCE O=C(N[C@@H](CO)[C@@H]1CCOC1)c1cc2cc(O)c(O)cc2s1 1624232479 KXQBOSAQDYCOQY-SCZZXKLOSA-N 323.370 1.440 10 10 DDCE COc1ccc(CNC(=O)c2ccnc(F)c2OC)c(O)c1 1639458819 IUTLLKNLIQIHOQ-UHFFFAOYSA-N 306.293 1.874 10 10 DDCE O=C(Cn1cc([N+](=O)[O-])cn1)NCc1cc(Cl)ccc1O 1644590898 UAOABQYHNMXSCV-UHFFFAOYSA-N 310.697 1.467 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](CN2CCCC2)C1 1586547052 LKTKJQSKYDPEBH-AWEZNQCLSA-N 304.390 1.585 10 10 DDCE CNCc1ccc(N2CCOC[C@H]2CO)cc1C(F)(F)F 168323921 CIVWJRRXCIBGAQ-GFCCVEGCSA-N 304.312 1.622 10 10 DDCE C[C@@H]1CN(S(=O)(=O)N(C)Cc2ccccc2O)[C@H](C)CO1 159648595 JCUKDSPLPLNKIN-VXGBXAGGSA-N 314.407 1.178 10 10 DDCE CC(C)(C)OC(=O)NCC1(O)CN(CCc2ccc(N)cc2)C1 1977927163 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CC(C)Oc1ccccc1C=C1C(=O)NC(=S)N(C)C1=O 2293328972 SDNMHZAICJLDLC-UHFFFAOYSA-N 304.371 1.730 10 10 DDCE COC[C@@H](C)CNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297505845 CVGJVSLCGPMDTQ-HNNXBMFYSA-N 318.417 1.935 10 10 DDCE CN(C)c1ncccc1CNC(=O)C=Cc1ccc(O)c(O)c1 2307986285 KRGJHDWUCGERBP-UHFFFAOYSA-N 313.357 1.888 10 10 DDCE CO[C@@H]1[C@@H](O)C[C@@H]1NCc1ccc(C)c(Br)c1O 2327623896 MFEGKXKMVZOKJP-KWBADKCTSA-N 316.195 1.701 10 10 DDCE Cc1nonc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 108708932 QYRSJXIKBCBMNN-QPJJXVBHSA-N 314.345 1.867 10 10 DDCE C[C@@H](NC(N)=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 52396771 OTOZGXDKWRRLKH-CYBMUJFWSA-N 318.421 1.692 10 10 DDCE COc1ccc(N(C)C[C@@H](O)CN2CCOCC2)cc1Cl 305084387 YEGKWHULCYHFPB-CYBMUJFWSA-N 314.813 1.478 10 10 DDCE CC1(C)CN(Cc2cc3c(cc2O)CCC3)CCS1(=O)=O 177086296 QQEDMADTTSBQME-UHFFFAOYSA-N 309.431 1.890 10 10 DDCE C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)c1ccsc1 61366159 STYDDMVLLWREKR-CABZTGNLSA-N 306.387 1.907 10 10 DDCE CCN(CCC(=O)O)c1ccc(CNCCOC)cc1OC 212702946 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313.329 1.442 10 10 DDCE CCN(CC)c1ccc(CN2CCN3C[C@H](O)C[C@H]3C2)cc1 848926316 ORHDBXQYGATYMU-ZWKOTPCHSA-N 303.450 1.784 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCNC(C)(C)C2)cc1F 841758317 ANAWUEDWDQAGOG-UHFFFAOYSA-N 308.401 1.785 10 10 DDCE O=C(NCCCSc1nccs1)N1CCn2nncc2C1 847336807 SXNIHCSHCCKIMO-UHFFFAOYSA-N 324.435 1.442 10 10 DDCE COC[C@]1(C(=O)OC)CCCN1Cc1ccc(N(C)C)cc1 852636088 ZVGTYEUOVVTDLW-KRWDZBQOSA-N 306.406 1.907 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCCCCO)C2)cc1 854298475 CLCHDMHFYGUUIR-CYBMUJFWSA-N 307.394 1.346 10 10 DDCE CCCCN(Cc1ccccc1O)C[C@H](O)C1(O)CCOCC1 930350671 ITZYZZACZYTNOB-KRWDZBQOSA-N 323.433 1.897 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)[C@H](O)C1CCOCC1 862028053 OAOZTLCSPNEUEP-MRXNPFEDSA-N 316.357 1.344 10 10 DDCE COc1ccc(N2CCN([C@@H]3CCCN(C)C3=O)CC2)cc1 778931827 FJWCUNOUSODLEI-MRXNPFEDSA-N 303.406 1.438 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](C2CCOCC2)C1 1137605746 CPZVNOHTPQWSPV-AWEZNQCLSA-N 305.374 1.915 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CCC(F)CC2)cc1 689415349 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CO[C@H](C1CC1)[C@@H](C)NC(=O)c1cnn2c(O)cc(C)nc12 2062575491 FCPPPBCQDVNGEO-RNCFNFMXSA-N 304.350 1.287 10 10 DDCE Cn1nnc2c1[C@@H](C(=O)NCc1cc(Cl)ccc1O)CCC2 2063158961 SZVLNBNDVUCGFW-NSHDSACASA-N 320.780 1.910 10 10 DDCE O=C(NCc1c(O)cc(O)cc1O)[C@]12C[C@H]1COC21CCC1 2063753881 CHEBYWCBOUFQMC-FVMDXXJSSA-N 305.330 1.379 10 10 DDCE CN[C@@H](C)c1cc(F)c(N(C)C2CS(=O)(=O)C2)c(F)c1 2194704001 KQCAPCKHBQPBOO-QMMMGPOBSA-N 304.362 1.478 10 10 DDCE NCc1ccc(N2C[C@@H]3C[C@H]3[C@H]2CO)c(F)c1Br 2078271047 AQMVPHKQWITAQP-IQJOONFLSA-N 315.186 1.864 10 10 DDCE CSc1ncc(CN[C@@H]2CN(C(C)(C)C)C[C@H]2O)s1 2269094513 IOQBAYHCSPKTMB-GHMZBOCLSA-N 301.481 1.798 10 10 DDCE CC(=O)NN1C(=O)C(=Cc2ccccc2C(=O)O)SC1=S 2293308458 MUBPLRHWIYFHLM-UHFFFAOYSA-N 322.367 1.637 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1CCC2(CNC2)OC1 2315453175 KGZNSLLBDSPEQO-SECBINFHSA-N 312.211 1.964 10 10 DDCE CC(C)S(=O)(=O)N(C)Nc1nc(Cl)c(C(=O)O)s1 2317485812 DXFCXRXUMIYCAA-UHFFFAOYSA-N 313.788 1.492 10 10 DDCE CSc1ncc(CN[C@](C)(C(=O)O)[C@H]2CCNC2)s1 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10 10 DDCE C[C@@H]1CNC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 843126803 WMPNZQXNKQLUBE-ZFWWWQNUSA-N 307.413 1.750 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn2c(n1)CCC2 843852580 XSMLPTDMJVJYER-SNVBAGLBSA-N 301.346 1.602 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cn(C)nn1 854324460 LCKZKOJRFPNDOV-UHFFFAOYSA-N 301.394 1.472 10 10 DDCE CN(C)c1cc(F)c(CN[C@H]2CCc3nnn(C)c3C2)cc1F 922993138 VXHOWYABXYJOLL-NSHDSACASA-N 321.375 1.806 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@](O)(C2CC2)C1 855696190 QDLLWJOLZHUXLB-KNYPUDEUSA-N 303.358 1.875 10 10 DDCE CCC(=O)N[C@H](CCSC)C(=O)N1Cc2cccc(O)c2C1 871201355 TVHDMYZCVTYXLQ-CYBMUJFWSA-N 322.430 1.882 10 10 DDCE COc1cccc(CNC(=O)Nc2nccc(N(C)C)n2)c1O 779346870 CQCYXUOTOLLDSQ-UHFFFAOYSA-N 317.349 1.579 10 10 DDCE CC(=O)N[C@@H](C(=O)N1Cc2cccc(O)c2C1)C1CCCC1 871199052 RORVGLTXAQTBKX-MRXNPFEDSA-N 302.374 1.929 10 10 DDCE NC(=O)C[C@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 779481898 RMLBQLSJRNFGPZ-HOSRBBHYSA-N 304.346 1.368 10 10 DDCE 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DLQFESNSOSSMDE-AWEZNQCLSA-N 320.389 1.282 10 10 DDCE CC(=O)C(=O)[C@](C)(O)C1CCC(NC(=O)OC(C)(C)C)CC1 1919269996 UUCRYCWFSDGHBO-ZEPSKSRBSA-N 313.394 1.979 10 10 DDCE COCCC(=O)N[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1713152316 MJXRJIFWWUJMCJ-SHTZXODSSA-N 306.406 1.777 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](O)c1ccccn1 1567467194 DKEBCFVPHWHYRB-BMIGLBTASA-N 302.330 1.274 10 10 DDCE Cn1nnc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1C(F)F 1636824650 OEUNHUHPDPJCHV-HYXAFXHYSA-N 310.260 1.816 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ncn(-c2ccccc2)n1 1638353026 ZMYHDCSCPKSVLW-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2cc[nH]n2)cc1C 1567001001 RDADBEKNUGLVIT-LBPRGKRZSA-N 302.378 1.635 10 10 DDCE Cc1nnc2n1CCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H]2C 1649097416 ICPXSPJBSBIIDJ-SECBINFHSA-N 302.334 1.144 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)[C@@H](C)NC(C)=O)cc1C 1731576459 JLTONXPKXFOTLZ-CHWSQXEVSA-N 321.421 1.123 10 10 DDCE CCNCc1ccc(N2CCCS(=O)(=O)CC2)c(F)c1 233521896 DHPSUKAKCUMFDA-UHFFFAOYSA-N 300.399 1.560 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl 2144167960 XLLIONXGAZAFTO-HBNTYKKESA-N 314.838 1.841 10 10 DDCE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)Cc1ccc(F)c(F)c1O 876738965 MOQZSLLOVSDINS-IUCAKERBSA-N 307.362 1.924 10 10 DDCE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)Cc2ccc(O)c(O)c2)C1 1963888251 MNENZEGALCGSTL-DGCLKSJQSA-N 321.373 1.640 10 10 DDCE CC(C)S(=O)(=O)CCN(C)Cc1cc(F)cc(F)c1O 1971966005 HGRCIDXIGVIESJ-UHFFFAOYSA-N 307.362 1.925 10 10 DDCE [N-]=[N+]=NCCn1cnc2c(I)ncnc21 1974937794 LBSGFUVSVYHFON-UHFFFAOYSA-N 315.078 1.741 10 10 DDCE Nc1ccc(OC[C@H](O)CN2CCC[C@H](C3OCCO3)C2)cc1 2145858500 MLRUEUXFOSWDTB-DZGCQCFKSA-N 322.405 1.093 10 10 DDCE C[C@@H]1[C@@H](NS(=O)(=O)CCOc2ccc(N)cc2)C1(F)F 2153783396 OBJWQCGSFXQPPH-LDYMZIIASA-N 306.334 1.221 10 10 DDCE C[C@H]1CCN(c2ccc(CN)cc2Br)[C@@H]1C(N)=O 2029785843 IBPALTNBIFXMRK-UFBFGSQYSA-N 312.211 1.608 10 10 DDCE CO[C@@H]1COC[C@H]1CNCc1c(O)cccc1Br 2036604593 GCIDDGVQQRDSRQ-NOZJJQNGSA-N 316.195 1.906 10 10 DDCE CSC[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 706624427 ZOPVUYJRHVHSFU-LBPRGKRZSA-N 300.449 1.784 10 10 DDCE C[C@@](O)(CO)CNCc1cc(Br)cc(F)c1O 715789859 SBGNATNBOKFCQP-NSHDSACASA-N 308.147 1.127 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H](C(N)=O)C2)cc1Br 723171350 QBHKNTDDAFKTJQ-DTWKUNHWSA-N 312.211 1.780 10 10 DDCE C[C@H]1[C@@H](C)N(c2cc(Cl)c(CN)cc2F)CCS1(=O)=O 2177381881 SEAGLZBGHUBIII-BDAKNGLRSA-N 320.817 1.950 10 10 DDCE CS(=O)(=O)[C@H]1C[C@@H](CNCc2cc(F)cc(F)c2O)C1 2192314725 IBHBBRLRMBNOIE-DKTWLAJQSA-N 305.346 1.583 10 10 DDCE O=S(=O)(N1CC(NCc2ccccc2O)C1)C(F)(F)F 2233058127 HVFLUOBAUIPNEQ-UHFFFAOYSA-N 310.297 1.016 10 10 DDCE Nc1ccc(NC(=O)C[S@](=O)C2CC(C(F)F)C2)cc1 2241013636 KMYIEZUBUWEPRP-HHYWTGRLSA-N 302.346 2.000 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)c1cscc1S(C)(=O)=O 2272847588 XCWZWJBJOKIUAH-UHFFFAOYSA-N 302.381 1.924 10 10 DDCE CSc1ncc(CNC(=O)C[C@H]2COC(C)(C)CN2)s1 2284495002 UHXDIZNPZSMCQZ-VIFPVBQESA-N 315.464 1.638 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1nccnc1Cl 2286403096 ACLJZYRXPDHZIW-UHFFFAOYSA-N 313.766 1.656 10 10 DDCE COC(=O)CN(C(=O)/C=C\c1cnccn1)c1cccc(F)c1 492051531 RUJFVBYEJGIPLV-WAYWQWQTSA-N 315.304 1.835 10 10 DDCE CC(C)C(=O)NCCCNC(=O)C=Cc1ccc(O)c(O)c1 2308005813 IPCRXUUNBQRDNZ-UHFFFAOYSA-N 306.362 1.390 10 10 DDCE COc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c1O 105653099 LSPCWRUZSWLHQW-UHFFFAOYSA-N 317.301 1.942 10 10 DDCE Nc1ccc(OC[C@@H](O)CN(CCO)Cc2ccccc2)cc1 302932992 SQLUGTITPZVTHS-KRWDZBQOSA-N 316.401 1.503 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC[C@@](F)(C(F)F)C2)cc1 2362956186 LMPGMQBGPUIEAC-LBPRGKRZSA-N 308.325 1.778 10 10 DDCE CC(C)[C@H](NCc1cc(Br)ccc1O)C(N)=O 223957054 IXQZZMRTVOQBAG-NSHDSACASA-N 301.184 1.754 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2CC[C@H]2S(C)(=O)=O)c1O 2368549161 JQXRFCLYMJZZKE-ZYHUDNBSSA-N 319.810 1.719 10 10 DDCE C[C@@](N)(C(=O)O)c1cc(I)ccc1O 238412833 WLHCQQIMALFQNN-VIFPVBQESA-N 307.087 1.255 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN(C)Cc2cnccn2)c1O 278216926 LCSBJTPEQPCLCJ-UHFFFAOYSA-N 304.306 1.731 10 10 DDCE COc1ccc(CNC(=O)C2(N3CCOCC3)CCC2)c(O)c1 373660761 QEFSSILMVBXBDN-UHFFFAOYSA-N 320.389 1.272 10 10 DDCE CCS(=O)(=O)COc1ccc(CNCCOC)cc1C 2163681176 WXACFFAYJWXYOC-UHFFFAOYSA-N 301.408 1.502 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(OCC(F)(F)F)c1 808529935 ZGNYJRZKCAKBKV-UHFFFAOYSA-N 304.220 1.943 10 10 DDCE COCC[C@H](COC)NC(=O)N(C)Cc1ccc(N(C)C)cc1 811956183 MOFDQUVPVABWSX-OAHLLOKOSA-N 323.437 1.946 10 10 DDCE CCOc1cccc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c1O 827544904 NRGRGHUJRATLME-CQSZACIVSA-N 321.421 1.979 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@@H](N)C(F)(F)F)ccc21 827913664 FYIQJVDFXWUJFD-GFCCVEGCSA-N 301.312 1.575 10 10 DDCE COC(=O)c1cn(CCNCc2c(O)cc(C)cc2Cl)nn1 840943021 DZAXKSULPYLVMT-UHFFFAOYSA-N 324.768 1.522 10 10 DDCE CN(Cc1ccccc1O)C[C@@H]1CN=C(c2cnn(C)c2)O1 929971180 NBKOKLGHKOUEGJ-AWEZNQCLSA-N 300.362 1.403 10 10 DDCE C[C@H]1CCN(S(=O)(=O)NNc2nc3cccnc3s2)C1 857225350 KFGPXFKDTPDIFH-QMMMGPOBSA-N 313.408 1.194 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc(CO)c(Cl)c1 696848146 QQNBNPMHNSXPEE-CHWSQXEVSA-N 319.810 1.081 10 10 DDCE O=C(NCc1ccccc1O)c1cn([C@@H]2CCCNCC2)nn1 852883055 FJUMXSMUZUWTMG-CYBMUJFWSA-N 315.377 1.228 10 10 DDCE COc1cc(O)c(CN2CCN(C3CC3)C(=O)C2)cc1OC 768464363 QAZIMQXDFIMNMB-UHFFFAOYSA-N 306.362 1.216 10 10 DDCE Cc1cccc(CN2CC[C@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)c1O 872254668 BEJIKURPQSPFIX-ZNMIVQPWSA-N 317.389 1.068 10 10 DDCE Cc1ncc(Cl)c(C(=O)OCC(=O)c2ccc(O)c(O)c2)n1 783884245 GUZQZXLMPHGDOR-UHFFFAOYSA-N 322.704 1.889 10 10 DDCE CC(=O)NCC[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1160628502 PHZBYUXXVXPKLF-CYBMUJFWSA-N 320.389 1.405 10 10 DDCE O=C(O)[C@@H](Cc1cncs1)NCc1ccc2c(c1)CCO2 1332269455 JZHQRPRJPQIFKB-CYBMUJFWSA-N 304.371 1.864 10 10 DDCE CC(C)(C)OC(=O)N1CC(OCCNCc2ccc(N)cc2)C1 1900345713 ZIPNIXFHCZFHLF-UHFFFAOYSA-N 321.421 1.994 10 10 DDCE Cc1cncc(/C=C\C(=O)N2CCCc3ccc(C(N)=O)nc32)c1 1527850247 LCWGNQUTZCFURO-DAXSKMNVSA-N 322.368 1.877 10 10 DDCE O=C(NCc1ccc(O)nn1)c1cc2cc(O)c(O)cc2s1 1468303275 LPOLNVLJVJTNRV-UHFFFAOYSA-N 317.326 1.738 10 10 DDCE COc1ccc(CNC[C@@H](C)N(C)C(=O)c2cnn[nH]2)cc1C 1482305770 YHLJMHGSZYQZNA-GFCCVEGCSA-N 317.393 1.372 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@H]2CO[C@@H](C)C2)cc1C 1714726026 BMMMUIILZHPRLI-GOEBONIOSA-N 320.433 1.977 10 10 DDCE CN(C)C(=O)/C=C/C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 1625319082 TZUPCZUMMNLTGF-VAWYXSNFSA-N 315.417 1.888 10 10 DDCE COc1ccc(CNC[C@H](C)CNC(=O)c2cnon2)cc1C 1714434981 AXMLDALEYVCBHN-NSHDSACASA-N 318.377 1.542 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](c2ncon2)C1 1645977963 SVJCIMYLLCNNHL-FVOPLDGLSA-N 315.329 1.900 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CCC(Cn2cncn2)CC1 1650958956 UESYVEQJVTZRLT-UHFFFAOYSA-N 320.324 1.381 10 10 DDCE CN(Cc1ccc(N)cc1)S(=O)(=O)c1c(Cl)cnn1C 230809769 IEOVUJCCMBQZLX-UHFFFAOYSA-N 314.798 1.476 10 10 DDCE O=C(NCc1cccc(O)c1O)c1c[nH]nc1-c1cccnc1 1593739520 OVCKNJPSWICVMD-UHFFFAOYSA-N 310.313 1.813 10 10 DDCE C[C@H](N)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865915893 BQNOXANHVKENIC-WMLDXEAASA-N 318.465 1.743 10 10 DDCE NCCCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 33639532 QJLYAKYDMPQGPH-UHFFFAOYSA-N 322.364 1.931 10 10 DDCE C[C@H]1Cc2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)ccc2O1 899335546 DJFIXYSQHSDUTB-VIFPVBQESA-N 300.314 1.444 10 10 DDCE O=C1NC[C@H](CNCc2ccc(Br)cc2O)O1 1964063619 XKUYFWYXOQRZJL-VIFPVBQESA-N 301.140 1.353 10 10 DDCE CC(C)(C)OC(=O)N[C@](C)(C(=O)O)c1cc(O)c(O)c(O)c1 1951734331 MEPSWYUNKSINGK-AWEZNQCLSA-N 313.306 1.628 10 10 DDCE C[C@H](NC[C@@H]1CCS(=O)(=O)N1C)c1ccc(F)cc1O 1967490825 RWQDYMHNUFHVCC-ONGXEEELSA-N 302.371 1.216 10 10 DDCE O=S1(=O)CC[C@@H]2CN(Cc3cc(F)cc(F)c3O)C[C@H]21 2145071197 KVIPTDDQAGUOFH-PRHODGIISA-N 303.330 1.289 10 10 DDCE CS(=O)(=O)CC1CC(NCc2cc(Cl)ccc2O)C1 1974457891 DNTAOFWPZZDYEP-UHFFFAOYSA-N 303.811 1.958 10 10 DDCE CNCc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)cc1Cl 2148773191 BCPGBSSDWNTLHE-NSHDSACASA-N 316.854 1.930 10 10 DDCE COCCNCc1cnc(Sc2nc(N)cc(O)n2)s1 2155333833 FAZAMIYUBMPCRS-UHFFFAOYSA-N 313.408 1.108 10 10 DDCE COc1cccc(Cn2ncc(CN)c2Br)c1O 2070337001 OQPBTOKZDZXBML-UHFFFAOYSA-N 312.167 1.867 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cc(CO)co1 2101587033 QYTLMNWQPJCPKY-UHFFFAOYSA-N 303.723 1.932 10 10 DDCE Cc1cc([C@H](C)N)ccc1N1CC(S(=O)(=O)C(F)F)C1 2240743116 JTRAFYALAILFCB-VIFPVBQESA-N 304.362 1.841 10 10 DDCE CO[C@@H]1CNCC[C@H]1C(=O)NCc1cnc(SC)s1 2269202275 RLKPECZYPOYSFE-NXEZZACHSA-N 301.437 1.106 10 10 DDCE CSc1ncc(CNC[C@H]2[C@@H](CO)[C@H]3CC[C@H]2O3)s1 2269310507 HHEYSRWJTQKXKD-IRCOFANPSA-N 300.449 1.741 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)c1cncc(CO)c1 2283314612 HWYGKLYUILLIQE-UHFFFAOYSA-N 314.750 1.734 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(Cl)c1 2336469983 CRKZFCUIQIJXEK-PLMOITTCSA-N 300.811 1.593 10 10 DDCE CO[C@@H](C(=O)Nc1c(Cl)ccc2nonc12)[C@H]1CCOC1 1351259609 SBEDAYCNBFQREF-JVXZTZIISA-N 311.725 1.866 10 10 DDCE CN(C)c1ccc(CNC(=O)NCCCN2CCCC2=O)cc1 31726690 XZPCNOIMIIIXMH-UHFFFAOYSA-N 318.421 1.564 10 10 DDCE O=S1(=O)CCN[C@H](c2cc(Br)cc(F)c2O)C1 1952602320 SHYQAUXCKVTSIJ-VIFPVBQESA-N 324.171 1.353 10 10 DDCE C[C@H](N)c1ccc(N2CCOC[C@@H]2CO)cc1Br 235511281 BFMQXFHIFLLWTK-ONGXEEELSA-N 315.211 1.666 10 10 DDCE O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCCOC1 287764495 QWKFOGUNNZFTRD-LBPRGKRZSA-N 324.764 1.989 10 10 DDCE COc1cc(NS(=O)(=O)c2cccc3c2OCO3)ccc1O 800843543 OYJPPVUHPZWMEG-UHFFFAOYSA-N 323.326 1.930 10 10 DDCE CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)OCC(=O)C(C)=O 808530128 NDTFHCAHDGSRDK-OAHLLOKOSA-N 315.366 1.629 10 10 DDCE COc1ccc(N2CCN(CCNC[C@H](O)C3CC3)CC2)cc1 818982074 DRZARMZNAZANKS-SFHVURJKSA-N 319.449 1.178 10 10 DDCE CC1(C)COC(=O)[C@@H]1n1cc(COc2ccc(N)cc2)nn1 905065475 RARGXEPBFLWNRD-ZDUSSCGKSA-N 302.334 1.563 10 10 DDCE C[C@H](O)CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H]1C 588405715 MLKONWFVADXDAF-ODBHDECVSA-N 320.389 1.025 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(C)[C@H]1C 919081995 QDRDQFBSFRGWPD-XJKSGUPXSA-N 304.438 1.953 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H](CO)C3)C2)cc1 923185267 DYGHIKWYFMHIHZ-IHRRRGAJSA-N 319.405 1.344 10 10 DDCE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)cs1 757916524 XEEUOPHPNOIBNW-ZDUSSCGKSA-N 318.398 1.883 10 10 DDCE C[C@@H]1C[C@@H]1c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1 762250634 FCTNYYAKAGQYMB-APPZFPTMSA-N 309.347 1.937 10 10 DDCE COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@H]2CCC[C@@H]21 863329815 GTNKHIOHDNNOKK-WZRBSPASSA-N 319.357 1.902 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCc2n[nH]cc21 763280620 SHAMGUDTAGEIBU-ZYHUDNBSSA-N 315.373 1.988 10 10 DDCE COc1ccc(N2CC[C@H](CNC[C@@H](O)CC(C)(C)O)C2)cc1 872210017 FUDIVBZMELYAKS-ZBFHGGJFSA-N 322.449 1.633 10 10 DDCE COCCN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCOC1 782974976 AZCRAUOIGHQPAU-DOMZBBRYSA-N 309.362 1.055 10 10 DDCE C[C@H](O)c1ccc(N2C[C@H](O)C[C@H]2CO)cc1Br 698125455 DQDQWOXKESADSJ-INTQDDNPSA-N 316.195 1.434 10 10 DDCE COC(=O)C1=CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1300814713 GVLKDVCHQQRZRP-LBPRGKRZSA-N 316.317 1.841 10 10 DDCE Cn1cc(Cl)c(CNC(=O)NCc2c(O)cccc2F)n1 1478666948 VUTXZSKCCUXHKS-UHFFFAOYSA-N 312.732 1.918 10 10 DDCE COc1ccc(CNC2(CNC(=O)c3nc[nH]n3)CC2)cc1C 1733257518 NMUGHBKYWNEYML-UHFFFAOYSA-N 315.377 1.174 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc([N+](=O)[O-])cc1O 1643104408 XHMXPDUZYSFOQB-UHFFFAOYSA-N 304.258 1.642 10 10 DDCE C[C@@H]1CCn2cc(C(=O)NCc3c(O)cccc3O)nc2C1 1645365708 BYACASRIGLVXNT-SNVBAGLBSA-N 301.346 1.807 10 10 DDCE O=C(CNC(=O)c1ccc(O)c(O)c1)OCc1ccccc1 1848439032 WAZFPDPVLPCSGN-UHFFFAOYSA-N 301.298 1.571 10 10 DDCE NC(=O)Nc1ccc(C(=O)NCc2c(O)cccc2F)cc1 1596913014 RVMGFTQIJIBQDU-UHFFFAOYSA-N 303.293 1.952 10 10 DDCE C[C@H](CC(=O)NCc1c(O)cccc1O)NC(=O)C1CCCC1 1597573450 DVHZFBFRUVMTPD-LLVKDONJSA-N 320.389 1.799 10 10 DDCE NCc1ccc(N2CCC[C@H]3C(=O)NC[C@@H]32)c(Br)c1 232278400 OITGZCBOFNXECV-MFKMUULPSA-N 324.222 1.623 10 10 DDCE CCS(=O)(=O)N1CCN(c2ccc(CO)c(Cl)c2)CC1 2143488621 MGRNBWABDKQWQA-UHFFFAOYSA-N 318.826 1.304 10 10 DDCE CS(=O)(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2O)C1 1964601341 SYYLEVJJJPNPGF-GFCCVEGCSA-N 302.371 1.045 10 10 DDCE O=C1C[C@@H](CNCc2cc(Br)ccc2O)CCN1 1969106396 HTPNCJJTAXCNNX-VIFPVBQESA-N 313.195 1.771 10 10 DDCE C[C@@H](O)[C@H](CO)NCc1cc(Br)cc(F)c1O 1969624412 NSMMVBYBJDLQOQ-LDWIPMOCSA-N 308.147 1.125 10 10 DDCE CC(C)(C)OC(=O)NCC1CC(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980369717 MZPGEPWMOBEPGE-RGEVVGMBSA-N 324.421 1.803 10 10 DDCE CC(C)(C)OC(=O)N1CC(NC(=O)c2cc(O)c(O)c(O)c2)C1 1988129884 DVZAWWSCNNEINF-UHFFFAOYSA-N 324.333 1.153 10 10 DDCE CCN(Cc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(=O)NC1=O 2171207655 VFTMKPKAZUTDQZ-SNVBAGLBSA-N 317.172 1.936 10 10 DDCE CS(=O)(=O)CC1CCN(c2ccc(CN)c(F)c2)CC1 380704636 HJJSPRFZZLHZLT-UHFFFAOYSA-N 300.399 1.545 10 10 DDCE O=C(O)C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1O 2174351502 LSPDDOBTWMXPPG-HQJQHLMTSA-N 320.172 1.966 10 10 DDCE CS(=O)(=O)N1CCC[C@H](CN2CCC[C@@H]2CN=[N+]=[N-])C1 2179616284 NMUXEJQXUUPYMD-VXGBXAGGSA-N 301.416 1.433 10 10 DDCE COc1ccc([C@H](C)N[C@H](C)[C@H](C)S(C)(=O)=O)c(O)c1 2170596112 DECLDXIRMGSBKU-VWYCJHECSA-N 301.408 1.873 10 10 DDCE O=C(NCc1ccccc1O)c1nccnc1Br 2256037278 JLFRNNNTRLKDCW-UHFFFAOYSA-N 308.135 1.875 10 10 DDCE CNCCCCNCc1cc(Br)c(O)cc1O 2248028118 FJSYYLQCIFQHAO-UHFFFAOYSA-N 303.200 1.950 10 10 DDCE CSc1ncc(CNS(=O)(=O)CCCNC(C)C)s1 2269085941 IGQBLAAHLPDBEQ-UHFFFAOYSA-N 323.509 1.673 10 10 DDCE CSc1ncc(CNC(=O)NCC=C(C)C(=O)O)s1 2269123490 JGQKEMBDGRXYRV-UHFFFAOYSA-N 301.393 1.695 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](CC2CC2)C(=O)O)s1 2284539802 VNUCSDJWAUODKW-SECBINFHSA-N 315.420 1.918 10 10 DDCE NC1=NC(=S)NC(=O)C1=Cc1ccc(Br)cc1 2294876644 KJPPPUCEALZOQM-UHFFFAOYSA-N 310.176 1.604 10 10 DDCE O=C1NC(=S)N(CCC2=CCCCC2)C(=O)C1=CNC1CC1 2296936175 DSMCYKKUEROSMZ-UHFFFAOYSA-N 319.430 1.756 10 10 DDCE Cc1ccc(CNCC(CO)CO)c(O)c1Br 2307472980 GFJGJWFQRLJAQQ-UHFFFAOYSA-N 304.184 1.154 10 10 DDCE Cc1ccc(CNC(=O)[C@H](C)ON)c(O)c1Br 2307452611 NUGYISYDMJMHPZ-ZETCQYMHSA-N 303.156 1.358 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCOC2(C)C)s1 2346099841 IZWDTEMIPOTHHL-GFCCVEGCSA-N 302.421 1.977 10 10 DDCE C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCCO1 177824585 PGWBMHINNNXLFX-VIFPVBQESA-N 307.306 1.541 10 10 DDCE CS(=O)(=O)N[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 116869179 DEYWPPPAYZEEOZ-AWEZNQCLSA-N 310.419 1.004 10 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COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCC(=O)N(C)C2)c1 738502567 GYPXRABBFDGBHI-WDEREUQCSA-N 321.377 1.382 10 10 DDCE CN(C)c1ccc(CNC(=O)NCC[C@H]2CNC(=O)C2)cc1F 915367001 UOHZMDHUTGKODR-GFCCVEGCSA-N 322.384 1.217 10 10 DDCE C[C@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2O)CS1(=O)=O 850369316 VDAWFBMZDMIDKZ-ONGXEEELSA-N 314.363 1.356 10 10 DDCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1=NO[C@H](CN)C1 852882886 CBMOVBLKJZJFGV-HNNXBMFYSA-N 318.421 1.593 10 10 DDCE CCC[C@](C)(O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855231510 BDNUJJOVAMQXDY-DYVFJYSZSA-N 306.406 1.941 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@@H]3COC[C@@]3(C)C2)cc1 853243981 BHBCOZMIYREVCF-RHSMWYFYSA-N 303.406 1.931 10 10 DDCE O=S(=O)(N=S1(=O)CCCC1)N1Cc2cccc(O)c2C1 867691461 XACPNJDOYZZRLA-UHFFFAOYSA-N 316.404 1.214 10 10 DDCE CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(C)ccc2O)C1 862550041 BGDFOFDKVSTLGB-CYBMUJFWSA-N 312.435 1.462 10 10 DDCE C[C@@H](NC[C@@H](O)CC1(O)CCOCC1)c1ccc(N(C)C)cc1 872206631 YVXFVXFERWSDLQ-PBHICJAKSA-N 322.449 1.696 10 10 DDCE Cc1cc(N(C)C)ccc1CNS(=O)(=O)N1CCC[C@@H]1C 770248796 PWTCNGHPBCJKLA-ZDUSSCGKSA-N 311.451 1.880 10 10 DDCE OCc1nnn2c1CN(Cc1ccc3ccccc3c1O)CC2 894808187 BKJRHWDXEYCKIX-UHFFFAOYSA-N 310.357 1.645 10 10 DDCE O=C(NC[C@@H](O)[C@H]1CCCO1)c1cc2cc(O)c(O)cc2s1 899131173 NQIBBNHLFRPGPO-VXGBXAGGSA-N 323.370 1.582 10 10 DDCE CNC(=O)C1(NC/C=C\c2ccc(N(C)C)cc2)CCOCC1 895885639 UVRNGUCUSPRXIW-PLNGDYQASA-N 317.433 1.651 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1COCCN1c1ccc(N)cc1 1959553902 QCKRBADVZJZFEO-CQSZACIVSA-N 307.394 1.999 10 10 DDCE CCN(CC)[C@H](C)CNC(=O)NCc1ccc(OC)cc1O 792828409 VAAGMXFJKWZMFM-GFCCVEGCSA-N 309.410 1.930 10 10 DDCE CO[C@H](C(=O)NCc1ccc(O)c(O)c1)C(=O)OC(C)(C)C 1150377044 GTBGYFIHTNVULO-GFCCVEGCSA-N 311.334 1.071 10 10 DDCE O=C(NCc1c(O)cccc1O)c1c[nH]nc1-c1ccccn1 1156886068 SICBIMAGZDEQKI-UHFFFAOYSA-N 310.313 1.813 10 10 DDCE Cc1nc(O)nc(O)c1CCC(=O)NCc1c(O)cccc1F 1456093876 OVFDCRRANVTCME-UHFFFAOYSA-N 321.308 1.290 10 10 DDCE Cc1ccncc1/C=C\C(=O)N1CCCc2ccc(C(N)=O)nc21 1531274389 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1.840 10 10 DDCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC2=NCC(=O)N2C)c1 1641523479 NAVNUCFUGOXUBO-UHFFFAOYSA-N 324.384 1.960 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)[C@H](C)C(C)C)cc1C 1667899051 KXPJWKQIHIETME-ZBFHGGJFSA-N 322.449 1.862 10 10 DDCE CN(CCC(=O)O)C(=O)CNCc1cc(Cl)ccc1O 1857868707 XQGRGPLDUSETAC-UHFFFAOYSA-N 300.742 1.068 10 10 DDCE OCCC[C@@H](CO)NCc1ccc(Br)cc1O 1942754016 VQBFQOOGYQTMBL-NSHDSACASA-N 304.184 1.378 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CN(CCCN=[N+]=[N-])CC[C@@H]1CO 1975181075 YVWNNBHIOVSPLC-VXGBXAGGSA-N 313.402 1.894 10 10 DDCE CN(C[C@H]1CCS(=O)(=O)C1)c1c(F)cc(CO)cc1F 2148782841 LRJQCQLTTXLCTA-SECBINFHSA-N 305.346 1.328 10 10 DDCE COC1(CO)CN(c2ccc([C@H](C)N)c(Br)c2)C1 2039552324 LPYYLDRYTUTFLE-VIFPVBQESA-N 315.211 1.666 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CCC=C(Cl)C2)cc1 404538531 IJHUUVOKTQHOTP-UHFFFAOYSA-N 316.810 1.806 10 10 DDCE C[C@@H](c1c(O)cccc1O)N(C)[C@H](C)CCS(C)(=O)=O 2160745387 CHKUKQFVFNBSGB-MNOVXSKESA-N 301.408 1.914 10 10 DDCE N[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)[C@H]2COC[C@H]12 2102140926 LCFDMMKPAQGGOW-JLLWLGSASA-N 303.189 1.857 10 10 DDCE Nc1ccc(OCC(=O)N2CCC[C@H](C3OCCO3)C2)cc1 2089607467 VVCBHSFFIPOFQB-LBPRGKRZSA-N 306.362 1.259 10 10 DDCE N[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1CO 2122390370 IFMUWGCFNXPVSO-CABZTGNLSA-N 305.205 1.841 10 10 DDCE CCCNCCNCc1cc(Br)c(O)cc1O 2248028849 PPKPUIPDTFKEAI-UHFFFAOYSA-N 303.200 1.950 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/c1cnccn1 491924871 JGPJLXVYRNFATH-ZZXKWVIFSA-N 310.357 1.981 10 10 DDCE COCCn1cc(NC(=O)C=Cc2ccc(O)c(O)c2)cn1 2307986323 NPWGEMCUFLCRRW-UHFFFAOYSA-N 303.318 1.593 10 10 DDCE CCOC(=O)C(=O)NCc1ccc(C)c(Br)c1O 2327585233 UQXOKSJPLZOXSA-UHFFFAOYSA-N 316.151 1.642 10 10 DDCE COc1cc(O)c(CN2CC(=O)N[C@@H]3CCCC[C@H]32)cc1OC 245871333 RPVOOPGBJZNITR-CHWSQXEVSA-N 320.389 1.652 10 10 DDCE CCOCc1cc(CNC[C@@H](O)[C@H]2CCCO2)ccc1OC 527759321 SVBMRFVFNKZUGV-NVXWUHKLSA-N 309.406 1.861 10 10 DDCE C[C@@]1(Br)C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 528857762 OELRWGFAGZXKLN-NOZJJQNGSA-N 314.179 1.930 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(Cc2ccccc2)c1C 808504219 WGJOXHNQHBDCIR-UHFFFAOYSA-N 300.314 1.555 10 10 DDCE CN1CCC[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1=O 294887258 IJRNIGRLKHVOIT-AWEZNQCLSA-N 316.401 1.756 10 10 DDCE CN(C)c1ccc(CNC(=O)N=c2cc[nH]cc2N(C)C)cc1 801927541 UETDQUYCCJMKGB-UHFFFAOYSA-N 313.405 1.957 10 10 DDCE CCCN(CC)C(=O)c1ccc(C(=O)OCC(=O)C(C)=O)cc1 808514531 HUUVKEJRRSTFHO-UHFFFAOYSA-N 319.357 1.874 10 10 DDCE COc1ccc(O)c(CNC(=O)COCc2cc(C)no2)c1 801173793 DSUSXBGMCVTKEV-UHFFFAOYSA-N 306.318 1.530 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]12CCCN(CC1)C2 900895246 NAVQJGZAPVYOFS-SFHVURJKSA-N 315.417 1.964 10 10 DDCE CN(C)c1ccc(CNC(=O)CC2(O)CCOCC2)cc1F 906454357 OMHUOROYOGWDDF-UHFFFAOYSA-N 310.369 1.440 10 10 DDCE CC(C)(C)OC(=O)NC1(C(=O)O)CC(c2cc(O)nc(O)c2)C1 1952871830 DQRMRSWGMJLYSA-UHFFFAOYSA-N 324.333 1.718 10 10 DDCE CC(C)(CCN1CCOCC1)NC(=O)c1cccc(O)c1O 912951064 DWCKZIBMXVMEHF-UHFFFAOYSA-N 308.378 1.329 10 10 DDCE CCN1C[C@H](CN2CCOc3cc(N(C)C)ccc32)OC1=O 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Cc1cc(Br)c(O)c(CN[C@H](C)CC(N)=O)c1 781918856 UPEVPOBRHABWPQ-MRVPVSSYSA-N 301.184 1.817 10 10 DDCE CC[C@@H](CNCc1ccc(N2CCOCC2)cc1)C(=O)OC 895119785 FNXRQLTXPFLUMK-HNNXBMFYSA-N 306.406 1.812 10 10 DDCE NC[C@H]1CN(Cc2c(O)cccc2Br)CCO1 706867054 MOUJOURZZVFFCF-VIFPVBQESA-N 301.184 1.314 10 10 DDCE CCN(CC)c1ccc(C=c2sc3n(c2=O)CCN=3)cc1 1084076898 YEMYVAYUUQHLGT-UHFFFAOYSA-N 301.415 1.218 10 10 DDCE Cc1occc1C(=O)NCC(=O)NCc1cc(O)ccc1O 1303225917 SAILWBAEEITWIL-UHFFFAOYSA-N 304.302 1.045 10 10 DDCE CCCC(=O)N1CCC[C@H]1C(=O)NCc1cc(O)ccc1O 1153879462 PIEOBZIMLJDWAR-ZDUSSCGKSA-N 306.362 1.505 10 10 DDCE C=C1c2ccccc2C(=O)N1CC(=O)NCc1c(O)cccc1O 1178905951 TVVPQSWGKCLLEI-UHFFFAOYSA-N 324.336 1.841 10 10 DDCE O=C(NCc1c(O)cccc1F)c1[nH]nc([N+](=O)[O-])c1Cl 1178413743 YIDQDFJPBVLPCP-UHFFFAOYSA-N 314.660 1.746 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1C[C@H]1C 1321666948 YLAGJAZCQRTKHO-BXUZGUMPSA-N 303.406 1.449 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H](S(C)(=O)=O)C2)c(Cl)c1 2123343986 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C[C@H](C(=O)NCc1cc(O)ccc1O)n1nnnc1C(C)(C)C 1644753562 DSKGUTWZYKSLJN-SECBINFHSA-N 319.365 1.259 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1nc[nH]c1C(F)(F)F 1643881939 LIMPNEFAOKMWAZ-UHFFFAOYSA-N 301.224 1.770 10 10 DDCE NC(=O)CN(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1 1931988656 YTRUWIXDYNYYIB-UHFFFAOYSA-N 300.314 1.226 10 10 DDCE Cc1cccc(CNCc2ccc(S(N)(=O)=O)cc2)c1O 164927200 ONNVRCVDAIKBCC-UHFFFAOYSA-N 306.387 1.638 10 10 DDCE CNCc1ccc(N2CCCS(=O)(=O)CC2)c(Cl)c1 234435547 DDPZFZVXDUDEHV-UHFFFAOYSA-N 302.827 1.684 10 10 DDCE Oc1c(F)cc(Br)cc1CN1CCC12CNC2 1946746762 QZZQXOBAVBFPAM-UHFFFAOYSA-N 301.159 1.842 10 10 DDCE CNCc1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 163978907 NTFKFXQAAONWEX-LLVKDONJSA-N 302.827 1.683 10 10 DDCE CNCc1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)cc1Cl 321338590 VOSZQMCQCRFJJC-NWDGAFQWSA-N 300.811 1.435 10 10 DDCE O=S(=O)(NCCNCc1c(O)cccc1F)C(F)(F)F 2160780667 AUXTWMMSEMTXCA-UHFFFAOYSA-N 316.276 1.060 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@@H]1C1OCCO1 2089608574 HITQOLGTSVQRAK-BXUZGUMPSA-N 305.378 1.433 10 10 DDCE O=C(O)C1(Sc2nccs2)CC2(C1)CS(=O)(=O)C2 2327016553 ZAHSGGIJEPNAPB-UHFFFAOYSA-N 305.402 1.267 10 10 DDCE Cc1ccc(CN(C)C(=O)CN(C)C)c(O)c1Br 2327801926 WKAWCCCVMVSOGS-UHFFFAOYSA-N 315.211 1.983 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)C[C@H]3OCC[C@@H]32)s1 2345034894 BESBLLSQVCGLQQ-YGOYTEALSA-N 300.405 1.587 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CNCC[C@@H]2C)s1 2350653429 UHLPWAOBZDZTMA-UFBFGSQYSA-N 301.437 1.407 10 10 DDCE COCCCS(=O)(=O)CCCC(=O)Nc1ccc(N)cc1 111659469 GVSZLZJCSNJNCL-UHFFFAOYSA-N 314.407 1.439 10 10 DDCE NC(=O)CCCCC(=O)NCc1c(O)ccc2c1CCCC2 188940178 OPRIZZOFSVJVNF-UHFFFAOYSA-N 304.390 1.933 10 10 DDCE CCO[C@H]1C[C@](O)(CNCc2cc([N+](=O)[O-])ccc2O)C1(C)C 188911070 JPCNVHQLVOSULX-HOCLYGCPSA-N 324.377 1.956 10 10 DDCE C[C@@H](CCNCc1ccc(N2CCOCC2)cc1)[S@](C)=O 129373697 JMWSLHHLYYSCRJ-LHSJRXKWSA-N 310.463 1.770 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)N[C@H](C)Cn2cncn2)c1 273596394 QSOQZXIZPSKNMT-MNOVXSKESA-N 304.350 1.510 10 10 DDCE CCn1ncc(C(=O)N2CCOc3cc(N(C)C)ccc32)n1 293286331 CFMXEKMXHXDZIM-UHFFFAOYSA-N 301.350 1.403 10 10 DDCE Cc1ccc(C(=O)NC[C@@H](CO)c2cccnc2)c(O)c1O 813719694 PTNRDGBFWUJSDY-LBPRGKRZSA-N 302.330 1.307 10 10 DDCE CO[C@@]1(CN[C@@H]2CCc3cccc(O)c32)CCS(=O)(=O)C1 903363594 PEUKLNGPEQHZNU-IUODEOHRSA-N 311.403 1.173 10 10 DDCE CN(C)c1ccc(CNC(=O)/C=C\Cn2cncn2)cc1F 900434870 UGBPLPHPEIGXSD-ARJAWSKDSA-N 303.341 1.356 10 10 DDCE COc1cc(N2C(=O)CN(Cc3ccccc3O)C2=O)n(C)n1 905501647 PXKJAEGPRZUOFT-UHFFFAOYSA-N 316.317 1.103 10 10 DDCE COC(=O)c1cnc(SC[C@H]2CCC3(COC3)O2)s1 917779099 YHRRTOMIUMDFFJ-MRVPVSSYSA-N 301.389 1.970 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnc(CCC(F)(F)F)s1 910153258 CXVYXZMGOBMFNU-UHFFFAOYSA-N 309.265 1.953 10 10 DDCE COc1ccc(N2CC[C@@H](N3C(=O)[C@H](C)N(C)C3=O)C2)cc1 849358314 VOGCNDDBKSIQBL-WCQYABFASA-N 303.362 1.556 10 10 DDCE CC(C)N(Cc1cc2c(cc1O)OCO2)C[C@H]1CCC(=O)N1 840188132 XWEFKBYIUZGSDF-GFCCVEGCSA-N 306.362 1.610 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CCCN3CCSC[C@H]23)c1 922525738 SJILOVOKNARCQD-ZIAGYGMSSA-N 323.418 1.970 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)C2(N)CC3(CCC3)C2)cc1 852792171 SQMZLJOTLTYLFP-OAHLLOKOSA-N 316.449 1.530 10 10 DDCE COCc1nc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)n(C)n1 853801556 CHGBIRXCXNDDDI-VIFPVBQESA-N 320.349 1.167 10 10 DDCE CO[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 935035972 YZLOFSMGUIBITG-IIAWOOMASA-N 305.374 1.935 10 10 DDCE Cn1nc2c(c1/C=C1/C(=O)NN(c3ccccc3)C1=O)CCCC2 865219427 XOZADAWAYOCIFC-KAMYIIQDSA-N 322.368 1.760 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@H](O)Cc1cnn(C)c1 787123004 YSXHSOHNLGRJRC-MRXNPFEDSA-N 317.389 1.468 10 10 DDCE CC1(C)COC(=O)[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 897744063 JJQVQXBHRVYPFA-LBPRGKRZSA-N 321.354 1.994 10 10 DDCE O=C1CN(c2ccc(OC(F)(F)F)cc2Cl)CC(=O)N1 699635490 QNVAVJHECCYZKD-UHFFFAOYSA-N 308.643 1.701 10 10 DDCE CC(C)(C)OC(=O)N1CC(CO)(NCc2ccc(N)cc2)C1 1918519773 KAPJEMVHUJNLFA-UHFFFAOYSA-N 307.394 1.340 10 10 DDCE CN(CC(=O)NCc1c(O)cccc1F)C(=O)c1cccs1 1303879318 XUDDHYUKLLAPSH-UHFFFAOYSA-N 322.361 1.981 10 10 DDCE CN1CCN(c2ccc(CN(C)CCCCO)cc2F)CC1 1326197103 CISIZTQHVJHYQB-UHFFFAOYSA-N 309.429 1.782 10 10 DDCE C[C@@H]1CNc2c(C(=O)NCCc3ccc(O)c(O)c3)cnn2C1 1347041391 DLPHSQWAJWWRPN-SNVBAGLBSA-N 316.361 1.328 10 10 DDCE O=C1NC[C@H](C(=O)NCc2ccc(O)cc2O)c2ccccc21 1469158875 GPEOHJZDDCSUDC-AWEZNQCLSA-N 312.325 1.241 10 10 DDCE COC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCCO1 1634317000 NLDAILWYBVKTDS-OLZOCXBDSA-N 320.349 1.773 10 10 DDCE C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1CO 1646321173 BWCYGXHVEIZUOI-CMPLNLGQSA-N 304.350 1.940 10 10 DDCE CNCc1ccc(N(C)CCS(C)(=O)=O)cc1C(F)(F)F 167385508 WJIGINDHLHZWEC-UHFFFAOYSA-N 324.368 1.906 10 10 DDCE C[C@@H]1C[C@H](CNCc2ccc(F)cc2O)CCS1(=O)=O 1967900484 DRAHOVUYQCHEOK-GHMZBOCLSA-N 301.383 1.834 10 10 DDCE CC(C)(C)OC(=O)N1CC(NC(=O)CCc2ccc(N)cc2)C1 1977676560 QNYOFCVKYPKJDC-UHFFFAOYSA-N 319.405 1.937 10 10 DDCE CON(CCC(=O)O)Cc1c(O)cccc1Br 1996506560 RDFRMGHDEUDOTL-UHFFFAOYSA-N 304.140 1.993 10 10 DDCE CC(C)S(=O)(=O)C[C@H](C)NCc1ccc(O)c(O)c1O 2170591232 YQHXGBXBUQBTOY-VIFPVBQESA-N 303.380 1.105 10 10 DDCE CC(=O)NC1CN(c2ccc([C@H](C)N)cc2Br)C1 723178132 YLRVGELDOFZOPD-QMMMGPOBSA-N 312.211 1.794 10 10 DDCE COc1cc(Cl)cc(CNC2[C@H]3CS(=O)(=O)C[C@H]23)c1O 2174649986 XACFSDLKGRQNJY-UWVGGRQHSA-N 317.794 1.187 10 10 DDCE OCc1cc(CNCc2ccc(Br)cc2O)[nH]n1 2056560336 FXIOEGCHAAMTKV-UHFFFAOYSA-N 312.167 1.660 10 10 DDCE NC(=O)C1[C@H]2CN(c3ccc(CO)c(Br)c3)C[C@H]12 2081418995 QNDFEAVJSBCOLJ-UWVGGRQHSA-N 311.179 1.109 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)s1 2269094959 VJCWKYDKNUNCJC-HTQZYQBOSA-N 300.405 1.838 10 10 DDCE Nc1ccc(CC(=O)NCc2conc2Br)cc1 2222865907 KQRRGNSCPJPJIS-UHFFFAOYSA-N 310.151 1.878 10 10 DDCE O=C1Nc2cc(N3C[C@H](O)C[C@@H](F)C3)c(Cl)cc2[C@H]1O 2234679402 MANZXRBXRGJNBJ-NQYJQULFSA-N 300.717 1.235 10 10 DDCE CC(C)(C)OC(=O)NCCN(CCO)c1ccc2c(c1)CCO2 2243223298 IHNBNIBXYMGBIB-UHFFFAOYSA-N 322.405 1.945 10 10 DDCE CCCOc1ccc(C=C2C(=O)NC(=O)N(C)C2=O)cc1OC 2313548554 YEYNRRDJJBNJNI-UHFFFAOYSA-N 318.329 1.576 10 10 DDCE Cc1ccc(CN(C)c2nc(=N)[nH][nH]2)c(O)c1Br 2327602907 LTZDJMKTDPLHET-UHFFFAOYSA-N 312.171 1.630 10 10 DDCE Cc1ccc(Cn2cc(C(=O)O)nn2)c(O)c1Br 2327790466 ULHFOKCQCYNPQZ-UHFFFAOYSA-N 312.123 1.801 10 10 DDCE CCN1C(=O)/C(=C/c2cc(OC)ccc2OC)C(=O)NC1=S 6493428 JLOVTWPTELFCDU-DHZHZOJOSA-N 320.370 1.350 10 10 DDCE O=C1Cc2cc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)ccc2N1 62093540 HJILQFHSMVUJFW-HNNXBMFYSA-N 315.373 1.009 10 10 DDCE CCN(CCS(C)(=O)=O)Cc1cc([N+](=O)[O-])ccc1O 178992338 BTOMACLRVFRICQ-UHFFFAOYSA-N 302.352 1.167 10 10 DDCE CCNS(=O)(=O)Nc1cc(N2CCCCC2)ccc1OC 62274181 SCPFMDIGCXTWPO-UHFFFAOYSA-N 313.423 1.952 10 10 DDCE COC[C@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1)OC 272642435 CXQNUKQYOBHWKC-PBHICJAKSA-N 308.422 1.835 10 10 DDCE CN(C)c1ccc(CN2CCC(c3nc(=O)[nH][nH]3)CC2)cc1 289531759 WDVJWZFPYJGPRR-UHFFFAOYSA-N 301.394 1.544 10 10 DDCE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)NCc1ccccc1O)C2 819398447 MNYMUIXIEKUJOA-UBHSHLNASA-N 318.373 1.875 10 10 DDCE C[C@H](C(N)=O)n1nc(Cc2ccc(N)cc2)c2ccccc2c1=O 821186391 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COc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1C 1556157998 PADCOXHZQCZSSX-SECBINFHSA-N 305.334 1.201 10 10 DDCE COC(=O)c1ccccc1CC(=O)NCc1cc(O)ccc1O 1558175283 KPDMTOUGWPIRQF-UHFFFAOYSA-N 315.325 1.743 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCCN1CC(F)F 1641495177 DQCKOGAGKWMATI-NSHDSACASA-N 314.332 1.486 10 10 DDCE Cc1nnc(N(C)Cc2ccccc2O)n1CCC(=O)N(C)C 1751881529 LQQMSFQTJPSPRW-UHFFFAOYSA-N 317.393 1.407 10 10 DDCE CCN1N=C(C)/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C1=O 1865679448 NYGPEVBHTZZLHD-IZZDOVSWSA-N 317.301 1.987 10 10 DDCE COc1cc(Cl)cc(CNC[C@]2(O)CCCOC2)c1O 1971059416 XWFDFYVPORHARN-CQSZACIVSA-N 301.770 1.685 10 10 DDCE C[C@H](O)c1ccc(N(C)CCS(=O)(=O)N(C)C)c(F)c1 2151050059 NRTWTDLRYBXTLN-JTQLQIEISA-N 304.387 1.207 10 10 DDCE C[S@@](=O)C[C@@H](NCc1ccc(O)c(O)c1O)C(C)(C)C 2158657094 MJBFKSQDAULCIW-BIBXISHDSA-N 301.408 1.686 10 10 DDCE COC[C@H]1CN(c2ccc(CO)cc2Br)CCO1 705830281 VRUGQEIMRRURJG-LLVKDONJSA-N 316.195 1.793 10 10 DDCE COC(=O)NCCNCc1cc(Br)cc(F)c1O 715766545 VAGORIRPSCZOAJ-UHFFFAOYSA-N 321.146 1.739 10 10 DDCE CN1CC[C@@H](NCc2cc(Br)cc(F)c2O)C1=O 715818757 RCUHMKIXHPWMJM-SNVBAGLBSA-N 317.158 1.614 10 10 DDCE CN(Cc1ccc(N)cc1)c1nc(=N)[nH]cc1Br 2053509166 MJOFMIPJJODQMO-UHFFFAOYSA-N 308.183 1.870 10 10 DDCE NC(=O)[C@H]1CCC[C@H]1NCc1cccc(Br)c1O 2053788545 IPWNJRMPYIJZKF-GXSJLCMTSA-N 313.195 1.898 10 10 DDCE CO[C@H]1CN[C@](C)(C(=O)NCc2cnc(SC)s2)C1 2269202366 RXOKPYIZVIMZRI-PELKAZGASA-N 301.437 1.248 10 10 DDCE COc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])sn1 2225800037 NOJPBHJLZWCZET-RNFRBKRXSA-N 303.369 1.661 10 10 DDCE CC1(C)C(=O)NC[C@H]1NCc1cccc(Br)c1O 2255123646 SWZJMULEVQBTJU-SNVBAGLBSA-N 313.195 1.769 10 10 DDCE CCN[C@H]1CCN(C(=O)NCc2cnc(SC)s2)C1 2269977313 WBQWEQZTSXPHDF-VIFPVBQESA-N 300.453 1.758 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NC[C@H]1CCN(C2CC2)C1 2307986553 HUPHLNLKLMRTBW-CYBMUJFWSA-N 302.374 1.712 10 10 DDCE CC[C@@H](NC(=O)C=Cc1ccc(N2CCOCC2)cc1)C(=O)O 2311972909 VQYXSGVXGSSGSZ-OAHLLOKOSA-N 318.373 1.516 10 10 DDCE Cc1nn(C)c(C)c1S(=O)(=O)N(C)Cc1ccc(N)cc1 50252693 MKBNYDWXSOLOSI-UHFFFAOYSA-N 308.407 1.440 10 10 DDCE CO[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[C@@H]1C 302536220 GMUVKJBYCLJGDY-LKFCYVNXSA-N 321.333 1.787 10 10 DDCE CCN(CCN=[N+]=[N-])CCS(=O)(=O)N1CCCCCC1 2362981520 OWBVYKHNGFIKSD-UHFFFAOYSA-N 303.432 1.824 10 10 DDCE CC[C@@]1(C)CN(CCC(=O)NCCN)c2ccc(OC)cc2N1 75280949 AKDVNLGIGKUHLH-KRWDZBQOSA-N 320.437 1.561 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2CC[C@@H]2S(C)(=O)=O)c1O 2368549159 JQXRFCLYMJZZKE-JQWIXIFHSA-N 319.810 1.719 10 10 DDCE COCCc1noc(CN(C)Cc2ccc(OC)cc2O)n1 93587556 LOPGOHJAWNDMFC-UHFFFAOYSA-N 307.350 1.605 10 10 DDCE CCN[C@@H]1C(=O)Nc2cc(N3CCN(C)CC3)c(Cl)cc21 92749770 CQHSQBPMLYYYMP-AWEZNQCLSA-N 308.813 1.695 10 10 DDCE CC(C)(C)OC(=O)N1CCc2c(N3CC(O)C3)ccc(N)c2C1 384057434 KMLKKDZLARXTHT-UHFFFAOYSA-N 319.405 1.743 10 10 DDCE CC(=O)NCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 253494670 YJKRGSNNPQVRBF-OAHLLOKOSA-N 320.389 1.426 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@@H](CC(N)=O)C2)cc1F 367470141 QMNFGIGPDAJNRI-LBPRGKRZSA-N 322.384 1.299 10 10 DDCE COc1cc(N2CC[C@]3(CNC(=O)C3)C2)c([N+](=O)[O-])cc1OC 279215859 YRLHSDADYOYFAZ-HNNXBMFYSA-N 321.333 1.328 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CCCCN1Cc1ccccn1 808540753 XDEOZTMSTANDEF-CQSZACIVSA-N 304.346 1.137 10 10 DDCE COc1cc(C(=O)N[C@@H]2CCCC3(C2)OCCO3)cc(OC)n1 2166937596 LIEJZZBMZHACSV-GFCCVEGCSA-N 322.361 1.514 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CSCN2C(C)=O)c1 728982987 RAUKHUNLVGEXJK-NOZJJQNGSA-N 324.402 1.499 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CC12CC2 822755976 OUTITCYDFDDOSL-OAHLLOKOSA-N 301.390 1.875 10 10 DDCE CC1CCN(c2ccc(CNC(=O)[C@H]3COC(=O)N3)cc2)CC1 823195750 KLVURDVDGFTJIW-OAHLLOKOSA-N 317.389 1.648 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](CCCO)C3)cc2N1 829584845 QCIDLAFSABVXHH-SNVBAGLBSA-N 321.333 1.525 10 10 DDCE COC(=O)[C@@H]1O[C@@H](C(=O)NCc2c(O)cccc2F)C[C@H]1C 928709960 OINBRTUMWSAVRA-BZHVJNSISA-N 311.309 1.114 10 10 DDCE O=C1CCC2=C(CCN(Cc3cc4c(cc3O)OC[C@@H]4O)C2)N1 853519637 GZSKUFZDIYBJEZ-HNNXBMFYSA-N 316.357 1.188 10 10 DDCE CC(C)O[C@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCOC1 928753682 VDBIEHQSTYGENP-AATOQMJSSA-N 321.373 1.811 10 10 DDCE CC[C@@H](NC[C@]12COCCN1C(=O)OC2)c1ccccc1O 866521584 NRVWQTOXGFNVBO-CZUORRHYSA-N 306.362 1.654 10 10 DDCE C[C@@H](O)[C@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCO1 862393951 AEEXTRFHOLMMPT-MEBBXXQBSA-N 300.349 1.612 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@H](O)CC(F)(F)C2)cc1 786687303 KKTYATJPYSDARB-CYBMUJFWSA-N 313.348 1.664 10 10 DDCE CCC(=O)NCC(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1 1265758525 FOHLLZMMIPRFCM-CYBMUJFWSA-N 321.421 1.124 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@H](C)CC(N)=O)cc1C 1267412674 PPQRPHIYGOSIKA-CYBMUJFWSA-N 321.421 1.063 10 10 DDCE C/C(=C\C(=O)N(CCC(N)=O)c1ccccc1)c1cnccn1 1352532155 OTNCIGRIXRWYIR-ACCUITESSA-N 310.357 1.789 10 10 DDCE CCOC(=O)[C@H](CC)N(C(=O)Cc1ccc(O)c(O)c1)C1CC1 1466943566 BNPOQPLFSNCWSL-ZDUSSCGKSA-N 321.373 1.973 10 10 DDCE O=C(NCc1ccc(Br)cn1)c1cc(O)nc(O)c1 1927030317 QSSZMQDNQLYQSF-UHFFFAOYSA-N 324.134 1.580 10 10 DDCE CC[C@@H](O)Cn1cc(C(=O)NCc2cccc(Cl)c2O)nn1 1637231868 AXCFHIBERALDMM-SNVBAGLBSA-N 324.768 1.338 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)CCCc2nn[nH]n2)c1 1566374758 SRSLJIHOGJSCCM-SECBINFHSA-N 305.338 1.114 10 10 DDCE CC(=O)Nc1ccc(C(=O)NCc2cccc(O)c2O)nc1 1643812347 GKLYHWSCWMVRDG-UHFFFAOYSA-N 301.302 1.381 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)[C@@H]2CCCO2)cc1C 1662157324 QHNWOSPJIGJWDW-CJNGLKHVSA-N 306.406 1.777 10 10 DDCE C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NCCF 1676489016 XSEUWTUCWGHYDS-JTQLQIEISA-N 309.345 1.869 10 10 DDCE CCN1/C(=C\C=C2C(=O)NC(=O)NC2=O)Sc2ccccc21 206828431 LDQSETORXCHALP-XYOKQWHBSA-N 315.354 1.752 10 10 DDCE CC(C)[C@@H](O)CNC(=O)NCc1ccc2c(c1)CCCN2C 154293864 BIRBAYJWVRQFGN-INIZCTEOSA-N 305.422 1.885 10 10 DDCE Oc1c(F)cc(Br)cc1CN1C[C@H]2C[C@H]1CN2 1944213288 HVIHPLCQRXZRET-ZJUUUORDSA-N 301.159 1.840 10 10 DDCE CS(=O)(=O)C[C@H]1C[C@H](NCc2ccc(Cl)cc2O)C1 1974477644 ZSZDBUNKADUMSV-OTCDBFHCSA-N 303.811 1.958 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](NC(=O)Cc2ccc(N)cc2)CO1 1977687950 BBEMHJXVCBKRQZ-ZDUSSCGKSA-N 321.377 1.478 10 10 DDCE O=C(NCc1ccccc1O)c1nnc(Br)s1 2011490804 BRJCWIDJLADOBP-UHFFFAOYSA-N 314.164 1.936 10 10 DDCE NCc1cc(F)c(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 2177386078 VPXTVNKXRWBURB-OQPBUACISA-N 318.801 1.561 10 10 DDCE Cc1cc(NS(=O)(=O)CCC(F)(F)CO)c(C)cc1O 2178718282 HTTCRSJZJZIGLC-UHFFFAOYSA-N 309.334 1.768 10 10 DDCE CCCS(=O)(=O)C[C@](C)(O)[C@H](NC)c1ccccc1O 2170548756 RLWMHWBJVKQWJM-KGLIPLIRSA-N 301.408 1.229 10 10 DDCE C[C@H](O)c1cc(F)c(N(C)CCCS(C)(=O)=O)c(F)c1 2194516516 UZCQWYRGVDCJQV-VIFPVBQESA-N 307.362 1.889 10 10 DDCE C[C@H](NCc1cc(Br)ccc1O)c1nc(=O)o[nH]1 2057687281 RGVILBBJIFIZON-LURJTMIESA-N 314.139 1.682 10 10 DDCE C[C@]1(O)CN(c2ccc(CN)c(Br)c2)CC[C@H]1O 2081724556 VEJIZSDELZMWGL-OLZOCXBDSA-N 315.211 1.230 10 10 DDCE O=S1(=O)CCN(c2ccc(CO)c(Cl)c2)CC12CCC2 2279591240 GUEIBVHIKKCSNW-UHFFFAOYSA-N 315.822 1.990 10 10 DDCE C[C@@H]1CN2CCC[C@H]2CN1C(=O)C=Cc1ccc(O)c(O)c1 2307987187 JVSGFQVUVWFVKY-OCCSQVGLSA-N 302.374 1.806 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCOC[C@@H]2C)s1 2345461593 QQRPNZOEVVYESW-UFBFGSQYSA-N 302.421 1.834 10 10 DDCE CC(C)C(=O)NCCN[C@@H](C)c1ccc(N2CCOCC2)cc1 178221747 RXJZGPWGCXWWDB-HNNXBMFYSA-N 319.449 1.946 10 10 DDCE CCN(Cc1ccc(N)cc1)S(=O)(=O)Cc1cc(C)on1 35361239 UAVZLOPIDBPWKG-UHFFFAOYSA-N 309.391 1.917 10 10 DDCE CC1(C)COCCN1S(=O)(=O)CCOc1ccc(N)cc1 70490761 TWDHRSYFOKNNBT-UHFFFAOYSA-N 314.407 1.088 10 10 DDCE C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)c1cccs1 40460075 OCGUTKPPAJYIAU-ONGXEEELSA-N 306.387 1.907 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCCCN1CCCC1=O 588403624 RKALSFHJJDPFCZ-ALCCZGGFSA-N 304.346 1.240 10 10 DDCE CCN(CC)c1ccc(CNC(=O)Cc2cnnn2C)cc1F 826941401 JDXHXUPKMCCJAO-UHFFFAOYSA-N 319.384 1.659 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@@]1(N)C[C@@H]1C(=O)O 1953059453 YHCXVVIPFHWZMT-ANRSDYALSA-N 308.334 1.998 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H](OC)[C@@H]2CCOC2)c1 830540127 FGWLKAZWTIXKFB-RWSFTLGLSA-N 309.362 1.630 10 10 DDCE CO[C@H]1C[C@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)C1 925076332 WHEHIUGQYIQVFI-AULYBMBSSA-N 304.346 1.581 10 10 DDCE CCN(C)c1ccc([C@H](C)NC[C@@H](O)CS(C)(=O)=O)cc1 927032144 PUZBZBDXORNXTD-SWLSCSKDSA-N 314.451 1.199 10 10 DDCE COC(=O)c1coc(C(=O)NCc2cc(OC)ccc2O)c1 759959619 WJTRHODMDWCQHC-UHFFFAOYSA-N 305.286 1.710 10 10 DDCE COc1ccc(CNS(=O)(=O)CC2(OC)CCC2)c(O)c1 867218190 XXIWNBVNSYAXTJ-UHFFFAOYSA-N 315.391 1.389 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C[C@H]1CCC2(COC2)O1 930125352 CHFOEPREALGZGV-CQSZACIVSA-N 304.390 1.899 10 10 DDCE CCN(CC)c1ccc(CNC(=O)CC2CS(=O)(=O)C2)cc1 864926758 OEFLKLMNUWQWNH-UHFFFAOYSA-N 324.446 1.584 10 10 DDCE C[C@H](NC(=O)NCCOC[C@@H]1CCCO1)c1ccccc1O 868263105 SDKRPLKAAOFLQO-STQMWFEESA-N 308.378 1.948 10 10 DDCE COc1ccc(CN[C@H](Cc2ncccn2)C(=O)O)cc1C 1118224445 GYNQXCZFCGEAMS-CYBMUJFWSA-N 301.346 1.579 10 10 DDCE CC(=O)c1cc(F)cc(CN(CCO)[C@@H]2CCO[C@H]2C)c1O 796577655 HPJKQNWMTDFRHB-XHDPSFHLSA-N 311.353 1.706 10 10 DDCE CN=c1[nH]cc(Br)c(=NCCc2ccc(N)cc2)[nH]1 2117367392 GLXQMFZLZYOWPM-UHFFFAOYSA-N 322.210 1.361 10 10 DDCE O=S1(=O)C[C@@H]2C(CNCc3ccc(Cl)cc3O)[C@H]2C1 2117986944 BRUJCQWOJDVUDC-VXGBXAGGSA-N 301.795 1.426 10 10 DDCE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)C(=O)N(C)Cc1ccccc1O 1331856563 UUNJFAWAGSVPCG-UQOMUDLDSA-N 316.401 1.759 10 10 DDCE C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)C(=O)N1Cc2cccc(O)c2C1 1331874201 BMCPHQIVVCDDMS-ZZVYKPCYSA-N 314.385 1.643 10 10 DDCE NS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(O)cs2)c1 1446721925 TYGAJHRCDFKHAX-UHFFFAOYSA-N 314.344 1.059 10 10 DDCE CNC(=O)[C@@H](C)N(C)Cc1ccc(Br)cc1O 1916800905 HQQWGVDHSMFHKK-MRVPVSSYSA-N 301.184 1.721 10 10 DDCE C/C(=C/C(=O)N1C[C@@H](C(N)=O)Cc2ccccc21)c1cnccn1 1455969793 GMGFIVKJLKSEHM-UNJUUPHPSA-N 322.368 1.571 10 10 DDCE Cn1cc(-c2nn(C)cc2NC(=O)c2cccc(O)c2O)cn1 1556495422 FBVJFUFZRCWSNK-UHFFFAOYSA-N 313.317 1.484 10 10 DDCE O=Cc1ccc(OCCC(=O)NCc2ccc(O)cc2O)cc1 1557084998 XRKZRUJNDFOJTJ-UHFFFAOYSA-N 315.325 1.996 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCCCN1C1CC1 1556500039 UVDPSPNKDKMFHY-CQSZACIVSA-N 304.390 1.773 10 10 DDCE CCCCCN(CC(N)=O)C(=O)c1ccc(N=NC(N)=O)cc1 1566750052 UGNMGLMRHORKSK-UHFFFAOYSA-N 319.365 1.967 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCc2nn[nH]c21 1636058781 QSYRBCJINNTJJK-SNVBAGLBSA-N 321.377 1.732 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)c(F)c1 1643881868 INFBVKDQXAYCIO-UHFFFAOYSA-N 319.288 1.954 10 10 DDCE O=C(Cc1cn2c(n1)CCCC2)NCc1cc(O)ccc1O 1644753785 JSBYPRYDNJHAJT-UHFFFAOYSA-N 301.346 1.490 10 10 DDCE COc1ccc(C(=O)NCc2c(O)cccc2O)cc1[N+](=O)[O-] 1647178879 WMQQNPRHYNBSJY-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cnc2[nH]c(O)nc2c1 1645362921 FUGNEQBDOAXNCE-UHFFFAOYSA-N 300.274 1.005 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC1CCN(CC2CC2)CC1 1646590815 COYBBJCBMHTCLY-UHFFFAOYSA-N 318.417 1.879 10 10 DDCE Cc1ccc(C(=O)NC[C@@H]2CCN(CC(F)F)C2)c(O)c1O 1643441695 QZWIESQUULYWHH-JTQLQIEISA-N 314.332 1.723 10 10 DDCE NCc1ccc(N2CCOC[C@@H]2CO)c(Br)c1 167960507 NAIGWXLBCDBCIT-JTQLQIEISA-N 301.184 1.105 10 10 DDCE COC(=O)[C@H](O)CNC(=O)c1cc(C)n(-c2ccccc2)c1C 155353371 IMDLJDLVCKTEOL-OAHLLOKOSA-N 316.357 1.358 10 10 DDCE COc1cc(/N=N/N2CCC(C(N)=O)CC2)cc(OC)c1OC 1860494292 ZVSXTNPKFUPXBG-ISLYRVAYSA-N 322.365 1.908 10 10 DDCE COc1ccccc1CNC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878403 AHOSUGUJAOAHDT-UHFFFAOYSA-N 324.344 1.183 10 10 DDCE NC[C@H]1C[C@H](Nc2c(N)cccc2Br)CCO1 2016897537 CVJSCEXHTHHREP-RKDXNWHRSA-N 300.200 1.950 10 10 DDCE Cn1ncc([C@@H](O)[C@H](N)c2ccccc2O)c1Br 2031155090 UMPCDYODQBRRBW-GHMZBOCLSA-N 312.167 1.622 10 10 DDCE Cn1[nH]c(=NC(=O)Cc2ccc(N)cc2)cc1Br 2038258574 GFJCDDFQELXPRU-UHFFFAOYSA-N 309.167 1.368 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC2CC3(CSC3)C2)cc1 717942607 RDFCXMLVMPXJBS-UHFFFAOYSA-N 312.460 1.831 10 10 DDCE Cn1cc(Br)c(CNCc2ccc(O)c(O)c2)n1 393334047 VTYALVSXSZALGI-UHFFFAOYSA-N 312.167 1.884 10 10 DDCE COc1cccc(O)c1CN=c1[nH]n(C)cc1Br 2042579382 NKGXXWYTDABLMP-UHFFFAOYSA-N 312.167 1.931 10 10 DDCE N[C@@H]1C[C@@H](O)CN(Cc2cc(Br)cc(F)c2O)C1 2049114473 RZLLGZDHYDDGQH-NXEZZACHSA-N 319.174 1.188 10 10 DDCE O=C(Nc1cnc(Br)nc1)c1ccc(O)c(O)c1 2054488978 CKILEBNSQOCEOX-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE CC1(C)[C@@H](O)[C@H](O)CN1c1ccc(CN)cc1Br 2060874971 LXWQWEGZYSRQCC-NEPJUHHUSA-N 315.211 1.228 10 10 DDCE C[C@@]1(O)CCN(c2ccc(CN)cc2Br)C[C@H]1O 2077302503 RCOLYFBLBAAALS-CHWSQXEVSA-N 315.211 1.230 10 10 DDCE COC1CC(CO)(NCc2ccc(Br)cc2O)C1 2077896495 ABTXXOPHFGTBQH-UHFFFAOYSA-N 316.195 1.784 10 10 DDCE CS(=O)(=O)CCN(c1ccc(CO)cc1Cl)C1CC1 2113813937 MOIWPQNETSUOQZ-UHFFFAOYSA-N 303.811 1.846 10 10 DDCE CC(F)(F)CC[S@@](=O)C[C@H](O)COc1ccc(N)cc1 2283692528 BITOGAZILOHNMF-BIBXISHDSA-N 307.362 1.803 10 10 DDCE COC[C@H](NCc1ccc(C)c(Br)c1O)C(=O)O 2327583218 KVUSBYBGYCRQNT-VIFPVBQESA-N 318.167 1.652 10 10 DDCE Cc1ccc(CNCc2nnnn2C)c(O)c1Br 2327793145 SNKAHBZKIOOJOH-UHFFFAOYSA-N 312.171 1.276 10 10 DDCE CN1CCCc2cc([C@@H](NCC(F)(F)F)C(N)=O)ccc21 50287682 XSTOBBMMCZCUNC-GFCCVEGCSA-N 301.312 1.747 10 10 DDCE COc1cc(Cl)c(N2CC[C@@H](OCCO)C2)c(OC)c1 2368111687 VBFVXSGADNWDOX-SNVBAGLBSA-N 301.770 1.945 10 10 DDCE COc1ccc(N2CCN(CC3(O)CCOCC3)CC2)cc1 269416797 YJBOHHOYUOTNET-UHFFFAOYSA-N 306.406 1.359 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3C[C@H]4COC[C@H]4C3)cc2N1 367944013 QEAOPCIXOHWFDG-DTORHVGOSA-N 305.290 1.008 10 10 DDCE COc1cc(O)c(CN2CC(F)(F)C[C@H]2CO)cc1OC 364665004 WTFLPWLBLFCZQI-JTQLQIEISA-N 303.305 1.611 10 10 DDCE CCOc1cccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1O 363263803 BTXBIJJITZNADP-IACUBPJLSA-N 304.390 1.890 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc2[nH]nnc12 549769335 PXPHIFNQERABNT-UHFFFAOYSA-N 324.344 1.458 10 10 DDCE COC(=O)c1ccc(COC(=O)c2cccc(O)c2O)nc1 803440136 JLDKRTJMFOGJLN-UHFFFAOYSA-N 303.270 1.636 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(-c2cccc(Cl)c2)n1 808534247 IYGPPNPRUPEPIV-UHFFFAOYSA-N 307.693 1.236 10 10 DDCE CNC(=O)[C@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 817124013 DBMZDARYJWDYGJ-VIFPVBQESA-N 309.322 1.184 10 10 DDCE C[C@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)CCS1 137082855 HSQUTQIQGQXNCQ-NSHDSACASA-N 316.448 1.415 10 10 DDCE CN(C)c1ccc(/C=C/CNCCCn2cc(CO)nn2)cc1 835052590 HLWLOHKRLWBONR-HWKANZROSA-N 315.421 1.530 10 10 DDCE Cc1cc(N(C)C)ccc1CN1CCN(CCN(C)C)C(=O)C1 846014879 UPRZFVASXHHIHG-UHFFFAOYSA-N 318.465 1.267 10 10 DDCE CCN(OC)C(=O)CNC(=O)NCc1cc(Cl)ccc1O 845282986 WOBHFAHRSNLBMM-UHFFFAOYSA-N 315.757 1.255 10 10 DDCE CCO[C@@H]1COCC[C@H]1CC(=O)NCc1ccc(O)cc1O 910957053 OLEYVXOWJHCPEU-XHDPSFHLSA-N 309.362 1.546 10 10 DDCE C/C=C/[C@@H](O)C(=O)N(CC(=O)OCC)Cc1ccccc1O 911304023 SNAXDOKADYVILL-UFZAZABTSA-N 307.346 1.221 10 10 DDCE COC(=O)[C@@H]1C[C@H](O)CN(Cc2cc(Cl)cc(C)c2O)C1 843435612 WJTUTWZHMMISTL-YPMHNXCESA-N 313.781 1.710 10 10 DDCE Cc1cccc(CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1O 843426337 TVNWFARLEYCZPK-HNNXBMFYSA-N 311.403 1.090 10 10 DDCE C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)C(C)(C)CO 926855467 UTXMSXZNORBGSC-OAHLLOKOSA-N 305.466 1.935 10 10 DDCE CCCOc1ccc(CNC[C@H](O)CS(C)(=O)=O)cc1C 922825943 SQJNGEKBXKQPTL-AWEZNQCLSA-N 315.435 1.279 10 10 DDCE Cc1ccc(O)c(CNC(=O)NCCOC2CCOCC2)c1 927503401 YLFOXZGLVNBTRX-UHFFFAOYSA-N 308.378 1.695 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNCC2(C(=O)O)CCC2)c1O 854244568 LFFVRPNZUIIMGH-UHFFFAOYSA-N 310.306 1.654 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H](C)n3ncnc32)c1 853736602 HTOZLBWQICTWDT-SKDRFNHKSA-N 317.349 1.498 10 10 DDCE CO[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCOC1 854324119 GXYZBEQSYMPXIS-HOCLYGCPSA-N 306.406 1.763 10 10 DDCE CO[C@@H](C(=O)NCc1cc(C)ccc1O)C(=O)OC(C)(C)C 869411286 UBOMHYGHCIKRIZ-ZDUSSCGKSA-N 309.362 1.674 10 10 DDCE COc1ccc(O)c(CNC(=O)Cc2cnn3c2CCCC3)c1 866767874 ZNTJOFZXASQXNG-UHFFFAOYSA-N 315.373 1.793 10 10 DDCE Oc1cc2c(cc1CN1CC[C@]3(CCCOC3)C1)[C@@H](O)CO2 789543852 CNNKMLHPOXRODV-DOTOQJQBSA-N 305.374 1.821 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1CN([C@H]2CCOC2)C1 895485499 VXGINPBMHCRGJS-KRWDZBQOSA-N 317.433 1.432 10 10 DDCE Oc1c(Br)cc(Cl)cc1CN[C@H]1COC[C@@H]1O 708156280 HWCPMZMPRLDRPO-UWVGGRQHSA-N 322.586 1.657 10 10 DDCE CS(=O)(=O)CC1(CCNCc2cc(F)ccc2O)CC1 692819137 KSMUQVOQWTWXHB-UHFFFAOYSA-N 301.383 1.836 10 10 DDCE O=C(C[C@H]1COc2ccccc2O1)NCc1cc(O)ccc1O 1303225267 DRGVQNLKTWILBL-ZDUSSCGKSA-N 315.325 1.944 10 10 DDCE O=C1N[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]2O1 2120405112 KZPQXIAPXVSAHP-ZJUUUORDSA-N 303.145 1.992 10 10 DDCE CN(NCc1c(O)cccc1Br)S(C)(=O)=O 1901376290 YMNZSWMGGVMOSQ-UHFFFAOYSA-N 309.185 1.051 10 10 DDCE CCOC(=O)N(C)CCCC(=O)NCc1cccc(O)c1O 1350315067 JZWBHSZPCVJOOE-UHFFFAOYSA-N 310.350 1.583 10 10 DDCE CCOC1CC(O)(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1467537884 MWHAMANJTAVQIG-UHFFFAOYSA-N 320.349 1.509 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2cn[nH]c2)cn1 1545639381 MZTQTSAWEANYDW-UHFFFAOYSA-N 310.313 1.813 10 10 DDCE Cn1ccc(=NC(=O)c2ccc(N=NC(N)=O)cc2)nc1O 1640532320 ZPJGMEVRAOXENH-UHFFFAOYSA-N 300.278 1.029 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)Cn2cccn2)cc1C 1662161263 HAGYLKJBRNUKBP-CQSZACIVSA-N 316.405 1.495 10 10 DDCE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H](C)c1ccccc1O 1685372271 WUVVYALZDFJXON-FOGDFJRCSA-N 312.391 1.186 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@H]2CCO[C@@H]2C)cc1C 1691528172 IBNRBCRBJGWAIM-ZBFHGGJFSA-N 320.433 1.977 10 10 DDCE O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1CCO 16904900 KRQCDDSYKACIKR-YFHOEESVSA-N 310.356 1.788 10 10 DDCE C[C@H](CNC(=O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C 1977681033 WEZRJLOVVRCYKY-LLVKDONJSA-N 323.393 1.677 10 10 DDCE CS(=O)(=O)c1sccc1[C@@H](O)[C@@H](N)c1ccccc1O 2150483301 XVRGGZBFFITVII-NWDGAFQWSA-N 313.400 1.591 10 10 DDCE CS(=O)(=O)[C@@H]1CCCN(c2ccc(CN)c(F)c2F)C1 312896497 XRJWKYWFLVQCQF-SNVBAGLBSA-N 304.362 1.437 10 10 DDCE Nc1cc(O)ccc1NS(=O)(=O)C[C@H]1C[C@H]1C(F)(F)F 2164653407 ZEDCBHXIIZYVGX-HTRCEHHLSA-N 310.297 1.915 10 10 DDCE Oc1cc(CCNCc2cc(Br)ccc2O)[nH]n1 391397812 NYECGWSFTXENMJ-UHFFFAOYSA-N 312.167 1.916 10 10 DDCE C[C@@H]1CSC[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 397914662 CUJANSBSSQYMCX-MFKMUULPSA-N 316.448 1.319 10 10 DDCE CS(=O)(=O)N1CCC[C@H](CN2CCC[C@@H]2CN=[N+]=[N-])C1 2179618969 NMUXEJQXUUPYMD-VXGBXAGGSA-N 301.416 1.433 10 10 DDCE CS[C@H]1CN(c2ccc(CN)c(F)c2F)C[C@@H]1N(C)C 2170716913 KYTDPMDWBSLPPH-RYUDHWBXSA-N 301.406 1.905 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H](C(=O)O)[C@H](C)F)s1 2269102020 WKQNHAKBLAWOLI-CAHLUQPWSA-N 307.372 1.475 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)c1nn(C)nc1Br 2300531272 DEWIIUPOXFAMEZ-UHFFFAOYSA-N 302.136 1.350 10 10 DDCE CCOc1cc(C=C2C(=O)NC(=O)N(C)C2=O)ccc1OC 2313548890 IDRJBXRPNGHNDS-UHFFFAOYSA-N 304.302 1.186 10 10 DDCE Cc1ccc(CN[C@H]2COC[C@@H]2N)c(O)c1Br 2307480286 RHGPOJZNOMERNK-UWVGGRQHSA-N 301.184 1.279 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)cc1Cl 2336464639 GIECTQXPMTZWAB-ZDMBXUJBSA-N 301.795 1.627 10 10 DDCE CN(C)c1ccc(CNCC(=O)NCc2ccco2)cc1F 113319058 UXDVJRFCLPBTTO-UHFFFAOYSA-N 305.353 1.891 10 10 DDCE CCOC[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 301681202 JTLQSHJZRURWIV-SNVBAGLBSA-N 321.333 1.789 10 10 DDCE COCC(=O)N1CCC(NCc2cc(Cl)ccc2O)CC1 37142373 YJRGPTOMNWIOTI-UHFFFAOYSA-N 312.797 1.773 10 10 DDCE COc1cccc(CNC(=O)c2ccc3nnn(C)c3c2)c1O 183325785 IJERKOJCXSFNCQ-UHFFFAOYSA-N 312.329 1.613 10 10 DDCE CCn1ncc(/C=C2/SC(N3CCN(C)CC3)=NC2=O)c1C 210644854 MMIJEHPPEUXLDZ-UKTHLTGXSA-N 319.434 1.429 10 10 DDCE CN1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)CCC1=O 121248678 AZFPOUXQPPPUDB-ZDUSSCGKSA-N 304.394 1.173 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@H]([S@](=O)CCc2ccc(N)cc2)C1 2367834892 VYHLVDJJVXPKCK-IQUTYRLHSA-N 315.460 1.526 10 10 DDCE COc1ccc(N2CC[C@@H](S(=O)(=O)C(F)F)C2)c(N)c1 2368545448 RUTYITIDDLVOIE-SECBINFHSA-N 306.334 1.494 10 10 DDCE COc1ccc(CN2CC[C@H](CN3CCOCC3)C2)c(O)c1 93665388 LIMVPQDRWRYIKR-CQSZACIVSA-N 306.406 1.555 10 10 DDCE CN(CCOCCO)c1ccc(CN)c(Br)c1 383126948 JLEIAGPLOKCNRB-UHFFFAOYSA-N 303.200 1.353 10 10 DDCE CC(=O)N(C(=S)NCc1cnc(C)cn1)c1ccc(N)cc1 243387119 MKAWLVUQCWHYAY-UHFFFAOYSA-N 315.402 1.795 10 10 DDCE CN1CCN[C@H](c2c(O)cccc2NC(=O)OC(C)(C)C)C1=O 1952883504 MPQMOFAFICSBLK-CYBMUJFWSA-N 321.377 1.842 10 10 DDCE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1895031136 AISDFQMGHCLWNQ-AVGNSLFASA-N 324.421 1.899 10 10 DDCE C[C@@H]1CCOCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 362471384 HBFYFNMYIFCFQA-OAHLLOKOSA-N 319.449 1.822 10 10 DDCE COc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1O 802782469 MSPMLUJAPOGWKE-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(CNC(=O)C=C(C)C)cc1 808524574 YIQKAWMQGYELKI-UHFFFAOYSA-N 317.341 1.584 10 10 DDCE O=C1NCC2(CN(Cc3cc(Br)ccc3O)C2)O1 817418024 YHWQYFMHIGHEIN-UHFFFAOYSA-N 313.151 1.449 10 10 DDCE CC[C@@H](O)CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 822785860 FYWZSSHAPMRCBW-XJKSGUPXSA-N 306.406 1.861 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@@H]1CO[C@@H](CCC(=O)O)C1 901797805 FMALNDFSNOPUSW-STQMWFEESA-N 307.346 1.621 10 10 DDCE CN(C)c1ccc(CNC[C@@]2(C(=O)O)CCCOC2)cc1F 901943594 NWXCCSRYPRRING-INIZCTEOSA-N 310.369 1.863 10 10 DDCE CO[C@]12CCC[C@@]1(NC(=O)c1ccc(C)c(O)c1O)CCO2 928064627 DAHPDBQZVMFHCR-CVEARBPZSA-N 307.346 1.822 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCC[C@H](C)O)C2)cc1 854297180 OLDRJDHCOMQTHU-STQMWFEESA-N 307.394 1.344 10 10 DDCE O=C(c1nc[nH]n1)N(Cc1ccccc1O)C[C@H]1CCCO1 752147682 AXAQGINAXCDCTM-GFCCVEGCSA-N 302.334 1.332 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@]1(O)C[C@H]2C=C[C@H]1C2 855757247 ZIOZYKAFXWEPQS-DGHIUIQYSA-N 301.342 1.554 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCC[C@](N)(CO)C2)c1O 923478713 CNDLPGDKGBNZDN-OAHLLOKOSA-N 312.797 1.534 10 10 DDCE O=C(c1cc(O)cs1)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 854888477 NDQWZEAJBUWSJB-KOLCDFICSA-N 301.389 1.245 10 10 DDCE CCOCCn1cc(C(=O)NCc2c(O)cccc2F)cn1 928712755 UMJAZCAFGNPKHL-UHFFFAOYSA-N 307.325 1.694 10 10 DDCE COC(=O)C[C@@H](CNC(=O)NCc1ccccc1O)C1CC1 852602339 FJLGYLXZPFHBCZ-ZDUSSCGKSA-N 306.362 1.781 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCC[C@H](O)C(F)F)c1 866442327 JQVHCBGIIZLRKT-UFBFGSQYSA-N 303.305 1.846 10 10 DDCE CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2c(O)cccc2F)C1 896637918 RJTYRVIECMNOOH-GHMZBOCLSA-N 301.383 1.977 10 10 DDCE CN1C(=O)C(=Cc2cc(-n3ccnc3)cs2)C(=O)N(C)C1=O 783685596 PJDVVPIIIMYLJE-UHFFFAOYSA-N 316.342 1.368 10 10 DDCE C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC(=O)N1 897905121 JXCLDXLRRBROQZ-SSDOTTSWSA-N 306.343 1.273 10 10 DDCE COc1ccc(CNC(=O)c2cnc(SC)nc2O)c(O)c1 1139032776 PYBFVMNOMICIHX-UHFFFAOYSA-N 321.358 1.548 10 10 DDCE CN(c1ccc(N)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1959522520 DQNMUOXMTPRHBX-ZIAGYGMSSA-N 307.394 1.685 10 10 DDCE COC(OC)[C@H](C)N(C)S(=O)(=O)Cc1ccc(N)cc1 714610872 OMUMTODMSKTZBK-JTQLQIEISA-N 302.396 1.038 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@]3(CCCOC3)C1)[C@@H](O)CO2 795640615 YNLIYCHUSKIYFP-DOTOQJQBSA-N 321.373 1.199 10 10 DDCE CNC[C@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 1333531791 FVNGQQMYZBNAMZ-KBPBESRZSA-N 320.437 1.429 10 10 DDCE NC(=O)c1cc(NCc2cccc(Br)c2O)ncn1 1186360128 RUJXBYISGGZZEH-UHFFFAOYSA-N 323.150 1.656 10 10 DDCE CC(=O)N[C@H](CCC(C)C)C(=O)NCc1cccc(O)c1O 1349076893 AAJJWGNDVQNAGA-CYBMUJFWSA-N 308.378 1.655 10 10 DDCE CCc1nn(C)c(CC)c1CC(=O)NCc1cccc(O)c1O 1263894874 YPDWUSGIPOGGCO-UHFFFAOYSA-N 317.389 1.815 10 10 DDCE COc1ccccc1C(=O)C(=O)NCc1cccc(O)c1O 1455314100 DZHNRGHADZLWAV-UHFFFAOYSA-N 301.298 1.606 10 10 DDCE COc1ccccc1[C@@H](O)C(=O)NCCc1ccc(O)c(O)c1 1622753132 ICGFVGFFWGPKFA-MRXNPFEDSA-N 317.341 1.499 10 10 DDCE Cc1nnc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)s1 1557632565 SIAGIESBQDDFEP-GQCTYLIASA-N 305.359 1.930 10 10 DDCE C[C@H](Oc1cccc(CO)c1)C(=O)NCc1cc(O)ccc1O 1558175654 ZNPMZPRLMQFOOC-NSHDSACASA-N 317.341 1.674 10 10 DDCE Cc1cccc2nc(CNC(=O)Cc3ccc(O)c(O)c3)cn12 1565734358 BNPUFWIKIBFOHT-UHFFFAOYSA-N 311.341 1.913 10 10 DDCE O=C(Nc1ccc(OCc2nn[nH]n2)cc1)c1cc(O)cs1 1565779667 LUSNJGACTBOVSI-UHFFFAOYSA-N 317.330 1.798 10 10 DDCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@]2(CCOC2)O1 1634917047 GNECZLVVSCYWDC-ZBEGNZNMSA-N 307.346 1.047 10 10 DDCE CN(C)C(=O)c1ccc(NC(=O)c2cccc(O)c2O)cn1 1645017207 IDOTXMBHDGWQKU-UHFFFAOYSA-N 301.302 1.447 10 10 DDCE O=C(CCCOc1cccnc1)NCc1cc(O)ccc1O 1651223020 WIYNZTTYRLTRBM-UHFFFAOYSA-N 302.330 1.968 10 10 DDCE COc1cccc(CNC(=O)CC(C)(C)COC(C)=O)c1O 1595800315 SSFOJRXNHGTZMM-UHFFFAOYSA-N 309.362 1.996 10 10 DDCE CN(CCN=[N+]=[N-])C(=O)CCCONC(=O)OC(C)(C)C 1885563679 YOPMHOHEZDRMFM-UHFFFAOYSA-N 301.347 1.992 10 10 DDCE O=C(O)[C@H]1[C@H]2CN(Cc3c(O)cccc3Br)C[C@H]21 2027566993 DPOFKZCPONFKRE-IJBDUVHLSA-N 312.163 1.917 10 10 DDCE CCN1CCN(c2ccc(CO)c(Br)c2)CC1=O 2040918244 TXSSCSSDFDZHQS-UHFFFAOYSA-N 313.195 1.610 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)c(Cl)c1 321203303 QPYMMTNBHBGVSE-INTQDDNPSA-N 300.811 1.735 10 10 DDCE O=C1CC[C@@H](NCc2c(O)cccc2Br)CCN1 706842484 RSPJOFSTWAZURE-SECBINFHSA-N 313.195 1.913 10 10 DDCE C[C@@H]1NC(=O)CC[C@@H]1NCc1cccc(Br)c1O 392952786 LTMBYICWOXHPHH-KWQFWETISA-N 313.195 1.911 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC3C[C@@H]4[C@@H](C3)C4(F)F)c2n1 2064358901 ZTBLSLWCCLTTJK-NXEZZACHSA-N 308.288 1.517 10 10 DDCE CS(=O)(=O)CCOCCCC(=O)Nc1ccc(N)cc1 2189905219 GKQYDHCXVGBRQP-UHFFFAOYSA-N 300.380 1.049 10 10 DDCE CC(C)OCCS(=O)(=O)CC(=O)c1ccc(O)c(O)c1 2184675552 LXKZVTBQMQZQFC-UHFFFAOYSA-N 302.348 1.120 10 10 DDCE C[C@H](N)c1cc(F)c(N2CCS(=O)(=O)[C@H](C)C2)c(F)c1 2194695070 QUUCQOZEIPIUHH-BDAKNGLRSA-N 304.362 1.608 10 10 DDCE CNCc1cc(F)c(N2CC(C)(C[S@](C)=O)C2)c(F)c1 2186341490 UTWPHNSDRHHFJK-FQEVSTJZSA-N 302.390 1.889 10 10 DDCE CCCN[C@H]1COC[C@H]1CNCc1cnc(SC)s1 2269311387 DYAPJZFBWRWQAC-PWSUYJOCSA-N 301.481 1.969 10 10 DDCE N[C@@H]1CC[C@@H]1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2316347978 JJRMIIVGGZYWNN-BDAKNGLRSA-N 311.190 1.930 10 10 DDCE Cc1ccc(CNC(=O)[C@H]2CCNO2)c(O)c1Br 2327590986 DMSQJCNLFPXIMJ-SECBINFHSA-N 315.167 1.373 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CC[C@H](C)NC2)s1 2345312682 KQJDPDVURCCLPW-QPUJVOFHSA-N 301.437 1.550 10 10 DDCE O=C1CN[C@H](c2cc(I)ccc2O)C1 1951965089 FBKLQPQOJWRFHD-VIFPVBQESA-N 303.099 1.600 10 10 DDCE CC(=O)N1CCC[C@@H]1C(=O)NCCCSc1nccs1 114139953 IDPPFSASIBJGTP-LLVKDONJSA-N 313.448 1.752 10 10 DDCE COc1ccc(CN2CCN(C3CCOCC3)CC2)c(O)c1 129803978 YBYCCIAIZQACTQ-UHFFFAOYSA-N 306.406 1.697 10 10 DDCE CN(CC(=O)Nc1ccccc1)C(=O)c1cccc(O)c1O 186915040 MXBFEYRPYVEYKN-UHFFFAOYSA-N 300.314 1.809 10 10 DDCE COc1cc(Cl)cc(CN2CCO[C@@H](CN(C)C)C2)c1O 184670619 CKXCKCBPBUVTPM-ZDUSSCGKSA-N 314.813 1.817 10 10 DDCE CC(C)(C)OC(=O)N1CCC(N)(c2c(O)cc(O)cc2O)CC1 1952410874 LYJSSGIUNHVESP-UHFFFAOYSA-N 324.377 1.988 10 10 DDCE C/C=C/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 40142068 JGXRZZUKKLHUFO-KGKLHCQRSA-N 303.430 1.494 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)N(C)CCC(=O)O 88769868 HQAKSOQQHHQMDH-JTQLQIEISA-N 316.379 1.036 10 10 DDCE COc1ccc(CNC(=O)Cn2ccc(C(F)F)n2)c(O)c1 529226945 HISFRLUKMSCXOW-UHFFFAOYSA-N 311.288 1.851 10 10 DDCE COc1cc2c(c(OC)c1OC)CN(CCC(=O)O)CCN2C 527432153 SNBAZQJVOBJACS-UHFFFAOYSA-N 324.377 1.439 10 10 DDCE CN1C2(CCC2)COC[C@]1(CO)CNCc1ccccc1O 527756232 YEGYKYCWUPOYDV-QGZVFWFLSA-N 306.406 1.098 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)CCC(=O)NC1 281126612 DQQVWKKOHDPREC-KRWDZBQOSA-N 303.406 1.627 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@@H](N)[C@H](O)C(=O)O 1952932094 SNLJAPHVACKVGC-MNOVXSKESA-N 312.322 1.185 10 10 DDCE OC[C@@H](CNCc1cc(Cl)c(F)cc1O)[C@@H]1CCOC1 294823167 XRLIKBFJUGJGDE-MWLCHTKSSA-N 303.761 1.919 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 808529372 DEQMLMPXSPFJKO-UHFFFAOYSA-N 319.191 1.929 10 10 DDCE COc1ccc(N2CCN(C(=O)CN3C[C@H](C)[C@H]3C)CC2)cc1 293196551 XKVFBUFYPNKFKG-LSDHHAIUSA-N 317.433 1.684 10 10 DDCE COC(=O)C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@H]1C 905711283 DDIHFLRBWKYOJH-UEKVPHQBSA-N 321.373 1.449 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NCCCc2ncn(C)n2)c1 842902847 OLKBOGDLVISERU-LLVKDONJSA-N 318.377 1.591 10 10 DDCE NCC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 841831095 BIJDTNZTBKSTHG-UHFFFAOYSA-N 314.433 1.943 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cnsn3)C2)cc1 855233006 VNIIVSAXRHYAMT-SNVBAGLBSA-N 304.375 1.555 10 10 DDCE COC[C@H](NC(=O)NCc1c(O)cccc1F)[C@@H]1CCCO1 922253489 JKCRDEIKWIHTIQ-JSGCOSHPSA-N 312.341 1.525 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3nn(C)cc3C)C2)cc1 855226749 TVERYEFIHGRKCX-CYBMUJFWSA-N 314.389 1.746 10 10 DDCE O=C(NCc1c(O)cccc1F)c1coc2c1C(=O)NCCC2 928707673 AJRQFFJOKHYMAC-UHFFFAOYSA-N 318.304 1.730 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)C2CC(O)C2)c([N+](=O)[O-])c1 758917385 LCOOSCXVLUZSMK-GQCTYLIASA-N 306.318 1.741 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2Cc1nnnn1C(C)(C)C 766845931 HIJSMMNAEMXFFR-UHFFFAOYSA-N 316.409 1.893 10 10 DDCE Oc1cccc(Br)c1CN1C[C@@H](O)C[C@@H](O)C1 862251601 INMFOQZCRCRRDM-DTORHVGOSA-N 302.168 1.082 10 10 DDCE C[C@H](NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1O 868376920 WGVCHVAOHCSBLX-WDEREUQCSA-N 303.362 1.516 10 10 DDCE CC(C)n1cnc(S(=O)(=O)N2Cc3cccc(O)c3C2)c1 867691459 WZNKPRHLPPSPDB-UHFFFAOYSA-N 307.375 1.874 10 10 DDCE COc1nsc(OC)c1C(=O)NCc1ccc(O)c(O)c1 1137443326 LDSBRHRBHUSASP-UHFFFAOYSA-N 310.331 1.502 10 10 DDCE COc1cc(C)cc(CNCC(C)(C)[C@@]2(O)CCOC2)c1O 895085164 KECCKTVLSJOCFU-QGZVFWFLSA-N 309.406 1.976 10 10 DDCE O=S1(=O)CC(NCc2ccc(Br)cc2O)C1 691490298 WJVBHJFCKNLYRV-UHFFFAOYSA-N 306.181 1.041 10 10 DDCE CO[C@@H](C)c1noc(CN(C)C(=O)c2cccc(O)c2O)n1 790857173 LDAJVQIAOQEDMJ-QMMMGPOBSA-N 307.306 1.460 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCCSCC2)cc1 709581271 BUKXEKBHICIYMR-CYBMUJFWSA-N 300.449 1.974 10 10 DDCE CN(C[C@@H]1COCCO1)C(=O)c1ccc(N=NC(N)=O)cc1 1165684128 XVRGNHYJKGNMPE-GFCCVEGCSA-N 306.322 1.336 10 10 DDCE C[C@H](NC(=O)N[C@@H]1CCc2nnnn2CC1)c1ccccc1O 1230219300 SRAMYRZUEZGQCV-WDEREUQCSA-N 316.365 1.144 10 10 DDCE CCCCNC(=O)[C@@H]1CSCN1C(=O)c1cccc(O)c1O 1539618598 LNBHRQKAFUFYSS-NSHDSACASA-N 324.402 1.529 10 10 DDCE COC(=O)CN1C(=O)/C(=C/c2cccc(O)c2)SC1=S 1212688 OQTOXCRHCRZCDN-POHAHGRESA-N 309.368 1.766 10 10 DDCE O=C(/C=C\Cn1cncn1)NCc1ccc2cccnc2c1O 1639624817 LGMNVALVTZAWDO-RQOWECAXSA-N 309.329 1.405 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cc(C(F)(F)F)n[nH]1 1566358895 PFYRIBWWKFMZLX-UHFFFAOYSA-N 301.224 1.770 10 10 DDCE COc1ccc(N2CCCN(C(=O)[C@H](C)CC(N)=O)CC2)cc1 1630713469 MRINBGZNQJTONT-CYBMUJFWSA-N 319.405 1.245 10 10 DDCE Cc1ccc(C(=O)Nc2n[nH]cc2C(=O)N(C)C)c(O)c1O 1644427169 UFBKEDMMRRKAHV-UHFFFAOYSA-N 304.306 1.083 10 10 DDCE O=C(Cc1ccc2c(c1)NC(=O)C2)NCc1cc(O)ccc1O 1593873253 MWIKWVLGINVWNT-UHFFFAOYSA-N 312.325 1.451 10 10 DDCE CC(C)(C)OC(=O)NCC(F)(F)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961042875 HAZODRNZPJGYMV-KYZUINATSA-N 320.336 1.412 10 10 DDCE CN1CCC[C@H]1CNC(=O)NCc1ccc(N2CC=CC2)cc1 154149150 YYQZQADOTXDSRG-KRWDZBQOSA-N 314.433 1.956 10 10 DDCE COc1ccc(NN=NCCN2CCOCC2)cc1[N+](=O)[O-] 1860490952 DXMTYWIXLIHWDG-UHFFFAOYSA-N 309.326 1.715 10 10 DDCE CCCN(Cc1ccc(F)cc1O)[C@@H]1CCS(=O)(=O)C1 1964539274 YOWYMNXJJVNGNE-CYBMUJFWSA-N 301.383 1.930 10 10 DDCE C[C@@]1(F)CCN(S(=O)(=O)CCOc2ccc(N)cc2)C1 2152316856 FCHFVEQECHQBFZ-CYBMUJFWSA-N 302.371 1.411 10 10 DDCE CO[C@H]1COC[C@H]1NCc1cccc(Br)c1O 2008133059 CCFAHRAQOWSPNK-MNOVXSKESA-N 302.168 1.658 10 10 DDCE CC1(CNS(=O)(=O)CCOc2ccc(N)cc2)CSC1 2152892648 WEUBGGHFOJWMDR-UHFFFAOYSA-N 316.448 1.320 10 10 DDCE CCO[C@@H]1C[C@H](N)[C@H]1Nc1c(N)cccc1Br 2016954713 HHXYIARNEXGTLP-HOSYDEDBSA-N 300.200 1.948 10 10 DDCE C[C@H]1[C@H](C)S(=O)(=O)CCN1c1ccc([C@@H](C)N)cc1F 2170278532 TYWDYAGXJSVTNI-VWYCJHECSA-N 300.399 1.857 10 10 DDCE CS(=O)(=O)N[C@@H]1CCCN(Cc2cccc(F)c2O)C1 703131170 INJRIIYALXOWSV-LLVKDONJSA-N 302.371 1.045 10 10 DDCE CS(=O)(=O)C1CCN(c2c(F)cc(CN)cc2F)CC1 380799367 YEEBOIJOZDPBFH-UHFFFAOYSA-N 304.362 1.437 10 10 DDCE O=C1NCCC[C@@H]1NCc1cc(Br)cc(F)c1O 715819033 RYVJVFUZLGZHIB-JTQLQIEISA-N 317.158 1.662 10 10 DDCE COCC1(O)CN(c2ccc([C@H](C)N)c(Br)c2)C1 384187680 YFGUWOPBJDXSBB-VIFPVBQESA-N 315.211 1.666 10 10 DDCE O=S(=O)(NCCc1ccc(O)c(O)c1)[C@H]1CCC[C@@H]1F 2175563118 OROSWELHOGPRNF-GWCFXTLKSA-N 303.355 1.450 10 10 DDCE COC(=O)CN(Cc1ccccc1)C(=O)c1cccc(O)c1O 1148218831 MTOMYJWEQUJJMF-UHFFFAOYSA-N 315.325 1.913 10 10 DDCE CN(Cc1ccc(Br)cc1O)[C@H]1CC(=O)NC1=O 2051513695 LJOBRXVVZSZZTE-VIFPVBQESA-N 313.151 1.002 10 10 DDCE C[C@H](O)[C@@H]1CN(c2ccc(CN)c(Br)c2)CCO1 2053847029 OOBBWDAJOYQBFU-ZANVPECISA-N 315.211 1.494 10 10 DDCE C[C@H](O)c1cc(F)c(N2CC(CS(C)(=O)=O)C2)c(F)c1 2194516705 JKXLWBICMSRBDU-QMMMGPOBSA-N 305.346 1.499 10 10 DDCE CO[C@@H]1C[C@H](NCc2ccc(Br)cc2O)C[C@@H]1O 2067186198 ZQXBXZMJEMCZEA-KGYLQXTDSA-N 316.195 1.783 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H]3[C@@H]2CO)c(Br)c1 2078275911 WMVJDLVDZNWYKQ-WDMOLILDSA-N 311.223 1.986 10 10 DDCE CCCNC[C@@H](C)S(=O)(=O)NCc1cnc(SC)s1 2269277682 DCBPMKPSZQOEIA-SECBINFHSA-N 323.509 1.673 10 10 DDCE CCCOCC[S@@](=O)C[C@H](O)COc1ccc(N)cc1 2238131262 MRYWEYIHOPGCKG-ZUOKHONESA-N 301.408 1.184 10 10 DDCE COC(=O)C=Cc1ccc(N(C)CC[C@H](C)O)c([N+](=O)[O-])c1 2297686222 GPGTVNLSEAIDLI-NSHDSACASA-N 308.334 1.988 10 10 DDCE CO[C@H](CO)CNCc1ccc(C)c(Br)c1O 2307474388 KYDOLFQDJIQOFC-JTQLQIEISA-N 304.184 1.560 10 10 DDCE O=C([C@H]1CNc2ccccc2N1)N(CCO)Cc1ccccc1 303987057 JWKUFPXUWQFHKN-QGZVFWFLSA-N 311.385 1.914 10 10 DDCE CO[C@H](C)CC[S@](=O)C[C@@H](O)COc1ccc(N)cc1 2362085045 URHBAIZFSIHCBC-RZZGRXHGSA-N 301.408 1.182 10 10 DDCE CCS(=O)(=O)N1CCC(NCc2cccc(O)c2O)CC1 41116711 OUFWCASKAYICTR-UHFFFAOYSA-N 314.407 1.002 10 10 DDCE CC(C)(NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)C(=O)O 190673694 NYBOSAKICLNPIS-VMPITWQZSA-N 318.373 1.516 10 10 DDCE Cc1ccc(CN2CC[C@H](S(=O)(=O)C(F)F)C2)c(O)c1 2368504863 JOPJXVOAEYOWRX-NSHDSACASA-N 305.346 1.912 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H](S(=O)(=O)C(F)F)C2)cc1 2368588811 NFLFIMPTGNGLMP-CABZTGNLSA-N 304.362 1.922 10 10 DDCE CC[C@H]1CN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)CCN1C 92752227 WJTCGVOJJNXPKG-XPTSAGLGSA-N 308.813 1.822 10 10 DDCE CCOc1ccc(O)c(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c1 245701665 DGWSTLVIRALEFV-KBPBESRZSA-N 308.422 1.678 10 10 DDCE CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cccc(O)c3O)[C@H]2C1 365756389 DYZZQAWRCLNFEP-SCDSUCTJSA-N 307.346 1.506 10 10 DDCE O=C1Nc2cc(N3CC([C@@H](F)CO)C3)c(Cl)cc2[C@H]1O 2166897202 VTIZCYWADDTPKZ-JOYOIKCWSA-N 300.717 1.092 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCO[C@@H](C(F)F)C2)cc1 800908134 MFEJCJFQXYSPMR-CYBMUJFWSA-N 313.348 1.928 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCO1 291167651 GIGOQNMENUDJTE-UHFFFAOYSA-N 309.341 1.509 10 10 DDCE O=S1(=O)CCN(c2ccc(CNC3CSC3)cc2)CC1 826932401 VOVMRMKUBRMHID-UHFFFAOYSA-N 312.460 1.126 10 10 DDCE COCCN(C[C@H]1COCCO1)c1ccc(OC)c(OC)c1 828344374 DIUXYGASFFJMCG-AWEZNQCLSA-N 311.378 1.572 10 10 DDCE CO[C@@]1(C(=O)O)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 901542358 ORRZEAQMGSLOMS-BDUNBXCCSA-N 304.390 1.941 10 10 DDCE COc1ccc(O)c(CNC(=O)/C=C(\C)CN2CCOCC2)c1 901130409 IAMDSZMOWHQVFN-UKTHLTGXSA-N 320.389 1.296 10 10 DDCE O=C(NCCOCC(F)(F)F)NCc1c(O)cccc1F 914005786 WSHVVJZAZAJNMG-UHFFFAOYSA-N 310.247 1.909 10 10 DDCE Cn1cnnc1N1CCN(Cc2c(O)cccc2Cl)CC1 848924982 JLJCIHCUPHPIOS-UHFFFAOYSA-N 307.785 1.496 10 10 DDCE C[C@H]1OCC[C@H]1S(=O)(=O)Nc1ccc(O)cc1C(=O)O 844783310 ZUZGDEFZEHXRKH-RDDDGLTNSA-N 301.320 1.010 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@H](CN)C(F)(F)F)cc1F 848594991 INDIDJPFWAEFDI-LLVKDONJSA-N 322.306 1.581 10 10 DDCE O=C1N[C@@H](CCF)C(=O)N1Cc1ccc(N2CC=CC2)cc1 844716020 HDHPDKUUQWZNLQ-AWEZNQCLSA-N 303.337 1.843 10 10 DDCE CO[C@@](C)(CO)CNC(=O)NCc1ccc(N(C)C)cc1C 847317952 ATTUJLNMOKDDCO-MRXNPFEDSA-N 309.410 1.258 10 10 DDCE CC[C@@H](N)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851667047 KOVRNQANCSBEIW-CHWSQXEVSA-N 306.410 1.310 10 10 DDCE COC[C@@H](CCCN)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854217090 ISIXFBFDBYXVOR-HUUCEWRRSA-N 307.438 1.617 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@H](O)C(F)(F)C2)cc1 853244358 JLNKWEGZBYVPNL-ZDUSSCGKSA-N 313.348 1.664 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1nnc(C)o1 935945008 HPIISCPITYGQSL-UHFFFAOYSA-N 310.350 1.818 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@]3(N)CC3(F)F)C2)cc1 867985052 YREYXLMAZQOJES-HZMBPMFUSA-N 311.332 1.127 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CCC=CCC2)c1 899804473 NECQVHXRFDNYKK-UHFFFAOYSA-N 324.402 1.992 10 10 DDCE CN1CC[C@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1=O 1628954798 SCPTYAUOABUDOE-INIZCTEOSA-N 315.417 1.724 10 10 DDCE CC(C)(C)N1CCC[C@H](C(=O)NCc2cc(O)ccc2O)C1=O 1593882383 USTCGZZOGYQGFH-CYBMUJFWSA-N 320.389 1.751 10 10 DDCE CCOC(=O)N1CCN(/N=N/c2ccc(C(N)=O)cc2)CC1 1860480697 CJZQIVLPVXTSIX-WUKNDPDISA-N 305.338 1.558 10 10 DDCE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)NCCCN=[N+]=[N-] 1885561395 QTRFWWROTYFDIP-SECBINFHSA-N 301.347 1.343 10 10 DDCE COCC(COC)(COC)NCc1cccc(Cl)c1O 1967704648 JRNRPGYZFOAGSK-UHFFFAOYSA-N 303.786 1.813 10 10 DDCE CC[C@H](CS(C)(=O)=O)NCc1cc(Cl)cc(OC)c1O 1967831366 XXAMJFBTFCMFHK-LLVKDONJSA-N 321.826 1.967 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)Nc1ccc(N)cc1 1985777646 PHUINTQIBMXXOS-GFCCVEGCSA-N 324.381 1.276 10 10 DDCE NCc1cc(F)c(N2CC=C[C@H](O)C2)cc1Br 2000827095 FKVNHCAMJSPXBM-VIFPVBQESA-N 301.159 1.784 10 10 DDCE C[C@@H](CCCNCc1ccc(N(C)C)cc1)S(=O)(=O)O 2160482048 RVRAQBMSPYPZTG-LBPRGKRZSA-N 300.424 1.899 10 10 DDCE CN(C)c1ccc(C=C2SC(=O)N(CC(=O)O)C2=O)cc1 2053496780 KVXQWMJSDDXKAV-UHFFFAOYSA-N 306.343 1.874 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@@H](CCO)CC3)c2n1 2064290656 UXKTZNSDEUYLKD-GFCCVEGCSA-N 318.377 1.368 10 10 DDCE CO[C@@]1(C)C[C@H](NC(=O)c2cnn3c(O)cc(C)nc23)C1(C)C 2064582641 XFALRLFIQBZTKG-ZBEGNZNMSA-N 318.377 1.677 10 10 DDCE Nc1ccc(OCCC(=O)N2CCC[C@H]2C2OCCO2)cc1 2089612319 SISPGFPAYPYHHN-AWEZNQCLSA-N 306.362 1.402 10 10 DDCE O=S1(=O)CC[C@@H]2CN(Cc3ccc(Cl)cc3O)C[C@H]21 2090128328 GQJCEKCNPHYUOX-ZWNOBZJWSA-N 301.795 1.665 10 10 DDCE COc1ccc(Br)c(CN[C@@H]2COC[C@H]2F)c1O 2220456399 LWUFXKNHLIVZHB-NXEZZACHSA-N 320.158 1.990 10 10 DDCE O=S(=O)(Nc1ccc(O)c(F)c1)c1nccnc1Cl 2270898665 LQMLAJGHMWXNBG-UHFFFAOYSA-N 303.702 1.776 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@@H]2CCC23CNC3)s1 2269090115 JSHXNMCDGHJNPC-SECBINFHSA-N 319.477 1.036 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CC[C@H](C(=O)O)C2)s1 2269118126 FMLFEQSNTYJMBZ-YUMQZZPRSA-N 300.405 1.982 10 10 DDCE CSc1ncc(CN2C(=O)[C@H](C3CC3)NC(=O)[C@@H]2C)s1 2284666211 OGDGSWMMSHQKFE-XVKPBYJWSA-N 311.432 1.491 10 10 DDCE Cc1ccc(CNCC(C)(CO)CO)c(O)c1Br 2327627943 XHOMLHDFYBWBDP-UHFFFAOYSA-N 318.211 1.544 10 10 DDCE CNCc1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)cc1Cl 2336560490 GQEQUGWJZPFZMV-GXFFZTMASA-N 300.811 1.293 10 10 DDCE O=C(O)CCNC1=NC(=O)/C(=C/c2ccc(O)cc2O)S1 6888752 LRVZYPRQOCVZHD-YHYXMXQVSA-N 308.315 1.132 10 10 DDCE COc1cccc(CN2CCO[C@@H](Cn3cccn3)C2)c1O 122274195 SCEMZJKVSGAOGC-CQSZACIVSA-N 303.362 1.498 10 10 DDCE Cc1nc2n(n1)CCC[C@H]2NC(=O)N(C)Cc1ccccc1O 83740351 IIYRQLKYWVUGLV-CYBMUJFWSA-N 315.377 1.969 10 10 DDCE CC[C@](C)(CO)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255585031 FUSJBUHVVMTDFX-OTIVFRFGSA-N 318.417 1.814 10 10 DDCE CCOC(=O)c1cnn2c(O)cc(CN3C[C@H](C)[C@H]3C)nc12 293382450 JXVSUCVNHAPIRH-VHSXEESVSA-N 304.350 1.452 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@](F)(CO)C2)c([N+](=O)[O-])c1 801682570 HRAWKWIJQWUBDO-SJDLMVEWSA-N 324.308 1.692 10 10 DDCE COCCCOc1ccccc1NC[C@@H](O)CN1CCOCC1 819420800 BOVJSZBFYHIPMX-OAHLLOKOSA-N 324.421 1.207 10 10 DDCE CCOC(=O)C(F)(F)[C@@H](N)c1cc(O)c(O)c([N+](=O)[O-])c1 725391474 KNLBFIFIUYLLDP-VIFPVBQESA-N 306.221 1.204 10 10 DDCE C/C(=C/C(=O)N(C)Cc1ccccc1O)CN1CCOCC1 901054171 BXOQEIDJPMJOGM-KAMYIIQDSA-N 304.390 1.629 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccc(O)nc2)c1 830540405 IWYHYOOLIQHARN-SNVBAGLBSA-N 302.330 1.921 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@@]2(C)CCCS2(=O)=O)cc1 905318191 NEIXSUBQBCFCRH-OAHLLOKOSA-N 310.419 1.336 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C1(C(=O)O)CCOCC1 911410520 USLUINMFBHESGW-UHFFFAOYSA-N 320.389 1.559 10 10 DDCE COc1ccc(O)c(CNC(=O)c2cn(C3CCC3)nn2)c1 843830116 CCAHBDANJXAWGV-UHFFFAOYSA-N 302.334 1.647 10 10 DDCE O=C(NCc1ncc2c(n1)CCOC2)NCc1ccccc1O 844938514 HZTYBCASHPMPTL-UHFFFAOYSA-N 314.345 1.254 10 10 DDCE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)/C=C/c1ccc(O)c(O)c1 841456021 BYNRTANCRIUNLM-PBYRWIMMSA-N 320.389 1.025 10 10 DDCE CN(C)c1ccc(/C=C/CN2CC(N3CC[C@@H](O)C3)C2)cc1 843423640 HLZBOAFDFQLREG-OAJJDEHYSA-N 301.434 1.517 10 10 DDCE C[C@H](NS(=O)(=O)C[C@@]12CCCN(CC1)C2)c1ccccc1O 919116916 AGEPJMBVTWZNDN-BBRMVZONSA-N 324.446 1.859 10 10 DDCE O=C(NCCCSc1nccs1)[C@H](O)C1CCOCC1 746019891 AJVSQMAHFOYLBO-LLVKDONJSA-N 316.448 1.529 10 10 DDCE CCN1OC[C@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)C1=O 851897879 RXDMNFCEQMDFGJ-CJNGLKHVSA-N 319.405 1.336 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC3CCNCC3)C2)cc1 851661208 GPSADGFXDZBAEF-AWEZNQCLSA-N 318.421 1.325 10 10 DDCE C[C@@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1CN 866673564 DAEDQLQQZRYLNG-GDBMZVCRSA-N 318.465 1.238 10 10 DDCE NC(=O)Cc1cccc2c1CCN(C(=O)c1cc(O)cs1)C2 870449656 CTKYMVSDVLKQOV-UHFFFAOYSA-N 316.382 1.680 10 10 DDCE CCOc1cccc(CC(=O)NCc2ccc(O)c(O)c2)n1 797942470 RVHRHTHBOSGELU-UHFFFAOYSA-N 302.330 1.750 10 10 DDCE CN1CCO[C@H](C(=O)NCc2c(O)ccc3ccccc23)C1=O 1157042150 ZRJHUJRODIAOSB-OAHLLOKOSA-N 314.341 1.019 10 10 DDCE CC1(C)CCN(C(=O)c2c(F)ccc(O)c2O)CC[S@]1=O 1161324549 FPVJQCPBCYLDGK-OAQYLSRUSA-N 315.366 1.610 10 10 DDCE COc1ccc(CNCCN(C)C(=O)C2=COCCO2)cc1C 1267343187 NUXYUBANZFNBRZ-UHFFFAOYSA-N 320.389 1.440 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@@H](CC(=O)O)C(=O)O)cc1 1350667635 KROCUBXTFRBVDS-ITDFMYJTSA-N 306.362 1.531 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1c[nH]c2ccccc2c1=O 1299571496 WYXFNUWPQYCKKW-UHFFFAOYSA-N 310.309 1.869 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC(N(C)OC)C2)c([N+](=O)[O-])c1 1612979272 UKQWOWLYKGZBCJ-ALCCZGGFSA-N 321.333 1.463 10 10 DDCE C[C@@](O)(C(=O)NCCc1ccc(O)c(O)c1)c1ccccc1 1622753056 DXLVJRRNLICHCE-KRWDZBQOSA-N 301.342 1.664 10 10 DDCE COCCO[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1556342334 NFCRZNVPTNTPIP-ZDUSSCGKSA-N 309.362 1.294 10 10 DDCE C[C@@H]1CCc2nc(C(=O)NCc3c(O)cccc3O)cn2C1 1635850488 NWTYECJPINIPST-SNVBAGLBSA-N 301.346 1.807 10 10 DDCE CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCNC1=O 1639488619 XYZUEAJKZHHUMO-NSHDSACASA-N 303.322 1.200 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2cnns2)cc1C 1731893963 VGJZYVXOYAMIOR-UHFFFAOYSA-N 320.418 1.717 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@H]1CC(c2ccccc2)=NO1 1593872771 DOHSXXALNPXFFS-MRXNPFEDSA-N 312.325 1.907 10 10 DDCE CC(C)(C)OC(=O)N1CCN(NCc2ccc(O)cc2O)CC1 1936576975 MZHFKUNQGHZNFV-UHFFFAOYSA-N 323.393 1.655 10 10 DDCE C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(N2CCOCC2)cc1 159581184 YSKGXPSUWCHWDF-GOEBONIOSA-N 317.433 1.609 10 10 DDCE CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2ccc(N)cc2)CC1 1860081886 GVGTUGYJKIFPID-GFCCVEGCSA-N 320.389 1.838 10 10 DDCE CCOC(=O)c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)nc1 1865876605 VVZDJHCNKTXDTC-UHFFFAOYSA-N 318.285 1.627 10 10 DDCE Nc1ccc(CN2CCC(NC(=O)[C@@H]3CCCO3)CC2)cc1 586044718 JWOAAZXCYOSJTQ-INIZCTEOSA-N 303.406 1.528 10 10 DDCE CCOc1cccc(CNCCC(=O)Nc2nc[nH]n2)c1O 1857852236 NOYNGZQQTDPVIO-UHFFFAOYSA-N 305.338 1.027 10 10 DDCE Cc1nnc(NC(=O)CNCc2cc(Cl)ccc2O)s1 1857876861 VCCRHHGGHZZAMZ-UHFFFAOYSA-N 312.782 1.934 10 10 DDCE C[C@@H](O)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c(F)c1 2148784651 SAAVFJOWLGVPBN-GHMZBOCLSA-N 301.383 1.750 10 10 DDCE C[C@H](N)c1ccc(N2CC(OCCO)C2)cc1Br 2034843934 QVHIGNADACBFAD-VIFPVBQESA-N 315.211 1.666 10 10 DDCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)[C@H](C)COC 399620575 LODQSZHPKJSZKO-GFCCVEGCSA-N 300.424 1.846 10 10 DDCE O=C1Nc2cc(N3CC[C@@H]3CF)c(Br)cc2[C@@H]1O 2063218535 SYCUZTFYZTWOND-KBUNVGBDSA-N 315.142 1.983 10 10 DDCE CNCc1csc(NS(=O)(=O)Cc2ccc(N)cc2)n1 2232822019 TTYYKTQHUZRCAC-UHFFFAOYSA-N 312.420 1.387 10 10 DDCE NCc1cc(F)c(N2C[C@@H](CO)C[C@@H](CO)C2)cc1Cl 2236633690 BMPHKGPXKIGGOB-AOOOYVTPSA-N 302.777 1.365 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CCc3nn[nH]c3C2)s1 2284714482 TUYQCXNQIFXNJO-ZETCQYMHSA-N 309.420 1.404 10 10 DDCE COC(=O)C(C)(C)CS(=O)(=O)N1CC[C@H](CN=[N+]=[N-])C1 2290102908 ZDXOFCUDAUZUKQ-SECBINFHSA-N 304.372 1.148 10 10 DDCE Cc1ccc(CN2CCOC[C@@H]2CO)c(O)c1Br 2327620144 ACUXJCGWFHUIOL-NSHDSACASA-N 316.195 1.656 10 10 DDCE Oc1ccc(CCN[C@H]2C[C@@H]3C[C@H]2CC32OCCO2)cc1O 2329911805 YFEQTHJHZYSXSC-IHRRRGAJSA-N 305.374 1.772 10 10 DDCE Cc1cccc(CN2CCN(c3ccc4nncn4n3)CC2)c1O 180081304 CRENJCCUEYGJBQ-UHFFFAOYSA-N 324.388 1.461 10 10 DDCE COc1ccc2c(c1)NC1(CCN(C)CC1)CN2CC(N)=S 75280989 BTMZSGDIDMWCRV-UHFFFAOYSA-N 320.462 1.678 10 10 DDCE CC(C)(C)OC(=O)NC[C@@]1(c2cc(O)c(O)c(O)c2)CCNC1 1952179449 UYWKBVGUAHWWJK-MRXNPFEDSA-N 324.377 1.559 10 10 DDCE COCCN1CCCN(Cc2ccc(OC)cc2O)CC1=O 191697722 BAIPTIFOTWRSSH-UHFFFAOYSA-N 308.378 1.082 10 10 DDCE O=C1NC(=O)[C@]2(CCCN(Cc3cc(Cl)ccc3O)C2)N1 193465542 MFYABKBHPHAOEF-CQSZACIVSA-N 309.753 1.220 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CCN(c2cc(C)cc(C)c2)C1=O 808508245 XQCPICKCQFWIAA-AWEZNQCLSA-N 317.341 1.358 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 808518027 WIUNLSMCVZTGOA-MRVPVSSYSA-N 302.685 1.948 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1cn(C)nn1 824234607 NMAZACDGFZMEIG-UHFFFAOYSA-N 315.421 1.862 10 10 DDCE CC[C@H](O)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 822785858 FYWZSSHAPMRCBW-CJNGLKHVSA-N 306.406 1.861 10 10 DDCE Cc1cc(O)c(CNC[C@@]2(OCCO)CCOC2)cc1Cl 826943682 YGAMEPQQIHUBNI-HNNXBMFYSA-N 315.797 1.612 10 10 DDCE C[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)Cn1ccnc1 588407198 OHDLSUVAEITVAI-KTLBGCOUSA-N 301.346 1.760 10 10 DDCE Cc1ccc(C(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c(O)c1O 848294228 FIITWZNTNUZCLW-UPJWGTAASA-N 322.405 1.634 10 10 DDCE COC(=O)N[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 924485464 NTISGJRLZLXMSX-TZNOJPMFSA-N 306.318 1.068 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@@H](CF)C3)cc2N1 840356093 ZQKCWVNSILZSAS-QMMMGPOBSA-N 311.269 1.100 10 10 DDCE CCOCc1cc(CNC[C@H](O)c2ccnn2C)ccc1OC 922973522 PXEFOHSGIXLJCJ-INIZCTEOSA-N 319.405 1.788 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@@H]3CCNC(=O)[C@@H]32)c(O)c1O 922449196 VDPRPFMOJQSGJZ-ZYHUDNBSSA-N 304.346 1.147 10 10 DDCE C[C@@H](N[C@H](CO)c1ccnn1C)c1cc([N+](=O)[O-])ccc1O 858434981 VSRHBCYEKLWVAB-BXKDBHETSA-N 306.322 1.418 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@](C)(O)C(C)C)C2)cc1 855228236 YBPNSNFCSOXHBX-SUMWQHHRSA-N 306.406 1.797 10 10 DDCE NC(=O)C1(NCc2ccc(N3CCOCC3)cc2)CCCC1 930001578 VHXIYHHOGYSXBD-UHFFFAOYSA-N 303.406 1.411 10 10 DDCE NCc1ccc(N2CC[C@@H](CC(N)=O)C2)cc1Br 690765292 XERITRHJVJDBIR-VIFPVBQESA-N 312.211 1.610 10 10 DDCE COc1ccc(CNC(=O)Nc2cc(OC)n(C)n2)c(O)c1 797646611 CIMOFVWFFOJMDS-UHFFFAOYSA-N 306.322 1.465 10 10 DDCE CS(C)(=O)=NCCNCc1c(O)cccc1Br 1913535800 STLRJMUEKDGXED-UHFFFAOYSA-N 321.240 1.972 10 10 DDCE Cc1nccn1CCNC(=O)c1ccc(N=NC(N)=O)cc1 1292410236 HUCVZLVPBGLGBE-UHFFFAOYSA-N 300.322 1.784 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CC)C(=O)OC 1297562094 AXZRVEYBHKOVGV-JTQLQIEISA-N 300.351 1.693 10 10 DDCE CCS(=O)(=O)CCCNC(=O)/C=C/c1ccc(O)c(O)c1 1299373891 NDOAKNFHJDLENV-FNORWQNLSA-N 313.375 1.052 10 10 DDCE NC(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc23)cn1 1472085246 NIFRODSOWJRMHY-UHFFFAOYSA-N 321.336 1.969 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cccc(-n2cncn2)n1 1472063099 CGDNUFLMBOYPCY-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE CN(Cc1cn(C)nn1)C(=O)c1ccc(N=NC(N)=O)cc1 1557515911 GSYBCTXJSXYXGE-UHFFFAOYSA-N 301.310 1.250 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H](c1ccccc1)c1nc[nH]n1 1567190878 QEPUWEZVSVCYRL-MRXNPFEDSA-N 324.340 1.664 10 10 DDCE Cn1c(CNC(=O)Cc2ccc(O)c(O)c2)nc2ccccc21 1565567257 BELNGDDWSAXVEN-UHFFFAOYSA-N 311.341 1.843 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@@H](OC)C2CC2)cc1C 1567489044 AUXSWMHLOSLNCX-KRWDZBQOSA-N 320.433 1.977 10 10 DDCE CC[C@@H](C(=O)N(C)CCNCc1ccc(OC)c(C)c1)N(C)C 1567561311 JMWMKJRYNKOZKA-INIZCTEOSA-N 321.465 1.892 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1Cc2ccccc2CO1 1642270804 NZUGGXXQTBANTD-HNNXBMFYSA-N 313.353 1.898 10 10 DDCE CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(O)c(O)c1 1962360211 OLXHMRNELARBMK-UHFFFAOYSA-N 310.350 1.695 10 10 DDCE COc1cc(CN(C)CC(C)(C)S(C)(=O)=O)c(O)cc1C 160514610 DBJXUHKSDWHJGH-UHFFFAOYSA-N 315.435 1.964 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNC(=O)c1ccc(O)c(O)c1 1895311196 HZHLCSRKQXAROK-WDEREUQCSA-N 322.361 1.741 10 10 DDCE CS(=O)(=O)C[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1 897595509 NWUDUAPPPLIGRB-JTQLQIEISA-N 319.810 1.291 10 10 DDCE C[C@@]1(c2cc(I)ccc2O)COCCN1 1951873498 UMMKJHQOQIDEDM-NSHDSACASA-N 319.142 1.832 10 10 DDCE CC(=O)C(=O)[C@]1(O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1(C)C 1974702465 AZLYUIXDISONTL-LYOVBCGYSA-N 311.378 1.541 10 10 DDCE C[C@@H](NCc1cccc(F)c1O)[C@H]1CCCS(=O)(=O)C1 2146099700 GRIGBUFNUPOIMZ-PWSUYJOCSA-N 301.383 1.834 10 10 DDCE O=S(=O)(Nc1ccc(O)c(F)c1)N1CCCC[C@H]1CO 2157760119 RFZWNIPZSJSLCK-JTQLQIEISA-N 304.343 1.035 10 10 DDCE OC[C@]1(NCc2ccc(Br)cc2O)C[C@@H](O)C1 2020566954 LYQLWYVUFLDIMN-KLPPZKSPSA-N 302.168 1.130 10 10 DDCE NCc1ccc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c(F)c1Br 2030268800 JFPFYLBJOYXHSF-MYJAWHEDSA-N 315.186 1.721 10 10 DDCE Cn1[nH]c(=NCc2ccc(O)c(O)c2O)cc1Br 2038253049 MQJYERKRHWJNFL-UHFFFAOYSA-N 314.139 1.333 10 10 DDCE C[C@@H](N)c1ccc(N2CCC(S(C)(=O)=O)CC2)c(F)c1 312893924 XFEKHGUPYAWAHE-SNVBAGLBSA-N 300.399 1.859 10 10 DDCE CS(=O)(=O)C1CCC(NCc2c(O)cccc2F)CC1 2160772848 SELYRSMLNTWPPC-UHFFFAOYSA-N 301.383 1.977 10 10 DDCE CN(c1ccc(CO)c(Br)c1)[C@H]1C[C@@H](C(N)=O)C1 703529883 DLXHXHSLOMXXIZ-JGZJWPJOSA-N 313.195 1.642 10 10 DDCE Nc1ccc(CS(=O)(=O)NC2C[C@H]3[C@H](C2)C3(F)F)cc1 693361608 DMCICAVNIPFFKE-RYUDHWBXSA-N 302.346 1.732 10 10 DDCE C[C@H]1CN(c2ccc(CN)c(Br)c2F)C[C@@H]1O 387550829 BUWYTBIVYOEIMH-XVKPBYJWSA-N 303.175 1.864 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1c(Cl)cnn1C 394903297 QEMLJVVCFIWENS-UHFFFAOYSA-N 315.782 1.600 10 10 DDCE CNC(=O)c1cnn(Cc2cccc(Br)c2O)c1 2069926282 DOFQSUVWWKPWTK-UHFFFAOYSA-N 310.151 1.759 10 10 DDCE Oc1ccc(Cn2cc(I)cn2)c(O)c1 2069926663 IOEZHIBVLYZFKJ-UHFFFAOYSA-N 316.098 1.947 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1nnc(C2CC2)s1 1161915776 GXUUQKRHTXRKJA-UHFFFAOYSA-N 305.359 1.686 10 10 DDCE CS(=O)(=O)[C@@H]1CSCCN1c1ccc2c(c1)CC[C@@H]2O 2184743508 KTJGOKITJUASFT-UONOGXRCSA-N 313.444 1.590 10 10 DDCE CCCS(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2234177219 QXOZECOCPBQBBX-UTLUCORTSA-N 303.388 1.052 10 10 DDCE CN(C)c1nnc(NS(=O)(=O)Cc2ccc(N)cc2)s1 2234288057 UMRHLHAHESLBPH-UHFFFAOYSA-N 313.408 1.128 10 10 DDCE C[C@@H](Sc1ncc(C(C)(F)F)s1)C(=O)NCC(=O)O 2264514829 XDOYZQBMMHFZFN-RXMQYKEDSA-N 310.347 1.936 10 10 DDCE COC(=O)CN(C(=O)/C=C/c1cnccn1)c1cccc(C)n1 491928537 HUBCPCGDUQCQAN-VOTSOKGWSA-N 312.329 1.399 10 10 DDCE Cc1ccc(CNC[C@H]2CNC(=O)C2)c(O)c1Br 2327625068 YBWQWYXBYLYTLW-VIFPVBQESA-N 313.195 1.689 10 10 DDCE N[C@H]1C[C@H]2COC[C@@H](C1)[C@]2(Sc1nccs1)C(=O)O 2351869449 WDZXCVFXQJQWLV-VJTPGPCFSA-N 300.405 1.442 10 10 DDCE Nc1ccc(OC[C@H](O)Cn2cc(Br)cn2)cc1 51327342 RKPROMTZIIRBPC-LLVKDONJSA-N 312.167 1.668 10 10 DDCE COc1ccnc(N2CCN(Cc3cc(F)ccc3O)CC2)n1 179923666 XTYGDKFMXDDGDB-UHFFFAOYSA-N 318.352 1.652 10 10 DDCE COc1cc(C)cc(CN2CCN(CC(C)(C)O)C[C@@H]2C)c1O 188849574 SNOGFIBEHIXVQE-AWEZNQCLSA-N 322.449 1.986 10 10 DDCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CNC(=O)C1 194861575 ZVCMDBSURNTYFF-OAHLLOKOSA-N 315.417 1.771 10 10 DDCE COCCNC(=O)CN(C)Cc1cc(Cl)cc(OC)c1O 228583746 AEXXSBISEPLSCP-UHFFFAOYSA-N 316.785 1.249 10 10 DDCE CCC1(CC)CN(C(=O)c2cccc(O)c2O)CC[S@@]1=O 193166433 ISOQYYBUKQLBRW-NRFANRHFSA-N 311.403 1.861 10 10 DDCE CCOc1ccc(N=N[C@@H]2C(=O)N(C(N)=S)N=C2C)cc1 252460423 FFLPGYGYPSWSQF-NSHDSACASA-N 305.363 1.999 10 10 DDCE CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)/C=C\c1ccc(O)c(O)c1 803564836 DHXFAUQRWDDHFX-SQWULWQPSA-N 323.389 1.385 10 10 DDCE Cc1ccc(O)c(/C=C2\SC(=S)N(CC(=O)O)C2=O)n1 728910678 RTCWSNUSYDTERS-WTKPLQERSA-N 310.356 1.381 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC(=O)N[C@H](C)C2)c([N+](=O)[O-])c1 829001785 ZUUPCWSSKZLEBE-DFVUYQKZSA-N 319.317 1.106 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)O2)cc1F 901755351 RITBJPPVOUWEQZ-QWHCGFSZSA-N 310.325 1.140 10 10 DDCE CC(C)(C)OC(=O)N1CCC[C@H](N)[C@@H]1c1cc(O)nc(O)c1 1952902440 RBASSEXVMRXFEH-GWCFXTLKSA-N 309.366 1.892 10 10 DDCE O=C(NCc1c(O)cccc1F)NC[C@@H]1CCN(C2CC2)C1 914160641 HVQFYMIDRGWXBH-NSHDSACASA-N 307.369 1.815 10 10 DDCE C[C@@H](N(C)Cc1cc(O)n2ncc(C(=O)O)c2n1)C(C)(C)C 846236727 CIEMACSHFDWZRW-SECBINFHSA-N 306.366 2.000 10 10 DDCE Cc1cc(CN2C[C@@H](C)N(CCO)C[C@H]2C)ccc1N(C)C 842162368 HUXABDIZYSERHO-HZPDHXFCSA-N 305.466 1.948 10 10 DDCE O=C(Cc1cc(C2CC2)no1)OCC(=O)c1ccc(O)c(O)c1 850158267 YSVVRVDBKZOSFR-UHFFFAOYSA-N 317.297 1.932 10 10 DDCE COC(=O)[C@@H]1C[C@H]1[C@@H](C)NCc1ccc(N2CCOCC2)cc1 850071061 ZVMQHIRGXYLNMW-XOKHGSTOSA-N 318.417 1.810 10 10 DDCE C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)c2ncnn21 852475511 HPMNHUHJAFQANT-BXUZGUMPSA-N 314.393 1.849 10 10 DDCE CCOC(=O)C1=CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 863938217 AVQBESCMPYAFAK-VIFPVBQESA-N 309.293 1.619 10 10 DDCE CNS(=O)(=O)C[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 862551775 PTFLSBUVLZASQH-LLVKDONJSA-N 316.398 1.293 10 10 DDCE C[C@@H](O)[C@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 865740616 JHMNLXINDYRRKG-MLGOLLRUSA-N 323.393 1.416 10 10 DDCE CN(C)c1ccc(CNC2CN(c3ccncn3)C2)cc1F 865748803 DCLTZSSVDPNCRE-UHFFFAOYSA-N 301.369 1.660 10 10 DDCE NCc1cn(-c2cccc3c2C(=O)c2ccccc2C3=O)nn1 62248288 UGQDIEOYRTVLDQ-UHFFFAOYSA-N 304.309 1.501 10 10 DDCE CN[C@H](C)c1ccc(N(C)C(CO)CO)cc1Br 386417362 YWCPSYZHQGBPQX-SECBINFHSA-N 317.227 1.519 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)C2CCOCC2)cc1 1137360020 QDAMUUUOPOCIHS-ZDUSSCGKSA-N 320.349 1.366 10 10 DDCE COc1ccc(CNC(=O)CCN(C)c2ccncc2)c(O)c1 794373078 GEKAHOJISRZXBS-UHFFFAOYSA-N 315.373 1.939 10 10 DDCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])c1cnn(C)c1Cl 712420762 UCRPVBJPJRHDMS-VIFPVBQESA-N 300.750 1.968 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccnc(-c2ncc[nH]2)c1 1304053286 GSZPNGOPNANDCJ-UHFFFAOYSA-N 310.313 1.813 10 10 DDCE CN1CCc2cc([C@@H](O)c3nc(Br)nn3C)ccc21 2116542230 AWEWVDDJBGIZID-LLVKDONJSA-N 323.194 1.652 10 10 DDCE C[C@@H](N)c1ccc(N(C)[C@H]2CCS(=O)(=O)C2)c(Cl)c1 109567988 ADVFVBHJPPWLRP-KOLCDFICSA-N 302.827 1.983 10 10 DDCE O=C1Nc2cc(N3CC(F)(F)C3)c(Br)cc2[C@H]1O 1916986294 CXVBMGSHIADXME-SECBINFHSA-N 319.105 1.890 10 10 DDCE Cn1cnc(-c2ccc(C(=O)NCc3cccc(O)c3O)cc2)n1 1558160879 BRIUMPPOVCHEJI-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE CN1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1=O 1634254718 XRHYDLAFFNMPQE-LLVKDONJSA-N 303.322 1.200 10 10 DDCE C[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)c1ccccc1O 1632255731 URHZWPCEVCEONF-QMMMGPOBSA-N 310.331 1.124 10 10 DDCE Cc1nc(N)nc(C)c1C(=O)NCc1cccc(Cl)c1O 1647830278 QFNRSMQWCCSJOG-UHFFFAOYSA-N 306.753 1.965 10 10 DDCE NC(=O)COc1ccc(C(=O)NCc2c(O)cccc2F)cc1 1645048285 OFDFQEXQRXMPBG-UHFFFAOYSA-N 318.304 1.325 10 10 DDCE CN(Cc1nnc(O)o1)C(=O)c1cc2cc(O)c(O)cc2s1 1654646997 QZLNWRDCGSXEMQ-UHFFFAOYSA-N 321.314 1.673 10 10 DDCE COc1cccc(CNC(=O)NCc2nc(C(C)C)n[nH]2)c1O 1682831479 HBCVRYYFJKTWIZ-UHFFFAOYSA-N 319.365 1.642 10 10 DDCE CNCc1ccc(N(C)C[C@H](O)COC)c(C(F)(F)F)c1 163699566 FIWNOVHZATYQLQ-NSHDSACASA-N 306.328 1.868 10 10 DDCE CN(CC(N)=O)c1ccc(CNC2CC2)c(C(F)(F)F)c1 167356209 XLZOXOAISYDTPJ-UHFFFAOYSA-N 301.312 1.879 10 10 DDCE OCCC[C@H](CO)NCc1c(O)cccc1Br 1942755272 KBAVWPRBKBOCCZ-SECBINFHSA-N 304.184 1.378 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)c(Cl)c1 2144167069 NMMYYYMHKSPWJP-MVWJERBFSA-N 314.838 1.841 10 10 DDCE COc1cc(Cl)cc(CN(CCO)CCC(=O)O)c1O 1963427981 SWGKTHZLRONSHL-UHFFFAOYSA-N 303.742 1.323 10 10 DDCE C[C@@H]1C[C@H](NCc2ccc(F)c(F)c2O)CCS1(=O)=O 2143958566 PKFCXBHKORSBEW-PSASIEDQSA-N 305.346 1.726 10 10 DDCE Cc1ccc(O)c(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 1985827240 ISQVIXCHFBTUFC-UKRRQHHQSA-N 322.405 1.770 10 10 DDCE CCOC(=O)[C@](C)(CS(=O)(=O)CC)NCCCN=[N+]=[N-] 2170495898 CLAKSJGWLRTGPT-NSHDSACASA-N 306.388 1.033 10 10 DDCE CCNC(=O)c1cn([C@@H](C)c2cc(OC)ccc2O)nc1O 2070634772 DQUOQDYGYLVJEM-VIFPVBQESA-N 305.334 1.662 10 10 DDCE Nc1ccc(NC(=O)CN2CCSCC(F)(F)C2)cc1 2193334835 PJONDMOGTYHGNQ-UHFFFAOYSA-N 301.362 1.891 10 10 DDCE C[C@H](Sc1ncc(C(F)(F)F)s1)C(=O)NCC(=O)O 2231157165 BSSHCYWOQUEDSC-BYPYZUCNSA-N 314.310 1.843 10 10 DDCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)NC1CCS(=O)(=O)CC1 2234172133 RMFORLHQLTVTFE-NXEZZACHSA-N 301.372 1.094 10 10 DDCE CSc1ncc(CNC(=O)c2ccc(C(=O)O)cn2)s1 2284556505 ZJIKIKVQERSVEH-UHFFFAOYSA-N 309.372 1.888 10 10 DDCE CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(C)C2=O)c(O)c1 2313466090 KZJDMWRCVXKZPY-UHFFFAOYSA-N 317.345 1.330 10 10 DDCE Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2CN)c(O)c1Br 2327583688 ODMAWNAQHNMSEU-NXEZZACHSA-N 313.195 1.674 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Nc1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(F)(F)C3)cc1 861508284 NFAFFDNNAOIJQI-RYUDHWBXSA-N 309.316 1.996 10 10 DDCE O=C(COC[C@@H]1CCCO1)NCc1ccc2cccnc2c1O 862028105 PTXIKESMFZJUTM-AWEZNQCLSA-N 316.357 1.752 10 10 DDCE COc1cc(CN2CCN(c3nccnn3)CC2)c(O)cc1C 863272158 MYAHLIYYRKOOAY-UHFFFAOYSA-N 315.377 1.216 10 10 DDCE CCOc1ccc(CNC[C@]23COCCN2C(=O)OC3)c(O)c1 865770679 UNRVZTLTGDJCNU-MRXNPFEDSA-N 322.361 1.102 10 10 DDCE COC(=O)c1cnc(SC[C@H](O)CC2(O)CCC2)s1 871980529 BSLYSBCAGODAEY-MRVPVSSYSA-N 303.405 1.688 10 10 DDCE CNC(=O)[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)C(C)C 775035104 VBGGRKJAAIXLSU-NSHDSACASA-N 311.338 1.169 10 10 DDCE Cc1cc(Br)c(O)c(CN2C[C@@H](O)C[C@@H](O)C2)c1 781907550 ICGIVEFXQSRUDO-PHIMTYICSA-N 316.195 1.391 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)CN2CCOCC2)c1 783652578 XCYKBMCCELUZPL-STQMWFEESA-N 322.405 1.546 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 795249412 TZJZNSPYQTXBJR-QEHWCHDUSA-N 322.317 1.779 10 10 DDCE O=C(Cc1ccc(-n2cnnc2)cc1)NCc1ccc(O)cc1O 1142533487 MFGMTXFHCCJNRH-UHFFFAOYSA-N 324.340 1.537 10 10 DDCE O=C(CNC(=O)CC1CCCCC1)NCc1cc(O)ccc1O 1303223169 CYOOIOCIWPZZHF-UHFFFAOYSA-N 320.389 1.801 10 10 DDCE CN(C[C@H]1COCCO1)C(=O)c1ccc(N=NC(N)=O)cc1 1165684130 XVRGNHYJKGNMPE-LBPRGKRZSA-N 306.322 1.336 10 10 DDCE C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCc1c(O)cccc1O 1456326620 YXVIHUOYKRLEQZ-VFZGTOFNSA-N 301.346 1.803 10 10 DDCE O=C(NCc1noc(C(F)(F)F)n1)c1c(F)ccc(O)c1O 1611231620 RVDPSTHHCKOEJS-UHFFFAOYSA-N 321.186 1.569 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@H](C2CCC2)C1 1624984749 MSTCZNYTLUAQOV-CQSZACIVSA-N 305.374 1.915 10 10 DDCE COCCN(CCN(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 1628695616 VVKVNWSNZRPTDK-UHFFFAOYSA-N 321.381 1.499 10 10 DDCE O=C(NCc1ccccc1O)[C@@H]1C[C@]12C(=O)Nc1ccccc12 1630363100 JDLOAVKRYAZHCD-SCLBCKFNSA-N 308.337 1.918 10 10 DDCE COc1ccc(CNC(=O)c2ccc3oc(O)nc3n2)c(O)c1 1635042965 YEVVAERHHSOVEP-UHFFFAOYSA-N 315.285 1.573 10 10 DDCE Cc1cc2[nH]nc(NC(=O)c3cccc(O)c3O)c2c(=O)n1C 1630671176 HIRJOVUNONLJFX-UHFFFAOYSA-N 314.301 1.234 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)[C@@H](C)CC(N)=O)cc1C 1491545429 BORWNCQZPYQGAU-QWHCGFSZSA-N 321.421 1.109 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1cccc(-n2[nH]nnc2=N)c1 1635658006 FREZSLUSLMMANC-UHFFFAOYSA-N 324.344 1.053 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)C(C)(C)C)cc1C 1568589946 WQMZGXJFRQSVIH-CQSZACIVSA-N 308.422 1.616 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3C[C@H](O)C[C@H]2C3)cc1 1641602493 XCSSUSWNEOYAOM-WQAKAFBOSA-N 302.334 1.834 10 10 DDCE CCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1735561222 CGFQOUOVZCEGSK-WDEREUQCSA-N 323.393 1.522 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)CN(C)C(C)=O)cc1C 1662169469 MIANQWVNZKSWKD-CYBMUJFWSA-N 321.421 1.076 10 10 DDCE CNC(=O)[C@@H]1CCCN1c1ccc(CN)cc1C(F)(F)F 163697503 BAOGUGHIMXZZBJ-LBPRGKRZSA-N 301.312 1.879 10 10 DDCE CNCc1ccc(N2CCNC(=O)CC2)cc1Br 234450067 QNKKWOCEXNZSBW-UHFFFAOYSA-N 312.211 1.495 10 10 DDCE CC[C@@H](C(N)=S)S(=O)(=O)N(C)Cc1ccccc1O 1877529158 NQCSZZMFHDADAM-NSHDSACASA-N 302.421 1.219 10 10 DDCE O=C1CCN(Cc2cc(Br)cc(F)c2O)CCN1 894002951 AREVGTXSIHVUCW-UHFFFAOYSA-N 317.158 1.616 10 10 DDCE CN(CC[C@@H](O)CO)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977929319 JJUXWYQMZRDVDW-OAHLLOKOSA-N 324.421 1.891 10 10 DDCE CO[C@]1(CO)CCN(c2ccc(CN)c(Br)c2)C1 402946677 PEPFJJSKRMWAOO-CYBMUJFWSA-N 315.211 1.495 10 10 DDCE NCc1ccc(N2CCC[C@]23CCS(=O)(=O)C3)c(Cl)c1 2158463534 YPWINSWLSYQANH-CQSZACIVSA-N 314.838 1.956 10 10 DDCE Cc1nc(CCNCc2cccc(Br)c2O)n[nH]1 392349213 IEMOQHFJKJRBNS-UHFFFAOYSA-N 311.183 1.914 10 10 DDCE CNC(=O)CN(C)c1ccc([C@H](C)NC)cc1Br 723182632 NDTQTZSYQZSDKI-VIFPVBQESA-N 314.227 1.912 10 10 DDCE C[C@H](N)c1cc(F)c(N2CCS(=O)(=O)C[C@@H]2C)c(F)c1 2194703644 UZOLHLQKNAYVFM-IUCAKERBSA-N 304.362 1.608 10 10 DDCE O=S1(=O)CC[C@@H]2CN(Cc3cccc(Cl)c3O)C[C@@H]21 2088815955 UWXZOHKMFDUNRR-SKDRFNHKSA-N 301.795 1.665 10 10 DDCE NC(=O)[C@H]1CCN1c1ccc(CNC2CC2)cc1Br 2089357532 AHNGVSOFIYNTNY-CYBMUJFWSA-N 324.222 1.765 10 10 DDCE NS(=O)(=O)C1(CNCc2ccc(Cl)cc2O)CCC1 2090123567 DOJFAFVMEPCYIB-UHFFFAOYSA-N 304.799 1.346 10 10 DDCE CSc1ncc(CN[C@H]2CCS(=O)(=O)[C@@H](C)C2)s1 2257105796 RMKQUZBRYCFDOM-IUCAKERBSA-N 306.478 1.920 10 10 DDCE COCCNCc1cnc(SC[C@@H]2NCC[C@@H]2C)s1 2273194617 BMRRUMKLYJMIQY-JQWIXIFHSA-N 301.481 1.969 10 10 DDCE CSc1ncc(CNC(=O)[C@@]23CCC[C@]2(F)CNC3)s1 2284495766 CCVZCGZVWOWDSC-STQMWFEESA-N 315.439 1.963 10 10 DDCE CSc1ncc(CN2CCC(=O)N[C@@H](C3CC3)C2=O)s1 2284666826 QOCIYHIPFJLEEL-NSHDSACASA-N 311.432 1.492 10 10 DDCE CC(C)(C)N1C[C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)CC1=O 2308001847 UVLTXIWWVAUNHA-LBPRGKRZSA-N 318.373 1.627 10 10 DDCE Cc1cc(C[C@@H](C)NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 2308002143 ZMWZXKPFAHWFFH-SNVBAGLBSA-N 301.346 1.890 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@H](Sc2ncc(CCN)s2)C1 2319423720 VKRHDHNSPZSDTR-WCBMZHEXSA-N 306.478 1.702 10 10 DDCE Cc1ccc(CN2C(=O)N[C@H](C)C2=O)c(O)c1Br 2327630906 NAUWELLRQQWRBN-SSDOTTSWSA-N 313.151 1.903 10 10 DDCE Cc1ccc(CN2C[C@H](O)CCC2=O)c(O)c1Br 2327796216 DGQGECMVNCBMJN-SNVBAGLBSA-N 314.179 1.946 10 10 DDCE COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(O)nc(O)c1 170223532 QEWMQQNUDWKBCO-UHFFFAOYSA-N 305.246 1.662 10 10 DDCE COC[C@H](O)CN(C)c1ccc([C@@H](C)N)cc1Br 103953313 VIAUOTZLULHPCS-MWLCHTKSSA-N 317.227 1.912 10 10 DDCE CS(=O)(=O)c1cccc(C(=O)NCc2ccc(N)cc2)c1 37666219 MYNKNHWFGPZDOM-UHFFFAOYSA-N 304.371 1.602 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(C2(C(=O)O)CC2)cs1 2365282404 ANFHASZAOCEXBG-UHFFFAOYSA-N 319.408 1.258 10 10 DDCE C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)c1nccs1 80269676 WGYPKFGKAOEQCT-WPRPVWTQSA-N 307.375 1.302 10 10 DDCE CN(C)c1ccc([C@H](N)c2c(Br)nnn2C)cc1 234253505 XTCMPGWAERULLX-JTQLQIEISA-N 310.199 1.692 10 10 DDCE O=C1C[C@@H]([C@@H]2CCCCN2Cc2cc3c(cc2O)OCO3)CN1 92105882 BLWAISMSIJGESU-YPMHNXCESA-N 318.373 1.612 10 10 DDCE C[C@@H]1CNCCN1[C@@H](C(=O)N(C)C)c1ccc(N(C)C)cc1 251840468 QKQWXAQECWOKRZ-CZUORRHYSA-N 304.438 1.176 10 10 DDCE COC(=O)/C=C/c1ccc(N2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 279541298 SBDNWNIPQAXLMV-HZRUHFOJSA-N 320.345 1.988 10 10 DDCE NC(=O)[C@H]1CC[C@H](CNCc2cc3c(cc2O)OCO3)CC1 817412049 BULJMRSNMOGVFO-XYPYZODXSA-N 306.362 1.502 10 10 DDCE CC(C)[C@@H]1C(=O)NCCN1C(=O)/C=C\c1ccc(O)c(O)c1 588406703 LJTJBHLQCOEBCL-ZDTYVGOBSA-N 304.346 1.094 10 10 DDCE c1cc(N2CCOCC2)ccc1CN[C@H]1CCO[C@]12CCOC2 903076526 ROCVCIBPRDISMN-ROUUACIJSA-N 318.417 1.561 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CCC[C@]12CCNC2 903870601 NYSWZSPJBZBYSI-GOSISDBHSA-N 301.434 1.851 10 10 DDCE Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCc2nc(F)ccc21 912620656 FGWLZMUCDMSDLO-UHFFFAOYSA-N 302.309 1.088 10 10 DDCE Nc1ccc(CCNC(=O)N2CC[C@H](N3CC=CC3)C2)cc1 841954102 HWCYAXRHBOUGNE-INIZCTEOSA-N 300.406 1.467 10 10 DDCE CCN(CC)CC[C@H](CO)NC(=O)c1c(F)ccc(O)c1O 848376797 LBEIFSDTDTZENA-SNVBAGLBSA-N 314.357 1.060 10 10 DDCE C[C@@H]1CNCC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C 841759360 NLWPEXJNNBEZMF-CJNGLKHVSA-N 316.449 1.866 10 10 DDCE CC(C)[C@H]1CNCCN1Cc1ccc(N2CCOCC2)cc1 923398782 LXGOTMDHRYGYIH-GOSISDBHSA-N 303.450 1.953 10 10 DDCE O=C(NCc1c(O)cccc1F)NC[C@H]1CN(C2CC2)C(=O)O1 923131259 SCGFHDHPNJXSPN-JTQLQIEISA-N 323.324 1.314 10 10 DDCE CCn1cncc1S(=O)(=O)NCc1cc(OC)ccc1O 751417031 FHWQUIOQRCPOIA-UHFFFAOYSA-N 311.363 1.096 10 10 DDCE COc1cc(O)c(CN2CCC3=C(CCC(=O)N3)C2)cc1OC 853519958 KZDHQSJUPVVKFR-UHFFFAOYSA-N 318.373 1.779 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C3(N(C)C)CC3)C2)cc1 855223291 GJQZEONEVDNWFC-CYBMUJFWSA-N 303.406 1.484 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CCCCCN)C2)cc1 852844004 MORCPJIXYXFDHU-CQSZACIVSA-N 305.422 1.909 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CC[C@H](Nc2cnccn2)CC1 924357534 NXWVYFXIEMIXLS-HAQNSBGRSA-N 305.334 1.149 10 10 DDCE CNC(=O)C1(NCc2cc(Cl)c(F)cc2O)CCOCC1 895883492 BRWKMUDGHHTUBN-UHFFFAOYSA-N 316.760 1.570 10 10 DDCE CCO[C@@H]1COC[C@H]1NC(=O)NCc1cccc(Cl)c1O 895254584 AVRGZTQUJKPALM-VXGBXAGGSA-N 314.769 1.649 10 10 DDCE O=C(NCc1n[nH]cc1Br)c1ccc(O)c(O)c1 718815430 ROFITHJWMMIPCK-UHFFFAOYSA-N 312.123 1.513 10 10 DDCE CCC[C@@H](C)N1C[C@@H](C(=O)NCc2cc(O)ccc2O)CC1=O 1176748681 ZKULQWGQEDFVQM-YPMHNXCESA-N 320.389 1.751 10 10 DDCE COc1cc(Cl)cc(CN2CC[C@@](N)(C(=O)O)C2)c1O 229192333 PJXMBZHZOWNDSL-ZDUSSCGKSA-N 300.742 1.042 10 10 DDCE CC[S@](=O)(=NS(=O)(=O)Cc1ccc(N)cc1)C(C)C 1913863906 WHPGTNLDRWTNKT-GOSISDBHSA-N 304.437 1.995 10 10 DDCE CN(C)S(=O)(=O)C[C@@H](N1CC[C@H](N=[N+]=[N-])C1)C(F)(F)F 1912197031 OGOJNDZBELVQAN-JGVFFNPUSA-N 315.321 1.193 10 10 DDCE COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1cccnc1 1468217045 SZODUIXSCAXBOD-LBPRGKRZSA-N 302.286 1.137 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)[C@H]1CCc2nnc(O)n2C1 1628680651 PTNHEICJJWAZHB-QMMMGPOBSA-N 322.752 1.222 10 10 DDCE O=C1C[C@H](C(=O)NCc2c(O)cccc2O)[C@H]2CCCC[C@H]2N1 1558535059 DEUYZGNENIDHHE-NTZNESFSSA-N 318.373 1.409 10 10 DDCE Cn1cnnc1[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1567182178 DXZYWIKDACZESQ-LLVKDONJSA-N 302.334 1.133 10 10 DDCE COc1c(O)nc(O)nc1C(=O)N[C@H](C)c1ccccc1O 1635799299 XSEDNFLEPCMWKZ-SSDOTTSWSA-N 305.290 1.093 10 10 DDCE CCn1nc(C)c(CC(=O)NCc2c(O)cccc2O)c1C 1647290268 QKXPUTCUIOTDHY-UHFFFAOYSA-N 303.362 1.790 10 10 DDCE O=C(C[C@@H]1CC(=O)NC1=O)NCc1c(O)ccc2ccccc12 1597743186 YAMVKHYHXKVQOO-LLVKDONJSA-N 312.325 1.214 10 10 DDCE COC(=O)CCN1C(=O)/C(=C/c2ccccn2)SC1=S 5586635 XFMDOLFYFNWMCJ-NTMALXAHSA-N 308.384 1.846 10 10 DDCE Cc1nc2ccccn2c1/C=C1/SC(=S)N(CCO)C1=O 1858587792 BGSFDRHCXGPXJY-DHZHZOJOSA-N 319.411 1.836 10 10 DDCE CCOc1cccc(CNCCC(=O)N(C)CCC(=O)O)c1O 1857864072 VLBUFXLBIVDQTR-UHFFFAOYSA-N 324.377 1.204 10 10 DDCE CS(=O)(=O)N[C@H]1CCN(Cc2c(O)cccc2Cl)C1 128630116 HJXZZYJJLJGGNF-VIFPVBQESA-N 304.799 1.169 10 10 DDCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCCCN(Cc2ccccc2)C1 1980551450 HAXXSHKSDYRCNQ-INIZCTEOSA-N 316.409 1.797 10 10 DDCE CN[C@H](C)c1ccc(N2CC(CS(C)(=O)=O)C2)c(F)c1 2159434924 ONFYUBKKCZFZNL-SNVBAGLBSA-N 300.399 1.587 10 10 DDCE CC(=O)C(=O)[C@@H](O)c1cc(Br)c2c(c1)OCCO2 2030458569 DNHJSHGHOUEKNU-NSHDSACASA-N 315.119 1.412 10 10 DDCE COc1ccc([C@H](C)NCCCCS(N)(=O)=O)c(O)c1 312319638 BMSQNBCLYWEAAL-JTQLQIEISA-N 302.396 1.120 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)C[C@@H]3CCOC3)c2n1 2062191853 LIIPWOLPKUACGF-ONGXEEELSA-N 304.350 1.288 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@@H]3C(C)(C)O)c2n1 2062743655 GKMBCAJSUHHSAK-LLVKDONJSA-N 304.350 1.119 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCC[C@@H]3CC(C)(C)CO3)c2n1 2063216041 ZGDGQTZKJHAHFE-LLVKDONJSA-N 318.377 1.678 10 10 DDCE CCCN(CCS(C)(=O)=O)c1ccc(CN)c(F)c1F 2170153821 UJMNUCTVCFGKLL-UHFFFAOYSA-N 306.378 1.685 10 10 DDCE CN[C@H](C)c1ccc(N2CC(O)(CO)C2)cc1Br 2051903947 ZDWDPBPFZRUNTR-SECBINFHSA-N 315.211 1.273 10 10 DDCE N[C@H]1CC(CN2CCc3cc(Br)ccc32)=C[C@H]1O 2067764421 AHLFHQLWGAHVGC-GXTWGEPZSA-N 309.207 1.830 10 10 DDCE COC1CC(CO)(NCc2cccc(Br)c2O)C1 2077893964 IUJMMSJDVQTFAT-UHFFFAOYSA-N 316.195 1.784 10 10 DDCE Nc1ccc(NC(=O)CN2CCCC[C@@H]2C2OCCO2)cc1 2089566782 COQWDJGIJXLSRG-CQSZACIVSA-N 305.378 1.435 10 10 DDCE Nc1cc(=NCCc2ccc(O)c(O)c2)[nH]cc1Br 2231039433 FQDIVNRGMHLABN-UHFFFAOYSA-N 324.178 1.914 10 10 DDCE CSc1ncc(CNC(=O)NC2(C(=O)O)CC=CC2)s1 2284503746 GOHWBGIRUSTEGT-UHFFFAOYSA-N 313.404 1.838 10 10 DDCE C[C@@H](CNC(=O)C=Cc1ccc(N2CCOCC2)cc1)C(=O)O 2311973855 CSKIQAPSFMVRTK-ZDUSSCGKSA-N 318.373 1.373 10 10 DDCE CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)NN1CCOCC1 2313682294 ZKVLKATURQDDCU-UHFFFAOYSA-N 318.352 1.659 10 10 DDCE CCN[C@@H](C[C@H]1CCN(c2ccc3c(c2)OCO3)C1)C(=O)O 107944378 JIAYIWXAGHHNOR-YPMHNXCESA-N 306.362 1.694 10 10 DDCE Cc1nc(NN(C)S(=O)(=O)C(C)C)sc1CC(=O)O 2339731698 FIYNXSOODFCRMG-UHFFFAOYSA-N 307.397 1.076 10 10 DDCE CC[C@@](NCc1cnc(SC)s1)(C(=O)O)C1CNC1 2349500203 ITVSNAFZAJENFX-LBPRGKRZSA-N 301.437 1.407 10 10 DDCE CCNCc1ccc(N(C)C(CO)CO)c(Br)c1 310835673 LGHRULJOLXDYAT-UHFFFAOYSA-N 317.227 1.348 10 10 DDCE C[C@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccc(F)c(F)c1 72680448 BWBYDVBTMOJSPZ-QMMMGPOBSA-N 323.299 1.550 10 10 DDCE NC(=O)Cc1occc1C(=O)N1CCc2cc(F)c(F)cc21 349874659 MVTSRGKBFQMODV-UHFFFAOYSA-N 306.268 1.789 10 10 DDCE CCNCc1ccc(N2C[C@@H](O)C[C@H]2CN(C)C)c(Cl)c1 250176406 KHQYGFKDCPPRTF-KBPBESRZSA-N 311.857 1.951 10 10 DDCE CC(=O)NCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 253494669 YJKRGSNNPQVRBF-HNNXBMFYSA-N 320.389 1.426 10 10 DDCE CN1CCCc2cc(CNC(=O)c3cccnc3C(N)=O)ccc21 274197139 MQXHDGYTCKGANZ-UHFFFAOYSA-N 324.384 1.493 10 10 DDCE CC(=O)C(=O)COC(=O)C[C@@](O)(c1ccc(C)o1)C(F)(F)F 808500007 DDNFFANQWQPDMQ-GFCCVEGCSA-N 322.235 1.429 10 10 DDCE CC(=O)C(=O)COC(=O)CC(C)(C)NC(=O)OC(C)(C)C 808520387 QERMBROVFJZUES-UHFFFAOYSA-N 301.339 1.381 10 10 DDCE C[S@@](=O)CC1CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 2166650419 HOVABPGNTHKABN-MPBGBICISA-N 313.810 1.107 10 10 DDCE CN(C)c1ccc([C@H](N)CN[C@@H]2CCC(=O)NC2(C)C)cc1 817942527 PKAKFNIKVVHFLN-HUUCEWRRSA-N 304.438 1.399 10 10 DDCE CC(C)(C)OC(=O)N1CCCNC[C@@H]1c1cc(O)nc(O)c1 1952860847 FQHPDBIELLUBBY-LLVKDONJSA-N 309.366 1.764 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCc3nn(C)c(=O)cc3C2)cc1 835028262 KXFXKCUXHADERA-PLNGDYQASA-N 324.428 1.918 10 10 DDCE COC(C)(C)CS(=O)(=O)Nc1ccc(O)cc1C(C)=O 840914531 VDLYGPQIXLRLTR-UHFFFAOYSA-N 301.364 1.762 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCCO3)C2)cc1 849225505 VQWVSAXVSIHELC-CZUORRHYSA-N 319.405 1.752 10 10 DDCE C[C@@H](O)[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 840977430 KRDUPLMANDIJMY-PBHICJAKSA-N 306.406 1.105 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H](C(=O)O)C3CC3)CC2)cc1 852943187 SOTWAARWPBYRNW-HNNXBMFYSA-N 318.373 1.455 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)N(C)C)C2)cc1 852371419 GCIGFATVFQRWFT-KBPBESRZSA-N 320.437 1.523 10 10 DDCE O=S1(=O)CCN(c2ccc(CN[C@H]3CCCOC3)cc2)CC1 765979484 KJIUYLWALCUDNW-HNNXBMFYSA-N 324.446 1.190 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCC(=O)NCc1ccco1 779480072 RZVCWCYMPHNMOM-GQCTYLIASA-N 316.313 1.137 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCC[C@@H](O)C(F)(F)F)cc1 1139313102 YGGXRWRMSQVKCD-SECBINFHSA-N 318.255 1.892 10 10 DDCE CCC(=O)N1CCCC[C@H]1C(=O)NCc1c(O)cccc1O 1156880782 AUSMXBKKLJWGJF-LBPRGKRZSA-N 306.362 1.505 10 10 DDCE Cc1oc2ncnc(O)c2c1C(=O)NCc1c(O)cccc1O 1304049663 CFPSZGPLMSZJSW-UHFFFAOYSA-N 315.285 1.578 10 10 DDCE CC(C)c1noc(CCC(=O)NCc2c(O)cccc2O)n1 1156880952 IZKBFQXHHAFGCE-UHFFFAOYSA-N 305.334 1.853 10 10 DDCE COCCN[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1317291767 YCNUQWDELZTUMX-SNVBAGLBSA-N 307.354 1.203 10 10 DDCE COC(=O)c1oc(C(=O)NCc2cc(O)ccc2O)cc1C 1176755477 QESJWHDZFACABS-UHFFFAOYSA-N 305.286 1.716 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)NC2CCC=CCC2)cc1 1332072298 XUODXFDNURZYPG-UHFFFAOYSA-N 315.417 1.984 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)COCC 1347152151 CTHXFJRGTOAVGK-ZDUSSCGKSA-N 322.405 1.672 10 10 DDCE NC(=O)c1ccc(/C=C/C(=O)NCc2ccc(O)cc2O)o1 1451763946 CZOGQORRDYLWAS-GQCTYLIASA-N 302.286 1.119 10 10 DDCE NS(=O)(=O)c1ccsc1C(=O)NCc1ccccc1O 1465990900 WKTJBHSVDGZUFP-UHFFFAOYSA-N 312.372 1.031 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCOc2cc(O)ccc2C1 1640437743 PBWUZCJJFZHRRC-UHFFFAOYSA-N 315.325 1.767 10 10 DDCE COCCNCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1733147881 MAZYNCDZMCRRSW-UHFFFAOYSA-N 321.381 1.547 10 10 DDCE CCCC(=O)NC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1579295582 IWTDZOFSQOHBGA-SNVBAGLBSA-N 309.366 1.133 10 10 DDCE Oc1ccc2c(c1)OC[C@@](O)(Cc1ccc(O)c(O)c1)[C@H]2O 13481873 MPGFEHZDABUJFR-HOTGVXAUSA-N 304.298 1.203 10 10 DDCE biogenic CC(C)(C)OC(=O)N[C@@H](CO)CN[C@H]1CCc2cccc(O)c21 1985856526 BZVALJUELHASNT-OLZOCXBDSA-N 322.405 1.855 10 10 DDCE CNCc1ccc(N2CC([S@@](C)=O)C2)cc1Br 2004523053 SQPUVKURQRAMKY-QGZVFWFLSA-N 317.252 1.736 10 10 DDCE Cn1cnnc1CCNCc1ccc(Br)cc1O 691460368 AADRWFQEVRSPOD-UHFFFAOYSA-N 311.183 1.616 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H](F)[C@@H](C(=O)O)C2)s1 2284507717 MTFYGPYZQVJSGE-YUMQZZPRSA-N 319.383 1.429 10 10 DDCE O=C(O)CCCNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2301549601 MIOZAYVMVWOOLQ-UHFFFAOYSA-N 318.373 1.517 10 10 DDCE CSc1ncc(CNC[C@@H]2[C@@H](CO)[C@@H]3CC[C@H]2O3)s1 2334410683 HHEYSRWJTQKXKD-KKOKHZNYSA-N 300.449 1.741 10 10 DDCE CCN(CC)c1ccc(CNC(=O)CC(=O)N(C)C)cc1F 172799626 LMMIUGCKXNMIND-UHFFFAOYSA-N 309.385 1.766 10 10 DDCE COc1cccc(CNC(=O)c2cccc(-n3ccnc3)n2)c1O 180798847 IMPNNWKYHKUPOW-UHFFFAOYSA-N 324.340 1.912 10 10 DDCE CCOc1ccc(O)c(CN2CCO[C@@H](c3nc(C)n[nH]3)C2)c1 180116997 KLKVLMYXGYPRAZ-OAHLLOKOSA-N 318.377 1.791 10 10 DDCE CN(C)c1ccc([C@@H]2NC[C@H](CSc3nnco3)O2)cc1 75330534 LWMCSHMWRMHILA-CHWSQXEVSA-N 306.391 1.915 10 10 DDCE COc1cc(Cl)cc(CN2CCO[C@H](CN(C)C)C2)c1O 184670599 CKXCKCBPBUVTPM-CYBMUJFWSA-N 314.813 1.817 10 10 DDCE CO[C@@H](CCS(C)(=O)=O)CNCc1cccc(C)c1O 2364221955 ZYOFWVUVWXMQFP-ZDUSSCGKSA-N 301.408 1.240 10 10 DDCE CNCc1ccc(OC)c(CS(=O)(=O)C2CCOCC2)c1 81990397 CIZURUHAFYYZJM-UHFFFAOYSA-N 313.419 1.508 10 10 DDCE COc1cc(Cl)c(N2CCN[C@@H](CCO)C2)c(OC)c1 2368288859 VTJBUQNZZKQMCJ-JTQLQIEISA-N 300.786 1.518 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2Cc1nc(N(C)C)no1 192772382 PNEXGFCXUNXTFX-UHFFFAOYSA-N 303.366 1.601 10 10 DDCE CCOC(=O)CC[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 272719173 ZDMUBODRIGUYGB-IOCXFXADSA-N 307.346 1.959 10 10 DDCE O=C(NCc1ccc(N2CC=CC2)cc1)NC1COCCOC1 813654767 XMVRKWMCRHUKIM-UHFFFAOYSA-N 317.389 1.277 10 10 DDCE C[C@@H](NCCS(=O)(=O)N=S(C)(C)=O)c1ccccc1O 903230275 YQXUVTDDXVURIQ-SNVBAGLBSA-N 320.436 1.100 10 10 DDCE CO[C@@](C)(CO)CNCc1cc(C)cc(Br)c1O 848559835 HIWMQFKAFWHZCJ-CYBMUJFWSA-N 318.211 1.950 10 10 DDCE COc1ccc(N2CC[C@@H](N3C(=O)N[C@@H](CF)C3=O)C2)cc1 849358522 XMADWINZMWPPPC-YPMHNXCESA-N 307.325 1.164 10 10 DDCE CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2O)C1 843432738 OSWIKWLVIGHDSJ-ZDUSSCGKSA-N 302.296 1.893 10 10 DDCE O=C1C[C@@H](CCNCc2ccc(N3CCOCC3)cc2)CN1 922785008 MTOAETRNZMTTOR-OAHLLOKOSA-N 303.406 1.139 10 10 DDCE CCN(CC)c1ccc(CNC[C@@]2(OCCO)CCOC2)cc1 850357397 IMABXPGPRVPDIZ-SFHVURJKSA-N 322.449 1.790 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCN(C)C3)C2)cc1 855226943 VBXRFCMONWWKES-UONOGXRCSA-N 303.406 1.342 10 10 DDCE CO[C@@H](CNC(=O)NCc1cc(C)ccc1O)[C@@H]1CCOC1 858599214 KIPPHEDCEOFQTF-DOMZBBRYSA-N 308.378 1.551 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3n[nH]c(C)c3O)C2)cc1 855231562 CMFKBKNEUBYDBZ-NSHDSACASA-N 316.361 1.441 10 10 DDCE CC1(C)OCC[C@@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O 853088897 KJLRTNICDIXSJA-CYBMUJFWSA-N 318.373 1.972 10 10 DDCE CNC[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851682774 WCBJAZJYGUQPPQ-QWHCGFSZSA-N 306.410 1.181 10 10 DDCE COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1cccc(O)c1O 862997992 SYHIJADBFSBYKB-ZYHUDNBSSA-N 323.345 1.186 10 10 DDCE COC(=O)Cc1occc1C(=O)N1Cc2cccc(O)c2C1 871205395 RWIOJDWLRQLYEN-UHFFFAOYSA-N 301.298 1.857 10 10 DDCE Cn1cc(-c2c[nH]cc2C(=O)NCc2ccc(O)c(O)c2)cn1 779002225 WPXKVNYQMVEWNU-UHFFFAOYSA-N 312.329 1.756 10 10 DDCE Cc1cc(Br)c(O)c(CNCC(=O)NC2CC2)c1 781627740 UYBZCSTUXDILCW-UHFFFAOYSA-N 313.195 1.831 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)cc1Cl 78904590 ZLWRGGPHUVAYLB-GXSJLCMTSA-N 302.827 1.983 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCN1C1CCOCC1 1156911613 OHOIBJCPHUSCOR-AWEZNQCLSA-N 320.389 1.010 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCC1CCC(F)CC1 1326157763 GERAGXHSCJGYKB-UHFFFAOYSA-N 322.380 1.995 10 10 DDCE COC[C@@H]1CC[C@H](Sc2nccs2)C[C@]1(N)C(=O)O 2127244184 UPJBDQVGGBCLIM-HOTUBEGUSA-N 302.421 1.832 10 10 DDCE CCN(C[C@H]1CCCO1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1351827585 KTLYTIKAVRUWEC-CYBMUJFWSA-N 318.373 1.262 10 10 DDCE CCC(=O)NC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1285568994 FJCYJFOBODWFFM-SNVBAGLBSA-N 319.365 1.836 10 10 DDCE O=C(CCCn1ccccc1=O)NCc1cccc(O)c1O 1521851916 QRAXTYBPYUAHOH-UHFFFAOYSA-N 302.330 1.356 10 10 DDCE Cc1nc([C@@H]2CCN(C(=O)Cc3ccc(O)c(O)c3)C2)n[nH]1 1469076521 FFNHVNSJRIDKBA-LLVKDONJSA-N 302.334 1.083 10 10 DDCE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)CN1CCCCC1 1543353090 DSFBAABGGRSHNC-ZDUSSCGKSA-N 306.406 1.879 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1ccc2c(n1)OCCO2 1566359334 ZNRPVULZGYTHEQ-UHFFFAOYSA-N 302.286 1.194 10 10 DDCE CC[C@@H]1C(=O)N(CC)CCN1C(=O)Cc1ccc(O)c(O)c1 1639101395 VKQVTJMPAJPCRU-GFCCVEGCSA-N 306.362 1.110 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@H](CO)[C@@H](CCO)C2)c1O 1560231270 PXPCOXPGTODSJJ-WCQYABFASA-N 311.353 1.157 10 10 DDCE O=C(NCc1c(O)cccc1O)c1csc(-c2ncc[nH]2)n1 1639292425 BOFYAPABSQOMFF-UHFFFAOYSA-N 316.342 1.874 10 10 DDCE COc1ccc(CNC(=O)[C@@]23CCC[C@]2(OC)OCC3)c(O)c1 1568098148 VTEFRTAPYPRFMA-IRXDYDNUSA-N 321.373 1.950 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)NCC(F)(F)F 127213037 YEIFLBWBRWYBBC-MRVPVSSYSA-N 312.313 1.782 10 10 DDCE CCOCCCNC(=O)CCNCc1ccc(N(C)C)cc1 1857858921 NCYYYEKIZBJWEB-UHFFFAOYSA-N 307.438 1.775 10 10 DDCE CS(=O)(=O)C[C@@H]1CN(c2ccc(CN)cc2Cl)CCO1 2143671084 HGIZAWKHSKYOEJ-NSHDSACASA-N 318.826 1.049 10 10 DDCE C[C@@H](CC(N)=O)N(C)c1ccc(CO)c(Br)c1 1946071457 KCTFBAKCDWKFDE-QMMMGPOBSA-N 301.184 1.642 10 10 DDCE CC1([C@H]2CCCCN2C(=O)COc2ccc(N)cc2)OCCO1 2145803105 FTLGORUEMPIBGB-OAHLLOKOSA-N 320.389 1.792 10 10 DDCE CCC[C@@H](NCc1cc(Br)ccc1O)C(N)=O 2013568815 GJFDDENGXNAZFR-SNVBAGLBSA-N 301.184 1.898 10 10 DDCE CNC(=O)OC1CN(c2ccc(CO)c(Br)c2)C1 2030282353 VYKIYZCAXZIGGV-UHFFFAOYSA-N 315.167 1.486 10 10 DDCE COc1cc(Cl)cc(CN[C@H](C)CCS(C)(=O)=O)c1O 2160842399 YZURDANYKMNJNM-SECBINFHSA-N 321.826 1.967 10 10 DDCE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)CCOc1ccc(N)cc1 2170630514 KGGIVWWHOXTHIA-NWDGAFQWSA-N 300.424 1.401 10 10 DDCE Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@@H](O)C[C@H]1O 2046487500 CXLLRKYPUFODNX-FBIMIBRVSA-N 320.158 1.268 10 10 DDCE CN(Cc1cccc(Br)c1O)[C@@H]1CC(=O)NC1=O 2051513159 GVBBQFRSJXNNET-SECBINFHSA-N 313.151 1.002 10 10 DDCE CN([C@@H]1CCOC[C@@H]1F)S(=O)(=O)Cc1ccc(N)cc1 2186749171 QYHFUVSYVBRXIN-QWHCGFSZSA-N 302.371 1.157 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@@H](O)[C@H](O)C2)c(Br)c1 2068407589 SUONMUHHRJQLDK-BZHVJNSISA-N 316.195 1.434 10 10 DDCE COc1cc(N(C)CC(C)(C)S(C)(=O)=O)ccc1CO 2204542894 GPFZEHOVFUZYPW-UHFFFAOYSA-N 301.408 1.447 10 10 DDCE CN(c1ccc2c(c1)NC(=O)[C@@H]2O)C1CSCCSC1 2237054726 PNHOTUXHVSOFTD-CYBMUJFWSA-N 310.444 1.957 10 10 DDCE CSc1ncc(CNS(=O)(=O)CC(C)(C)CO)s1 2261275220 JQWCEKYMKGULML-UHFFFAOYSA-N 310.466 1.303 10 10 DDCE CSc1ncc(CNC[C@@H](CN)C2CCOCC2)s1 2269317979 ZZYIBVOQEWPIDV-LLVKDONJSA-N 301.481 1.956 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@H](C)C(C)C)cc1C 1278165396 WNWXJTIVQSNWDC-GDBMZVCRSA-N 322.449 1.862 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(C2CC2)c(C(=O)O)s1 2365283418 QLGOMOOQSHAWDH-UHFFFAOYSA-N 319.408 1.717 10 10 DDCE Cc1noc(C)c1CN(C)S(=O)(=O)Cc1ccc(N)cc1 41662575 DNHXDDVNHLRRKR-UHFFFAOYSA-N 309.391 1.835 10 10 DDCE CCN(Cc1cc(Br)ccc1O)[C@@H]1CCNC1=O 178206772 NHROUPOLCGIPKA-LLVKDONJSA-N 313.195 1.865 10 10 DDCE COc1cc2c(cc1OC)N(C)C[C@@H]2CCN1CCNCC1 527416113 BCMCERIGHXFEAT-ZDUSSCGKSA-N 305.422 1.533 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 808520656 WAFXSUPKIIBDGB-CQSZACIVSA-N 321.348 1.739 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc([N+](=O)[O-])c2cccnc12 808531902 AMOWDRIBGPKRKP-UHFFFAOYSA-N 302.242 1.458 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccn(C)c1=O 819755755 MZLUASBQKBSHQC-UHFFFAOYSA-N 307.346 1.507 10 10 DDCE COc1ccc(N2CC[C@H](CNC[C@H](O)COC(C)C)C2)cc1 819381307 XVLWGMCYLRNOAS-WBVHZDCISA-N 322.449 1.897 10 10 DDCE C[C@@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C1CCOCC1 832267415 RSUSVJWADLBBRX-CXAGYDPISA-N 319.449 1.931 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)C[C@@H](O)CN2C)c1 901127106 HWKOZQGCTCNGQA-LYOVBCGYSA-N 308.378 1.033 10 10 DDCE CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@@H](N(C)C)C2)cc1 847277840 VDKGNTWPGRENEJ-FZNQNYSPSA-N 304.438 1.892 10 10 DDCE COC[C@@H](CC(C)(C)C)NC(=O)C(=O)Nc1ccc(N)cc1 848601703 HIGHGMCTZATOEZ-CYBMUJFWSA-N 307.394 1.775 10 10 DDCE COC(=O)[C@@H]1CN(C(=O)C=C2CCNCC2)c2ccccc2O1 852814490 URJYHAUYTNRQTK-HNNXBMFYSA-N 316.357 1.263 10 10 DDCE CN(Cc1ccccc1O)C(=O)N[C@H]1CCc2nnn(C)c2C1 927849727 CJJXSANKASMBAR-LBPRGKRZSA-N 315.377 1.220 10 10 DDCE CCO[C@@H]1C[C@@H](NC(=O)NCc2c(O)cccc2F)[C@@H]1OC 922065944 OPOSXVNWZPBPQP-BNOWGMLFSA-N 312.341 1.523 10 10 DDCE Cc1cc(C(=O)N2C[C@@H](O)C[C@@H](O)C2)c(C)n1-c1ccccn1 755443267 PFPVJPFDBRWXLN-OKILXGFUSA-N 315.373 1.057 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCCC23CC3)c1 869749623 ZZVRGCUIKWYSIE-CYBMUJFWSA-N 324.402 1.826 10 10 DDCE COc1cccc(CNC(=O)COCc2ccnc(O)c2)c1O 860242360 ZIPHWGCQDWRPBP-UHFFFAOYSA-N 318.329 1.334 10 10 DDCE CC(=O)C(=O)COC(=O)c1coc(/C=C/C(=O)OC(C)(C)C)c1 873472747 KGKUMUDVOKNVHX-AATRIKPKSA-N 322.313 1.949 10 10 DDCE C[C@](O)(CNC(=O)Cc1ccc(O)c(O)c1)c1ccsc1 1136993425 NLVLUUBZKRQRIW-HNNXBMFYSA-N 307.371 1.726 10 10 DDCE COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(O)c1O 1303195602 XCZVXNLXUCXVON-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE CCc1nnc(O)c(C(=O)NCc2c(O)cccc2O)c1CC 1156885549 JFUYODUKOQZNME-UHFFFAOYSA-N 317.345 1.648 10 10 DDCE COc1ccccc1C(=O)C(=O)NCc1cc(O)ccc1O 1303225340 GKEZTKGKTULNEI-UHFFFAOYSA-N 301.298 1.606 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1C[C@@H]1C 1327679831 WWJDULVHNBJIRN-JSGCOSHPSA-N 304.390 1.903 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CNCC(C)C)C2)cc1 1333629034 GLJFGNXXKPYYPZ-AWEZNQCLSA-N 305.422 1.636 10 10 DDCE CC[S@](=O)(=NC[C@H](O)COc1ccc(N)cc1)C(C)C 1913893767 XFTIMSYTBDHAGO-RNODOKPDSA-N 300.424 1.905 10 10 DDCE COc1nscc1S(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1912149934 NDELDRVMRJFOGR-MRVPVSSYSA-N 317.396 1.863 10 10 DDCE CN(CCCN=[N+]=[N-])S(=O)(=O)c1cncc([N+](=O)[O-])c1 1912204821 YNDLZSXTTHLLON-UHFFFAOYSA-N 300.300 1.311 10 10 DDCE CCOc1cccc(CC(=O)NCc2cccc(O)c2O)n1 1352657586 HUBJBVVJHBFTKG-UHFFFAOYSA-N 302.330 1.750 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H](c2ccco2)C1 1445456957 UNUMTDDUVFHNQF-OAHLLOKOSA-N 303.314 1.833 10 10 DDCE CCOc1cc(CNCCOC)ccc1N(C)CCC(=O)O 212036967 GSINNPAEDJUXOO-UHFFFAOYSA-N 310.394 1.732 10 10 DDCE COc1cc(CNCC(=O)O)ccc1N1C[C@H](C)O[C@H](C)C1 212668128 KISQEMBCUQYMDQ-TXEJJXNPSA-N 308.378 1.483 10 10 DDCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)c1cc[nH]n1 1482922901 XSAJKXZZFZYYHT-UHFFFAOYSA-N 316.405 1.979 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)Cc1ccccc1 1556116781 YRKUVXNLCPFNPN-AWEZNQCLSA-N 301.342 1.360 10 10 DDCE COc1ccccc1[C@H](O)C(=O)NCCc1ccc(O)c(O)c1 1622753131 ICGFVGFFWGPKFA-INIZCTEOSA-N 317.341 1.499 10 10 DDCE COC(=O)c1cc(CNC(=O)c2cccc(O)c2O)ccn1 1641541346 ZHCLVXHABBYZHX-UHFFFAOYSA-N 302.286 1.209 10 10 DDCE CN(C)c1ccc(/C=C2\SC(=S)N(CCO)C2=O)cc1 16904896 YGHANUFNTWVVRD-XFXZXTDPSA-N 308.428 1.946 10 10 DDCE COCCn1ncc(NCc2ccc(N)cc2)c(Cl)c1=O 160043228 PHJCNXFHUGGGQU-UHFFFAOYSA-N 308.769 1.737 10 10 DDCE COCCNCc1ccc(N(CCO)CCOC)c(Cl)c1 164429497 REJNQGVKUCQXTN-UHFFFAOYSA-N 316.829 1.521 10 10 DDCE O=S1(=O)CC[C@@H]2CN(Cc3ccc(F)c(F)c3O)C[C@H]21 2145073699 ZRKDXCFGRQKVRN-LDYMZIIASA-N 303.330 1.289 10 10 DDCE CCCN1C(=O)C(=CNCC2CCCCC2)C(=O)NC1=S 2040476302 YATKPDRIXMBIAA-UHFFFAOYSA-N 309.435 1.694 10 10 DDCE COC(=O)[C@@H](C)CS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2183615080 BNKHNMKCFPPBBY-VHSXEESVSA-N 304.372 1.290 10 10 DDCE Oc1ccnc(CCNCc2cccc(Br)c2O)n1 2106915813 FOBRILHODADJCM-UHFFFAOYSA-N 324.178 1.983 10 10 DDCE CO[C@@H]1CN(c2ccc(CO)c(Cl)c2)[C@H](CO)[C@H]1OC 2233349719 AOHMGESHNALHBK-MGPQQGTHSA-N 301.770 1.043 10 10 DDCE COc1cc(C(=O)NCc2cnc(SC)s2)cc(=N)[nH]1 2295600063 YVPHLEAOPKHNMV-UHFFFAOYSA-N 310.404 1.611 10 10 DDCE COC(=O)c1ccc(C=C2SC(NC(C)=O)=NC2=O)cc1 2297321855 WEAVXDSBLQNCDH-UHFFFAOYSA-N 304.327 1.580 10 10 DDCE Cc1ccc(CNC(=O)C[C@H](C)N)c(O)c1Br 2307467045 UELGOYFLBZGVBD-QMMMGPOBSA-N 301.184 1.817 10 10 DDCE O=S1(=O)C[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]21 2336548161 GZVMIZRPIQJHCY-GZMMTYOYSA-N 322.213 1.928 10 10 DDCE Cc1ccc(CN=c2[nH]cnc(N)c2N)c(O)c1Br 2352626648 MWJUHUQJVUSVNM-UHFFFAOYSA-N 324.182 1.452 10 10 DDCE Nc1ccc2c(c1)CN(C(=O)c1cc(O)c(O)c(O)c1)CC2 170190504 XJVOPEBBMOJVKU-UHFFFAOYSA-N 300.314 1.584 10 10 DDCE CCN(Cc1cc(Br)ccc1O)S(N)(=O)=O 75543389 RSKYELYZWTVDNZ-UHFFFAOYSA-N 309.185 1.180 10 10 DDCE C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1cn[nH]c1 275178668 MPKURALSBWZFDB-LBPRGKRZSA-N 301.394 1.443 10 10 DDCE Cc1nc2n(n1)CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1O)C2 271159044 CKLJBWFGRLMXQM-UHFFFAOYSA-N 323.740 1.870 10 10 DDCE CN(Cc1ccc(N)cc1)S(=O)(=O)c1cnc(Cl)nc1 2162751829 LIISEAKEIDHFEG-UHFFFAOYSA-N 312.782 1.533 10 10 DDCE C[C@@H]1CC[C@@H](O)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 817774173 HFUZTNVWYWFVBB-DGCLKSJQSA-N 309.385 1.947 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)cc1F 829868634 BEAHSUNUVLLGKH-VIKVFOODSA-N 320.364 1.375 10 10 DDCE CN1CCN(c2ccc(CN3CCC[C@@]3(C)C(=O)O)cc2)CC1 902008343 XVQHPZKUHQIBNJ-SFHVURJKSA-N 317.433 1.878 10 10 DDCE O=C(CN1C(=O)CSC1=S)NCc1cnoc1C1CC1 585363897 QOLGIRQYPAVZJV-UHFFFAOYSA-N 311.388 1.029 10 10 DDCE COC(=O)[C@@H]1CSCCN(C(=O)c2cccc(O)c2O)C1 839934314 KXTKQNMHYBEBCP-VIFPVBQESA-N 311.359 1.076 10 10 DDCE Cc1nc2n(n1)C[C@H](NC(=O)NCc1c(O)cccc1F)CC2 916378557 QINNTVGQMVJQJM-SNVBAGLBSA-N 319.340 1.245 10 10 DDCE C[C@@H](NC(=O)NCCCN)c1ccc(N2CCOCC2)cc1 841740013 DBKTZFAIINHSDZ-CYBMUJFWSA-N 306.410 1.232 10 10 DDCE COc1cccc(CN2CCOC3(CCN(C)CC3)C2)c1O 843431321 BJCULQSXJABKAA-UHFFFAOYSA-N 306.406 1.697 10 10 DDCE COC[C@H](CN1CCN(c2ccc(OC)c(F)c2)CC1)OC 851806806 AEJQKLIWTLMDFA-AWEZNQCLSA-N 312.385 1.618 10 10 DDCE C[C@@H]1CN(C)C[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 756100695 MTPPYJSNHCEAKM-CZUORRHYSA-N 307.413 1.702 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C=O)n(C)n1 930905533 ICSZVBOUZBHRGL-UHFFFAOYSA-N 314.389 1.961 10 10 DDCE CCOC(=O)[C@]1(C)CN(C(=O)c2ccc(C)c(O)c2O)CCO1 871225842 YXAPVAHJKIZVID-INIZCTEOSA-N 323.345 1.200 10 10 DDCE COCc1ncc2c(n1)CCN(Cc1c(O)cccc1OC)C2 895415997 UKFYZUCCSIUDJG-UHFFFAOYSA-N 315.373 1.896 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nnc(C2CC2)o1 1138152916 SUOHSAIVMDSOKS-MRVPVSSYSA-N 303.318 1.719 10 10 DDCE O=C(Cc1cccc2nsnc12)NCc1ccc(O)cc1O 1142537316 HMPSOTOUNDHMGC-UHFFFAOYSA-N 315.354 1.961 10 10 DDCE COc1cc(CC(=O)NCc2cc(O)ccc2O)ccc1O 1303225464 ILQDOYAFTVNCPG-UHFFFAOYSA-N 303.314 1.671 10 10 DDCE CN(CCCCCCN)C(=O)C(=O)N(C)Cc1ccccc1O 1329642299 HULKMSXERYRHKE-UHFFFAOYSA-N 321.421 1.328 10 10 DDCE O=C(CCCOc1cccnc1)NCc1cccc(O)c1O 1347233342 IZQQVWMEUOPKOQ-UHFFFAOYSA-N 302.330 1.968 10 10 DDCE CN(C)CCN(C[C@H]1CCCO1)C(=O)Cc1ccc(O)c(O)c1 1443610276 RKGZBDREMHNRKS-CQSZACIVSA-N 322.405 1.210 10 10 DDCE COC1(CCN)CN(Cc2ccc(Br)cc2O)C1 1915971292 LAVWCPNSNDOUMT-UHFFFAOYSA-N 315.211 1.704 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc2oc(O)nc2n1 1299575125 XYXZICFYNWKPBQ-UHFFFAOYSA-N 301.258 1.270 10 10 DDCE CC[C@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC 1611169752 LSPFJPUNAVFKHA-AWEZNQCLSA-N 306.322 1.921 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCOC2CCOCC2)cc1 1472014432 GIVQKZFFDKRTLG-UHFFFAOYSA-N 320.349 1.774 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc(CO)c1 1544577659 QAEZHZGWOJQLQI-UHFFFAOYSA-N 313.357 1.679 10 10 DDCE COc1nc(Cl)nc(=NCc2cnc(SC)s2)[nH]1 2257014699 PZLAVERICVRZCH-UHFFFAOYSA-N 303.800 1.746 10 10 DDCE CC(C)[C@H](NCC(F)(F)F)C(=O)NCc1c(O)cccc1O 1558536449 YLNHKXGGRRZWMZ-LBPRGKRZSA-N 320.311 1.891 10 10 DDCE Cc1ccc(C(=O)N2Cc3c[nH]nc3C[C@@H](C)C2)c(O)c1O 1645214496 OXESDMKBHJUMKZ-SECBINFHSA-N 301.346 1.964 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@@H]1CCCN(CC(F)F)C1 1652625539 HLURLBXSXYVRKX-SNVBAGLBSA-N 314.332 1.691 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1scc2c1OCCO2 1593881154 GQFVQWPHSSGHDK-UHFFFAOYSA-N 307.327 1.861 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2cncn2C)cc1C 1699410886 ZZXOEIVRBQMYGE-ZDUSSCGKSA-N 316.405 1.645 10 10 DDCE Cc1cc(C)n([C@@H](C)C(=O)NCCc2ccc(O)c(O)c2)n1 156705844 GQWHXMDXMDIOGA-LBPRGKRZSA-N 303.362 1.831 10 10 DDCE COCCS(=O)(=O)CCN(C)[C@@H](C)c1ccccc1O 2143382072 DPLLTXFEQVNWJD-LBPRGKRZSA-N 301.408 1.446 10 10 DDCE CNCc1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)c(Cl)c1 2151285848 LWSAAQJUEVXAQU-SMDDNHRTSA-N 314.838 1.683 10 10 DDCE NCc1ccc(N2C[C@@H](CO)[C@@H](F)C2)c(Br)c1 2008017676 OHYUCTVUYQKNCJ-ONGXEEELSA-N 303.175 1.674 10 10 DDCE O=S(=O)(C[C@H]1N[C@H]2CC[C@H]1C2)Nc1ccc(O)cc1Cl 2178691744 ONGQWSXVESZUBV-MWODSPESSA-N 316.810 1.928 10 10 DDCE C[C@H](NCc1ccc(Br)cc1O)c1nc(O)n[nH]1 700975161 NONQPDLZDZKJEV-LURJTMIESA-N 313.155 1.829 10 10 DDCE CCN(CCS(C)(=O)=O)c1ccc(CNC)c(Cl)c1 688512894 ICGKGHXGECTWEB-UHFFFAOYSA-N 304.843 1.930 10 10 DDCE CN(CC(=O)NCC(F)(F)F)c1ccc(CO)cc1Cl 2172129052 XEAAJJLJXOYORU-UHFFFAOYSA-N 310.703 1.947 10 10 DDCE CNCc1cn(Cc2cc(Br)ccc2O)nc1O 2070700614 DDQICGMPLDYUMJ-UHFFFAOYSA-N 312.167 1.825 10 10 DDCE C[C@@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1ccccc1O 1635799093 ORHAUDYPDIAQJV-ZYHUDNBSSA-N 324.377 1.455 10 10 DDCE CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NCc1c(O)cccc1O 1558533323 CGCBYLIEQKRNCG-GFCCVEGCSA-N 320.389 1.751 10 10 DDCE CNCc1ccc(N2CC([C@@H](F)CO)C2)cc1Br 2048037963 CXENNNOHERWGAZ-ZDUSSCGKSA-N 317.202 1.935 10 10 DDCE O=C(O)[C@H](C1CC1)S(=O)(=O)Nc1ccc(O)c(Cl)c1 2110748538 CKDNFHIIMXAZIA-JTQLQIEISA-N 305.739 1.651 10 10 DDCE Cn1cccc1C=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 2296374266 LGCUMIRZLXGPFS-UHFFFAOYSA-N 313.288 1.831 10 10 DDCE CCCCN1C(=O)NC(=O)C(=Cc2ccc(C(=O)O)cc2)C1=O 2297327050 MOXUYBCVOSJEJD-UHFFFAOYSA-N 316.313 1.647 10 10 DDCE CO[C@@H](CN)C(=O)NCc1ccc(C)c(Br)c1O 2327586900 SDMJFGPAIOJMFU-VIFPVBQESA-N 317.183 1.053 10 10 DDCE Cc1ccc(CN(C)[C@@H]2COC[C@H]2O)c(O)c1Br 2327582042 DWXZORHUDDSZBR-GHMZBOCLSA-N 316.195 1.655 10 10 DDCE Nc1ccc(OC[C@H](O)CSc2nnnn2C2CC2)cc1 51328343 IUYWXNAPDHJISR-NSHDSACASA-N 307.379 1.122 10 10 DDCE CC(=O)N(C)C1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 170914040 LKPSERULOKUADI-UHFFFAOYSA-N 307.350 1.743 10 10 DDCE CCc1ccc([C@@H](C)NC=C2C(=O)NC(=S)NC2=O)cc1 60865146 AEDDYLDDBYUGEE-SECBINFHSA-N 303.387 1.314 10 10 DDCE Cn1nnc(Br)c1CNCc1ccc2c(c1)CCO2 1966011683 JUMKECMYSVFOAG-UHFFFAOYSA-N 323.194 1.802 10 10 DDCE CN(C[C@@H]1CCCCO1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 301620929 MWZGHETYQNVHMT-JTQLQIEISA-N 321.333 1.931 10 10 DDCE CC(C)(C)OC(=O)NC[C@]1(c2cccc(O)c2O)CCNC1 1952177219 USTQUSLQHQDNKZ-INIZCTEOSA-N 308.378 1.854 10 10 DDCE CC(C)C(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccccc1O 120232962 WFMIGQHLSRIJTH-CQSZACIVSA-N 304.390 1.998 10 10 DDCE CO[C@]1(CO)CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 402712748 JVJARDKKDMNKCF-MRXNPFEDSA-N 311.353 1.707 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(CC(=O)OCC)cs1 2365341740 OLUXTYBYJYLUAP-UHFFFAOYSA-N 321.424 1.247 10 10 DDCE CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1 803564772 DHXFAUQRWDDHFX-SPYVTISKSA-N 323.389 1.385 10 10 DDCE Nc1ccc(CNS(=O)(=O)c2ccc(Cl)nc2F)cc1 2162379997 REWXBQUAIAEPQE-UHFFFAOYSA-N 315.757 1.935 10 10 DDCE CC1(C)OCC[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O 819168988 FDOSOFBYEPIXAV-ZDUSSCGKSA-N 304.346 1.724 10 10 DDCE COC(=O)c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 586735497 PRISZPADSZCPCW-UHFFFAOYSA-N 303.270 1.842 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)C12CCN(CC1)C2 900337699 KYWGDVYEKIKJSM-UHFFFAOYSA-N 315.417 1.235 10 10 DDCE C[C@H](NC[C@]1(CO)COCCN1C)c1ccc(N(C)C)cc1 903277485 ANOFPXIDLHAELO-YOEHRIQHSA-N 307.438 1.096 10 10 DDCE CN1CCN(C)[C@H](CNC/C=C\c2ccc(N(C)C)cc2)C1 835038892 DEIRRVXOWXDVAG-OOFWQKGWSA-N 302.466 1.601 10 10 DDCE CN(Cc1ccccc1O)c1nnnn1CCc1cccnc1 1335386425 DJBQDIYFXZCFMS-UHFFFAOYSA-N 310.361 1.653 10 10 DDCE Cc1nccnc1CCNC(=O)NCc1c(O)cccc1F 922626468 AJZIBKJXSOQBRR-UHFFFAOYSA-N 304.325 1.672 10 10 DDCE C[C@H]1C[C@@H](C)CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1 846230156 CXBYGCFFPXZXOG-AOOOYVTPSA-N 304.350 1.611 10 10 DDCE CC(C)(CNCc1cc2c(cc1O)OCO2)[C@]1(O)CCOC1 842759452 WRNQEIUVNJFWPS-INIZCTEOSA-N 309.362 1.388 10 10 DDCE O=C1N[C@@H](CF)C(=O)N1Cc1ccc(N2CCC(O)CC2)cc1 853089655 RPPIDMRINFVIRM-AWEZNQCLSA-N 321.352 1.038 10 10 DDCE C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)C1O 852503906 VDOSNPUOQXMOBS-KBPBESRZSA-N 319.449 1.318 10 10 DDCE COc1ccc(N2CCN(C[C@@H](OC)[C@H]3CCOC3)CC2)cc1 851714698 TWJARHBEGJRXNK-MAUKXSAKSA-N 320.433 1.869 10 10 DDCE CC[S@@](C)(=O)=NS(=O)(=O)NCc1ccc(N(C)C)cc1 866426065 ZTADGUKFSCFRQY-LJQANCHMSA-N 319.452 1.205 10 10 DDCE CCN(C)c1ccc(CN2CCCN(CCOC)C(=O)C2)cc1 773889430 VWJRTQSOCNGERG-UHFFFAOYSA-N 319.449 1.823 10 10 DDCE C=CC(=O)N(C)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1136025685 UUZROJJSEOIAOS-UHFFFAOYSA-N 315.417 1.890 10 10 DDCE O=C(O)C1CCN(c2ccc(CNc3ncn[nH]3)cc2)CC1 84830583 YPQOJUBYTMXCKD-UHFFFAOYSA-N 301.350 1.718 10 10 DDCE C[C@@H](C(N)=O)N(C)c1ccc([C@@H](C)O)cc1Br 711117883 HLZHMNLOWXIFHW-JGVFFNPUSA-N 301.184 1.812 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cc(C(F)(F)F)n[nH]1 1153885920 SKFCSAYVEYRYID-UHFFFAOYSA-N 301.224 1.770 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NOCCN2CCCC2=O)cc1 1301635551 OZQHNKVTQNLBDI-UHFFFAOYSA-N 319.321 1.133 10 10 DDCE CCn1ncc(CNC(=O)NCc2cccc(OC)c2O)n1 1253473626 BWKFKKMQLDTNFR-UHFFFAOYSA-N 305.338 1.012 10 10 DDCE CN(NCc1cccc(Br)c1O)S(C)(=O)=O 1901375462 MFKADBNENWUKIN-UHFFFAOYSA-N 309.185 1.051 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 1912191760 VUKKVBXRVODCKK-MNOVXSKESA-N 300.384 1.360 10 10 DDCE CC(C)O[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[C@H](CN=[N+]=[N-])C1 1912203210 OXYVMNHNUKPGBI-GRYCIOLGSA-N 302.400 1.209 10 10 DDCE COCC1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCOCC1 1298324313 MXPDUNVYPLRJQO-UHFFFAOYSA-N 320.349 1.774 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@H](Cc3nn[nH]n3)C2)c(O)c1O 1455744059 NRBACUXMBPHHCY-SNVBAGLBSA-N 317.349 1.014 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1cc(=O)c(O)co1 1603070230 WGFRUKKRKXDOBT-RQOWECAXSA-N 303.270 1.086 10 10 DDCE Cc1ccccc1[C@@H](O)CNC(=O)Cc1ccc(O)c(O)c1 1465857826 GPTJUVXTAVHKNQ-INIZCTEOSA-N 301.342 1.799 10 10 DDCE CC(=O)C(=O)[C@@]1(O)CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 1919368075 JTRZXCABJUEKFZ-HOTGVXAUSA-N 311.378 1.687 10 10 DDCE Nc1ccc(CC(=O)N2CC3(CCC4(CC3)OCCO4)C2)cc1 1923490168 NPEZRHNAKVWBMB-UHFFFAOYSA-N 316.401 1.957 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc2nc(O)oc2c1 1630302021 PKEIHEHXERVPEE-UHFFFAOYSA-N 300.270 1.875 10 10 DDCE COC(=O)c1ccc2c(c1)N(C(=O)/C=C\c1cn(C)cn1)CC2 1586328042 VHZRMGPCTNQIMQ-WAYWQWQTSA-N 311.341 1.809 10 10 DDCE Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@H](C)c1ccccc1O 1587447350 QNAKOGCKJIKYSD-SECBINFHSA-N 324.358 1.432 10 10 DDCE CC(C)(C)OC(=O)NC1(CNCc2ccccc2O)COC1 1931435291 MANMUOKACGNMIW-UHFFFAOYSA-N 308.378 1.776 10 10 DDCE Nc1ccc(NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1 200172317 YAWVZGHYJBZIKE-UHFFFAOYSA-N 322.415 1.725 10 10 DDCE O=C(O)Cc1ccc(NN=NCCCN2CCOCC2)cc1 1860489145 AAZYKUSQDYSZFL-UHFFFAOYSA-N 306.366 1.815 10 10 DDCE COc1cc(N)c(NC(=O)c2cc(O)c(O)c(O)c2)cc1OC 1865876278 ATZNNVQOFQHLNU-UHFFFAOYSA-N 320.301 1.655 10 10 DDCE O=S1(=O)CCC[C@H]2CN(c3ccc(CO)c(Cl)c3)C[C@H]21 2145046896 RWNMANSXGOQXQQ-IINYFYTJSA-N 315.822 1.846 10 10 DDCE NCc1ccc(N2CCC3(CC2)CS(=O)(=O)C3)c(Cl)c1 2150335265 AUIZWAPOJOUXKN-UHFFFAOYSA-N 314.838 1.814 10 10 DDCE C[C@H]1CN(c2ccc([C@@H](C)N)cc2F)C[C@H](C)S1(=O)=O 400849121 PCQOOFMISMTESH-GARJFASQSA-N 300.399 1.857 10 10 DDCE Oc1c(Br)cccc1CN[C@H]1COCC[C@H]1O 710920281 GCWKMGPEKBHEEY-WDEREUQCSA-N 302.168 1.394 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCC(C)(C)N3CCCC3)c2n1 2063453486 HJEXUYUZBALNFK-UHFFFAOYSA-N 317.393 1.348 10 10 DDCE C[C@H](CO)N1CCN(c2cc(Cl)c(CN)cc2F)CC1 2177393395 QZYLWYCIJNARGM-SNVBAGLBSA-N 301.793 1.441 10 10 DDCE C[C@H](N)c1ccc(N2CC(=O)NC[C@H]2C)cc1Br 2060839660 GSYRUJNCJIDNES-BDAKNGLRSA-N 312.211 1.794 10 10 DDCE CC[C@H](C(N)=S)S(=O)(=O)N(C)[C@H](C)c1ccccc1O 2192598605 QUGWPMQCLVDYFW-BXKDBHETSA-N 316.448 1.780 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCN1c1ccc(CO)cc1Cl 2094922237 AZFNIHQLXOOEOY-NSHDSACASA-N 303.811 1.846 10 10 DDCE COc1cc(N(CCS(C)(=O)=O)C(C)C)ccc1CO 2204544165 XVRDWKATRMAGMW-UHFFFAOYSA-N 301.408 1.447 10 10 DDCE CO[C@H](C)CCS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236168773 SDXXMTLLLMVWLP-MRVPVSSYSA-N 304.324 1.467 10 10 DDCE CSc1ncc(CNC[C@H]2CCC[C@@H](C(=O)O)O2)s1 2269123536 JRVMPVOYUQCIOH-SCZZXKLOSA-N 302.421 1.977 10 10 DDCE COc1cc(C=C2SC(=S)N(CCO)C2=O)ccc1O 2293343953 AJVICDSJRFKJBG-UHFFFAOYSA-N 311.384 1.594 10 10 DDCE Cc1cc(N2CCSC[C@@H]2S(C)(=O)=O)ccc1[C@@H](C)N 2285146145 MCRVUXLIJVKYAU-RISCZKNCSA-N 314.476 1.939 10 10 DDCE COCCCC[S@](=O)C[C@H](O)COc1ccc(N)cc1 2287528814 APKYVCIKCFPMDI-XCLFUZPHSA-N 301.408 1.184 10 10 DDCE Cc1ccc(CNC(=O)C(C)(C)N)c(O)c1Br 2307467213 VXWXMHODWPIHLD-UHFFFAOYSA-N 301.184 1.817 10 10 DDCE COC(=O)/C=C/c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 29066145 WBERCQRAGZVVRL-GQCTYLIASA-N 305.334 1.533 10 10 DDCE NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1C(F)(F)F 37306596 PEQOMHFUEFNKCE-SNVBAGLBSA-N 301.312 1.866 10 10 DDCE C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1C[C@@H](C)O 120655851 BPFUPHAZFAYBNS-NWDGAFQWSA-N 308.378 1.008 10 10 DDCE Oc1cccc(-c2nn3c([C@@H]4CCOC4)nnc3s2)c1O 134195383 QHARAIIIDYUNBO-SSDOTTSWSA-N 304.331 1.768 10 10 DDCE CS(=O)(=O)[C@H]1CC[C@@H](S(=O)(=O)Cc2ccc(N)cc2)C1 2367834946 WKEZSSRNETXIKC-QWHCGFSZSA-N 317.432 1.149 10 10 DDCE O=C(C[C@@H](O)c1ccccc1)NCCc1ccc(O)c(O)c1 89329037 VTHXWLCQMLDQKX-OAHLLOKOSA-N 301.342 1.880 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@]1(C(=O)O)c1cccc(O)c1O 1952676753 WVCVDTZWFOTQST-MEBBXXQBSA-N 309.318 1.717 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN(C)C1=O 294357964 AFTVXVYMWYVZNL-MRXNPFEDSA-N 317.433 1.970 10 10 DDCE C[C@H](O)[C@H](NCc1ccccc1O)C(=O)OCc1ccccc1 294071618 YLYLOHMCAKZEQE-GUYCJALGSA-N 315.369 1.975 10 10 DDCE CN1C[C@H](O)C[C@@]1(C)C(=O)NCCCSc1nccs1 900683785 RUVUUFKWWBHUSD-MFKMUULPSA-N 315.464 1.197 10 10 DDCE NC(=O)[C@@H]1Cc2ccccc2N(Cc2cccc3c2CCNC3)C1 662256141 GXSNSPCHMLLIPP-QGZVFWFLSA-N 321.424 1.997 10 10 DDCE COC(=O)[C@@H]1CCN[C@@H]1c1ccc(Br)cc1O 1952821696 RNDODKLQSRKNJL-MWLCHTKSSA-N 300.152 1.978 10 10 DDCE COCCN1CCC[C@@H]1CNC(=O)/C=C\c1ccc(O)c(O)c1 588404164 WZRWKEACAPDMJN-BRLPQQTGSA-N 320.389 1.338 10 10 DDCE NC/C=C\CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 841997639 SWOAZFDAHILFOF-JZIMQPMSSA-N 319.405 1.598 10 10 DDCE CN(C)c1ccc(CN(C(=O)NC/C=C/CN)C2CC2)cc1 841994282 DCPBLSAFCKNGEM-ONEGZZNKSA-N 302.422 1.942 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)[C@H](C)CCO)c([N+](=O)[O-])c1 845752731 QJXBNTKUSFCXOG-JPVGGKMYSA-N 308.334 1.988 10 10 DDCE COc1cc(C)cc(CN2CCN(C(=O)N(C)C)CC2)c1O 754727346 XVJNGNRTVYQIQV-UHFFFAOYSA-N 307.394 1.508 10 10 DDCE O[C@@H]1C[C@H]2CC[C@H]1N(Cc1ccc(N3CCOCC3)cc1)C2 931760710 KFAIHQTZHADYQB-KBAYOESNSA-N 302.418 1.868 10 10 DDCE COc1ccc(CNC(=S)NCc2cc(C)on2)c(O)c1 865236650 UOMDUQYONXRNIW-UHFFFAOYSA-N 307.375 1.862 10 10 DDCE COC(=O)[C@@]1(OC)CCN(Cc2cc(Cl)c(F)cc2O)C1 862475615 QMJJVLWFWVJSRY-CQSZACIVSA-N 317.744 1.949 10 10 DDCE O=C(NCC[C@@H]1C[C@H]1C1CC1)C(=O)N1Cc2cccc(O)c2C1 1119903140 ROSRTMYKOXEJCE-OCCSQVGLSA-N 314.385 1.787 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2ccn3nnnc3c2)c1 1137473701 SCBVIRXQGDNEBT-VIFPVBQESA-N 313.317 1.330 10 10 DDCE COC[C@](C)(CO)NCc1cc(Br)ccc1O 716856488 SWUKVZSYDSNFQG-LBPRGKRZSA-N 304.184 1.642 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC[C@H]1C(=O)OC 1157101675 DENQVPQNWKWRBZ-WDEREUQCSA-N 312.362 1.693 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC1CC(NCC(F)(F)F)C1 1304342708 LGXHWOXSWMJYLP-UHFFFAOYSA-N 318.295 1.439 10 10 DDCE O=C(CCNC(=O)c1ccsc1)NCc1cc(O)ccc1O 1176747810 BOPCXTYRDICJFD-UHFFFAOYSA-N 320.370 1.596 10 10 DDCE CS(=O)(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2O)C1 1658648857 KJMQOXNGICGGJV-GFCCVEGCSA-N 318.826 1.559 10 10 DDCE c1cc(N2CCCC2)ccc1CN1CCN2CCOC[C@H]2C1 1254746758 ZGJZOLWUXJHAMX-GOSISDBHSA-N 301.434 1.803 10 10 DDCE O=C(NCc1cnc(Cl)s1)c1cc(O)c(O)c(O)c1 2132351213 VJFWFHSRGXFACB-UHFFFAOYSA-N 300.723 1.843 10 10 DDCE Cc1c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)nnn1C 1356267226 OIEKYPBIEPFXJI-UHFFFAOYSA-N 313.405 1.996 10 10 DDCE C[C@@H](O)c1ccc(N(CCO)C2COC2)cc1Br 1915662399 USWQTGVTHSSRLV-SECBINFHSA-N 316.195 1.700 10 10 DDCE Cn1nccc1[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CCO1 1449690711 GKSDRYLZHNFKDK-HZMBPMFUSA-N 317.345 1.481 10 10 DDCE C[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1ccccc1O 1471196040 RNFMOHHVORWHFN-GFCCVEGCSA-N 323.352 1.980 10 10 DDCE C[C@H](CC(N)=O)C(=O)NCc1cccc(Br)c1O 1556480110 DCDFGRILLAATPM-SSDOTTSWSA-N 315.167 1.282 10 10 DDCE C[C@H](CN1CCOCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1625627200 KGXWUGCLZJBXOC-LLVKDONJSA-N 319.365 1.300 10 10 DDCE Cn1cc([C@H]2N(C(=O)Cc3ccc(O)c(O)c3)CC2(C)C)cn1 1557720831 GBEQQKJVNFOHIQ-MRXNPFEDSA-N 315.373 1.984 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2nc[nH]n2)cc1C 1716004471 FWPOBGHEXCVXAQ-NSHDSACASA-N 303.366 1.030 10 10 DDCE Cc1ccc(C(=O)Nc2cc(-c3nccn3C)[nH]n2)c(O)c1O 1639134801 WGWQWQJYDSROQC-UHFFFAOYSA-N 313.317 1.782 10 10 DDCE CC(=O)c1cccc(OCC(=O)NCc2c(O)cccc2O)c1 1635843173 HWSUBPSWFMBCBW-UHFFFAOYSA-N 315.325 1.996 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](NC(N)=O)C(C)(C)C 1633818722 JVVLETPOXKMEJS-ZANVPECISA-N 323.393 1.228 10 10 DDCE CN(C)C(=O)[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 1570318012 FGRQYNNXBYAOFZ-RNZFLTOJSA-N 304.346 1.048 10 10 DDCE O=C(Cn1cc(Br)cn1)N1Cc2cccc(O)c2C1 1644088327 PLYIUGOVTDVZGE-UHFFFAOYSA-N 322.162 1.894 10 10 DDCE CCC1(C(=O)NC[C@H](O)CNCc2ccc(OC)c(C)c2)CC1 1667888938 YMBGCLPWASUIQO-OAHLLOKOSA-N 320.433 1.761 10 10 DDCE Cc1cc(O)c(Sc2ncn[nH]2)cc1NS(C)(=O)=O 11566502 MVYJGJVGKAVNAD-UHFFFAOYSA-N 300.365 1.341 10 10 DDCE O=S1(=O)C[C@H]2C[C@H](NCc3c(O)cccc3Cl)C[C@H]2C1 1974482880 FKSBZOLPIQDQII-URLYPYJESA-N 315.822 1.958 10 10 DDCE Nc1ccc(NC(=O)CCN2CCC[C@@H](C3OCCO3)C2)cc1 2145858313 KROZVKSFBVOYDE-CYBMUJFWSA-N 319.405 1.682 10 10 DDCE [N-]=[N+]=NCCCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 42013285 SCSGOTPAEMXKRG-UHFFFAOYSA-N 301.284 1.279 10 10 DDCE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-])cn1 1985099665 AJCAYUORXDTQLW-JTQLQIEISA-N 323.357 1.412 10 10 DDCE C[C@H](C(N)=O)N(C)c1cc(Br)c(CN)cc1F 711166600 GXBWJPOCZWYROU-ZCFIWIBFSA-N 304.163 1.357 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCCC[C@@H]3CN(C)C)c2n1 2064054079 DGVGYIJKCVSOHR-GFCCVEGCSA-N 317.393 1.300 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](O)C[C@H](O)C2)c(Br)c1 2043128421 DIIMPDFBGZUPFN-LSJOCFKGSA-N 315.211 1.401 10 10 DDCE CO[C@H]1C[C@H](O)CN(c2ccc(CO)cc2Br)C1 2046677271 XYONTLDPYUUPMF-QWRGUYRKSA-N 316.195 1.527 10 10 DDCE CS(=O)(=O)C[C@@H]1CCN(c2ccc(CN)cc2Cl)C1 2087363000 RKJDOVCKNGIECO-LLVKDONJSA-N 302.827 1.670 10 10 DDCE CSc1ncc(CNC(=O)CC[C@@]2(N)CCOC2)s1 2269205792 ZXPLXMGLKBZOSG-GFCCVEGCSA-N 301.437 1.379 10 10 DDCE Nc1ccc(OCC(=O)Nc2ncncc2Br)cc1 2230073508 IQGSXCDRLBCJNY-UHFFFAOYSA-N 323.150 1.839 10 10 DDCE CC(=O)N(C)CCN(C)c1ccc(CN)cc1Br 2317261694 LXXMKJIJSZEXIK-UHFFFAOYSA-N 314.227 1.822 10 10 DDCE CCNC(=O)CN(CC)c1ccc(CN)c(Br)c1 228149911 DOHQRCBLDQNTRF-UHFFFAOYSA-N 314.227 1.870 10 10 DDCE CO[C@H]1C[C@@H](CO)N(c2ccc(CN)cc2Br)C1 311116587 NQCWGZJTXHTQTG-QWRGUYRKSA-N 315.211 1.494 10 10 DDCE CC(=O)N(C(=O)C(=O)Nc1ncccc1C)c1ccc(N)cc1 170319053 IVAUBUXPCSPOBR-UHFFFAOYSA-N 312.329 1.490 10 10 DDCE COc1ccc(N2CCN(C[C@@H](O)C(F)(F)F)CC2)cc1F 121464354 WXVVQACQLXQBLS-CYBMUJFWSA-N 322.302 1.880 10 10 DDCE NCc1cc(F)c(N2CC[C@@H]3C[C@H]2[C@H](O)[C@@H]3O)cc1Cl 2357592345 HRTHWLPWEUATLZ-AGEZSHCCSA-N 300.761 1.258 10 10 DDCE O=C(N[C@@H]1CC[C@@H](C(F)(F)F)NC1)c1cccc(O)c1O 126118407 RDBSODRPXFHQEC-XCBNKYQSSA-N 304.268 1.511 10 10 DDCE COc1ccc(CNc2cccc(S(N)(=O)=O)c2)c(O)c1 40905735 BKDQBCQEAOZJDH-UHFFFAOYSA-N 308.359 1.660 10 10 DDCE CN(C)[C@@H]1CCCN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 92752490 DXAITMMFPNQFOO-OTYXRUKQSA-N 308.813 1.822 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)c1O 249638063 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O[C@H](CNCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 858227452 UKKKPGKQJISBTH-SJORKVTESA-N 306.406 1.153 10 10 DDCE O=C(Cc1ccon1)NCc1ccc(N2CCC(O)CC2)cc1 856211090 FBHBBAWRCPVQMB-UHFFFAOYSA-N 315.373 1.495 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCC[C@H](C)O)C2)cc1 854297179 OLDRJDHCOMQTHU-QWHCGFSZSA-N 307.394 1.344 10 10 DDCE CCN(CC)c1ccc(CN2CCO[C@@H](CC(N)=O)C2)cc1F 862535339 JVHAJQHQCRHHRT-AWEZNQCLSA-N 323.412 1.748 10 10 DDCE Cc1c(C(=O)N2Cc3cccc(O)c3C2)nnn1-c1cnn(C)c1 871205435 DQKFEHJOKANCGP-UHFFFAOYSA-N 324.344 1.171 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@H]2CCC[C@H](C(N)=O)C2)c1O 775025162 UBCSSAYDKMAIFQ-ONGXEEELSA-N 323.349 1.443 10 10 DDCE CC(=O)c1cc(F)cc(Cn2cc(C[C@H]3CCNC3)nn2)c1O 880995908 IBNFEHYXVKWXLI-LLVKDONJSA-N 318.352 1.526 10 10 DDCE COc1ccc(CNC(=O)Nc2ccc(=O)n(C)c2)c(O)c1 794761637 IYECZQVRQOHQER-UHFFFAOYSA-N 303.318 1.421 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2[nH]nnc2C)cc1C 1317255904 KLHWGJILAFPSPY-LLVKDONJSA-N 317.393 1.338 10 10 DDCE CNC(=O)CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 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DDCE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NCc2ccccc2O)C1 307857984 GKGRUBVUWNJITN-TZMCWYRMSA-N 308.378 1.462 10 10 DDCE CNCc1ccc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)c(F)c1 2170652858 YFQCVFHLVFERTL-QWRGUYRKSA-N 302.415 1.803 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CC[C@@H]2C(F)F)cc1 2171884050 KDFDQQUGCUHKJV-LLVKDONJSA-N 306.334 1.317 10 10 DDCE O=C(O)CN1CC(NCc2cc(Br)ccc2O)C1 2050211064 HVRKVCZDZXMTDY-UHFFFAOYSA-N 315.167 1.013 10 10 DDCE O=C1N[C@@H]2CN(Cc3cccc(Br)c3O)C[C@H]2O1 2056808854 QPQQVHMKKXQSHI-NXEZZACHSA-N 313.151 1.447 10 10 DDCE NC[C@H]1C[C@H](O)CN1Cc1cc(Br)cc(F)c1O 2067383887 VUWRELQFMLWFOO-ZJUUUORDSA-N 319.174 1.188 10 10 DDCE CC1(C)OC[C@@H](NCc2cccc(Br)c2O)[C@H]1O 2078736433 FETYZQCXCVSKPO-ZYHUDNBSSA-N 316.195 1.783 10 10 DDCE O=S(=O)(CCCNCc1cc(F)cc(F)c1O)C(F)F 2237641688 HSXPLEIRMUNCSK-UHFFFAOYSA-N 315.288 1.788 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@@H]2CCCC[C@@H]2O)s1 2269123653 KTSIXEGTWOQDEJ-VHSXEESVSA-N 322.477 1.588 10 10 DDCE CSc1ncc(CNC(=O)N[C@H]2C=C[C@H](C(=O)O)C2)s1 2284501789 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DDCE CCOC(=O)COCCN1CCOc2cc(N(C)C)ccc21 809968449 CSXANNDYUFGROH-UHFFFAOYSA-N 308.378 1.531 10 10 DDCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1sncc1Br 711823303 HDRZDXKKTMUROT-YFKPBYRVSA-N 305.161 1.332 10 10 DDCE COc1ccc(N2CCN(CCN[C@@H]3CCC[C@H]3N)CC2)cc1 817893531 GNVQCOZALSZFOP-QZTJIDSGSA-N 318.465 1.287 10 10 DDCE COC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc2cccnc2c1O 823769107 JPPITOXCXQIXHV-QWHCGFSZSA-N 314.341 1.756 10 10 DDCE COc1ccc(N2CCN(C[C@@H](O)C3(O)CCCC3)CC2)cc1 905873565 BSXKGHAEUSDSMP-QGZVFWFLSA-N 320.433 1.483 10 10 DDCE COc1ccc(O)c(CN2CC[C@H](Nc3ncccn3)C2)c1 843414420 DGRDZIVHSJAUHY-ZDUSSCGKSA-N 300.362 1.877 10 10 DDCE COc1cc(O)c(CN2CC[C@]3(CCCNC3)C2)cc1OC 843118155 AADBHYZTCKWDBY-KRWDZBQOSA-N 306.406 1.985 10 10 DDCE CC[C@@](C)(CO)C(=O)NCc1ccc(N2CCOCC2)cc1 847382060 WSXTWZUEVBDNIC-KRWDZBQOSA-N 306.406 1.548 10 10 DDCE Nc1ccc(NC(=O)c2cn([C@H]3CCCNCC3)nn2)cc1 852790568 SCJGICJGJCFRDE-ZDUSSCGKSA-N 300.366 1.427 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1CCC2(COC2)O1 922544920 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CN(CCOC(C)(C)C)S(=O)(=O)Cc1ccc(N)cc1 690062413 GAMCOKIADCEQOY-UHFFFAOYSA-N 300.424 1.846 10 10 DDCE COC(=O)c1cc(C(=O)NCc2c(O)cccc2O)ccn1 1304051121 UVCTVGUTIDCCKO-UHFFFAOYSA-N 302.286 1.209 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ncoc1-c1ccon1 1153798115 MPOXFBVBDLTWGX-UHFFFAOYSA-N 301.258 1.671 10 10 DDCE C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1cc(O)ccc1O)CS2 1176747872 DJKJVMJBIWFGTL-XHDPSFHLSA-N 322.386 1.168 10 10 DDCE C[C@H](N)c1ccc(N2CC3(CNC(=O)C3)C2)c(Br)c1 2119574167 FJQKLKSIVYWNSC-VIFPVBQESA-N 324.222 1.795 10 10 DDCE COC(=O)[C@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1178523546 OHANNDXTIFBMDS-LLVKDONJSA-N 304.306 1.627 10 10 DDCE CS(=O)(=O)[C@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2123328816 GBOTZHZXAHUHQU-VIFPVBQESA-N 306.790 1.561 10 10 DDCE COC[C@@](C)(CCO)NCc1cc(F)c(N(C)C)cc1F 1334890418 KQIDLNGEEKDUTJ-OAHLLOKOSA-N 302.365 1.908 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)[C@@]2(F)CCOC2)cc1C 1266964966 PJEGYQXNMOZLTB-CXAGYDPISA-N 324.396 1.727 10 10 DDCE C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1 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316.361 1.001 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCN(CC(F)F)CC1 1626003092 YTXXGXPFNWMMPC-UHFFFAOYSA-N 300.305 1.050 10 10 DDCE O=C(Cc1nc[nH]n1)Nc1c(-c2ccccn2)nc2ccccn12 1556879066 AYLOHUJXKPVMKM-UHFFFAOYSA-N 319.328 1.696 10 10 DDCE COC(=O)Cc1sccc1C(=O)NCc1c(O)cccc1O 1558536486 ZSDXVTXYVDYZSH-UHFFFAOYSA-N 321.354 1.805 10 10 DDCE C[C@H](NC(=O)c1nc(-c2cnccn2)no1)c1ccccc1O 1557968142 DZUYNXPACYNZNG-VIFPVBQESA-N 311.301 1.723 10 10 DDCE COc1ccc(CNC(=O)c2ccc3c(N)ncnc3c2)c(O)c1 1639455786 ITYUTGFLVHZBID-UHFFFAOYSA-N 324.340 1.856 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC(F)(F)C[C@H]2CO)cc1 1634176993 TXVQVPADAMREAP-JTQLQIEISA-N 312.276 1.691 10 10 DDCE COc1ccc(CNC[C@@H](C)N(C)C(=O)CCN(C)C)cc1C 1568297669 ZTVVWWCJOVEZML-OAHLLOKOSA-N 321.465 1.892 10 10 DDCE Cn1nnc(C(=O)NCc2cccc(O)c2O)c1C(F)(F)F 1633515702 MNCZBXOSRGEREE-UHFFFAOYSA-N 316.239 1.175 10 10 DDCE O=C(CCNC(=O)c1ccsc1)NCc1ccc(O)cc1O 1638351915 IDEQJWQEPZGFSE-UHFFFAOYSA-N 320.370 1.596 10 10 DDCE Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(O)c(O)c1 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DDCE O=C(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(O)cs1 802673459 OZJYZZRQQYITRV-ZWNOBZJWSA-N 311.403 1.751 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(Cl)cc2)c1 808505542 FDQGYEHMEPGACR-UHFFFAOYSA-N 306.705 1.841 10 10 DDCE C[C@H]1COCC[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O 819167814 IEJHKMAWOMVVRU-WCQYABFASA-N 304.346 1.581 10 10 DDCE CC(C)N(Cc1cccc(Br)c1O)C[C@@H](O)CO 817417820 QOVGKLZCNHRYNL-LLVKDONJSA-N 318.211 1.718 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@@H]2C[C@H](C)n3ncnc32)c1O 826889894 ZRGGJAMKTDVFNU-WCBMZHEXSA-N 319.321 1.696 10 10 DDCE CC[C@@H](O)CC(=O)N1CCCN(c2ccc(OC)cc2)CC1 822656423 YTFMLBRTMYDEQI-OAHLLOKOSA-N 306.406 1.895 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(N)cc2)C[C@H]1CO 1895706207 HLRPIDHELOUTML-SWLSCSKDSA-N 321.421 1.981 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)N[C@H](CF)C1=O 842264958 OXBMFHYUKKNTSD-BXUZGUMPSA-N 307.369 1.882 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCNC[C@H]1C 841825179 YHKKQWOKXYOIKS-CJNGLKHVSA-N 304.438 1.858 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCCN3CCC3)C2)cc1 854300443 SSLQAIIYXQULPC-CQSZACIVSA-N 318.421 1.279 10 10 DDCE COCCOCCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855228839 FDGUYLHKHPBNHJ-AWEZNQCLSA-N 322.405 1.443 10 10 DDCE CCOc1ccc(O)c(CN2CC(=O)N(CC(F)(F)F)C2)c1 754155314 FIGUEGRICOAAOO-UHFFFAOYSA-N 318.295 1.955 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1c2ccccc2C(=O)OC1(C)C 869729187 HSMNLHUJVYNRFM-ZDUSSCGKSA-N 304.298 1.421 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2[C@H]3CC[C@H]2CC(CCO)C3)cc1 868318173 ASKRXVXMCDEGGJ-GJZGRUSLSA-N 317.389 1.359 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)CC2(OC)CCC2)c1 866850484 UNXPEPCRQYCNIX-UHFFFAOYSA-N 315.391 1.389 10 10 DDCE O=C(O)[C@@H](C[C@H]1CCCOC1)NCc1ccc2c(c1)CCO2 1119602180 KRANTNMWCLMYSY-UKRRQHHQSA-N 305.374 1.981 10 10 DDCE C[C@@H](O)CN(CCO)c1cc(Br)c(CN)cc1F 394058890 INSUMCDQLCPGMZ-MRVPVSSYSA-N 321.190 1.226 10 10 DDCE CCNC(=O)CN(CC)C(=O)c1cc2cc(O)c(O)cc2s1 895600880 ILAYZCCZHKBFRT-UHFFFAOYSA-N 322.386 1.911 10 10 DDCE CN1C[C@@H]2CN(c3ccc(CN)c(Br)c3)C[C@H]2C1 706766174 SOKBEPKWYLCZSA-VXGBXAGGSA-N 310.239 1.906 10 10 DDCE CO[C@@H]1CCn2cc(C(=O)NCc3cc(O)ccc3O)nc2C1 1153885494 PHLHGJDDAMUZDJ-GFCCVEGCSA-N 317.345 1.186 10 10 DDCE Cn1cc(C(=O)C(=O)NCc2c(O)ccc3ccccc23)cn1 1304090025 VOGMKMSVNQCHCI-UHFFFAOYSA-N 309.325 1.778 10 10 DDCE O=C(NCc1cc(Br)ccc1O)[C@@]1(F)CCOC1 1325179024 UWUBVALNAZFKRT-GFCCVEGCSA-N 318.142 1.900 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)Nc1nccc(S(C)(=O)=O)n1 1458309567 HVQCAOVKSSTXLG-VIFPVBQESA-N 323.374 1.334 10 10 DDCE CCOC(=O)C1=C(C)NC(=O)/C1=C/Nc1ccc(OC)cc1 13394624 WAMHHUVGKDLYRA-UKTHLTGXSA-N 302.330 1.958 10 10 DDCE C[C@H](NCCNC(=O)C1CC1)c1ccc(N2CCOCC2)cc1 155399641 BCAJQOIVVFHYRM-AWEZNQCLSA-N 317.433 1.700 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](O)CN[C@@H]1CCc2cccc(O)c21 1985781587 ZVNPDJTUHYHFEF-QWHCGFSZSA-N 322.405 1.855 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NC(=O)c1ccc(O)c(O)c1 1986696381 PRZIPHFALPGLHK-QWRGUYRKSA-N 322.361 1.883 10 10 DDCE Cn1cc(Br)c([C@H](O)[C@@H](N)c2ccccc2O)n1 2032848883 OXVHDVMECLZOHS-CMPLNLGQSA-N 312.167 1.622 10 10 DDCE CNCCOCCN(C)Cc1c(O)cccc1Br 706885294 VIHCIEOJZMIVCT-UHFFFAOYSA-N 317.227 1.823 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@](O)(CO)C1 2063556329 ZPOSWYYYRNKKFJ-INIZCTEOSA-N 320.414 1.725 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H]4CC[C@H](O)[C@H]3C4)c2n1 2063614142 CCTXXQMWRLKRCY-RTXFEEFZSA-N 316.361 1.119 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCC[C@H]4OCC[C@H]34)c2n1 2063691581 YJOOBMULRPPTLK-RAIGVLPGSA-N 316.361 1.431 10 10 DDCE CNCc1ccc(N(C)Cc2c(Br)nnn2C)cc1 2100244681 XTEWZTFGQGQPCL-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE CC(C)(C)OC(=O)N1CCCC[C@]1(C)COc1nnc(=N)[nH]n1 2210650126 QVKUEEKZMXIIIF-CQSZACIVSA-N 324.385 1.238 10 10 DDCE Oc1ccc(CCN[C@@H]2C[C@H]3C[C@H]2CC32OCCO2)cc1O 2110734691 YFEQTHJHZYSXSC-BFHYXJOUSA-N 305.374 1.772 10 10 DDCE CSc1ncc(CNCCS(=O)(=O)N2CCCC2)s1 2208617002 AQWQOOJWFUHQCX-UHFFFAOYSA-N 321.493 1.380 10 10 DDCE CSc1ncc(CN=c2[nH]c(=N)[nH]c(N)c2Cl)s1 2315809510 DFSNVNCIPIIYJE-UHFFFAOYSA-N 302.816 1.337 10 10 DDCE CC(C)(C)OC(=O)N1CCN[C@@](C)(c2c(O)cc(O)cc2O)C1 1952071866 QCZAREKSUREKKH-MRXNPFEDSA-N 324.377 1.859 10 10 DDCE COC(=O)[C@H](NC(=O)c1cc(O)c(O)c(O)c1)c1ccccc1 170190526 UNPQWFPZEQGKAS-CYBMUJFWSA-N 317.297 1.448 10 10 DDCE NCc1cc(F)c(N2[C@H]3CC[C@@H]2C[C@H](O)[C@H]3O)cc1Cl 2357055329 UORPBWDJMNECOD-DWVUBDKYSA-N 300.761 1.401 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2CCCCO2)cc1 70490795 BXWKTQVBSYMMQT-CQSZACIVSA-N 314.407 1.136 10 10 DDCE CNC(=O)[C@H]1CCCN1Cc1cccc(Br)c1O 133598620 VFNMXRAXEHUDRT-LLVKDONJSA-N 313.195 1.865 10 10 DDCE O=S(=O)(O)c1cc(CN2CCOCC2)c(O)c2ncccc12 196546693 KNZSAMMJHWGGGT-UHFFFAOYSA-N 324.358 1.019 10 10 DDCE CNCc1ccc(N(C)C[C@@H](O)COC)cc1Br 234405249 HYTVSRNLRABHNT-GFCCVEGCSA-N 317.227 1.612 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@H](C4CC4)C3)cc2N1 375333411 PMPDLLYRSXPSSV-AWEZNQCLSA-N 319.317 1.541 10 10 DDCE CCCCN(Cc1ccccc1O)C[C@@H](O)CN1CCOCC1 801597025 XZOFYDJTTBSVNK-KRWDZBQOSA-N 322.449 1.687 10 10 DDCE Cc1ccc(O)c(CN[C@H]2CCC[C@H]2CNS(C)(=O)=O)c1 800308995 APSSTKXVXFFEMR-JSGCOSHPSA-N 312.435 1.508 10 10 DDCE Cc1cn(C)nc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 826043615 MFVROLHEBMYYKS-JTQLQIEISA-N 304.350 1.892 10 10 DDCE CN(C)c1ccc(CN[C@H]2CCNC2=O)c(C(F)(F)F)c1 826773970 MRVIVBZHNYBAPK-LBPRGKRZSA-N 301.312 1.750 10 10 DDCE COc1ccc(N(C)C(=O)c2c[nH]nc2[C@H]2CCNC2)cc1 662827881 PALKMNFFBDCFKK-NSHDSACASA-N 300.362 1.772 10 10 DDCE CN(C)C(=O)COC1CN(C/C=C/c2ccc(N(C)C)cc2)C1 839137973 GNURUFZHIZKOBQ-AATRIKPKSA-N 317.433 1.555 10 10 DDCE C[C@@H](CN1CCOCC1)NC(=O)NCc1c(O)cccc1F 914083037 NORMICBNURTHTJ-NSHDSACASA-N 311.357 1.051 10 10 DDCE C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)CN1CCO 841891649 NWPUFDRLBUWSSF-KBPBESRZSA-N 309.429 1.779 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cccc(CO)c1O 687734735 SOOSSRQYOVXVND-LLVKDONJSA-N 311.334 1.925 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N(C)CC(C)(C)O)C2)cc1 854298953 CJIQQXHHVKRANN-ZDUSSCGKSA-N 321.421 1.686 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cn(C)nc3C)C2)cc1 855231111 JZDIVQQEEHYORZ-CYBMUJFWSA-N 314.389 1.746 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1 858288013 RMPPRXMEGKVQMF-MRVWCRGKSA-N 317.389 1.509 10 10 DDCE COC(=O)c1cc(OCC(=O)NC(C)(C)C)ccc1N(C)C 865396615 WKGKGRZGHMMGCT-UHFFFAOYSA-N 308.378 1.833 10 10 DDCE Oc1cccc(Cl)c1CN1CCN(c2nccnn2)CC1 862436922 MNERYWXYURAVAU-UHFFFAOYSA-N 305.769 1.553 10 10 DDCE CN(C)c1ccc([C@@H]2[C@H](N)CC(=O)N2C[C@@H]2CCCO2)cc1 62210965 JYKIIKCJOUTQAK-ZMSDIMECSA-N 303.406 1.532 10 10 DDCE COC(=O)[C@]1(OC)CCN(Cc2cc(C)cc(OC)c2O)C1 863296917 NJNMIUPTJMOJGD-INIZCTEOSA-N 309.362 1.473 10 10 DDCE CC[C@H]1C[C@H](C)CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1119006115 HQYYCLWNWUXSOC-AAEUAGOBSA-N 302.374 1.881 10 10 DDCE CN1CCN(c2ccc(CN[C@@H]3CCCN(C)C3)cc2)CC1 771825181 YTAIKNRSBRDDMI-QGZVFWFLSA-N 302.466 1.622 10 10 DDCE COC(=O)C12CCC(CC1)N2C(=O)/C=C\c1ccc(O)c(O)c1 870734515 AOPQGHFNNLQKTN-HYXAFXHYSA-N 317.341 1.808 10 10 DDCE C[C@@H]1C(=O)N(C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 898106043 MJBHMZJFSXVSFS-SSDOTTSWSA-N 306.343 1.573 10 10 DDCE COC(=O)c1ccnc(C(=O)NCc2ccc(O)c(O)c2)c1 1137443372 MXTBVEVFBWWCGG-UHFFFAOYSA-N 302.286 1.209 10 10 DDCE COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(C)cc(OC)c1O 895861429 BRXXBUABEITWGW-KBPBESRZSA-N 323.389 1.910 10 10 DDCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1nncn1C 1154554370 LPWBDAIPYKAILC-VIFPVBQESA-N 315.337 1.511 10 10 DDCE CC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1339757057 AZWRQNOZKQTZGX-UWVGGRQHSA-N 319.365 1.882 10 10 DDCE O=C(NCc1cccc(Cl)c1O)c1cnn2c1NCCC2 1263965518 NDCCDCVLSTYBRC-UHFFFAOYSA-N 306.753 1.988 10 10 DDCE CS(=O)(=O)c1sccc1[C@@H](NCCN=[N+]=[N-])C(=O)O 1912166338 WAXNZAWAUZMGJS-SSDOTTSWSA-N 304.353 1.177 10 10 DDCE COc1ccc(CN[C@@H](C)CN(C)C(=O)c2cn[nH]c2)cc1C 1277766566 IEQIXXJLLCNEJV-ZDUSSCGKSA-N 316.405 1.977 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@H](CCO)C(F)(F)F)cc1 1918532940 LYIKUSNXZXPPIY-SNVBAGLBSA-N 312.313 1.002 10 10 DDCE C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1568635294 DVLCBNSRWKQSPC-SNVBAGLBSA-N 324.377 1.670 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cnn(-c2ccncc2)c1 1652626130 QHFVTDSVQZVSOH-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2cc[nH]n2)cc1C 1699353541 AXSBWYIKGBSAOF-GFCCVEGCSA-N 302.378 1.635 10 10 DDCE C[C@H](NCCNS(=O)(=O)C(F)F)c1cc(F)ccc1O 1964514235 LAQTYDJBVFDJDG-ZETCQYMHSA-N 312.313 1.324 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)cc1Cl 2145074108 RGXDYLFJGCQSLE-RULNRJAQSA-N 314.838 1.983 10 10 DDCE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(O)c(O)c1 1982309730 JTQZVPJZCAFGCA-JTQLQIEISA-N 324.377 1.988 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCCN=[N+]=[N-] 1985094749 TWQTUJNKBJZBCO-SNVBAGLBSA-N 323.357 1.272 10 10 DDCE CN[C@@H](C)c1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)c(F)c1 36870142 JCEYWNYGHLKATB-CMPLNLGQSA-N 300.399 1.729 10 10 DDCE O=C(NCCC=CBr)c1cc(O)c(O)c(O)c1 2015121786 GJPCWZPPFXAEQM-UHFFFAOYSA-N 302.124 1.832 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)CC[S@]1=O 2171959368 JBZBTJHSGGVGCC-VBNKADACSA-N 314.794 1.283 10 10 DDCE CN(Cc1cc(F)cc(F)c1O)C[C@@H]1CCCS1(=O)=O 708434496 QRHDMLPKSZPSTI-NSHDSACASA-N 305.346 1.679 10 10 DDCE C[C@@H]1CSCCN(S(=O)(=O)Cc2ccc(N)cc2)C1 379538399 YNUBNQDNUKJDGR-NSHDSACASA-N 300.449 1.784 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@@H]3CCC4(CCC4)O3)c2n1 2062389618 CTFHCNOSEAETKS-NSHDSACASA-N 316.361 1.575 10 10 DDCE CCS(=O)(=O)[C@@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2179892046 CMUDJMATZCCJLG-SNVBAGLBSA-N 320.817 1.951 10 10 DDCE CCOCCC[S@@](=O)C[C@@H](O)COc1ccc(N)cc1 2235700520 XPSNXALZWFMRSM-RNODOKPDSA-N 301.408 1.184 10 10 DDCE NCc1ccc(N2CC[C@@H](O)[C@H](O)CC2)c(Br)c1 2256988804 RIHTWTGUZHHVGH-CHWSQXEVSA-N 315.211 1.230 10 10 DDCE CCOC(=O)C1=C(C)N(CCOC)C(=O)C1=Cc1ccco1 2297709378 DOINWVJQDJVNOH-UHFFFAOYSA-N 305.330 1.989 10 10 DDCE CC1=NN(c2ccccc2)C(=O)C1=CN[C@H]1CCS(=O)(=O)C1 2297735197 COOZQDHEIZYUIS-LBPRGKRZSA-N 319.386 1.070 10 10 DDCE CN(Cc1ccc(Br)cc1O)[C@H]1CNC[C@H]1F 2303697921 OMEMCDGFJWVOIK-MNOVXSKESA-N 303.175 1.896 10 10 DDCE CC1CCN(CCNC(=O)C=Cc2ccc(O)c(O)c2)CC1 2307990436 PODKCSJTJZETRQ-UHFFFAOYSA-N 304.390 1.959 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1CCCC[C@H]1c1nc[nH]n1 2308009350 UEVPIUGAQZXTNI-LBPRGKRZSA-N 314.345 1.983 10 10 DDCE CC1=NN(c2ccccc2)C(=O)/C1=C/N[C@H]1CCS(=O)(=O)C1 106568136 COOZQDHEIZYUIS-IGVUGNCQSA-N 319.386 1.070 10 10 DDCE C[C@H](Nc1cccc(S(N)(=O)=O)c1)c1ccc(O)cc1O 21819285 KUKIBWRWSHLIHT-VIFPVBQESA-N 308.359 1.918 10 10 DDCE CC(=O)NC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2O)C1 170914106 CDQQWHXJZSSUGX-GFCCVEGCSA-N 307.350 1.649 10 10 DDCE CCCNC(=O)N1CCN(c2ccc3c(c2)CC(=O)N3)CC1 62575956 YQAQLKJPQMNSHN-UHFFFAOYSA-N 302.378 1.423 10 10 DDCE Cc1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(=O)[nH]c1C 185387476 TZHBXZBASLDIBZ-QMMMGPOBSA-N 317.345 1.159 10 10 DDCE CC(C)(C)OC(=O)N1CCC(N)(c2cc(O)c(O)c(O)c2)CC1 1952441886 ZYYAKJGYMVHSNC-UHFFFAOYSA-N 324.377 1.988 10 10 DDCE COc1cc(Cl)c(N2C[C@@H](CO)C[C@H]2CO)c(OC)c1 2368266807 JQYHJZYGOJMQLE-UWVGGRQHSA-N 301.770 1.537 10 10 DDCE Cc1cccn2c(=O)c(C(=O)N(C)Cc3ccccc3O)cnc12 91072586 QVWVEPOUPBEVKO-UHFFFAOYSA-N 323.352 1.981 10 10 DDCE Cc1c(Br)cc(CN)c(O)c1CN1CCOCC1 642880447 SCKHQPBXDVTSED-UHFFFAOYSA-N 315.211 1.754 10 10 DDCE COc1cc(Cl)cc(CNCC[C@H]2COC[C@@H]2O)c1O 2167623141 YRJVNWBSLXNOEZ-CABZTGNLSA-N 301.770 1.541 10 10 DDCE CC(=O)C(=O)COC(=O)CC[C@H]1Cc2ccccc2NC1=O 808494005 UFVNKYFLSCVSFE-LBPRGKRZSA-N 303.314 1.279 10 10 DDCE CC(C)N(Cc1cc(Br)ccc1O)C[C@H](O)CO 817417908 SUZMZNHSCPYLJY-LBPRGKRZSA-N 318.211 1.718 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(c2cccc(O)c2O)C[C@H]1C(=O)O 1952771680 CLPCMLRDDGLHEO-VFZGTOFNSA-N 309.318 1.922 10 10 DDCE COc1ccc(N2CCC(NC(=O)[C@H](O)C3CCC3)CC2)cc1 825600738 QOHCQHQEHALYRN-QGZVFWFLSA-N 318.417 1.941 10 10 DDCE CCN(CC)c1ccc(CNC(=O)CCc2cn(C)nn2)cc1 822606917 CAHQYLOIHPNBPB-UHFFFAOYSA-N 315.421 1.910 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)C(=O)[C@H](N)Cc1ccc(O)c(O)c1 1952913155 HHAUNHWZUXVCOS-GXSJLCMTSA-N 324.377 1.450 10 10 DDCE COc1ccc(CNS(=O)(=O)[C@H]2CCO[C@H](C)C2)c(O)c1 849391146 JIRKGIFJXCTXNG-MFKMUULPSA-N 315.391 1.388 10 10 DDCE C[C@H]1CCNC[C@@H]1NC(=O)NCc1ccc2c(c1)CCCN2C 841760135 TXAAEGBPBVUVAN-BBRMVZONSA-N 316.449 1.866 10 10 DDCE COC(=O)C1(O)CN(c2ccc(OCc3ccccc3)cc2)C1 1899873322 BDWKFVAZGHBDLR-UHFFFAOYSA-N 313.353 1.990 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2C[C@H]3COC[C@@]3(C)C2)cc1 852534115 GZNTWCURHKRTPO-MAUKXSAKSA-N 317.433 1.337 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)CCO)C2)cc1 853771570 ZETJASGBPUSEPE-CHWSQXEVSA-N 307.394 1.344 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2CCO)c1O 767605186 UXUHQBGZEHEMNW-ZDUSSCGKSA-N 313.781 1.831 10 10 DDCE C[C@H](NC(=O)NCc1nnc2n1CCCC2)c1ccccc1O 868214013 OAYBRWRGUAHTIH-NSHDSACASA-N 315.377 1.880 10 10 DDCE O=C1c2ccccc2C(=O)c2c1cccc2-n1nncc1CO 62265701 USXOJKUXJBQLRO-UHFFFAOYSA-N 305.293 1.535 10 10 DDCE CC[C@H](NCCCN1CCCS1(=O)=O)c1ccccc1O 775518053 CNLMXMSAIQBFHE-AWEZNQCLSA-N 312.435 1.859 10 10 DDCE COC(=O)c1c(CN2CC[C@H](O)C2)c2cc(F)ccc2n1C 893945868 IUAOVMHTMDAFJV-NSHDSACASA-N 306.337 1.671 10 10 DDCE O=C(Cn1c(=O)oc2ccccc21)NCc1c(O)cccc1O 1156881288 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CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1c(O)ccc2ccccc12 1652709083 UYKPWLZLKIWFGZ-SCLBCKFNSA-N 314.385 1.617 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)CC(=O)N(C)C)c([N+](=O)[O-])c1 1772821501 QWXUJBQJBSIRKW-VURMDHGXSA-N 321.333 1.305 10 10 DDCE [N-]=[N+]=NCCNC(=O)c1cc(I)sn1 1884451282 VVLWWFNKYOXWIN-UHFFFAOYSA-N 323.119 1.788 10 10 DDCE CS(=O)(=O)C[C@H]1C[C@H](NCc2cc(Cl)ccc2O)C1 1974469923 DNTAOFWPZZDYEP-OTCDBFHCSA-N 303.811 1.958 10 10 DDCE CC(C)NCc1ccc(N(C)CC(CO)CO)c(Cl)c1 2150420260 WNLWUGZEFHLQBM-UHFFFAOYSA-N 300.830 1.875 10 10 DDCE CC1(C)C[C@H](NCc2c(O)cccc2F)CCS1(=O)=O 2160783377 XMYPTQCRIGXBJZ-SNVBAGLBSA-N 301.383 1.977 10 10 DDCE CN(CC(=O)NCC(F)(F)F)c1ccc(CN)c(Cl)c1 2172212838 SBPIFTJBRKJLEJ-UHFFFAOYSA-N 309.719 1.913 10 10 DDCE O=C1CC[C@@H](NCc2cc(Br)cc(F)c2O)CN1 715817308 GUVXNBUGZAPJRH-SECBINFHSA-N 317.158 1.662 10 10 DDCE CCS(=O)(=O)CCN(C)c1c(F)cc([C@@H](C)N)cc1F 2194700396 RRUSAYCSENIMDN-SECBINFHSA-N 306.378 1.855 10 10 DDCE CN1CC[C@@H](NCc2cc(Br)ccc2O)CC1=O 2068218725 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CCc1ncc2c(n1)CN(C(=O)c1ccc(C)c(O)c1O)CC2 182477435 WJULHPNQFBLODY-UHFFFAOYSA-N 313.357 1.957 10 10 DDCE CNC(=O)C(C)(C)CN[C@H](C)c1ccc(N2CCOCC2)cc1 183217687 ZGIGGFCTKUEYSU-CQSZACIVSA-N 319.449 1.946 10 10 DDCE C[C@H]1CCN(Cc2cc3c(cc2O)CCC3)CCS1(=O)=O 191322163 NFZCPLKMFBLWBI-LBPRGKRZSA-N 309.431 1.890 10 10 DDCE NCc1ccc(N2CCCNC(=O)C2)c(F)c1Br 231840179 ASFBGMMURVAFNB-UHFFFAOYSA-N 316.174 1.373 10 10 DDCE C[C@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1cc(F)ccc1O 368211080 BTBULRYRJPHUNS-NHYWBVRUSA-N 322.380 1.962 10 10 DDCE C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@]2(CCO[C@H](C)C2)O1 373748144 YYUCGBZDKXSUGG-BWACUDIHSA-N 321.373 1.896 10 10 DDCE CC(=O)C(=O)COC(=O)CSc1nnc(-c2ccco2)o1 808495185 WMFOVTNCTCPGQU-UHFFFAOYSA-N 310.287 1.123 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(F)cc2)c1C 808500544 PVFYHPLSPZHHCC-UHFFFAOYSA-N 304.277 1.635 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C 808515193 KVLLFJBLCSVIAX-JTQLQIEISA-N 315.391 1.025 10 10 DDCE CC(C)N(Cc1cc(Cl)cc([N+](=O)[O-])c1O)C[C@H](O)CO 817417624 LPQPEZJFTHYDEU-NSHDSACASA-N 318.757 1.517 10 10 DDCE Cn1cc(C(=O)NCc2cc(Br)ccc2O)nn1 811523934 RYJDPIGPFJDGAY-UHFFFAOYSA-N 311.139 1.213 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@H]2C[C@H](O)C23CCC3)c1O 827364545 FHDYGVDYQHYBHH-RYUDHWBXSA-N 308.334 1.702 10 10 DDCE CSC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)O 908758465 LJBJCLIXOPJSKC-LBPRGKRZSA-N 311.407 1.368 10 10 DDCE CO[C@]1(CN[C@H](C)c2ccc(C)cc2O)CCS(=O)(=O)C1 903365331 MBZNETWKVATEQB-DOMZBBRYSA-N 313.419 1.555 10 10 DDCE CCOc1ccc(O)c(CN2C[C@@H](C(=O)OC)C[C@@H](O)C2)c1 843433772 COKIDVYKNNDNNI-QWHCGFSZSA-N 309.362 1.147 10 10 DDCE CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)NCCc1ccc(N)cc1 841957876 FECMPCZYGPUNCF-LSDHHAIUSA-N 323.437 1.269 10 10 DDCE CC(C)(CNC(=O)/C=C\c1ccc(O)c(O)c1)n1ccnc1 912615714 PHEFKUSHNDOPMW-XQRVVYSFSA-N 301.346 1.859 10 10 DDCE Nc1ccc(CCNC(=O)N2CCN(CC(F)F)CC2)cc1 841956460 FHBFFKDEODMHOR-UHFFFAOYSA-N 312.364 1.404 10 10 DDCE CCN1C[C@@H](CNC(=O)NCc2c(O)cccc2F)CC1=O 923076434 ZUKRKCJHBVGCOU-SNVBAGLBSA-N 309.341 1.199 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCc2n[nH]cc21 763280609 SHAMGUDTAGEIBU-CMPLNLGQSA-N 315.373 1.988 10 10 DDCE COc1ccc(OC)c(NC(=S)NNc2nnc(C)n2C)c1 863205284 HCBIUKHPWQPQRS-UHFFFAOYSA-N 322.394 1.454 10 10 DDCE CN1CCCc2cc(CNC(=O)NCc3ccn(C)n3)ccc21 765763335 PMGWNCDMQCAVNZ-UHFFFAOYSA-N 313.405 1.802 10 10 DDCE CC(=O)N1CCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O 868938211 RWAGOEZSXOUDFD-CQSZACIVSA-N 313.357 1.568 10 10 DDCE COc1ccc(O)c([C@H](C)NS(=O)(=O)[C@@H]2CCO[C@@H]2C)c1 785495418 PMGCMGBXLNOYLZ-IMSIIYSGSA-N 315.391 1.559 10 10 DDCE C[C@@H](NCc1c(O)ccc(Cl)c1F)c1nnc(O)n1C 895178350 ZQKOPCWRIWGXIR-ZCFIWIBFSA-N 300.721 1.870 10 10 DDCE CC(=O)c1cn(C2CN(Cc3cc(C)c(C)cc3O)C2)nn1 897939012 QDZRXYMBJMYEGI-UHFFFAOYSA-N 300.362 1.860 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@@H]3C[C@]3(CO)C2)cc1F 782952837 FQOFCTJAZHZWCE-BLLLJJGKSA-N 307.369 1.416 10 10 DDCE CO[C@]1(C)CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 795191472 YAGDJRRWNXYYPD-OAHLLOKOSA-N 321.333 1.931 10 10 DDCE O=C1COc2cc(NC(=O)c3cccc(O)c3O)ccc2N1 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SYYOBPLGFURGGS-JOCHJYFZSA-N 316.382 1.983 10 10 DDCE C[C@H](NC(=O)[C@H](C)CC(N)=O)c1ccc(N2CCOCC2)cc1 1583676807 QXPSWSQPHFZQPX-OLZOCXBDSA-N 319.405 1.212 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CC[C@H]3[C@H](C2)C3(F)F)cc1 1653830016 FXKHOMVALQEULC-GJZGRUSLSA-N 323.387 1.956 10 10 DDCE COc1ccc(CNC/C=C\CNC(=O)[C@@H]2CCOC2)cc1C 1668737981 DQKXGQPZIICMEH-MJSXRHKHSA-N 318.417 1.802 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)Cc2ccon2)cc1C 1699399294 DPHBQRJFNVWJQW-ZDUSSCGKSA-N 317.389 1.829 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)CC2(O)CCC2)cc1C 1699360512 IFCBPYUQOSIWDJ-CQSZACIVSA-N 320.433 1.903 10 10 DDCE COc1ccc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(O)c1OC 893942390 GISHWBDUQJJLHB-SUHUHFCYSA-N 320.389 1.495 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@@H](O)[C@H]3C2)c(Br)c1 2033979074 YMVAAEDOVLZFAQ-COPLHBTASA-N 311.223 1.986 10 10 DDCE CO[C@@H]1CN(C)C[C@H]1NCc1c(O)cccc1Br 2034335884 PFHHYFJAAPDNIB-DGCLKSJQSA-N 315.211 1.573 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CC(CF)C3)c(Br)cc21 2041176446 IVPBVWHRYCNIIO-NSHDSACASA-N 314.158 1.807 10 10 DDCE Cc1nc(C)c(CNS(=O)(=O)Cc2ccc(N)cc2)s1 313490854 HITVOGBJZRMVNY-UHFFFAOYSA-N 311.432 1.962 10 10 DDCE COC[C@@H]1CN(c2ccc(CN)c(Br)c2)CCO1 705815228 NDDHMWWNGBRPPX-LBPRGKRZSA-N 315.211 1.759 10 10 DDCE COc1cc(Cl)cc(CN2CC[C@H](CO)[C@H](N)C2)c1O 2178869783 GQNXNXRPSANKRV-BXKDBHETSA-N 300.786 1.196 10 10 DDCE CN(C)C(=O)OCCNCc1ccc(Br)cc1O 691468526 VBOQERNCYXDQSK-UHFFFAOYSA-N 317.183 1.943 10 10 DDCE CC(C)N1CCC[C@@H](C(=O)NCc2c(O)cc(O)cc2O)C1 2062251268 OURWMHLZCSDSAU-LLVKDONJSA-N 308.378 1.540 10 10 DDCE CC[C@]1(CO)CCCN1C(=O)c1cnn2c(O)cc(C)nc12 2063360166 LBQXXUFASGIONT-OAHLLOKOSA-N 304.350 1.120 10 10 DDCE COC(=O)c1cnn(-c2ccc(O)c(O)c2)c1Br 2070440776 MLAJVNCREQFSFJ-UHFFFAOYSA-N 313.107 1.833 10 10 DDCE [N-]=[N+]=NCC1(CNC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 2174351653 MUDKPDMODPIAFH-SECBINFHSA-N 318.424 1.113 10 10 DDCE CC1(C)[C@@H](O)[C@@H](O)CN1c1ccc(CO)cc1Br 2060876296 UWGVJHZBCVOLGT-RYUDHWBXSA-N 316.195 1.262 10 10 DDCE CN(Cc1ccc(N)cc1)c1cnn(C)c(=O)c1Br 2092475405 NDHQUMRBVZNCLS-UHFFFAOYSA-N 323.194 1.761 10 10 DDCE COc1ccc(N2C[C@H](O)[C@H](O)C2)c(OC)c1Br 2219373839 GUJQZXIQNRHFGO-DTORHVGOSA-N 318.167 1.008 10 10 DDCE CC[C@@]1(C)NC(=O)[C@H](C)N(Cc2cnc(SC)s2)C1=O 2284663683 ATUZSIKYSFLOQY-ISVAXAHUSA-N 313.448 1.881 10 10 DDCE CO[C@H](C[S@](=O)CC(=O)c1ccc(O)c(O)c1)C(C)C 2284013315 QSQMYUYUSMKULV-JLTOFOAXSA-N 300.376 1.700 10 10 DDCE CC(C)c1ccc(C=C2C(=O)NC(=S)NC2=O)cc1[N+](=O)[O-] 59465270 XUHUCWMTZSZIBK-UHFFFAOYSA-N 319.342 1.633 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)Cn2cncn2)c1 103613575 ZZKOFLCVDVBSSR-QWRGUYRKSA-N 319.365 1.441 10 10 DDCE Cc1c(/C=C\C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1C 606443867 VSWNEMCFLMQABP-XOIDGJRKSA-N 315.373 1.900 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCN(C)C(=O)C2)c([N+](=O)[O-])c1 255359378 RPLRQVUTZVRZBI-XQRVVYSFSA-N 319.317 1.059 10 10 DDCE COc1cccc(CNC(=O)C2CN(CC(F)(F)F)C2)c1O 806762403 DRPBLLGSGCPAGD-UHFFFAOYSA-N 318.295 1.511 10 10 DDCE Cc1cnn(CC(=O)NCc2cc(Br)ccc2O)c1 804739448 YWASRVFPUSDCBY-UHFFFAOYSA-N 324.178 1.976 10 10 DDCE CC(C)N(CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCOC1 298440589 QOMMNKHRDMXBHF-KRWDZBQOSA-N 319.449 1.868 10 10 DDCE COc1cccc(O)c1CN1CC[C@@H](N(C)C(=O)N(C)C)C1 827545105 SYCUEVKEVQAKSE-GFCCVEGCSA-N 307.394 1.589 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCN(S(C)(=O)=O)CC2)cc1 835025999 PSSCKJFBBQDDGK-SNAWJCMRSA-N 323.462 1.343 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@@H](O)CN2CCCC2)cc1 835037449 WHBJZJDDRWXWHZ-DUMMIQTOSA-N 303.450 1.812 10 10 DDCE CCc1cccc(CN[C@H](C(=O)OC)c2ccn(C)n2)c1O 848905473 IFRRDXBSTCFGTK-AWEZNQCLSA-N 303.362 1.692 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCC[C@@H](NCCO)C2)c1O 923404598 YXWAYGGCBYZZIV-CQSZACIVSA-N 310.369 1.280 10 10 DDCE COC[C@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852060550 VVFTWVFEXLRJCH-KGLIPLIRSA-N 321.421 1.856 10 10 DDCE CCc1c(C(=O)NCc2cc(C)ccc2O)[nH]c(C)c1C(N)=O 862758438 ZCWWQCLHEVHFCI-UHFFFAOYSA-N 315.373 1.928 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cnc(O)n3C)C2)cc1 869228962 QJRYAIHMFRFDSD-NSHDSACASA-N 316.361 1.143 10 10 DDCE COCCn1ncc(C(=O)NCc2cc(OC)ccc2O)c1C 866766659 ACJQFUCIERGUFE-UHFFFAOYSA-N 319.361 1.482 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@H](O)C2(CC2)C1 1119628477 MMVTXJQSWVXNCI-CYBMUJFWSA-N 305.355 1.909 10 10 DDCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)N5Cc6cccc(O)c6C5)[C@H]1[C@@H]3[C@@H]42 871204744 JMVJPTUJQLMJBZ-KDJMDHJNSA-N 307.349 1.561 10 10 DDCE CC(=O)c1cc(F)cc(Cn2cc([C@H]3CCCNC3)nn2)c1O 880996375 SZCWUKCNYYKGKD-NSHDSACASA-N 318.352 1.841 10 10 DDCE CCOc1ccc(O)c(CN[C@@H](C(=O)OC)c2ccn(C)n2)c1 787438659 SQWNRSSGYBILQG-OAHLLOKOSA-N 319.361 1.528 10 10 DDCE CN(C)S(=O)(=O)C1(CNCc2cccc(Cl)c2O)CC1 895812125 LRBRCAVREAQHTR-UHFFFAOYSA-N 318.826 1.559 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@@H](c3ncon3)C2)c(O)c1O 1156093982 ATENWBPHXKKJPC-SNVBAGLBSA-N 303.318 1.809 10 10 DDCE COc1cccc([C@H](O)C(=O)NCc2c(O)cccc2F)c1 1156170063 DYSJPXMKZBEDPP-HNNXBMFYSA-N 305.305 1.890 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CC4(CCO4)C3)c(Br)cc21 2115158645 LWFDMSBFCVSICH-LLVKDONJSA-N 324.178 1.380 10 10 DDCE COc1cc(S(=O)(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)sn1 1912148104 PCSFGFBWBKQKKK-QMMMGPOBSA-N 317.396 1.863 10 10 DDCE CC[C@H]1C(=O)NCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1465001032 ZRQAOMVUCDXZKA-NSHDSACASA-N 303.322 1.200 10 10 DDCE COc1cc(CNCCC(=O)O)ccc1N1CCC(O)CC1 212704534 JLTZTEAXNPLZRC-UHFFFAOYSA-N 308.378 1.221 10 10 DDCE CN1Cc2ccccc2[C@H](NC(=O)c2cccc(O)c2O)C1=O 1557542471 TVWYQCIZZYJGKW-AWEZNQCLSA-N 312.325 1.541 10 10 DDCE CN(CC(=O)NCc1ccc(O)cc1O)c1ccc(Cl)cn1 1630306976 QQOFUDJRZGCQMK-UHFFFAOYSA-N 321.764 1.899 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCn2ncnc21 1639624894 OGBFZIXEVOLNJY-ZDUSSCGKSA-N 323.356 1.726 10 10 DDCE CC(=O)NCc1cccc(C(=O)NCc2ccc(O)cc2O)c1 1639444479 NAPYLUFZIWDLPC-UHFFFAOYSA-N 314.341 1.664 10 10 DDCE C=C/C=C/CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 1644684733 QSBIPLPCIXXGLP-SNAWJCMRSA-N 310.375 1.626 10 10 DDCE COC(=O)c1cnc(C(=O)N[C@H](C)c2ccccc2O)cn1 1643738830 SKLMRVLGYHQCTL-SECBINFHSA-N 301.302 1.460 10 10 DDCE Cc1cccc(CNCc2c(Br)nnn2C)c1O 1967833553 CNHMUHHBLSKHFV-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE CN(Cc1ccc(N)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1977849011 NIFDDSHUSWVELR-LSDHHAIUSA-N 321.421 1.681 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(N)cc1 1993231461 PJMPPXBZQDISRN-CHWSQXEVSA-N 321.377 1.578 10 10 DDCE NCCc1cnc(Sc2nnnn2-c2ccccc2)s1 2155364646 RCQILPQEHZLBFB-UHFFFAOYSA-N 304.404 1.771 10 10 DDCE N[C@H]1COCCN(Cc2cc(Br)cc(F)c2O)C1 2034723484 QSDBBGWFHYIEBL-SNVBAGLBSA-N 319.174 1.453 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1ccc(CO)s1 2157799739 JEZOBXJIKWHSJV-UHFFFAOYSA-N 313.400 1.767 10 10 DDCE C[C@H](N)Cc1cnc(SCC2(S(C)(=O)=O)CC2)s1 2222033014 DFARKUBLNGJVQP-QMMMGPOBSA-N 306.478 1.702 10 10 DDCE C[C@H](O)c1ccc(N(C)C2CC(S(C)(=O)=O)C2)c(F)c1 716103146 RZRUQQLWJREAFH-GCVQQVDUSA-N 301.383 1.891 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCN3CCOC[C@@H]23)c1 2064278679 WTCXFENVBIJUJW-WHOFXGATSA-N 320.389 1.299 10 10 DDCE O=C(O)CNC1=NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1 5763909 ZWUSTBLSVZUOSP-WMZJFQQLSA-N 306.299 1.060 10 10 DDCE Cn1cc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)c(Br)n1 2052975337 GACKMNBMUZYEAP-SSDOTTSWSA-N 313.159 1.955 10 10 DDCE NCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1Br 2081450095 WFDHSTDGGSQCLS-IAZYJMLFSA-N 310.195 1.075 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1ccc(N)cc1 2210495462 NITSPPMZEPVKED-IHRRRGAJSA-N 323.393 1.022 10 10 DDCE CCNCCCS(=O)(=O)NCc1cnc(SC)s1 2257098479 WVQNPICQIRWGGZ-UHFFFAOYSA-N 309.482 1.284 10 10 DDCE CS(=O)(=O)c1cscc1NC(=O)c1ccc(O)c(O)c1 2288549681 LBOYDKNUNBWRGD-UHFFFAOYSA-N 313.356 1.815 10 10 DDCE CSc1ncc(CNC(=O)c2csc(C(=O)O)n2)s1 2269140430 YQGKMXWCAFLWLE-UHFFFAOYSA-N 315.401 1.950 10 10 DDCE COC(=O)C=Cc1ccc(N(C)Cc2nc[nH]n2)c([N+](=O)[O-])c1 2297625343 SNTSDWZZFUKYSW-UHFFFAOYSA-N 317.305 1.536 10 10 DDCE CN1C(=CC=C2C(=O)NC(=S)NC2=O)Sc2ccccc21 2314479303 MKNYWNZGBOEBCS-UHFFFAOYSA-N 317.395 1.527 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCCNCC2)s1 2345194220 ZNXSEXUJYDSZTG-GFCCVEGCSA-N 301.437 1.552 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CC[C@@H](C)OC2)s1 2346028803 RECADFGSOIKECU-PRHODGIISA-N 302.421 1.977 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CCN(Cc4ccccc4)CC3)ccc21 309904408 FTBZYNUOWJPLBU-SFHVURJKSA-N 322.412 1.961 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CN(C)CCO1 108930513 IOBXEVCHDGUKCB-HNNXBMFYSA-N 321.421 1.644 10 10 DDCE Nc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])nc2)cc1 78571530 LFIWOSKOTXALBD-UHFFFAOYSA-N 308.319 1.051 10 10 DDCE O=C(NCCNC(=O)c1cccc(O)c1O)c1ccccc1 186862602 IXLOEPJLXKDKDD-UHFFFAOYSA-N 300.314 1.258 10 10 DDCE Cc1ccc(O)c(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 92044986 LGZVBEFWXODYMG-HNNXBMFYSA-N 324.446 1.701 10 10 DDCE CCN(CC)C(=O)[C@H]1CCCN1Cc1cc2c(cc1O)OCO2 92510694 FTXZNJCAPWNGAP-CYBMUJFWSA-N 320.389 1.954 10 10 DDCE C[C@]1(Br)C[C@@H]1C(=O)NCc1ccc(O)c(O)c1 528867201 ZEAWQMHXNDMVMY-PELKAZGASA-N 300.152 1.888 10 10 DDCE O=C(O)CCCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255346216 MIOZAYVMVWOOLQ-YVMONPNESA-N 318.373 1.517 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C 808522256 CWMSAFMTZHTIKF-VIFPVBQESA-N 301.339 1.191 10 10 DDCE CC(=O)C(=O)COC(=O)CCCc1nc(-c2cccs2)no1 808503895 OLKRWHVWSIUVPT-UHFFFAOYSA-N 322.342 1.822 10 10 DDCE O=C(CN1CCC2(C1)CC1(C2)OCCO1)c1ccc(O)c(O)c1 2165133881 KIBDSDKTKQIRKV-UHFFFAOYSA-N 319.357 1.510 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H]2COC[C@@H](C1)O2 802173382 ZPTLKUNLFJWVBM-IYBDPMFKSA-N 319.405 1.370 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1cn([C@@H]2CCCNC2)nn1 818076417 HWSBKCWAXRBBMU-CYBMUJFWSA-N 315.377 1.180 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)CCNC(C)=O)c([N+](=O)[O-])c1 826648918 PAYKZUYBAINEEH-ALCCZGGFSA-N 321.333 1.353 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCOC[C@@H]2CC(=O)O)cc1 902002670 SLTXIOQRRNZUJK-QGZUEGPWSA-N 304.390 1.941 10 10 DDCE COc1ccc(N2CCN(CCCNC(=O)CCF)CC2)cc1 900014051 CJMRAHNHGCLJIV-UHFFFAOYSA-N 323.412 1.683 10 10 DDCE COC(=O)Cc1ccc(NC(=O)c2cc(O)c(O)c(O)c2)cc1 586737148 NXIZGHKUKIZIHQ-UHFFFAOYSA-N 317.297 1.771 10 10 DDCE C[C@@H]1CNCC[C@@H]1NCc1ccc(N2CCN(C)CC2)cc1 841065252 ZLDWBWYCDXPNEU-QAPCUYQASA-N 302.466 1.526 10 10 DDCE CCOc1cccc(CN2C[C@@H](C)N(CCO)C[C@H]2C)c1O 841892497 ZSHUWLNGZCXGJN-ZIAGYGMSSA-N 308.422 1.678 10 10 DDCE CN1C[C@@]2(C)CN(C(=O)/C=C/c3ccc(O)c(O)c3)C[C@@]2(C)C1 913280267 BNWJSUKCGJKIPB-OBJZWFGXSA-N 316.401 1.911 10 10 DDCE Oc1cc2c(cc1CN1CCNC[C@H]1c1cccnc1)OCO2 843115308 HIHTYVBYZIBFLV-AWEZNQCLSA-N 313.357 1.662 10 10 DDCE CCNC(=O)N1CC[C@@H](NC(=O)NCc2c(O)cccc2F)C1 921462558 UNRJJKRBLHYBAA-SNVBAGLBSA-N 324.356 1.134 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 855229075 HKUCNSXYMSVMQK-RHSMWYFYSA-N 319.449 1.976 10 10 DDCE CON(C)C(=O)[C@H](C)NCc1cc(F)c(N(C)C)cc1F 858320508 DNIYVAILVTVXFQ-VIFPVBQESA-N 301.337 1.529 10 10 DDCE COc1ccc(CNC(=O)[C@@H]2CCn3cc(C)nc3C2)c(O)c1 861489540 FLJPAYOWUZENCH-GFCCVEGCSA-N 315.373 1.785 10 10 DDCE CNCc1ccc(N(C)[C@H]2COC[C@@H]2O)c(Br)c1 708076256 UVUBIUJIPKXJJZ-STQMWFEESA-N 315.211 1.364 10 10 DDCE CCOC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1135547140 RIECVTCWNKITRX-GFCCVEGCSA-N 307.346 1.442 10 10 DDCE COCCN1[C@@H](C)CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1C 1163177923 VUCSCBUNSWCGBM-BETUJISGSA-N 322.405 1.208 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)NCCc2ccsc2)cc1 1328747810 XNOIEGSTFMRTOJ-UHFFFAOYSA-N 317.414 1.348 10 10 DDCE C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC(C)(C)O1 1329788394 WJKYTJZLUXOXGG-LLVKDONJSA-N 318.373 1.260 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 1331490832 YZIXCBZIDKOHIR-YDHLFZDLSA-N 301.390 1.232 10 10 DDCE CCOC[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1C 1342460044 BENUPFZQIHIGDN-ZDUSSCGKSA-N 321.421 1.218 10 10 DDCE C[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)NCCF 1266191331 AGAYPWMCHKYRJO-JTQLQIEISA-N 309.345 1.917 10 10 DDCE CC[C@@H]1C[C@@](NCCN=[N+]=[N-])(C(N)=O)CN1Cc1ccccc1 1912199636 VMHAAGRMIJLJTF-ZBFHGGJFSA-N 316.409 1.795 10 10 DDCE CN(Cc1cc(Br)cc(F)c1O)C(C)(C)C(N)=O 1915536231 OTLQPTJOZJETOM-UHFFFAOYSA-N 319.174 1.990 10 10 DDCE O=C1C[C@@H](C(=O)NCc2cccc(O)c2O)c2ccccc2N1 1455317253 JRROPECIIIUUFF-GFCCVEGCSA-N 312.325 1.840 10 10 DDCE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)C(=O)C(C)=O 1919335368 QWDOEHQLNRSPOV-WBMJQRKESA-N 313.394 1.933 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCN(CC(F)(F)F)CC1 1629115560 FIGUKHQLNXASSQ-UHFFFAOYSA-N 318.295 1.347 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)c2ccccn2)cc1 1556765420 QDNQTSIFLCHYDO-CYBMUJFWSA-N 313.317 1.707 10 10 DDCE CO[C@@H]1COCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 1636303593 WQBALWISZGOLHO-WCQYABFASA-N 320.349 1.630 10 10 DDCE COc1cc(CO)ccc1C(=O)NCc1ccc(O)c(O)c1 1635959482 KHZBDPKSGGIJPG-UHFFFAOYSA-N 303.314 1.529 10 10 DDCE CN(C[C@H](O)c1cccnc1)C(=O)/C=C/c1ccc(O)c(O)c1 1647562943 WEEXCYCRJGYUPA-YERXGYGTSA-N 314.341 1.698 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CNc2cccnc2-n2cncn2)c1 161949593 DITBOIZTKYAWCZ-UHFFFAOYSA-N 312.289 1.888 10 10 DDCE CC[C@H](NOCC(N)=O)c1cc(Br)ccc1O 169144673 VBHAPBARFKLBKM-VIFPVBQESA-N 303.156 1.612 10 10 DDCE CNCc1ccc(N2C[C@@H](O)[C@H](F)C2)cc1Br 1944301481 MOJOMXWYQPPWEK-VXGBXAGGSA-N 303.175 1.688 10 10 DDCE COc1cc(Cl)cc(CNC[C@@H]2COC[C@@H]2OC)c1O 2154124407 IWQHJJRVOJUICZ-MFKMUULPSA-N 301.770 1.805 10 10 DDCE CO[C@@H]1COC[C@H]1CNCc1ccc(Br)cc1O 2036616146 ZDSZNRMQIZMKFH-ZWNOBZJWSA-N 316.195 1.906 10 10 DDCE CN(C(=O)c1cccc(O)c1O)C1CCC2(CC1)OCCO2 318758985 KSHANGUMWULMOA-UHFFFAOYSA-N 307.346 1.856 10 10 DDCE OCC[C@H]1CN(c2ccc(CO)c(Br)c2)CCO1 2052687730 ILVGHKWCWPTONZ-LBPRGKRZSA-N 316.195 1.529 10 10 DDCE Cn1nc(Br)c(CNCCCc2ccc(N)cc2)n1 2226964443 SBMFHTHFSPXHQK-UHFFFAOYSA-N 324.226 1.882 10 10 DDCE COc1cc(OC)c(N2CC[C@@](N)(C(=O)O)C2)cc1Cl 2285855983 JUKCLYRSXRUQKI-ZDUSSCGKSA-N 300.742 1.349 10 10 DDCE Nc1cccc(Br)c1N[C@H]1CCC2(CNC2)OC1 2315453176 KGZNSLLBDSPEQO-VIFPVBQESA-N 312.211 1.964 10 10 DDCE Nc1ccccc1N[C@H]1CCN(S(=O)(=O)C(F)(F)F)C1 2360223353 OMACLTGLZYZXPT-QMMMGPOBSA-N 309.313 1.605 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H]3C[C@H]2[C@@H]3C(=O)O)s1 2359407483 RPGCPSJZOOUSSO-CNUIFLNQSA-N 313.404 1.480 10 10 DDCE CC(=O)NCCCN[C@@H](C)c1ccc(N2CCC(O)CC2)cc1 121316336 TXVLGNHGZBFKMD-AWEZNQCLSA-N 319.449 1.825 10 10 DDCE CCOc1cccc(CNN(C)S(=O)(=O)C(C)C)c1O 2365263200 YCRFTGSVNXEHII-UHFFFAOYSA-N 302.396 1.466 10 10 DDCE COc1cccc(CN2C[C@H](C)[C@@H](N3CCOCC3)C2)c1O 180232545 PLTKBNAEBIQPAN-ZFWWWQNUSA-N 306.406 1.553 10 10 DDCE CC(=O)C(=O)COC(=O)CCCNC(=O)c1ccc(F)cc1 808509617 QUTKQFNXVISBPZ-UHFFFAOYSA-N 309.293 1.037 10 10 DDCE C[C@@H]1CC[C@@H](C2OCCO2)N(CC(=O)c2ccc(O)c(O)c2)C1 2165133859 KEZMCXZUSVEVKI-YPMHNXCESA-N 321.373 1.754 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNCC[C@H](O)C(F)(F)F)c1O 809743417 RBSPFNSMOXHHCJ-VIFPVBQESA-N 324.255 1.712 10 10 DDCE CC(C)C(=O)N1CCC(NC(=O)NCc2ccccc2O)CC1 299477043 FXKLTMNWTXZORR-UHFFFAOYSA-N 319.405 1.838 10 10 DDCE CN(C(=O)/C=C\c1cnccn1)c1cccc(S(C)(=O)=O)c1 492317445 JNYWWDIPOMTFLM-SREVYHEPSA-N 317.370 1.556 10 10 DDCE CN(C)c1ccc(CNC(=O)NCC[C@H](O)C(F)(F)F)cc1 734512720 WXPPUKHOROCZST-LBPRGKRZSA-N 319.327 1.865 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN(C)C1=O 907272189 FTFUDOLNUQMGGU-JQWIXIFHSA-N 306.362 1.013 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)Cc2ccc(O)nc2)c1 830540404 IWYHYOOLIQHARN-JTQLQIEISA-N 302.330 1.921 10 10 DDCE C[C@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1cc([N+](=O)[O-])ccc1O 848571013 OMQUMTAJYKJKOK-CABZTGNLSA-N 321.333 1.934 10 10 DDCE C[C@@H](O)[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CCO1 840978006 ONXOAQKHUFEIMB-PELKAZGASA-N 316.741 1.535 10 10 DDCE COC[C@@H](CN(C)Cc1ccc(N2CCOCC2)cc1)OC 851717086 HNJCKVHKYCMSIO-QGZVFWFLSA-N 308.422 1.616 10 10 DDCE Cc1ccc(O)c(CN[C@H]2CCN(c3ccc4nncn4n3)C2)c1 858244254 UGHOEUUNMVPLIN-AWEZNQCLSA-N 324.388 1.507 10 10 DDCE CCOC(=O)C12CC(CN1C(=O)c1ccc(C)c(O)c1O)C2 856250956 XRCMDUDUGGQWGZ-UHFFFAOYSA-N 305.330 1.574 10 10 DDCE CN1C[C@@H](CCNC(=O)N(C)Cc2ccccc2O)CC1=O 924730314 FAPMPRDHUSIABL-LBPRGKRZSA-N 305.378 1.402 10 10 DDCE Nc1ccc(OC[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 390709936 WJMJTVJLPINPCW-GFCCVEGCSA-N 312.325 1.305 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)C1CN([C@H]2CCOC2)C1 898277474 NQEZKJYBNZALLK-ZDUSSCGKSA-N 310.781 1.383 10 10 DDCE C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cc(O)ccc1O 1153879605 REFBJASYCCODKB-HWPZZCPQSA-N 315.325 1.943 10 10 DDCE Cc1ccc(O)c(CNC(=O)NCc2nc(C(C)C)n[nH]2)c1 1312757340 PCPAWHBBEYNZRY-UHFFFAOYSA-N 303.366 1.942 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)[C@H]1CCC12CNC2 2123313394 BRFZEEYXNZDYNC-NSHDSACASA-N 302.783 1.539 10 10 DDCE Oc1ccc(CN(Cc2ccccc2)CC2(O)CNC2)c(O)c1 1915474775 RVZZVKSONBKPIX-UHFFFAOYSA-N 314.385 1.434 10 10 DDCE NCc1ccc(N(CCO)C2COC2)c(F)c1Br 1915536227 OQZSCRYNATXHQU-UHFFFAOYSA-N 319.174 1.244 10 10 DDCE COC(=O)[C@H](CF)NC(=O)c1cc2cc(O)c(O)cc2s1 1468570799 NUBPXHIDIPROKK-ZETCQYMHSA-N 313.306 1.553 10 10 DDCE CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cccc(O)c1O 1466220233 RHIMQFWSJNSWGI-OSAQELSMSA-N 320.389 1.422 10 10 DDCE CCO[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)[C@@]12CCCO2 1633709536 CBZFQJQNKKMSLA-UXLLHSPISA-N 321.373 1.483 10 10 DDCE O=C(Cn1nnnc1-c1ccccc1)N1Cc2cccc(O)c2C1 1587933593 XAJKXLHZZGCXAN-UHFFFAOYSA-N 321.340 1.588 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)[C@H]2CCCO2)cc1C 1662157327 QHNWOSPJIGJWDW-XJKSGUPXSA-N 306.406 1.777 10 10 DDCE COc1ccc(CNCCN(CCO)C(=O)[C@H]2C[C@@H]2C)cc1C 1672576136 PILMXTKKEJLSMN-BBRMVZONSA-N 320.433 1.570 10 10 DDCE COc1cc(C(=O)N[C@H](C)CNC(=O)C(C)(C)C)cc(OC)n1 1688180613 HGWOLLHUJFSEFS-SNVBAGLBSA-N 323.393 1.379 10 10 DDCE Nc1ccc(CCC(=O)NCc2nc(C(=O)O)cs2)cc1 158173545 XMHRIGRCLKEZDE-UHFFFAOYSA-N 305.359 1.673 10 10 DDCE COc1ccc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1 2550809 CXQGNVFXVAIAQT-UHFFFAOYSA-N 319.317 1.050 10 10 DDCE C[C@H](CS(=O)(=O)N(C)C)NCc1cccc(Cl)c1O 1967712122 CCVPBIGEUTYTRJ-SECBINFHSA-N 306.815 1.415 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)Nc1ccc(N)cc1 1993329243 YNMQTTMVKISDDD-CYBMUJFWSA-N 323.393 1.873 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)c1c(F)cc(CN)cc1F 2170567147 OEKQFPHUICNUGI-VIFPVBQESA-N 306.378 1.683 10 10 DDCE O=C(O)CC1(O)CN(Cc2ccc(Br)cc2O)C1 2048114060 IYXKHRYIQGTNJW-UHFFFAOYSA-N 316.151 1.176 10 10 DDCE COCC1(CNCc2cccc(Br)c2O)COC1 2082965947 PKNFMHLXHOXYBI-UHFFFAOYSA-N 316.195 1.907 10 10 DDCE CC[C@@](C)(O)CNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297723346 BBIPMSIMVBOPJU-GOSISDBHSA-N 318.417 1.814 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@H]1CCCNC1 2301575677 HRPXBPLNZKBLCN-INIZCTEOSA-N 315.417 1.405 10 10 DDCE CNC(=O)[C@H]1CN(C(=O)/C=C\c2cnccn2)c2ccccc2O1 491116168 BRNQCXFQMADFOS-IDTUSYRASA-N 324.340 1.030 10 10 DDCE CCn1nc(Br)c(COc2ccc(C)nc2N)n1 2326875177 KQHDFSIWYLGWFI-UHFFFAOYSA-N 312.171 1.925 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC2(CC1)OCCO2 170045043 NRHQVYQDAWQAAV-LBPRGKRZSA-N 321.373 1.642 10 10 DDCE Cc1noc(CCNC(=O)NCc2ccc(N(C)C)cc2C)n1 115672414 XORXMIPPRJQUQN-UHFFFAOYSA-N 317.393 1.794 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H](O)CF 1952205950 DQZGFHMACPHIQU-ZWNOBZJWSA-N 315.341 1.864 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@H](F)CO 1952376935 VJNCVUUFSILTMJ-MNOVXSKESA-N 315.341 1.864 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1c2ccccc2C[C@@H]1O 181228120 JUOJJOCZDZMCGS-VYOWTIGJSA-N 311.337 1.886 10 10 DDCE C[C@@H](NS(=O)(=O)CCCCCCN)c1ccccc1O 2364185430 ZHBZKZPJOVXCEY-GFCCVEGCSA-N 300.424 1.892 10 10 DDCE CCNCc1cc(F)c(N2C[C@H](CO)OC[C@H]2C)c(F)c1 250178583 LBZAUZPOJLWEJV-ZYHUDNBSSA-N 300.349 1.660 10 10 DDCE Cc1cccc(CN2CCN(CCC(=O)N(C)C)CC2)c1O 271836328 PPJSUNHMUSOFBB-UHFFFAOYSA-N 305.422 1.297 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCOC[C@@H]1CC(F)F 804723164 SHKRXQZTLLRGJU-FWEMWIAWSA-N 313.300 1.994 10 10 DDCE CO[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CCOC1 821843976 XQISCBDCWKASLP-WBVHZDCISA-N 318.417 1.955 10 10 DDCE C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)[C@@H]1O 827151684 ICDJQGWDKJDZDX-HWWDLCQESA-N 304.434 1.972 10 10 DDCE C[C@@H]1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CN1C1CC1 588405179 OHNBIYUWPGJCRP-JKEYLAGBSA-N 302.374 1.852 10 10 DDCE CCN(C)c1ccc([C@H](C)NC[C@@]2(CO)COCCN2C)cc1 903283899 YBGBHAVFUNUBDF-MAUKXSAKSA-N 321.465 1.486 10 10 DDCE C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1cccc(Cl)c1O 843428049 FSHNJRSPDZHEIE-LLVKDONJSA-N 311.813 1.597 10 10 DDCE Nc1ccc(CCNC(=O)NCC[C@@H](O)C(F)(F)F)cc1 841957913 FMGSJTRVDAVUFB-LLVKDONJSA-N 305.300 1.424 10 10 DDCE COCc1cc(O)ccc1NS(=O)(=O)N1CC[C@@H](C)C1 840917238 IBHMBZNIBKRZDN-SNVBAGLBSA-N 300.380 1.537 10 10 DDCE C[C@@H](CC(=O)NCCCSc1nccs1)NC(N)=O 847488118 UEXVCUWKQXXNCA-QMMMGPOBSA-N 302.425 1.188 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](C(=O)OC(C)(C)C)C1CCCC1 850128679 HBDPFSYPAJOIET-ZDUSSCGKSA-N 312.362 1.836 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCCOC3)C2)cc1 852125873 YYAPNHUPBXATLY-ZIAGYGMSSA-N 319.405 1.752 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@@H](O)c2ccnn2C)cc1 922971471 ZBKBXBYJWKALNQ-LAQIPUCWSA-N 300.406 1.823 10 10 DDCE COc1ccc(O)c([C@H](C)NC[C@]23COCCN2C(=O)OC3)c1 866521865 QMSVRQLDUUNTCB-MEDUHNTESA-N 322.361 1.273 10 10 DDCE C[C@H](NS(=O)(=O)c1cnc2n1CCC2)c1ccccc1O 867836242 KTIDYFCXGIRWAA-JTQLQIEISA-N 307.375 1.574 10 10 DDCE Oc1cc2c(cc1CN1CC[C@@](O)(C(F)(F)F)C1)[C@@H](O)CO2 762184938 PFZCSJATXGORRM-AAEUAGOBSA-N 319.279 1.317 10 10 DDCE Cc1sc(=O)n(CC(=O)N2Cc3cccc(O)c3C2)c1C 871200863 KZDHKGKVNGBOCX-UHFFFAOYSA-N 304.371 1.775 10 10 DDCE CC(C)(C)OC(=O)COCCNC(=O)c1cc(O)cs1 870337422 SXQJVWQOOXTKSB-UHFFFAOYSA-N 301.364 1.542 10 10 DDCE CO[C@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 1116996735 VCISOQVZOXUGSN-HIFRSBDPSA-N 319.405 1.053 10 10 DDCE COc1ccc(N2CCN(C(=O)C3(F)CC3)CC2)c(OC)c1 870166639 RALQEIQQBHHLSR-UHFFFAOYSA-N 308.353 1.855 10 10 DDCE CN(C)c1ccc(/C=C\CN2CC(C3CS(=O)(=O)C3)C2)cc1 895423675 BACDAUDIFYYIRF-ARJAWSKDSA-N 320.458 1.742 10 10 DDCE C[C@@H](O)c1ccc(N(C)[C@@H]2COC[C@@H]2O)c(Br)c1 708720007 LTIRRJUQHXLDHU-WQHBLYJGSA-N 316.195 1.698 10 10 DDCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)c1ccc(Br)cn1 695239839 YUCLMXLRLCUTNZ-JTQLQIEISA-N 313.159 1.445 10 10 DDCE O=S1(=O)CC[C@H]2CN(Cc3cc(F)cc(F)c3O)C[C@H]21 898081565 KVIPTDDQAGUOFH-QPUJVOFHSA-N 303.330 1.289 10 10 DDCE O=C(NCc1cc(O)ccc1O)C(F)(F)c1nccs1 1303225433 HYSWISAEGDOSPQ-UHFFFAOYSA-N 300.286 1.963 10 10 DDCE O=C(C(=O)N1CCOC2(CCC2)C1)N1Cc2cccc(O)c2C1 1329435438 JYSSGXXNDNONKV-UHFFFAOYSA-N 316.357 1.016 10 10 DDCE CN(C)S(=O)(=O)C[C@@H](N1CC[C@@H](N=[N+]=[N-])C1)C(F)(F)F 1912197030 OGOJNDZBELVQAN-HTQZYQBOSA-N 315.321 1.193 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCn2ncnc21 1469877689 SFMZWXHEIUQONZ-NSHDSACASA-N 306.753 1.831 10 10 DDCE Cc1nc(C)c(CC(=O)NCc2c(O)cccc2O)c(O)n1 1472063001 BNBFZBVZKHSYTF-UHFFFAOYSA-N 303.318 1.069 10 10 DDCE COc1cc(Cl)cc(CNCC(C)(C)S(C)(=O)=O)c1O 228675786 SAEZJHLWEMKUJR-UHFFFAOYSA-N 321.826 1.967 10 10 DDCE Cc1noc([C@H]2COCCN2Cc2cc([N+](=O)[O-])ccc2O)n1 161055761 KCRJQFWQDDFXEP-GFCCVEGCSA-N 320.305 1.565 10 10 DDCE CCOC(=O)COc1ccc(/C=C2/C(=O)NN=C2C)cc1OC 8227855 GSUUSKHLIBDJDM-KPKJPENVSA-N 318.329 1.526 10 10 DDCE CC(C)c1nc2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2n1 1860789556 YYRQBLHNLFDLAD-LCYFTJDESA-N 314.414 1.888 10 10 DDCE COc1ccc(Br)c(CNC[C@@H](C)CO)c1O 1964039973 ZOCFXOQJWKXACC-MRVPVSSYSA-N 304.184 1.881 10 10 DDCE CO[C@@H](CCNC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1885557458 PMUBOLWXCPDQTQ-VIFPVBQESA-N 301.347 1.343 10 10 DDCE C[C@H]1C[C@H](CNCc2ccc(F)cc2O)CCS1(=O)=O 1967900487 DRAHOVUYQCHEOK-WDEREUQCSA-N 301.383 1.834 10 10 DDCE COc1ccc(S(=O)(=O)NCCc2ccc(N)cc2)s1 2153326184 UCBLRNQAPVBNQP-UHFFFAOYSA-N 312.416 1.860 10 10 DDCE CCN[C@H](C)c1cnc(Sc2nnnn2CCOC)s1 2159808145 VMSJSHYGIWCWIA-MRVPVSSYSA-N 314.440 1.598 10 10 DDCE CC1(F)CN(c2cc3c(cc2Br)[C@@H](O)C(=O)N3)C1 2032478491 LXXYZNBBESCJPL-SNVBAGLBSA-N 315.142 1.983 10 10 DDCE C[C@@H](N)c1ccc(N2CCS(=O)(=O)[C@H](C)C2)c(Cl)c1 707153887 ZEUDVIQUYYGFGJ-NXEZZACHSA-N 302.827 1.983 10 10 DDCE NC(=O)N1CC[C@H](NCc2cccc(Br)c2O)C1 393260904 KUKIWDIPGHCJAP-VIFPVBQESA-N 314.183 1.397 10 10 DDCE CNC(=O)[C@H]1CCN(Cc2cccc(Br)c2O)C1 398459823 ILRRNJIMIXMNCW-JTQLQIEISA-N 313.195 1.723 10 10 DDCE C[C@@H](NCc1cc(F)cc(F)c1O)c1nnc(CO)s1 2192611508 OVWYFDGRVOLNTC-ZCFIWIBFSA-N 301.318 1.865 10 10 DDCE O=C(Nc1nc(Cl)nc(Cl)n1)c1cc(O)nc(O)c1 2088921465 MOYYCMZDJIMUSM-UHFFFAOYSA-N 302.077 1.237 10 10 DDCE COc1cc(N)c(N2CCC[C@H](C3OCCO3)C2)cc1OC 2089605872 FGKLXXCPGNBPNQ-NSHDSACASA-N 308.378 1.875 10 10 DDCE C[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@@H]1CCSC1 2089897176 IANIFAYPNNJPIB-ZYHUDNBSSA-N 300.449 1.830 10 10 DDCE CCN(CCN)Cc1c(Br)ccc(OC)c1O 2214865812 CEVKUVNHPLDDTF-UHFFFAOYSA-N 303.200 1.944 10 10 DDCE COc1ccc(Br)c(CN2CCNC[C@H]2C)c1O 2220463318 ZAUWHYXGJOIQOO-SECBINFHSA-N 315.211 1.957 10 10 DDCE COC(=O)NC[C@H](C)NCc1ccc(Br)cc1O 2258234885 XHFOFIGKUUNPPX-QMMMGPOBSA-N 317.183 1.989 10 10 DDCE CCN1C(=O)C(=CN[C@@H]2CCC[C@@H](C)[C@H]2C)C(=O)NC1=S 2296169482 XBVBDIQWIYUKSX-CKYFFXLPSA-N 309.435 1.548 10 10 DDCE C[C@@H](O)CN(C(C)(C)C)S(=O)(=O)Cc1ccc(N)cc1 2288114429 YECJRHIJSNIACN-LLVKDONJSA-N 300.424 1.580 10 10 DDCE COC(=O)[C@H]1CN(C(=O)/C=C\c2cnccn2)c2ccccc21 492034328 RNKZTSXIWZGJLZ-AFNCTOJWSA-N 309.325 1.793 10 10 DDCE CN(C(=O)CS(=O)(=O)CC(F)(F)F)c1ccc(N)cc1 2360222806 GCTPXXYQQNFFNW-UHFFFAOYSA-N 310.297 1.209 10 10 DDCE O=C1NC(=S)N=C(O)/C1=C\C=C/c1ccccc1[N+](=O)[O-] 35227366 UUIOARJXFFJUBP-HYXAFXHYSA-N 303.299 1.906 10 10 DDCE CCOC(=O)Cc1nc(NN(C)S(C)(=O)=O)sc1CC 2365341274 GXFBFHNSFCNKJJ-UHFFFAOYSA-N 321.424 1.029 10 10 DDCE COc1cccc(CN[C@H](CO)Cc2ccc(O)cc2)c1O 190514460 BXMKNVXGNRZKSV-AWEZNQCLSA-N 303.358 1.800 10 10 DDCE COc1cccc(CN2CCN(Cc3nccn3C)CC2)c1O 93131917 MLKRBHAUNTXGJT-UHFFFAOYSA-N 316.405 1.452 10 10 DDCE CN(CCOCCO)c1cc(Br)c(CN)cc1F 385064604 RZFSGXUZYNXCDC-UHFFFAOYSA-N 321.190 1.492 10 10 DDCE C[C@@H](N)c1ccc(N2CCC[C@@H]2C(N)=O)cc1Br 700388505 DPYVMYPIOLYGEM-PRHODGIISA-N 312.211 1.923 10 10 DDCE CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)c1O 295581165 ZKOIQXFAEUMKQA-CVEARBPZSA-N 322.380 1.639 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(CC)C1=O 802531618 VHWXYOANLJNHMG-CQSZACIVSA-N 319.405 1.935 10 10 DDCE CC(=O)C(=O)COC(=O)C1CCN(c2ccc(C)cn2)CC1 808508083 QXRSBAWBNGTKHZ-UHFFFAOYSA-N 304.346 1.308 10 10 DDCE O=C(C[C@@H](O)Cc1ccccc1)NCc1ccc(O)c(O)c1 813491202 SDUNNMACZNCNEU-AWEZNQCLSA-N 301.342 1.708 10 10 DDCE CN1CCN(c2ccc(CNC[C@@H]3CCC[C@H]3O)cc2)CC1 825231622 AYYXEKRNITWCSZ-FUHWJXTLSA-N 303.450 1.689 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCCNC(=O)C2)c([N+](=O)[O-])c1 726787803 XSPDKCXJTAGJEL-XQRVVYSFSA-N 319.317 1.107 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)C[C@@H](O)CN1C 900399320 DEKADZQJWBIAQD-SJLPKXTDSA-N 319.449 1.556 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1onc2c1CCCC2 830531872 OFUGPDZEXDBWIZ-UHFFFAOYSA-N 302.330 1.937 10 10 DDCE CCn1nncc1CN1CCN(c2ccc(OC)cc2)CC1 838783004 GIQMRZMIIHAIEN-UHFFFAOYSA-N 301.394 1.629 10 10 DDCE Cc1cc(O)c(CNC2CC(NS(C)(=O)=O)C2)c(Cl)c1 840943364 PGQBWKWJHAXCTN-UHFFFAOYSA-N 318.826 1.524 10 10 DDCE COc1ccc(O)c(CN2CCC(Cn3cnnc3)CC2)c1 846057009 QRHOOFXHWUHPTD-UHFFFAOYSA-N 302.378 1.905 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)[C@H](C)N)cc1 846176842 JBTRNOADNNYQDS-STQMWFEESA-N 308.426 1.509 10 10 DDCE C[C@H]1CNC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 843126802 WMPNZQXNKQLUBE-UKRRQHHQSA-N 307.413 1.750 10 10 DDCE C[C@H](Cc1cnn(C)c1)NC(=O)NCc1c(O)cccc1F 922747127 CQXFDOPABSYPGN-SNVBAGLBSA-N 306.341 1.695 10 10 DDCE CCn1nnc(C)c1CN[C@@H]1CCN(c2ccc(OC)cc2)C1 850347346 QPJLPGFCQKACQO-CQSZACIVSA-N 315.421 1.984 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)[C@H]2CCNC2=O)c([N+](=O)[O-])c1 758284458 GFEDOCJSKCIOCH-RNZFLTOJSA-N 319.317 1.106 10 10 DDCE COC(=O)C(C)(C)N1CCN(Cc2cccc(OC)c2O)CC1 779190319 GKZWUXMCENYUAY-UHFFFAOYSA-N 322.405 1.470 10 10 DDCE C[C@H]1CN(CCCNC(=O)Cc2ccc(O)c(O)c2)CCCO1 1138194948 GXFSPMPXEOSEIK-ZDUSSCGKSA-N 322.405 1.257 10 10 DDCE C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)N(C)C 895734497 JUUMABXKARHUJD-ZETCQYMHSA-N 308.359 1.519 10 10 DDCE C[C@@H](NC(=O)N1CC(CO)C1)c1ccc(N2CCOCC2)cc1 790250104 UTISRIQKFDEATH-CYBMUJFWSA-N 319.405 1.218 10 10 DDCE CCOC(=O)c1cnc(NCc2ccc(OC)cc2O)cn1 795289054 GGCPGNADEPVVAL-UHFFFAOYSA-N 303.318 1.980 10 10 DDCE O=C(CCc1ncccn1)NCc1ccc2cccnc2c1O 1142731214 PFZDNCGAAHIQAD-UHFFFAOYSA-N 308.341 1.979 10 10 DDCE C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1c(O)cccc1O 1156880816 CCUOMXMZTBKIPN-SECBINFHSA-N 304.302 1.126 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2cncn2C)cc1C 1265796562 ILRSBPZREBXZDD-CYBMUJFWSA-N 316.405 1.645 10 10 DDCE COC(=O)c1ccccc1CC(=O)NCc1ccc(O)cc1O 1451763223 ADXBDRPWMICFSV-UHFFFAOYSA-N 315.325 1.743 10 10 DDCE CN(C)[C@@H]1COC[C@H]1NCc1cc(Br)ccc1O 1921750325 RTWBPTSKWCJTAN-VXGBXAGGSA-N 315.211 1.573 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@H]1CCN(CC(F)(F)F)C1 1635847388 NGXRWNXALJGGCO-VIFPVBQESA-N 318.295 1.598 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cnncc1O 1630180219 LOIQIRAUMDJYST-GFCCVEGCSA-N 314.389 1.918 10 10 DDCE CS[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 235163959 SSNFMCHDCFFYDY-STQMWFEESA-N 300.449 1.972 10 10 DDCE CN(C)C(=O)C1(NCc2cccc(Br)c2O)CC1 840957029 HPJVSRAKFMUOLT-UHFFFAOYSA-N 313.195 1.865 10 10 DDCE Cn1ncc(C(=O)N2CC(N=[N+]=[N-])C2)c1NC(=O)OC(C)(C)C 1985094970 WWMMHQZIVTWRBY-UHFFFAOYSA-N 321.341 1.902 10 10 DDCE NC(=O)[C@H]1CC[C@@H](NCc2cc(Br)ccc2O)C1 2029526645 UKJRNGQTEWSOQF-GZMMTYOYSA-N 313.195 1.898 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H](O)[C@@H](O)CO1 2062954626 UJONFSJBGRIJAQ-OLZOCXBDSA-N 322.386 1.265 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@H]3CCO[C@@H](C)C3)c2n1 2063416036 WSBZCPMATJPKLQ-QWRGUYRKSA-N 304.350 1.288 10 10 DDCE CCn1ccc(CN(C)C(=O)c2cnn3c(O)cc(C)nc23)c1 2064080333 RFULCIPNANPUKB-UHFFFAOYSA-N 313.361 1.837 10 10 DDCE CCN(CCS(C)(=O)=O)c1c(F)cc([C@H](C)O)cc1F 2194514059 ZEMKXACNLOPXND-VIFPVBQESA-N 307.362 1.889 10 10 DDCE C[C@@H](O)c1cc(F)c(N(C)[C@H]2CCS(=O)(=O)C2)c(F)c1 2194507321 BECCJKOJCZMSLR-SCZZXKLOSA-N 305.346 1.641 10 10 DDCE c1nc2nnc(Sc3ncc(CNC4CCC4)s3)n2[nH]1 2239986781 DFLLQCVAGOQPMB-UHFFFAOYSA-N 307.408 1.702 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](CCF)C(=O)O)s1 2269136478 YWVDQAYHPAEYFY-SSDOTTSWSA-N 307.372 1.477 10 10 DDCE COc1cc(OC)c(N2CCO[C@@H]([C@H](C)N)C2)cc1Cl 2285857293 QFHDWIOSVWRVKX-LKFCYVNXSA-N 300.786 1.910 10 10 DDCE O=C(NC1CC1)[C@@H]1CCCN1C(=O)C=Cc1ccc(O)c(O)c1 2307986340 PDYGPIABIIQYFY-ZDUSSCGKSA-N 316.357 1.381 10 10 DDCE Cc1ccc(CN[C@H](CO)CN(C)C)c(O)c1Br 2327630008 HJBFSAPYLMSCNF-NSHDSACASA-N 317.227 1.475 10 10 DDCE COC(=O)CC(=O)NCc1ccc(C)c(Br)c1O 2327800216 HTEDNXBIHKQMCH-UHFFFAOYSA-N 316.151 1.642 10 10 DDCE Oc1cc2c(cc1CN1CC[C@@H](N3CCOCC3)C1)CCC2 172959734 BGRINRNDTWELDP-QGZVFWFLSA-N 302.418 1.787 10 10 DDCE Cc1ccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c(O)c1O 182969581 SEKJJKSKRLGQGI-NSHDSACASA-N 302.334 1.892 10 10 DDCE CCOc1cccc(C(=O)NCCN2C(=O)CSC2=S)c1 71500742 MHKZQKXBXYHXGY-UHFFFAOYSA-N 324.427 1.675 10 10 DDCE CCc1nc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c[nH]1 70418517 VMVRPICFVNVMJB-UHFFFAOYSA-N 311.319 1.177 10 10 DDCE Cc1nc(C[C@H]2CCCN(C(=O)c3cccc(O)c3O)C2)no1 193018810 JYVRTTPAHIVZSJ-LLVKDONJSA-N 317.345 1.884 10 10 DDCE NC[C@@H](N)c1cc(Br)c(Br)cc1O 238605926 LAITYJAADFLZEU-SSDOTTSWSA-N 309.989 1.876 10 10 DDCE CNCc1ccc(N2CC[C@H](C(N)=O)C2)cc1Br 234375309 ADPGPVJDOSEAFD-JTQLQIEISA-N 312.211 1.480 10 10 DDCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)NC[C@H]1CCCN1 255623147 XHKAJKMGRGQVHN-KQQSKNTNSA-N 315.417 1.405 10 10 DDCE Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)c(O)c1O 370358963 KMRBLFAIGQOGEK-YPMHNXCESA-N 318.373 1.537 10 10 DDCE COc1cc(O)c(CNCC[C@H](O)C(F)(F)F)cc1OC 809742638 BTUCRRLWFQZRQS-LBPRGKRZSA-N 309.284 1.812 10 10 DDCE OCC[C@@H]1COCCN1Cc1ccc(N2CCOCC2)cc1 809765314 MMUVDGHAQLPMGH-QGZVFWFLSA-N 306.406 1.106 10 10 DDCE CCS(=O)(=O)CCN(C)c1cc(OC)c(OC)cc1N 2170440186 FYZNABPPTKEHRK-UHFFFAOYSA-N 302.396 1.157 10 10 DDCE CC[C@](NC(=O)/C=C\c1ccc(O)c(O)c1)(C(N)=O)C(C)C 588420932 AWXRSRLEZYTJIF-QKIRZYONSA-N 306.362 1.517 10 10 DDCE C[C@H](CN1CCCC1=O)NC(=O)NCc1c(O)cccc1F 914275700 CVIPAIKVXGQMSJ-SNVBAGLBSA-N 309.341 1.341 10 10 DDCE CCCC(=O)NCC(=O)N(C)CCN(C)c1ccc(OC)cc1 846447700 VWYAGCZYPUMIAX-UHFFFAOYSA-N 321.421 1.506 10 10 DDCE COc1ccc(N2CCCN(C(=O)NC/C=C\CN)CC2)cc1 841998191 WEDLIDMGBVWGIK-IHWYPQMZSA-N 318.421 1.432 10 10 DDCE CC(=O)N1CCN(c2ccc(CNC(=O)C3(F)CC3)cc2)CC1 843584122 UEBZTSKBGSEGFH-UHFFFAOYSA-N 319.380 1.473 10 10 DDCE COC[C@@H](NC(=O)NCc1c(O)cccc1F)[C@@H]1CCCO1 922253490 JKCRDEIKWIHTIQ-OCCSQVGLSA-N 312.341 1.525 10 10 DDCE COC[C@@H](CN1CCN(c2ccc(OC)c(F)c2)CC1)OC 851806808 AEJQKLIWTLMDFA-CQSZACIVSA-N 312.385 1.618 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@]34CCOC4)C2)cc1 855225990 MMPTTXBCVILHBL-XCRHUMRWSA-N 316.401 1.817 10 10 DDCE NC(=O)c1cncc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 773254139 JHHKNFNUEAOICG-UHFFFAOYSA-N 315.764 1.918 10 10 DDCE COC(=O)[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]2C[C@H]21 886410227 FWGGAADOJFSAKL-GHBPBYKCSA-N 317.341 1.425 10 10 DDCE Oc1ccc(Br)cc1CN[C@H]1COCC[C@H]1O 710923066 POTHCNZOBJZGFA-CMPLNLGQSA-N 302.168 1.394 10 10 DDCE C[C@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1O 797117816 NGUZKBCDRNVEGH-STQMWFEESA-N 312.435 1.857 10 10 DDCE Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(O)ccc1O 1153885346 LUCPHNFMWNFEPV-UHFFFAOYSA-N 303.274 1.518 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@H](O)CCc1ccccc1 1178910553 FXIBTJZDSPRUBG-MRXNPFEDSA-N 301.342 1.708 10 10 DDCE COC(=O)C1(NCc2ccc(Br)cc2O)CC1 2248232754 IPCNONLBBUDTRM-UHFFFAOYSA-N 300.152 1.950 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cc([C@H]2CCCO2)[nH]n1 1299948000 PEZJKXXBZRSZTB-CYBMUJFWSA-N 303.318 1.854 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(Br)c1 2136601839 BVWLEIJKGNDZBJ-UFAOYGAJSA-N 324.222 1.636 10 10 DDCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ncc[nH]1 1466398214 KGZWFZDSHFUBOQ-UHFFFAOYSA-N 323.736 1.584 10 10 DDCE C[C@H](NC(=O)CSc1cccc[n+]1[O-])c1ccccc1O 1471194620 MTMWBVPEKLKYIJ-NSHDSACASA-N 304.371 1.995 10 10 DDCE O=C(CSc1cccc[n+]1[O-])NCc1cc(O)ccc1O 1637122427 GRHGGZSJJRPNTJ-UHFFFAOYSA-N 306.343 1.140 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cccc2ncnc(O)c12 1647290153 NNRHJKWFVNGEBC-UHFFFAOYSA-N 311.297 1.677 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN2C(C)=O)c1 157858237 GDLLSSCJEKDPDM-YGRLFVJLSA-N 306.362 1.589 10 10 DDCE CN(C)c1ccc(/C=c2\sc3nc(C4CC4)nn3c2=O)cc1 1860789231 VJJQMRTUEJNXAG-LCYFTJDESA-N 312.398 1.642 10 10 DDCE NC(=O)N1CC(CNCc2cccc(Br)c2O)C1 1875454879 AXWPIXHPIUHYPE-UHFFFAOYSA-N 314.183 1.255 10 10 DDCE O=C1C[C@H](CNCc2cccc(Br)c2O)CCN1 1969109959 NEKMHTLTSUKGFI-SECBINFHSA-N 313.195 1.771 10 10 DDCE CNC(=O)OCCCNCc1cc(Cl)cc(OC)c1O 1973893479 MYNHBBKFKSZQOY-UHFFFAOYSA-N 302.758 1.890 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC(F)(F)C(F)(F)C2)cc1 313267103 YTRXZYXUFCJZHN-UHFFFAOYSA-N 312.288 1.685 10 10 DDCE CS(=O)(=O)N1CCC[C@H](NCc2c(O)cccc2F)C1 2160778819 WHKWDEIHGIGDMC-JTQLQIEISA-N 302.371 1.045 10 10 DDCE COc1cc(Cl)cc(CNC[C@@H]2COCCN2C)c1O 704198360 UVFYSGDCTJYGAP-GFCCVEGCSA-N 300.786 1.474 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@H](O)[C@@H](O)C2)c(Br)c1 2068367901 AHYWVRCTGSPSOH-JCOFBHIZSA-N 315.211 1.401 10 10 DDCE CC(C)(C)OC(=O)N1CCCCC[C@H]1COc1nnc(=N)[nH]n1 2210649877 NKYJEGYXXRCFTP-JTQLQIEISA-N 324.385 1.238 10 10 DDCE CCN[C@](CSc1nccs1)(C(N)=O)C1CCOCC1 2208158298 YHNAJCMWABUOMI-ZDUSSCGKSA-N 315.464 1.495 10 10 DDCE COc1ccc(Br)c(CNO[C@H]2CCOC2)c1O 2220457944 YVXVHRDWWHPYHQ-QMMMGPOBSA-N 318.167 1.973 10 10 DDCE CN[C@H]1CC[C@@H]1CS(=O)(=O)NCc1cnc(SC)s1 2269097334 CJTYNZARBOMSQY-SCZZXKLOSA-N 321.493 1.282 10 10 DDCE COc1cc(OC)c(N(C[C@H](C)O)C[C@H](C)O)cc1Cl 2285868803 DQUACFIGDAMELP-UWVGGRQHSA-N 303.786 1.925 10 10 DDCE COc1cc(OC)c(N2CC[C@H](O)[C@@H](O)CC2)cc1Cl 2285856146 KLSJDNGYFRJOQV-RYUDHWBXSA-N 301.770 1.679 10 10 DDCE O=S1(=O)CC[C@H]2CN(Cc3cc(Cl)ccc3O)C[C@H]21 377694122 KQDFHKBGENNALT-TVQRCGJNSA-N 301.795 1.665 10 10 DDCE Cc1ccc(CN[C@@H]2C[C@@H](O)C[C@@H]2O)c(O)c1Br 2327800053 FIEMYYWXMXGIQA-MXWKQRLJSA-N 316.195 1.437 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1Cl 2336350066 PHJYBDDLSGMCGT-IGJMFERPSA-N 300.811 1.593 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCN(CCO)[C@H](C)C2)c1O 187730661 ZRAXJADNZFRZLQ-LLVKDONJSA-N 310.369 1.232 10 10 DDCE CC[C@@H](CO)NC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 185199800 YBWBHJDGIFZFCV-NSHDSACASA-N 323.348 1.963 10 10 DDCE C[C@@H](NC1CCN(S(C)(=O)=O)CC1)c1cc(O)ccc1O 36828377 UTOPUZBFBHSYKD-SNVBAGLBSA-N 314.407 1.172 10 10 DDCE COc1ccc(O)c(CNC(=O)c2cccc(-n3ccnc3)n2)c1 181220669 WLEWGQAENYPCIX-UHFFFAOYSA-N 324.340 1.912 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1O)C(=O)O 33861536 UCDCYWDGMRPJPC-MRVPVSSYSA-N 313.306 1.324 10 10 DDCE C[C@H](O)C[C@@H]1CCCN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 133148110 VFHQCCFPEGXWCM-UWVGGRQHSA-N 321.333 1.665 10 10 DDCE CCOC(=O)[C@@H]1C[C@]1(N)c1c(O)cccc1Br 1952859930 QEFBPWZHDBCDCN-JVXZTZIISA-N 300.152 1.892 10 10 DDCE C[C@H]1[C@@H](O)CCCN1CC(=O)NCc1ccc(N(C)C)cc1 298098321 IRRWWJPYKBYJJA-BBRMVZONSA-N 305.422 1.214 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 808502636 NIWHEQMPQBIEDN-QWRGUYRKSA-N 320.345 1.010 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@@H]2CCCS2(=O)=O)cc1 835041879 OUBLPCAJWXBJID-IMMZDGJCSA-N 308.447 1.933 10 10 DDCE CCc1cc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)n[nH]1 832300244 PVPQJKCOGBLFGP-AWEZNQCLSA-N 301.394 1.468 10 10 DDCE COC(=O)c1cc(OC[C@H]2CCC3(COC3)O2)ccc1N(C)C 918652452 XJBYPGNEKIDWRU-CYBMUJFWSA-N 321.373 1.866 10 10 DDCE NCCCNC(=O)NCc1cccc(Br)c1O 841931410 BRMYPYALKGPCGG-UHFFFAOYSA-N 302.172 1.303 10 10 DDCE COc1ccc(O)c([C@@H](C)NS(=O)(=O)[C@H]2CCCNC2)c1 923615415 KOZXQNKNMLUYRF-PWSUYJOCSA-N 314.407 1.133 10 10 DDCE O=C1C[C@@H](CCNC(=O)NCc2cc(Cl)ccc2O)CN1 926993347 LLACQFCZYWGZGH-SECBINFHSA-N 311.769 1.371 10 10 DDCE COC(=O)C1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 855228008 TUUZTKFJEBMZBX-LBPRGKRZSA-N 318.373 1.343 10 10 DDCE C[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ncnn21 855329034 ZIPZIPBOTNVTLM-DREQKGALSA-N 300.318 1.525 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C3=CCOCC3)C2)cc1 855224614 GJRPFDXRTJCZIF-CQSZACIVSA-N 302.374 1.737 10 10 DDCE Oc1cc2c(cc1CN1CCOC[C@@H]1C(F)(F)F)[C@@H](O)CO2 768444630 AUWXCCVNTJQWRF-WCQYABFASA-N 319.279 1.581 10 10 DDCE CCn1nccc1S(=O)(=O)NCc1ccc(N(C)C)cc1C 770247354 HJZKUEUGDDNWAS-UHFFFAOYSA-N 322.434 1.756 10 10 DDCE CC(=O)C(=O)CN1C(=O)N[C@@]2(CCSc3ccccc32)C1=O 871710500 OVIYBFOSXPCZDZ-OAHLLOKOSA-N 318.354 1.088 10 10 DDCE CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1=O 896528572 HYLAAGYPCBGBRB-UHFFFAOYSA-N 306.343 1.227 10 10 DDCE CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)CN1CCCC1 1139788513 SHDSFWARILTHGR-UHFFFAOYSA-N 306.406 1.879 10 10 DDCE CC(=O)c1cn(C2CN(Cc3ccc(N(C)C)cc3C)C2)nn1 897940454 MTUCLCHYNLLHGX-UHFFFAOYSA-N 313.405 1.912 10 10 DDCE C[C@@H](OCc1ccccc1)[C@@H](N)C(=O)NCc1ccccc1O 706070876 RMNIBDPLYQJPBC-CXAGYDPISA-N 314.385 1.941 10 10 DDCE C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)cc1O 1142533442 KNTZVTCQSNJXFU-SECBINFHSA-N 310.350 1.627 10 10 DDCE CC(C)(C)CC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(N)=O 1155938420 LAHCKJUCJFPWEI-SMYYYNMVSA-N 320.389 1.907 10 10 DDCE O=C1COc2c(cccc2NC(=O)Cc2ccc(O)c(O)c2)N1 1160718425 RREHUOJRXLLGMH-UHFFFAOYSA-N 314.297 1.610 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc(N2CCCC2)nn1 1635847150 IPLCVIYURHMSGD-UHFFFAOYSA-N 314.345 1.418 10 10 DDCE CC(=O)N[C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1337264702 NNFHGLYCTUNLAI-VIFPVBQESA-N 305.338 1.446 10 10 DDCE O=C(C(=O)N1CCC[C@@H](CCF)C1)N1Cc2cccc(O)c2C1 1335637299 WATJQDPQVFKOBW-LBPRGKRZSA-N 320.364 1.833 10 10 DDCE CC(C)(O)[C@H](O)CN(Cc1ccccc1O)C[C@H]1CCCO1 1616179862 IYCQHIAAMAKCMQ-GDBMZVCRSA-N 309.406 1.505 10 10 DDCE COCCCN[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1714308272 DICSUEKMPVZEFS-LLVKDONJSA-N 321.381 1.593 10 10 DDCE CN(C)[C@@]1(CNC(=O)Cc2ccc(O)c(O)c2)CCSC1 1629291288 BRGSJAMRUBBMSU-OAHLLOKOSA-N 310.419 1.194 10 10 DDCE CCOC(=O)NCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1628951672 ZCSZGFYUBREUGM-UHFFFAOYSA-N 319.405 1.991 10 10 DDCE COC(=O)c1ncnc(NCc2c(O)cccc2O)c1OC 1559288024 MWZDNRDVEIWGIW-UHFFFAOYSA-N 305.290 1.295 10 10 DDCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@]2(CCOC2)O1 1634917046 GNECZLVVSCYWDC-MEDUHNTESA-N 307.346 1.047 10 10 DDCE C[C@@H](OCc1ccncc1)C(=O)NCc1c(O)cccc1O 1647290826 UIWAZEXWDSQCTL-LLVKDONJSA-N 302.330 1.714 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc(-n2cccn2)nc1 1652623684 ZPLKORLEAGIGJQ-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc(N2CCCC2)nn1 1651222627 KZZLHNHGEYLYMO-UHFFFAOYSA-N 314.345 1.418 10 10 DDCE O=C(COc1cccc([N+](=O)[O-])c1)NCc1cc(O)ccc1O 1593873572 RYECJWVWRKXVJS-UHFFFAOYSA-N 318.285 1.701 10 10 DDCE CCOC(=O)CC[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 1772911400 ZDMUBODRIGUYGB-JYKYSHPRSA-N 307.346 1.959 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cnc3ccccn3c2=O)cc1 14899417 INZPSEXKVHAFBF-UHFFFAOYSA-N 322.368 1.691 10 10 DDCE NCc1ccc(N2CC[C@@H](O)[C@H](F)C2)c(Br)c1 1941016250 LJCDVYPYIDONGZ-ZYHUDNBSSA-N 303.175 1.817 10 10 DDCE CCOc1cccc(CNCCC(=O)NCCCN(C)C)c1O 1857859748 DRHYGZCKTOKXGV-UHFFFAOYSA-N 323.437 1.339 10 10 DDCE CO[C@H]1CN(Cc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C 1984386970 AMUAHDRVNZSLLC-CABCVRRESA-N 321.421 1.993 10 10 DDCE CN(C(=O)CS(=O)(=O)c1cccs1)c1ccc(N)cc1 35309109 UYKWMEPBXBLBGX-UHFFFAOYSA-N 310.400 1.767 10 10 DDCE COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=CN(C)C 2042436284 YJTWNVWNMDVKOD-UHFFFAOYSA-N 317.345 1.406 10 10 DDCE C[C@@H]1CN(S(=O)(=O)Nc2ccc(O)cc2Cl)C[C@@H](C)N1 2161241933 SOUIBASTZILXFH-RKDXNWHRSA-N 319.814 1.385 10 10 DDCE CS[C@H]1CC[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 702015606 JTPOTBXXINKISR-STQMWFEESA-N 316.448 1.461 10 10 DDCE COc1ccc(O)c(CNC(=O)[C@H]2CCc3nc(C)cn3C2)c1 2064477136 QFHACKYKHZZJAP-LBPRGKRZSA-N 315.373 1.785 10 10 DDCE C[C@@]1(O)CN(c2ccc(CO)c(Br)c2)CC[C@@H]1O 2081766125 MENTXVGZCJGDTJ-QWHCGFSZSA-N 316.195 1.263 10 10 DDCE Cn1nc(Br)c(CNCc2cccc(F)c2O)n1 2219795189 ZWVGFOLEYUEGQK-UHFFFAOYSA-N 315.146 1.712 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@@H]2[C@H](O)CO)c(Br)c1 2258342094 MONXRLAYWNBFKK-BZHVJNSISA-N 316.195 1.434 10 10 DDCE COC(C)(C)CS(=O)(=O)CC(=O)c1ccc(O)c(O)c1 2280294816 IGIGAUIPNBWIEB-UHFFFAOYSA-N 302.348 1.120 10 10 DDCE O=S(=O)(CCC(F)(F)F)NCCc1ccc(O)c(O)c1 1259874373 HNOKZVXKBUWVRX-UHFFFAOYSA-N 313.297 1.512 10 10 DDCE C[C@@H]1CCC[C@](CO)(NS(=O)(=O)Cc2ccc(N)cc2)C1 53113207 MXFWFVYWFPNKID-DOMZBBRYSA-N 312.435 1.629 10 10 DDCE O=C(c1cccc(O)c1O)N1CC[C@@H](Oc2cccnc2)C1 187191893 NTKCNONRLPEWAQ-GFCCVEGCSA-N 300.314 1.786 10 10 DDCE COC(=O)N1CC(N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 181461430 WVQNGXHFAYNGTC-ZDUSSCGKSA-N 319.405 1.624 10 10 DDCE CCC[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)C(=O)O 185033019 WTVRZFDRXHCDPC-CQSZACIVSA-N 307.394 1.212 10 10 DDCE C[C@H](N)c1ccc(N2CCN(C)C(=O)C2)c(Br)c1 84204775 XPTRWEWMCJYMQC-VIFPVBQESA-N 312.211 1.747 10 10 DDCE Nc1c(I)ccc(C2(N)CCC2)c1O 238580449 GEUKPVCAZNSYII-UHFFFAOYSA-N 304.131 1.917 10 10 DDCE COC(=O)/C=C/c1ccc(N2C[C@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 367416888 BTACCTPFGOHNCS-AYKMPCHXSA-N 318.329 1.864 10 10 DDCE O=C1C[C@H]([C@@H]2CCCCN2Cc2cc3c(cc2O)OCO3)CN1 361099192 BLWAISMSIJGESU-AAEUAGOBSA-N 318.373 1.612 10 10 DDCE CO[C@@H]1COCC[C@@H]1CC(=O)NCc1ccc(N(C)C)cc1 294611038 ZYSMHDJZYILFKQ-GDBMZVCRSA-N 306.406 1.810 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1cccc(N2CCCC2=O)c1 808542415 CFRHBIAOMWDPBV-UHFFFAOYSA-N 303.314 1.057 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 808531393 OVKNEMHCKYFZOM-SWLSCSKDSA-N 321.304 1.046 10 10 DDCE C[C@@H]1CC(O)C[C@@H](C)N1CC(=O)NCc1ccc(N(C)C)cc1 299351706 PFGYSIRTWIMBAI-ZIAGYGMSSA-N 319.449 1.603 10 10 DDCE CC(C)(C)OCCN1C(=O)CN(Cc2ccccc2O)C1=O 819169871 FEPMISRAUGZJJG-UHFFFAOYSA-N 306.362 1.972 10 10 DDCE O[C@@H](CNc1ccccc1OCC(F)F)CN1CCOCC1 819460093 DNEKYVJLNDNCPJ-LBPRGKRZSA-N 316.348 1.436 10 10 DDCE O=S(=O)(C[C@H]1CCCCN1)Nc1ccc(O)c(Cl)c1 722222291 CTQNABGCPMNMKC-SNVBAGLBSA-N 304.799 1.929 10 10 DDCE CCN(CC)c1ccc(CNS(=O)(=O)N(C)C2CC2)cc1 736327259 ZMTIKFUVHWMFRB-UHFFFAOYSA-N 311.451 1.961 10 10 DDCE COCc1ccc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)o1 832292181 CDLYXYANRODLSX-OAHLLOKOSA-N 317.389 1.922 10 10 DDCE CN(C)c1ccc(/C=C\CN2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 835057728 YJOHVQIXXNDCLF-QCDWVSHVSA-N 315.417 1.355 10 10 DDCE C[C@@H](O)[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CCO1 840978007 ONXOAQKHUFEIMB-PRHODGIISA-N 316.741 1.535 10 10 DDCE Nc1ccc(Cc2noc([C@]34C[C@H]5C[C@@H](C(=O)N3)[C@H]4C5)n2)cc1 844905846 HWQGECOCCOBICO-BMGIQWSVSA-N 310.357 1.614 10 10 DDCE NC(=O)[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 844886787 AHQUHBDXIQXFGI-OKILXGFUSA-N 316.405 1.350 10 10 DDCE C[C@H](NC[C@H](O)CS(C)(=O)=O)c1ccc2ccccc2c1O 927024431 KIKXSCJDBZRANJ-AAEUAGOBSA-N 323.414 1.602 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CCOC[C@H]3C)C2)cc1 852451509 MHJJKVAIAZOZAJ-ZIAGYGMSSA-N 319.405 1.704 10 10 DDCE COC[C@@H](C)OC[C@H](O)CN1CCCc2cc(CN)ccc21 923285875 GZLVHFSEWWFPPZ-CZUORRHYSA-N 308.422 1.310 10 10 DDCE O=C(CCC(=O)NC1CCCC1)NCc1c(O)cccc1F 928706276 UGTGRBUAWYRKGK-UHFFFAOYSA-N 308.353 1.987 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N=c3cc[nH]cc3)C2)cc1 853817868 PHUYQURFLQCTAF-AWEZNQCLSA-N 312.373 1.913 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CCC[C@@H](O)C3)C2)cc1 854297309 PGACXISWFXUEHY-UKRRQHHQSA-N 319.405 1.440 10 10 DDCE C[C@H](N[C@H]1CCNC1=O)c1cc(Br)c(F)cc1O 850481603 MLXZXBWFEWSLOC-WKEGUHRASA-N 317.158 1.833 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H](O)C[C@@H](O)C1 755442605 VMMIVYWPKCTPFZ-BETUJISGSA-N 320.414 1.723 10 10 DDCE O=C1OC[C@]2(CNCc3cc(Cl)ccc3O)COCCN12 865768445 JBRVJEDUPAQLGV-AWEZNQCLSA-N 312.753 1.356 10 10 DDCE O=C(NCc1ccc(N2CCCCC2)cc1)[C@H](O)c1cnc[nH]1 865031896 UVICFLLNQRQPJQ-MRXNPFEDSA-N 314.389 1.750 10 10 DDCE C/C=C\CNC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 863582679 QZWVGMFGKJDHFZ-LIMHQNJXSA-N 319.449 1.344 10 10 DDCE CC(=O)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H](C)C1 779535450 XGKCCQIAJQTPTC-QZPNVGJNSA-N 304.346 1.190 10 10 DDCE CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)C(C1CC1)C1CC1 1119004332 SLEZMLHEOGTFAC-UHFFFAOYSA-N 314.385 1.881 10 10 DDCE O=C(O)[C@H](C[C@H]1CCCOC1)NCc1ccc2c(c1)CCO2 1119602179 KRANTNMWCLMYSY-HIFRSBDPSA-N 305.374 1.981 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCn3nnc(CO)c3C2)cc1 894810576 RAGNVOSGRZDKPQ-ARJAWSKDSA-N 313.405 1.365 10 10 DDCE C[C@H](N)c1ccc(N(C)C[C@@H]2CCCS2(=O)=O)c(F)c1 694121135 FZHIZBOQBQKWQE-JQWIXIFHSA-N 300.399 1.859 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)c2ccco2)cc1 1150099442 DJSCSRKHUGZFBI-NSHDSACASA-N 302.290 1.905 10 10 DDCE CN(C)Cc1ccc(C(=O)NCc2c(O)cccc2O)cn1 1178910354 CVAYWEJUAYHHBK-UHFFFAOYSA-N 301.346 1.484 10 10 DDCE COC(=O)[C@@H]1C[C@@H](O)CN1C/C=C\c1ccc(N(C)C)cc1 1325320744 WETVYMMCOYYAEI-MSNYOWOLSA-N 304.390 1.374 10 10 DDCE CCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@H](CN=[N+]=[N-])C1 1912200937 NMDYOEINDRMOOM-GRYCIOLGSA-N 302.400 1.211 10 10 DDCE COc1cccc2c1OC[C@@H](NC(=O)c1cccc(O)c1O)C2 1443309400 GMXXOTPAGVNAJB-NSHDSACASA-N 315.325 1.840 10 10 DDCE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CN(C)CCO1 1545547800 VEELLHOIEJNKTE-GXFFZTMASA-N 319.365 1.298 10 10 DDCE COc1ccnc(OC)c1C(=O)NCc1c(O)cccc1O 1472063592 NWQZECHHHHRVRR-UHFFFAOYSA-N 304.302 1.440 10 10 DDCE CSc1nc(O)nc(C)c1C(=O)NCc1ccc(O)cc1O 1557084864 QTJLHRZOHXBWCH-UHFFFAOYSA-N 321.358 1.554 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/C(=O)N(C)C 1626886107 YDFUXHIUQVJLDI-VAWYXSNFSA-N 303.406 1.746 10 10 DDCE Cc1noc(-c2ccc(NC(=O)C3=S=C(C=O)C=C3)cn2)n1 1627912914 KBFAUHONYMZYQN-UHFFFAOYSA-N 314.326 1.225 10 10 DDCE Cn1ccnc1[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CCO1 1556988414 KTKVHSHNGGPUHI-GWCFXTLKSA-N 317.345 1.481 10 10 DDCE C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1O 1639292882 UQUYHFMNSIGUTD-JTQLQIEISA-N 324.377 1.875 10 10 DDCE COc1cc(C(=O)N[C@@H](C)CNC(=O)C2(C)CC2)cc(OC)n1 1758780157 ASKVOVUMXOOOSH-JTQLQIEISA-N 321.377 1.133 10 10 DDCE O=S1(=O)CC[C@H]1CNCc1ccc(Br)cc1O 1945524394 OBQNSZHYKMHPDQ-JTQLQIEISA-N 320.208 1.431 10 10 DDCE CN(C[C@@H](O)C(=O)O)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977841710 ZDXIZGPVDKMZIM-CYBMUJFWSA-N 324.377 1.593 10 10 DDCE C[C@@H](c1ccc(F)cc1O)N(C)CCN(C)S(C)(=O)=O 2146943654 NVGBWAIMYOUBDZ-JTQLQIEISA-N 304.387 1.416 10 10 DDCE CN(c1ccc(CN)c(F)c1F)[C@@H]1CS(=O)(=O)C1(C)C 2153845321 LCQCWAIWQZZUCY-SNVBAGLBSA-N 304.362 1.435 10 10 DDCE Cn1cc([C@@H](O)[C@H](N)c2ccccc2O)c(Br)n1 2031155302 VWMGUWVSFPQWNI-GHMZBOCLSA-N 312.167 1.622 10 10 DDCE COC[C@]1(O)CCN(c2ccc(CN)cc2Br)C1 2034419327 VBCHNLAVOTYBGO-ZDUSSCGKSA-N 315.211 1.495 10 10 DDCE CN1C(=O)C[C@@H](NCc2c(O)cccc2Br)C1=O 706852188 WDTPHHFCXYRDPT-SECBINFHSA-N 313.151 1.002 10 10 DDCE COc1cc(C=C2SC(=S)NC2=O)c([N+](=O)[O-])cc1O 2053512946 DGVGMCSFINPWJC-UHFFFAOYSA-N 312.328 1.798 10 10 DDCE O=C(NC1[C@H]2CN(Cc3ccccc3)C[C@H]12)c1ccc(O)c(O)c1 398265166 VVLHQGIBFSTUNJ-GJZGRUSLSA-N 324.380 1.958 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC34CCOCC4)c2n1 2062591454 IIIJAKUQEASLQZ-UHFFFAOYSA-N 302.334 1.138 10 10 DDCE CO[C@]1(C)C[C@@H](NC(=O)c2cnn3c(O)cc(C)nc23)C1(C)C 2064582638 XFALRLFIQBZTKG-BDJLRTHQSA-N 318.377 1.677 10 10 DDCE CN(CCN1CCOC1=O)c1cc(Cl)c(CN)cc1F 2177382697 DNYNNSLMOIGGBI-UHFFFAOYSA-N 301.749 1.826 10 10 DDCE CCOC(=O)c1cnc(Sc2cnn(C)c2C(=O)O)s1 2183126747 WILSXDFCAYCWTK-UHFFFAOYSA-N 313.360 1.903 10 10 DDCE CC[C@@]1(C)NC(=O)CCN(Cc2cnc(SC)s2)C1=O 2284668783 XVPSKHZLFQGVFA-CYBMUJFWSA-N 313.448 1.882 10 10 DDCE COc1ccc(N2CCN(C(=O)c3c[nH]nc3C)CC2)cc1 63510979 DJPIDMYIVRMKRY-UHFFFAOYSA-N 300.362 1.689 10 10 DDCE CCOCCOCC(=O)N1CCOc2cc(N(C)C)ccc21 173196481 QKTIBUNEWYHBCU-UHFFFAOYSA-N 308.378 1.531 10 10 DDCE Cc1ccc(C(=O)N2CCN(c3cccnn3)CC2)c(O)c1O 182286033 FUYPSFGIVVIQFS-UHFFFAOYSA-N 314.345 1.159 10 10 DDCE Cc1ccc(C(=O)NCC(=O)Nc2ccc(F)cc2)c(O)c1O 182257455 ORKHAQBNFAGFDE-UHFFFAOYSA-N 318.304 1.914 10 10 DDCE C[C@H]1OCC[C@@H]1S(=O)(=O)NCCCSc1nccs1 135642305 MDEZEAZLKXPCJA-ZJUUUORDSA-N 322.477 1.722 10 10 DDCE COc1cc(Cl)c(N2C[C@H](O)[C@@H](N(C)C)C2)c(OC)c1 2368117358 LOSUZJCWZNFMGG-RYUDHWBXSA-N 300.786 1.468 10 10 DDCE COC(C)(C)CCS(=O)(=O)NCc1ccc(N(C)C)cc1 195337009 VJFMFJTZYUQPOD-UHFFFAOYSA-N 314.451 1.987 10 10 DDCE CC(C)(C)OC(=O)NOCC[C@@H](N)Cc1ccc(O)c(O)c1 1952707966 YQUVQFPYDHURSC-LLVKDONJSA-N 312.366 1.814 10 10 DDCE CCOC(=O)CN1C(=O)/C(=C\c2cn(C)cn2)c2ccccc21 800794596 KSRHRCZFCROWFE-ZSOIEALJSA-N 311.341 1.870 10 10 DDCE CCOc1ccc(O)c(CN2CCN(C(=O)C3CC3)CC2)c1 728299334 GBTHMTQBNJECTB-UHFFFAOYSA-N 304.390 1.845 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNCC(O)(C2CC2)C2CC2)c1O 827359932 WQIGKWACOOUJJO-UHFFFAOYSA-N 322.361 1.950 10 10 DDCE Oc1cc2c(cc1CN1C[C@H](O)C[C@@H]1[C@H]1CCCOC1)OCO2 824653480 BSCXMPSHNNEIHR-IACUBPJLSA-N 321.373 1.483 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C34CCN(CC3)C4)C2)cc1 912293447 XDAGLZWGZUTVCQ-AWEZNQCLSA-N 315.417 1.486 10 10 DDCE COc1cccc([C@H](C)NC[C@@H]2CCCCN2CCO)c1O 846170473 OEZJWUNFJANIMH-KBPBESRZSA-N 308.422 1.898 10 10 DDCE CCn1cncc1S(=O)(=O)NCc1ccc(N(C)C)cc1 748685564 VWEHKLWGTZBODK-UHFFFAOYSA-N 308.407 1.448 10 10 DDCE COc1cccc(CNS(=O)(=O)[C@@H]2COC(C)(C)C2)c1O 859006695 SKBRAYPEKXPHNH-NSHDSACASA-N 315.391 1.388 10 10 DDCE C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1CN 923494534 YPMGPDVCMIGEQI-RDJZCZTQSA-N 303.450 1.940 10 10 DDCE CCn1nc(C)cc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 753636239 LFXXKPJGZWSBPC-JTQLQIEISA-N 303.362 1.984 10 10 DDCE CO[C@@H](CNC(=O)NCc1c(O)cccc1F)[C@@H]1CCOC1 923180026 IIBQLTSLHWLNMV-YGRLFVJLSA-N 312.341 1.382 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)[C@H]2COC(C)(C)C2)c1 859008791 RSOWFCSZJZBBJC-GFCCVEGCSA-N 315.391 1.388 10 10 DDCE Cc1oc(S(C)(=O)=O)cc1C(=O)N(C)Cc1ccccc1O 860048680 ZRVFNKFTQIKTLO-UHFFFAOYSA-N 323.370 1.969 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)[C@H](O)c1cnc[nH]1 868110349 ZYDDBADDVZMXPX-OAHLLOKOSA-N 303.362 1.978 10 10 DDCE O=C(c1cccc(O)c1O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 870789059 SAUIUESZPBYOKY-IONNQARKSA-N 305.252 1.341 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N(C)OCC(F)(F)F 1118838765 LAJGPCLPDNDRSB-UHFFFAOYSA-N 320.267 1.303 10 10 DDCE CN(Cc1ccccc1O)C(=O)C1CN(CC(F)(F)F)C1 776336570 SZXVNXGEMYILSG-UHFFFAOYSA-N 302.296 1.845 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2 889380692 YWADPRFTDLKTAN-JIEOEBJZSA-N 303.358 1.634 10 10 DDCE CCOC(=O)C[C@H](O)C(=O)NCc1ccc(N2CCCC2)cc1 773789687 OQFUQBQYLKSTAP-HNNXBMFYSA-N 320.389 1.217 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC(F)(F)C[C@@H]2CO)cc1 780185186 ZVWOZYCQTWQUEL-CYBMUJFWSA-N 313.348 1.664 10 10 DDCE Nc1ccc(Cn2ccnc2C[C@H]2CCS(=O)(=O)C2)cc1 82735527 AXSUIGISAMGVTG-CYBMUJFWSA-N 305.403 1.491 10 10 DDCE COC(=O)c1c(CN2CC(OC)C2)c2cc(F)ccc2n1C 894970672 KGTJACWOMLOXCP-UHFFFAOYSA-N 306.337 1.935 10 10 DDCE CNCc1ccc(N2CC(n3cncn3)C2)c(Br)c1 707677433 ULRIDUZLTWPBGG-UHFFFAOYSA-N 322.210 1.821 10 10 DDCE COc1ccc(N2CCN(C(=O)CN3[C@H](C)C[C@H]3C)CC2)cc1 791565100 FBFKLODKNQTWPK-HUUCEWRRSA-N 317.433 1.827 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(N)=O)cc1 1148396585 AVYQYUDMICIOCZ-NEPJUHHUSA-N 317.349 1.623 10 10 DDCE Cn1cc(C(=O)NCCc2ccc(N)cc2)c(Br)n1 2116551052 BPTHWAJTBOXMGI-UHFFFAOYSA-N 323.194 1.737 10 10 DDCE C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc(N)cc2)CS1 2132927238 HIYHAYBQKBMYPE-ZWNOBZJWSA-N 300.449 1.924 10 10 DDCE COc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3CN(C)C[C@@H]32)c(O)c1 1348310092 HHHPIUCXQYBWLQ-VHDGCEQUSA-N 319.405 1.540 10 10 DDCE CC(C)NC(=O)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1290262249 QLUANRHVNGSUFG-UHFFFAOYSA-N 305.338 1.446 10 10 DDCE CN(C)[C@@H]1CC[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)C[C@@H]2C1 1472349301 HMOWCZQYQDHXSN-QLFBSQMISA-N 318.417 1.829 10 10 DDCE COCCO[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1633119356 NNXRQWPZKWGHFT-CYBMUJFWSA-N 320.349 1.727 10 10 DDCE CNC(=S)NC1CCN(CCCOc2ccc(N)cc2)CC1 586053021 SDMOTUIJGXIXJG-UHFFFAOYSA-N 322.478 1.596 10 10 DDCE CSCCN(C)S(=O)(=O)CCOc1ccc(N)cc1 167096742 HUTZOZFHJQAKTK-UHFFFAOYSA-N 304.437 1.272 10 10 DDCE COc1cccc(CN(C)CCS(=O)(=O)C(C)C)c1O 1971966866 OOOMPFYZKOXMOQ-UHFFFAOYSA-N 301.408 1.656 10 10 DDCE C[C@@H](CS(=O)(=O)N(C)C)N[C@@H](C)c1ccc(O)cc1O 2151097384 DZSLJTRMDBFVAZ-UWVGGRQHSA-N 302.396 1.028 10 10 DDCE NCc1ccc(N2CC([C@@H](F)CO)C2)c(Br)c1 2001906818 ZLLCASJUFXWCDT-NSHDSACASA-N 303.175 1.674 10 10 DDCE COc1cccc(C=C2SC(N3CCOCC3)=NC2=O)c1 2038155027 ROBWKQLHJQDOPJ-UHFFFAOYSA-N 304.371 1.998 10 10 DDCE C[C@@H](O)c1ccc(N(C)[C@H]2COC[C@@H]2O)cc1Br 708719960 KGLMHMKYLYJNFW-JCOFBHIZSA-N 316.195 1.698 10 10 DDCE NC(=S)CN(CC(F)(F)F)C(=O)c1ccc(O)c(O)c1 2170574762 GIVQDMFSHGISJU-UHFFFAOYSA-N 308.281 1.388 10 10 DDCE Nc1ccc(Oc2nc(Cl)nc3c2S(=O)(=O)CC3)cc1 2185175306 WSBFIDDWNOXVDR-UHFFFAOYSA-N 311.750 1.834 10 10 DDCE Cn1c(Br)nnc1CCNCc1ccccc1O 2065500804 YYSZGXLRZHDGGL-UHFFFAOYSA-N 311.183 1.616 10 10 DDCE CC1(C)OC[C@@H](NCc2ccc(Br)cc2O)[C@@H]1O 2078735088 WPDOGGIRPRBGIR-PWSUYJOCSA-N 316.195 1.783 10 10 DDCE NC(=O)[C@H]1[C@H]2CN(c3ccc(CO)cc3Br)C[C@H]21 2081419498 WJYHBKJLFCWCMU-BZBKMWRSSA-N 311.179 1.109 10 10 DDCE CN1CCc2cc([C@@H](N)c3c(Br)nnn3C)ccc21 2098360191 AQMWKTRIPKLGRG-LLVKDONJSA-N 322.210 1.618 10 10 DDCE NCc1ccc(N2CC[C@H](O)[C@@H](O)CC2)cc1Br 2256976352 CJNUHPIZZFIRNY-STQMWFEESA-N 315.211 1.230 10 10 DDCE CSc1ncc(CN=c2[nH]c(=N)[nH]c(Cl)c2N)s1 2256959550 OZDVHGQIBZYEFU-UHFFFAOYSA-N 302.816 1.337 10 10 DDCE O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)C1=CNC1CC1 2296923509 MSGHAKBRTKQIHN-UHFFFAOYSA-N 305.721 1.559 10 10 DDCE Cc1ccc(CN(C)C(=O)[C@@H](C)O)c(O)c1Br 2307465016 BKYNKZYHAKNCFD-MRVPVSSYSA-N 302.168 1.802 10 10 DDCE C[C@H](NC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C(N)=O 175279350 KCZBFUBIJBKZAH-VIFPVBQESA-N 322.320 1.066 10 10 DDCE CC(=O)N(C(=O)C(=O)N[C@H]1CCCC[C@@H]1C)c1ccc(N)cc1 170318636 QPRHBTKBFSMYAM-NHYWBVRUSA-N 317.389 1.843 10 10 DDCE CCc1n[nH]c([C@@H]2CN(Cc3cc(OC)ccc3O)CCO2)n1 183415974 CZZAXMZAZYSHFA-AWEZNQCLSA-N 318.377 1.655 10 10 DDCE O=C(Nc1ccc(Br)nc1)c1cc(O)nc(O)c1 236596470 HMVFAJXNSINZNB-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE C[C@@H](NCCCOCCO)c1ccc(N2CCOCC2)cc1 180248464 JWFWNMIPRWJPEC-OAHLLOKOSA-N 308.422 1.573 10 10 DDCE CNCc1ccc(N2CC[C@@H](C(N)=O)C2)cc1Br 234371985 ADPGPVJDOSEAFD-SNVBAGLBSA-N 312.211 1.480 10 10 DDCE CO[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 363670156 GPEVVXPPZRIHLL-JTQLQIEISA-N 321.333 1.931 10 10 DDCE CCn1c([C@H]2COCCO2)nnc1N(C)Cc1ccccc1O 290988106 KRSCBAFKKMKIMN-CQSZACIVSA-N 318.377 1.728 10 10 DDCE COCCN1CCC[C@H]1CNC(=O)c1c(F)ccc(O)c1O 825708220 DRUSFIYWCVIOEF-JTQLQIEISA-N 312.341 1.078 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Nc3cnsn3)C2)cc1 823356954 SWVPHXWKZHNWGI-SNVBAGLBSA-N 319.390 1.947 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)CCc1cn(C)nn1 830145576 AQBBJWSKQPJSJE-UHFFFAOYSA-N 302.378 1.892 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CCCC(N)=O)C2)cc1 855231317 VJYWXWHKVUFSCP-LBPRGKRZSA-N 305.378 1.046 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)C(C)C)C2)cc1 854299891 LTKPBNUDJNCWHU-BBRMVZONSA-N 321.421 1.590 10 10 DDCE Cc1ccc(O)c(CNC(=O)C(=O)Nc2ncn(C(C)C)n2)c1 862025516 WZTFQIOYJCGXNK-UHFFFAOYSA-N 317.349 1.128 10 10 DDCE C/C(=C\C(=O)NCc1ccc(N(C)C)cc1)CN1CCOCC1 899983212 NWCQUZWHZVONEY-NTCAYCPXSA-N 317.433 1.647 10 10 DDCE Oc1cccc(Br)c1CN[C@H]1COCC[C@@H]1O 710910488 LJEJIWNZRKQNBM-JQWIXIFHSA-N 302.168 1.394 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1C(=O)Nc1ccc(N)cc1 90925529 GZZJNGYJGPWVPB-NSHDSACASA-N 315.420 1.220 10 10 DDCE O=S1(=O)CCC(CNCc2cccc(Cl)c2O)CC1 776251951 DSHJCNYJJYSQCH-UHFFFAOYSA-N 303.811 1.960 10 10 DDCE CC[C@@H](O)Cn1cc(C(=O)N[C@@H](C)c2ccccc2O)nn1 1171730091 JXSRPMYYIMRFAB-WDEREUQCSA-N 304.350 1.246 10 10 DDCE C[C@@H]1CN(c2ccc(CN)c(Br)c2)C2(CC2)C(=O)N1 2132025444 PBEHGAVAEGGFPA-SECBINFHSA-N 324.222 1.765 10 10 DDCE Cc1cc(CC(=O)OCc2nn[nH]n2)c(C)n1-c1ccccc1 1519442415 PUYXLXFAZQBSBO-UHFFFAOYSA-N 311.345 1.893 10 10 DDCE CC(C)(C)N1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)CC1=O 1545304612 NICRSPSYUBSUAB-LLVKDONJSA-N 306.362 1.156 10 10 DDCE O=C(COCc1ccnc(O)c1)NCc1cccc(Cl)c1O 1653567189 OUSICWJDXWVNAR-UHFFFAOYSA-N 322.748 1.979 10 10 DDCE C[C@H](N[C@H](C)c1ccccc1O)c1nc(-c2nc[nH]n2)no1 1654532185 JSEHWZXKDZUQLE-BDAKNGLRSA-N 300.322 1.972 10 10 DDCE CN1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc(O)c(O)c2)C1 1588289203 ARAYSCREYVMPOP-UONOGXRCSA-N 304.390 1.583 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCS[C@@H]2COCC[C@@H]21 1596068813 QHLNZWNDYSCIRX-SMDDNHRTSA-N 309.387 1.373 10 10 DDCE COc1ccc(CNC[C@H](C)CNC(=O)c2cn[nH]c2)cc1C 1666515442 RXXRQRGMPZEKLN-LBPRGKRZSA-N 316.405 1.882 10 10 DDCE COCCN(CCO)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 1772836424 MOGHJKBVDFPNLB-XQRVVYSFSA-N 324.333 1.226 10 10 DDCE CC(=O)C(=O)[C@]1(O)C[C@@H](CNC(=O)OC(C)(C)C)C12CCC2 1961917030 MEYJRTPSICSWDU-MEDUHNTESA-N 311.378 1.591 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1885563756 ZVPNMNCBHRYHRD-VIFPVBQESA-N 301.347 1.031 10 10 DDCE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)NCCN=[N+]=[N-] 1885563095 OZVBBCRCJCKTEZ-QMMMGPOBSA-N 301.347 1.077 10 10 DDCE CC(=O)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C 1951831595 AKTAUAAOACIMOM-CYBMUJFWSA-N 307.346 1.986 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2ccc(N)cc2)CO1 1977697075 SIGPLNALYGNQKJ-GFCCVEGCSA-N 322.365 1.941 10 10 DDCE COC(=O)[C@H](CNC(=O)OC(C)(C)C)N(C)c1ccc(N)cc1 1977776534 JTMRQHXIJQTXMU-ZDUSSCGKSA-N 323.393 1.771 10 10 DDCE C[C@@H]1C[S@@](=O)CCN1c1ccc(CO)c(Br)c1 2004529378 HQUPYJMLVYECKH-XLFHBGCDSA-N 318.236 1.899 10 10 DDCE CCSCCCNS(=O)(=O)CCOc1ccc(N)cc1 312401370 MFWNAJJFFUMSIV-UHFFFAOYSA-N 318.464 1.710 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCC[C@@]3(C)CC3(F)F)c2n1 2065107917 BNSILQWYBVONBB-ZDUSSCGKSA-N 310.304 1.909 10 10 DDCE Oc1ccc(-n2ncnc2I)cc1O 2070004201 RWICYHNCCVJIGP-UHFFFAOYSA-N 303.059 1.283 10 10 DDCE NC(=O)[C@@H]1[C@H]2CN(c3ccc(CO)cc3Br)C[C@H]21 2081419499 WJYHBKJLFCWCMU-GDGBQDQQSA-N 311.179 1.109 10 10 DDCE C[C@H](NCCCS(=O)(=O)C(F)F)c1cc(O)ccc1O 2237643183 GKNQUUXBJRRSCA-QMMMGPOBSA-N 309.334 1.776 10 10 DDCE O=C(O[C@H]1CCN(Cc2ccccc2)C1)c1cc(O)nc(O)c1 2244812056 WJOQLYKSIMLRKQ-AWEZNQCLSA-N 314.341 1.924 10 10 DDCE CSc1ncc(CNC(=O)N2CC([C@H](F)C(=O)O)C2)s1 2284509359 VSOPODNVQFIZDK-QMMMGPOBSA-N 319.383 1.429 10 10 DDCE CN1C(=O)NC(=O)C(=C(O)C=Cc2ccc(N(C)C)cc2)C1=O 2296559524 MJDFKYGNRWUZLC-UHFFFAOYSA-N 315.329 1.286 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)c1c(Br)ncn1C 2300525081 AVFROTJGQPRCOO-UHFFFAOYSA-N 301.148 1.955 10 10 DDCE C[C@@H](NCc1cc(Br)ccc1O)C(=O)N(C)C 227437476 QVZDIBBNPWHGIP-MRVPVSSYSA-N 301.184 1.721 10 10 DDCE C[C@@H](CCC(=O)C(=O)C[C@H]1C[C@H](N)C1)NC(=O)OC(C)(C)C 1893863869 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CN(C)c1ccc(CNC[C@@]23COCCN2C(=O)OC3)cc1F 865769319 HXMHWNLLMVXNSJ-INIZCTEOSA-N 323.368 1.203 10 10 DDCE O=C(Cn1cnc2c1CCCC2)NCc1ccc(O)c(O)c1 778923402 PYKRNEOIANGLGM-UHFFFAOYSA-N 301.346 1.490 10 10 DDCE Oc1cc2c(cc1CNC[C@@H](O)Cc1ccc(F)cc1)OCO2 886239286 SZVOTIJEPAHETK-AWEZNQCLSA-N 319.332 1.953 10 10 DDCE CC(=O)c1cn(C2CN(Cc3cc(Cl)ccc3O)C2)nn1 897937316 MTFVSTRETKJCLR-UHFFFAOYSA-N 306.753 1.897 10 10 DDCE CCCNCc1ccc(N(C)CCS(C)(=O)=O)c(F)c1 94299177 MJPDXZDTSJFZTI-UHFFFAOYSA-N 302.415 1.806 10 10 DDCE C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ccc(N)cc2)CS1 2132927237 HIYHAYBQKBMYPE-MFKMUULPSA-N 300.449 1.924 10 10 DDCE COc1ccccc1NCC(=O)NCc1ccc(O)cc1O 1299573249 IYZQUMJQJYQFBJ-UHFFFAOYSA-N 302.330 1.835 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)c1cccn2nnnc12 1452934651 CDHFKIPOTFRNPX-UHFFFAOYSA-N 303.709 1.413 10 10 DDCE COC(=O)[C@@H]1CCC[C@H](C(=O)NCc2cc(O)ccc2O)C1 1455356192 HNOKJXBQCDMSPC-WDEREUQCSA-N 307.346 1.693 10 10 DDCE CCOC(=O)N1CCC[C@H](C(=O)NCc2cc(O)ccc2O)C1 1455349253 QACNZRIJRZPKJH-NSHDSACASA-N 322.361 1.583 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@](O)([C@H](N)c2ccccc2O)C1 1921861001 IBMBIQUGVICRJC-CJNGLKHVSA-N 308.378 1.764 10 10 DDCE CCOc1cc(CNCCCO)ccc1N(C)CCC(=O)O 212034222 VIKJLNMEEAHXEK-UHFFFAOYSA-N 310.394 1.468 10 10 DDCE O=C(NCc1ccnc(-n2cncn2)c1)c1cccc(O)c1O 1471099522 VOXHOGRQUIUQJP-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE CON1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1639372048 VROQSGDJYNTURB-UHFFFAOYSA-N 305.338 1.605 10 10 DDCE COc1ccc(O)c([C@H](C)NCc2cn(C)nc2[N+](=O)[O-])c1 1653960672 GDMQXDFSSXBCOJ-VIFPVBQESA-N 306.322 1.893 10 10 DDCE CC[C@H](CS(C)(=O)=O)NCc1cc2c(cc1O)OCO2 1967831180 VZYMMYRMFZYEGK-SNVBAGLBSA-N 301.364 1.034 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)[C@H]1C[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1982384640 IQEQOBYKZIEASR-NWBUJAPZSA-N 324.421 1.801 10 10 DDCE COc1cc(Cl)cc(CNC[C@@H]2COCCCO2)c1O 2153988082 LMSKITOANUYKBW-GFCCVEGCSA-N 301.770 1.949 10 10 DDCE CS[C@@H]1CN(c2ccc(CN)c(F)c2F)C[C@@H]1N(C)C 2170716912 KYTDPMDWBSLPPH-NWDGAFQWSA-N 301.406 1.905 10 10 DDCE Oc1cccc(Br)c1CNCCCc1nc[nH]n1 706828552 GZTBLBPOUGVEFA-UHFFFAOYSA-N 311.183 1.995 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2CCOC[C@H]2OC)c1O 380464557 PUDHQBJRGKNRAX-WCQYABFASA-N 301.770 1.948 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(O)cc2O)CO1 722503206 SAARPKFPGIRDDN-NSHDSACASA-N 310.350 1.738 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@H](C)C(N)=O)c(Br)c1 723188263 DZZKPKAEJSTBFY-JGVFFNPUSA-N 300.200 1.779 10 10 DDCE COc1cccc(O)c1[C@@H](C)n1cc(C(=O)N(C)C)c(O)n1 2070591482 SLGXBWUWIURTMM-SECBINFHSA-N 305.334 1.614 10 10 DDCE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1c(F)cc(CO)cc1F 2170657794 SAZQEVIKRTZMLF-IUCAKERBSA-N 307.362 1.715 10 10 DDCE C[C@@H](O)c1cc(F)c(N(C)[C@H](C)CS(C)(=O)=O)c(F)c1 2194516668 JHSTWBXJVHWOSU-RKDXNWHRSA-N 307.362 1.887 10 10 DDCE Cn1nc(Br)c([C@H](O)[C@H](N)c2ccccc2O)n1 2048781336 PZKBKVFUULLQDA-PSASIEDQSA-N 313.155 1.017 10 10 DDCE CNCc1ccc(N2CCC2(CO)CO)cc1Br 2073923250 YPMQIGLSXUWNKU-UHFFFAOYSA-N 315.211 1.102 10 10 DDCE CCCS(=O)(=O)CCN(C)c1ccc(CN)c(OC)c1 2204557692 SMWHLPGMGHYGNU-UHFFFAOYSA-N 300.424 1.415 10 10 DDCE CS(=O)(=O)C1(CSc2ncc(C(=N)NO)s2)CC1 2264162550 QUGNAMHRPAFBRK-UHFFFAOYSA-N 307.422 1.117 10 10 DDCE COc1ccccc1C=C1SC(=S)N(CC(=O)O)C1=O 2293038800 DYVADXZZPLLUOX-UHFFFAOYSA-N 309.368 1.981 10 10 DDCE O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)C1=CNC1CC1 2296139005 JXBORXIDZGQQPZ-UHFFFAOYSA-N 319.361 1.205 10 10 DDCE COC(=O)[C@@H](C)NC(=O)C=Cc1ccc(N2CCOCC2)cc1 2299596973 BCVCHHYRIBKOLG-CYBMUJFWSA-N 318.373 1.214 10 10 DDCE C[C@@H](NS(=O)(=O)c1cnc(Cl)nc1)c1ccccc1O 1185062474 BDGRFEHLRGXGBE-MRVPVSSYSA-N 313.766 1.875 10 10 DDCE C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C=Cc1ccc(O)c(O)c1 2307986226 HMSPSHRQNWDPSH-CMPLNLGQSA-N 304.346 1.223 10 10 DDCE Cc1noc(CCNC(=O)NCc2ccc(N(C)C)cc2)n1 101601587 QXWGFUDXMNRGBW-UHFFFAOYSA-N 303.366 1.486 10 10 DDCE CCN1C(=O)NC(=O)/C(=C\NCc2ccccc2Cl)C1=O 104925118 QGKDPBOAZGXMQL-CSKARUKUSA-N 307.737 1.412 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@H]2CCN3CCCC[C@H]23)cc1 49563218 OBOKAETYOLRTRL-LSDHHAIUSA-N 309.435 1.315 10 10 DDCE CS(=O)(=O)CCCS(=O)(=O)CCCc1ccc(N)cc1 320158102 MNJDJVFHBIPOQJ-UHFFFAOYSA-N 319.448 1.051 10 10 DDCE O=S(=O)(C(F)F)[C@H]1CCN(Cc2ccc(F)cc2O)C1 2368504489 GKQMTIYWGXNMPP-JTQLQIEISA-N 309.309 1.743 10 10 DDCE CS(=O)(=O)Nc1ccc(O)cc1I 238372471 CWEGMPKXAHXSQD-UHFFFAOYSA-N 313.116 1.368 10 10 DDCE CC(=O)N(c1ccc(N)cc1)S(=O)(=O)c1c(C)noc1C 244017456 SOLSSCBFFPUGQF-UHFFFAOYSA-N 309.347 1.615 10 10 DDCE CC(=O)C(=O)COC(=O)COc1ccc(C(F)(F)F)cc1 808506075 ULWUEQJZRYLRGM-UHFFFAOYSA-N 304.220 1.786 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1c(C)nn(CC(F)(F)F)c1C 808532206 OCHDVYZFMPEZJV-UHFFFAOYSA-N 320.267 1.306 10 10 DDCE O=C(C[C@H](O)Cc1ccccc1)NCc1ccc(O)c(O)c1 813491203 SDUNNMACZNCNEU-CQSZACIVSA-N 301.342 1.708 10 10 DDCE CC[C@H]1CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CCS1 846246001 CNHCZXLNUWDMCR-JTQLQIEISA-N 322.390 1.461 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NCc2ccc(O)cc2O)C1 1896038886 CYFUIIYAVFLAGT-TZMCWYRMSA-N 324.377 1.168 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)n(C)n3)C2)cc1 855230873 FWIZBZXWAZPITE-CYBMUJFWSA-N 314.389 1.746 10 10 DDCE CN(C)c1cc(F)c(CNCC[C@@]2(O)CCOC2)cc1F 858184290 KEDCMQXJPXASMX-OAHLLOKOSA-N 300.349 1.662 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cn(C)c(O)n3)C2)cc1 855227803 ZFFNSPYXUKXXPI-LLVKDONJSA-N 316.361 1.143 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C(C)(C)OC(C)=O)C2)cc1 855228210 XHQUDILXCRNXKQ-ZDUSSCGKSA-N 320.389 1.732 10 10 DDCE COC(=O)CCNC(=O)CCN[C@@H](C)c1ccc(C)cc1O 858542417 VISPKAVMIWDXQL-LBPRGKRZSA-N 308.378 1.421 10 10 DDCE CNCCOCCN(C)Cc1ccc(N2CCOCC2)cc1 863647834 DITQYCIUZQJLOR-UHFFFAOYSA-N 307.438 1.191 10 10 DDCE CC(C)(C)[C@H](NCc1ccc(N2CCOCC2)cc1)C(N)=O 930011516 HPUQVLOAVAZYOO-OAHLLOKOSA-N 305.422 1.513 10 10 DDCE COc1cc(O)c(CN[C@@H]2CCN(C3CCC3)C2=O)cc1OC 862551307 LXTAATJGDQLADG-CYBMUJFWSA-N 320.389 1.652 10 10 DDCE Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)nn1 867126079 UMDUSJJNVOVPHO-LBPRGKRZSA-N 320.418 1.891 10 10 DDCE COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)c1ccc(C)c(O)c1O 869990112 HFHZNHWPBASEIU-QFYYESIMSA-N 323.345 1.199 10 10 DDCE C[C@@H](NCC(C)(C)CS(N)(=O)=O)c1ccc(N(C)C)cc1 866573677 MUMXPSYCRLIEMQ-GFCCVEGCSA-N 313.467 1.718 10 10 DDCE CC[C@@H](NCC(C)(C)CS(N)(=O)=O)c1ccccc1O 866571251 BUHLZYXTDORWDU-GFCCVEGCSA-N 300.424 1.748 10 10 DDCE COC(=O)c1c(CN2CC[C@H](CO)C2)c2cc(F)ccc2n1C 893986958 RNMKMIZXNGEPRU-NSHDSACASA-N 320.364 1.918 10 10 DDCE C[C@H](NS(=O)(=O)[C@H]1CCO[C@@H]1C)c1ccc(N(C)C)cc1 785518450 PCGVZMMCAHSHFU-ZOWXZIJZSA-N 312.435 1.910 10 10 DDCE Cn1cc(CNC(=O)NCCCSc2nccs2)nn1 783249050 CDATWVCDSPMBJC-UHFFFAOYSA-N 312.424 1.253 10 10 DDCE C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)Cc1ccc(O)c(O)c1 1467908724 WWJBEEFOZDIZLG-UFBFGSQYSA-N 319.279 1.819 10 10 DDCE COc1cc(N2CCN(C3COC3)CC2)c([N+](=O)[O-])cc1OC 1612145472 RAMRJIGIOVORKA-UHFFFAOYSA-N 323.349 1.133 10 10 DDCE COc1ccc(CNC(=O)c2ccc(CN(C)C)o2)c(O)c1 1617761534 BIEKRWMIEJVPTF-UHFFFAOYSA-N 304.346 1.985 10 10 DDCE Cc1cc(C(=O)NCc2cc(O)ccc2O)c(N)c([N+](=O)[O-])c1 1558175560 VUJFEMUBPPTYPM-UHFFFAOYSA-N 317.301 1.827 10 10 DDCE CC(C)(NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)C(F)(F)F 1644119997 UIHAPCUEGDPKPR-NSHDSACASA-N 307.268 1.458 10 10 DDCE Cc1cc(C(=O)NCc2ccc(O)cc2O)c(C)n1NC(N)=O 1643103820 GSDNPUMSNRIUCV-UHFFFAOYSA-N 318.333 1.068 10 10 DDCE N[C@H](COCc1ccccc1)C(=O)NCc1ccccc1O 1931711008 IKZQNMZZVJITHO-OAHLLOKOSA-N 300.358 1.553 10 10 DDCE Nc1ccc(CCC(=O)N(CC(=O)O)CC(F)(F)F)cc1 158176181 DGFLCIJZMFXSRI-UHFFFAOYSA-N 304.268 1.677 10 10 DDCE C=CC(=O)NCCC(=O)N(CC)Cc1ccc(N(C)C)cc1 156717025 HGPUBZGCPZGAEA-UHFFFAOYSA-N 303.406 1.793 10 10 DDCE COc1c(O)ccc(/C=C2/SC(=S)NC2=O)c1[N+](=O)[O-] 5607099 KYMWKFUCOOTOPD-QPJJXVBHSA-N 312.328 1.798 10 10 DDCE C[C@@H](c1cc(F)ccc1O)N1CC[C@@H](CS(C)(=O)=O)C1 2143700105 JWIFKDXISCEAOA-WDEREUQCSA-N 301.383 1.959 10 10 DDCE CNCc1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)c(Cl)c1 2144168800 AAPMVOHFRFDZJX-TXEJJXNPSA-N 314.838 1.540 10 10 DDCE O=c1nc(CNCc2ccc(Br)cc2O)[nH]o1 2005021807 IHPJEQUXMGXKEX-UHFFFAOYSA-N 300.112 1.121 10 10 DDCE CNCc1ccc(N(CC(N)=O)Cc2ccccc2)cc1OC 1994421837 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CSCC[C@@H](NC(N)=O)C(=O)NCc1ccc(N(C)C)cc1 8171232 UMVJFRCRAZVRJH-CYBMUJFWSA-N 324.450 1.159 10 10 DDCE Nc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCO3)cc1 36288680 ZOTNWRBDDWVURB-UHFFFAOYSA-N 304.371 1.682 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NCc1cc2c(cc1O)OCO2 227561908 SCYTURGSOCZNCC-WDEREUQCSA-N 322.361 1.876 10 10 DDCE CCNCc1ccc(N2C[C@H](O)C[C@H]2CN(C)C)c(Cl)c1 250176407 KHQYGFKDCPPRTF-UONOGXRCSA-N 311.857 1.951 10 10 DDCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@@H]1CCC[C@@H]1O 255833415 KGQOMYOJFZLOAX-NWTSWCFDSA-N 316.401 1.566 10 10 DDCE Cc1cc(C(=O)NC[C@](C)(O)C(=O)O)c(C)n1-c1ccccc1 262450504 VVACKGWPFLJZKD-KRWDZBQOSA-N 316.357 1.660 10 10 DDCE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)c1cccc(O)c1O 365676846 YNYJHTVDNZQFMR-QWRGUYRKSA-N 323.345 1.281 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](C)Cn2cncn2)c1 273596397 QSOQZXIZPSKNMT-WDEREUQCSA-N 304.350 1.510 10 10 DDCE CC(=O)C(=O)COC(=O)c1cn(-c2ccccc2Cl)nn1 808510437 TXKKZHPBSZJNAJ-UHFFFAOYSA-N 307.693 1.236 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H]3CO4)c(Br)cc21 718364874 RKEBZUMGUUJZOA-DJOAAKCGSA-N 324.178 1.379 10 10 DDCE CCN[C@H](c1ccccc1O)[C@@H](O)C(C)(C)S(C)(=O)=O 2166704803 LXMNVASHCFABJQ-CHWSQXEVSA-N 301.408 1.227 10 10 DDCE COc1ccc(N(C)C(=O)c2c[nH]nc2[C@@H]2CCNC2)cc1 662827880 PALKMNFFBDCFKK-LLVKDONJSA-N 300.362 1.772 10 10 DDCE COc1ccc(CNC(=O)c2nn3c(c2C)OCCC3)c(O)c1 831038421 KUSGSFYSPULUBS-UHFFFAOYSA-N 317.345 1.618 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccnc(N2CCCC2)n1 910948893 BMYSQYYEOYOZEH-UHFFFAOYSA-N 314.345 1.418 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CN(C2CC2)C(=O)O1 848363532 HDWMQOPRFPJWSI-RDNKVPPGSA-N 318.329 1.210 10 10 DDCE CC(F)(F)CCCS(=O)(=O)NCc1ccc(O)cc1O 916424745 LVCNUUWDQLHQNP-UHFFFAOYSA-N 309.334 1.953 10 10 DDCE CC(C)(C)OC(=O)COCC(=O)NCc1ccc(O)c(O)c1 843831793 RLIAUDMPJVUPJW-UHFFFAOYSA-N 311.334 1.072 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1cc(CN)ccc1O 687754770 GZIZLUDONKNKGZ-LLVKDONJSA-N 310.350 1.891 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@]2(CO)CCC[C@@H]12 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DBZVJOQNWQRGBI-OLZOCXBDSA-N 324.421 1.604 10 10 DDCE COC1([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)CCOCC1 1162191179 LQYOBROCELPTTF-NSHDSACASA-N 309.362 1.341 10 10 DDCE COc1ccc(CN[C@@H](CCF)C(=O)O)cc1Cn1cccn1 1329691071 UQVQWBSYSLFANL-AWEZNQCLSA-N 321.352 1.842 10 10 DDCE Cn1ncnc1C1(O)CN(Cc2ccc(N3CCCC3)cc2)C1 1331580329 NMCGDILEOUCPOJ-UHFFFAOYSA-N 313.405 1.119 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N1CCCC[C@@H]1C1OCCO1 2132399160 CSRZYAGVJZCAKM-SNVBAGLBSA-N 309.318 1.171 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2ncn(C)n2)cc1C 1265771311 TVTPEOHUWIWNLM-LBPRGKRZSA-N 317.393 1.040 10 10 DDCE CN(Cc1ccccc1)C1CN(c2ccc3c(c2)NC(=O)[C@@H]3N)C1 1914195722 RJCYSOHNCFANCH-GOSISDBHSA-N 322.412 1.959 10 10 DDCE CCOC(=O)NS(=O)(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 1912198027 BIYUYLBTJMWKNQ-VIFPVBQESA-N 305.360 1.390 10 10 DDCE COCCN(CC(=O)OC)C(=O)c1ccc(N=NC(N)=O)cc1 1617281730 NKRMPCJTGQFUTJ-UHFFFAOYSA-N 322.321 1.111 10 10 DDCE CCOC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1625741701 RHRFRFXHRKMYKL-LBPRGKRZSA-N 322.361 1.377 10 10 DDCE COC[C@@H](C)C(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1 1483214789 QSRGRBNYDQDBNY-KGLIPLIRSA-N 308.422 1.880 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCOc1cccc(F)c1 1629762618 DEXVDBNXMNNVIJ-UHFFFAOYSA-N 305.305 1.975 10 10 DDCE O=C(CNC(=O)c1cccs1)NCc1cccc(O)c1O 1633506852 BVVOYTKACWFQJJ-UHFFFAOYSA-N 306.343 1.206 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccncc1 1638529373 NBVRBAKWIJAMLL-UHFFFAOYSA-N 314.341 1.993 10 10 DDCE CCOC(=O)Cn1ccc(NC(=O)Cc2ccc(O)c(O)c2)n1 1570908640 MBSAOYLCCCONCT-UHFFFAOYSA-N 319.317 1.039 10 10 DDCE C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)Cc1ccc(O)c(O)c1 1640421481 GNROWGHOGNCCAH-TZMCWYRMSA-N 304.390 1.726 10 10 DDCE CN(Cc1ccccc1O)C[C@@](O)(C(N)=O)c1ccccc1 1653611103 ADTKPLUHNJHNBO-KRWDZBQOSA-N 300.358 1.197 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccccc1-n1ccnn1 1651225770 XNMUDAZADMUVQQ-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CN1NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)C1=O 169996356 WULWPWHXLZUMTO-LURJTMIESA-N 316.144 1.441 10 10 DDCE COCC(O)(CNCc1cc(Cl)cc(Cl)c1O)COC 1875693270 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316.195 1.783 10 10 DDCE CS(=O)(=O)C[C@H]1CCCN1c1ccc(CO)cc1Cl 2094922236 AZFNIHQLXOOEOY-LLVKDONJSA-N 303.811 1.846 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CC=C[C@H]2CF)cc1 2203017287 VTIWUMKWLRZEAG-LBPRGKRZSA-N 300.355 1.187 10 10 DDCE CNCc1ccc(N2CC(S(=O)(=O)C(F)F)C2)c(Cl)c1 2206701879 HHUBTAPLZQKVCS-UHFFFAOYSA-N 324.780 1.885 10 10 DDCE O=[N+]([O-])c1cc(NS(=O)(=O)CC(F)(F)F)ccc1O 2227889775 WQTYKSZLGIQWBV-UHFFFAOYSA-N 300.214 1.604 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H](C)C[C@H]2C(=O)O)s1 2284544341 OIFYLEUVEACRQF-CBAPKCEASA-N 315.420 1.870 10 10 DDCE NC(=O)[C@@H]1CCC[C@H](NC(=O)C=Cc2ccc(O)c(O)c2)C1 2308001512 OURZOTGIVXPBRM-NEPJUHHUSA-N 304.346 1.271 10 10 DDCE COC(=O)[C@H]1CCCCN1C(=O)[C@@H](C)Cc1ccc(O)c(O)c1 170046142 INSCJBMTOSSTIB-WCQYABFASA-N 321.373 1.831 10 10 DDCE CN1CCN(C2=NC(=O)/C(=C\c3cccc(O)c3)S2)CC1 33314113 YQLUYXMHRBFKIO-JLHYYAGUSA-N 303.387 1.610 10 10 DDCE CC(=O)N1CCC(NCc2ccc(N3CCOCC3)cc2)CC1 78421969 PJZPNQQTPITFEW-UHFFFAOYSA-N 317.433 1.624 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)[C@@]12CCC[C@@H]1CS(=O)(=O)C2 2362981548 PFIAIBWSZSUNOZ-ZYHUDNBSSA-N 300.384 1.360 10 10 DDCE N[C@@H](CC(=O)O)c1cc(I)ccc1O 44216825 DXUZMZDRNCAFKL-ZETCQYMHSA-N 307.087 1.471 10 10 DDCE CC(=O)[C@](C)(O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 828669499 LVGXAEJMQKGQAE-SUMWQHHRSA-N 306.406 1.514 10 10 DDCE CC[S@@](=O)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 735113110 SNLAYXJZOXEYAV-OAQYLSRUSA-N 311.451 1.663 10 10 DDCE C[C@H](O)[C@@H]1CN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CCO1 844210453 YDMDNDHJXBSLHK-JXUOYEGUSA-N 322.317 1.279 10 10 DDCE CO[C@]12CCC[C@@]1(NC(=O)/C=C/c1ccc(O)c(O)c1)CCO2 928065183 NNDKZNVVIVJYIQ-UPXOEVQQSA-N 319.357 1.913 10 10 DDCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)NCc5c(O)cccc5F)[C@H]1[C@@H]3[C@@H]42 928708994 UTYINOFYMTZBGV-WJEQNOSOSA-N 313.328 1.475 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CCOC[C@@H]2CC2CC2)cc1 927933759 PHQPZESNRDTPFP-AWEZNQCLSA-N 303.362 1.235 10 10 DDCE O=S(=O)(CCNCc1ccc2c(c1)CCO2)CC(F)(F)F 850363983 MWFAOIIEWFQEEU-UHFFFAOYSA-N 323.336 1.688 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)C2)cc1 855232670 WPMQEWHMAKYVAM-WBQNTZJQSA-N 316.401 1.958 10 10 DDCE COC(=O)[C@]1(OC)CCN(Cc2ccc(N(C)C)cc2C)C1 862475366 IHLVWEUMTLYTNU-KRWDZBQOSA-N 306.406 1.825 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCCCN3)C2)cc1 1118571814 JCOGJVSYGVUFTQ-YOEHRIQHSA-N 317.433 1.922 10 10 DDCE O=C1NCC[C@@]1(C(=O)N1Cc2cccc(O)c2C1)C1CCCC1 871206765 DKJHIGUYXBRIHT-GOSISDBHSA-N 314.385 1.931 10 10 DDCE CC(C)(C)OC(=O)NCCONC(=O)Nc1ccc(N)cc1 1959377297 LVAMGCIGEXYWPA-UHFFFAOYSA-N 310.354 1.847 10 10 DDCE CN(Cc1cccc(F)c1O)C[C@@H]1CCCCS1(=O)=O 694397889 MCSRJZAEVIREEW-LBPRGKRZSA-N 301.383 1.930 10 10 DDCE Cn1nc(C(=O)NCc2c(O)cccc2O)cc1C(F)(F)F 1156885312 DCPXAHBYBPNPPP-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE N=c1nnc(OCc2cc(Cl)ccc2Br)n[nH]1 2213786896 DOTLNNFRWIHNKW-UHFFFAOYSA-N 316.546 1.674 10 10 DDCE COC(=O)c1ccnc(C(=O)NCc2cc(C)ccc2O)c1 1167293632 MAUNRJYMGOUISV-UHFFFAOYSA-N 300.314 1.812 10 10 DDCE COc1ccc(N2CC[C@@H](Nc3cc(C)nc(CO)n3)C2)cc1 1327688759 PAIRFJYZDXINEQ-CYBMUJFWSA-N 314.389 1.977 10 10 DDCE CCN(CC)c1ccc(CNCC(=O)N2CCN(C)CC2)cc1 1648946501 PXEOZEPZPPGNKJ-UHFFFAOYSA-N 318.465 1.396 10 10 DDCE [N-]=[N+]=NC1CN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 1912182908 IJBOMLRECUIDHL-UHFFFAOYSA-N 317.714 1.931 10 10 DDCE Cc1cccc(N(CCC(N)=O)C(=O)/C=C\c2cn(C)cn2)c1 1360524057 SEFFATGHMHCCCX-SREVYHEPSA-N 312.373 1.650 10 10 DDCE CCn1[nH]c(C)nc1=NC(=O)c1cc2cc(O)c(O)cc2s1 1469641789 VNXGVIKAVWNKNL-UHFFFAOYSA-N 318.358 1.907 10 10 DDCE CCC(=O)N1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1464365584 UEMRWGFHRYTKSZ-UHFFFAOYSA-N 306.362 1.111 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)Cc1ccccc1 1556116782 YRKUVXNLCPFNPN-CQSZACIVSA-N 301.342 1.360 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1nc(C2CC2)n[nH]1 1633817702 AFRADKHEDDJYPI-VIFPVBQESA-N 316.361 1.383 10 10 DDCE C[C@@H](CNCCCF)NC(=O)c1ccc(N=NC(N)=O)cc1 1498202598 LEYHGJLJYIYROL-JTQLQIEISA-N 309.345 1.917 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]([C@@H]1CCOC1)C(F)(F)F 1639956985 XEPJYUBCYQYUFZ-NOZJJQNGSA-N 319.279 1.724 10 10 DDCE CC(C)(C)OC(=O)NCCNC(=O)CCc1ccc(N)cc1 230013383 YRBOIVZXOOSUTA-UHFFFAOYSA-N 307.394 1.842 10 10 DDCE CN1CCC([C@@H]2CCN(C(=O)Cc3ccc(O)c(O)c3)C2)CC1 1567283090 QJRSGKOSGYNVIE-OAHLLOKOSA-N 318.417 1.831 10 10 DDCE C[C@H](O)CNCC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1732758694 CJVDNTCTWMVILS-QWRGUYRKSA-N 321.381 1.328 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc(Cc2nc[nH]n2)cc1 1645363502 XRMFDSJYNKPXHE-UHFFFAOYSA-N 324.340 1.737 10 10 DDCE CC(C)CS(=O)(=O)CCC(=O)NCc1c(O)cccc1O 1652622600 AIXUMCGIJUPWKS-UHFFFAOYSA-N 315.391 1.175 10 10 DDCE CN1C(=O)/C(=C\c2ccc(N3CCOCC3)o2)SC1=S 205770869 CMGXVEJOIKLRKT-CSKARUKUSA-N 310.400 1.947 10 10 DDCE CNC(=O)[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 157513960 PNUVBQXNTROQQC-CQSZACIVSA-N 322.384 1.312 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](CO)NCc1ccc2c(c1)CCO2 1876252216 LDTUGLAHNJCYQF-AWEZNQCLSA-N 322.405 1.597 10 10 DDCE COc1cc(N)c(N2CC(NC(=O)C(F)(F)F)C2)cc1OC 1977936548 YTKVIZCYVHDJFQ-UHFFFAOYSA-N 319.283 1.153 10 10 DDCE CC(C)(C)OC(=O)N1CC(ONC(=O)c2cccc(O)c2O)C1 1984435684 IPVHOQWYCVKSBC-UHFFFAOYSA-N 324.333 1.379 10 10 DDCE NC(=O)[C@H]1C[C@@H](N)CN(Cc2cc(Cl)cc(Cl)c2O)C1 2151020679 FBJRIQQXCLEDEW-WCBMZHEXSA-N 318.204 1.334 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H](c4ncccn4)C3)c2n1 2064349099 DRCGERVTTRMVBC-NSHDSACASA-N 324.344 1.163 10 10 DDCE CSCC[C@@H](O)CCNC(=O)c1cc(O)c(O)c(O)c1 2188868460 RLVLFTLAKDUGJR-VIFPVBQESA-N 301.364 1.037 10 10 DDCE COc1cccc(O)c1CN=c1[nH]ccnc1Br 2057935864 SJSPFCWAWCMTMC-UHFFFAOYSA-N 310.151 1.987 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@@H]2CCC2=O)s1 2257038392 AFFCLIFKOHPLSG-ZETCQYMHSA-N 306.434 1.264 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@H]2[C@@H](O)CO)cc1Br 2258330787 JSHBRANKUVVZHM-JCOFBHIZSA-N 316.195 1.434 10 10 DDCE COCC1(C(=O)NCc2cnc(SC)s2)CC(N)C1 2269088503 RTGPANZAXQLXGR-UHFFFAOYSA-N 301.437 1.235 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CCC[C@H](CN)O2)s1 2269101697 VOZOOYYXDGNHJI-PSASIEDQSA-N 301.437 1.378 10 10 DDCE CCOC(=O)CCS(=O)(=O)CCOc1ccc(N)cc1 2281361548 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DDCE NC(=O)Cc1occc1C(=O)N1CCc2c(F)ccc(F)c21 354086346 OXYQVVYFUZHNJC-UHFFFAOYSA-N 306.268 1.789 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H](CO)CC3)cc2N1 378832851 KUJIGFFDXURIBX-JTQLQIEISA-N 321.333 1.525 10 10 DDCE Cn1cc(NC(=O)C(=O)NCc2ccccc2O)c(C2CC2)n1 291269195 HBPMUKWZHIMZHA-UHFFFAOYSA-N 314.345 1.258 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(-c2ccccc2Cl)c1 808510113 DUQXSIGDBRPUIH-UHFFFAOYSA-N 306.705 1.841 10 10 DDCE C[C@@H]1COCC[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O 819167813 IEJHKMAWOMVVRU-DGCLKSJQSA-N 304.346 1.581 10 10 DDCE COc1ncncc1CN(C)c1ccc(OCC(=O)O)cc1 902017150 QVVHFBQESJUCIZ-UHFFFAOYSA-N 303.318 1.585 10 10 DDCE C[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCN1CCO 835044957 DYNFPGKJGIZSLF-APHBUQMISA-N 303.450 1.764 10 10 DDCE CN(CC(=O)[C@H](N)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C 1952912095 CEIHOLVCECHJHK-LLVKDONJSA-N 324.377 1.404 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C\Cn1cncn1 900399691 HEHYXWVBIRBQMF-WAYWQWQTSA-N 313.405 1.949 10 10 DDCE 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COc1ccc(N2CC[C@@H](NC(=O)NCCNC3CC3)C2)cc1 851661324 JAPZTPRITPMICO-CQSZACIVSA-N 318.421 1.325 10 10 DDCE CN1C(=O)CC[C@@H](Nc2c(N)cccc2Br)C1=O 697530093 XMGVPVRHDRIJBU-SECBINFHSA-N 312.167 1.591 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C3(F)CCOCC3)C2)cc1 869228956 QGMNIAHKFBRZCU-ZDUSSCGKSA-N 322.380 1.909 10 10 DDCE CCO[C@H](CS(=O)(=O)N1Cc2cccc(O)c2C1)C1CC1 867690815 NNYZIAHNXUJJLS-OAHLLOKOSA-N 311.403 1.853 10 10 DDCE CCN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1=O 897383518 STMGHLWSEYUKOZ-UHFFFAOYSA-N 320.370 1.617 10 10 DDCE CS(=O)(=O)C[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 793693256 BNOMAPUNUGQNIM-LBPRGKRZSA-N 309.431 1.747 10 10 DDCE O=S1(=O)C[C@@H]2C(CNCc3cc(Cl)ccc3O)[C@H]2C1 2117988490 PAGGGXSNFPPEJE-VXGBXAGGSA-N 301.795 1.426 10 10 DDCE O=C(O)[C@H](NCc1c(O)ccc(Cl)c1F)[C@@H]1CCCO1 1261845937 SLTXOMONZMOOAE-CMPLNLGQSA-N 303.717 1.907 10 10 DDCE Cc1nc(O)nc(S)c1C(=O)NCc1ccc(O)c(O)c1 1445898384 ALZIZMTYVODCHZ-UHFFFAOYSA-N 307.331 1.121 10 10 DDCE C[S@@](=O)C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 1618173358 KIQHFSILOUTNGE-JOCHJYFZSA-N 322.390 1.880 10 10 DDCE CS(=O)(=O)c1ccccc1C(=O)NCc1cc(O)ccc1O 1471661401 QXSDZWSBMVJSOS-UHFFFAOYSA-N 321.354 1.431 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCOC2(CCOCC2)CC1 1625737786 DDCXRSSHBMOAMM-UHFFFAOYSA-N 321.373 1.438 10 10 DDCE CC(C)(C(=O)NCc1cc(O)ccc1O)n1cc([N+](=O)[O-])cn1 1633595310 QWUBQQUCEBROBB-UHFFFAOYSA-N 320.305 1.254 10 10 DDCE COC(=O)c1ccc(CC(=O)NCc2ccc(O)c(O)c2)cn1 1631433599 CKFHODWTLWKQOV-UHFFFAOYSA-N 316.313 1.138 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@H](O)Cc1ccccc1Cl 1645362975 HIXISPUQVCDEIU-OAHLLOKOSA-N 321.760 1.971 10 10 DDCE Oc1ccc2c(c1)O[C@@H]1c3ccc(O)c(O)c3CO[C@H]1[C@H]2O 238753738 AQPFFYOIRKEBDI-XHSDSOJGSA-N 302.282 1.869 10 10 DDCE CCc1c(OCc2ccc(N)cc2)c(=O)ccn1C[C@H](C)O 1857913481 KNSXDTGMKYSFIM-LBPRGKRZSA-N 302.374 1.953 10 10 DDCE CNCc1ccc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1Cl 2144172052 VLBIHIZWAIXSFG-RYUDHWBXSA-N 314.838 1.540 10 10 DDCE CN(Cc1ccc(N)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1977849009 NIFDDSHUSWVELR-GJZGRUSLSA-N 321.421 1.681 10 10 DDCE CN(C)c1ccc([C@]2(N)COC[C@H]2NC(=O)OC(C)(C)C)cc1 1977944069 AODODDMAQRTJGY-RHSMWYFYSA-N 321.421 1.830 10 10 DDCE CN(C)c1ccc([C@@]2(N)COC[C@H]2NC(=O)OC(C)(C)C)cc1 1977944067 AODODDMAQRTJGY-PBHICJAKSA-N 321.421 1.830 10 10 DDCE COC(=O)CCS(=O)(=O)CCCOc1ccc(N)cc1 36336845 HVQHGOXYIUQRTI-UHFFFAOYSA-N 301.364 1.016 10 10 DDCE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)Nc1ccc(N)cc1 1993268082 ITFFBSBCNOSMBK-LBPRGKRZSA-N 323.393 1.872 10 10 DDCE Cc1ncc(S(=O)(=O)NCCc2ccc(O)c(O)c2)s1 2148017660 XZRGNAIBMWGGLO-UHFFFAOYSA-N 314.388 1.384 10 10 DDCE COCCN(CCO)c1cc(Br)c(CN)cc1F 310724261 JYPIHWXYVLABDY-UHFFFAOYSA-N 321.190 1.492 10 10 DDCE C[C@@H](O)CN1CCN(c2cc(Cl)c(CN)cc2F)CC1 2177381032 IQVAUKSUMLVWOT-SNVBAGLBSA-N 301.793 1.441 10 10 DDCE CC[S@@](C)(=O)=NS(=O)(=O)CCOc1ccc(N)cc1 395774148 IYLZKYNJPOPVRB-GOSISDBHSA-N 306.409 1.095 10 10 DDCE Nc1c(CO)nn(Cc2cccc(F)c2O)c1C(F)(F)F 2079257870 SQFTVCWPTCAWPU-UHFFFAOYSA-N 305.231 1.869 10 10 DDCE OC[C@H]1COCC[C@H]1NCc1c(O)cccc1Br 2072979434 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COc1ccc(CN2CCC(Cn3cncn3)CC2)c(O)c1 189976744 JIJYXQACJZYWMR-UHFFFAOYSA-N 302.378 1.905 10 10 DDCE O=C(OCc1ccc(O)cc1)[C@@H]1NCCc2cc(O)c(O)cc21 85479324 MJAMUAQHPBOFFI-MRXNPFEDSA-N 315.325 1.734 10 10 DDCE CCN(CC)c1ccc(/C=c2/sc3n(c2=O)CCN=3)cc1 96565108 YEMYVAYUUQHLGT-SDNWHVSQSA-N 301.415 1.218 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)cc1 249602923 QUOGFIBMEAGJLS-UQFXTHDASA-N 315.417 1.663 10 10 DDCE Cc1ccc(C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)c(O)c1O 803568001 XOEOTQJZJWLSLZ-CMPLNLGQSA-N 311.378 1.294 10 10 DDCE C[C@H]1CS(=O)(=O)CCN1C/C=C/c1ccc(N(C)C)cc1 835026629 WRIZXZCVPLWLBZ-NNTXTVRGSA-N 308.447 1.885 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCN3C(=O)NC[C@@H]3C2)cc1 835030559 ZKCZNAZCXOBYEC-MJSXRHKHSA-N 300.406 1.475 10 10 DDCE CN1CCC(O)(CNC/C=C/c2ccc(N(C)C)cc2)CC1 835040827 SIYVHJVUFJEUNT-SNAWJCMRSA-N 303.450 1.812 10 10 DDCE C[C@H](NC(=O)C[C@]1(C(=O)O)CCOC1)c1ccc(N(C)C)cc1 849181895 XWCWFKVEQIPXBM-YVEFUNNKSA-N 320.389 1.811 10 10 DDCE O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1[C@H]2COC[C@H]21 925315151 NXQNQXXHAHUEMQ-YABSGUDNSA-N 322.748 1.455 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CC(C)=NO3)C2)cc1 855224428 FYOQAMODYSLVKN-IUODEOHRSA-N 303.362 1.555 10 10 DDCE COc1ccc(CNC(=O)Cc2cnn3c2CCCC3)c(O)c1 867956487 TTXYHSFFSGNWHS-UHFFFAOYSA-N 315.373 1.793 10 10 DDCE CSCC[C@H](O)C(=O)NCc1ccc2cccnc2c1O 862026965 FKZZIFNJSDJFJN-LBPRGKRZSA-N 306.387 1.671 10 10 DDCE COCCn1ncc(C(=O)NCc2cc(C)ccc2O)c1C 869410910 OKWHSBPLTGXTSR-UHFFFAOYSA-N 303.362 1.782 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CN(C)C3CCC3)C2)cc1 863929977 HVKGKHLGXDUZDB-CQSZACIVSA-N 317.433 1.874 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)CC(=O)OC)c([N+](=O)[O-])c1 779427017 VXPNTIVUQFAKAM-FNORWQNLSA-N 308.290 1.390 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)cc1 1135517185 GFUGMQSVJZWJDQ-JTQLQIEISA-N 303.322 1.187 10 10 DDCE CSCC1(C)CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2126320881 QROIKYNLUXCNRO-UHFFFAOYSA-N 300.449 1.784 10 10 DDCE Cn1cc(Br)c(CNC(=O)c2cc(O)cs2)n1 1449864651 VFDUMGLOFHHCCE-UHFFFAOYSA-N 316.180 1.880 10 10 DDCE CCn1ncn(NC(=O)c2cc3cc(O)c(O)cc3s2)c1=O 1298672019 NPMBLUMMNJGWOO-UHFFFAOYSA-N 320.330 1.075 10 10 DDCE COCCCS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(N)cc1 111659414 WBCNMVPCXFHXDF-JTQLQIEISA-N 300.380 1.047 10 10 DDCE C[C@H](NC(=O)NCc1nc(N)n[nH]1)c1ccc(N(C)C)cc1 1479133573 RASREWULSQCOIK-VIFPVBQESA-N 303.370 1.013 10 10 DDCE NC(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 1626837870 HZCTWQDKAXPMKH-UHFFFAOYSA-N 301.302 1.518 10 10 DDCE COCC(=O)N[C@H](CNCc1ccc(OC)c(C)c1)C1CC1 1483537066 SVWWMYHNYCHBOO-OAHLLOKOSA-N 306.406 1.634 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc(Cn2cncn2)cc1 1639441480 VWGDDVNXEVQMJN-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)C1CCN(CC(F)F)CC1 1631434029 JUAUXNUPUCGQJI-UHFFFAOYSA-N 314.332 1.691 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 1637776849 STRMYTHSIHJPOG-CABZTGNLSA-N 319.279 1.866 10 10 DDCE COC(=O)c1ncoc1CNC(=O)/C=C\c1ccc(O)c(O)c1 1643433439 OKIGDYFDWWYQGH-HYXAFXHYSA-N 318.285 1.202 10 10 DDCE NC(=O)c1cccc(C(=O)NCc2cccc(Cl)c2O)n1 1648606746 XJNNCNNGTYPACH-UHFFFAOYSA-N 305.721 1.470 10 10 DDCE O=C(NCc1ccc(O)nn1)NCc1cc(Cl)ccc1O 1682634658 CGVYTTCWVNEWNH-UHFFFAOYSA-N 308.725 1.541 10 10 DDCE CCNC(=O)[C@@H]1COCCN1c1ccc(CNC)cc1Cl 160149331 JWEXFAOUSBUSRK-AWEZNQCLSA-N 311.813 1.401 10 10 DDCE CN1CC[C@H](CNCc2c(O)cccc2Br)C1=O 1965960727 DANRQRYYQPJTNL-SECBINFHSA-N 313.195 1.723 10 10 DDCE N[C@H]1C[C@@H](O)CN(Cc2ccc(Br)cc2O)C1 2002695776 JWPVFQLCQBIUMS-WDEREUQCSA-N 301.184 1.049 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)N1CCC[C@H](CO)C1 2157788267 PBTCYYZFFYMFAV-VIFPVBQESA-N 320.798 1.407 10 10 DDCE C[C@H]1CN(c2ccc(CN)c(Cl)c2)C[C@@H](C)S1(=O)=O 400837725 IULYNGJIZNXNNP-AOOOYVTPSA-N 302.827 1.811 10 10 DDCE [N-]=[N+]=NCCNC(=O)Cn1cc(Br)ccc1=O 706286678 VWPCRZQGXKICGX-UHFFFAOYSA-N 300.116 1.037 10 10 DDCE CN(C[C@@H]1CCCCS1(=O)=O)c1ccc(CN)c(F)c1 710451223 YCAJBXXJQUHQOX-ZDUSSCGKSA-N 300.399 1.688 10 10 DDCE CN[C@H](C)c1ccc(N(C)CC(N)=O)c(Br)c1 723166761 QWGNGEFTHJIMJV-MRVPVSSYSA-N 300.200 1.651 10 10 DDCE O=C(NCc1ccccc1O)C1([C@@]2(O)CCCNC2)CCC1 2063621527 UOCOMDCOCYKRTM-QGZVFWFLSA-N 304.390 1.293 10 10 DDCE NCc1ccc(N2[C@H]3CC[C@H]2C(=O)NC3)cc1Br 2052290008 RZSCEXCGDVBIFN-JQWIXIFHSA-N 310.195 1.375 10 10 DDCE C[C@H]1CSCCCN1S(=O)(=O)Cc1ccc(N)cc1 2087319360 DYSGGQDMQGWBBA-NSHDSACASA-N 300.449 1.926 10 10 DDCE CSc1ncc(CN=c2cc(C(N)=S)nc(C)[nH]2)s1 2269241809 KXVFJQYACCFUDI-UHFFFAOYSA-N 311.461 1.632 10 10 DDCE Oc1cc(Br)ccc1CN[C@@H]1CCC[C@@H](O)[C@@H]1O 2217643114 QMJPEKFXCDUNPK-NQBHXWOUSA-N 316.195 1.519 10 10 DDCE CS(=O)(=O)C1(C[S@](=O)CCCc2ccc(N)cc2)CC1 2237864875 IEVBITHNSFCWER-LJQANCHMSA-N 315.460 1.527 10 10 DDCE Cc1nn(C)c(NS(=O)(=O)Cc2ccc(N)cc2)c1Cl 2240976766 RLONJKPUCXLTGI-UHFFFAOYSA-N 314.798 1.906 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC(F)(F)C3(CC3)C2)cc1 2294700255 BRZLFDLRSFBCQW-UHFFFAOYSA-N 302.346 1.830 10 10 DDCE Cn1cnc(Br)c1[C@@H](O)[C@H](N)c1ccccc1O 2315658328 WSDJHVHBFFLKGK-KOLCDFICSA-N 312.167 1.622 10 10 DDCE C[C@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)c1cccc(Cl)c1 60865104 FQSXDGXVMSNBIS-VIFPVBQESA-N 321.764 1.925 10 10 DDCE CN(C)c1ccc(CN[C@@H]2CCC[C@H]2S(C)(=O)=O)cc1F 182683917 HVUWHIGLXBAWKE-UKRRQHHQSA-N 314.426 1.947 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N1CC[C@H](SC(F)F)C1 2365653368 KDGUXHNUQDINSU-ZETCQYMHSA-N 305.302 1.974 10 10 DDCE COc1ccc(CN2CCN(c3nc(C)ns3)CC2)c(O)c1 93663644 GIVUEEUPZDHYCO-UHFFFAOYSA-N 320.418 1.883 10 10 DDCE Cc1nn(C)c(Cl)c1S(=O)(=O)NCc1ccccc1O 269656523 AJKBNTIHIYSSRZ-UHFFFAOYSA-N 315.782 1.566 10 10 DDCE CN1CC[C@H](C(=O)NCc2cc(Br)ccc2O)C1 804737077 DCDGFZJMZCBOFB-VIFPVBQESA-N 313.195 1.723 10 10 DDCE CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1CCOC1 812878337 XAXYTSXZUZVEHX-KRWDZBQOSA-N 319.449 1.822 10 10 DDCE C[C@@H]1C[C@H](C(=O)N(CC(=O)O)Cc2ccccc2O)[C@@H](C)O1 911492435 GACZHEQMDMRECB-WZRBSPASSA-N 307.346 1.619 10 10 DDCE C[C@@H]1CNCC[C@H]1NCc1ccc(N2CCN(C)CC2)cc1 841065249 ZLDWBWYCDXPNEU-CRAIPNDOSA-N 302.466 1.526 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)[C@@H](C)CCO)c([N+](=O)[O-])c1 845752734 QJXBNTKUSFCXOG-ZRQQLDRUSA-N 308.334 1.988 10 10 DDCE CCOc1ccc(O)c(CN2CCCNC[C@H]2C(=O)OC)c1 843122911 GAIDLWIZRXPDJV-AWEZNQCLSA-N 308.378 1.128 10 10 DDCE COC(=O)[C@H](NCc1cc(C)c(C)cc1O)c1ccnn1C 843429609 HTQIBTUEKUAKHQ-OAHLLOKOSA-N 303.362 1.746 10 10 DDCE C[S@@](=O)C1(CNC(=O)NCc2c(O)cccc2F)CC1 922354476 CBTJQYQNPGYPDV-HXUWFJFHSA-N 300.355 1.242 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NOCC(F)F)C2)cc1 852291242 SCVCGGGZBYPCLG-JTQLQIEISA-N 315.320 1.770 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)[C@@H](C)CO)C2)cc1 853776263 OCQZZEJZCRODHQ-MJBXVCDLSA-N 321.421 1.590 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCN3C=O)C2)cc1 855226847 URXYXVCPMDRNEK-CJNGLKHVSA-N 317.389 1.011 10 10 DDCE Nc1ccc(NC(=O)C(=O)NC2([C@@H]3CCCCO3)CC2)cc1 927935979 NMQNGQHEDKKTNL-ZDUSSCGKSA-N 303.362 1.425 10 10 DDCE CO[C@@H]1CC[C@H](C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)C1 852791170 DIMBAQOQNYDSGQ-NUEKZKHPSA-N 305.422 1.684 10 10 DDCE C[C@H](NC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1O 868376919 WGVCHVAOHCSBLX-QWRGUYRKSA-N 303.362 1.516 10 10 DDCE C[C@H]1C[C@@H]1NC(=N)NCc1ccc(N2CCOCC2)c(F)c1 864454868 XKIZZKWXYOUVGN-FZMZJTMJSA-N 306.385 1.685 10 10 DDCE O=C(C[C@H]1CCCC(=O)N1)NCc1ccc2cccnc2c1O 862026695 XIYDOSYUJCJIJY-CYBMUJFWSA-N 313.357 1.615 10 10 DDCE O=C(CN1CCCCC1=O)NCc1ccc2cccnc2c1O 862028495 BCQXSDBMIVWJKM-UHFFFAOYSA-N 313.357 1.569 10 10 DDCE Cc1ccc(O)c(CN2CC[C@@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)c1 872255700 KZSFYWUEYVWPEK-FMKPAKJESA-N 317.389 1.068 10 10 DDCE c1cnc(N2CCN(Cc3ccc(N4CCCC4)cc3)CC2)nn1 1118942754 URTMRIVYIIOSRJ-UHFFFAOYSA-N 324.432 1.794 10 10 DDCE Fc1cc(N2CCNCC2)ccc1CNCc1ccncc1 84846861 LAWRKGBPSGJVFG-UHFFFAOYSA-N 300.381 1.920 10 10 DDCE CNC(=O)C1(NCc2c(O)ccc(Cl)c2F)CCOCC1 895884314 KNMIVMNSEUXBGP-UHFFFAOYSA-N 316.760 1.570 10 10 DDCE COc1cc(NS(=O)(=O)c2cnc(Cl)n2C)ccc1O 797819620 PFGKISONAPWWKD-UHFFFAOYSA-N 317.754 1.589 10 10 DDCE O=C(NCc1ccccc1O)c1ncc(Br)cn1 1622772969 QCWVRUBAXHGPOK-UHFFFAOYSA-N 308.135 1.875 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@H](S(C)(=O)=O)C2)c(Cl)c1 2123343984 ZBTIYPJJIHUYCT-KOLCDFICSA-N 302.827 1.983 10 10 DDCE C[C@@H]1CNc2c(C(=O)NCc3c(O)cccc3F)cnn2C1 1347389707 JENPFTMYAKEJMC-SECBINFHSA-N 304.325 1.719 10 10 DDCE CC(=O)N1CCC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 1457778961 DECWVPXKBPMRKT-JTQLQIEISA-N 310.325 1.225 10 10 DDCE C[C@@H]1CO[C@H](CO)CN1C(=O)c1ccc(N=NC(N)=O)cc1 1295013590 PEIZRAHIAAERQX-SKDRFNHKSA-N 306.322 1.071 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-n2cncn2)cc1 1623981569 WQTNAOSKPOGFSU-UHFFFAOYSA-N 310.313 1.860 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccccc1Cn1ccnn1 1557085599 QLNZCHZBNGWJAA-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc2oc(O)nc2c1 1638352987 YAJHFQFBXAXKAL-UHFFFAOYSA-N 300.270 1.875 10 10 DDCE COc1cccc([C@H](O)C(=O)NCc2c(O)cccc2O)c1 1639292585 IYVLWXKXTGBEDR-HNNXBMFYSA-N 303.314 1.456 10 10 DDCE COCCOc1ncccc1C(=O)NCc1cc(O)ccc1O 1637122667 MIZAEAIDBRBONE-UHFFFAOYSA-N 318.329 1.448 10 10 DDCE COc1ccc(CNC[C@@H](C)N(C)C(=O)c2ncc[nH]2)cc1C 1732417318 UKLLXEBILXSUGP-CYBMUJFWSA-N 316.405 1.977 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cnc(OCC2CC2)cn1 1651225336 GBLXHSUPWKBWDO-UHFFFAOYSA-N 315.329 1.607 10 10 DDCE O=C1c2c(O)cc(O)cc2OC[C@@]12Cc1cc3c(cc12)OCO3 14692677 SAXOGBBWXWKZKR-QGZVFWFLSA-N 312.277 1.896 10 10 DDCE biogenic CN[C@@H](C)c1ccc(N(C)[C@H]2CCS(=O)(=O)C2)c(F)c1 252372400 JCEYWNYGHLKATB-JQWIXIFHSA-N 300.399 1.729 10 10 DDCE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(O)c(O)c1 1982313475 JTQZVPJZCAFGCA-JTQLQIEISA-N 324.377 1.988 10 10 DDCE C[C@@H]1CC[C@H](C2OCCO2)N(CC(=O)c2ccc(O)c(O)c2)C1 2165133857 KEZMCXZUSVEVKI-DGCLKSJQSA-N 321.373 1.754 10 10 DDCE CO[C@@H](C1CC1)[C@H](C)NC(=O)c1cnn2c(O)cc(C)nc12 2062575492 FCPPPBCQDVNGEO-TVQRCGJNSA-N 304.350 1.287 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCCC[C@@H]3CO)c2n1 2063824280 MODUWPPULMAUSB-ZYHUDNBSSA-N 304.350 1.024 10 10 DDCE CN(C)C(=O)c1cc(CC2CC2)n(-c2ccc(O)c(O)c2)n1 2069953670 XWMZXFPDNYWMLC-UHFFFAOYSA-N 301.346 1.938 10 10 DDCE NCCO[C@H]1CCN(Cc2ccc(Br)cc2O)C1 2049878136 SYJZHRMNAUENTF-LBPRGKRZSA-N 315.211 1.704 10 10 DDCE OCc1cc(F)c(N2CC(N3CCSCC3)C2)c(F)c1 2191167818 NCOGVSCGGYPGIU-UHFFFAOYSA-N 300.374 1.695 10 10 DDCE O=S1(=O)C[C@H]2CCN(Cc3cc(Cl)ccc3O)[C@@H]2C1 2094883857 ZZWQPYDUDBWLEF-BXKDBHETSA-N 301.795 1.665 10 10 DDCE CCc1cccc(CNCCS(=O)(=O)CCOC)c1O 2204669571 WNYSYMIHWZGCKM-UHFFFAOYSA-N 301.408 1.105 10 10 DDCE C[C@@H](NCCCS(=O)(=O)C(F)F)c1cc(O)ccc1O 2237643181 GKNQUUXBJRRSCA-MRVPVSSYSA-N 309.334 1.776 10 10 DDCE NCc1ccc(N2CCN(CCO)CC2)cc1C(F)(F)F 36795398 USPYHIKEVHDQGD-UHFFFAOYSA-N 303.328 1.278 10 10 DDCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)CCC(=O)OC 49063103 XXYRCWJDZWHQPC-UHFFFAOYSA-N 314.407 1.374 10 10 DDCE COc1cc(Cl)c(N2C[C@H](OC)C[C@H]2CO)c(OC)c1 2368104892 CMJDNSSZZYOWTP-GXSJLCMTSA-N 301.770 1.943 10 10 DDCE NCc1ccc(N2CCO[C@H](CO)C2)c(F)c1Br 231840435 SLZRUYKRIRXZAG-VIFPVBQESA-N 319.174 1.244 10 10 DDCE O=C(c1cccnc1)N1CCN(c2ccc3c(c2)OCO3)CC1 244446907 YZLXREANLHPURK-UHFFFAOYSA-N 311.341 1.773 10 10 DDCE COc1cc(N2CC(=O)N(C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC 283603084 TUSUSYIXSIRHMW-VIFPVBQESA-N 309.322 1.279 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1nc(-c2ccccc2)oc1C 808493433 DHOISTMAMXYJQW-UHFFFAOYSA-N 301.298 1.894 10 10 DDCE O=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cc(O)cs1 802673453 OZJYZZRQQYITRV-GWCFXTLKSA-N 311.403 1.751 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc2nnc(C(C)(C)C)n2c1 808537978 XKECWPZBCVNJDO-UHFFFAOYSA-N 303.318 1.342 10 10 DDCE Cc1ccc(C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)c(O)c1O 803568004 XOEOTQJZJWLSLZ-ZYHUDNBSSA-N 311.378 1.294 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@@H](O)Cn2ccnn2)cc1 839178676 HIAWPVGTMPLIRL-MJSXRHKHSA-N 301.394 1.008 10 10 DDCE COC(=O)/C(C)=C/CNC(=O)NCc1ccc(N(C)C)cc1 902895032 RUOBUMPZBODITI-FMIVXFBMSA-N 305.378 1.671 10 10 DDCE CC/C=C\CNC(=O)CN(CC(=O)O)c1ccc(OC)cc1 853010389 BEGBYNUOPDGMJO-PLNGDYQASA-N 306.362 1.669 10 10 DDCE CC1(C)CC(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 856337506 QQDCEDPKPQMXAL-UHFFFAOYSA-N 312.391 1.682 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@H](C)CCO)C2)cc1 854295778 CAIXEQNKNSIRMW-ZIAGYGMSSA-N 321.421 1.686 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@@H]2CO[C@@H](C3CC3)C2)c1O 862530075 URVBXVQCOFKGQE-WCQYABFASA-N 308.334 1.966 10 10 DDCE O=S(=O)(C[C@H]1CCCC1(F)F)NCc1ccc(O)cc1O 867417431 VGEBVYFLLHZOCM-SNVBAGLBSA-N 321.345 1.953 10 10 DDCE O=C1c2ccccc2C(=O)c2cc(-n3nncc3CO)ccc21 62264601 LEPLSCYDXHFLNX-UHFFFAOYSA-N 305.293 1.535 10 10 DDCE CCOC(=O)CN1C(=O)/C(=C/c2cncnc2)c2ccccc21 781112170 VUKGGVXFZAHXLW-VGOFMYFVSA-N 309.325 1.927 10 10 DDCE C[S@@](=O)CCCNC(=O)c1cc2cc(O)c(O)cc2s1 896285500 PZYBYGWIFAJATC-HXUWFJFHSA-N 313.400 1.811 10 10 DDCE Oc1cc(CCNCc2c(O)cccc2Br)[nH]n1 706804195 CJKHNGCDJKJRGC-UHFFFAOYSA-N 312.167 1.916 10 10 DDCE CCNCc1ccc(N2CCSC[C@H]2S(C)(=O)=O)cc1 90923174 JDENVDWJXFCDSL-CQSZACIVSA-N 314.476 1.720 10 10 DDCE COc1ccc(/C=C2\SC(=S)N(CO)C2=O)c(OC)c1 1084390728 IWZYOQOJLRUZAC-WZUFQYTHSA-N 311.384 1.855 10 10 DDCE CN1CCN(c2ccc(CN3C[C@@H]4CNC[C@H]4C3)cc2F)CC1 1319972367 HABZGBLSOGJWIZ-HOTGVXAUSA-N 318.440 1.229 10 10 DDCE CCn1[nH]c(C)nc1=NC(=O)c1ccc(N=NC(N)=O)cc1 1164006039 NQAWCANVRIJOGC-UHFFFAOYSA-N 301.310 1.443 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@]3(F)CCOC3)C2)cc1 1328696549 FXFDZZZLJHGCOO-LRDDRELGSA-N 308.353 1.519 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC(C)(C(N)=O)C2)c([N+](=O)[O-])c1 1349067424 DQVZXNSBBPYJQF-GQCTYLIASA-N 319.317 1.093 10 10 DDCE O=C1N[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn23)CO1 1515044705 WJGBJIGJDNMJGD-NSHDSACASA-N 323.312 1.443 10 10 DDCE O=C(NCc1ccc2c(c1)OCCO2)c1c(F)ccc(O)c1O 1457526400 GOHCEAULZDJYAV-UHFFFAOYSA-N 319.288 1.938 10 10 DDCE CNC(=O)c1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1540655392 KUGJUDLYWAPLOI-UHFFFAOYSA-N 300.314 1.639 10 10 DDCE O=C(Cc1cnn(-c2ccccc2)n1)NCc1ccc(O)cc1O 1626837920 KCLORALMWHGMOV-UHFFFAOYSA-N 324.340 1.537 10 10 DDCE COc1cccc([C@H](O)CNC(=O)Cc2ccc(O)c(O)c2)c1 1622527245 YVYFVLQZQXCYQD-MRXNPFEDSA-N 317.341 1.499 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@]2(F)CCOC2)cc1C 1731943392 FVKMDTWKNXZCDU-KRWDZBQOSA-N 324.396 1.680 10 10 DDCE COc1ccccc1[C@H](O)C(=O)NCc1ccc(O)c(O)c1 1595596485 WZASNUUOEMMRAV-HNNXBMFYSA-N 303.314 1.456 10 10 DDCE NC(=O)C[C@H](N)C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 1866106141 GXRMQIGXEUXGLU-HNNXBMFYSA-N 312.373 1.001 10 10 DDCE OCc1ccc(N2CC[C@H](O)[C@@H](F)C2)cc1Br 1941015046 FNWQPYHNMWVLFZ-RYUDHWBXSA-N 304.159 1.851 10 10 DDCE O=C(CCNCc1cc(Cl)ccc1O)N=c1cc[nH]cc1 1857854822 YPXKFASKGQKOBX-UHFFFAOYSA-N 305.765 1.981 10 10 DDCE C[C@H]1CN(C(=O)CNCc2cc(Cl)ccc2O)C[C@@H](C)O1 1857868645 UJQFBHQNIGXMHC-PHIMTYICSA-N 312.797 1.771 10 10 DDCE COC(=O)CN(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1 1982309578 HRELKHZANDUMSG-UHFFFAOYSA-N 315.325 1.913 10 10 DDCE NC(=O)N1CC[C@@H](NCc2cc(Br)ccc2O)C1 393251227 FKESGDBJXPSRNT-SNVBAGLBSA-N 314.183 1.397 10 10 DDCE CC(F)(F)C[C@@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 2169543976 HHMFWYAFWFTHTK-NSHDSACASA-N 308.350 1.094 10 10 DDCE CCOC(=O)c1c(C2CC2)nn2c(O)cc(CC(=O)O)nc12 2080933659 QWRCTAGJADJJTJ-UHFFFAOYSA-N 305.290 1.116 10 10 DDCE O=C(NCc1c(O)ccc2ccccc12)C1(O)CCOCC1 1179032571 MJNPUFSEUJSCEK-UHFFFAOYSA-N 301.342 1.703 10 10 DDCE NCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(Br)c1 2081448354 LGAATKOUXIUDFA-GDGBQDQQSA-N 310.195 1.075 10 10 DDCE Oc1ccc(CCN[C@H]2C[C@H]3C[C@H]2CC32OCCO2)cc1O 2110734692 YFEQTHJHZYSXSC-MJBXVCDLSA-N 305.374 1.772 10 10 DDCE Cn1cc(NC(=O)c2ccc(O)c(O)c2)c(Br)n1 2223055786 NWAWPTWCQDSVEE-UHFFFAOYSA-N 312.123 1.846 10 10 DDCE O=C(N=c1[nH]c(Cl)ncc1Cl)c1ccc(O)c(O)c1 2227229180 XQYDPFHHTBQKOJ-UHFFFAOYSA-N 300.101 1.869 10 10 DDCE CCC[C@@H](NC(=O)NCc1cnc(SC)s1)C(=O)O 2269119211 PXDPYGSZZRWNMW-MRVPVSSYSA-N 303.409 1.918 10 10 DDCE CSc1ncc(CN2C(=O)[C@@H]3CCCN3C(=O)[C@H]2C)s1 2284665188 KBJDMXKANGYVMS-SCZZXKLOSA-N 311.432 1.587 10 10 DDCE CCCNCCNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2303704683 GUFHFNRMELCSLZ-UHFFFAOYSA-N 317.433 1.652 10 10 DDCE CCOC1=NN(c2ccccc2)C(=O)/C1=C/NCC(=O)OC 102662818 YMKVYCFQDHQVHD-FMIVXFBMSA-N 303.318 1.030 10 10 DDCE CCCn1c(SCC(=O)Nc2ccc(N)cc2)n[nH]c1=O 59952798 CQHCVJQLZCGNQZ-UHFFFAOYSA-N 307.379 1.294 10 10 DDCE CC[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1O 400051576 VAAGZUSFEJACSZ-PRHODGIISA-N 307.306 1.133 10 10 DDCE CCS(=O)(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3)CC1 62575860 YYVSKEUFSCZGJT-UHFFFAOYSA-N 323.418 1.043 10 10 DDCE CCCCNC(=O)NC(=O)[C@H](C)N(C)Cc1ccccc1O 171936821 VDXCYTXMKJMVIP-LBPRGKRZSA-N 307.394 1.838 10 10 DDCE CC(C)C(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3C)CC1 62575700 VMFNEQXZBVKPHR-UHFFFAOYSA-N 315.417 1.900 10 10 DDCE CN(Cc1cc(F)ccc1O)[C@H]1CC[C@@H](S(C)(=O)=O)C1 2361664398 IEMGQJRTTNHWHL-QWHCGFSZSA-N 301.383 1.929 10 10 DDCE CCS(=O)(=O)N(C)Nc1nc(CCCC(=O)O)c(C)s1 2365341816 PYTRLMDOMZIYSR-UHFFFAOYSA-N 321.424 1.467 10 10 DDCE COC(=O)[C@@H]1C[C@@]1(N)c1cc(Br)cc(OC)c1O 1952955206 USDPZHYHFIVXKR-QPUJVOFHSA-N 316.151 1.510 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc2nc(C(F)(F)F)cn2c1 808537759 SMHYYPJOBRDACG-UHFFFAOYSA-N 314.219 1.668 10 10 DDCE CCN(C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(OC)cc1 801522640 XWAAHGPVLDTNCU-CYBMUJFWSA-N 312.435 1.803 10 10 DDCE CN1C[C@@H]2[C@H](CCN2Cc2ccc(N3CCOCC3)cc2)C1 814173115 GGXAZBPYYUZVSC-SJLPKXTDSA-N 301.434 1.659 10 10 DDCE C[C@@H](NCC1(S(N)(=O)=O)CCC1)c1ccc(F)cc1O 721580216 YETUOFJJILGABN-SECBINFHSA-N 302.371 1.393 10 10 DDCE CCN1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1=O 588561306 LRMKCGQYFSHMKK-ALCCZGGFSA-N 304.346 1.192 10 10 DDCE CN(C)c1ccc(/C=C\CNCCS(=O)(=O)N(C)C)cc1 835055480 KSKOHYAONHMUBI-WAYWQWQTSA-N 311.451 1.247 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NCC[C@]1(O)CCOC1 845453449 RWGBSFUSFXENMH-KRWDZBQOSA-N 322.405 1.855 10 10 DDCE Cn1cc(CC2CN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)cn1 912759223 UDNYYETUDOXKSH-HYXAFXHYSA-N 313.357 1.546 10 10 DDCE COC(=O)[C@H](NCc1ccc(N(C)C)cc1C)c1ccnn1C 843430496 YBNQCZQSHKTKLA-MRXNPFEDSA-N 316.405 1.798 10 10 DDCE CCN1CC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O 849356913 HUVPVVWTYKTLQG-ZDUSSCGKSA-N 303.362 1.558 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NCC[C@]2(O)CCOC2)c1 845451900 AAXZOYJDFVKLIZ-ZBEGNZNMSA-N 324.377 1.303 10 10 DDCE CCOCc1cc(CNCC[C@@]2(O)CCOC2)ccc1OC 846049007 KYJSANKSLXQHMU-QGZVFWFLSA-N 309.406 1.863 10 10 DDCE CC[C@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C(=O)OC 855223158 BXPTWACBWKOSHJ-IUODEOHRSA-N 320.389 1.589 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cnc(S)[nH]3)C2)cc1 855224161 DZFUVRZOPLWYIJ-SNVBAGLBSA-N 318.402 1.716 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1cnnn1C 854947696 DMHFMPJJQKWLIS-CYBMUJFWSA-N 315.421 1.479 10 10 DDCE CN1CCCc2cc(CNC(=O)c3cc(C=O)n(C)n3)ccc21 931152209 KQRDBIQOJOYQJM-UHFFFAOYSA-N 312.373 1.545 10 10 DDCE CCn1cc([N+](=O)[O-])c(C(=O)NCc2cc(C)ccc2O)n1 862757577 YZIXZTFPMPEBFZ-UHFFFAOYSA-N 304.306 1.755 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@](C)(CO)CC(=O)O)cc1 1119615055 DPVSSBHGVYIKBX-VGOKWCNXSA-N 306.406 1.829 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1C[C@@H]1C 1117084310 LTPQJPRQEHPWRO-DZGCQCFKSA-N 317.433 1.873 10 10 DDCE COC(=O)c1ccc(CNC(=O)c2cccc(O)c2O)cc1 776328551 UGUDGLDNRWNUSE-UHFFFAOYSA-N 301.298 1.814 10 10 DDCE COC(=O)[C@@H]1CCCN1c1ccc(CN2CCOCC2)cc1 71702292 HFWGGSFLGXUULF-INIZCTEOSA-N 304.390 1.661 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)c1cccnc1C(N)=O 787378488 YIQFIQWWZHTDIT-UHFFFAOYSA-N 312.373 1.485 10 10 DDCE CO[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 897503944 DCGISBJHQLHPSZ-ZDUSSCGKSA-N 309.343 1.757 10 10 DDCE COC(=O)/C=C/c1ccc(N2C[C@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 788078041 SVCOATHQUCXADB-BMXCINDRSA-N 306.318 1.741 10 10 DDCE CNc1c(C(=O)NCc2c(O)cccc2O)cccc1[N+](=O)[O-] 1156886349 ZPCFEPFFWHIMIY-UHFFFAOYSA-N 317.301 1.978 10 10 DDCE CCCn1cc(S(=O)(=O)N(C)CCCN=[N+]=[N-])nc1C 1912148954 ZWHJKIGVCXZOLY-UHFFFAOYSA-N 300.388 1.922 10 10 DDCE CON1CCN(c2ccc(CO)c(Br)c2)CC1 1915591919 HYXONJYBKCWGGU-UHFFFAOYSA-N 301.184 1.625 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1COc2ccccc2O1 1440919226 UDXDOACKUBKKMN-GFCCVEGCSA-N 315.325 1.597 10 10 DDCE C[C@@H]1CN(C(=O)/C=C\c2cn(C)cn2)c2ccccc2C(=O)N1 1520657508 QHRPRWOPDPUVNW-QDZRJHCZSA-N 310.357 1.598 10 10 DDCE CNCc1cc(F)c(N2CCS(=O)(=O)C[C@H]2C)c(F)c1 228798367 UOVMAOSCHIDTHF-SECBINFHSA-N 304.362 1.308 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@H](O)Cc1ccccc1Cl 1638356735 NDHHMINBBSUROL-OAHLLOKOSA-N 321.760 1.971 10 10 DDCE COc1ccc(CN[C@H]2C[C@H](NC(=O)CCN(C)C)C2)cc1C 1731452770 RXJHLTYRLYAFFN-WKILWMFISA-N 319.449 1.692 10 10 DDCE CS(=O)(=O)c1ccccc1CNC(=O)c1cccc(O)c1O 1142292960 WYFNGQQZYOCNEC-UHFFFAOYSA-N 321.354 1.431 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)N2CC(N=[N+]=[N-])C2)=C[C@@H]1O 1896287113 PAIQYTUUKVAOFF-MNOVXSKESA-N 323.353 1.092 10 10 DDCE CCS(=O)(=O)N1CCN(c2ccc(CO)cc2Cl)CC1 2143488784 UQYJRTHAMIMOEW-UHFFFAOYSA-N 318.826 1.304 10 10 DDCE C[C@H](CO)CS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 2183510773 RKCRORVHNBQTKJ-GFCCVEGCSA-N 300.424 1.143 10 10 DDCE CN(CC1(S(C)(=O)=O)CC1)c1ccc(CN)cc1Cl 2111528177 LLAFSIXASMQWAH-UHFFFAOYSA-N 302.827 1.812 10 10 DDCE CCOC(=O)c1nc(CNCc2cnc(SC)s2)no1 2284541361 LEZIYAXKTKONQX-UHFFFAOYSA-N 314.392 1.715 10 10 DDCE CCn1ncc(C=C2SC(N3CCN(C)CC3)=NC2=O)c1C 2297571032 MMIJEHPPEUXLDZ-UHFFFAOYSA-N 319.434 1.429 10 10 DDCE NC(=O)c1ccc(C=CC(=O)NCc2ccc(O)c(O)c2)cc1 2301402069 INABSLKDPINQPX-UHFFFAOYSA-N 312.325 1.526 10 10 DDCE NC(=O)c1cccc2c1CCCN2C(=O)/C=C\c1cnccn1 491119997 PSSTTYXTZQDFDB-SREVYHEPSA-N 308.341 1.568 10 10 DDCE Cc1ccc(CN2CCO[C@@H](CO)C2)c(O)c1Br 2327620782 GWNNVMPTUKQAJS-LLVKDONJSA-N 316.195 1.656 10 10 DDCE COc1cccc(CNC(=O)[C@@H](C)NC(=O)c2ccco2)c1O 105652922 CSDPXIAOJPXFOD-SNVBAGLBSA-N 318.329 1.429 10 10 DDCE NC(=O)CC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2O)C1 170915304 PEDLPNKQPNXDFJ-NSHDSACASA-N 307.350 1.778 10 10 DDCE COc1ccc(N2CCN(C)CC2)cc1NC(=O)[C@@H]1CCCO1 74586777 WDDYHWWOCDQOHF-INIZCTEOSA-N 319.405 1.565 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC[C@@H]2CCCCO2)cc1 70490794 BXWKTQVBSYMMQT-AWEZNQCLSA-N 314.407 1.136 10 10 DDCE COc1cc(O)c(CN2CCO[C@@H](C(F)F)C2)cc1OC 193435420 NHQYFEOSBWMSDO-CYBMUJFWSA-N 303.305 1.875 10 10 DDCE CCn1ccnc1CNC(=O)NCc1ccc(OC)cc1O 836570253 BBCHXOXSHYIMKG-UHFFFAOYSA-N 304.350 1.617 10 10 DDCE CN(C)c1ccc(/C=C\CN(C)[C@H]2CCS(=O)(=O)C2)cc1 835026327 UYVLJINZZIAWOP-AWFCHZOYSA-N 308.447 1.885 10 10 DDCE COc1cccc(CNS(=O)(=O)[C@@H]2CCO[C@H](C)C2)c1O 849377473 YQUBZRJTZWVJNB-ZYHUDNBSSA-N 315.391 1.388 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@]2(CCSC2)C1 843946398 NFIBFJQRTSEERI-OUMXJLHTSA-N 321.398 1.846 10 10 DDCE Cc1cccc(CN2CCO[C@]3(CCS(=O)(=O)C3)C2)c1O 843426338 TVNWFARLEYCZPK-OAHLLOKOSA-N 311.403 1.090 10 10 DDCE COC1(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 843537564 XOQMIQXBEJRULM-ZDUSSCGKSA-N 304.390 1.879 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC(=O)C3)C2)cc1 855223998 JTAUYNNRRXDYIM-OLZOCXBDSA-N 302.374 1.759 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)CCCN)C2)cc1 851665920 FRLRIOANOWJQHU-ZIAGYGMSSA-N 320.437 1.701 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCNCC3)C2)cc1 852900004 GHGUWOUUSCQRGL-CABCVRRESA-N 317.433 1.780 10 10 DDCE CO[C@@H]1COCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1O 868666695 HKBYBJGJVSELIQ-YWPYICTPSA-N 308.378 1.804 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NCC[C@H](O)C(F)F)c1 866442324 JQVHCBGIIZLRKT-PELKAZGASA-N 303.305 1.846 10 10 DDCE NS(=O)(=O)C[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 769383774 ISFATYKYKMLMMH-JTQLQIEISA-N 318.826 1.546 10 10 DDCE COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C)o1 775287315 YZHHMRLFSKXLGC-UHFFFAOYSA-N 311.315 1.881 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cccnc2C(N)=O)cc1F 787268271 RWDADXLCJUQUFZ-UHFFFAOYSA-N 316.336 1.316 10 10 DDCE CNC(=O)C1(NCc2ccc(N(C)C)c(F)c2)CCOCC1 895884254 IDPPMWAKCWBAQM-UHFFFAOYSA-N 309.385 1.277 10 10 DDCE Cc1ccc(O)c(CNCc2nc(Br)nn2C)c1 895391997 IXMQAOGEGSAXEL-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE COc1ccccc1[C@@H](O)CNC(=O)c1ccc(C)c(O)c1O 780969960 VTTZROZVIAGGNN-ZDUSSCGKSA-N 317.341 1.878 10 10 DDCE CN1CCC[C@@H]2CN(C(=O)Cc3ccc(O)c(O)c3)CC[C@@H]21 1137305495 LWVWFNDQWWOTLZ-KGLIPLIRSA-N 304.390 1.583 10 10 DDCE Cc1cccc(-n2c(C)cc(C(=O)NC[C@@](C)(O)CO)c2C)c1 798264846 ZOTDKXGEIPPOAM-GOSISDBHSA-N 316.401 1.876 10 10 DDCE C[C@@H](C(=O)NCc1c(O)cccc1O)N(C)CC(F)(F)F 1178910547 FWGQKFDNJZKBKT-QMMMGPOBSA-N 306.284 1.597 10 10 DDCE COc1ccc(CNC[C@H](O)CN(C)C(=O)C(F)F)cc1C 1332470870 LETJNCJWCPYTCT-LBPRGKRZSA-N 316.348 1.178 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 1912161870 OIGFRSBIBYYEHO-WDEREUQCSA-N 300.384 1.503 10 10 DDCE Cc1ccc(C(=O)NCc2ccc(CCO)cc2)c(O)c1O 1456935234 KWHCZRMEEDWCPS-UHFFFAOYSA-N 301.342 1.871 10 10 DDCE Cc1occc1C(=O)NCC(=O)NCc1cccc(Cl)c1O 1472316960 OWLCZRAOONYJNN-UHFFFAOYSA-N 322.748 1.993 10 10 DDCE CN(CC(F)F)C1CCN(C(=O)c2cccc(O)c2O)CC1 1618813722 ORNSKISRHPGVKO-UHFFFAOYSA-N 314.332 1.899 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC2CCC(C(N)=O)CC2)cc1 1565652659 NTHZCNYNCYVJJC-UHFFFAOYSA-N 317.349 1.623 10 10 DDCE CCCOc1ccnc(CC(=O)NCc2ccccc2O)n1 1595792335 GBWIQBJCZZQZLA-UHFFFAOYSA-N 301.346 1.830 10 10 DDCE CC(C)NCc1ccc(N2CCOC[C@H]2C(N)=O)c(Cl)c1 159015540 FWZXSYQKZJOAOY-AWEZNQCLSA-N 311.813 1.529 10 10 DDCE CNCc1ccc(N(C)C[C@H](O)COC)c(Br)c1 234405788 OVUSJLTTYJPAJA-NSHDSACASA-N 317.227 1.612 10 10 DDCE CCOc1cccc(CNCCC(=O)O[C@H](C)COC)c1O 1857869416 CLNPGXYRGHULAG-GFCCVEGCSA-N 311.378 1.849 10 10 DDCE Oc1cccc(F)c1CN(Cc1ccccc1)CC1(O)CNC1 1976876829 FRQXKCUCZBBSHF-UHFFFAOYSA-N 316.376 1.868 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1ccc[nH]1)C(=O)NCCN=[N+]=[N-] 1985094300 MWHAXHHJSAULIZ-LLVKDONJSA-N 322.369 1.877 10 10 DDCE CNCc1ccc(N2C[C@@H]3C(CO)[C@H]3C2)cc1Br 2030272194 GHMUFCOOSJPGPK-RYUDHWBXSA-N 311.223 1.843 10 10 DDCE Oc1cc(CCNCc2cccc(Br)c2O)[nH]n1 391413127 WLOGOZZMZSOBQD-UHFFFAOYSA-N 312.167 1.916 10 10 DDCE Cc1cc(O)n2ncc(C(=O)Nc3cn(C)nc3C3CC3)c2n1 2063359099 BOQQVOFYAFDEGH-UHFFFAOYSA-N 312.333 1.607 10 10 DDCE CNCc1ccc(N2CC(n3ccnn3)C2)cc1Br 2113831914 HTQBJAMTPONGPA-UHFFFAOYSA-N 322.210 1.821 10 10 DDCE COc1ccc(N2CC(O)(CO)C2)c(OC)c1Br 2219381995 LXHVIEBFEQACLE-UHFFFAOYSA-N 318.167 1.010 10 10 DDCE CO[C@@H]1CCN[C@H](C(=O)NCc2cnc(SC)s2)C1 2269093674 DRFXMDSPQNLPKH-SCZZXKLOSA-N 301.437 1.248 10 10 DDCE CCNC1CC(S(=O)(=O)NCc2cnc(SC)s2)C1 2269099108 NTUHYHQRQAQOIP-UHFFFAOYSA-N 321.493 1.425 10 10 DDCE CSc1ncc(CNC(=O)c2cn(CCCN)cn2)s1 2284630550 OYMPCUONARBAEM-UHFFFAOYSA-N 311.436 1.340 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@@H](Sc2ncc(C(=O)O)s2)C1 2319418409 OTPJBIIJJYGVRE-RNFRBKRXSA-N 307.418 1.899 10 10 DDCE CCCNS(=O)(=O)N1CCc2cc(N3CCCC3)ccc21 62526102 VBXOOCALWMFUBX-UHFFFAOYSA-N 309.435 1.894 10 10 DDCE Cc1nc(CN(C)C[C@@H](O)COc2ccc(N)cc2)cs1 44595035 YUOILKTUVXJLRL-CQSZACIVSA-N 307.419 1.905 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C[C@@H](C)N1C 228815180 KNVKZWXDSAPIKZ-RFXMVYNHSA-N 308.813 1.821 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCCC(=O)N1 194470209 ORHLHWDAZMIVJG-JQWIXIFHSA-N 306.362 1.204 10 10 DDCE Oc1ccc(CNCCn2cc(Br)cn2)c(O)c1 381210138 UIKQXHBWKBCITJ-UHFFFAOYSA-N 312.167 1.847 10 10 DDCE O=C1C[C@@H]([C@H]2CCCCN2Cc2cc3c(cc2O)OCO3)CN1 92105880 BLWAISMSIJGESU-DGCLKSJQSA-N 318.373 1.612 10 10 DDCE CCCOc1ccc(CN(CCOC)[C@@H](C)C(N)=O)c(O)c1 93138958 INXFFWODPUPRNK-LBPRGKRZSA-N 310.394 1.503 10 10 DDCE COc1cc(Cl)cc(CN2CC[C@H](OC)C[C@H]2CN)c1O 252876159 WXSOGRSSJIDVAG-STQMWFEESA-N 314.813 1.992 10 10 DDCE COC(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 278312383 XDHZFYJSCVRLDK-JTQLQIEISA-N 310.306 1.304 10 10 DDCE COC[C@@H](O)CN[C@H](C)c1cc(Br)c(F)cc1O 802311027 IAUDFKHYINIXQE-SFYZADRCSA-N 322.174 1.952 10 10 DDCE CCN(CC)c1ccc(CN(C)C[C@@](C)(O)C(=O)OC)cc1 808706391 IZSCSLLVOUWYRG-QGZVFWFLSA-N 308.422 1.889 10 10 DDCE CCOc1ccc(O)c(CN2CC[C@H](CS(C)(=O)=O)C2)c1 292677793 AKGHIJAMQCCUFD-LBPRGKRZSA-N 313.419 1.657 10 10 DDCE COC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 734687015 BOTXCASDMPREKD-CQSZACIVSA-N 319.405 1.766 10 10 DDCE COc1ccc(N2CCCN(C(=O)Cc3ccon3)CC2)cc1 740740860 CBHBVTIGUIETGO-UHFFFAOYSA-N 315.373 1.965 10 10 DDCE CCO[C@@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@H]1CN 844903646 IZGLQQONIUIRKW-ZWNOBZJWSA-N 302.777 1.980 10 10 DDCE CCn1ncc(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 850347692 VYQSYCWZQCNSFJ-CYBMUJFWSA-N 301.394 1.675 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCC3CSC3)C2)cc1 923186800 VIESCMWMWMVAAA-ZDUSSCGKSA-N 321.446 1.936 10 10 DDCE CCn1cc(CC(=O)NCc2ccc(N(C)C)c(F)c2)nn1 931146581 GXJOMVAZDMROTP-UHFFFAOYSA-N 305.357 1.362 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)CCc1nn[nH]n1 868110171 VAUSLLPUPUSEDI-UHFFFAOYSA-N 303.366 1.667 10 10 DDCE NC(=O)COC1CCN(Cc2cc3c(cc2O)CCC3)CC1 1116221997 QQUCEUSHGCCONH-UHFFFAOYSA-N 304.390 1.347 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNc2ccc(N)cc2)C1 1959359582 MODUOEYVQSACPF-RISCZKNCSA-N 307.394 1.909 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1cnn(C)c1 773760537 AWXRLBXNJRRIML-NSHDSACASA-N 317.389 1.856 10 10 DDCE CCN(CCO)CCNC(=O)c1cc2cc(O)c(O)cc2s1 897415911 LOJJEYKLPANHBW-UHFFFAOYSA-N 324.402 1.357 10 10 DDCE O=S1(=O)CCC[C@@H](NCc2ccc(F)c(F)c2O)CC1 703394267 JZRXKSCYVCVFGY-SNVBAGLBSA-N 305.346 1.727 10 10 DDCE Oc1cc(Br)ccc1CNCC[C@@]1(O)CCOC1 691407127 MRSJDGUSYLBPEC-CYBMUJFWSA-N 316.195 1.786 10 10 DDCE O=C(NCc1c(O)cccc1F)c1ccc(-n2ccnc2)nn1 1303878142 LUORHQSCLHKUPP-UHFFFAOYSA-N 313.292 1.437 10 10 DDCE NC(=O)CC1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCCCC1 1304854092 YFTUIFJUBYJMSH-FNORWQNLSA-N 318.373 1.806 10 10 DDCE O=S1(=O)C[C@H]2[C@H](CNCc3c(O)cccc3Cl)[C@H]2C1 2117987413 ICLGZZVBHAZVGY-UIKWRGBMSA-N 301.795 1.426 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC1C[C@@H]2C[C@H]2C1 1328082508 XCNGNAIIDGFFIA-KBPBESRZSA-N 315.417 1.592 10 10 DDCE CC[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1329344451 MMXUUGGFYXESSM-LBPRGKRZSA-N 302.374 1.883 10 10 DDCE O=C(NCCN1CC=CC1)c1cc2cc(O)c(O)cc2s1 1332052589 GMTODHUGMPVIIU-UHFFFAOYSA-N 304.371 1.914 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@H]2CCCS(=O)(=O)C2)C1 1912187165 IGKNKHXMONPBGV-QWRGUYRKSA-N 300.384 1.360 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC[C@@H](CN=[N+]=[N-])C1 1912149379 FSSPXULJRDJIAA-SDDRHHMPSA-N 302.400 1.211 10 10 DDCE CN(c1ccc(CN)c(Br)c1F)C(C)(C)C(N)=O 1915537683 PXAOIBLMXSEFSY-UHFFFAOYSA-N 318.190 1.747 10 10 DDCE CCc1nc2c(C(=O)NCc3ccc(O)c(O)c3)ccnc2[nH]1 1445902828 SUUWFQMFXBGNSV-UHFFFAOYSA-N 312.329 1.862 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](O)CCSC 1449128618 YJOICXFXMSNGET-JTQLQIEISA-N 304.408 1.608 10 10 DDCE Cc1ccc(C(=O)NCCc2csc(N(C)C)n2)c(O)c1O 1292664786 JCXSZPVDXCOIIY-UHFFFAOYSA-N 321.402 1.901 10 10 DDCE C[C@H](NC(=O)c1ccc(-n2ccnc2)nn1)c1ccccc1O 1471194388 JVWFZOSOVQVZCQ-NSHDSACASA-N 309.329 1.859 10 10 DDCE Cc1nc([C@@H]2CCN(C(=O)c3c(F)ccc(O)c3O)C2)n[nH]1 1611446543 DLLSBGWRWBYQOG-MRVPVSSYSA-N 306.297 1.293 10 10 DDCE Cc1nncn1CCNC(=O)c1cc2cc(O)c(O)cc2s1 1629640642 HCTBURDZGRXRJB-UHFFFAOYSA-N 318.358 1.642 10 10 DDCE COC(=O)C12CC(CN1C(=O)c1ccc(N=NC(N)=O)cc1)C2 1557390312 OKKAZJXLRAPQQD-UHFFFAOYSA-N 316.317 1.627 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2c(O)cccc2O)cn1 1635842934 BCSQDDHNWOPWTH-UHFFFAOYSA-N 302.286 1.209 10 10 DDCE CC(=O)N1CCN(c2ccc(CN)cc2C(F)(F)F)CC1 163659230 YGKSPDMHSHOION-UHFFFAOYSA-N 301.312 1.833 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1cc(O)c(O)c(O)c1 1951374413 FGGFVVHRLDQKNJ-QMMMGPOBSA-N 313.306 1.844 10 10 DDCE CCOC(=O)[C@H](N)c1cc(I)ccc1O 1951385592 NYKPZDCJOOOLKE-SECBINFHSA-N 321.114 1.560 10 10 DDCE CS(=O)(=O)N1CCC(Nc2c(N)cccc2Cl)CC1 36828234 HIXAJKYRBYIBEI-UHFFFAOYSA-N 303.815 1.758 10 10 DDCE COC[C@H]1CNCCN1Cc1ccc(Br)cc1O 2028139768 AMCBQMMRDRCKQA-GFCCVEGCSA-N 315.211 1.575 10 10 DDCE NCc1ccc(N2CC[C@H]3[C@H](C2)[C@@H]3CO)c(Br)c1 2032184915 LXQDZGCMEBLOSA-SDDRHHMPSA-N 311.223 1.972 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](CO)C2)c(Br)c1 316231675 BZCACIUMUGCOIL-ZDSQKVDBSA-N 315.211 1.258 10 10 DDCE O=S1(=O)C[C@H]2C[C@@H](NCc3cccc(Cl)c3O)C[C@H]2C1 2161132057 GSVZJCOMXBQCLD-ZSBIGDGJSA-N 315.822 1.958 10 10 DDCE C[C@H]1NC(=O)CC[C@@H]1NCc1ccc(Br)cc1O 691391924 NKDMCEROQWYRRW-KCJUWKMLSA-N 313.195 1.911 10 10 DDCE Oc1c(F)cc(Br)cc1CNCCn1ccnn1 715815494 XARVXHCWZWAFSA-UHFFFAOYSA-N 315.146 1.675 10 10 DDCE Cn1c(Cl)cnc1CNS(=O)(=O)Cc1ccc(N)cc1 393528883 UZQUTUAQLGAHGP-UHFFFAOYSA-N 314.798 1.275 10 10 DDCE CC[C@@H](C)N1CCN(C(=O)c2cnn3c(O)cc(C)nc23)CC1 2064334028 VAWQFOKIOBRHKV-GFCCVEGCSA-N 317.393 1.300 10 10 DDCE CCS(=O)(=O)NC1CN(c2ccc([C@@H](C)N)c(Cl)c2)C1 2165573383 UILJYEMJPYFUFR-SECBINFHSA-N 317.842 1.488 10 10 DDCE CN(CC(C)(C)F)S(=O)(=O)CCOc1ccc(N)cc1 2165893864 IVGRIILSQDSSQP-UHFFFAOYSA-N 304.387 1.657 10 10 DDCE C[C@H](O)c1cc(F)c(N(C)[C@H](C)CS(C)(=O)=O)c(F)c1 2194516660 JHSTWBXJVHWOSU-BDAKNGLRSA-N 307.362 1.887 10 10 DDCE CN(Cc1cnn(C)n1)c1ccc(CN)cc1Br 2052304060 LEGIWUFXPAVOKN-UHFFFAOYSA-N 310.199 1.673 10 10 DDCE OC[C@@H]1COCC[C@H]1NCc1cccc(Br)c1O 2072979217 YPXMQKUGWWKJJO-ZYHUDNBSSA-N 316.195 1.642 10 10 DDCE CSc1ncc(CNC(=O)[C@]2(CCF)CCNC2)s1 2269198800 IVMNRUMBPRALJC-GFCCVEGCSA-N 303.428 1.821 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2NCCSC2(C)C)s1 2269265013 HYJJHUMRTMTMLD-SECBINFHSA-N 317.505 1.965 10 10 DDCE COc1ccc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c(CO)c1 2236000609 AYCPBXJVAZZCDR-GHMZBOCLSA-N 301.408 1.445 10 10 DDCE CCn1nccc1C=CC(=O)NCCc1ccc(O)c(O)c1 2305628388 FWEZBVVQBXLSMP-UHFFFAOYSA-N 301.346 1.686 10 10 DDCE Cc1ccc(CN2CCOC[C@@H](N)C2)c(O)c1Br 2327789523 MWXNIVQNUUHBIK-NSHDSACASA-N 315.211 1.623 10 10 DDCE CN(C)c1ccc(CNC(=O)COC[C@H]2CCOC2)cc1F 117635424 WTNIESJFDCTHRN-ZDUSSCGKSA-N 310.369 1.561 10 10 DDCE CC(C)C(=O)N1CCN(c2ccc3c(c2)CC(=O)N3C)CC1 62575991 PFDVYSXKQVMKPU-UHFFFAOYSA-N 301.390 1.510 10 10 DDCE Cc1cccn(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1=O 186443083 CWDBTMPSMIHRFW-LBPRGKRZSA-N 316.357 1.315 10 10 DDCE NN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)SC1=S 212469877 MNAVCNCKEUJBTO-WEVVVXLNSA-N 310.356 1.225 10 10 DDCE N[C@H](Cc1ccc(O)c(O)c1)c1nc(CC(F)(F)F)no1 48798437 QDOBNMXAXHKYRK-SSDOTTSWSA-N 303.240 1.828 10 10 DDCE COc1cc(Cl)c(N2CC[C@@H](O)[C@H](O)CC2)c(OC)c1 2368103016 JVJXQZDZVJWKRM-VXGBXAGGSA-N 301.770 1.679 10 10 DDCE Cn1cc(CC(=O)NCc2cc(Br)ccc2O)cn1 804736725 YVZCZGUXPQJKAV-UHFFFAOYSA-N 324.178 1.747 10 10 DDCE C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@@H](CF)C1=O 806672337 ZKZBPWAUHYFANN-FZMZJTMJSA-N 321.352 1.474 10 10 DDCE O=C(NCc1cc(Br)ccc1O)c1ccc[n+]([O-])c1 804737856 RJRQKEPWCDVGIU-UHFFFAOYSA-N 323.146 1.718 10 10 DDCE CCOC(=O)C(=O)[C@@H](N)c1c([N+](=O)[O-])ccc(Cl)c1O 725388410 PBUQCGZTEGYQDG-QMMMGPOBSA-N 302.670 1.086 10 10 DDCE N[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)C(F)(F)F 827007878 FUMLPZBWXWGXAE-GFCCVEGCSA-N 301.312 1.793 10 10 DDCE C[C@@H](NC(=O)Cc1c(O)ncnc1O)c1ccc(N(C)C)cc1 907492256 HWAXEOWBCVCQJR-SNVBAGLBSA-N 316.361 1.374 10 10 DDCE COc1ccc(N2CC[C@@H](N3C(=O)[C@@H](C)N(C)C3=O)C2)cc1 849358313 VOGCNDDBKSIQBL-DGCLKSJQSA-N 303.362 1.556 10 10 DDCE C[C@@H]1CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CC(C)(C)O1 846240492 AZRFNJHIJFLQIE-SECBINFHSA-N 320.349 1.132 10 10 DDCE CC(C)OC[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 852785331 GWGBBRXZOXJGAX-INIZCTEOSA-N 305.422 1.655 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3nccc(C)n3)C2)cc1 855223728 HMWWUSPNSPDRFR-CYBMUJFWSA-N 312.373 1.802 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C)N(C)C)C2)cc1 852371420 GCIGFATVFQRWFT-UONOGXRCSA-N 320.437 1.523 10 10 DDCE CC(=O)N1CCO[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 935466538 ZILPJGYQNNYXSB-WBMJQRKESA-N 319.405 1.177 10 10 DDCE C[C@H](NC(=O)CC1(N)CC1)c1ccc(N2CCOCC2)cc1 852863347 UETDCKKQBSKFBZ-ZDUSSCGKSA-N 303.406 1.582 10 10 DDCE CN(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cn2)cc1 761834879 GMXLCZRLJIFBQG-UHFFFAOYSA-N 300.318 1.986 10 10 DDCE O=C1CC[C@@H](CC(=O)NCc2ccc3cccnc3c2O)CN1 862025015 KVVYPVDURYLQJM-NSHDSACASA-N 313.357 1.473 10 10 DDCE COC(=O)c1cc(OCC(=O)N(C)CC2CC2)ccc1N(C)C 865396435 TYCGODMFAISCMP-UHFFFAOYSA-N 320.389 1.786 10 10 DDCE COc1cccc(C[C@@H](O)C(=O)N2Cc3cccc(O)c3C2)c1 871204685 OZHROWQPASMFBH-QGZVFWFLSA-N 313.353 1.847 10 10 DDCE Cc1cc(O)ncc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 773745944 REIROIVFOVUCBR-JTQLQIEISA-N 302.330 1.868 10 10 DDCE C[C@@H](NC[C@@H](O)CN1CCN(C)CC1)c1ccc(N(C)C)cc1 775833314 BLABPDVKMDBWGV-CRAIPNDOSA-N 320.481 1.012 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@]23CCCC[C@H]2C3)c1 870533263 BSCNYHOYLIDXRD-ZUZCIYMTSA-N 324.402 1.826 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@]34C[C@@H](N)C[C@@H]3C4)CC2)cc1 870853815 IBTBGRIMLRGYSL-GLJUWKHASA-N 315.417 1.471 10 10 DDCE CC(C)CN1C[C@H](C(=O)N2Cc3cccc(O)c3C2)CC1=O 871199102 SGZMNFQSUBIXKD-CYBMUJFWSA-N 302.374 1.739 10 10 DDCE CC[C@@]1(O)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 777841398 JWFILQCBXQSHEO-CQSZACIVSA-N 307.306 1.277 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC1CCN(CC(F)F)CC1 1142613566 WXLZPWWKMUJMIB-UHFFFAOYSA-N 314.332 1.486 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)[C@]2(F)CCOC2)cc1C 1266964968 PJEGYQXNMOZLTB-GUYCJALGSA-N 324.396 1.727 10 10 DDCE Cc1cccc(N(CCC(N)=O)C(=O)/C=C/c2cn(C)cn2)c1 1360524058 SEFFATGHMHCCCX-VOTSOKGWSA-N 312.373 1.650 10 10 DDCE O=C(Cc1nc(C2CC2)n[nH]1)NCc1cc(Cl)ccc1O 1452936640 QNIGHZKZNNQKEE-UHFFFAOYSA-N 306.753 1.900 10 10 DDCE CC(C)(C)C[C@H](O)CNS(=O)(=O)Cc1ccc(N)cc1 226044904 YGCVXJXXGJAZEB-ZDUSSCGKSA-N 300.424 1.485 10 10 DDCE CCOc1cc(CNCC(=O)O)ccc1N1CCN(C)CC1 211951455 RQWKVPFMVLNNCF-UHFFFAOYSA-N 307.394 1.011 10 10 DDCE COC(=O)c1ccc(CC(=O)N[C@H](C)c2ccccc2O)cn1 1471196347 YXXLIPWRWLZKKY-LLVKDONJSA-N 314.341 1.994 10 10 DDCE CC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(OC)OC 1626893137 KTGOKOLRVDEASW-LLVKDONJSA-N 308.338 1.976 10 10 DDCE COC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1O 1625175918 PFQJZPPBTRNMIZ-UHFFFAOYSA-N 317.297 1.771 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCn3cncc3C2)cc1 1570611802 LKBVAULLAGVWAX-LBPRGKRZSA-N 312.333 1.790 10 10 DDCE O=C(C[C@@H]1NC(=O)c2ccccc21)NCc1c(O)cccc1O 1652625932 OHMNWBOLAPENOC-ZDUSSCGKSA-N 312.325 1.589 10 10 DDCE CCN1CC[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 1597089908 KIUIECOFXDXHGW-JKSUJKDBSA-N 318.417 1.994 10 10 DDCE O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1CCO 16904912 JWTCLYQFWSNUFG-YFHOEESVSA-N 305.384 1.756 10 10 DDCE CC(C)(C)NCc1ccc(N2CC(=O)NC(=O)C2)c(Cl)c1 164131819 GTUREEAMUBKSRC-UHFFFAOYSA-N 309.797 1.691 10 10 DDCE Nc1ccc(CCNC(=O)Cc2cn3ccsc3n2)cc1 152522454 HUWCELLKDFCDPJ-UHFFFAOYSA-N 300.387 1.879 10 10 DDCE NC[C@@H]1COCCN1Cc1cc(Br)ccc1O 1947616431 JJGWJLLYAXNTDW-LLVKDONJSA-N 301.184 1.314 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](NCc2ccc(F)cc2O)C1 294266225 OCNPXKOFLMUQFN-GFCCVEGCSA-N 302.371 1.045 10 10 DDCE C[C@H](NCc1cc(F)cc(F)c1O)c1nnc(CO)s1 2192611507 OVWYFDGRVOLNTC-LURJTMIESA-N 301.318 1.865 10 10 DDCE O=C1Nc2cc(N3CC[C@@H]3CF)c(Br)cc2[C@H]1O 2063218537 SYCUZTFYZTWOND-KSBSHMNSSA-N 315.142 1.983 10 10 DDCE C[C@H](N)c1cc(F)c(N(C)[C@H]2CCS(=O)(=O)C2)c(F)c1 2194715806 VEASPBQSZISLJU-WPRPVWTQSA-N 304.362 1.608 10 10 DDCE CSc1ncc(CNS(=O)(=O)CCCC(=O)O)s1 2256940148 LZOYOPDFCKQYMJ-UHFFFAOYSA-N 310.422 1.149 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@@H]2[C@@H](O)CO)c(Br)c1 2258332150 MONXRLAYWNBFKK-CKLFPEKLSA-N 316.195 1.434 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CCC[C@@H](CN)O2)s1 2269101704 VOZOOYYXDGNHJI-WPRPVWTQSA-N 301.437 1.378 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)O)s1 2284504945 QNWLKCRWFAMGLQ-CNUIFLNQSA-N 313.404 1.480 10 10 DDCE COC(=O)[C@]12C[C@H]1CN[C@H]2c1cccc(Br)c1O 2308894717 HFHFPJOLJCVCEY-LCHGKGQCSA-N 312.163 1.978 10 10 DDCE CN1CCCc2cc(CNC3CCN(C(N)=O)CC3)ccc21 122920182 YTUFFXRCWSQGRS-UHFFFAOYSA-N 302.422 1.702 10 10 DDCE CN(C)c1ccc(CNC(=O)NCc2cc(C(N)=O)co2)cc1 187018791 QGZRBVYKNYTERB-UHFFFAOYSA-N 316.361 1.444 10 10 DDCE CN(C(=O)CS(=O)(=O)C1CCCCC1)c1ccc(N)cc1 37686014 GNURYTKFHCNAOA-UHFFFAOYSA-N 310.419 1.979 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCO[C@]3(CCOC3)C2)c1O 185205420 AUBMJWAYYBVBST-MRXNPFEDSA-N 309.337 1.725 10 10 DDCE Cc1ccc(C(=O)N2CCN(Cc3ccon3)CC2)c(O)c1O 182515460 CELPCORHYZQXFF-UHFFFAOYSA-N 317.345 1.352 10 10 DDCE COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 242502935 BUTGSSRKCUUERJ-UHFFFAOYSA-N 307.327 1.980 10 10 DDCE CCOC(=O)C1(O)CCN(Cc2cc3c(cc2O)OCO3)CC1 271160251 AJJLAPUWDNWLMM-UHFFFAOYSA-N 323.345 1.011 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@]2(C)CCC(=O)NC2)cc1F 281731829 CUZUUNXJVCQIHV-MRXNPFEDSA-N 307.369 1.424 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@@H]23)cc1 800390884 VCVTXNVLABDQRB-SOGJNSHHSA-N 322.408 1.696 10 10 DDCE Cc1cc(Br)cc(CN2CCOC[C@H](O)C2)c1O 294794269 MGCHHCUMBQYOSY-GFCCVEGCSA-N 316.195 1.656 10 10 DDCE CN1C[C@@H]2CCN(Cc3ccc(N4CCOCC4)cc3)[C@H]2C1 814173116 GGXAZBPYYUZVSC-WMZOPIPTSA-N 301.434 1.659 10 10 DDCE Nc1ncc(S(=O)(=O)Nc2ccc(O)cc2[N+](=O)[O-])s1 722222707 GJVAZDZCKMKXMN-UHFFFAOYSA-N 316.320 1.140 10 10 DDCE CN(Cc1ccccc1O)C(=O)C1C[C@H]2CNC[C@@H](C1)C2=O 827205770 SJHODTATXXCMPM-AGUYFDCRSA-N 302.374 1.165 10 10 DDCE COc1cc(O)c(CNC[C@H]2CCCCN2CCO)cc1OC 824583729 PKOPKBUIEZUEQP-CQSZACIVSA-N 324.421 1.346 10 10 DDCE CC(C)(O)[C@@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 900405732 ZVLMSNDWQFOHLS-HNNXBMFYSA-N 306.406 1.425 10 10 DDCE CC1(C)CC[C@H](C(=O)N(CC(=O)O)Cc2ccccc2O)O1 911489593 SMNKDGDIEZTVFT-CYBMUJFWSA-N 307.346 1.763 10 10 DDCE Cc1cc(Cl)cc(CN2CCN([C@H]3CCNC3)CC2)c1O 843125169 YVPBTUTVOXLYPZ-HNNXBMFYSA-N 309.841 1.834 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@@H]2CCNC2)c1 841938010 FHPSEULHOZUPRP-NEPJUHHUSA-N 307.394 1.761 10 10 DDCE CN1CCCc2cc(CNS(=O)(=O)[C@H]3CCCNC3)ccc21 923602194 GOURRCZZHATVCY-HNNXBMFYSA-N 323.462 1.240 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cnc(C)cn3)C2)cc1 855234578 FOOSQDSUCIGBHA-ZDUSSCGKSA-N 312.373 1.802 10 10 DDCE COc1ccc(N2CCC(NC[C@@H](O)[C@@H]3CCCO3)CC2)cc1 858225468 GIDPTXVXQLDVBF-MSOLQXFVSA-N 320.433 1.794 10 10 DDCE CC[C@]1(C(=O)NCc2ccc3cccnc3c2O)CCNC1=O 868936382 BDNCSWXDCGUHDW-KRWDZBQOSA-N 313.357 1.473 10 10 DDCE CN(C)c1cc(F)c(CN2CCO[C@H](CC(N)=O)C2)cc1F 862535311 ISDDTZCLECCZDV-LLVKDONJSA-N 313.348 1.107 10 10 DDCE C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)N(C)C 895734494 JUUMABXKARHUJD-SSDOTTSWSA-N 308.359 1.519 10 10 DDCE CCOC(=O)[C@H](CCOC)NC(=O)/C=C/c1ccc(O)c(O)c1 799071380 JDYJBJBIFZAXOZ-PZBABLGHSA-N 323.345 1.195 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)cc1 1142737197 DVMPVRVRXIEFKE-SNVBAGLBSA-N 313.321 1.597 10 10 DDCE CCN(CCS(C)(=O)=O)c1cc(Cl)c(CN)cc1F 2120879001 GGQZMYOGMOVIGY-UHFFFAOYSA-N 308.806 1.809 10 10 DDCE C[C@H]1CN(C(=O)/C=C/c2cn(C)cn2)c2ccccc2C(=O)N1 1520657502 QHRPRWOPDPUVNW-GUOLPTJISA-N 310.357 1.598 10 10 DDCE C[C@H](O)[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCO1 1629765780 NXCVFHKWHDHWHT-JOYOIKCWSA-N 306.322 1.071 10 10 DDCE NC(=O)c1ccc(CC(=O)NCc2cccc(O)c2O)cc1 1558161236 JPPNUEKTMXBQOX-UHFFFAOYSA-N 300.314 1.056 10 10 DDCE CC(=O)Nc1ccc(CC(=O)NCc2ccc(O)cc2O)cc1 1557084821 PQTGRTAVCJQMSR-UHFFFAOYSA-N 314.341 1.915 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCCC3(C2)OCCO3)cc1 1596765312 QQNWDJFGBKWYFV-UHFFFAOYSA-N 318.333 1.828 10 10 DDCE CCCNC(=O)[C@H]1COCCN1c1ccc(CN)c(Cl)c1 159311616 XJSRMMRIJOFBAZ-CQSZACIVSA-N 311.813 1.530 10 10 DDCE OC[C@H](O)CCNCc1cc(Cl)cc(Br)c1O 1963627882 UDGSJTHWBDRHER-SECBINFHSA-N 324.602 1.641 10 10 DDCE CN(C[C@H]1COCCO1)c1ccc(CO)cc1Br 2027157078 AMPCHTGDAFRAMA-NSHDSACASA-N 316.195 1.793 10 10 DDCE O=C1C[C@@H](NCc2cc(Cl)cc(Br)c2O)CN1 708057317 TVPUDKPKUWBEFI-MRVPVSSYSA-N 319.586 1.786 10 10 DDCE Cc1ccc2c(c1)OCCN2C(=O)c1c[nH]nc1[C@H]1CCNC1 2062790581 SSOWYDMAOPJISG-LBPRGKRZSA-N 312.373 1.834 10 10 DDCE O=C(O)c1cnn(Cc2c(O)cccc2Br)c1O 2070584161 WIUPJRMWZQLKJA-UHFFFAOYSA-N 313.107 1.803 10 10 DDCE Nc1ccc(CN(C2CC2)S(=O)(=O)[C@H]2CC2(F)F)cc1 2168855231 PQMNIHYCWTZCAP-LBPRGKRZSA-N 302.346 1.971 10 10 DDCE CN(Cc1c(O)cccc1Br)C[C@@H]1COCCN1 2042376733 YWUZOMOMMKAPDQ-SNVBAGLBSA-N 315.211 1.575 10 10 DDCE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2cc(O)nc(O)c2)C1 2095715175 KNGYNOUNEQLHBN-MWLCHTKSSA-N 308.334 1.106 10 10 DDCE C[C@H]1C[C@]1(F)CNS(=O)(=O)CCOc1ccc(N)cc1 2206308856 YBEUUGQNIKSAAA-GWCFXTLKSA-N 302.371 1.315 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2225801329 UVSANHLFWWWZMR-YUMQZZPRSA-N 304.763 1.583 10 10 DDCE CSc1ncc(CNS(=O)(=O)CC2(CO)CC2)s1 2261221647 BIDMDMJFBCPFRO-UHFFFAOYSA-N 308.450 1.057 10 10 DDCE CSc1ncc(CNC(=O)CCc2c[nH]c(=N)s2)s1 2269088498 RSVKNLBEOXNKBK-UHFFFAOYSA-N 314.461 1.983 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2ccc(C=O)o2)s1 2269132876 GUEHZGJWGKDGCL-UHFFFAOYSA-N 318.401 1.749 10 10 DDCE CSc1ncc(CNC(=O)c2cc(C(=O)O)nn2C)s1 2284505357 UUMJTPHGUMYKLF-UHFFFAOYSA-N 312.376 1.227 10 10 DDCE Cc1ccc(CNC(=O)/C=C/C(=O)O)c(O)c1Br 2327585857 XVZIVSNLVLGHPB-SNAWJCMRSA-N 314.135 1.720 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)C[C@@H]3OCC[C@H]32)s1 2345034893 BESBLLSQVCGLQQ-VDDIYKPWSA-N 300.405 1.587 10 10 DDCE COc1cc2c(cc1OC)N([C@H](C)CN)CC1(CCNCC1)N2 75280788 BHCNHLNHRDPFRY-GFCCVEGCSA-N 320.437 1.405 10 10 DDCE COCc1nc(CN2CCOc3cc(N(C)C)ccc32)no1 182667939 DDJYPWUNYMNPPI-UHFFFAOYSA-N 304.350 1.681 10 10 DDCE CN(CC(=O)NC1CC1)c1ccc(CN)cc1Br 213039587 GKZFMBIABQOAER-UHFFFAOYSA-N 312.211 1.623 10 10 DDCE Cc1ccc(O)c([C@@H](C)Nc2cnn(CC(=O)NCCO)c2)c1 186508065 HAYMVYFZBJRUSZ-GFCCVEGCSA-N 318.377 1.179 10 10 DDCE CN1CCCN(Cc2cc(Br)ccc2O)CC1=O 191664683 MOSVLXNBSZABDQ-UHFFFAOYSA-N 313.195 1.819 10 10 DDCE CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 279296228 MXBOGGCWSDKLFF-SNVBAGLBSA-N 307.346 1.902 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F 808534729 RHUINVYQPZLKQQ-UHFFFAOYSA-N 317.200 1.511 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(Br)c1O 808515946 SHOJFYAMCPERPO-UHFFFAOYSA-N 301.092 1.470 10 10 DDCE NC(=S)C[C@H](NC(=O)c1ccc(O)c(O)c1)C(F)(F)F 2164543798 NSRPFHDEEYFRNH-QMMMGPOBSA-N 308.281 1.435 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccnc(OCc2ccccc2)c1 808508058 PSASDIWDTGIZII-UHFFFAOYSA-N 313.309 1.976 10 10 DDCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2COC(=O)N2)cc1 822269566 ROXVYXGRABBZQP-AWEZNQCLSA-N 305.378 1.600 10 10 DDCE NC(=O)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1F 588406417 QJKJCWHKFWSUQE-KXFIGUGUSA-N 316.288 1.988 10 10 DDCE C[C@@H](CNC/C=C\c1ccc(N(C)C)cc1)N1CCN(C)CC1 835037697 LHXMNAWEQCHXBU-OSJSJHBBSA-N 316.493 1.991 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@@]1(O)CCOC1 844993336 VSKWUPNSAZCAPQ-QGZVFWFLSA-N 321.421 1.402 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H](C(=O)O)C(C)C)C2)cc1 852955026 ZZXWVXNJBODMNA-SWLSCSKDSA-N 320.389 1.747 10 10 DDCE COC[C@H](CCNC(=O)NCc1c(O)cccc1F)OC 923187613 YFYUVYRVRXOXMD-JTQLQIEISA-N 300.330 1.382 10 10 DDCE Cc1noc(CCC(=O)NCc2ccc3cccnc3c2O)n1 862028654 GUWNNCCHQYUKKZ-UHFFFAOYSA-N 312.329 1.881 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)COCC(F)F)C2)cc1 862159663 VSKRXAVCIWQNDE-LLVKDONJSA-N 314.332 1.672 10 10 DDCE C[C@H]1CC(=O)N[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 866205547 FPHYVGNEXTVDSX-DGCLKSJQSA-N 317.389 1.393 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCO[C@@H](C(=O)C3CC3)C2)c1O 775927329 ICANNJMHORPHGH-OAHLLOKOSA-N 321.348 1.914 10 10 DDCE Cn1c(-c2ccccc2)cnc1SCc1nc(=O)n(C)[nH]1 779464880 YHGXEIGRHBGRDH-UHFFFAOYSA-N 301.375 1.801 10 10 DDCE C[C@@H]1C[C@@]2(CC[C@@H](CNCc3cc4c(cc3O)OCO4)O2)CO1 886334294 UTEKZEBKATZBRC-ZUCKAHLUSA-N 321.373 1.937 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2ncnn12 773744796 WFARBDWREDHEOJ-SNVBAGLBSA-N 312.329 1.502 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@](F)(CO)C1 897689302 BJHOEVPDBBKZHA-AWEZNQCLSA-N 311.334 1.859 10 10 DDCE CNC(=O)C(C)(C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1137661383 PKSJFJJXAUJTLM-UHFFFAOYSA-N 305.338 1.351 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1nnc(O)c2ccccc12 1142530004 KPOBTPMEDSJSPJ-UHFFFAOYSA-N 311.297 1.677 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2cccn3nnnc23)c1 1150542488 ASQPOUPOOMDNGF-VIFPVBQESA-N 313.317 1.330 10 10 DDCE C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[S@@]1=O 1154202074 WHAVVASQIHDRIT-STFLBKPXSA-N 322.390 1.832 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2CC[C@@H](C2)C1 1261608262 GVQJUANZNRMZES-STQMWFEESA-N 302.374 1.609 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)[C@]1([C@@H]2CCCCO2)CCCO1 1346697148 XMFAGRLESBWDMO-DOTOQJQBSA-N 321.373 1.832 10 10 DDCE CNC(=O)Cc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 1457533456 WPNNSGVTTNRHMT-UHFFFAOYSA-N 318.304 1.778 10 10 DDCE COC(=O)c1nn(C)c2c1CN(c1ccc(OC)cc1)CC2 212621504 SVUDSGKKQZETCJ-UHFFFAOYSA-N 301.346 1.778 10 10 DDCE Cc1nnc(N(C)Cc2ccccc2O)n1CCOCCCO 1612538490 ZAKLCHLIBKJBSM-UHFFFAOYSA-N 320.393 1.328 10 10 DDCE COC(=O)[C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1628257008 HSGCGIWATFVKGS-SECBINFHSA-N 306.322 1.730 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)CC(C)(C)O)cc1C 1713307794 VMLCFEMNJHOUHD-ZDUSSCGKSA-N 308.422 1.759 10 10 DDCE C[C@H](O)C[C@@H]1COCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1624863608 GXGQKWKWOJRAAZ-GXFFZTMASA-N 320.349 1.461 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)CCN(C)C)cc1C 1669388419 MYNQFECOQUQUBM-CQSZACIVSA-N 307.438 1.550 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)C2(C)CCC2)cc1C 1667870619 JRXAUCRMTYQWLQ-OAHLLOKOSA-N 320.433 1.761 10 10 DDCE CN(C)c1ccc([C@H](CNS(C)(=O)=O)N2CCCC2)cc1 5098938 QWRGWYJASFBKKV-HNNXBMFYSA-N 311.451 1.439 10 10 DDCE NS(=O)(=O)c1ccc(CNCc2cccc(F)c2O)cc1 164927457 BCVWEQVDLOUQFN-UHFFFAOYSA-N 310.350 1.469 10 10 DDCE CCCN(CCC(=O)O)C(=O)CNCc1cc(C)ccc1O 1857867753 AHMAGPATEXXXKS-UHFFFAOYSA-N 308.378 1.504 10 10 DDCE Cc1ccc([C@@H](C)N[C@H](C)CS(=O)(=O)N(C)C)c(O)c1 1967465462 MEVHJXYWQBUGHV-VXGBXAGGSA-N 300.424 1.631 10 10 DDCE Nc1ccc(OCC(=O)OCC(=O)NCc2ccccc2)cc1 320396929 UVSBYYZMBOJYAV-UHFFFAOYSA-N 314.341 1.507 10 10 DDCE O=C(O)[C@@H]1CCCN1S(=O)(=O)Nc1ccc(O)cc1Cl 689184285 LGEYUXRWKVXKFF-JTQLQIEISA-N 320.754 1.251 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2CCS(=O)(=O)[C@H]2C)c1O 380290515 FEKJGBZJVNZUGJ-GZMMTYOYSA-N 319.810 1.719 10 10 DDCE O=C(O)CN1CC(NCc2ccc(Br)cc2O)C1 2050201798 LKLILFBVFJZZMV-UHFFFAOYSA-N 315.167 1.013 10 10 DDCE N=c1cc(Br)[nH]c(=NCCc2ccc(N)cc2)[nH]1 2053526194 GXCNCILYWHRMFD-UHFFFAOYSA-N 308.183 1.310 10 10 DDCE COC(=O)[C@H]1C[C@H](NC(=O)NCc2cnc(SC)s2)C1 2284498164 IHAGDLAEAJJVEY-ZKCHVHJHSA-N 315.420 1.616 10 10 DDCE Cn1cnc(Br)c1C(=O)NCc1ccccc1O 2315540476 KEYRKVFVWBTPAW-UHFFFAOYSA-N 310.151 1.818 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)N[C@H](C)Cn1cncn1 66702349 YDOMYDWJEVSRQM-CYBMUJFWSA-N 317.393 1.994 10 10 DDCE C[C@@H](N)c1ccc(N2CCNC(=O)CC2)cc1Br 235218123 CLOWHXHQVADHMD-SECBINFHSA-N 312.211 1.795 10 10 DDCE CCOCCN1CCN(C(=O)c2ccc(C)c(O)c2O)C[C@@H]1C 182464502 SLCJQTOEUGXFCW-ZDUSSCGKSA-N 322.405 1.589 10 10 DDCE NCc1ccc(N(CCO)CC(F)F)c(Br)c1 231310099 UZESTWGXMIUAET-UHFFFAOYSA-N 309.154 1.972 10 10 DDCE Oc1cc2c(cc1CN1CCOC[C@H]1c1ncon1)OCO2 360636337 IODHMTVVMGCPBU-JTQLQIEISA-N 305.290 1.077 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1CCOc1ccc(N)cc1 90921599 OXGYMNPLWICXSD-ZDUSSCGKSA-N 316.448 1.067 10 10 DDCE COc1ccc2c(c1)CCCN2C[C@H]1CCN(S(C)(=O)=O)C1 801510417 RKXHVWZJJYAXJW-CYBMUJFWSA-N 324.446 1.729 10 10 DDCE CCOCc1nc([C@@H](C)NCc2cc3c(cc2O)OCO3)no1 290959029 RJWSUQUEZFRYGT-SECBINFHSA-N 321.333 1.891 10 10 DDCE CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc2cccnc2c1O 828635768 KGBNDAKSHGQMBI-DYVFJYSZSA-N 315.373 1.012 10 10 DDCE C[C@H](NC[C@@]1(CO)COCCN1C)c1ccc(Cl)cc1O 903277589 HVONZIWZCRMKHG-XHDPSFHLSA-N 314.813 1.389 10 10 DDCE CO[C@]1(C(=O)O)CCN(C/C=C\c2ccc(N(C)C)cc2)C1 901542361 ORRZEAQMGSLOMS-VGOKWCNXSA-N 304.390 1.941 10 10 DDCE CNC[C@@H]1CCCCN1CC(=O)NCc1ccc(N(C)C)cc1 903528733 SBNSGBDQSFSLLT-KRWDZBQOSA-N 318.465 1.443 10 10 DDCE COCCCOC1CN(Cc2ccc(N3CCOCC3)cc2)C1 839132947 HYLYPNGBKFZTRI-UHFFFAOYSA-N 320.433 1.761 10 10 DDCE CON1CCC(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CC1 831925437 XJRUSLIYGLBUFO-LBPRGKRZSA-N 322.405 1.809 10 10 DDCE CCO[C@H]1C[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 916093618 ALMACPLNKZALAJ-CVEARBPZSA-N 304.390 1.769 10 10 DDCE NC/C=C\CNC(=O)NCc1cccc(Br)c1O 841993924 BLGPDQDQLYBVHK-UPHRSURJSA-N 314.183 1.469 10 10 DDCE CCOCc1cc(CNC2CC(CC(N)=O)C2)ccc1OC 922513667 FVNIEDVZEOQCQP-UHFFFAOYSA-N 306.406 1.975 10 10 DDCE CN(C)CCn1ccc(C(=O)NCc2c(O)cccc2F)n1 928705571 JZMMOMHPBPAFAH-UHFFFAOYSA-N 306.341 1.219 10 10 DDCE COc1cc(C)cc(CN2CCC(N3CCNC3=O)CC2)c1O 754727041 HDDNMLGLNYXJMI-UHFFFAOYSA-N 319.405 1.699 10 10 DDCE O[C@H]1C[C@H]2CC[C@H]1N(Cc1ccc(N3CCOCC3)cc1)C2 931760711 KFAIHQTZHADYQB-NXHRZFHOSA-N 302.418 1.868 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@]2(CC(C)C)CCNC2=O)c1 869410973 PUQOGMLDOPCMIZ-KRWDZBQOSA-N 304.390 1.869 10 10 DDCE CC1(F)CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 1117452529 JFKTWPBROAGHCA-UHFFFAOYSA-N 317.364 1.249 10 10 DDCE CC(=O)c1cc(F)cc(Cn2cc([C@@H]3COCCN3)nn2)c1O 880996355 SNDGHLGVKOKIIH-AWEZNQCLSA-N 320.324 1.035 10 10 DDCE CCS(=O)(=O)[C@@H]1CSCCN1c1ccc(CN)c(C)c1 90927593 LNSLKKSTTJNOEA-CQSZACIVSA-N 314.476 1.768 10 10 DDCE C[C@H](CNCCCO)CNC(=O)c1ccc(N=NC(N)=O)cc1 1319285103 KPHXEXBCMLYZKT-LLVKDONJSA-N 321.381 1.187 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CSC2(C)C)cc1 1256885725 ITRQUIZLAQLIDG-CYBMUJFWSA-N 321.446 1.379 10 10 DDCE COC(=O)C[C@@H](NCc1ccc(N2CCOCC2)cc1)C1CC1 1354603050 YNIXZQBZEUEPAM-QGZVFWFLSA-N 318.417 1.955 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCN1CC[C@@H](F)C1 1467840288 NKVDBDSKFAHXBB-GFCCVEGCSA-N 315.385 1.928 10 10 DDCE COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1F 1466063472 LMKFAEZPPKEGRM-ZDUSSCGKSA-N 319.288 1.881 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1ccc2oc(O)nc2n1 1631434249 NJDLTTQDSDQOBO-UHFFFAOYSA-N 301.258 1.270 10 10 DDCE C[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)c2ncnn21 1640420032 RFVBDWMVCJWMLE-GZMMTYOYSA-N 313.321 1.876 10 10 DDCE CCCC(=O)N[C@H]1C[C@H](NC(=O)c2cc(OC)nc(OC)c2)C1 1578433882 WFIUTEWHQBRVFX-HAQNSBGRSA-N 321.377 1.276 10 10 DDCE C[C@H](NC(=O)c1ccc(S(C)(=O)=O)nc1)c1ccccc1O 1587451313 PJNJBCOGRKVWHI-JTQLQIEISA-N 320.370 1.682 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCN3C[C@@H](F)C[C@H]3C2)c1O 1660494852 JEWNKERSMGIUPW-KBPBESRZSA-N 310.344 1.962 10 10 DDCE CC[C@H]1C(=O)NCCN1c1ccc(CN)cc1C(F)(F)F 163715849 ASFOJVIWHXLCSV-NSHDSACASA-N 301.312 1.879 10 10 DDCE CNCc1ccc(N2CCO[C@H](CO)C2)c(C(F)(F)F)c1 163733261 POCYYMYDGTXOSR-NSHDSACASA-N 304.312 1.622 10 10 DDCE COCCN(CCOC)/N=N/c1ccc2c(c1)OCC(=O)N2C 1860487612 GQCXXRJLLUHQRO-WUKNDPDISA-N 322.365 1.635 10 10 DDCE CN1C(=O)COc2cc(NN=NCCN3CCOCC3)ccc21 1860494215 VOEWDWRMJBQFGL-UHFFFAOYSA-N 319.365 1.153 10 10 DDCE COc1cc(Cl)cc(CNC[C@@H]2C[C@@H](CO)CO2)c1O 1967895530 OXSMUGHYBVZDLV-CABZTGNLSA-N 301.770 1.541 10 10 DDCE Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(O)c1 1994458710 XMSPNTKLDWBLBB-HIFRSBDPSA-N 322.405 1.770 10 10 DDCE CCS(=O)(=O)[C@@H]1CCN(c2c(F)cc(CN)cc2F)C1 2179890096 HBXARAWZJABNKA-SNVBAGLBSA-N 304.362 1.437 10 10 DDCE CCS(=O)(=O)CCN(C)c1c(F)cc([C@@H](C)O)cc1F 2194519247 QQIBXRMFEWJSLZ-SECBINFHSA-N 307.362 1.889 10 10 DDCE NCc1ccc(N2C[C@@H](F)[C@@H](CO)C2)c(F)c1Br 2057002736 PTFPWOYSGBZKMC-RKDXNWHRSA-N 321.165 1.814 10 10 DDCE CNCc1ccc(N2CC(=O)NC[C@H]2C)cc1Br 2060845955 OKSQUBMYNDSSPY-SECBINFHSA-N 312.211 1.493 10 10 DDCE O=S1(=O)C[C@H]2CN(Cc3cc(Cl)ccc3O)C[C@@H]2C1 2087858338 LBFKVXGVWCROMG-GHMZBOCLSA-N 301.795 1.522 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCN1c1ccc(CN)c(Cl)c1 2094928530 XFVHGGSVRKCYNU-LBPRGKRZSA-N 302.827 1.812 10 10 DDCE CN(C)c1ccc([C@](C)(N)c2c(Br)nnn2C)cc1 2098361945 WTFAACOCLMEYPN-ZDUSSCGKSA-N 324.226 1.866 10 10 DDCE CCN1CCCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1=O 2311233712 LRMKCGQYFSHMKK-UHFFFAOYSA-N 304.346 1.192 10 10 DDCE CO[C@H]1COC[C@@H]1NCc1ccc(C)c(Br)c1O 2327798591 JPRIOWDAOFIZRV-QWRGUYRKSA-N 316.195 1.967 10 10 DDCE C[C@H](NCC1(C)OCCO1)c1ccc(N2CCOCC2)cc1 179565915 KFEOTGZPTUBCPF-AWEZNQCLSA-N 306.406 1.937 10 10 DDCE CN1C(=O)C[C@H](NCc2cccc(Br)c2O)C1=O 115260828 QGTGHRSOUPCPLS-VIFPVBQESA-N 313.151 1.002 10 10 DDCE C[C@@H](O)[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 301755946 DINNTMXDJHVXJZ-ZJUUUORDSA-N 321.333 1.523 10 10 DDCE CCN(CC)[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 62975650 HGHCQGNKEAMGMG-HNNXBMFYSA-N 311.451 1.515 10 10 DDCE COc1ccc(CN2CCC(c3nncn3C)CC2)c(O)c1 91795779 YCCJVFZVNRRRBS-UHFFFAOYSA-N 302.378 1.909 10 10 DDCE CCOC(=O)c1nn(C)cc1CNCc1cccc(OC)c1O 289386176 DDVKXEBJLTXCDA-UHFFFAOYSA-N 319.361 1.601 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(OCC(F)(F)F)cc1 808501261 HEYGGLGFYFFPCB-UHFFFAOYSA-N 304.220 1.943 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CCN(C)C2)cc1 824209244 ZGBYCOPCRFDGMH-OAHLLOKOSA-N 319.449 1.932 10 10 DDCE Oc1c(Br)cccc1CN1CCOC[C@H](O)C1 824624990 DGAKOPVRYLUYOL-SNVBAGLBSA-N 302.168 1.348 10 10 DDCE CCN(CC)c1ccc(CNC(=O)CCOC2CNC2)cc1 827341248 YPYJVMFHERRUFH-UHFFFAOYSA-N 305.422 1.528 10 10 DDCE Cc1nccn1CC(=O)N1CCOc2ccc(N(C)C)cc2C1 581789810 QDLKMURNQFGIRY-UHFFFAOYSA-N 314.389 1.679 10 10 DDCE NC[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)C(F)(F)F 848716415 YZPZXGPLXDWTOC-QMMMGPOBSA-N 313.663 1.933 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 845452742 YJXLOCRKQCCEFB-OKILXGFUSA-N 318.421 1.548 10 10 DDCE COc1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2)c(O)c1 843499493 IARARXJLBXIOLO-DFBGVHRSSA-N 304.390 1.938 10 10 DDCE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCc2ccccc2O)CC1=O 750639910 XVWNIIQJJRAWCG-RAIGVLPGSA-N 303.362 1.201 10 10 DDCE C[C@H]1CN(C)C[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 756099094 FOSGTOUROJCRDR-KXBFYZLASA-N 317.477 1.935 10 10 DDCE COc1ccc(N2CC[C@@H](Nc3nccn4nnnc34)C2)cc1 853759433 UOZREENFGIHXOD-LLVKDONJSA-N 311.349 1.219 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2[C@@H]3C[C@@H]4[C@@H]2OC[C@@H]4C3)cc1 866073155 XSDDUTKTHNAARG-AYIQCDPPSA-N 315.417 1.975 10 10 DDCE CNS(=O)(=O)CCCNC/C=C\c1ccc(N(C)C)cc1 865706190 OTZJUBAOPFCPQF-XQRVVYSFSA-N 311.451 1.295 10 10 DDCE C[C@H](N[C@@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1 764629208 LHBGLLBUSFDDTH-XJKSGUPXSA-N 303.406 1.452 10 10 DDCE CC(C)(C)OC(=O)COCCNC(=O)NCc1ccccc1O 868887779 OOSHLYQPFNNJRW-UHFFFAOYSA-N 324.377 1.550 10 10 DDCE CC(C)[C@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@@H]1C(=O)O 62461266 JYOORQJHGYUFFV-ZIAGYGMSSA-N 305.378 1.781 10 10 DDCE COC(=O)C1(N(C)C(=O)Cc2ccc(O)c(O)c2)CCCCC1 1138036740 UWGMFHLTPQKUSV-UHFFFAOYSA-N 321.373 1.975 10 10 DDCE CC(=O)Nc1nc(C(=O)NCc2ccc(O)cc2O)cs1 1162271706 OHXUYZACQXAZGI-UHFFFAOYSA-N 307.331 1.443 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc2nc(CO)[nH]c2c1 1162279165 TXBDUNLQEMABIP-UHFFFAOYSA-N 313.313 1.396 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cn(Cc2ccccc2)nn1 1176748216 MRZURPOJNJIRKG-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE CN(CC(=O)NCc1cccc(O)c1O)C(=O)c1cccs1 1176564441 ANMGMXJPFNDABO-UHFFFAOYSA-N 320.370 1.548 10 10 DDCE C[C@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccccc1O 1454812592 BBYUOTLABUGILH-LBPRGKRZSA-N 323.356 1.923 10 10 DDCE COc1cc(C[C@@H](N)CNC(=O)OC(C)(C)C)cc(O)c1O 1535975063 LUGBEFHQXUJIRB-SNVBAGLBSA-N 312.366 1.501 10 10 DDCE CC(C)CN(CC(N)=O)c1ccc(CN)c(Br)c1 228150683 ZFYMVUMAOYIRGA-UHFFFAOYSA-N 314.227 1.856 10 10 DDCE COC(=O)[C@@H](NC(=O)c1cc(O)cs1)c1ccc(O)cc1 1556121239 JIYSQZRGRMIPDN-LBPRGKRZSA-N 307.327 1.803 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@]2(O)CCSC2)cc1 1635243948 OWTMBQXVFJOMEX-CYBMUJFWSA-N 308.363 1.447 10 10 DDCE COC(=O)c1coc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 1642666143 TZMWHCMRWWXAMX-HWKANZROSA-N 317.297 1.807 10 10 DDCE CCN1C(=O)/C(=C\c2ccc(OC)c(O)c2)C(=O)NC1=S 5926543 RMEOOZPXCOYPAX-TWGQIWQCSA-N 306.343 1.047 10 10 DDCE COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc(C(=O)O)cc1 5700947 BAIMRTHCUUFMIM-XYOKQWHBSA-N 301.298 1.687 10 10 DDCE COc1cc(Cl)cc(CNCCOCCN(C)C)c1O 234799497 XOYCPPHVWXMLMS-UHFFFAOYSA-N 302.802 1.722 10 10 DDCE OC[C@@H](O)CCNCc1cc(Br)cc(F)c1O 1963626808 ZGWLSWHRIUBOQW-VIFPVBQESA-N 308.147 1.127 10 10 DDCE CCC1(F)CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 2149833188 RGIHAFQAJXZHNI-UHFFFAOYSA-N 302.371 1.411 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NC(=O)Cc1ccc(N)cc1 1986712718 NGSQGRWANBPUMT-KBPBESRZSA-N 319.405 1.983 10 10 DDCE CC(C)(C)OC(=O)NC1CN(C(=O)c2cc(O)c(O)c(O)c2)C1 1988132161 ZYQIUKBOCXXLFY-UHFFFAOYSA-N 324.333 1.153 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2CN(C)C[C@@H]2OC)c1O 2151797457 RKHQSDVAVCFBQS-YPMHNXCESA-N 300.786 1.473 10 10 DDCE CN(c1ccc(CN)c(Br)c1)[C@H]1COC[C@H]1O 709423288 NXOUYZVZAFTMPW-NWDGAFQWSA-N 301.184 1.104 10 10 DDCE Nc1ccc(CCC(=O)OCCCCS(=O)(=O)O)cc1 690263369 XZBPFAPVUHIZOL-UHFFFAOYSA-N 301.364 1.413 10 10 DDCE C[C@]1(C(F)F)C[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2177405981 BTSBQFKZAAZZSW-MFKMUULPSA-N 304.362 1.980 10 10 DDCE [N-]=[N+]=NCC1(CNC(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 2174351654 MUDKPDMODPIAFH-VIFPVBQESA-N 318.424 1.113 10 10 DDCE Cc1ccc([C@@H](C2CC2)n2nc(C)c(C(N)=O)c2N)c(O)c1 2079112696 YMPDHTQKGZOKRY-CQSZACIVSA-N 300.362 1.886 10 10 DDCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1cnc(C(F)(F)F)s1 2196688212 AXOBZZJUKHWOLY-LURJTMIESA-N 308.289 1.978 10 10 DDCE CSc1ncc(CN[C@H]2CCS(=O)(=O)[C@H](C)C2)s1 2257105794 RMKQUZBRYCFDOM-BDAKNGLRSA-N 306.478 1.920 10 10 DDCE CC(=O)N[C@H](CSc1ncc(C(C)(F)F)s1)C(=O)O 2264516154 XHWJXMPDEJUWBR-ZCFIWIBFSA-N 310.347 1.936 10 10 DDCE COc1cc(OC)c(N2CCOC[C@H](CO)C2)cc1Cl 2285920850 WWYWXBCYYHNARH-JTQLQIEISA-N 301.770 1.802 10 10 DDCE C[C@@](O)(CNC(=O)C=Cc1ccc(O)c(O)c1)c1ccco1 2307987871 QJWFWALHWFAHRF-MRXNPFEDSA-N 303.314 1.728 10 10 DDCE CNCC(=O)N(C)Cc1ccc(C)c(Br)c1O 2307565735 BEWCDKJQYLJRCD-UHFFFAOYSA-N 301.184 1.641 10 10 DDCE COC(=O)NC1CN(c2ccc(CN)c(Br)c2)C1 2326905775 PDPHSBQATJBNSL-UHFFFAOYSA-N 314.183 1.452 10 10 DDCE NC(=O)CN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 179831990 DLHQSCYPTRZPEE-UHFFFAOYSA-N 316.449 1.280 10 10 DDCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1ccc(Br)cn1 135326175 CYVDNEHPODPTSG-SECBINFHSA-N 313.159 1.661 10 10 DDCE CC(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1 20603948 IONSERYNJMODMM-QGZVFWFLSA-N 319.449 1.898 10 10 DDCE CCN1CC[C@@H](CNCc2ccc(N3CCOCC3)cc2)C1 124164045 ADHJQJBXOCTBQJ-KRWDZBQOSA-N 303.450 1.955 10 10 DDCE Cc1cc([N+](=O)[O-])cn(CC(=O)c2ccc(O)c(O)c2)c1=O 127211975 LDHCJPXGLVYXTN-UHFFFAOYSA-N 304.258 1.359 10 10 DDCE O=S1(=O)CCN[C@@H](c2cc(Br)cc(F)c2O)C1 1952602319 SHYQAUXCKVTSIJ-SECBINFHSA-N 324.171 1.353 10 10 DDCE CCNC(=O)CN(C)c1cc(Br)c(CN)cc1F 385057035 FBGIJQCIEZQSJE-UHFFFAOYSA-N 318.190 1.619 10 10 DDCE O=C(NC[C@H]1CCN1C1CCCC1)c1c(F)ccc(O)c1O 530277504 VPZJDOJFWUMAKI-LLVKDONJSA-N 308.353 1.984 10 10 DDCE COCCn1cc(C(=O)OCC(=O)C(C)=O)c2ccccc21 808508792 DNHHXOOGXNLZGR-UHFFFAOYSA-N 303.314 1.603 10 10 DDCE CS(=O)(=O)NC1CCN(c2ccc(CO)cc2Cl)CC1 702975389 ZVRAACNPUKKAFU-UHFFFAOYSA-N 318.826 1.350 10 10 DDCE COC(=O)[C@@H]1CO[C@H](CCC(=O)N(C)Cc2ccccc2O)C1 820878600 KYUOIZAWZVMDGE-UONOGXRCSA-N 321.373 1.709 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@@H]2CCCS(=O)(=O)C2)cc1 835039013 AAQMZNBWRQXHMP-SJDLMVEWSA-N 308.447 1.933 10 10 DDCE CN(Cc1cc(O)n2ncc(C(=O)O)c2n1)CC(F)(F)F 738003569 FKQBFSRETGXGAB-UHFFFAOYSA-N 304.228 1.127 10 10 DDCE C[C@@H]1[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C 925313043 LDYCHEQRLKXWJR-CJNGLKHVSA-N 304.438 1.987 10 10 DDCE CN1C[C@@H](CCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1=O 927746575 NUEQPZKOIYVRGP-PYEVWLCESA-N 304.346 1.096 10 10 DDCE CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2cc([N+](=O)[O-])ccc2O)C1 850354084 VCTLAQDPUPKQGV-NILFDRSVSA-N 324.377 1.956 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@@H]3COC[C@H]3C2)cc1 853244927 RFJTVCYKMHTLIT-HUUCEWRRSA-N 303.406 1.931 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CC[C@H]3COC[C@@H]3C2)cc1 852668032 UNQUWXGDHBFULU-HOTGVXAUSA-N 317.433 1.337 10 10 DDCE COc1cccc([C@@H](C)NC[C@]23COCCN2C(=O)OC3)c1O 866521086 FRJVZRSOCWVZBV-BDJLRTHQSA-N 322.361 1.273 10 10 DDCE CN(C)c1cc(F)c(CN2CC[C@]3(CNC(=O)C3)C2)cc1F 862351022 DNWWVFXGCWHLTP-INIZCTEOSA-N 309.360 1.743 10 10 DDCE O=C(O)C1=C[C@H](c2ccc(N3CCCC3)cc2)NC(=S)N1 76260605 RJCFANQEYQQBEU-GFCCVEGCSA-N 303.387 1.774 10 10 DDCE COc1cc(C)cc(CN2CCC(N3CC[C@H](O)C3)CC2)c1O 895341366 DTOBWUXUFPKXDG-INIZCTEOSA-N 320.433 1.740 10 10 DDCE CN(CC(C)(C)C)S(=O)(=O)CCOc1ccc(N)cc1 70490810 SROFUFNSBPORBU-UHFFFAOYSA-N 300.424 1.955 10 10 DDCE COc1cc2c(cc1C(=O)NCc1cccc(O)c1O)OCO2 1153798640 UALLSMPJFBSHRH-UHFFFAOYSA-N 317.297 1.765 10 10 DDCE CCN=c1[nH]cc(Br)c(=NCc2ccc(N)cc2)[nH]1 2117259831 NHEXPDCRGLUBER-UHFFFAOYSA-N 322.210 1.709 10 10 DDCE [N-]=[N+]=NCC1CCN(CCS(=O)(=O)N2CCCC2)CC1 1912146478 BRCWKBDYYGUQGR-UHFFFAOYSA-N 301.416 1.434 10 10 DDCE C[C@H](NC(=O)N1Cc2cccc(O)c2C1)[C@@H]1CN(C)CCN1C 1519902353 LXRNJPXAHFGVMN-WFASDCNBSA-N 318.421 1.052 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc2nccn2c1 1466791358 RXUYHUQHHZJSPU-JTQLQIEISA-N 312.329 1.502 10 10 DDCE Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@H](C)c1ccccc1O 1471195688 LFFMYOGZTYWSJG-MRVPVSSYSA-N 324.358 1.432 10 10 DDCE COc1cccc(CNC(=O)c2ncoc2-c2ccon2)c1O 1630366859 YIPRVBRMTNSHKQ-UHFFFAOYSA-N 315.285 1.974 10 10 DDCE C[C@@H](NC(=O)NCc1cc(C(N)=O)no1)c1ccccc1O 1680872409 OEHIIYNKTINSNN-MRVPVSSYSA-N 304.306 1.040 10 10 DDCE CC(C)N1C[C@H](C(=O)NCCc2ccc(O)c(O)c2)CC1=O 154008484 NWMXVQCYKUWEBU-GFCCVEGCSA-N 306.362 1.013 10 10 DDCE C[C@@H](N)c1ccc(N2CC(F)(CO)C2)c(Br)c1 2005097587 GDCDYBQXTXHLAL-MRVPVSSYSA-N 303.175 1.989 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)COc1ccc(N)cc1 1977672998 SZHJMBCLPWLBCB-OLZOCXBDSA-N 321.377 1.429 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980368898 DDFQQUWASHHRIJ-FDYHWXHSSA-N 324.421 1.945 10 10 DDCE C[C@H](O)c1ccc(N2CCNC(=O)C(F)(F)C2)cc1Cl 2146721676 ATMYBMUKFSLVCN-QMMMGPOBSA-N 304.724 1.965 10 10 DDCE C[C@H]1CN(c2ccc(CN)cc2Br)CC[S@]1=O 2004537030 DIFMEBYECAEMPI-HUTHGQBESA-N 317.252 1.865 10 10 DDCE Cc1ccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(O)c1 1994458711 XMSPNTKLDWBLBB-UKRRQHHQSA-N 322.405 1.770 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c(Cl)c1 2151275262 OEADVXOWDMUBAO-PXWWUCIGSA-N 314.838 1.983 10 10 DDCE [N-]=[N+]=NCCCNC(=O)CCNS(=O)(=O)c1cccs1 701301547 RVGNEIFYVHBBAB-UHFFFAOYSA-N 317.396 1.233 10 10 DDCE COC(=O)C=Cc1ccc(N(C)[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 2059692520 QQTJEKKFXYSAGJ-CYBMUJFWSA-N 319.361 1.921 10 10 DDCE CCO[C@@H]1CCCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2062120751 CWGTUGBDKYRSEX-LLVKDONJSA-N 304.350 1.384 10 10 DDCE C[C@@H](C(=O)NCc1c(O)ccc2ccccc12)N1CCOCC1 2062169267 SIWSJAWQYQJLNJ-ZDUSSCGKSA-N 314.385 1.882 10 10 DDCE Cn1c(Br)nnc1CNCc1cccc(O)c1O 2057834161 CHXTZNKJWDWTIY-UHFFFAOYSA-N 313.155 1.279 10 10 DDCE CC[C@@H](NCC(CO)CO)c1cc(Br)ccc1O 2059271564 GRKXVEFJKDOYHL-GFCCVEGCSA-N 318.211 1.796 10 10 DDCE COc1ccc(O)c(CNCCS(=O)(=O)C(C)(C)C)c1 2191408332 FZGIYMGQKGJGMO-UHFFFAOYSA-N 301.408 1.704 10 10 DDCE CN1C[C@H](N(C)c2ccc(CN)c(Br)c2)CC1=O 2068209511 OVFLNJNKAUFYTE-LLVKDONJSA-N 312.211 1.575 10 10 DDCE Oc1cccc(Br)c1CN[C@@H]1CCc2nncn2C1 2103718411 PEWRGTLCNJFPCO-SECBINFHSA-N 323.194 1.851 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H]2[C@H](O)CO)cc1Br 2258342675 BDLRDJBDSCJYAR-BZHVJNSISA-N 315.211 1.401 10 10 DDCE Cc1ccc(CN2C[C@@H](O)[C@H](F)C2)c(O)c1Br 2307482217 NOUQSDLGATYXPI-NXEZZACHSA-N 304.159 1.978 10 10 DDCE CSc1ncc(CNC(=O)[C@H](N)CP(C)(C)=O)s1 2313930873 NROVOZHGXBCADF-MRVPVSSYSA-N 307.381 1.431 10 10 DDCE Cc1ccc(CN(C)CC[C@H](O)CO)c(O)c1Br 2327585629 WLTKYOJQCFXGGT-NSHDSACASA-N 318.211 1.638 10 10 DDCE CN(C)[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 301695715 PPFNMNPZWGZAEL-SNVBAGLBSA-N 320.349 1.456 10 10 DDCE CC[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H](C)O1 301694146 OYDKTMDQLFXFTR-UWVGGRQHSA-N 321.333 1.929 10 10 DDCE Cc1ccc(Cn2c3c([nH][n+]2=O)C(=O)c2ccccc2C3=O)cc1 408710527 QMGJCXRBJRULCB-UHFFFAOYSA-O 320.328 1.863 10 10 DDCE CNCc1ccc(N2CCOC[C@H]2CO)cc1Br 234452980 MTNPVQBHMYCAEO-GFCCVEGCSA-N 315.211 1.366 10 10 DDCE CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)CCN1C[C@H](C)O 247083409 HDFZCVNYRJHKGM-GXTWGEPZSA-N 323.393 1.577 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(CC(F)F)CC1 272355912 BLCAPPICHAYCPS-DUXPYHPUSA-N 312.316 1.520 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(N2CCOC2=O)ccc1F 808519805 GDWRCUYRAHIZQB-UHFFFAOYSA-N 309.249 1.097 10 10 DDCE CN1CCN(C[C@H](O)CNc2ccccc2OCCF)CC1 819489705 WAGGNSPYUXYMJF-CQSZACIVSA-N 311.401 1.055 10 10 DDCE C/C=C\[C@H](O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 901175416 LCMHYSJUVNAZSY-HQZFIWITSA-N 305.374 1.837 10 10 DDCE Oc1cc2c(cc1CN1CC[C@@H]([C@H](O)C(F)(F)F)C1)OCO2 825123817 CQHKJJDZKGNQDG-OQPBUACISA-N 319.279 1.866 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2nnn(C(C)(C)C)n2)c1 830541177 UCEFFEWFJCXCLB-VIFPVBQESA-N 319.365 1.633 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@@](C)(O)C2)c([N+](=O)[O-])c1 748285230 VXUBYDPWQYHLMU-ZDTYVGOBSA-N 306.318 1.742 10 10 DDCE C[C@@H]1C[C@H](S(=O)(=O)NCc2c(O)cccc2F)CCO1 921452388 NMRZJHRNYIKIMP-NXEZZACHSA-N 303.355 1.518 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C[C@H](C)N)C2)cc1 851668827 YTYBWZHQKMJCHW-MJBXVCDLSA-N 320.437 1.699 10 10 DDCE CN(C)c1ccc(CNC(=O)c2nnn(C(C)(C)C)n2)cc1 854271532 KPNVXLGTGDCSHU-UHFFFAOYSA-N 302.382 1.424 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3CCNC3)C2)cc1 852843519 ADZBGTYDHBOCJG-ZIAGYGMSSA-N 303.406 1.390 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@@H]2[C@@H]3C[C@@H]4[C@@H]2OC[C@@H]4C3)c1 868910167 FWWRBBUTOIZBMF-SERXHIIQSA-N 302.374 1.923 10 10 DDCE COc1cccc(CNS(=O)(=O)C[C@@H]2CCC2(F)F)c1O 866841231 XNMZTAOWHOMNDT-JTQLQIEISA-N 321.345 1.866 10 10 DDCE CN(C)c1cc(F)c(CN2C[C@@H]3C[C@H]2C[S@@]3=O)cc1F 862403472 QBKLOQXNIIHGTH-MKXJDEKUSA-N 300.374 1.736 10 10 DDCE CN(C)C[C@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc2O1 760816365 CTBKEUUFXPXGGI-KIUWMYQTSA-N 324.384 1.846 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@H](NC(N)=O)C1 763022974 YDSWDNJCMSCEKP-ZDUSSCGKSA-N 319.409 1.013 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ns[nH]c1=O 1136428763 LVSBBMFDNARZAE-UHFFFAOYSA-N 306.391 1.560 10 10 DDCE CC(C)NC(=O)CN(C)C(=O)c1cc2cc(O)c(O)cc2s1 895487270 DMKGQSUXWSBZKL-UHFFFAOYSA-N 322.386 1.909 10 10 DDCE CO[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCOC1 897404481 DGHSLYSQXSXEMT-HNNXBMFYSA-N 323.370 1.848 10 10 DDCE COc1cc(CNC(=O)c2cccc(O)c2O)cc(OC)c1O 790588300 SMHXPCOAVIZDNI-UHFFFAOYSA-N 319.313 1.751 10 10 DDCE O=C(Cc1cnn(-c2ccccc2)n1)NCc1cc(O)ccc1O 1303223267 HZTUXBGSAWHSSR-UHFFFAOYSA-N 324.340 1.537 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](N2CCC[C@H](CN=[N+]=[N-])C2)C1 1912187414 KIMVDLZACPLESX-VXGBXAGGSA-N 301.416 1.433 10 10 DDCE O=Cc1ccccc1OCC(=O)NCc1c(O)cccc1O 1558534253 RMGYVVIBZIYJJW-UHFFFAOYSA-N 301.298 1.606 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccccc1Cn1ccnn1 1637126364 VERSDAHNCUCZSH-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cccnc2OCCO)c1 1640800670 SNSZGNDSEMDONS-UHFFFAOYSA-N 302.330 1.397 10 10 DDCE C[C@@H](NC(=O)N[C@H](CO)c1ncc[nH]1)c1ccc(N(C)C)cc1 1671851889 MHEFTIXJJLLQMQ-BXUZGUMPSA-N 317.393 1.570 10 10 DDCE COc1ccccc1CNC(=O)CCN1C(=O)CSC1=S 1865765286 ZGHGJRANQGCZEW-UHFFFAOYSA-N 324.427 1.562 10 10 DDCE Cc1nn(C)c(C(=O)NCCCN=[N+]=[N-])c1Br 1963697252 AXTHVBMIXBVZRZ-UHFFFAOYSA-N 301.148 1.921 10 10 DDCE CS(=O)(=O)N1CC[C@@H](CNCc2ccc(Cl)cc2O)C1 1964067204 CMZLBFVRJOCPFQ-JTQLQIEISA-N 318.826 1.417 10 10 DDCE C[C@H](NCc1cccc(Cl)c1O)[C@H]1CCS(=O)(=O)C1 898214623 FZQLXRKEDOFXAC-ONGXEEELSA-N 303.811 1.958 10 10 DDCE COc1cc(Cl)cc(CNC[C@H]2C[C@@H](CO)CO2)c1O 1967895531 OXSMUGHYBVZDLV-JOYOIKCWSA-N 301.770 1.541 10 10 DDCE CCN(c1ccc(N)cc1)S(=O)(=O)NC(=O)OC(C)C 162784309 WKMBZTKLSMBATI-UHFFFAOYSA-N 301.368 1.475 10 10 DDCE NC[C@]1(O)CCCN(Cc2c(O)cccc2Br)C1 2039801865 QPGALKCSLUDJJW-CYBMUJFWSA-N 315.211 1.440 10 10 DDCE NCc1ccc(N2CC(CS(=O)(=O)C(F)F)C2)cc1Cl 2173184850 LBJIYIYQCSRYHL-UHFFFAOYSA-N 324.780 1.872 10 10 DDCE CC(C)N(CCS(C)(=O)=O)[C@H](C)c1c(O)cccc1O 2170139813 NQODRGWOILCZTA-LLVKDONJSA-N 301.408 1.914 10 10 DDCE OCC[C@H]1CN(c2ccc(CO)cc2Br)CCO1 2052687850 IVQOBVOKWBYFDD-NSHDSACASA-N 316.195 1.529 10 10 DDCE C[C@@]1(O)CN(c2ccc(CO)cc2Br)CC[C@@H]1O 2081770405 WVDNNSPNAFZZTL-QWHCGFSZSA-N 316.195 1.263 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H](C)[C@@H](C(=O)O)C2)s1 2284500933 SCTVJAPNRLGAFZ-CBAPKCEASA-N 315.420 1.727 10 10 DDCE Cc1ccc(CN2CC(NC(N)=O)C2)c(O)c1Br 2327603384 PTJYMGFEHNZKKU-UHFFFAOYSA-N 314.183 1.316 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@H](Sc2ncc(C(=N)NO)s2)C1 2342131186 LVKAPUMMBITRNI-NKWVEPMBSA-N 321.449 1.505 10 10 DDCE COc1ccc(/C=C2/SC(NCCC(=O)O)=NC2=O)cc1 59182026 ONTQEJNVBZOTSA-DHZHZOJOSA-N 306.343 1.730 10 10 DDCE CCC[C@H](NC(N)=O)C(=O)NCc1ccc2c(c1)CCCN2C 57550537 IGJVJVYZMOMYHV-AWEZNQCLSA-N 318.421 1.522 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H]1c1c(O)cc(O)cc1O 1952457535 RMFMSHUBNCGITD-WCBMZHEXSA-N 310.350 1.813 10 10 DDCE CCOC(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](N=[N+]=[N-])[C@H]1O 309717795 LFRBCTNPGRAUIN-KATARQTJSA-N 314.342 1.503 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)N2CCC[C@H]2C)c1 185015948 BDNFPCAHOKTLHV-SNVBAGLBSA-N 300.380 1.220 10 10 DDCE CC(C)(CC(N)=O)NCc1cccc(Br)c1O 227055655 DTFQOCUYOMYFTR-UHFFFAOYSA-N 301.184 1.898 10 10 DDCE CC(C)(C)CS(=O)(=O)N1CCN(c2ccc(N)cc2)CC1 80186562 FKXZGMPNCDQFER-UHFFFAOYSA-N 311.451 1.767 10 10 DDCE CN(Cc1cnn(C)c1)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 92750847 MWLASXKNKSVAIM-CYBMUJFWSA-N 305.769 1.662 10 10 DDCE CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 248771971 SXRHMFRBZQGFGX-NNOLRYQLSA-N 311.403 1.907 10 10 DDCE CCOc1ccc(O)c(CN(C)[C@H](C)CN2CCOCC2)c1 279339480 DXXWPKRAWINKTP-CQSZACIVSA-N 308.422 1.943 10 10 DDCE C[C@H](O)C[C@@H]1COCCN1Cc1ccc(N2CCOCC2)cc1 809768948 ZDSYOFKKJTYJNA-MAUKXSAKSA-N 320.433 1.495 10 10 DDCE Cc1cc(Br)c(O)c(CN(C)CCOCCO)c1 800545272 LMIUUJRJADLFTQ-UHFFFAOYSA-N 318.211 1.904 10 10 DDCE Cc1cc(Br)c(O)c(CNCc2cnn(C)n2)c1 808417247 FXPRBNBMVSGKHZ-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(CC)C1=O 802531617 VHWXYOANLJNHMG-AWEZNQCLSA-N 319.405 1.935 10 10 DDCE CC(C)(C)N1C[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CC1=O 588406834 UVLTXIWWVAUNHA-HWPRWLFBSA-N 318.373 1.627 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC3CC2(C(=O)O)C3)cc1 908758175 GVPZGLWPZRWLBN-UHFFFAOYSA-N 303.362 1.511 10 10 DDCE C[C@H]1C[C@H](S(=O)(=O)Nc2ccc(O)cc2C(=O)O)CCO1 844783042 QYGHIVCOCXXGAG-WCBMZHEXSA-N 315.347 1.400 10 10 DDCE COc1ccc(N2CC[C@H](N3C(=O)CN(C(C)C)C3=O)C2)cc1 849358575 ZCDILXFGXNDZMC-AWEZNQCLSA-N 317.389 1.947 10 10 DDCE COc1ccc(O)c(CNC(=O)NCCOC2CCOCC2)c1 918746330 VWQUNWHKIYCVKL-UHFFFAOYSA-N 324.377 1.396 10 10 DDCE COc1ccc(N2CCC(NC[C@](C)(CO)OC)CC2)cc1 848560173 ZQGYHXWQOLLHSU-QGZVFWFLSA-N 308.422 1.651 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3[C@H]4COC[C@H]3C4)c(Br)cc21 1899636340 WLRVGXWUWPKMTR-NQYJQULFSA-N 324.178 1.379 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)CN2CC(C)(C)C2)cc1 848243007 DOYFKTLUHCQDHL-UHFFFAOYSA-N 319.449 1.932 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@H]1CNC(=O)C1 926971204 YFUHIJIKPUXGJU-CQSZACIVSA-N 318.421 1.420 10 10 DDCE CN1[C@H]2CC[C@H]1CC(NC(=O)NCc1c(O)cccc1F)C2 922736411 AEZWNEPXTXOMKH-RYUDHWBXSA-N 307.369 1.956 10 10 DDCE CC1=NO[C@@H](C(=O)NCc2cc(Br)ccc2O)C1 854442214 KSPFPQBHQZFXBO-LLVKDONJSA-N 313.151 1.936 10 10 DDCE Cc1ccc(C(=O)N2CCC3(CC2)COCCO3)c(O)c1O 922566125 DTCZPBNBSHDHTL-UHFFFAOYSA-N 307.346 1.428 10 10 DDCE CCN(C)c1ccc(CN2C[C@@H](C(=O)OC)O[C@H](C)C2)cc1 859654530 WZUNKCZSSFLHNI-CJNGLKHVSA-N 306.406 1.905 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)C(F)(F)F)C2)cc1 852844658 YMAYVPWJFNEOOC-JOYOIKCWSA-N 317.311 1.280 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O 863057299 IXVOSGJDUHPHGF-ATLWOYDLSA-N 321.398 1.623 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC(N3CCCC3)C2)cc1 898599535 PMNVPNARYQRUBR-UHFFFAOYSA-N 301.350 1.769 10 10 DDCE CN(Cc1cc2c(cc1O)CCC2)[C@@H]1CCN(S(C)(=O)=O)C1 793588849 NIEZXWOWKDIXMN-OAHLLOKOSA-N 324.446 1.347 10 10 DDCE O=C1NCCC2(CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)O1 1179542623 VCUMCRSPPCQQHZ-UHFFFAOYSA-N 320.345 1.131 10 10 DDCE Cc1nc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)n[nH]1 1443347341 XMNVOXDUWAXLJA-UHFFFAOYSA-N 318.358 1.712 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCO[C@H]2CCOC2)cc1 1558496538 ORXNZPOHSMNAGK-LBPRGKRZSA-N 306.322 1.384 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)[C@@H]1CCCn2ncnc21 1639624893 OGBFZIXEVOLNJY-CYBMUJFWSA-N 323.356 1.726 10 10 DDCE CC(C)(C)OC(=O)N1CC(C(=O)NCc2c(O)cccc2O)C1 1635847175 JIKZSEHVASYCNK-UHFFFAOYSA-N 322.361 1.581 10 10 DDCE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(CCN=[N+]=[N-])C1 1962303240 GHXCGHOEEWGMAB-LBPRGKRZSA-N 313.402 1.991 10 10 DDCE CC(=O)C(=O)[C@]1(O)CN(Cc2ccccc2)C2(CCOCC2)C1 1939538307 VSGPQPQEMHGDDL-GOSISDBHSA-N 317.385 1.331 10 10 DDCE CC(C)(C)OC(=O)NC[C@](C)(CN)c1cc(O)c(O)c(O)c1 1951862466 BGLJLMXCXWBAKC-HNNXBMFYSA-N 312.366 1.545 10 10 DDCE O=S1(=O)C[C@H]2CC(NCc3c(O)cccc3Cl)C[C@@H]2C1 1974482879 FKSBZOLPIQDQII-NXEZZACHSA-N 315.822 1.958 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](O)CN[C@@H]1CCc2cccc(O)c21 1985781563 ZVNPDJTUHYHFEF-CHWSQXEVSA-N 322.405 1.855 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NCc2ccccc2O)C1 1986128531 SFGDUKCMYUYGPV-ZFWWWQNUSA-N 322.405 1.852 10 10 DDCE CN(C[C@@H]1C[C@@H]1C(F)F)S(=O)(=O)Cc1ccc(N)cc1 2159756996 BIEPAVFQDGUSMV-JQWIXIFHSA-N 304.362 1.932 10 10 DDCE O=C(O)c1cc(NS(=O)(=O)C2CCOCC2)ccc1O 50199262 QJQIVYLFIKNHPD-UHFFFAOYSA-N 301.320 1.011 10 10 DDCE CNCc1ccc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)cc1Br 2030272193 GHMUFCOOSJPGPK-ITGUQSILSA-N 311.223 1.843 10 10 DDCE NC(=O)[C@H](NCc1cc(Br)cc(F)c1O)C1CC1 2035304207 QGKNNYXUOZYDOW-SNVBAGLBSA-N 317.158 1.647 10 10 DDCE CCN[C@H](c1ccccc1O)[C@](C)(O)[C@H](C)S(C)(=O)=O 2170628799 AHYYHBRYCAASRX-ZLKJLUDKSA-N 301.408 1.227 10 10 DDCE NC[C@H]1CN(Cc2c(O)cccc2Br)CCCO1 706861419 URFJYTFDJLBVGD-JTQLQIEISA-N 315.211 1.704 10 10 DDCE CCS[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 382907123 VRDHIKOKSGEUPU-ZDUSSCGKSA-N 300.449 1.926 10 10 DDCE CC(C)OCCCN(C)S(=O)(=O)Cc1ccc(N)cc1 394748102 YNCNMGSITIQRJZ-UHFFFAOYSA-N 300.424 1.846 10 10 DDCE CCCO[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@H]1CN=[N+]=[N-] 2179603731 NJMNINAQHZMCSM-QJPTWQEYSA-N 302.400 1.353 10 10 DDCE CN(c1ccc(CO)cc1Br)[C@@H]1CCC(=O)NC1 2063562122 QCTVWVJZNNSRPO-SNVBAGLBSA-N 313.195 1.656 10 10 DDCE CS(=O)(=O)C[C@H]1CCCN1c1ccc(CN)cc1Cl 2094925671 AYAQOECFKAVDEJ-LLVKDONJSA-N 302.827 1.812 10 10 DDCE O=C(O)[C@H]1C[C@H](O)CN(Cc2cc(Cl)cc(Cl)c2O)C1 2201043555 KHGDQYQXDGTKPD-WPRPVWTQSA-N 320.172 1.966 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](OC(F)F)C2)cc1 2238852214 NUBJMAYKALKUAZ-LLVKDONJSA-N 306.334 1.412 10 10 DDCE CC(C)CN1C(=O)C(=CNc2ccccc2)C(=O)NC1=S 2295113163 BXWFEVBGUMVFHN-UHFFFAOYSA-N 303.387 1.882 10 10 DDCE Cc1ccc(C=C2SC(=S)N([C@H](CO)C(=O)O)C2=O)cc1 2323831411 HIHFQPQBJTYLTP-SNVBAGLBSA-N 323.395 1.642 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(C)c(C(=O)OC)s1 2339781307 KDHNNMXZQULLAQ-UHFFFAOYSA-N 307.397 1.237 10 10 DDCE CCNC(=O)[C@H](C)NCc1cc(Br)ccc1O 227434985 TWAHJZZZRLZUJX-QMMMGPOBSA-N 301.184 1.769 10 10 DDCE CCCC(=O)Nc1cc(N2CCN(C=O)CC2)ccc1OC 62160187 JCPXRKNDBCPSHZ-UHFFFAOYSA-N 305.378 1.712 10 10 DDCE COC(=O)C[C@@](C)(N)c1cc(Br)cc(OC)c1O 1952338282 PIQJLKNSVGXPLK-GFCCVEGCSA-N 318.167 1.900 10 10 DDCE CC(=O)N1CC[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 175810217 CKCMTIRATDXHKF-OAHLLOKOSA-N 303.406 1.579 10 10 DDCE CCN(Cc1cc(Br)ccc1O)C[C@@H](O)COC 76118550 BBVYMOKYHSQBGC-GFCCVEGCSA-N 318.211 1.984 10 10 DDCE COc1ccc(N2CCN(CCC(=O)NC(C)C)CC2)cc1F 122060559 DMJDVPNTMGMFMN-UHFFFAOYSA-N 323.412 1.871 10 10 DDCE COc1cc(Cl)c(N2CC[C@](CO)(OC)C2)c(OC)c1 2368106362 RWLDRVPLVSSVPO-AWEZNQCLSA-N 301.770 1.945 10 10 DDCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1ccc(Br)cn1 135325599 MUWMBZMOLKXPJF-VIFPVBQESA-N 314.143 1.958 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2CCNC23CCC3)c1O 529355838 DNVCKVGTMUNYBD-CYBMUJFWSA-N 305.378 1.485 10 10 DDCE NCc1ccc(N2CC(NS(=O)(=O)C3CC3)C2)c(Cl)c1 2165627006 QKAAFHFKHCGCRD-UHFFFAOYSA-N 315.826 1.069 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 808502435 IHIABKCRENRKHF-ZANVPECISA-N 303.314 1.596 10 10 DDCE COc1ccc(C(=O)OCC(=O)C(C)=O)c(Br)c1 808511838 LVJBSWSRSWYCOJ-UHFFFAOYSA-N 315.119 1.773 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C[C@]1(O)CCCN(C)C1 900731179 COQWNBJVWPAPAI-GOSISDBHSA-N 319.449 1.524 10 10 DDCE C[C@@H]1CNC[C@H]1CNCc1ccc(N2CCOCC2)c(F)c1 903963984 CITVQQLPXJWBPE-HIFRSBDPSA-N 307.413 1.607 10 10 DDCE COC[C@@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 849224946 MLYKOEUYSXGYNK-OLZOCXBDSA-N 307.394 1.608 10 10 DDCE Cc1cc(O)c(CN2CCN(C(=O)[C@@H](C)O)CC2)c(Cl)c1 840917876 UJKDAGKWJSCLID-LLVKDONJSA-N 312.797 1.379 10 10 DDCE CCN(C(=O)/C=C\c1cncc(C(=O)NC)c1)c1cnn(C)c1 848342073 GUZLTBVHDMAKGJ-WAYWQWQTSA-N 313.361 1.241 10 10 DDCE CO[C@@H](C)C(=O)NCc1cc(NC(=O)[C@H](C)OC)ccc1O 923123404 LQFHCOFEMCZCOL-UWVGGRQHSA-N 310.350 1.017 10 10 DDCE COc1cccc(CNS(=O)(=O)c2cc(C)cnc2N)c1O 766819291 RHRPWKPNSXFMBY-UHFFFAOYSA-N 323.374 1.165 10 10 DDCE C[C@@H](NC[C@@H]1CN=C(c2cnn(C)c2)O1)c1ccccc1O 931554470 QEFPNGRFJBFAAE-DGCLKSJQSA-N 300.362 1.622 10 10 DDCE COc1ccc(CNC(=O)[C@H]2CCn3cc(C)nc3C2)c(O)c1 861489541 FLJPAYOWUZENCH-LBPRGKRZSA-N 315.373 1.785 10 10 DDCE COc1ccc(NC(=S)NNc2nnc(C)n2C)cc1F 863206917 XCZWUIUXWMZYMF-UHFFFAOYSA-N 310.358 1.585 10 10 DDCE COC(=O)c1cc(CNC(=O)c2cc(O)cs2)n(C)c1C 882383734 KAAMTEMLSVEQSB-UHFFFAOYSA-N 308.359 1.817 10 10 DDCE C[C@@H]1CN(C)C(=O)CN1C(=O)c1cc2cc(O)c(O)cc2s1 897503072 TULFOGGAZOHPEV-MRVPVSSYSA-N 320.370 1.615 10 10 DDCE CC(C)(C)[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1O 1137882448 UHRGSJBCZAYPJP-SWLSCSKDSA-N 307.390 1.896 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2C[C@H](S(C)(=O)=O)C2)c1O 714243521 RDIYVGUBZLIBKK-XYPYZODXSA-N 319.810 1.719 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C/C(=O)N(C)C 1162113736 HAKAZVHAQOONBY-ATWMFIQVSA-N 317.433 1.753 10 10 DDCE Cc1ccc(C(=O)N2[C@@H](C)[C@@H](C(N)=O)CC[C@H]2C)c(O)c1O 1163553230 OAPSGFLHWPDBLH-VWYCJHECSA-N 306.362 1.521 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CC4(CCO4)C3)c(Br)cc21 2115158646 LWFDMSBFCVSICH-NSHDSACASA-N 324.178 1.380 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2cn(C)cn2)cc1C 1317575297 IZARYOONWHBOQA-UHFFFAOYSA-N 316.405 1.599 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1ccc2oc(O)nc2c1 1177227325 KVQMIWKRPOGRPW-UHFFFAOYSA-N 314.297 1.804 10 10 DDCE CN(C)S(=O)(=O)C[C@H](N1CC[C@@H](N=[N+]=[N-])C1)C(F)(F)F 1912197032 OGOJNDZBELVQAN-SFYZADRCSA-N 315.321 1.193 10 10 DDCE NC(=O)c1ccc(CC(=O)NCc2cc(O)ccc2O)cc1 1558175243 JOECIHHTPRWLKL-UHFFFAOYSA-N 300.314 1.056 10 10 DDCE C[C@H](Oc1ccc(C=O)cc1)C(=O)NCc1ccc(O)cc1O 1630301663 GAEQBVPGHFTNNR-NSHDSACASA-N 315.325 1.994 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ncc2c(F)cccn12 1643812988 VLHWPOYXDUBPPL-UHFFFAOYSA-N 301.277 1.815 10 10 DDCE O=C(Cn1c(=O)oc2ccccc21)NCc1cc(O)ccc1O 1644752757 SUVOQWYOHCKCID-UHFFFAOYSA-N 314.297 1.322 10 10 DDCE CC(CO)(CO)CNC(=O)c1cc2cc(O)c(O)cc2s1 1641524828 RAOMTSIWNQTPNL-UHFFFAOYSA-N 311.359 1.033 10 10 DDCE C[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1O 1654532345 OVBNFAVZFZAJTH-ZYHUDNBSSA-N 306.322 1.209 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cccc([N+](=O)[O-])c1O 1593873178 KRPSQKZJUTZRFN-UHFFFAOYSA-N 304.258 1.642 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCNOCc1ccccc1 1936387259 ZRGFVLSOSCXLDN-UHFFFAOYSA-N 316.357 1.478 10 10 DDCE COc1ccc(N2CCN(CN3CC4(CC4)CC3=O)CC2)cc1 1325207496 CPLVZUTXOSBEKW-UHFFFAOYSA-N 315.417 1.787 10 10 DDCE OC[C@H]1CO[C@H](CNCc2cc(Br)ccc2O)C1 1967894534 DFVOLAJRJKBMQC-CABZTGNLSA-N 316.195 1.642 10 10 DDCE O=S(=O)(CC1CC(F)C1)NCCc1ccc(O)c(O)c1 2148913888 IWZKOGQULJTVMV-UHFFFAOYSA-N 303.355 1.308 10 10 DDCE COc1ccc(O)c(CN(C)[C@@H](C)CCS(C)(=O)=O)c1 2160752841 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DDCE CSc1ncc(CNS(=O)(=O)[C@H]2C[C@H](CO)C2)s1 2256942655 YKJXRZISNIAMRV-XWEPSHTISA-N 308.450 1.055 10 10 DDCE CCNC[C@@H](C)S(=O)(=O)NCc1cnc(SC)s1 2257099243 ZTSKCQORXNTTMA-MRVPVSSYSA-N 309.482 1.282 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CC(F)(F)[C@@H]2C(=O)O)s1 2284535963 GMSYTZSNSUYREQ-RQJHMYQMSA-N 322.358 1.837 10 10 DDCE COc1cc(OC)c(N2CCOC[C@H]2CCO)cc1Cl 2285873297 RQOMOKXSPILERV-SNVBAGLBSA-N 301.770 1.945 10 10 DDCE CC1(CS(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)COC1 2287099076 OZJVNWYNRVAKQX-UHFFFAOYSA-N 302.308 1.079 10 10 DDCE Cc1ccc(CNC[C@H]2COCCN2)c(O)c1Br 2327625740 GFFHOOZZZKMKNN-NSHDSACASA-N 315.211 1.541 10 10 DDCE Cc1ccc(CNC[C@H](O)CN(C)C)c(O)c1Br 2327790992 XXCKKTPVTGHTMD-NSHDSACASA-N 317.227 1.475 10 10 DDCE Cc1ccc(C(=O)NCC(=O)NC2CCCCC2)c(O)c1O 179462065 JWSZAXIVZIVSAG-UHFFFAOYSA-N 306.362 1.585 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)c2ccc[nH]2)cc1C 1272362361 MYCZIHSRVGQDLG-AWEZNQCLSA-N 317.389 1.212 10 10 DDCE COc1ccc(O)c(CNC(=O)c2cnn3ccc(C)nc23)c1 114542434 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CCN1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1=O 801764596 ZSQFIUMVIAUBKI-SWLSCSKDSA-N 318.421 1.734 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@H]3COC[C@@H]3C2)c1O 827602710 SSZOTZSVZKWGDQ-RYUDHWBXSA-N 308.334 1.777 10 10 DDCE CC[C@@H](CO)N(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 828371420 CJKSOTICJRRJMO-WMADIVHISA-N 308.334 1.988 10 10 DDCE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)c1cc(O)cs1)C2 822485796 SUAUOHJUTSWAKS-LSJOCFKGSA-N 310.375 1.803 10 10 DDCE COC(=O)c1nc(C(=O)NCc2ccc(N(C)C)cc2)cs1 905317555 JEUWHXHSBDCKFE-UHFFFAOYSA-N 319.386 1.926 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCNC[C@H]2C(F)F)c1O 843124655 IMBWMQDZOHTXLC-JTQLQIEISA-N 317.292 1.348 10 10 DDCE CC[C@@H](CSC)NS(=O)(=O)CCOc1ccc(N)cc1 131954973 RHEYGFBSWFKDID-LBPRGKRZSA-N 318.464 1.709 10 10 DDCE CC[C@](C)(CO)C(=O)N(C)CCN(C)c1ccc(OC)cc1 848243598 MTMDXRNJSDRHGI-QGZVFWFLSA-N 308.422 1.998 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cc3ccnn3C)C2)cc1 855227377 YDGFHLPAUZNTQV-CYBMUJFWSA-N 314.389 1.366 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](NC(C)=O)C(C)C 935945031 ICHNSEXYJKSAMS-CQSZACIVSA-N 313.394 1.655 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCN(C)[C@H](CO)C2)c1O 931408685 VTKPFPGMCCLUHO-ZDUSSCGKSA-N 312.797 1.357 10 10 DDCE COc1ccc(O)c([C@H](C)NC[C@@]23COCCN2C(=O)OC3)c1 866521866 QMSVRQLDUUNTCB-ZBEGNZNMSA-N 322.361 1.273 10 10 DDCE C[C@@H]1CN(CCO)CCN1Cc1cc(F)c(N(C)C)cc1F 862390604 GSFCCGRFVSWTAF-GFCCVEGCSA-N 313.392 1.529 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCCC[C@@H]1C1OCCO1 1442682150 SNQZIQHMGHFVRC-GFCCVEGCSA-N 307.346 1.394 10 10 DDCE CCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(N)cc2)C1 62460485 YQCMGOIFMQIVKK-LBPRGKRZSA-N 305.378 1.482 10 10 DDCE CC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(Cl)c1O 890758034 QKGJJBHTRHCARA-LLVKDONJSA-N 314.794 1.583 10 10 DDCE CSCCCNS(=O)(=O)CCOc1ccc(N)cc1 70490917 ZOKXNNWEXCJSKH-UHFFFAOYSA-N 304.437 1.320 10 10 DDCE O=C(c1cccc(O)c1O)N1CCC2(C1)CC1(C2)OCCO1 1917314269 XWUZSSLUFVHFMB-UHFFFAOYSA-N 305.330 1.467 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cc2c(cc1O)OCO2 1299573903 LJIAHQULHOBQLS-UHFFFAOYSA-N 303.270 1.462 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1ccc2oc(O)nc2n1 1294909405 PJYAJWIVQDNTLR-UHFFFAOYSA-N 315.285 1.312 10 10 DDCE CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1293328172 ODAIMHARKRFOAE-LLVKDONJSA-N 317.349 1.447 10 10 DDCE Cc1cc(C(F)F)n(CC(=O)NCc2ccc(O)cc2O)n1 1299579711 GTLVSDCLMJKVGM-UHFFFAOYSA-N 311.288 1.857 10 10 DDCE C[S@](=O)[C@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 1654841841 CKKQGQCHLSYUKY-VQXVYSPMSA-N 301.339 1.266 10 10 DDCE CN(Cc1cccc(Br)c1O)[C@@H]1CCCNC1=O 1963340079 ZCWVZHBPAFARFU-LLVKDONJSA-N 313.195 1.865 10 10 DDCE CN1C(C)(C)[C@H](NCc2cccc(F)c2O)CS1(=O)=O 1967823801 BOYBICJKAHHOEB-LLVKDONJSA-N 302.371 1.043 10 10 DDCE CCOC(=O)NS(=O)(=O)N(C)[C@H](C)c1ccccc1O 163229079 SBUFRGZEODJRRI-SECBINFHSA-N 302.352 1.376 10 10 DDCE CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1cccc(F)c1O 2152915913 KITTYPWTDFNNRP-QWHCGFSZSA-N 301.383 1.977 10 10 DDCE CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1c(O)cccc1F 2160771398 YOXLSCOQTRHGCP-OCCSQVGLSA-N 301.383 1.977 10 10 DDCE O=C1CCN(c2ccc(CO)cc2Br)CCCN1 2028682747 KFQUWYJDMYCVCN-UHFFFAOYSA-N 313.195 1.658 10 10 DDCE C[C@H]1[C@H](C)S(=O)(=O)CCN1c1ccc(CN)c(F)c1F 2170277848 HYHXRIJSMGHOGA-IUCAKERBSA-N 304.362 1.435 10 10 DDCE C[C@H]1CNC(=O)CN1c1ccc([C@@H](C)N)c(Br)c1 2060839661 GSYRUJNCJIDNES-DTWKUNHWSA-N 312.211 1.794 10 10 DDCE N[C@H]1CC[C@H](CS(=O)(=O)Nc2ccc(O)cc2Cl)C1 2087457956 LIHMIWZILKFHOD-IUCAKERBSA-N 304.799 1.915 10 10 DDCE CC(C)(C)OC(=O)NC1(CCOc2nnc(=N)[nH]n2)CCCC1 2210646444 LURSDWMGVPKTGD-UHFFFAOYSA-N 324.385 1.286 10 10 DDCE COc1cc(N2CC(S(=O)(=O)C(F)F)C2)ccc1CO 2206683509 QINJUEZONPTHCQ-UHFFFAOYSA-N 307.318 1.014 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CCOCC[C@H]2N)s1 2269256404 NQSBBIQSXBPSOA-NXEZZACHSA-N 301.437 1.235 10 10 DDCE COC(=O)CN1C(=S)N(C)C(=O)C1=Cc1cc(C)n(C)c1C 2297365176 KWBMYWZRLYKCKQ-UHFFFAOYSA-N 321.402 1.215 10 10 DDCE Cc1ccc(C=CC(=O)NCCN2C(=O)CSC2=S)cc1 2320656257 BUKYPNOCXLPMPH-UHFFFAOYSA-N 320.439 1.985 10 10 DDCE CC1CCN(c2ccc(CNC(=O)[C@@H](C)NC(N)=O)cc2)CC1 108294994 FDXBDXNBEHIGEY-CYBMUJFWSA-N 318.421 1.596 10 10 DDCE COC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(O)c(O)c2)C1 170046551 WMYBSXGEPYZODZ-AAEUAGOBSA-N 321.373 1.688 10 10 DDCE COCCNCc1cc(F)c(N2CCC(O)CC2)c(F)c1 62734662 VPAGDELHFVDSDR-UHFFFAOYSA-N 300.349 1.662 10 10 DDCE Cc1ccc(C(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)c(O)c1O 179524306 YEJVHRCOPNIONE-TZMCWYRMSA-N 320.389 1.199 10 10 DDCE CC(C)NCc1ccc(N(C)[C@H]2CCS(=O)(=O)C2)c(F)c1 36870458 VKGMKMFEGDAUDG-ZDUSSCGKSA-N 314.426 1.947 10 10 DDCE CO[C@H](CCS(C)(=O)=O)CNCc1cc(C)ccc1O 2364086078 JIMGYQQUPDALQH-CYBMUJFWSA-N 301.408 1.240 10 10 DDCE CCNC(=O)CN(C)c1ccc(CN)c(Br)c1 228149835 SILAOVHOLWXIKH-UHFFFAOYSA-N 300.200 1.480 10 10 DDCE COC(=O)CN(Cc1cc[nH]n1)Cc1cc(Cl)ccc1O 93277181 FNOSPJBDLBWXHE-UHFFFAOYSA-N 309.753 1.944 10 10 DDCE CC1(CNC(=O)/C=C\c2ccc(N3CCOCC3)cc2)COC1 255613153 YRPCKTMIKPJCJE-DAXSKMNVSA-N 316.401 1.689 10 10 DDCE OC[C@H]1CC(F)(F)CN1Cc1ccc(N2CCOCC2)cc1 364846344 TWNGPTWCYKMEQF-OAHLLOKOSA-N 312.360 1.725 10 10 DDCE CCN(CC)c1ccc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 366763682 CFTMAMOMQCIAPH-IRXDYDNUSA-N 317.433 1.622 10 10 DDCE Cc1cc(N2CCSC[C@@H]2S(C)(=O)=O)ccc1CN 90923191 JIVSGDIXKWGVKD-ZDUSSCGKSA-N 300.449 1.378 10 10 DDCE CCOCc1nc([C@H](C)NCc2cc3c(cc2O)OCO3)no1 290959040 RJWSUQUEZFRYGT-VIFPVBQESA-N 321.333 1.891 10 10 DDCE CCN(CCCN(C)C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 819931968 YMLFIASBFLWCTJ-UHFFFAOYSA-N 322.365 1.704 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2cccn(C)c2=O)c1 729534777 CVUFUCNYZWEMSH-JTQLQIEISA-N 302.330 1.591 10 10 DDCE COc1cc(O)c(CNC[C@]2(O)C[C@H]3C=C[C@H]2C3)cc1OC 827196978 SENGLLFQXJGANH-PLQHRBFRSA-N 305.374 1.826 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(N2CCC2)CC1 912875343 AVHAUBSKYRLXCU-HWKANZROSA-N 302.374 1.808 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)cc1 844303675 ADEZCZUCVCRKMU-FRQROOTJSA-N 313.401 1.284 10 10 DDCE O=C(NCCNC(=O)c1ccccc1)NCc1ccccc1O 748459722 IQWKNZPIHSDLSA-UHFFFAOYSA-N 313.357 1.621 10 10 DDCE CCN(CCOCCO)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-] 844212872 OJSNZJSRFMJWIP-GQCTYLIASA-N 324.333 1.528 10 10 DDCE COc1ccnc(CNCc2cc3c(cc2O)OCO3)c1F 850380452 GFJXVZIVRWEVJF-UHFFFAOYSA-N 306.293 1.953 10 10 DDCE C[C@@H](Cn1cncn1)NCc1ccc(N2CCC(O)CC2)cc1 850569023 QKZIJAJGYHFPPU-AWEZNQCLSA-N 315.421 1.418 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)N)C2)cc1 851664618 HFGXLRVTFQWFTH-LBPRGKRZSA-N 306.410 1.310 10 10 DDCE COc1ccc(CNC(=O)c2nc([C@H]3C[C@H]3C)no2)c(O)c1 865988062 MJKLLSDXVKMRJQ-KCJUWKMLSA-N 303.318 1.837 10 10 DDCE Cc1cc(CN2CC[C@@H](O)[C@@H](O)C2)ccc1N1CCCCC1 879609479 XIOPIWJVNUWPJD-MSOLQXFVSA-N 304.434 1.913 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCNC1=O 878008801 OFRAVVUPFZDGAG-AWEZNQCLSA-N 303.406 1.627 10 10 DDCE Cc1nc(F)ccc1/C=C1\SC(=S)N(CC(N)=O)C1=O 779204637 RFKJWMDPOBLCBY-YWEYNIOJSA-N 311.363 1.216 10 10 DDCE CCOc1cccc(CN[C@@H](C[C@@H]2CCCO2)C(=O)OC)c1O 895863108 KWRTVCAAJPRSAP-KBPBESRZSA-N 323.389 1.991 10 10 DDCE C[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)c1ccccc1O 1302538004 CSUKMBJKHQHDGQ-QMMMGPOBSA-N 310.331 1.124 10 10 DDCE CNCc1ccc(N(C)Cc2cnn(C)n2)cc1Br 2115763827 AFHYJTIBAHLYEM-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1[C@H]2C[C@@H]3CO[C@@H]1[C@H]3C2 1329620626 MMLAXPXAMYMNKK-VDWVTBSASA-N 301.342 1.651 10 10 DDCE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)C(=O)N1Cc2cccc(O)c2C1 1331874200 BMCPHQIVVCDDMS-VZZFWQQMSA-N 314.385 1.643 10 10 DDCE COC(=O)[C@@H](C)S(=O)(=O)N(C)[C@@H](C)c1ccccc1O 218722488 RIYABDQGFYEPEJ-VHSXEESVSA-N 301.364 1.276 10 10 DDCE C[C@@H](N)c1ccc(N(C)[C@H]2CCNC2=O)cc1Br 1916797512 BVKIQBPLPKMYHD-PELKAZGASA-N 312.211 1.794 10 10 DDCE CCOc1cc(CNCC(=O)O)ccc1N(C)CCC(=O)O 212034314 BGKGISQYPHTALB-UHFFFAOYSA-N 310.350 1.170 10 10 DDCE COc1cc(CNCCCNC(C)=O)ccc1N1CCCC1 212665619 NMFCUOUQGMSADZ-UHFFFAOYSA-N 305.422 1.911 10 10 DDCE CN1C[C@@]2(C)CN(C(=O)Cc3ccc(O)c(O)c3)C[C@@]2(C)C1 1470673533 DWKBZMLHTPBKJB-CALCHBBNSA-N 304.390 1.441 10 10 DDCE CCOc1ccc(N2CCN(C(=O)c3cnn(C)n3)CC2)cc1 1545931580 NHGHVQQMMZPUOD-UHFFFAOYSA-N 315.377 1.176 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2cnco2)cc1C 1491541985 AQDUAWYPQHXSRL-GFCCVEGCSA-N 303.362 1.900 10 10 DDCE CCN1CCO[C@@H](C(=O)NCc2c(O)ccc3ccccc23)C1 1639384123 FZTVKPZBTOSNEB-QGZVFWFLSA-N 314.385 1.882 10 10 DDCE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ncnn1C 1568644176 RUWBLQMTKNEAAT-QMMMGPOBSA-N 301.310 1.469 10 10 DDCE NC(=O)c1c[nH]c(C(=O)NCc2c(O)ccc3ccccc23)c1 1647791844 WQTUDCJOUFUTSZ-UHFFFAOYSA-N 309.325 1.902 10 10 DDCE NC(=O)CN(Cc1ccccc1)c1c(F)cc(CO)cc1F 1931975110 YXSAOFIVLIGTCW-UHFFFAOYSA-N 306.312 1.949 10 10 DDCE CON(C)C1CN(c2ccc(CO)cc2Br)C1 1941109803 USYLWZIWHLXZRK-UHFFFAOYSA-N 301.184 1.623 10 10 DDCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H]1COC[C@@H]1O 1977930329 URSBWPBCCSLTMT-CABCVRRESA-N 322.405 1.907 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NCc2cccc(O)c2O)C1 1985826959 FYMWDDUSPXMXNT-YPMHNXCESA-N 324.377 1.168 10 10 DDCE CN(C)c1ccc(CNC[C@@H](CO)NC(=O)OC(C)(C)C)cc1 1985856923 LWRLWOVKLHXQHF-AWEZNQCLSA-N 323.437 1.728 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@](CO)(NCc2ccc(N)cc2)C1 1988731326 LTMLFGODPIJKJA-KRWDZBQOSA-N 321.421 1.730 10 10 DDCE CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1cccc(F)c1O 2152915914 KITTYPWTDFNNRP-STQMWFEESA-N 301.383 1.977 10 10 DDCE Oc1nnc(CNCc2c(O)cccc2Br)o1 2023061611 NGLDVHSQONWJIK-UHFFFAOYSA-N 300.112 1.533 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)N1CCC[C@H](CO)C1 2157772957 SHOCBDKXZCXKKM-VIFPVBQESA-N 320.798 1.407 10 10 DDCE CCN1CCN(c2ccc(CN)cc2Br)CC1=O 2040924519 GCTHIMWKSDSBAO-UHFFFAOYSA-N 312.211 1.576 10 10 DDCE C[C@@H](O)c1ccc(N2CC(C)(CS(C)(=O)=O)C2)c(F)c1 2173194641 GPPRKVYMKDQXSY-SNVBAGLBSA-N 301.383 1.750 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2CS(=O)(=O)C[C@@H]2C)c1O 711726743 NBHWRHWZIKAWMR-KWQFWETISA-N 319.810 1.577 10 10 DDCE Nc1ccc(O)c(CNC(=O)c2ncncc2Br)c1 388226903 AJYKENDGRLNGKT-UHFFFAOYSA-N 323.150 1.457 10 10 DDCE CO[C@@]1(C)C[C@@H](NC(=O)c2cnn3c(O)cc(C)nc23)C1(C)C 2064582639 XFALRLFIQBZTKG-BZNIZROVSA-N 318.377 1.677 10 10 DDCE Nc1ccc(OCCNS(=O)(=O)[C@@H]2CCC[C@H]2F)cc1 2175510375 WMDKIKWMFVEUBA-CHWSQXEVSA-N 302.371 1.458 10 10 DDCE CCCS(=O)(=O)C[C@H](C)N[C@@H](C)c1c(O)cccc1O 2170588890 CINJVBDZRHHFSU-QWRGUYRKSA-N 301.408 1.962 10 10 DDCE CCCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc(O)c(O)c1 2170591221 YNQUVHGSFLRBME-SECBINFHSA-N 301.364 1.041 10 10 DDCE CSCCN1CCN(c2ccc(CN)c(F)c2F)CC1 2171552975 JUBPGOFZSYFFER-UHFFFAOYSA-N 301.406 1.909 10 10 DDCE C[C@H](N)c1cc(F)c(N2C[C@H]3C[C@H]2CS3(=O)=O)c(F)c1 2194691238 QLYIORSMQUBMIT-UJNFCWOMSA-N 302.346 1.360 10 10 DDCE CO[C@H](CN(C)S(=O)(=O)Cc1ccc(N)cc1)C(C)C 2188446413 CBDRMQGZDDBSHB-CQSZACIVSA-N 300.424 1.701 10 10 DDCE Cc1cccc(CN=c2cc(Br)[nH]c(=N)[nH]2)c1O 2084064729 QRYNYOMMAMXRCV-UHFFFAOYSA-N 309.167 1.700 10 10 DDCE COc1cc(Cl)cc(CN2C[C@@H](O)C[C@@H]2C(=O)O)c1O 2200876161 JQNHSYVLHATORP-VHSXEESVSA-N 301.726 1.074 10 10 DDCE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1c1ccc(CN)cc1Cl 2113894469 NGKAKPIVWKQSEO-NXEZZACHSA-N 302.827 1.811 10 10 DDCE CCN(CCC(=O)O)C(=O)NCc1cnc(SC)s1 2269119602 UGQIZVZFMBCJPC-UHFFFAOYSA-N 303.409 1.871 10 10 DDCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1nc(C(F)(F)F)cs1 2296175959 FVVGNPTUIHRCMI-LURJTMIESA-N 308.289 1.978 10 10 DDCE CC(C)(C)[S@](=O)CCNC(=O)C=Cc1ccc(O)c(O)c1 2307987326 SIRXWUYXQUXRMC-OAQYLSRUSA-N 311.403 1.774 10 10 DDCE Cc1ccc(CN[C@@]2(CO)CCOC2)c(O)c1Br 2327796607 KBEKZUCNXPVBSO-CYBMUJFWSA-N 316.195 1.704 10 10 DDCE COCCOC[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2O)C1 173733589 XPFQECHSSHUOHZ-GFCCVEGCSA-N 310.350 1.785 10 10 DDCE COC(=O)CCCNC(=O)CN(C)c1ccc(OC)c(F)c1 177067002 JQBGVHPRXBUHGS-UHFFFAOYSA-N 312.341 1.340 10 10 DDCE O=C(O)CN1C(=O)/C(=C\N2CCc3ccccc32)SC1=S 28615134 BJZNWKLHLVJFND-YRNVUSSQSA-N 320.395 1.835 10 10 DDCE CN(C)c1ccc(CNS(=O)(=O)C2CCOCC2)cc1F 103158340 WGZSTZDGTOCGRK-UHFFFAOYSA-N 316.398 1.490 10 10 DDCE COc1cc(Br)cc([C@](C)(N)CC(=O)O)c1O 1952337748 LRWSKRMZSHUNLO-LLVKDONJSA-N 304.140 1.812 10 10 DDCE Cc1[nH]c(=O)sc1S(=O)(=O)N(C)Cc1ccccc1O 37926707 DTAXFKYOKBRRJS-UHFFFAOYSA-N 314.388 1.271 10 10 DDCE NS(=O)(=O)Nc1cccc(NCc2ccc(O)cc2O)c1 37130802 CFPBPBNWZNEBHC-UHFFFAOYSA-N 309.347 1.325 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](O)C2)cc1Br 235223807 VAKBHHBHRUXHAW-MKCWBWRRSA-N 301.184 1.011 10 10 DDCE CCCOc1ccc(CN2CCCN(C(N)=O)CC2)c(O)c1 92754257 ZFBNEJCYPXWJDA-UHFFFAOYSA-N 307.394 1.767 10 10 DDCE COc1cc(Cl)cc(CN2CC(O)(CC(=O)O)C2)c1O 2166989734 NMMWYKQMMNCHMG-UHFFFAOYSA-N 301.726 1.076 10 10 DDCE CC(C)OC[C@@H](O)CNCc1ccc(N2CCOCC2)cc1 818973641 UEGKNIMYKUOQOU-KRWDZBQOSA-N 308.422 1.399 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H](O)C3CCC3)CC2)cc1F 826970409 LMMCXPKXRYGBDZ-INIZCTEOSA-N 322.380 1.644 10 10 DDCE CCCc1cc(N(CC)CCNS(=O)(=O)CC)ccc1N 585668522 JDNOIFPYESUCEY-UHFFFAOYSA-N 313.467 1.987 10 10 DDCE Cn1nc2c(c1C(=O)NCc1ccc(O)cc1O)CSCC2 910958093 WTOMBFHQFMHJEK-UHFFFAOYSA-N 319.386 1.551 10 10 DDCE COc1ccc(O)c(CN2CCn3c(CC4CC4)nnc3C2)c1 846014187 QJDVIQSFTIBNEP-UHFFFAOYSA-N 314.389 1.961 10 10 DDCE NC/C=C\CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 841997631 SWOAZFDAHILFOF-ABCZVMIZSA-N 319.405 1.598 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@H]1CCN(CC(F)F)C1 922921447 GXGTUZUZAIXSBP-VIFPVBQESA-N 317.311 1.670 10 10 DDCE CCc1n[nH]cc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855232498 REXYHSYGRZEYGT-LBPRGKRZSA-N 314.389 1.989 10 10 DDCE C[C@H](N[C@H](CO)c1ccnn1C)c1cc([N+](=O)[O-])ccc1O 858434983 VSRHBCYEKLWVAB-JOYOIKCWSA-N 306.322 1.418 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C2)cc1 855229077 HKUCNSXYMSVMQK-WMLDXEAASA-N 319.449 1.976 10 10 DDCE CC(=O)NCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 854237315 SHUCEABOKYBEBE-UHFFFAOYSA-N 313.401 1.889 10 10 DDCE CN(C)c1ccc(CNCc2c3c(nn2C)CCOC3)cc1F 921623806 NCEZFJMPMQGHCX-UHFFFAOYSA-N 318.396 1.988 10 10 DDCE COc1cccc(O)c1CNCC[S@](=O)CC(F)(F)F 850347932 AWJRDHDCRABCBL-FQEVSTJZSA-N 311.325 1.801 10 10 DDCE COc1ccc(N(C)CCN(C)C[C@]2(O)CCCOC2)cc1 852211860 PWFZBHCOXLOFKS-QGZVFWFLSA-N 308.422 1.605 10 10 DDCE C[C@@H]1CN(C(=O)CN(C)c2ccc3c(c2)OCO3)CC(C)(C)O1 930095731 ZECLESZLPQBGNY-GFCCVEGCSA-N 320.389 1.877 10 10 DDCE CC[C@H](NC[C@@]12COCCN1C(=O)OC2)c1ccccc1O 866521582 NRVWQTOXGFNVBO-BBRMVZONSA-N 306.362 1.654 10 10 DDCE COCc1nc(COc2ccc(N(C)C)c(C(=O)OC)c2)no1 865395223 MUSKWTKLOLSKKR-UHFFFAOYSA-N 321.333 1.648 10 10 DDCE CCOC(=O)C1(C(=O)N2Cc3cccc(O)c3C2)CCOCC1 871205786 YMHCZVXBANTDQD-UHFFFAOYSA-N 319.357 1.594 10 10 DDCE Cn1nnc(Br)c1C(=O)N1Cc2cccc(O)c2C1 871204761 JXNLXBKADSOWIZ-UHFFFAOYSA-N 323.150 1.439 10 10 DDCE O=S1(=O)CC[C@H](Cc2nccn2Cc2ccccc2O)C1 82736933 XZMOEAKHSLNMQQ-GFCCVEGCSA-N 306.387 1.614 10 10 DDCE CN(CC[S@@](C)=O)Cc1c(O)cccc1Br 707145325 YLNSFRPNPNZQSP-MRXNPFEDSA-N 306.225 1.965 10 10 DDCE COc1nn(C)cc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 797649835 UVASMOFUUYXHIY-SECBINFHSA-N 320.349 1.593 10 10 DDCE COc1cc(N2CC3(CCNC(=O)O3)C2)c([N+](=O)[O-])cc1OC 1187774789 WMLLVXOCKNHJMA-UHFFFAOYSA-N 323.305 1.301 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)cc1 1261579769 YCYJODAMHJPLDW-VNHYZAJKSA-N 319.405 1.370 10 10 DDCE C[C@@H](NC(=O)C(=O)N[C@@H]1[C@H]2CCC[C@H]21)c1ccc(N(C)C)cc1 1261112902 HBYFOMSDXNPKOT-FWYOQMDTSA-N 315.417 1.845 10 10 DDCE CCCN(CC(=O)NC)C(=O)c1ccc(N=NC(N)=O)cc1 1442108032 SSEVLXBGUXBWCQ-UHFFFAOYSA-N 305.338 1.447 10 10 DDCE CN(C)c1ccc(CNC(=O)C2=C3CCCN=C3NN2)cc1F 1292282105 KNUMHRMGLYYFCX-UHFFFAOYSA-N 317.368 1.062 10 10 DDCE Cn1cc([C@H](O)C(=O)NCCCSc2nccs2)cn1 1292996952 JNGFQMNPLAUAEF-JTQLQIEISA-N 312.420 1.209 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](O)[C@@H](CO)C1 1469083996 POCOTWHYKXXASA-NXEZZACHSA-N 323.370 1.128 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](O)[C@H](CO)C1 1469083997 POCOTWHYKXXASA-UWVGGRQHSA-N 323.370 1.128 10 10 DDCE Nc1nnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)o1 1617300476 VPXBMKINCUROJC-UHFFFAOYSA-N 306.303 1.208 10 10 DDCE NCc1ccc(N(CCCO)CCCO)c(Br)c1 1922156778 MQWQSBLVOYTRNV-UHFFFAOYSA-N 317.227 1.479 10 10 DDCE CN1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1=O 1557524203 UADNDUCCLQUTPI-NSHDSACASA-N 303.322 1.200 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cccc2ncnc(O)c12 1630306907 PPQVHPPMDBGVOR-UHFFFAOYSA-N 311.297 1.677 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cc2n(n1)CCC[C@@H]2O 1635846769 ATIJFJPBGGGQSG-AWEZNQCLSA-N 303.318 1.052 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCOC1CCSCC1 1636948944 WIYAFQWQBGCENA-UHFFFAOYSA-N 311.403 1.669 10 10 DDCE O=C(CNC(=O)c1ccc(O)cc1)NCc1c(O)cccc1F 1654828852 JBTRULNJNIRCAF-UHFFFAOYSA-N 318.304 1.283 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(c2ncc[nH]2)CC1 1583786893 PDMOGDDVGUZOAV-UHFFFAOYSA-N 301.346 1.770 10 10 DDCE C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Cc1ccc(O)c(O)c1 1597466996 JFSNZTAXTQYOFV-OLZOCXBDSA-N 306.406 1.877 10 10 DDCE O=C1N[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)CS1 156322387 YPZQTUMZIJIJBP-LBPRGKRZSA-N 306.387 1.712 10 10 DDCE CNCc1ccc(N2C[C@H]3C[C@@]3(CO)C2)c(Br)c1 2029636749 WYERFBNADOVIGP-RISCZKNCSA-N 311.223 1.987 10 10 DDCE C[C@H](NCc1c(O)cccc1Br)c1nc(O)n[nH]1 706868369 KPHVXAKOAAZWDU-LURJTMIESA-N 313.155 1.829 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CNC[C@@H]1CN2CCN1CC2 394681009 CNDZQNAVYXJAIS-GFCCVEGCSA-N 316.232 1.788 10 10 DDCE CC[C@H]1CN(C(=O)c2cnn3c(O)cc(C)nc23)[C@@H](CC)CO1 2062347060 VTUDYHUBPXRLHI-RYUDHWBXSA-N 318.377 1.773 10 10 DDCE C[C@@H](CS(=O)(=O)C(C)(C)C)NCc1cccc(O)c1O 2170589341 PQVOCKZHNLDWCM-JTQLQIEISA-N 301.408 1.789 10 10 DDCE COc1ccc(N2C[C@H]3[C@H](N)[C@H]3C2)c(OC)c1Br 2045672915 ZBWQAZOGNDFNOR-JDICNCQASA-N 313.195 1.860 10 10 DDCE CN(C)C(=O)C1CN(c2ccc(CN)cc2Br)C1 2057399902 PMJOHPWURHHGLY-UHFFFAOYSA-N 312.211 1.432 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1CCNCC[C@@H]1CO 2071626675 HZSHPAYGFGLASQ-BXKDBHETSA-N 314.227 1.804 10 10 DDCE NCc1ccc(N2CC[C@@H]3CC(=O)N[C@@H]3C2)c(Br)c1 2088806102 LQRFIGBTAGETKS-ZYHUDNBSSA-N 324.222 1.623 10 10 DDCE Oc1cccc(Br)c1CN[C@@H]1COC2(COC2)C1 2258400264 GZPRJYGCYOHYSM-VIFPVBQESA-N 314.179 1.802 10 10 DDCE COC[C@H](C)OC[C@@H](O)CNCc1cnc(SC)s1 2269199694 KHPFKRJMXGAWDC-UWVGGRQHSA-N 306.453 1.367 10 10 DDCE CN(c1ccc(CN)c(F)c1)[C@H]1CC[C@@H](S(C)(=O)=O)C1 2361594032 XDFJZYVWZXWGCB-WCQYABFASA-N 300.399 1.686 10 10 DDCE O=C1NC(=S)NC(=O)C1=CNc1ccnn1C1CCCCC1 60864647 GBCNXXFPYXKLPI-UHFFFAOYSA-N 319.390 1.215 10 10 DDCE C[C@@H]1CCCN1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 184859578 KIXQCCJHSLZRCT-CYBMUJFWSA-N 311.451 1.914 10 10 DDCE Oc1cc2c(cc1CN1CC[C@](O)(C(F)(F)F)C1)OCO2 93612157 JNYZEEGIZODMCW-GFCCVEGCSA-N 305.252 1.620 10 10 DDCE NCc1ccc(N2CCO[C@@H](CO)C2)c(F)c1Br 231840432 SLZRUYKRIRXZAG-SECBINFHSA-N 319.174 1.244 10 10 DDCE CO[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1C 251995586 WFPNUBIQICWVQL-RHSMWYFYSA-N 319.449 1.726 10 10 DDCE O=C(O)CN1C(=O)/C(=C\c2cnn3ccccc23)SC1=S 729674771 LVHJMRZNVSZDGT-BJMVGYQFSA-N 319.367 1.620 10 10 DDCE COc1cc(O)c(CN(CCO)[C@H]2CCO[C@@H]2C)cc1OC 825130182 OZYHDBUMLXEBPN-YPMHNXCESA-N 311.378 1.381 10 10 DDCE COC[C@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCOC1 824983444 WYZZJCKBMXZKEU-GOSISDBHSA-N 318.417 1.956 10 10 DDCE CO[C@H](C)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 588553486 PJROXNSGVIRVHS-BMWLXYDHSA-N 304.390 1.688 10 10 DDCE CC(C)(C)OC(=O)C1(C(=O)NCCc2ccc(O)c(O)c2)CC1 845834966 ZYVZQVMDCDLWMP-UHFFFAOYSA-N 321.373 1.878 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]4C=C[C@H]3O4)CC2)cc1 929250308 PQKBDALVSSLANF-BRWVUGGUSA-N 314.385 1.687 10 10 DDCE O=S(=O)(NCc1c(O)cccc1F)[C@H]1C[C@@H]2CC[C@H]1O2 921450555 AQKBRXDGMDODLK-CKLFPEKLSA-N 301.339 1.271 10 10 DDCE COc1ccc(N(C)C[C@@H](C)CS(C)(=O)=O)cc1OC 757823932 UDGLYRPRXVXSAI-LLVKDONJSA-N 301.408 1.821 10 10 DDCE CN(C)c1ccc(CNCCS(=O)(=O)CC(F)(F)F)cc1 850364181 SBQNSEZRFQNVLW-UHFFFAOYSA-N 324.368 1.819 10 10 DDCE O=C(N[C@@H]1CCN(C2CCC2)C1=O)c1c(F)ccc(O)c1O 863944601 NERJUSUIMXFADK-SNVBAGLBSA-N 308.309 1.120 10 10 DDCE Nc1ccc(CS(=O)(=O)NCCOCc2ccccc2)cc1 389952650 XEXUHQBSBSVZNO-UHFFFAOYSA-N 320.414 1.905 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)c(Cl)c1 703140340 YWZWLHPOHFBZMN-MWLCHTKSSA-N 317.842 1.488 10 10 DDCE NC(=O)CCc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1143392902 WKIUNBWLAHTFBV-UHFFFAOYSA-N 314.341 1.697 10 10 DDCE CN[C@@H](C)c1ccc(N(C)CCCS(C)(=O)=O)c(F)c1 694153407 FWZYKDAAPGJQJY-NSHDSACASA-N 302.415 1.977 10 10 DDCE CC(C)[C@H](NCC(F)(F)F)C(=O)NCc1cccc(O)c1O 1350300202 NWDSKZKJSRKQSR-NSHDSACASA-N 320.311 1.891 10 10 DDCE COC1(C(=O)O)CN(Cc2c(O)cccc2Br)C1 1917698346 GVVHYOBUQSINDP-UHFFFAOYSA-N 316.151 1.440 10 10 DDCE CCn1cnnc1CCNC(=O)c1ccc(N=NC(N)=O)cc1 1464968321 AKQBRBZIBJZSIS-UHFFFAOYSA-N 315.337 1.433 10 10 DDCE CC(C)C[C@H]1C(=O)NCCN1C(=O)Cc1ccc(O)c(O)c1 1616827447 CIIDPUZGBDPLCL-LBPRGKRZSA-N 306.362 1.013 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1=CS(=O)(=O)CCC1 1624479414 CGFXESFVOAYXBC-UHFFFAOYSA-N 322.430 1.804 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2C[C@H]3CC[C@@H](O)[C@H]3C2)cc1 1620577300 BIMGVJPQXQWHFM-HYVNUMGLSA-N 317.433 1.072 10 10 DDCE C[C@H](NC(=O)NCc1nnc2n1CCOC2)c1ccccc1O 1634913837 SPANQASBJPYRNU-JTQLQIEISA-N 317.349 1.074 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2ccnn2C)cc1C 1569048559 YUCZRCQHDYRLSM-ZDUSSCGKSA-N 316.405 1.645 10 10 DDCE C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2cc(O)ccc2O)C1 1651225402 IAKJWDIFZUNFSI-RNCFNFMXSA-N 301.346 1.803 10 10 DDCE CS(=O)(=O)N[C@@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 160210431 GIABRPMMYTZJPH-OAHLLOKOSA-N 324.446 1.395 10 10 DDCE O=C(N[C@@H](C(=O)O)c1cc(O)nc(O)c1)OCc1ccccc1 1951742408 YIAGPDRQQOZBAB-CYBMUJFWSA-N 318.285 1.545 10 10 DDCE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O 1985017586 YFMIZZMDXUSVIS-GWCFXTLKSA-N 324.377 1.283 10 10 DDCE CNCc1ccc(N2CC(CO)(OC)C2)c(Br)c1 2039545690 AKFLLMYJFWWZOX-UHFFFAOYSA-N 315.211 1.366 10 10 DDCE NCc1ccc(N2C[C@H](CO)C[C@H]2CO)c(Br)c1 2029385999 YQRCMABPLYCUCU-MNOVXSKESA-N 315.211 1.087 10 10 DDCE Oc1c(F)cc(Br)cc1CNC[C@H]1COC[C@H]1O 2036576572 JPYIBICHCPJYMJ-GZMMTYOYSA-N 320.158 1.391 10 10 DDCE CN(Cc1cc(F)ccc1O)C[C@H]1CCCCS1(=O)=O 694399119 PKUCLUYJOHZHJS-CYBMUJFWSA-N 301.383 1.930 10 10 DDCE CCNC(=O)c1cn([C@H](C)c2cc(OC)ccc2O)nc1O 2070634771 DQUOQDYGYLVJEM-SECBINFHSA-N 305.334 1.662 10 10 DDCE C[C@H](N)c1cc(F)c(N2CC[C@@H](S(C)(=O)=O)C2)c(F)c1 2194703882 WPZZRGPHGNCVKX-WCBMZHEXSA-N 304.362 1.608 10 10 DDCE NCc1ccc(N2C[C@@H]3NC(=O)O[C@H]3C2)cc1Br 2056816933 URULMIVAYFMAHP-QWRGUYRKSA-N 312.167 1.205 10 10 DDCE C[C@H]1CNC(=O)CN1c1ccc([C@@H](C)O)cc1Br 2060842294 HTSXEVBPHHEUFE-DTWKUNHWSA-N 313.195 1.827 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC[C@H](COc2nnc(=N)[nH]n2)CC1 2210649053 FMCLLVMXALRFFS-MGCOHNPYSA-N 324.385 1.141 10 10 DDCE Cn1cc(NS(=O)(=O)Cc2ccc(N)cc2)c(Cl)n1 2230763108 SJLHCHGGIJFGDU-UHFFFAOYSA-N 300.771 1.598 10 10 DDCE COc1ccc(N2CCSC[C@@H]2S(C)(=O)=O)c(CO)c1 2235999003 DOZRPYCVWNSXBZ-ZDUSSCGKSA-N 317.432 1.111 10 10 DDCE COCC[C@@]1(C(=O)NCc2cnc(SC)s2)CCCN1 2284495403 YOXSGQQAEQOOJQ-CYBMUJFWSA-N 315.464 1.640 10 10 DDCE O=C1NC(=S)SC1=Cc1coc2ccc(O)cc2c1=O 2296311861 SKUUZXLNRWOOEK-UHFFFAOYSA-N 305.336 1.987 10 10 DDCE COc1cccc(CNc2nn(C)nc2Br)c1O 2320057585 CPVWKGAGVRHHSR-UHFFFAOYSA-N 313.155 1.904 10 10 DDCE CCN(C(=O)CCc1ccc(N)cc1)[C@@H]1CCS(=O)(=O)C1 20186632 BHYAEMSVQCOWFG-CQSZACIVSA-N 310.419 1.237 10 10 DDCE O=C([C@H]1CCCN(Cc2ccccc2O)C1)N1CCOCC1 179555367 SORLAHYODBLTCJ-HNNXBMFYSA-N 304.390 1.463 10 10 DDCE Nc1ccc(CC(=O)N2CCN(c3nccs3)CC2)cc1 21010770 GFXKDUUMNZYCPR-UHFFFAOYSA-N 302.403 1.617 10 10 DDCE CC(C)(C)OC(=O)N1CCCN[C@@H](c2cc(O)nc(O)c2)C1 1952609408 XOGZEHGNTQFCSE-LLVKDONJSA-N 309.366 1.764 10 10 DDCE COc1ccc(O)c(CNC(=O)c2ccc3c(c2)NC(=O)C3)c1 188499231 ZVNHAGOZAGFQJK-UHFFFAOYSA-N 312.325 1.825 10 10 DDCE Cc1nc(NC(=O)Cc2ccc(N)cc2)sc1C(=O)N(C)C 71700285 UWJNRFRADKHFAH-UHFFFAOYSA-N 318.402 1.917 10 10 DDCE O=C(CN1C(=O)CSC1=S)NCc1ccc(Cl)cc1 82307301 ARRSUSNIPKQDQY-UHFFFAOYSA-N 314.819 1.817 10 10 DDCE CC1CCN(c2ccc(CNC(=O)C(C)(CO)CO)cc2)CC1 134301479 JCUMSGIIABMZTR-UHFFFAOYSA-N 320.433 1.530 10 10 DDCE Cc1cc(I)c(O)c([C@@H]2COCCN2)c1 238545937 OMHWNUAKXJDKPL-JTQLQIEISA-N 319.142 1.966 10 10 DDCE CCN(CC)c1ccc(/C=C2\NC(=O)N(CC(=O)O)C2=O)cc1 96544880 SACLWTSEOAOKTN-LCYFTJDESA-N 317.345 1.510 10 10 DDCE COC(C)(C)CS(=O)(=O)NCc1ccc(N(C)C)c(F)c1 289263713 CEEOFCVEVDFTOY-UHFFFAOYSA-N 318.414 1.736 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccccc1NC(=O)NC(C)C 808498509 PPCHVKPXCAIPAP-UHFFFAOYSA-N 306.318 1.531 10 10 DDCE CN(CC[S@](C)=O)Cc1cc(Br)ccc1O 399848857 JRPWMRKFNAFZOW-INIZCTEOSA-N 306.225 1.965 10 10 DDCE O=C1CN(Cc2ccccc2O)C(=O)N1CC1=CCOCC1 819169530 LHLCOPRJYNUEFB-UHFFFAOYSA-N 302.330 1.503 10 10 DDCE CC1(O)CC(C(=O)NCc2cc(Br)ccc2O)C1 831937501 SQZNUVFHVNRAHZ-UHFFFAOYSA-N 314.179 1.932 10 10 DDCE CCNC(=O)N1CCN(Cc2cc(C)cc(OC)c2O)CC1 748060631 DTTIGOIFTGBMAC-UHFFFAOYSA-N 307.394 1.556 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CC[C@]2(CCCN2)C1 841105896 BOFAZBCWOPGONW-GOSISDBHSA-N 301.434 1.851 10 10 DDCE COCCN(CC(=O)OC)Cc1c(O)cc(C)cc1Cl 840915310 OKPYBEHDQORRRT-UHFFFAOYSA-N 301.770 1.975 10 10 DDCE Cc1cc(C(=O)N2CCn3nncc3C2)c(C)n1-c1ccccn1 848269702 JHPHCEAPCSOKNM-UHFFFAOYSA-N 322.372 1.737 10 10 DDCE COc1ccc(N2CC[C@H](N[C@H]3CN4CCC[C@H]3C4)C2)cc1 926679797 GCPBGFNMTZKGPK-MPGHIAIKSA-N 301.434 1.958 10 10 DDCE COc1ccc(N2CCN(C[C@H]3CCC4(COC4)O3)CC2)cc1 929152947 KCJBCJVWWJWDKO-QGZVFWFLSA-N 318.417 1.765 10 10 DDCE CCOC(=O)[C@H]1[C@H]2CN(C(=O)c3cccc(O)c3O)CC[C@H]21 928117538 VQMDJATYADJOAE-SUZMYJTESA-N 305.330 1.369 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cncn3C)C2)cc1 855227059 VUYJADLAGQNAKI-GFCCVEGCSA-N 300.362 1.437 10 10 DDCE OCCO[C@@]1(CNCc2c(O)ccc(Cl)c2F)CCOC1 850358288 MZOPOKJGUIFTJI-CQSZACIVSA-N 319.760 1.442 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cc3ccn(C)n3)C2)cc1 855224501 LCTZXRBYLNCZPO-AWEZNQCLSA-N 314.389 1.366 10 10 DDCE Cc1cc(C2(NC(=O)c3cccc(O)c3O)CCOCC2)on1 863712787 YRAPXKZLMZCEAY-UHFFFAOYSA-N 318.329 1.830 10 10 DDCE CC[C@@H]1NCC[C@H]1NCc1ccc(N2CCN(C)CC2)cc1 863482127 UKYMIYVKFIDHJN-ZWKOTPCHSA-N 302.466 1.669 10 10 DDCE CCOc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cn1 867691099 RHVQVGANSMZHCJ-UHFFFAOYSA-N 320.370 1.890 10 10 DDCE CCOc1ccc(CN2CCN([C@H](CC)CO)CC2)c(O)c1 769501935 GBLRWCXMWSEYNH-OAHLLOKOSA-N 308.422 1.679 10 10 DDCE O=C1OCC[C@@H]2CN(Cc3c(O)ccc4ccncc34)CCN12 763321649 QUPVVGSJAPNZCZ-CYBMUJFWSA-N 313.357 1.967 10 10 DDCE CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)c1cc(O)cs1 776287081 GENKXUOMTVSESY-KOLCDFICSA-N 313.375 1.636 10 10 DDCE CCN(Cc1cn(C)nn1)Cc1cc(OC)c(OC)cc1O 781581724 JVHNJNSGTHJANV-UHFFFAOYSA-N 306.366 1.560 10 10 DDCE C[C@H]1C(=O)NCCN1C(=O)c1cc2cc(O)c(O)cc2s1 896114785 IUMICKUZFMKCKN-ZETCQYMHSA-N 306.343 1.273 10 10 DDCE COc1nccc(C(=O)NCc2ccc3cccnc3c2O)n1 1142730636 BZMZFPYFCMIOFW-UHFFFAOYSA-N 310.313 1.669 10 10 DDCE O[C@H]1COC[C@H]1NC1CCN(c2ccc3c(c2)CCC3)CC1 1616096388 LRTJFGVQQYWZDU-MSOLQXFVSA-N 302.418 1.493 10 10 DDCE Cn1c(=O)oc2cc(NC(=O)c3cccc(O)c3O)c(F)cc21 1629535674 FILMPNRADFPCAW-UHFFFAOYSA-N 318.260 1.934 10 10 DDCE CN(C)Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cn1 1622753266 OPZHKIBAWUZCCA-UHFFFAOYSA-N 315.373 1.527 10 10 DDCE C[C@@H](c1ccccc1)[C@H](NC(=O)c1cc(O)cs1)C(N)=O 1569793374 HWPLGKZQGOXBLN-ZANVPECISA-N 304.371 1.841 10 10 DDCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCC(N)=O 1565834171 QKJHSLMOCMYPBB-UHFFFAOYSA-N 313.357 1.512 10 10 DDCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](CO)Cc1ccccc1 1641303700 DEDXBMOPNSPTIO-OAHLLOKOSA-N 315.369 1.702 10 10 DDCE NS(=O)(=O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 1650672489 LYPHEKVOSIOYIF-UHFFFAOYSA-N 318.354 1.196 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)C2CC(C)C2)cc1C 1699045690 OFONRWCNASNNEB-VDSRIPIWSA-N 320.433 1.616 10 10 DDCE COc1ccc(N2CCC(NC(=O)[C@@H]3CCCNC3)CC2)cc1 167236580 OHVJNQQNNIFDGU-CQSZACIVSA-N 317.433 1.780 10 10 DDCE C[C@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccc(F)c(F)c1O 876753659 INCMOCSZQGYPSI-DTWKUNHWSA-N 305.346 1.678 10 10 DDCE CS(=O)(=O)C1(CNCc2ccc(F)c(F)c2O)CCC1 877488900 PMLAOVXGHYLFRK-UHFFFAOYSA-N 305.346 1.727 10 10 DDCE CS(=O)(=O)C[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1 897596976 ZLWTXGLFYVWFSZ-LBPRGKRZSA-N 319.810 1.291 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)Cc1ccc(Cl)cc1O 2146317078 XAXGORJUFCEYTL-DGCLKSJQSA-N 319.810 1.289 10 10 DDCE CC(C)(C)OC(=O)N1CCN(Cc2ccc(N)cc2)C[C@H](O)C1 1977921888 ZSPJEHQGKJFLSC-HNNXBMFYSA-N 321.421 1.682 10 10 DDCE CN([C@@H]1CCN(c2ccc(CO)cc2Cl)C1)S(C)(=O)=O 2146922690 GNBUURCZRXHUAA-LLVKDONJSA-N 318.826 1.302 10 10 DDCE CCN[C@@H](C)c1ccc(N2CC(S(C)(=O)=O)C2)c(F)c1 2152284706 MFKOJFDKMSVMAL-JTQLQIEISA-N 300.399 1.729 10 10 DDCE CS(=O)(=O)N[C@H]1CCN(Cc2cccc(Cl)c2O)C1 180334152 NDEQVMUYZYEVBW-JTQLQIEISA-N 304.799 1.169 10 10 DDCE C[C@H](O)c1ccc(N(C)CC(CO)CO)cc1Br 2033015090 WFGLIVUNPWGZIP-VIFPVBQESA-N 318.211 1.539 10 10 DDCE Nc1ccc(CS(=O)(=O)NCc2cncc(Cl)c2)cc1 703032626 BJPYKAYXYPKKGL-UHFFFAOYSA-N 311.794 1.937 10 10 DDCE O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccc(O)c(O)c1 398265171 VVLHQGIBFSTUNJ-HWWDLCQESA-N 324.380 1.958 10 10 DDCE CN(CC1(Cl)CC1)S(=O)(=O)CCOc1ccc(N)cc1 2237981530 IMLMTFGYOQRPQC-UHFFFAOYSA-N 318.826 1.681 10 10 DDCE CNC[C@@H](C1CC1)S(=O)(=O)NCc1cnc(SC)s1 2269282339 VUOAWIJJLYKDMM-JTQLQIEISA-N 321.493 1.282 10 10 DDCE COc1cc(OC)c(N2CC[C@@H](N)[C@H](CO)C2)cc1Cl 2285854336 OHZBKZMNQBEXLJ-GXSJLCMTSA-N 300.786 1.503 10 10 DDCE C[C@@H](NC(=O)c1ccco1)C(=O)N(C)Cc1ccccc1O 53914721 WVRSDHYFRTVGFL-LLVKDONJSA-N 302.330 1.762 10 10 DDCE Nc1ccc(N(C(=O)C(=O)Nn2cnnc2)c2ccccc2)cc1 170371528 CBBAWVKATCUPPB-UHFFFAOYSA-N 322.328 1.295 10 10 DDCE COC[C@@H](NS(=O)(=O)Cc1ccc(N)cc1)C(F)(F)F 2361716295 PJQJFBJCQRUQIW-SNVBAGLBSA-N 312.313 1.266 10 10 DDCE Nc1ccc(OC[C@H](O)CN(CCO)Cc2ccccc2)cc1 302932993 SQLUGTITPZVTHS-QGZVFWFLSA-N 316.401 1.503 10 10 DDCE COC(=O)COc1ccc(N(C)Cc2nc(C3CC3)n[nH]2)cc1 183974596 BYQGDXWJMJFINX-UHFFFAOYSA-N 316.361 1.870 10 10 DDCE O=S1(=O)CCN[C@@H](c2c(O)cccc2Br)C1 1952643179 MTPYTLRYWWNPBC-MRVPVSSYSA-N 306.181 1.214 10 10 DDCE CN1CCCN(Cc2ccc(N3CCOCC3)cc2)CC1=O 191662220 XAFQVKNBQBSVDM-UHFFFAOYSA-N 303.406 1.187 10 10 DDCE CN[C@H](C)c1ccc(N2CC(=O)NC(=O)C2(C)C)cc1Cl 97301211 CLKJBLIRZNOLPY-SECBINFHSA-N 309.797 1.862 10 10 DDCE C[C@@H]1C[C@H]1N1C[C@H](NCc2cc([N+](=O)[O-])ccc2O)CC1=O 363263833 CGZPXASDUXIEOC-IRUJWGPZSA-N 305.334 1.399 10 10 DDCE CCOc1ccc(O)c(CN2CC[C@H](N3CCOC3=O)C2)c1 826994470 IELFSUXLHSQJBB-ZDUSSCGKSA-N 306.362 1.817 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2CNCCC2(F)F)cc1 841656294 ZGNJAKBCIYAFJO-CYBMUJFWSA-N 312.364 1.549 10 10 DDCE O=C(CN1CSCCSC1)N1Cc2cccc(O)c2C1 913725988 FRAQEOZENFAYPT-UHFFFAOYSA-N 310.444 1.931 10 10 DDCE Cc1ccc(C(=O)N2CCO[C@]3(CCSC3)C2)c(O)c1O 843945471 HKHHCELBCRLRIC-OAHLLOKOSA-N 309.387 1.754 10 10 DDCE CC[C@H](NC[C@]1(OCCO)CCOC1)c1ccc(N(C)C)cc1 850506026 AWFSXFPBRBOMOX-ZWKOTPCHSA-N 322.449 1.961 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3COC[C@@H]3C)C2)cc1 923188957 VITBXRAYHJTKBU-HEHGZKQESA-N 319.405 1.608 10 10 DDCE O=C1C[C@](C(=O)N2Cc3cccc(O)c3C2)(c2ccccc2)CN1 871205537 UYQBAFKFFMERAJ-LJQANCHMSA-N 322.364 1.692 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccn3nnnc3c2)c1 1137473700 SCBVIRXQGDNEBT-SECBINFHSA-N 313.317 1.330 10 10 DDCE COc1cc(C)cc(CN[C@@H]2CCN(C3CCC3)C2=O)c1O 895415895 OKXHVXSTGYWDNO-CQSZACIVSA-N 304.390 1.952 10 10 DDCE COc1cc(NS(=O)(=O)c2c(C)nn(C)c2C)ccc1O 797820294 PKDIHTICKYWVKN-UHFFFAOYSA-N 311.363 1.552 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2ccnc3ccnn23)c1 1137473460 KDKFZBIELGJQML-JTQLQIEISA-N 312.329 1.935 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1137443096 BSASFFRPPNGUCV-XIKOKIGWSA-N 324.336 1.624 10 10 DDCE COc1cc(S(=O)(=O)N(C)Cc2ccc(N)cc2)sn1 717750691 HTGMDOBJDFCWHR-UHFFFAOYSA-N 313.404 1.555 10 10 DDCE COc1ncc(S(=O)(=O)N2CCC[C@@H]2CN=[N+]=[N-])s1 692822385 JEHYYLCVIOAGRG-SSDOTTSWSA-N 303.369 1.615 10 10 DDCE O=C(Nn1ccccc1=O)c1cc2cc(O)c(O)cc2s1 1306820338 RDUXUXCGFCKSLR-UHFFFAOYSA-N 302.311 1.858 10 10 DDCE C[C@@H]1CCn2ncc(C(=O)NCc3cc(O)ccc3O)c2C1 1303226084 WADDVEQSLXQYCX-SNVBAGLBSA-N 301.346 1.807 10 10 DDCE COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(O)c1O 1153797587 CDUSGQLPJYXJQO-NWDGAFQWSA-N 307.346 1.693 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cccc(-n2ccnn2)c1 1176756170 ZKKJVMAIUFHDPZ-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@@H](CCC(N)=O)C(=O)O)cc1 1333185465 KSJJORDOIZSNNV-XGACYXMMSA-N 305.378 1.074 10 10 DDCE COCC(=O)NC1CC(CNCc2ccc(OC)c(C)c2)C1 1275190314 HBWFOVMPCKYUOU-UHFFFAOYSA-N 306.406 1.634 10 10 DDCE CCC(=O)NC[C@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1285568993 FJCYJFOBODWFFM-JTQLQIEISA-N 319.365 1.836 10 10 DDCE Cc1cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)n(C)n1 1297524682 MICCMNBEYJEDMO-UHFFFAOYSA-N 300.322 1.821 10 10 DDCE O=C(NC[C@H]1Cc2ccccc2O1)c1c(F)ccc(O)c1O 1611328058 ZLPVAGGEOMHKGQ-SNVBAGLBSA-N 303.289 1.970 10 10 DDCE Cn1nc(C(=O)NCc2cc(O)ccc2O)cc1C(F)(F)F 1558177242 PGRXGADMTGBPHF-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE C[C@H](CS(C)(=O)=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1629022382 JNCJHPUIADEKSC-MRVPVSSYSA-N 312.351 1.012 10 10 DDCE NC(=O)C[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 1625668352 JTWACKHRNLOFCR-QMMMGPOBSA-N 320.370 1.650 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCCCNC2=O)cc1 1625499148 MTDKRQDMZLGNGU-NSHDSACASA-N 303.322 1.248 10 10 DDCE CCC(=O)NCC(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1715922312 NXNURSFJPFKNIJ-CYBMUJFWSA-N 321.421 1.124 10 10 DDCE CC[C@H](CNC(=O)c1nc[nH]n1)NCc1ccc(OC)c(C)c1 1495079852 IKLOAPWSWIBOMS-CYBMUJFWSA-N 317.393 1.420 10 10 DDCE Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2ccc(O)c(O)c2)n1 1636022848 QLZICXZTAPIPRF-UHFFFAOYSA-N 317.301 1.682 10 10 DDCE O=C(NCc1c(O)cccc1O)c1nnc(-c2ccco2)o1 1647291334 XNJNURIICDBLKM-UHFFFAOYSA-N 301.258 1.671 10 10 DDCE Nc1ccc(OCC(=O)Nc2ccc(O)c(C(=O)O)c2)cc1 1860078264 JVFHSSBFCFNRGA-UHFFFAOYSA-N 302.286 1.690 10 10 DDCE CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(N)cc2)CC1 1860082700 RNGFCZRJRJDESZ-LBPRGKRZSA-N 321.377 1.337 10 10 DDCE Cn1nnc(Br)c1CNCc1cccc(F)c1O 1967834335 KAVUYEGRIXGBKF-UHFFFAOYSA-N 315.146 1.712 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)cc2)CC[C@@H]1CO 1984273485 WTBXWJZUFZUIOH-IUODEOHRSA-N 321.421 1.981 10 10 DDCE O=S1(=O)C[C@@H]2[C@@H](CCN2Cc2ccc(F)c(F)c2O)C1 2151231913 CLYUHZIWZUQMQR-GXSJLCMTSA-N 303.330 1.289 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)cc1Cl 321261394 YWNDGYNFPYXILC-INTQDDNPSA-N 300.811 1.735 10 10 DDCE CC[C@@H](NCc1cc(Br)cc(F)c1O)C(N)=O 715804032 LKNNBFWQBLADLT-SECBINFHSA-N 305.147 1.647 10 10 DDCE NCc1ccc(N(CCO)CCCO)cc1Br 385367807 MMHSMRPHMWGXAW-UHFFFAOYSA-N 303.200 1.089 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(O)c(O)c2)CO1 722502192 JTGAYKWFKMDIPX-NSHDSACASA-N 310.350 1.738 10 10 DDCE COc1ccc(N(C)[C@](C)(CN)[C@@H](C)S(C)(=O)=O)cc1 2170647939 HSFQBBOJXZYMBQ-BXUZGUMPSA-N 300.424 1.282 10 10 DDCE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1ccc(CN)c(F)c1F 2170629472 FBYPBBFSJBXZAE-IUCAKERBSA-N 306.378 1.681 10 10 DDCE [N-]=[N+]=N[C@H]1CCC[C@@H]1NS(=O)(=O)C1CC2(C1)OCCO2 2252845731 VKKKQYXFXYCAOT-UWVGGRQHSA-N 302.356 1.043 10 10 DDCE CCOC(=O)C(F)(F)C(=O)NCc1cnc(SC)s1 2269137157 GKKFUFVERIELCW-UHFFFAOYSA-N 310.347 1.680 10 10 DDCE CS(=O)(=O)c1cscc1CNCc1ccc(O)cc1O 2288484811 RTMAUJVPKWHSLU-UHFFFAOYSA-N 313.400 1.853 10 10 DDCE COC(=O)C(C)(C)CS(=O)(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2290075184 XPZGOBUDNFAAAZ-IUCAKERBSA-N 304.372 1.336 10 10 DDCE Cc1ccc(CN2CC(=O)N(C)C2=O)c(O)c1Br 2327790278 SLTWUSPKUKRZHL-UHFFFAOYSA-N 313.151 1.857 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@@H](Sc2ncc(C(=N)NO)s2)C1 2342108229 LVKAPUMMBITRNI-RNFRBKRXSA-N 321.449 1.505 10 10 DDCE CSc1ncc(CN[C@](C)(C(=O)O)[C@H]2CCCN2)s1 2349501819 PCWPTNBNPCWSOJ-SKDRFNHKSA-N 301.437 1.550 10 10 DDCE Cc1cc(N2CCC(N)CC2)ccc1OCCS(C)(=O)=O 63063345 OEEQEVMUSUKISF-UHFFFAOYSA-N 312.435 1.346 10 10 DDCE CC(C)N(Cc1ccc(N)cc1)S(=O)(=O)N1CCOCC1 35365337 CAQCRJXSBOWNPB-UHFFFAOYSA-N 313.423 1.056 10 10 DDCE Cn1nnc2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc21 183314014 QFTBYLYGBKTTFD-UHFFFAOYSA-N 312.329 1.352 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)Nc2nccs2)cc1 47965563 NDHKHXVZGFKMOG-UHFFFAOYSA-N 304.375 1.464 10 10 DDCE COc1ccc(CN2CCc3nn(C)c(=O)cc3C2)c(O)c1 93756819 HKQAXLILLYVWET-UHFFFAOYSA-N 301.346 1.053 10 10 DDCE C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@H](N)Cc1ccc(O)c(O)c1 1952913157 HHAUNHWZUXVCOS-MWLCHTKSSA-N 324.377 1.450 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1ccc(OC(F)(F)F)cc1 808504972 QXYNPGBLZCDAGV-UHFFFAOYSA-N 304.220 1.829 10 10 DDCE C[C@@H]1C[C@H](S(=O)(=O)NCc2ccc(N(C)C)cc2)CCO1 295679439 CCMUTIDWYPNCBB-IUODEOHRSA-N 312.435 1.740 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1cn([C@H]2CCCNC2)nn1 818076418 HWSBKCWAXRBBMU-ZDUSSCGKSA-N 315.377 1.180 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(N(C)C)c2ccccc2n1 811321149 DVIAOIAEXLMUSY-UHFFFAOYSA-N 300.314 1.616 10 10 DDCE O=C(C[C@H]1CCNC1)N(Cc1ccccc1O)C[C@H]1CCCO1 829002547 BSJNCZFEDJBEMV-GDBMZVCRSA-N 318.417 1.899 10 10 DDCE O=C(NCc1cc(Br)ccc1O)[C@H]1[C@@H]2CCC(=O)[C@@H]12 908169821 ANVSSXRRUDZKMD-ICCXJUOJSA-N 324.174 1.996 10 10 DDCE OC[C@]1(O)CCCN(Cc2ccc(N3CCCCC3)cc2)C1 839156143 YHVYMXJFHHWFTQ-SFHVURJKSA-N 304.434 1.996 10 10 DDCE CCCn1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cn1 735077041 KCSFRBBBTTYCEN-RUDMXATFSA-N 311.388 1.579 10 10 DDCE C[C@@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C1CCOCC1 832267416 RSUSVJWADLBBRX-DYVFJYSZSA-N 319.449 1.931 10 10 DDCE COc1ccc(N2CC[C@H](N3C(=O)CN(C4CC4)C3=O)C2)cc1 849357704 OOGQABHHBIMSQP-AWEZNQCLSA-N 315.373 1.701 10 10 DDCE CCN(CCC(N)=O)C(=O)NCc1ccc(N(C)C)cc1C 919082051 SIYGPEPJWYFECM-UHFFFAOYSA-N 306.410 1.468 10 10 DDCE CN(C)CCn1nccc1C(=O)NCc1c(O)cccc1F 928705706 LFVQZUGPRAAEQV-UHFFFAOYSA-N 306.341 1.219 10 10 DDCE CN(CCNC(=O)C(=O)Nc1ccc(N)cc1)C1CCCCC1 841040542 OMHIPESKSZNRTO-UHFFFAOYSA-N 318.421 1.588 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](N)C(C)C)C2)cc1 851664624 HHIKUENWQCGKBO-CJNGLKHVSA-N 320.437 1.556 10 10 DDCE O=C1O[C@H](CN[C@H]2CCc3cccc(O)c32)CC12CCNCC2 925850238 VHXAPMWKCJKVAK-KBPBESRZSA-N 316.401 1.654 10 10 DDCE O[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCO1 858226785 PVHDHZMJJBTGBF-IRXDYDNUSA-N 324.396 1.292 10 10 DDCE CCn1nnc(C)c1C(=O)NCc1ccc2cccnc2c1O 862026321 KCYZESDNUGTZKX-UHFFFAOYSA-N 311.345 1.790 10 10 DDCE COc1ccc(N2CC[C@H](CNc3nc(C)nc(N)n3)C2)cc1 865888423 NTMRGGLMKOSCTI-GFCCVEGCSA-N 314.393 1.709 10 10 DDCE CC(=O)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](C)C1 779535449 XGKCCQIAJQTPTC-MALLOTDXSA-N 304.346 1.190 10 10 DDCE CCON1CCC(CC(=O)NCc2cccc(O)c2O)CC1 1123888733 KDDGERCCQVRKIY-UHFFFAOYSA-N 308.378 1.768 10 10 DDCE CON(C)C(=O)[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 899150983 ODDDNPBLQQSQRT-SSDOTTSWSA-N 324.358 1.451 10 10 DDCE Cn1cc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)cn1 1136286402 QWMHNHWONBFBHV-UHFFFAOYSA-N 300.322 1.555 10 10 DDCE Cc1nn(CC(=O)NCc2ccc(O)c(O)c2)c2ncccc12 1137443380 NLKJERCXGHXQOP-UHFFFAOYSA-N 312.329 1.467 10 10 DDCE Oc1c(F)cc(Br)cc1CN[C@H]1COC[C@@H]1O 715817313 GWOTUXQHVBSCRX-UWVGGRQHSA-N 306.131 1.143 10 10 DDCE C[C@@H](NCc1cc(Br)cc(F)c1O)c1nn[nH]n1 715810362 AIYBVWDJZMAFKB-RXMQYKEDSA-N 316.134 1.658 10 10 DDCE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)N1CCCC1 1155804859 KDNNFGRFPMBDOP-JTQLQIEISA-N 317.349 1.590 10 10 DDCE O=C(N[C@@H]1CCC[C@@H]1N1CCC(O)CC1)c1cc(O)cs1 1347942036 FOIHNQPNYUPXCL-OLZOCXBDSA-N 310.419 1.561 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1sccc1-n1ccnn1 1558175615 XWPLVXZBPHLHEQ-UHFFFAOYSA-N 316.342 1.670 10 10 DDCE C[C@](CO)(NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1631581196 CQOMAKVXMXDAOQ-QGZVFWFLSA-N 301.342 1.664 10 10 DDCE C[C@@H](O)CNCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1670362064 ZXVUQWRGNQQWOY-LLVKDONJSA-N 321.381 1.282 10 10 DDCE CN(C)c1ccc([C@H](CNC(=O)NC2CSC2)N(C)C)cc1 1684611249 ARZXPEGPTFDSOP-HNNXBMFYSA-N 322.478 1.770 10 10 DDCE O=C(O)c1ccc(CNC(=O)c2cc(O)c(O)c(O)c2)cc1 1865875870 KPUIWCZUGRPJLM-UHFFFAOYSA-N 303.270 1.432 10 10 DDCE NCc1ccc(N2CC(S(=O)(=O)C(F)F)C2)c(Cl)c1 2141741801 KEUZRHRUFSFREE-UHFFFAOYSA-N 310.753 1.625 10 10 DDCE CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CC(N=[N+]=[N-])C1 1885562942 MYFVHMLPWQZEKE-SECBINFHSA-N 313.383 1.818 10 10 DDCE COc1cc(Cl)cc(CNC[C@H]2COC[C@H]2OC)c1O 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CCOC[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 777466523 ZHCSEEDWVGZGPW-AWEZNQCLSA-N 321.421 1.747 10 10 DDCE COC(=O)[C@@H]1C[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O 891229633 FJXYURYFDZJZTD-LDYMZIIASA-N 312.753 1.654 10 10 DDCE COc1cc(C)cc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)c1O 895024792 NGPHUYQKMGJLRR-KGLIPLIRSA-N 308.422 1.596 10 10 DDCE COC(=O)c1c(CNCC(=O)N(C)C)c2cc(F)ccc2n1C 894393424 KHSWTDIONADSEP-UHFFFAOYSA-N 321.352 1.282 10 10 DDCE Oc1cc2c(cc1CN1C[C@@H](O)CC3(CCOCC3)C1)OCO2 895722180 TUOJBDFKRVKBGZ-ZDUSSCGKSA-N 321.373 1.484 10 10 DDCE C[C@H]1CC(=O)NCCN1c1ccc(CN)c(Br)c1 708258774 DGKDQXLECQWBHA-VIFPVBQESA-N 312.211 1.623 10 10 DDCE Cc1noc(CCCNC(=O)c2ccc(N=NC(N)=O)cc2)n1 1143703942 VBJIJNYISQHSFR-UHFFFAOYSA-N 316.321 1.903 10 10 DDCE CN(c1ccc(CN)cc1Cl)C1CCS(=O)(=O)CC1 694191343 ISMIWWJFYABTFG-UHFFFAOYSA-N 302.827 1.812 10 10 DDCE CN[C@@H](C)c1ccc(N2CCS(=O)(=O)CC2)cc1Cl 78904350 GKKALEXJMKANON-JTQLQIEISA-N 302.827 1.855 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1nnc2ccccc2c1O 1153879871 YRERCRWHRYSUGZ-UHFFFAOYSA-N 311.297 1.677 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc(-n2cnnn2)cc1 1162271919 WAKYILDTSOPZJP-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE O=C1NCC[C@@]1(C(=O)NCc1c(O)cccc1O)C1CCCC1 1178918173 ZVEQNHFPBCNFBW-QGZVFWFLSA-N 318.373 1.411 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccn(-c2ccncc2)n1 1178910770 HYQDWXJTYRKIKR-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN1CCN[C@@H]2COC[C@H]21 2132566226 GDSFXNBLTUWQOJ-VXGBXAGGSA-N 303.189 1.872 10 10 DDCE C[C@H](NCC(C)(C)NS(C)(=O)=O)c1ccc(F)cc1O 109041965 YPULVIDHFHIQDD-VIFPVBQESA-N 304.387 1.510 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC2(C1)CC1(C2)OCCO1 1917318477 PUCGIFOKPOOEMR-UHFFFAOYSA-N 319.357 1.396 10 10 DDCE Cn1cnc(/C=C/C(=O)N2CC(=O)Nc3c(F)cccc32)c1 1521742363 SOEWYWAVBHRRKV-AATRIKPKSA-N 300.293 1.558 10 10 DDCE COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1cccc(O)c1O 1624027296 HEGILRTZWFXXBT-ZBEGNZNMSA-N 307.346 1.950 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCN1CC[C@H](F)C1 1638347914 MVBIZQFANCHRMF-YPMHNXCESA-N 310.369 1.579 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@@H](CO)[C@@H](CCO)C2)c1O 1560231268 PXPCOXPGTODSJJ-AAEUAGOBSA-N 311.353 1.157 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\[C@H]1COC(C)(C)O1 1633818081 DLNGHDHASPEPSY-QGSKFPASSA-N 321.373 1.853 10 10 DDCE O=C(CCn1ccccc1=O)NCc1cccc(Cl)c1O 1653564000 WEXFDGLZABBAFQ-UHFFFAOYSA-N 306.749 1.914 10 10 DDCE C[C@@H](O)CNC[C@@H](C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1667063772 POJKOYKAXAFXCE-GHMZBOCLSA-N 321.381 1.280 10 10 DDCE CN[C@H](c1ccccc1O)C1(NC(=O)OC(C)(C)C)COC1 1961873330 RSGDLPWIFMNWPB-CYBMUJFWSA-N 308.378 1.946 10 10 DDCE COCCS(=O)(=O)CCNCc1c(O)cccc1Cl 2139803200 LSBVRTAYBAZQGC-UHFFFAOYSA-N 307.799 1.196 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CO)CN[C@H]1CCc2cccc(O)c21 1985856528 BZVALJUELHASNT-STQMWFEESA-N 322.405 1.855 10 10 DDCE O=S1(=O)C[C@H]2CCN(Cc3ccc(F)c(F)c3O)[C@@H]2C1 2151231915 CLYUHZIWZUQMQR-MWLCHTKSSA-N 303.330 1.289 10 10 DDCE COCCNCc1ccc(N2CC(O)C2)c(Br)c1 384183890 XANHEUZGBOMNGZ-UHFFFAOYSA-N 315.211 1.366 10 10 DDCE O=C(NCc1c(O)cccc1O)C1C[C@H]2CC(O)C[C@H](C1)C2 2064707688 QKIBSCPCMOLRIO-ZSVAQUKISA-N 305.374 1.901 10 10 DDCE CCCN(CCS(C)(=O)=O)Cc1cc(F)cc(F)c1O 2170129393 GAWSUIMNLWGXQE-UHFFFAOYSA-N 307.362 1.927 10 10 DDCE CCC1(CC)CNC(=O)[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1156932982 RJUKLFULKXUWRO-AWEZNQCLSA-N 306.362 1.061 10 10 DDCE Cc1[nH]c(=N[C@@H](C)c2ccccc2O)sc1S(N)(=O)=O 2192622279 LWNGTGQKOHAJHY-ZETCQYMHSA-N 313.404 1.400 10 10 DDCE C[C@]1(CO)COCCN1c1ccc(CN)cc1Br 2049903384 JAMFIDSFEXJPMN-ZDUSSCGKSA-N 315.211 1.495 10 10 DDCE CN(C(=O)Cn1ccnc1Br)c1ccc(N)cc1 2220479855 GZIDJCYJKMCMLX-UHFFFAOYSA-N 309.167 1.891 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2cccc(O)n2)s1 2269277996 MDWDVHKWQQJJQX-UHFFFAOYSA-N 317.417 1.444 10 10 DDCE N=C1Nc2nc3ccccc3n2[C@H](c2cc(O)cc(O)c2O)N1 2295300323 VPWVSMJEDDNACE-CYBMUJFWSA-N 311.301 1.650 10 10 DDCE COC(=O)c1ccc2c(c1)CCN2C(=O)/C=C/c1cnccn1 491120623 ROWWEBZXBDOMGQ-HWKANZROSA-N 309.325 1.866 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H]1c2ccccc2C[C@@H]1O 2308001975 JUOJJOCZDZMCGS-FUHWJXTLSA-N 311.337 1.886 10 10 DDCE Cc1ccc(CNC(=O)[C@H](C)CN)c(O)c1Br 2307467198 VRTWKQBRFRJWPO-MRVPVSSYSA-N 301.184 1.674 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CNC[C@@H](C)C2)s1 2346568470 NIALRMORTZFAGG-QPUJVOFHSA-N 301.437 1.407 10 10 DDCE CC[C@@H](C)N1CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 55065684 OJNMBNYVAOHGLO-CYBMUJFWSA-N 311.451 1.515 10 10 DDCE CCN[C@H]1C(=O)Nc2cc(N(CCO)C3CC3)c(Cl)cc21 118705868 ARHCSNFCHZTUHG-CQSZACIVSA-N 309.797 1.904 10 10 DDCE CC[C@@H]1CN(Cc2cccc(OC)c2O)CCN1C[C@@H](C)O 120739210 ZSNUJFJZCRJRMH-UKRRQHHQSA-N 308.422 1.678 10 10 DDCE COc1cc(Br)cc([C@H]2CN(C)C(=O)CN2)c1O 1952343549 ZEAZVAHRQSLFGI-SECBINFHSA-N 315.167 1.266 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@H](N)[C@H](O)C(=O)O)c1 1952353073 KPWKWEKQADFRAH-QWRGUYRKSA-N 312.322 1.185 10 10 DDCE Cc1nsc(NC(=O)c2ccn(-c3ccc(N)cc3)n2)n1 128922242 HNROJPVZSIGZCV-UHFFFAOYSA-N 300.347 1.867 10 10 DDCE COc1cc(N2CCN(Cc3cccc(C)c3O)CC2)ncn1 184436705 IQJBVBKXYDRVCH-UHFFFAOYSA-N 314.389 1.821 10 10 DDCE CCc1nc(C2CCN(C(=O)c3cccc(O)c3O)CC2)n[nH]1 191499921 IGKSGTAVTBUAFI-UHFFFAOYSA-N 316.361 1.798 10 10 DDCE COCCN(CCOC)C(=O)[C@@H](C)Sc1nccs1 194357065 VQKGHVVLJSKEJQ-SNVBAGLBSA-N 304.437 1.745 10 10 DDCE CNC[C@H]1CN(c2c(Cl)cc(OC)cc2OC)CCO1 2368284327 BMPFDLMWCPZQED-NSHDSACASA-N 300.786 1.782 10 10 DDCE CNCc1ccc(N2CCC[C@@H]2C(N)=O)cc1Br 234440538 XOJHMHUGYRZZOY-GFCCVEGCSA-N 312.211 1.623 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@](O)(C4CC4)C3)cc2N1 377467195 CTQIOSHCDKPVQH-HNNXBMFYSA-N 319.317 1.277 10 10 DDCE COC(=O)[C@](C)(O)CN(Cc1ccc(N(C)C)cc1)C1CC1 808711263 ZKTVYNDASGVMTE-QGZVFWFLSA-N 306.406 1.641 10 10 DDCE CN1CCCc2cc(CNC(=O)NCc3cnn(C)n3)ccc21 805998803 RYYKTKZXMASEEK-UHFFFAOYSA-N 314.393 1.197 10 10 DDCE O=C(CNCc1cc(Cl)c(F)cc1O)NCC(F)(F)F 293809838 CMLWYFGLGAIIEM-UHFFFAOYSA-N 314.666 1.953 10 10 DDCE CCN1CC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1=O 801799510 DWRNSIYKDAWJAY-AWEZNQCLSA-N 304.394 1.173 10 10 DDCE COCC[C@@H](COC)NCc1ccc(N2CCN(C)CC2)cc1 810174009 NHGUFGOXDJLBBE-KRWDZBQOSA-N 321.465 1.580 10 10 DDCE O=C(NCc1ccnc(-n2ccnc2)c1)NCc1ccccc1O 726251246 VHHCPBAJQKJASE-UHFFFAOYSA-N 323.356 1.972 10 10 DDCE Cc1cccc(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)c1O 825148014 OVGVPPQROMLEIR-INIZCTEOSA-N 317.433 1.487 10 10 DDCE C[C@H]1C(=O)N(C)CN1C(=O)NCc1ccc2c(c1)CCCN2C 826020878 XYISSXXXISUOHF-LBPRGKRZSA-N 316.405 1.399 10 10 DDCE CN1CCCc2cc(CNC(=O)/C=C/Cn3cncn3)ccc21 900432621 GMUXHCUHSYKPGU-HWKANZROSA-N 311.389 1.533 10 10 DDCE CN(C1CC1)S(=O)(=O)NCCCSc1nccs1 736337233 GQRQKUZAQQKALO-UHFFFAOYSA-N 307.466 1.554 10 10 DDCE COCCN1CN(C/C=C\c2ccc(N(C)C)cc2)CC1=O 835050086 OSXMQKUXXHTMRK-PLNGDYQASA-N 303.406 1.514 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@](O)(CO)C1 838478961 NZWAHADZLOSEAR-QGZVFWFLSA-N 321.421 1.090 10 10 DDCE CC(C)(CNC(=O)c1cc(O)cs1)N1CCS(=O)CC1 740927546 HOJFTYWGKQABFL-UHFFFAOYSA-N 316.448 1.026 10 10 DDCE C[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)NC(N)=O 848080207 XBNUUWYDZBRQIS-LURJTMIESA-N 320.176 1.762 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3CO)C2)cc1 854300080 PAOLZJJZXPBBAN-DZGCQCFKSA-N 319.405 1.440 10 10 DDCE NC1(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 852916488 KJCQGWXCVUOYHR-UHFFFAOYSA-N 303.406 1.145 10 10 DDCE Cc1ccc([C@@H](C)NCC[C@@H]2CNCCS2(=O)=O)c(O)c1 925801897 YPJOFSOYORDQFG-CHWSQXEVSA-N 312.435 1.128 10 10 DDCE Cc1ccc(C(=O)NCC(=O)NCc2ccco2)c(O)c1O 751534473 IGXUVPLQIKMMDO-UHFFFAOYSA-N 304.302 1.045 10 10 DDCE C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C)[C@@H]1O 852503907 VDOSNPUOQXMOBS-UOIKSKOESA-N 319.449 1.318 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C(=O)OC(C)(C)C)C2)cc1 853818048 RMZRBMIDNIYNTN-LBPRGKRZSA-N 320.389 1.732 10 10 DDCE Cc1ccc([C@@H](C)NC[C@@]2(OCCO)CCOC2)c(O)c1C 850510824 YDFIUFUHWBFQGZ-PBHICJAKSA-N 309.406 1.828 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[C@H](C)NC2)c1 861685053 CCAMCPNPGQRYLS-SRVKXCTJSA-N 307.394 1.902 10 10 DDCE CN1CCN(c2ccc(CN3CC[C@@]4(O)C[C@H]4C3)cc2F)CC1 1118664510 XCXFOYIHACYOQZ-MAUKXSAKSA-N 319.424 1.534 10 10 DDCE CN(C)CCn1cc(NC(=O)N2Cc3cccc(O)c3C2)cn1 1119850258 QNNGZEHLEMTDAN-UHFFFAOYSA-N 315.377 1.698 10 10 DDCE C[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(O)c(O)c1 778923325 MTVLVMSGVYBVLO-NSHDSACASA-N 314.341 1.533 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)[C@@H]2COCCO2)cc1C 1317227977 UXNFSQLKTSCILI-BBRMVZONSA-N 322.405 1.013 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2CC23CC3)cc1C 1320280911 LQGDKQXNSTZEMA-HUUCEWRRSA-N 318.417 1.370 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)NC2C[C@H]3C[C@@H]3C2)cc1 1345681988 ATKABJVQMHNUCM-CHWSQXEVSA-N 301.390 1.284 10 10 DDCE Cc1ccc(/C=C\C(=O)N2CCCc3ccc(C(N)=O)nc32)cn1 1437445056 NQQLKCUFERSBOQ-TWGQIWQCSA-N 322.368 1.877 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)[C@H]2CCCS(=O)(=O)C2)C1 1912187163 IGKNKHXMONPBGV-MNOVXSKESA-N 300.384 1.360 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@](C)(CC(=O)O)C(=O)O)cc1 1350669101 XUKJOMCMGXFFDN-BDUNBXCCSA-N 320.389 1.921 10 10 DDCE CN(C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccnn1C 1440303302 UNQFYBFJGOCBBN-LBPRGKRZSA-N 320.393 1.996 10 10 DDCE C[C@@H](C[S@](C)=O)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1295580713 PORMYCJFXJMDCB-FPVGNUTFSA-N 310.379 1.688 10 10 DDCE COCCNC[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1495813033 JYUINXNMNQQCJG-NSHDSACASA-N 321.381 1.451 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)c1ccc(F)cc1 1634321135 DBMNBCPHFOSHSX-HNNXBMFYSA-N 305.305 1.629 10 10 DDCE COc1cc(C(=O)N[C@H](C)CNC(=O)C=C(C)C)cc(OC)n1 1737547982 GODQEFFLCPNVLL-LLVKDONJSA-N 321.377 1.300 10 10 DDCE NC(=O)c1ccccc1CCC(=O)NCc1cc(O)ccc1O 1651225730 WMUTZQXBLDKMFH-UHFFFAOYSA-N 314.341 1.446 10 10 DDCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)CNC(C)=O 1699168019 USMPNJGTZLBBLR-UHFFFAOYSA-N 321.421 1.078 10 10 DDCE COc1ccc(CNCCCN(C)C(=O)CNC(C)=O)cc1C 1699494397 XWXHHFQHGSAMGN-UHFFFAOYSA-N 321.421 1.078 10 10 DDCE CN1NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1=O 169996338 LHMIAFGZTDVIBY-ZETCQYMHSA-N 316.144 1.441 10 10 DDCE CN(Cc1ccccc1O)C(=O)Nc1cnc(N(C)C)nc1 154462401 OLTUWRVAWHPPJA-UHFFFAOYSA-N 301.350 1.912 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1c(O)cc(O)cc1O 1951370573 YBRKAVFLBHWIIF-QMMMGPOBSA-N 313.306 1.844 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)CN 1951358446 ZBPMHDNTQBXWFD-SNVBAGLBSA-N 310.350 1.061 10 10 DDCE N[C@H]1C[C@H](O)CN(Cc2c(O)cccc2Br)C1 2002696367 NYELSSCLPIWUKM-IUCAKERBSA-N 301.184 1.049 10 10 DDCE Nc1ccc(OCCC(=O)N2CCCC[C@@H]2C2OCCO2)cc1 2145802609 HLABJVLBTBXLPU-OAHLLOKOSA-N 320.389 1.792 10 10 DDCE CNCc1ccc(OCCS(=O)(=O)CCOC)c(C)c1 2155015071 PPSGKQPLQQQFBW-UHFFFAOYSA-N 301.408 1.154 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1n[nH]cc1Br 2027476503 BBPRXEZZQYADKZ-UHFFFAOYSA-N 312.123 1.765 10 10 DDCE Cn1cc(Br)c(=NC(=O)c2ccc(O)c(O)c2)[nH]1 2038260854 STQIKVYJDHYNSZ-UHFFFAOYSA-N 312.123 1.268 10 10 DDCE COC(=O)CCNC(=O)C=Cc1ccc2c(c1)CCCN2C 2041531321 OOOUYKVCHXAXCX-UHFFFAOYSA-N 302.374 1.762 10 10 DDCE NCc1ccc(N2CCC[S@](=O)CC2)cc1Br 321882093 QLHKGENEXGNYJY-KRWDZBQOSA-N 317.252 1.867 10 10 DDCE COC[C@@H]1CN(c2ccc(CO)cc2Br)CCO1 705830282 VRUGQEIMRRURJG-NSHDSACASA-N 316.195 1.793 10 10 DDCE CN(CC(C)(C)S(C)(=O)=O)c1c(F)cc(CN)cc1F 713916386 IHHUFQIVELUUEC-UHFFFAOYSA-N 306.378 1.683 10 10 DDCE Oc1ccc(CNCc2cc(Br)no2)c(O)c1O 718888168 VDKSDMWWIUKIIH-UHFFFAOYSA-N 315.123 1.844 10 10 DDCE C[C@@H]1CN(c2ccc([C@@H](C)N)cc2Br)CC(=O)N1 387271283 MCUQPTVUHFIMNY-RKDXNWHRSA-N 312.211 1.794 10 10 DDCE Cn1c(C2=C[C@@H](O)[C@@H](N)C2)nc2c(Br)cccc21 2067758039 TZVVYYXLTCMFAY-GXSJLCMTSA-N 308.179 1.811 10 10 DDCE OCc1ccc(N2CCO[C@@H]3COC[C@H]32)c(Br)c1 2072505596 DLCIMWBWKUJSRV-CHWSQXEVSA-N 314.179 1.545 10 10 DDCE CNC(=O)CN(Cc1ccccc1)c1ccc(OC)cc1CN 2211285183 NRSCFIRLFWEASM-UHFFFAOYSA-N 313.401 1.907 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H](C)[C@@H](C(=O)O)C2)s1 2284500932 SCTVJAPNRLGAFZ-APPZFPTMSA-N 315.420 1.727 10 10 DDCE NC(=O)c1ccc(N=NN2CCN(c3ncccn3)CC2)cc1 2330153196 OCZNAEQMIQORSD-UHFFFAOYSA-N 311.349 1.396 10 10 DDCE COc1ccc(O)c(CN2Cc3ccccc3C[C@@H]2C(N)=O)c1 179602247 CMRJMQHQQNZXFW-MRXNPFEDSA-N 312.369 1.813 10 10 DDCE COC(=O)COc1ccc(N(C)C[C@@H](O)C(F)(F)F)cc1 183998861 GWBSCJBWWBUQSL-LLVKDONJSA-N 307.268 1.598 10 10 DDCE C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2O)CCS1(=O)=O 191746292 DTNRTPZBTGJPFR-JTQLQIEISA-N 314.363 1.309 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)CCC(N)=O)c([N+](=O)[O-])c1 286587565 ROCUAXAIAMTAPA-GQCTYLIASA-N 307.306 1.093 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 808543389 GVNUHNNTVHRUNN-UHFFFAOYSA-N 317.257 1.095 10 10 DDCE CN(C)c1ccc(CN2CCC[C@H]2c2nc(N)n(C)n2)cc1 295153631 GIVPBPWAQHAIPL-AWEZNQCLSA-N 300.410 1.800 10 10 DDCE CC[C@H](C)CS(=O)(=O)C[C@H](O)COc1ccc(N)cc1 722438440 FTFCGBMPDLFIBF-WCQYABFASA-N 301.408 1.469 10 10 DDCE CN(C)c1ccc(CNC(=O)NCCc2cn(C)cn2)cc1 837380663 SWMUTYKEKKORSR-UHFFFAOYSA-N 301.394 1.528 10 10 DDCE C[C@@H](CN)CNC(=O)NCc1cc(Br)ccc1O 841963946 XVLPRUGPPQVQJJ-QMMMGPOBSA-N 316.199 1.549 10 10 DDCE CN(Cc1cc(O)n2ncc(C(=O)O)c2n1)C[C@@H]1CCCCO1 846238227 BESCKEGIGMUBMH-NSHDSACASA-N 320.349 1.134 10 10 DDCE CN(C)c1ccc(CNC(=O)CN[C@H]2C[C@H](O)C23CCC3)cc1 852584399 MOIHAXGYLPSQDQ-HOTGVXAUSA-N 317.433 1.262 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@H](O)c2cnc[nH]2)cc1 864926067 AEHBCMLBVOBNLN-OAHLLOKOSA-N 302.378 1.606 10 10 DDCE CCN(CC)c1ccc(CN2CCn3c(O)nnc3C2)cc1 776520628 DGUVNBCUVGAWFF-UHFFFAOYSA-N 301.394 1.846 10 10 DDCE CN(C)C(=O)OCCNC(=O)c1cc2cc(O)c(O)cc2s1 898719804 GITLSFVZNCPIBS-UHFFFAOYSA-N 324.358 1.741 10 10 DDCE Cc1cc(O)c(CN2CCn3nnc(CO)c3C2)c(Cl)c1 894810886 TXBSNCOKSIKBBN-UHFFFAOYSA-N 308.769 1.454 10 10 DDCE Cn1ncnc1C1(O)CN(Cc2cc(Cl)cc(F)c2O)C1 895618599 MDAWQERNODPLNY-UHFFFAOYSA-N 312.732 1.017 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1cc2n(n1)CCC[C@H]2O 1149872120 PBUFTYXPSDKRAE-OAHLLOKOSA-N 301.346 1.688 10 10 DDCE COCC(COC)S(=O)(=O)N[C@H](C)c1ccccc1O 882502699 NOBUUQTVPAJTDE-SNVBAGLBSA-N 303.380 1.034 10 10 DDCE CC(=O)Nc1cccnc1C(=O)NCc1c(O)cccc1F 1303875197 CTWISHULOYKURW-UHFFFAOYSA-N 303.293 1.815 10 10 DDCE COCCCCN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329866157 PKFYTIGHVFLTSF-UHFFFAOYSA-N 306.362 1.119 10 10 DDCE O=S(=O)(CCC(F)(F)CO)Nc1ccc(O)cc1Cl 2122187796 XHWHVAVTPABGOR-UHFFFAOYSA-N 315.725 1.805 10 10 DDCE NC(=O)[C@@H]1OCC[C@@H]1Nc1c(N)cccc1Br 1907222790 NLALXGHWWXJAFJ-WCBMZHEXSA-N 300.156 1.086 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)c1cc(=NC(=O)OC(C)(C)C)[nH][nH]1 1900612233 FTTPZCSRRWBFBW-UHFFFAOYSA-N 323.357 1.951 10 10 DDCE Cn1ncc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)c1Br 1912179795 UQDCPJKJVZZYAJ-SSDOTTSWSA-N 313.159 1.955 10 10 DDCE CCC[C@H](C)N1C[C@H](C(=O)NCc2cccc(O)c2O)CC1=O 1528770595 AUHILRDVSVWRNA-WCQYABFASA-N 320.389 1.751 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)CC2CCC2)cc1C 1717763482 ZCUMHYLPFFWXAU-MRXNPFEDSA-N 320.433 1.761 10 10 DDCE CO[C@@H]1COCC[C@H]1N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1636779799 SMLCWFJQLZUCJO-CHWSQXEVSA-N 320.349 1.725 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)c1ncnc2c1nnn2C 1650087197 NNVCQKVXZMIZIY-UHFFFAOYSA-N 323.404 1.995 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2ncc[nH]2)cc1C 1669284299 DXBRXSDGDHGBBW-GFCCVEGCSA-N 302.378 1.635 10 10 DDCE CCN(C)C(=O)Cn1c(C)nnc1N(C)Cc1ccccc1O 1764679104 RGOJEQVCYZGCGI-UHFFFAOYSA-N 317.393 1.407 10 10 DDCE CC(=O)N[C@@H](C)CN=NNc1ccc(N2CCN(C)CC2)cc1 1860492797 KTFXIXDOJBLIJF-ZDUSSCGKSA-N 318.425 1.742 10 10 DDCE OC[C@H]1COC[C@@H]1NCc1cccc(Br)c1O 1942672236 BNMXQSROHJKZHR-ONGXEEELSA-N 302.168 1.252 10 10 DDCE COC[C@H](CC(=O)NCCN=[N+]=[N-])NC(=O)OC(C)(C)C 1885556529 BJDVJNKMCFVQNZ-VIFPVBQESA-N 301.347 1.343 10 10 DDCE CC(=O)NCCN(C)c1cc(Br)c(CN)cc1F 308210406 KQWZRXNKHXBSMP-UHFFFAOYSA-N 318.190 1.619 10 10 DDCE C[C@H]1N(Cc2ccccc2)CC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 309920088 VNWOKDWQJLDLQX-CJNGLKHVSA-N 316.409 1.795 10 10 DDCE C[C@@H]1C[S@](=O)CCN1c1cc2c(cc1Cl)[C@H](O)C(=O)N2 2171966097 UEENOBLKCKDRKD-NZWKDGHHSA-N 314.794 1.283 10 10 DDCE Cn1c(O)nnc1CNCc1cc(Cl)cc(Cl)c1O 692266533 UXWVENPMHNZIPW-UHFFFAOYSA-N 303.149 1.823 10 10 DDCE O=C(O)[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)N1 2060424935 RXNYAYPNDBGWEZ-CABCVRRESA-N 317.389 1.108 10 10 DDCE CCCS(=O)(=O)C[C@@](C)(NCCN=[N+]=[N-])C(=O)OCC 2170543695 HDHYPTJRYITCQP-LLVKDONJSA-N 306.388 1.033 10 10 DDCE [N-]=[N+]=N[C@H]1CCCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 2197931315 NCZWDSUXMWDVFA-UWVGGRQHSA-N 301.372 1.048 10 10 DDCE Oc1c(Br)cccc1CNC[C@@H]1Cc2nncn2C1 2111433968 NQQGEYAVZHOLGN-VIFPVBQESA-N 323.194 1.708 10 10 DDCE CCN1CC(NCc2c(Br)ccc(OC)c2O)C1 2220447593 GAUONLMSLVKJEG-UHFFFAOYSA-N 315.211 1.957 10 10 DDCE COc1ccc([C@@H](C)NCCS(=O)(=O)C(F)F)c(O)c1 2232499341 XHNXGJSSZQQFLP-MRVPVSSYSA-N 309.334 1.689 10 10 DDCE COCCN(C[C@H](C)O)c1ccc(CN)cc1Br 2259718490 HMMXNYCSCLNAMH-JTQLQIEISA-N 317.227 1.741 10 10 DDCE COC(=O)C(C)(C)CS(=O)(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2290075187 XPZGOBUDNFAAAZ-RKDXNWHRSA-N 304.372 1.336 10 10 DDCE O=Cc1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1 2293067464 DRCKRODNWJYUCB-UHFFFAOYSA-N 307.352 1.785 10 10 DDCE CNC(=O)CN(C)Cc1ccc(C)c(Br)c1O 2307566569 XTKLGRRUGPKGAS-UHFFFAOYSA-N 301.184 1.641 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CNC[C@H](C)C2)s1 2346568469 NIALRMORTZFAGG-PRHODGIISA-N 301.437 1.407 10 10 DDCE CC(C)CCS(=O)(=O)N1CCN(c2ccc(N)cc2)CC1 111657114 ADCOCIXCKQZBJW-UHFFFAOYSA-N 311.451 1.767 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C1CNC1 1952204313 JLCUXQHFRGWNLZ-GFCCVEGCSA-N 308.378 1.753 10 10 DDCE Cn1c(SCCCC(=O)Nc2ccc(N)cc2)n[nH]c1=O 61592431 CIYPQFMOGAURDN-UHFFFAOYSA-N 307.379 1.202 10 10 DDCE O=C(c1ccco1)N1CCN(c2ccc3c(c2)OCO3)CC1 71711624 IUNVTIBSEJYWEH-UHFFFAOYSA-N 300.314 1.971 10 10 DDCE O=C(NCCN1C(=O)CSC1=S)c1cccc(Cl)c1 49755860 FKWYXITYWXEBAN-UHFFFAOYSA-N 314.819 1.930 10 10 DDCE COc1cc(Cl)c(N(C)CCN(C)CCO)c(OC)c1 2368117871 OARYJBCYIDXCBO-UHFFFAOYSA-N 302.802 1.718 10 10 DDCE C[C@@H]1CCC[C@](O)(CNS(=O)(=O)Cc2ccc(N)cc2)C1 87045419 GNMRFVIECIRAMG-IUODEOHRSA-N 312.435 1.629 10 10 DDCE COc1ccc(N2CCSC[C@@H]2CC(=O)O)c([N+](=O)[O-])c1 91130412 AFAPNWARFMKWFP-VIFPVBQESA-N 312.347 2.000 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1cn(C)nn1 611658128 QQNAZHORDNDNQI-UHFFFAOYSA-N 315.377 1.239 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 808523950 XPBLFQZLSUNBLB-CQSZACIVSA-N 317.313 1.037 10 10 DDCE CNC(=O)CCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 823834937 QUWJYGFRWKUQOS-UHFFFAOYSA-N 313.401 1.889 10 10 DDCE CC[S@@](=O)CCNC(=O)NCc1ccc2c(c1)CCCN2C 735111361 QQRHBEIXKZAOGW-JOCHJYFZSA-N 323.462 1.637 10 10 DDCE CN(C(=O)c1cc(O)cs1)C1CCN(c2cnccn2)CC1 834716828 XFRKMVBACGLAEJ-UHFFFAOYSA-N 318.402 1.985 10 10 DDCE COC1(C(=O)NCc2cc(Br)ccc2O)CC1 843887408 UBKSTXFFNBQISX-UHFFFAOYSA-N 300.152 1.950 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)OC[C@@H]1CN(C2CC2)C(=O)O1 845135205 AQDIJPWYECSBIQ-DWMUBGRBSA-N 319.313 1.637 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CNCC[C@@H]1C 841824749 SNJJOXPYDUSWOC-LRDDRELGSA-N 304.438 1.858 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCC[C@@]2(O)CCOC2)c1 846192794 JQAXWRKUJVBVPE-MEDUHNTESA-N 309.362 1.371 10 10 DDCE COc1ccc(N2CCCN([C@H]3CCN(OC)C3=O)CC2)cc1 929316416 PVATVQDKXHVTCY-INIZCTEOSA-N 319.405 1.370 10 10 DDCE C[C@@H](NC(=O)NC[C@@H]1CN(C2CC2)C(=O)O1)c1ccccc1O 868755482 HPTFLOXOXHWZTG-ZYHUDNBSSA-N 319.361 1.736 10 10 DDCE COc1ccc(CNC(=O)c2c[nH]nc2[C@@H]2CCCO2)c(O)c1 867955561 CPGMWEMRPDNVNJ-AWEZNQCLSA-N 317.345 1.905 10 10 DDCE Cc1cccc(CNC(=O)C(=O)N(C)Cc2ccccc2O)n1 1117028265 KLFGTRSFBBAUGA-UHFFFAOYSA-N 313.357 1.370 10 10 DDCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)NCc5cccc(O)c5O)[C@H]1[C@H]3[C@@H]42 1123977942 MVTZBTPAUPEGEW-OLBNOBFYSA-N 311.337 1.041 10 10 DDCE COc1cc(C)cc(CNC[C@H]2CN(C3CC3)C(=O)O2)c1O 895193063 PXMDESMCXLIUSQ-ZDUSSCGKSA-N 306.362 1.782 10 10 DDCE C[C@H]1OCC[C@@]1(O)CNC(=O)c1cc2cc(O)c(O)cc2s1 897606200 NZFUTDCZCZVRRU-ANRSDYALSA-N 323.370 1.582 10 10 DDCE COc1cccc(C(=O)CCCC(=O)OCC(=O)C(C)=O)c1 795999267 YUTVTOVDUISQSK-UHFFFAOYSA-N 306.314 1.750 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccnc(-c2ccccn2)n1 1303194824 KXSPHLNSPDJJQK-UHFFFAOYSA-N 322.324 1.880 10 10 DDCE C[C@H]1[C@H](CO)CCN1CC(=O)NCc1ccc(N(C)C)cc1 1193898144 JKVGABNEWBMDHE-ZFWWWQNUSA-N 305.422 1.072 10 10 DDCE CS(=O)(=O)N1CCC(N2CCC(CN=[N+]=[N-])CC2)CC1 1912154440 BXUAMJDRXCOIRE-UHFFFAOYSA-N 301.416 1.433 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1ccc2nc(O)[nH]c2n1 1294909549 QWXVSLGIEHJMKY-UHFFFAOYSA-N 314.301 1.047 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](N2CCCCC2)C1 1465210316 UOGIUWNCEPIINW-AWEZNQCLSA-N 304.390 1.727 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(O)(C(F)F)CC1 1617283232 QEXHZLDRTWKRRG-UHFFFAOYSA-N 301.289 1.259 10 10 DDCE Cn1nc(CNC(=O)c2cccc(O)c2O)cc1C(F)(F)F 1558739991 XJDHJTJSPDMSRK-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE COC(=O)[C@H](NC(=O)c1cc(O)cs1)c1ccc(O)cc1 1556121238 JIYSQZRGRMIPDN-GFCCVEGCSA-N 307.327 1.803 10 10 DDCE C[C@@H]1CN(c2ccc(CN)cc2Br)C[C@@H](CO)O1 229945804 CEQNEEUZBVZYOH-KOLCDFICSA-N 315.211 1.494 10 10 DDCE O=C(N[C@H](c1ccccc1)c1nc[nH]n1)c1cccc(O)c1O 1633289890 XOPAIQBWINUZQB-CYBMUJFWSA-N 310.313 1.735 10 10 DDCE COC(=O)Cc1occc1C(=O)NCc1ccc(O)c(O)c1 1566359227 WONMHORBZKILLR-UHFFFAOYSA-N 305.286 1.336 10 10 DDCE O=C(Cc1nc[nH]n1)N(Cc1ccco1)Cc1ccccc1O 1566302592 BUWQNTQGUCJCJC-UHFFFAOYSA-N 312.329 1.875 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)[C@@H]2CCOC2)cc1C 1567001997 KYHBDSMBJDWZEP-DZGCQCFKSA-N 306.406 1.634 10 10 DDCE CCCOc1ccc(N2CCN(C[C@@H]3CN=C(N)O3)CC2)cc1 33893484 RYACAMPFAMXCNV-INIZCTEOSA-N 318.421 1.311 10 10 DDCE C[C@@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1O 1642824110 HDGSNJHBAILWFJ-LLVKDONJSA-N 309.329 1.859 10 10 DDCE CC(=O)N[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C 1759517352 DJTHCBGWQNTOOX-CYBMUJFWSA-N 319.365 1.740 10 10 DDCE Cc1c(C(=O)NCc2cc(O)ccc2O)cnn1-c1ccncc1 1593873225 MAERGDYGNOXZSI-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE C[C@H]1C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)N1C(=O)OC(C)(C)C 1961043499 VBBMBOSZORAWEF-FIQHERPVSA-N 310.394 1.650 10 10 DDCE CNCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865979943 MYTBTGUENDDOBA-QGZVFWFLSA-N 318.465 1.615 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](F)C2)cc1Br 1944301829 QYIHKQYZOUXUJQ-HFKOZYHYSA-N 303.175 1.988 10 10 DDCE CCOCCOCCOC(=O)CNCc1cc(C)ccc1O 1857873319 WIGGOLCTHYAFLX-UHFFFAOYSA-N 311.378 1.387 10 10 DDCE CN(c1ccc(CO)c(Br)c1)C1CS(=O)(=O)C1 1946846299 QOHPRQBIVXXBEL-UHFFFAOYSA-N 320.208 1.175 10 10 DDCE NC(=O)CN(Cc1ccccc1)c1cc2c(cc1N)NC(=O)CC2 1946837980 RWWOSMRSWPBRHK-UHFFFAOYSA-N 324.384 1.645 10 10 DDCE COC(=O)[C@@](N)(CSc1nccs1)C1CCOCC1 2143036029 UQWVUKCMCRAKRN-GFCCVEGCSA-N 302.421 1.532 10 10 DDCE O=C1C[C@H](CNCc2cc(Br)ccc2O)CCN1 1969106395 HTPNCJJTAXCNNX-SECBINFHSA-N 313.195 1.771 10 10 DDCE CNC(=O)OCCCNCc1c(O)cccc1Br 1973898264 UOICPLDGILEMTI-UHFFFAOYSA-N 317.183 1.990 10 10 DDCE CNCc1ccc(N2C[C@H](O)C(F)(F)C2)cc1Br 2034600247 QJURMSLXXVNHKZ-NSHDSACASA-N 321.165 1.985 10 10 DDCE CN1CCN(c2ccc(CN)cc2Br)C[C@H]1CO 687609490 AWVJDEAMGJSQAQ-NSHDSACASA-N 314.227 1.021 10 10 DDCE CC[C@H](NCc1cc(Br)cc(F)c1O)C(N)=O 715804033 LKNNBFWQBLADLT-VIFPVBQESA-N 305.147 1.647 10 10 DDCE Cc1ccc2c(c1)OCCN2C(=O)c1c[nH]nc1[C@@H]1CCNC1 2062790580 SSOWYDMAOPJISG-GFCCVEGCSA-N 312.373 1.834 10 10 DDCE COc1cc(Cl)cc(CN(C)[C@H]2COC[C@H]2OC)c1O 2177283637 OEMHUOZKYCNNGV-WCQYABFASA-N 301.770 1.900 10 10 DDCE CN(CCN(C)S(C)(=O)=O)c1cc(Cl)c(CN)cc1F 2177383308 LCLRQIQQMCZGHF-UHFFFAOYSA-N 323.821 1.265 10 10 DDCE CSc1ncc(CN[C@@H]2CN(CC(C)C)C[C@H]2O)s1 2269095113 LGOJYDXKOHFYGP-VXGBXAGGSA-N 301.481 1.656 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@@H]2CCCC[C@@H]2N)s1 2269097222 BMVXJEGEYGPKBU-VHSXEESVSA-N 321.493 1.554 10 10 DDCE CSc1ncc(CN=c2[nH]c(=N)[nH]c3c2C[C@@H](C)C3)s1 2284725504 JLXNOCWKPLLACL-SSDOTTSWSA-N 307.448 1.836 10 10 DDCE O=C1NN(c2ccc(F)cc2)C(=O)C1=Cc1ccc([N+](=O)[O-])o1 2297620308 HALPOMGHOVRFIX-UHFFFAOYSA-N 317.232 1.788 10 10 DDCE CC1=NN(c2ccccc2)C(=O)C1=C(C)NN1CCN(C)CC1 2313681930 QUADOTUFXCAKRG-UHFFFAOYSA-N 313.405 1.435 10 10 DDCE OCC[C@H](O)CCNCc1cc(Br)ccc1O 2306864281 BJHKUNMOVARBFE-LLVKDONJSA-N 304.184 1.378 10 10 DDCE O=C([C@H]1CCCN(Cc2cc(F)ccc2O)C1)N1CCOCC1 179903179 ATTMOQJDOWYOAI-ZDUSSCGKSA-N 322.380 1.602 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCN(C(C)=O)C2)c1 175263399 ACNAKVJQWODRPQ-JQWIXIFHSA-N 306.362 1.446 10 10 DDCE CCOc1ccc(O)c(CN2CCN(C[C@H](O)CC)CC2)c1 123594904 RKYTVEGZWNHKMZ-OAHLLOKOSA-N 308.422 1.679 10 10 DDCE COc1ccc(N2CCN(C(=O)c3c(C)n[nH]c3C)CC2)cc1 74716067 HAESSCYDMMGUSU-UHFFFAOYSA-N 314.389 1.998 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@H]1c1cc(O)nc(O)c1 1952994150 XDAJAKMTWXYTNX-CABZTGNLSA-N 324.333 1.876 10 10 DDCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)Cc1cccs1 35366555 ZQKWZIMTCXJCGN-UHFFFAOYSA-N 303.387 1.387 10 10 DDCE COC(=O)[C@H]1[C@@H](O)CCCN1Cc1cc(Cl)cc(C)c1O 188791118 GVRSLNKGVVTWCH-QWHCGFSZSA-N 313.781 1.852 10 10 DDCE C[C@H]1CCC[C@@H](CS(=O)(=O)NCC2(CN=[N+]=[N-])CC2)O1 2364244516 LPQXUGYQOIICME-QWRGUYRKSA-N 302.400 1.954 10 10 DDCE CO[C@@H]1CN(c2ccc(CN)c(Cl)c2)[C@H](CF)[C@H]1OC 2366433798 BMLMSKNLJNMOGO-MGPQQGTHSA-N 302.777 1.987 10 10 DDCE C[C@H](NC=C1C(=O)NC(=S)NC1=O)c1cccc(Cl)c1 48392278 ZQFAYMDOKHJBEJ-ZETCQYMHSA-N 309.778 1.405 10 10 DDCE O=C(c1cccc(O)c1O)N1CCC(Oc2cnccn2)CC1 370089882 CTWZSHNUZRMYSG-UHFFFAOYSA-N 315.329 1.571 10 10 DDCE CCN1CC[C@H]2OCCN(C(=O)c3ccc(C)c(O)c3O)[C@H]2C1 293896040 MHCYGHSVEDXNSV-UONOGXRCSA-N 320.389 1.341 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H](N)C3CCC3)CC2)cc1 398987344 IDBBDQYJWMUDJC-MRXNPFEDSA-N 303.406 1.471 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C(=O)NC3CCC3)C2)cc1 827099257 RCXLNCDFDXSZCH-ZDUSSCGKSA-N 317.389 1.059 10 10 DDCE O=C(NC1CC1)[C@@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1 588403555 PDYGPIABIIQYFY-UKOWJOKBSA-N 316.357 1.381 10 10 DDCE C[C@H](NC(=O)c1cnc2n1CCOC2)c1ccc(N(C)C)cc1 832431221 LOLDUIMJXXAKPK-LBPRGKRZSA-N 314.389 1.970 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 588554575 SXMXFOJUJPRTPC-RBZUQTFTSA-N 320.345 1.988 10 10 DDCE CC(C)COC1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 841018822 VQOQMGVVRPHXHZ-UHFFFAOYSA-N 319.405 1.871 10 10 DDCE CCOc1ccc(O)c(CN[C@H]2CCc3c(nnn3C)C2)c1 848566652 DCNLSBLDWAWVTM-LBPRGKRZSA-N 302.378 1.567 10 10 DDCE C[C@H](Cn1cncn1)NC(=O)NCc1cc(Cl)ccc1O 844940162 PPKIKHBYUOZFRV-SECBINFHSA-N 309.757 1.525 10 10 DDCE COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](C(C)C)C3=O)C2)cc1 849356394 DXKGITKRDOHHKU-ZFWWWQNUSA-N 317.389 1.850 10 10 DDCE COc1cc(N2CC[C@H](O)C(F)(F)C2)c([N+](=O)[O-])cc1OC 853803220 KBBMRUVUHPJSLC-LBPRGKRZSA-N 318.276 1.818 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H](C)n3ncnc32)c1 853736599 HTOZLBWQICTWDT-BXKDBHETSA-N 317.349 1.498 10 10 DDCE CCNC(=O)N1CC[C@H](NC(=O)NCc2c(O)cccc2F)C1 921462557 UNRJJKRBLHYBAA-JTQLQIEISA-N 324.356 1.134 10 10 DDCE CN(C(=O)c1ccoc1CC(N)=O)c1cccc2c1CCCN2 1358184386 AYAQVWCMPSOTFQ-UHFFFAOYSA-N 313.357 1.942 10 10 DDCE CCn1nc(C)cc1NC(=O)C(=O)NCc1cc(C)ccc1O 862024826 HWBWEHUETGKAMH-UHFFFAOYSA-N 316.361 1.480 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(C(C)C)c1Br 870078733 IQIDEJCTKDZQNX-UHFFFAOYSA-N 317.139 1.541 10 10 DDCE COc1cc(O)c(CN2CCCC[C@@H]2CC(N)=O)cc1OC 775663525 DMNSZGPOQNTGRH-GFCCVEGCSA-N 308.378 1.639 10 10 DDCE O=C1C[C@H](C(=O)N2Cc3cccc(O)c3C2)[C@@H]2CCCC[C@@H]2N1 871204050 BHAUCFJOZBDZNL-YDHLFZDLSA-N 314.385 1.929 10 10 DDCE CO[C@@H]1CCOC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 889185530 RBMFUZZKIIMBRQ-BXKDBHETSA-N 323.370 1.846 10 10 DDCE CN(Cc1cscn1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1332005078 ZBDJCLLOEQXGRO-UHFFFAOYSA-N 317.370 1.350 10 10 DDCE CC1(F)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1332088258 KRSFBCYRXXIBSL-UHFFFAOYSA-N 306.337 1.585 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@H]2CCNC2=O)c(Br)c1 1916797922 DCQLFPKSNSRHKR-UFBFGSQYSA-N 313.195 1.827 10 10 DDCE COc1ccc(C(=O)NCc2cccc(O)c2O)cc1[N+](=O)[O-] 1455317316 KJHNAQBQQAFAFQ-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE COc1ccnc(CNC(=O)c2c(F)ccc(O)c2O)c1F 1457937437 YFHQLAHEIURPPB-UHFFFAOYSA-N 310.256 1.710 10 10 DDCE CC(=O)Nc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 1544213705 GLRMXQGEWNWYDY-UHFFFAOYSA-N 314.341 1.915 10 10 DDCE Cc1nn(C)c(C)c1CCC(=O)NCc1cc(O)ccc1O 1558174397 MEAYYVCZYHCKGI-UHFFFAOYSA-N 303.362 1.697 10 10 DDCE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](O)C(F)(F)F 1556948407 MDLUHOFINQNDMV-IMTBSYHQSA-N 318.255 1.891 10 10 DDCE C[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cc(O)ccc1O 1651225367 GZGBPOOTCGTDSZ-SNVBAGLBSA-N 324.377 1.875 10 10 DDCE C[C@H](c1nc(-c2nc[nH]n2)no1)N(C)Cc1ccccc1O 1653611826 NLTPSLXIYVXLHD-SECBINFHSA-N 300.322 1.753 10 10 DDCE Cc1cc(OCCCS(C)(=O)=O)ccc1N1CCNCC1 161688689 KCPPMRNJEHGBBG-UHFFFAOYSA-N 312.435 1.218 10 10 DDCE COc1ccc(N2CCC(N[C@@H]3CCC(=O)N(C)C3)CC2)cc1 152420116 HVJBEGPCOGIBHN-OAHLLOKOSA-N 317.433 1.874 10 10 DDCE NC(=O)[C@H]1COCCN1c1ccc(CNC2CC2)cc1Cl 159021626 BFNIOQGPOUMITO-CQSZACIVSA-N 309.797 1.283 10 10 DDCE Cc1ccc(O)c(CNCC(=O)N2CCC[C@H](C(=O)O)C2)c1 1857867814 CQDIPRHMMFFARC-LBPRGKRZSA-N 306.362 1.113 10 10 DDCE NCc1ccc(N2CC(OCCO)C2)cc1Br 1946921533 RVVBCXQOXHFQAO-UHFFFAOYSA-N 301.184 1.105 10 10 DDCE CN1CC[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 891247091 HGLHPZBYVPFDJR-DOTOQJQBSA-N 318.465 1.423 10 10 DDCE COC(=O)[C@@](C)(N)c1cc(I)ccc1O 1951734199 ZQJGYSLWHDXQNW-JTQLQIEISA-N 321.114 1.344 10 10 DDCE O=S1(=O)C[C@H]2C[C@@H](CN(Cc3c(O)cccc3Cl)C2)C1 1972377184 PAGMMQMTUXGQFL-QWRGUYRKSA-N 315.822 1.912 10 10 DDCE Cc1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1O 1985829959 WKXXCHMYUJMVBJ-KBPBESRZSA-N 322.405 1.770 10 10 DDCE CN1C(=O)C(=Cc2ccc(N3CCCCC3)o2)C(=O)NC1=S 2040470309 RJRRUVWMLXWMJO-UHFFFAOYSA-N 319.386 1.526 10 10 DDCE CCOCC(C)(C)CNS(=O)(=O)Cc1ccc(N)cc1 312613310 VJFCCSGDGHLCHN-UHFFFAOYSA-N 300.424 1.751 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2CCOC[C@H]2OC)c1O 380464556 PUDHQBJRGKNRAX-DGCLKSJQSA-N 301.770 1.948 10 10 DDCE CN1CCN(c2ccc(CN)c(Br)c2F)[C@@H]2C[C@@H]21 2049381696 WZLYGVLKFVRKSE-WDEREUQCSA-N 314.202 1.940 10 10 DDCE CN(C)C(=O)CCN(C)c1ccc(CO)c(Br)c1 2068208546 FHUOUEHAYFJAFZ-UHFFFAOYSA-N 315.211 1.856 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@H](O)[C@H](O)C2)c(Br)c1 2068367902 AHYWVRCTGSPSOH-OXHMUOHRSA-N 315.211 1.401 10 10 DDCE Oc1cc(Br)ccc1CN1CCN[C@@H]2COC[C@@H]21 2068834518 XPJOVTVKVQNMBT-NEPJUHHUSA-N 313.195 1.327 10 10 DDCE CSCC[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2234171636 NJKNFXWFZMBLAQ-VGMNWLOBSA-N 300.388 1.124 10 10 DDCE COc1ccc(N(C)[C@H](C)CS(C)(=O)=O)c(C(=O)O)c1 2235947772 KGBQBYOXKDFNLT-SECBINFHSA-N 301.364 1.263 10 10 DDCE C[C@H](O)CN(CCCN=[N+]=[N-])CCNC(=O)OC(C)(C)C 2241657918 BPXRVQCGAVOBDB-NSHDSACASA-N 301.391 1.894 10 10 DDCE CSc1ncc(CNC(=O)c2cnc(CN)s2)s1 2257021888 BXRGHNIFGZMFBN-UHFFFAOYSA-N 300.434 1.710 10 10 DDCE Cc1cc(O)cc(C)c1NS(=O)(=O)C1CC2(C1)OCCO2 2263519433 RJMBHVSNDOVMBH-UHFFFAOYSA-N 313.375 1.656 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CNCCC2(F)F)s1 2269090973 SRDSLHOZTASZFK-MRVPVSSYSA-N 307.391 1.726 10 10 DDCE CCC[C@H](NC(=O)NCc1cnc(SC)s1)C(=O)O 2269119212 PXDPYGSZZRWNMW-QMMMGPOBSA-N 303.409 1.918 10 10 DDCE CO[C@@H](CNC(=O)NCc1cnc(SC)s1)CC(=O)O 2284505186 SKBDNVFQUCYZEZ-SSDOTTSWSA-N 319.408 1.154 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)N2CCc3ccncc32)c1 492433261 BLBRHEDXODMMHV-NSCUHMNNSA-N 308.341 1.439 10 10 DDCE COC(=O)C=Cc1ccc(N2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 2311028563 SXMXFOJUJPRTPC-ABAIWWIYSA-N 320.345 1.988 10 10 DDCE Cc1ccc(CN(C)OCC(=O)O)c(O)c1Br 2307480442 UDBJFSDDLWDIKW-UHFFFAOYSA-N 304.140 1.911 10 10 DDCE NCc1ccc(N2CC3(COC(=O)N3)C2)cc1Br 2326910333 AXDCSQCRAMYSDG-UHFFFAOYSA-N 312.167 1.206 10 10 DDCE CS(=O)(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1 126216056 ZBNPVBNFMCNQMG-UHFFFAOYSA-N 307.327 1.754 10 10 DDCE Cc1cnn(C[C@@H]2CN(Cc3cc(F)ccc3O)CCO2)c1 180117582 UQZFFTFOFWVFRX-HNNXBMFYSA-N 305.353 1.937 10 10 DDCE Nc1ccc(OCCNc2ccc(S(N)(=O)=O)cc2)cc1 38079661 XOMWORZHPBGUFR-UHFFFAOYSA-N 307.375 1.407 10 10 DDCE Cc1ncc(S(=O)(=O)Nc2ccc(O)cc2F)cc1C#N 314821473 ZNSOQWIBAGWNNM-UHFFFAOYSA-N 307.306 1.907 10 10 DDCE COc1ccc(N2CCN(S(=O)(=O)CCC3CC3)CC2)cc1 92280829 DUGKOOMJWZGGEW-UHFFFAOYSA-N 324.446 1.947 10 10 DDCE COC[C@H](O)CN(C)c1ccc([C@@H](C)N)c(Br)c1 234708729 JVHFEANOSVXSIZ-MWLCHTKSSA-N 317.227 1.912 10 10 DDCE Cc1ccnc(N/C=C2\C(=O)NC(=S)N(CC(C)C)C2=O)c1 255312502 PFHDIKLKABWYPT-YRNVUSSQSA-N 318.402 1.585 10 10 DDCE CCOC(=O)C1(O)CCN(Cc2cc(OCC)ccc2O)CC1 271206615 SGTPKHWBEBICLS-UHFFFAOYSA-N 323.389 1.681 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H](CO)CC3)cc2N1 378832852 KUJIGFFDXURIBX-SNVBAGLBSA-N 321.333 1.525 10 10 DDCE COc1cc(N2CC(=O)N(C)[C@H](C)C2)c([N+](=O)[O-])cc1OC 283603076 TUSUSYIXSIRHMW-SECBINFHSA-N 309.322 1.279 10 10 DDCE CC[C@H](NCc1cc(OC)c(OC)cc1O)[C@@H](O)C(F)F 295082324 QNBNSGQFXCYWCX-TVQRCGJNSA-N 305.321 1.904 10 10 DDCE COc1cc(C(=O)OCC(=O)C(C)=O)sc1Br 808531262 NBKJEYQCLCWUPC-UHFFFAOYSA-N 321.148 1.834 10 10 DDCE CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)OCC(=O)C(C)=O 808513357 FCBWEUJAHYBTMU-HNNXBMFYSA-N 315.366 1.771 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@@H](C)CO)C2)cc1 824688376 WRPBCIIPPAEXJD-UONOGXRCSA-N 321.421 1.544 10 10 DDCE COc1cccc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1O 825200343 DCZPDXBRGUZAQQ-OCCSQVGLSA-N 311.403 1.552 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3OC)CC2)c(OC)c1 827951025 VDSWSJWWPJWYIH-UKRRQHHQSA-N 320.389 1.387 10 10 DDCE COc1ccc(O)c(CNC(=O)c2cc3c([nH]2)CCOC3)c1 837484596 IECHGNYVHVRVTP-UHFFFAOYSA-N 302.330 1.732 10 10 DDCE CC(C)(O)CN1CCN(Cc2cc3c(cc2O)CCC3)CC1 742150990 MXYJCEGPGZYZGP-UHFFFAOYSA-N 304.434 1.769 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CC[C@@]2(CCCN2)C1 841105897 BOFAZBCWOPGONW-SFHVURJKSA-N 301.434 1.851 10 10 DDCE COc1cc(C)cc(CN2CCN(c3nncn3C)CC2)c1O 848496788 FESROXKZCSIILT-UHFFFAOYSA-N 317.393 1.160 10 10 DDCE Cc1cc(C)c([C@@H](C)NC[C@]2(OCCO)CCOC2)c(O)c1 850507049 HURCKGXNDAEAHM-RHSMWYFYSA-N 309.406 1.828 10 10 DDCE Oc1c(F)cc(Cl)cc1CN1CCN2CCOC[C@@H]2C1 757929941 DKRKRSXUGXHFKN-LBPRGKRZSA-N 300.761 1.701 10 10 DDCE CN(C)CCCN(C)CCNC(=O)/C=C\c1ccc(O)c(O)c1 855414782 MASRNQDVSBEQTD-VURMDHGXSA-N 321.421 1.111 10 10 DDCE COc1ccc(O)c(CNc2c3c(nc4ncnn24)CCC3)c1 865538082 FZLNTTDPRZYROS-UHFFFAOYSA-N 311.345 1.939 10 10 DDCE CC(C)(C)OC(=O)COCC(=O)N1Cc2cccc(O)c2C1 871206102 RLFQYNSSWZWGKH-UHFFFAOYSA-N 307.346 1.593 10 10 DDCE COC(=O)[C@]1(O)CCN(Cc2cc(Cl)cc(F)c2O)C1 895704525 WTFDNSRTDLAMKY-ZDUSSCGKSA-N 303.717 1.295 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Cc1cnn(C)c1 1138153031 WJYCMEORXXIFGV-VXGBXAGGSA-N 317.389 1.757 10 10 DDCE CCc1cc(NC(=O)C(=O)NCc2ccc(OC)cc2O)no1 797388856 CIYIGCWZODKPPD-UHFFFAOYSA-N 319.317 1.206 10 10 DDCE [N-]=[N+]=NCCCCNC(=O)CS[C@H]1CCS(=O)(=O)C1 706390125 UQGDBLXAWFIEJR-VIFPVBQESA-N 306.413 1.113 10 10 DDCE O=C(NCc1nccn1CC(F)(F)F)c1cccc(O)c1O 790643083 MIDBIMLHXODKFF-UHFFFAOYSA-N 315.251 1.787 10 10 DDCE Cc1nnc(N(C)Cc2ccccc2O)n1Cc1nncn1C 1304794096 CLVXCYOXCWTEBB-UHFFFAOYSA-N 313.365 1.105 10 10 DDCE CC[C@H]1CN([C@@H](CC)C(=O)NCc2c(O)cccc2O)CCO1 1178912713 WYUXVOQCSDTFBV-JSGCOSHPSA-N 322.405 1.603 10 10 DDCE CCCC(=O)NC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1441360990 JXBHTWUISKXYJF-UHFFFAOYSA-N 320.389 1.548 10 10 DDCE CCC(=O)NCCN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 1528713314 VQOXZHXUSUBGIQ-UHFFFAOYSA-N 319.365 1.837 10 10 DDCE O=C(NC[C@@H]1Cc2ccccc2O1)c1c(F)ccc(O)c1O 1611328057 ZLPVAGGEOMHKGQ-JTQLQIEISA-N 303.289 1.970 10 10 DDCE C[C@@](O)(Cc1ccccc1)C(=O)NCc1cc(O)ccc1O 1558174684 RXKOXVWNHULOLD-QGZVFWFLSA-N 301.342 1.708 10 10 DDCE O=C(N[C@@H]1CCCc2c1cnn2CCO)c1cccc(O)c1O 1556083195 SMFGRDLKFZPPHC-GFCCVEGCSA-N 317.345 1.094 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(OCCO)nc1 1636167293 LHTWAJQQTABYQF-GORDUTHDSA-N 316.313 1.516 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\[C@H]1COC(C)(C)O1 1633818082 DLNGHDHASPEPSY-YQCLLZEUSA-N 321.373 1.853 10 10 DDCE COc1cc(N2CC(n3ccnc3)C2)c([N+](=O)[O-])cc1OC 1642386240 ORCXEYNIDDNWDQ-UHFFFAOYSA-N 304.306 1.870 10 10 DDCE C[C@H](CCNC(=O)NCc1ccc(N(C)C)cc1)[S@@](C)=O 166842088 YQHGMVAHDRJJDO-GTJPDFRWSA-N 311.451 1.709 10 10 DDCE Cc1ccc(O)c(CNCCC(=O)N2C[C@H](C)O[C@H](C)C2)c1 1857864298 HSZAPAXVFLUVAN-OKILXGFUSA-N 306.406 1.816 10 10 DDCE Oc1c(F)cccc1CNCCn1ncc(Br)n1 1875998488 VZFVPDONFFIBCJ-UHFFFAOYSA-N 315.146 1.675 10 10 DDCE OC[C@@H]1CO[C@H](CNCc2ccc(Br)cc2O)C1 1967895181 KTUSUHOXYJXHPR-SKDRFNHKSA-N 316.195 1.642 10 10 DDCE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N)cc1 1993268117 JIZDDNXOBGKIAB-MFKMUULPSA-N 323.393 1.159 10 10 DDCE CC(C)CCOCCNS(=O)(=O)Cc1ccc(N)cc1 45094074 LFTDFSHZSVBZFA-UHFFFAOYSA-N 300.424 1.751 10 10 DDCE Oc1cccc(Br)c1CN1C[C@@H]2OCCO[C@H]2C1 2032425485 YVVLIJOROMMFTD-STQMWFEESA-N 314.179 1.754 10 10 DDCE Cc1cn(CCNCc2ccc(Br)cc2O)nn1 2033277016 YUXCISFOQWHCGS-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE C[C@H]1C[C@@](NCCN=[N+]=[N-])(C(N)=O)CN1Cc1ccccc1 309969031 HRXFWIHCQKEOHB-WFASDCNBSA-N 302.382 1.405 10 10 DDCE CCCN(CCS(C)(=O)=O)[C@@H](C)c1c(O)cccc1O 2170129934 IXNYQPNSTLANDP-NSHDSACASA-N 301.408 1.915 10 10 DDCE CS(=O)(=O)N[C@@H]1CCCN(c2ccc(CO)c(Cl)c2)C1 702957906 KJVGKNPPBQOEPJ-LLVKDONJSA-N 318.826 1.350 10 10 DDCE Oc1ccc(Br)cc1CN1CCO[C@H]2CNC[C@H]21 686539197 PBEJDNXALFRTOZ-YPMHNXCESA-N 313.195 1.327 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H](C(N)=O)C2)c(Br)c1 723170932 JAXLOPPCAKCKFS-PSASIEDQSA-N 312.211 1.780 10 10 DDCE COc1ccc([C@@H](C)n2nc(C3CC3)c(C(N)=O)c2N)c(O)c1 2080007478 PLPNDISAAGQIPS-MRVPVSSYSA-N 316.361 1.765 10 10 DDCE CSc1ncc(CNC(=O)N[C@H]2CCC[C@@H]2C(=O)O)s1 2284536930 HWTIYOXJJAHAAZ-IUCAKERBSA-N 315.420 1.918 10 10 DDCE Cc1nsc(CN(C)S(=O)(=O)Cc2ccc(N)cc2)n1 2288807500 KKNSXAVHPUODRQ-UHFFFAOYSA-N 312.420 1.391 10 10 DDCE CC[C@@H](C)N1C(=O)C(=CNc2ccccc2N)C(=O)NC1=S 2296937110 QSWWUPNIJUNXPC-SECBINFHSA-N 318.402 1.606 10 10 DDCE O=C1NC(=S)N(C2CC2)C(=O)C1=CNCCc1ccccc1 2296937141 WVMWMGZTGYTZNS-UHFFFAOYSA-N 315.398 1.108 10 10 DDCE O=C1CN(C(=O)C=Cc2ccc(O)c(O)c2)[C@@H]2CCCC[C@@H]2N1 2307989761 IOVBTQVBTPJXFZ-QWHCGFSZSA-N 316.357 1.381 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N[C@H]1c2ccccc2C[C@H]1O 2308001974 JUOJJOCZDZMCGS-AEFFLSMTSA-N 311.337 1.886 10 10 DDCE Nc1ccc(OC[C@H](O)Cn2ccc(C(F)(F)F)n2)cc1 51327376 ATJKAOKMCHKSEI-SNVBAGLBSA-N 301.268 1.924 10 10 DDCE O=C1[C@@H](CN2CCOCC2)SC(=S)N1c1ccccc1 59397419 GSRJFUBKNGTCCW-GFCCVEGCSA-N 308.428 1.752 10 10 DDCE Cc1cc(C[C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)n[nH]1 181223158 ZMWZXKPFAHWFFH-DFVUYQKZSA-N 301.346 1.890 10 10 DDCE CN(C(=O)/C=C/c1cnccn1)c1ccc(S(C)(=O)=O)cc1 67058779 LLFATDFPATYPAX-FPYGCLRLSA-N 317.370 1.556 10 10 DDCE COC(=O)[C@H](C1CC1)N1CCN(c2ccc(OC)cc2)CC1 316100244 PQMJWYLHJBJNFO-INIZCTEOSA-N 304.390 1.769 10 10 DDCE CC(=O)NC1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 189960376 ZCHKQHSGDUKXPX-UHFFFAOYSA-N 316.405 1.099 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc2c(s1)CC[C@H]2C(=O)O 2365340435 YJECHVLNFPJHHF-SSDOTTSWSA-N 319.408 1.256 10 10 DDCE CCOC(=O)c1sc(NN(C)S(C)(=O)=O)nc1C(C)C 2365341957 SOGODFHMUHPSFN-UHFFFAOYSA-N 321.424 1.662 10 10 DDCE C[C@H]1CCC[C@H](CS(=O)(=O)Nc2ccc(O)cc2N)O1 2364256525 LSQGDKOUXPBUOT-GXSJLCMTSA-N 300.380 1.674 10 10 DDCE COc1ccc(CN2CCC[C@H](CN3CCOCC3)C2)c(O)c1 93018199 HUXBLTDVNIARBA-OAHLLOKOSA-N 320.433 1.945 10 10 DDCE CC[C@H]1C(=O)NC(=O)CN1c1ccc([C@@H](C)NC)cc1Cl 97319339 SAWQLJDNQXUIQA-SKDRFNHKSA-N 309.797 1.862 10 10 DDCE Cc1cc(O)c(CN2CCN(CCC(=O)N(C)C)CC2)cc1C 268381310 ZBWWXEOPILAQPC-UHFFFAOYSA-N 319.449 1.605 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)CCCCO)c([N+](=O)[O-])c1 276250318 QPFXUPUCXGUHHI-SOFGYWHQSA-N 308.334 1.990 10 10 DDCE CCS(=O)(=O)NCCCNCc1cc(Cl)c(F)cc1O 294113785 FZWUFDPJNXQMSE-UHFFFAOYSA-N 324.805 1.604 10 10 DDCE Nc1ccc(Cc2nn(CCCO)c(=O)c3ccccc23)cc1 821186248 ASUBAFUFQAIREK-UHFFFAOYSA-N 309.369 1.952 10 10 DDCE COc1ccc(CNC(=O)C[C@@H]2CCOC[C@@H]2OC)c(O)c1 831032688 HYAQNUNEGRPPEM-NHYWBVRUSA-N 309.362 1.459 10 10 DDCE CN1C[C@@H]2CCN(CC(=O)NCc3ccc(N(C)C)cc3)[C@@H]2C1 839605536 LSSXOBREDVFATD-DOTOQJQBSA-N 316.449 1.005 10 10 DDCE CC[C@@](C)(CO)C(=O)N1CCN(c2ccc(OC)cc2)CC1 847286036 CFAFFCSXOSICHZ-KRWDZBQOSA-N 306.406 1.752 10 10 DDCE Nc1ccc(CC(=O)N2CCC[C@H](c3ccnc(N)n3)C2)cc1 843488467 AUNMVDKDGQKJPY-ZDUSSCGKSA-N 311.389 1.590 10 10 DDCE C[C@H]1[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CCN1C 922556918 KGHXJEYFHHYHTI-XJKSGUPXSA-N 307.413 1.845 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N(C)CCCO)C2)cc1 854297674 QHHHANICUVGWHW-ZDUSSCGKSA-N 307.394 1.298 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3nccc(C)n3)C2)cc1 855223729 HMWWUSPNSPDRFR-ZDUSSCGKSA-N 312.373 1.802 10 10 DDCE Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)c(O)c1O 856088974 MWMUHXFOHNLFBE-LLVKDONJSA-N 321.377 1.234 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C=C3CCNCC3)C2)cc1 852900196 JGGHBNKNSLVPJL-HNNXBMFYSA-N 315.417 1.700 10 10 DDCE COc1ccc(N2CC[C@H](Nc3cc(=O)n(C)cn3)C2)cc1 853760087 HWUISYCCIBETSE-LBPRGKRZSA-N 300.362 1.480 10 10 DDCE Cc1cc(C(=O)NC[C@@H]2CCC(=O)N2)c(C)n1-c1ccccn1 855933804 QZDFLVUJTQYLKP-ZDUSSCGKSA-N 312.373 1.498 10 10 DDCE Cc1cc(C(=O)COC(=O)CO)c(C)n1-c1ccc(F)cc1 765402644 ZOEYNQUBQXKRES-UHFFFAOYSA-N 305.305 1.951 10 10 DDCE C[C@H](C(=O)NCc1ccc2cccnc2c1O)[C@H]1CCC(=O)N1 862025558 XONYEZNMAOLFQP-GXFFZTMASA-N 313.357 1.471 10 10 DDCE CN(C[C@@H]1CC1(C)C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1119023748 WBEKDHMZNPULHZ-LBPRGKRZSA-N 302.374 1.739 10 10 DDCE COCc1nc(C(=O)NCc2ccc(N(C)C)c(F)c2)co1 775824225 MWPCFMGWWNEERO-UHFFFAOYSA-N 307.325 1.956 10 10 DDCE C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)c1nnc(O)n1C 895172817 SGJXZXBDSOJNCG-BTDICHCPSA-N 301.394 1.951 10 10 DDCE CNCc1ccc(N(C)Cc2ncnn2C)c(Br)c1 707677693 CCJACFUEDMUUGG-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE CN(C)C(=O)C1(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 791208309 HPEHDTFNMFZJSP-UHFFFAOYSA-N 315.417 1.771 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@@H]2COC[C@H]2O)cc1Br 708618254 KGLMHMKYLYJNFW-ZEGGKSINSA-N 316.195 1.698 10 10 DDCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@](C)(C(F)F)O1 1148049427 MPMRJPYZNJDUCC-BJOHPYRUSA-N 315.316 1.911 10 10 DDCE C[C@H](O)c1ccc(N(C)C[C@@H]2CCCS2(=O)=O)c(F)c1 694131322 LULHRNWRVMQVJU-JQWIXIFHSA-N 301.383 1.892 10 10 DDCE C[C@@H]1CN(S(=O)(=O)Nc2ccc(O)cc2F)C[C@@H](C)O1 184619685 AMKDUIJAMCQUDW-RKDXNWHRSA-N 304.343 1.297 10 10 DDCE Nc1ccc(CCNC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)cc1 1331943423 SQXUTYGEMWPNBC-AGUYFDCRSA-N 302.374 1.169 10 10 DDCE O=C(CO[C@@H]1CCOC1)NCc1ccc2cccnc2c1O 1331644048 ZWFSNMKDGFZPOC-CYBMUJFWSA-N 302.330 1.362 10 10 DDCE C[C@H](O)CN(Cc1ccccc1)C(=O)c1cc(O)nc(O)c1 1914965884 WOZQUJOJRPBVTQ-NSHDSACASA-N 302.330 1.516 10 10 DDCE C[C@@H]1CN(C(=O)/C=C/c2cn(C)cn2)c2ccccc2C(=O)N1 1520657500 QHRPRWOPDPUVNW-ABZNLYFFSA-N 310.357 1.598 10 10 DDCE N[C@]1(C(=O)O)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 229193190 BDAGEPXZHPQCEL-GFCCVEGCSA-N 305.161 1.687 10 10 DDCE COc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)n(C)n1 1558457278 LKDNCACXFUVKFE-UHFFFAOYSA-N 302.294 1.843 10 10 DDCE CC(C)CS(=O)(=O)CCC(=O)NCc1cccc(O)c1O 1633507772 JWFFEGWUKLJASR-UHFFFAOYSA-N 315.391 1.175 10 10 DDCE CCOC(=O)/C=C\CN(CC(=O)OCC)Cc1ccccc1O 1653969881 MDTIJHAWOKESLW-YFHOEESVSA-N 321.373 1.877 10 10 DDCE CCC[C@H](C(=O)N[C@H](C)c1ccccc1O)S(N)(=O)=O 1587447164 KRTFMBIFJFKOOT-BXKDBHETSA-N 300.380 1.027 10 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DDCE C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)Cc1ccc(O)c(O)c1 2062779637 KKBIGYWOYAEJAX-ISVAXAHUSA-N 319.279 1.819 10 10 DDCE O=C1C[C@H](C(=O)Nc2ccc(O)c(O)c2)[C@@H]2CCCC[C@@H]2N1 2064264186 AZNHVFLNSVTYGM-SRVKXCTJSA-N 304.346 1.731 10 10 DDCE Cc1c([C@H](NN)c2ccccc2O)nn(C)c1Br 2049245339 QDVRTSRIVRATOC-LLVKDONJSA-N 311.183 1.749 10 10 DDCE N[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)[C@@H]2COC[C@@H]12 2102140927 LCFDMMKPAQGGOW-MVWJERBFSA-N 303.189 1.857 10 10 DDCE CN[C@@H](C)c1cnc(Sc2nnnn2CC(F)F)s1 2225661184 QNRLKOOGWQXSTC-YFKPBYRVSA-N 306.367 1.826 10 10 DDCE CSc1ncc(CNC(=O)c2cccc(C(=O)O)n2)s1 2284494639 PRNYDBASRIZPDN-UHFFFAOYSA-N 309.372 1.888 10 10 DDCE Nc1ccc(N2C(=O)[C@@H]3COC[C@H]3C2=O)cc1Br 2316475229 OFYJAAGWAGHTNN-HTQZYQBOSA-N 311.135 1.167 10 10 DDCE Cc1ccc(CN[C@@H]2C[C@@H](O)C[C@H]2O)c(O)c1Br 2327800052 FIEMYYWXMXGIQA-GMTAPVOTSA-N 316.195 1.437 10 10 DDCE NCc1cc(F)c(N2C[C@H]3C[C@H](O)[C@@H](O)[C@@H]2C3)cc1Cl 2355630457 PMRDIJCZYJJVPF-DQRILILZSA-N 300.761 1.258 10 10 DDCE CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCc1ccc(N(C)C)c(F)c1 57557967 OHGJSSUEOWZPAC-IINYFYTJSA-N 324.400 1.591 10 10 DDCE Cc1cccc(N2CCN(C(=O)c3cc(O)nc(O)c3)CC2)c1 170223496 WOFYJBIUZAFLNY-UHFFFAOYSA-N 313.357 1.764 10 10 DDCE COc1ccc(O)c(CNC(=O)Cc2cn3ccsc3n2)c1 114544258 QVHVNDBJGYSWLA-UHFFFAOYSA-N 317.370 1.969 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@](C(=O)O)(c2cc(O)nc(O)c2)C1 1952377331 XKWQMGHTTMHULK-HNNXBMFYSA-N 324.333 1.456 10 10 DDCE CCC[C@]1(C)C(=O)NCCN1Cc1cc([N+](=O)[O-])ccc1O 187306500 WLZKPKFHYVXYIQ-OAHLLOKOSA-N 307.350 1.791 10 10 DDCE CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccc(N)cc2)CC1 224092498 ZAQQHHZAQCTIKS-UHFFFAOYSA-N 319.405 1.891 10 10 DDCE NC(=O)CN(Cc1ccc(N)cc1)c1ncc(Cl)cc1F 94052667 OMAPNMLVDCMFLU-UHFFFAOYSA-N 308.744 1.948 10 10 DDCE Cc1cccc(CNC[C@]2(CO)COCC3(CCC3)N2C)c1O 529644021 LUUPVOXEFTYMBA-SFHVURJKSA-N 320.433 1.406 10 10 DDCE COc1ccc(O)c(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 529675393 QDDKOQVZNVIYMP-KGLIPLIRSA-N 311.403 1.552 10 10 DDCE CCOC[C@H](CN)NCc1ccc(C)c(Br)c1O 2327627638 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DDCE C[C@@H](N)c1ccc(N2CCCS(=O)(=O)CC2)c(Cl)c1 235214651 PSYVFHLPRJMMPS-SNVBAGLBSA-N 302.827 1.985 10 10 DDCE CSC1(CNS(=O)(=O)Cc2ccc(N)cc2)CCC1 235034921 NFLXULPLCXYTGG-UHFFFAOYSA-N 300.449 1.974 10 10 DDCE Cc1ccc(O)c(CNCCC(=O)NCCCn2ccnc2)c1 1857861876 OGQGRXFCAGTXEJ-UHFFFAOYSA-N 316.405 1.583 10 10 DDCE Oc1c(F)cc(Br)cc1CNCc1ncno1 1947003220 JMJASOYJILXOJZ-UHFFFAOYSA-N 302.103 1.967 10 10 DDCE O=C1NCCN[C@@H]1c1cc(Cl)cc(Br)c1O 1951965325 IKIZMCFJHURCOC-MRVPVSSYSA-N 305.559 1.569 10 10 DDCE Cc1cc(NS(=O)(=O)N2CCCC[C@H]2CO)ccc1O 2157772444 KNUBZMWURDZSCT-LBPRGKRZSA-N 300.380 1.204 10 10 DDCE C[C@@](O)(CO)CNCc1cc(Cl)cc(Br)c1O 708098989 OAOXFUFJEUFQGC-NSHDSACASA-N 324.602 1.641 10 10 DDCE CN(c1ccc(CO)cc1Br)[C@@H]1COC[C@H]1O 708599528 FGEOWJPBRGTWSX-VXGBXAGGSA-N 302.168 1.137 10 10 DDCE CN(C[C@@H]1CCCS1)S(=O)(=O)Cc1ccc(N)cc1 718396085 UOMAFKYAYBIPDP-ZDUSSCGKSA-N 300.449 1.926 10 10 DDCE CNCc1ccc(N2CCOC[C@@H](O)C2)c(Br)c1 399989164 ORGHCRPCPAXNBW-NSHDSACASA-N 315.211 1.366 10 10 DDCE CCS(=O)(=O)C[C@@](C)(CN)N(C)c1ccc(OC)cc1 2170566240 JXSZQXPKNPZZNG-CQSZACIVSA-N 300.424 1.284 10 10 DDCE CC1(C)[C@H](O)[C@@H](O)CN1c1ccc(CO)c(Br)c1 2060876625 WTGNXVNOXXEQHQ-NWDGAFQWSA-N 316.195 1.262 10 10 DDCE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1c1ccc(CO)c(Cl)c1 2113954207 FGXURWXVUKRDRD-NXEZZACHSA-N 303.811 1.844 10 10 DDCE CNCc1ccc(N2CC[C@H]2[C@H](O)CO)c(Br)c1 2258346129 PBCWIBVDBJIQAC-QWHCGFSZSA-N 315.211 1.100 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@@](O)(C(F)(F)F)C1 2308001376 CQYYMJDPIZDWSM-ZDUSSCGKSA-N 317.263 1.637 10 10 DDCE CC(C)(C)OC(=O)N[C@@]1(c2ccc(O)c(O)c2)C[C@H]1C(=O)O 1952774508 IALBAEDHAZQWFI-BJOHPYRUSA-N 309.318 1.922 10 10 DDCE CN(C)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 70460513 RREGYKXVYPOJRN-UHFFFAOYSA-N 301.371 1.866 10 10 DDCE CCNC(=O)CN(C)c1ccc(CN)cc1Br 212878555 RMKYAHONJCBDCM-UHFFFAOYSA-N 300.200 1.480 10 10 DDCE CN(C)[C@@H]1CCCN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 221205291 DXAITMMFPNQFOO-YMTOWFKASA-N 308.813 1.822 10 10 DDCE COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cc(Cl)cc(C)c1O 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CO[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCOC1 832436154 HLTLOVHASQBVPQ-BJJXKVORSA-N 306.406 1.981 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CNCC[C@H]2C)c1 841977041 QEYQDXBHLWUANY-UHIISALHSA-N 307.394 1.759 10 10 DDCE COC(OC)[C@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 923675816 GDWKNNFPFLUWSG-LBPRGKRZSA-N 309.410 1.901 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCC[C@@H]3C[C@@]32C(=O)O)cc1 929016836 QYGIKYUYHZBYKF-DYVFJYSZSA-N 317.389 1.901 10 10 DDCE O=C(NCC[S@@](=O)CC(F)(F)F)NCc1ccccc1O 852458951 NQZFEQYJWPEPSX-OAQYLSRUSA-N 324.324 1.502 10 10 DDCE COC[C@@H](CCNCc1ccc(N2CCOCC2)cc1)OC 850345382 XULBZDDUHLSINV-QGZVFWFLSA-N 308.422 1.664 10 10 DDCE C[C@@]1(CS(=O)(=O)NCc2c(O)cccc2F)CC1(F)F 921450844 GFLSJFIYFOOFIK-NSHDSACASA-N 309.309 1.996 10 10 DDCE COCCN(CCF)CC(=O)NCc1ccc(N(C)C)cc1 852482443 HUCOGTVKRVVRRC-UHFFFAOYSA-N 311.401 1.287 10 10 DDCE C[C@H](O)[C@@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F 865739981 YRCOOIOPORFBCY-ZANVPECISA-N 306.328 1.603 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)COCC(F)F)cc1 862129883 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CCCCOc1ccccc1C=C1C(=O)NC(=O)N(C)C1=O 2313548031 JGYMDZOEMJTZJA-UHFFFAOYSA-N 302.330 1.957 10 10 DDCE CCCCOc1ccc(C=C2C(=O)NC(=O)N(C)C2=O)cc1 2313549040 LTASKTWJABSIFN-UHFFFAOYSA-N 302.330 1.957 10 10 DDCE Cc1ccc(CNCCCNC(N)=O)c(O)c1Br 2327791385 BNGQTVVFQCSVBL-UHFFFAOYSA-N 316.199 1.611 10 10 DDCE Cc1ccc(CN(C)C[C@](C)(O)CO)c(O)c1Br 2327788562 FDRWEVVNLNZROZ-ZDUSSCGKSA-N 318.211 1.638 10 10 DDCE COC(=O)[C@H]1C[C@H](C(=O)NCc2cnc(SC)s2)C1 2337605617 NUFJSTYRIKOOKG-ZKCHVHJHSA-N 300.405 1.680 10 10 DDCE C[C@@H]1CN(C(=O)[C@@H](C)N(C)Cc2ccccc2O)C[C@@H](C)O1 171925569 NGWAOEVNTFQZDM-MGPQQGTHSA-N 306.406 1.848 10 10 DDCE CC[C@@H]1COCCN1S(=O)(=O)CCOc1ccc(N)cc1 70490669 ONNKPQAALSQGQE-CYBMUJFWSA-N 314.407 1.088 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)CCCCCCN 2364177873 HMHHSJCTEXPEOE-UHFFFAOYSA-N 300.424 1.673 10 10 DDCE C[C@H](NC(=O)C[C@H]1CCNC1)c1ccc(N2CCOCC2)cc1 130563147 DMYSSOFUYVBKBN-LSDHHAIUSA-N 317.433 1.700 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1 40315540 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DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)[C@H](C)OC)C2)cc1 852347277 YOSLRHJKBVCEOK-RDBSUJKOSA-N 321.421 1.997 10 10 DDCE CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852844112 QKJNGQBMWHQDAZ-XEZPLFJOSA-N 305.422 1.764 10 10 DDCE COc1c(C(=O)NCc2ccccc2O)cnc2c1cnn2C 752596996 RNTNMTGZHSYBGU-UHFFFAOYSA-N 312.329 1.613 10 10 DDCE CCO[C@H](CS(=O)(=O)Nc1ccc(O)c(OC)c1)C1CC1 863408302 LKAFLIWDRJAGKN-CQSZACIVSA-N 315.391 1.958 10 10 DDCE C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cn[nH]c1 763140993 KWMPYXNPBBNVDA-CYBMUJFWSA-N 315.421 1.785 10 10 DDCE CCO[C@H]1COCC[C@H]1CC(=O)NCc1cc(OC)ccc1O 866767548 UCRSSZRVHVFCDJ-LRDDRELGSA-N 323.389 1.849 10 10 DDCE Cc1nc2ccc(NC(=O)c3c(F)ccc(O)c3O)cn2n1 1183303521 LGVVRFQHFVPBFF-UHFFFAOYSA-N 302.265 1.840 10 10 DDCE [N-]=[N+]=N[C@H]1CCCN(CCS(=O)(=O)N2CCCCC2)C1 1912194590 VIBANGYEAQBLCG-LBPRGKRZSA-N 301.416 1.577 10 10 DDCE CC(=O)Nc1ccc(C(=O)NCCc2ccc(O)c(O)c2)nc1 1445938000 MBGDGAJFHWYMRF-UHFFFAOYSA-N 315.329 1.424 10 10 DDCE CC(C)N1CCC[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1292274899 MRRMCILJDKSLSE-CQSZACIVSA-N 306.406 1.877 10 10 DDCE Cc1oc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)c1ccccc1O 1454817728 LFFMYOGZTYWSJG-QMMMGPOBSA-N 324.358 1.432 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCOc1ccc(F)cc1 1540845562 ARZOWIYHHIOVKV-UHFFFAOYSA-N 305.305 1.975 10 10 DDCE CN(Cc1ccccc1O)C(=O)Cn1nnnc1-c1ccccc1 1545503240 SPBLMRMSXHKQPU-UHFFFAOYSA-N 323.356 1.704 10 10 DDCE CNCc1cc(F)c(N2CCS(=O)(=O)C[C@@H]2C)c(F)c1 228798356 UOVMAOSCHIDTHF-VIFPVBQESA-N 304.362 1.308 10 10 DDCE COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1cccc(O)c1O 1624027294 HEGILRTZWFXXBT-BZNIZROVSA-N 307.346 1.950 10 10 DDCE COCC[C@@H]1COCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1624903154 VOWZQZJABJBNGP-CYBMUJFWSA-N 320.349 1.727 10 10 DDCE COc1ccc(COCC(=O)NCc2c(O)cccc2O)cc1 1639289477 QYTCUKXHPUQGOM-UHFFFAOYSA-N 317.341 1.939 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCCc1nn[nH]n1 1568737818 OLOLCBVFPNJGMS-UHFFFAOYSA-N 310.354 1.030 10 10 DDCE C[S@](=O)Cc1cccc(C(=O)NCc2cc(O)ccc2O)c1 1651222454 GITRQQJSGXPVMW-QFIPXVFZSA-N 319.382 1.906 10 10 DDCE COc1cc(O)c(CN2CCC[C@@H](NC(C)=O)C2)cc1OC 158870264 VRMRLCIQOFSPRM-CYBMUJFWSA-N 308.378 1.510 10 10 DDCE COCCNCc1ccc(N2CCC[C@@H]2C(N)=O)c(Cl)c1 163934809 IFPFYOYZYOBFPT-CQSZACIVSA-N 311.813 1.530 10 10 DDCE CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 151328460 DTIMBIDQGLQCCZ-GFCCVEGCSA-N 318.826 1.559 10 10 DDCE CNCc1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 2151285300 ILPWPZQHCLBONR-SMDDNHRTSA-N 314.838 1.683 10 10 DDCE NC[C@@]1(O)CCCN(Cc2cc(Br)ccc2O)C1 2039807170 VPRZKFUBSULKOQ-ZDUSSCGKSA-N 315.211 1.440 10 10 DDCE COC(=O)CCNCc1cc(Br)cc(F)c1O 715776721 DQYKKMVINDBQFR-UHFFFAOYSA-N 306.131 1.947 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCn3ncnc3C2)c1 2062118575 LGCSPJVFVILIKF-GHMZBOCLSA-N 316.361 1.432 10 10 DDCE COCn1nccc1S(=O)(=O)Nc1ccc(O)cc1Cl 2174001760 KMCQMHLFVHGHOB-UHFFFAOYSA-N 317.754 1.647 10 10 DDCE CCOC1(CO)CN(c2ccc(CN)cc2Br)C1 2052825732 DECYUWWYDFGZIX-UHFFFAOYSA-N 315.211 1.495 10 10 DDCE CN[C@H](C)c1cc(F)c(N2CC(S(C)(=O)=O)C2)c(F)c1 2194704762 PRJZSMKKJSJYQW-MRVPVSSYSA-N 304.362 1.478 10 10 DDCE O=C1NC(=O)N(C[C@@H]2CCCO2)C(=O)C1=Cc1cccs1 2295934215 HYZNETGXVVCRQN-VIFPVBQESA-N 306.343 1.389 10 10 DDCE COC[C@@H]1CNCCN1c1cc(Cl)c(OC)cc1OC 2285937914 WRVUNKUKOUTTKT-JTQLQIEISA-N 300.786 1.782 10 10 DDCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/O 101350098 VFHALGNWFDGIHT-VMPITWQZSA-N 311.091 1.474 10 10 DDCE Cc1nc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2O)cn1C 50254292 VJODHKBWJQXSCN-JTQLQIEISA-N 309.391 1.816 10 10 DDCE O=C(COC[C@@H]1CCOC1)NCCCSc1nccs1 117802321 NFSGWBDOLXINAO-LLVKDONJSA-N 316.448 1.795 10 10 DDCE COC[C@H](O)CN1CCC(N[C@@H](C)c2ccccc2O)CC1 183632039 UEIDNZPWMOGWGT-DZGCQCFKSA-N 308.422 1.515 10 10 DDCE COc1cc(Cl)c(N2CC[C@@H](O)[C@H](CO)C2)c(OC)c1 2368104796 BITJSSXKHHKJTP-JOYOIKCWSA-N 301.770 1.537 10 10 DDCE CN[C@H](c1ccc2c(c1)CCCN2C)[C@H]1CCS(=O)(=O)C1 227029275 KDKWWHFHKHWVBX-GOEBONIOSA-N 308.447 1.764 10 10 DDCE CCOc1ccc(O)c(CN2CCS(=O)(=O)C(C)(C)C2)c1 93735607 GURFKKUXSXXZJP-UHFFFAOYSA-N 313.419 1.800 10 10 DDCE Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)c(O)c1O 370358960 KMRBLFAIGQOGEK-AAEUAGOBSA-N 318.373 1.537 10 10 DDCE CN(C[C@H]1CCCN1C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 817131605 GOEKANMHHRFKGS-SNVBAGLBSA-N 320.349 1.456 10 10 DDCE C[C@@H]1OCC[C@@H]1N(CCO)Cc1ccc(N2CCOCC2)cc1 825129862 GWFISROEXQFLQC-YJBOKZPZSA-N 320.433 1.495 10 10 DDCE COc1ccc(O)c([C@@H](C)NC[C@H]2CCCCN2CCO)c1 824583446 LSFQWUJUUHCVKF-ZIAGYGMSSA-N 308.422 1.898 10 10 DDCE CCN(Cc1ccoc1)Cc1cc(O)n2ncc(C(=O)O)c2n1 737858069 FVRFNWYLWLNXNY-UHFFFAOYSA-N 316.317 1.748 10 10 DDCE C[C@H](NC(=O)NCCCN)c1ccc(N2CCOCC2)cc1 841740014 DBKTZFAIINHSDZ-ZDUSSCGKSA-N 306.410 1.232 10 10 DDCE O=C(C[C@@H]1CCCS1(=O)=O)NCc1c(O)cccc1F 928712754 UMCKXYNCXUXWLS-VIFPVBQESA-N 301.339 1.115 10 10 DDCE COCC1(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CC1 854299759 LBKSCYBGCKQILS-ZDUSSCGKSA-N 319.405 1.752 10 10 DDCE O=S(=O)(CCOCC1CCC1)NCc1c(O)cccc1F 921451109 KCKSHAVXKPQHIC-UHFFFAOYSA-N 317.382 1.767 10 10 DDCE CO[C@@H](C)CNC(=O)NCc1cc(Br)ccc1O 852530459 GAIBHZSCLVQYKU-QMMMGPOBSA-N 317.183 1.989 10 10 DDCE Cc1ccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)nn1 866672706 QUGLWOLANQYXAD-UHFFFAOYSA-N 324.381 1.469 10 10 DDCE COC(=O)c1oc(C(=O)NCCc2ccc(O)c(O)c2)cc1C 860234570 HLQQHHDATVUMHY-UHFFFAOYSA-N 319.313 1.758 10 10 DDCE CCN1C(=O)/C(=C\c2cn(C[C@H]3CCOC3)nn2)SC1=S 865213328 WYAFOYHETFBUAI-JTTRITNRSA-N 324.431 1.536 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc2ncnn12 773744795 WFARBDWREDHEOJ-JTQLQIEISA-N 312.329 1.502 10 10 DDCE COCN1CC2(CCNCC2)Nc2cc3c(cc21)OCCO3 76934442 CKZDHPLHMGBOFS-UHFFFAOYSA-N 305.378 1.416 10 10 DDCE CCCN1CCC(CNC(=O)Cc2ccc(O)c(O)c2)CC1 1136568849 UDFBDNMQHQFIQV-UHFFFAOYSA-N 306.406 1.879 10 10 DDCE CCN1CC[C@@H](NCc2cccc(Br)c2O)C1=O 708662374 ICAUTNTXXVVCTA-LLVKDONJSA-N 313.195 1.865 10 10 DDCE C[C@H](C(N)=O)N(C)Cc1cc(Br)cc(F)c1O 715786719 SKOIDCVWRXRFFQ-ZCFIWIBFSA-N 305.147 1.599 10 10 DDCE CCO[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CN(C)C 1303417642 LHWVYDYPDIBXCK-CYBMUJFWSA-N 321.381 1.546 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2cocn2)cc1C 1321468037 ACDIWQGHRKMKLV-GFCCVEGCSA-N 303.362 1.900 10 10 DDCE C[C@H]1C[C@@H]1CNC(=O)C(=O)NCCCSc1nccs1 1258429111 YZJPCINWBGERRQ-VHSXEESVSA-N 313.448 1.514 10 10 DDCE C[C@@H](N)c1ccc(N(CCO)C2COC2)c(Br)c1 1915538510 FXPULMWBEZKDMW-SECBINFHSA-N 315.211 1.666 10 10 DDCE COC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1603554451 FBGVBIGVQJMVIG-INIZCTEOSA-N 315.325 1.671 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CC[C@@H]1C(N)=O 1540567502 OGSVZTZABCLTRC-JKSUJKDBSA-N 315.417 1.757 10 10 DDCE C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1639507274 OXDNYAPRZIIFFI-QWRGUYRKSA-N 304.350 1.940 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccnc1 1570514794 PMAZGWNVHSHJOC-UHFFFAOYSA-N 314.341 1.993 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NCc1ccccc1O 1930121585 UMCPMQJLTNTRMG-STQMWFEESA-N 308.378 1.774 10 10 DDCE NS(=O)(=O)c1sccc1C(=O)N1Cc2cccc(O)c2C1 1650675267 UWBUOFSKXUKUKM-UHFFFAOYSA-N 324.383 1.257 10 10 DDCE C[C@H](Oc1ccc(C=O)cc1)C(=O)NCc1c(O)cccc1O 1597574672 PWWAAXWDIYEASW-NSHDSACASA-N 315.325 1.994 10 10 DDCE COCCCNCc1ccc(OC)c(CN2CCOCC2)c1 13735944 WMURRDPQOYGRHT-UHFFFAOYSA-N 308.422 1.654 10 10 DDCE O=C(NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1cc(O)c(O)c(O)c1 1865875628 CPOPEEZTTZLNPA-XAALNOIJSA-N 319.357 1.617 10 10 DDCE CC(=O)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)CC1(F)F 1888172150 UMDMHOGKWIIJKO-LBPRGKRZSA-N 307.293 1.152 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCN(C[C@@H](N)c2ccccc2O)C1 1980561929 POWHCEBTAQAVGP-GXTWGEPZSA-N 321.421 1.991 10 10 DDCE O=C(O)[C@@H]1[C@@H]2OCCN(Cc3cc(Cl)cc(Cl)c3O)[C@H]21 2149278163 BCLYCMXUKPKBJW-NHCYSSNCSA-N 318.156 1.983 10 10 DDCE COc1ccc([C@@H](C)NCCS(=O)(=O)C(C)C)c(O)c1 381184277 QOHAKZFKLLBOIG-LLVKDONJSA-N 301.408 1.875 10 10 DDCE CC(C)(C)S(=O)(=O)CCCNCc1ccc(O)cc1O 2191419576 PSLSZTMRCZIIHH-UHFFFAOYSA-N 301.408 1.791 10 10 DDCE Oc1cc(Br)ccc1CN1CCN[C@H]2COC[C@H]21 2068834519 XPJOVTVKVQNMBT-NWDGAFQWSA-N 313.195 1.327 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@@H]2CNC[C@@H]2C)s1 2269096280 RYQXQLYCMWNDHJ-IUCAKERBSA-N 321.493 1.140 10 10 DDCE CC[C@@H](NCc1c(Br)ccc(OC)c1O)C(N)=O 2220446703 CLGYWAMUGAZSHE-SECBINFHSA-N 317.183 1.517 10 10 DDCE OC[C@@H]1NC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]21 2235567733 QBURHBYFQKEANP-NDMJEZRESA-N 317.216 1.711 10 10 DDCE CSc1ncc(CNC(=O)c2cccn3cnnc23)s1 2284537006 INACRPFLUDSCPF-UHFFFAOYSA-N 305.388 1.838 10 10 DDCE Cc1ccc(CNC(=O)C=C[C@H](C)N)c(O)c1Br 2327585096 UJFVIYAZURCZFZ-VIFPVBQESA-N 313.195 1.983 10 10 DDCE Cc1ccc(CN(C)C(=O)[C@@H](C)ON)c(O)c1Br 2327613944 ZARJPNIIAXADGP-MRVPVSSYSA-N 317.183 1.700 10 10 DDCE COCCN1[C@@H](C)CN(Cc2cc([N+](=O)[O-])ccc2O)C[C@H]1C 178981568 XJVDEWJWICLIIU-BETUJISGSA-N 323.393 1.841 10 10 DDCE Cc1cc(Cl)cc(CN2CCS(=O)(=O)C[C@@H]2C)c1O 180313516 QTFYHBVECVGNKQ-JTQLQIEISA-N 303.811 1.973 10 10 DDCE C[C@@H]1OCC[C@@H]1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 184300397 NCGUFMDNWVBDIL-WFASDCNBSA-N 312.435 1.692 10 10 DDCE CN(C)c1ccc(CN2CCO[C@@H](Cn3cccn3)C2)cc1 122144214 HKIHEDKJXXLSOH-QGZVFWFLSA-N 300.406 1.850 10 10 DDCE Cc1nc(S(=O)(=O)N2CC[C@@H](CN=[N+]=[N-])C2)c(Cl)n1C 2364140704 JZVVBNOFBWKFIW-QMMMGPOBSA-N 318.790 1.703 10 10 DDCE CCOc1ccc(O)c(CN2CCS(=O)(=O)CC[C@H]2C)c1 192056272 DUYVLVGXNLRGAL-GFCCVEGCSA-N 313.419 1.800 10 10 DDCE COc1cc(Cl)c(N2C[C@@H](OC)C[C@@H]2CO)c(OC)c1 2368104893 CMJDNSSZZYOWTP-KOLCDFICSA-N 301.770 1.943 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@@H](NC(N)=O)C(C)C)cc1 193631863 QKGKDBUYZKXXNQ-HNNXBMFYSA-N 320.437 1.842 10 10 DDCE COC(=O)[C@@H](CF)NC(=O)c1cc(C)n(-c2ccccn2)c1C 288042013 DINOIXRQECBCJN-CYBMUJFWSA-N 319.336 1.730 10 10 DDCE C[S@](=O)CC1CN(c2ccc(CN)cc2C(F)(F)F)C1 2166658048 UOKQTIPWFORMNN-FQEVSTJZSA-N 306.353 1.979 10 10 DDCE CC(=O)C(=O)COC(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 808536853 WWWZLGGXFJGEMC-NSHDSACASA-N 313.350 1.381 10 10 DDCE CC(=O)CCc1ccc(O[C@H](C)C(=O)OCC(=O)C(C)=O)cc1 808508586 IUWXLIBRLQGWES-CYBMUJFWSA-N 320.341 1.677 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)CCc1cnn(C)n1 825678302 CSCGJXSPBWMCOD-UHFFFAOYSA-N 302.378 1.892 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C[C@H](O)C(F)(F)F 823576532 RNVYQPZMHUWDLN-LBPRGKRZSA-N 321.295 1.681 10 10 DDCE O=C(NCc1ccccc1O)NC[C@H]1CCN1C1CCOCC1 915525483 PEEQWNLJFRMZKM-OAHLLOKOSA-N 319.405 1.445 10 10 DDCE N=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC1CC1 849039691 NLTCOYLXQOJJMB-UHFFFAOYSA-N 310.348 1.578 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CC3(N)CCC3)C2)cc1 851639701 KAJASVBXTIRKHX-CYBMUJFWSA-N 303.406 1.662 10 10 DDCE CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1c(O)cccc1F 928712050 NMZSTCBYMRHLOF-ZDUSSCGKSA-N 308.353 1.795 10 10 DDCE COc1ccc(N2CCCN([C@@H]3CCN(OC)C3=O)CC2)cc1 929316418 PVATVQDKXHVTCY-MRXNPFEDSA-N 319.405 1.370 10 10 DDCE CO[C@@H]1COCC[C@@H]1CNC(=O)NCc1c(O)cccc1F 922697396 UDUTZWUWUWAMIN-QMTHXVAHSA-N 312.341 1.382 10 10 DDCE COc1ccc(N2CCN(CCc3nnc(C)o3)CC2)cc1 929152950 KGJNXXYZZJZHSK-UHFFFAOYSA-N 302.378 1.751 10 10 DDCE CN1CCN(c2ccc(CNC3CC(CC(N)=O)C3)cc2)CC1 922511810 ODJQSIAIZFBFHW-UHFFFAOYSA-N 316.449 1.182 10 10 DDCE CNC(=O)Cc1nc(COC(=O)c2cccc(O)c2O)cs1 758573377 RIBWBGXYPWOOTP-UHFFFAOYSA-N 322.342 1.200 10 10 DDCE CC[S@@](C)(=O)=NS(=O)(=O)N[C@H](C)c1ccccc1O 867835363 YASLMHUDLWIAJJ-DYBLOJMWSA-N 306.409 1.405 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)[C@@H](O)c1cnc[nH]1 868110348 ZYDDBADDVZMXPX-HNNXBMFYSA-N 303.362 1.978 10 10 DDCE COc1ccc(O)c(CNC(=O)/C=C\COC2CCOCC2)c1 866767865 ZFXHPJFFAUUOFC-IHWYPQMZSA-N 321.373 1.769 10 10 DDCE CCC(=O)N1CSC[C@H]1C(=O)NCc1cc(C)ccc1O 862759303 BDNQGZNZBYMRMG-LBPRGKRZSA-N 308.403 1.628 10 10 DDCE Nc1cccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)c1 776432788 DHEGHIDORZGVCX-UHFFFAOYSA-N 308.315 1.473 10 10 DDCE COC(=O)c1c(CNCCCCO)c2cc(F)ccc2n1C 894581223 ZDBOOTVGZQDDBC-UHFFFAOYSA-N 308.353 1.966 10 10 DDCE COc1cc(N)c(N(C)[C@@H](C)CS(C)(=O)=O)cc1OC 688573142 IKJNMCRQJCYRKX-VIFPVBQESA-N 302.396 1.155 10 10 DDCE NC(=O)[C@@H]1OCC[C@@H]1NCc1cc(Cl)cc(Cl)c1O 2117464750 AXZVJYAMXPOADU-GXSJLCMTSA-N 305.161 1.431 10 10 DDCE C[C@H](NC(=O)NCc1nc(C(N)=O)cs1)c1ccccc1O 1253222118 RTJIBFVLYZBECB-QMMMGPOBSA-N 320.374 1.508 10 10 DDCE COC(=O)C1(NC(=O)Cc2ccc(O)c(O)c2)CCCCC1 1441884112 LLFQHPRCNMFIPH-UHFFFAOYSA-N 307.346 1.632 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)C2CC=CC2)cc1C 1283741865 BRXOAONXDARFMT-MRXNPFEDSA-N 318.417 1.537 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cc2c(nc1O)CCC2 1299571471 WMRPUAFIKCBJEE-UHFFFAOYSA-N 300.314 1.617 10 10 DDCE NC(=O)Nc1cccc(C(=O)NCc2ccc(O)cc2O)c1 1469158911 GUBYQVLXHWFPNL-UHFFFAOYSA-N 301.302 1.518 10 10 DDCE C[C@H]1OCC[C@@]1(O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1556391751 UJDCTBCDCZGFGX-YMTOWFKASA-N 306.322 1.119 10 10 DDCE C[C@@H]1OCC[C@@]1(O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1556391748 UJDCTBCDCZGFGX-LKFCYVNXSA-N 306.322 1.119 10 10 DDCE NC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1cc(O)cs1 1633771856 WUDUNQMSBYCBDK-ZDUSSCGKSA-N 302.355 1.679 10 10 DDCE O=C(NC[C@H](O)c1cnc[nH]1)c1cc2cc(O)c(O)cc2s1 1644692857 BLWGNCFNDNVYNN-NSHDSACASA-N 319.342 1.499 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cncc(-n2ccnn2)c1 1651225592 PTFPSDGXFSRHOE-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE CC(C)[C@@H]1CCN(S(=O)(=O)CCOc2ccc(N)cc2)C1 158210984 ZTSCPBYENKWDBP-CYBMUJFWSA-N 312.435 1.955 10 10 DDCE Nc1ccc(OC(=S)NS(=O)(=O)c2cccs2)cc1 1858616702 QBBMFWNRHILYCQ-UHFFFAOYSA-N 314.413 1.973 10 10 DDCE CN1C(C)(C)[C@@H](NCc2cc(Cl)ccc2O)CS1(=O)=O 1967824635 JPVBLWFTVGIGTD-LBPRGKRZSA-N 318.826 1.558 10 10 DDCE Oc1ccc(Br)cc1CN[C@@H]1C[C@@H](O)C[C@@H]1O 2000838143 WYFKTUHCFVABOW-FOGDFJRCSA-N 302.168 1.129 10 10 DDCE C[C@@](C[C@H]1CCCS1(=O)=O)(NCCCN=[N+]=[N-])C(=O)O 2156780823 AKHVMRAIDDWPLA-KOLCDFICSA-N 304.372 1.087 10 10 DDCE O=C1N=C(N2CCOCC2)SC1=Cc1cccc([N+](=O)[O-])c1 2053487842 ROPZHSDQJSWEPA-UHFFFAOYSA-N 319.342 1.897 10 10 DDCE CNCc1ccc(N2CC(=O)N[C@@H](C)C2)c(Br)c1 387036294 QXACKUWMUNMSPW-VIFPVBQESA-N 312.211 1.493 10 10 DDCE NCc1ccc(N2CC[C@H](O)[C@@H](CO)C2)c(Br)c1 396885190 NENYITWSDBCMGE-MFKMUULPSA-N 315.211 1.087 10 10 DDCE CS(=O)(=O)[C@H]1CCCC[C@H]1NCc1ccc(F)cc1O 2204744336 LDRGIGBEGMAIGC-OCCSQVGLSA-N 301.383 1.977 10 10 DDCE COc1ccc(N(C)[C@H](C)CCS(C)(=O)=O)c(CO)c1 2236001413 FYSTVRRLULSRIX-LLVKDONJSA-N 301.408 1.447 10 10 DDCE O=C1CC[C@@H]1CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236168622 QWUSQDVPOQQMEF-SSDOTTSWSA-N 300.292 1.021 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H]3O)c(Br)c1 2258314753 SAYPIUHTRHAREW-YABSGUDNSA-N 311.223 1.986 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@H](C(=O)O)O2)s1 2269093405 CHSHHKYEDGEMLP-SSDOTTSWSA-N 303.365 1.165 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H](C)C[C@@H]2C(=O)O)s1 2284544343 OIFYLEUVEACRQF-VXNVDRBHSA-N 315.420 1.870 10 10 DDCE CCc1nn(C)c2c1[nH]c(=N)n2Cc1cnc(SC)s1 2284703444 ONODRYRUHGSYRR-UHFFFAOYSA-N 308.436 1.971 10 10 DDCE Cc1ccc(CN2CCOCCN2)c(O)c1Br 2307479510 JHRJUKZRFTYAPQ-UHFFFAOYSA-N 301.184 1.800 10 10 DDCE COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1O 68489400 POAMNDKJYVMJHK-QWHCGFSZSA-N 301.346 1.554 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)[C@H](C)NC(C)=O)cc1C 1274665949 YHOUCXHJSJSOGI-OLZOCXBDSA-N 321.421 1.123 10 10 DDCE CCS(=O)(=O)CCOc1ccc(N2CCNCC2)cc1C 63063284 KASLMEBNQZDSJY-UHFFFAOYSA-N 312.435 1.218 10 10 DDCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)c1cn[nH]c1C 37730311 VOERGGJYSFIHJI-UHFFFAOYSA-N 308.407 1.901 10 10 DDCE COCCNC(=O)CNCc1cccc(Br)c1O 134491091 ZKRHBCVYUOWTPA-UHFFFAOYSA-N 317.183 1.007 10 10 DDCE C[C@@H]1CCS(=O)(=O)CCN1Cc1cc2c(cc1O)CCC2 191347202 VWKJEOSNWJLVDT-GFCCVEGCSA-N 309.431 1.890 10 10 DDCE CCOc1ccc(O)c(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1 245701673 DGWSTLVIRALEFV-UONOGXRCSA-N 308.422 1.678 10 10 DDCE Cc1nc(NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)n[nH]1 255613542 DBCXTUKAPKSHOO-DAXSKMNVSA-N 313.361 1.602 10 10 DDCE CCn1nc2c(cc1=O)CN(Cc1ccc(N(C)C)cc1)CC2 371325510 FEIQSUXXBRNSES-UHFFFAOYSA-N 312.417 1.888 10 10 DDCE C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCC1=O 283156275 OTCQTNDRZITXNA-ZDUSSCGKSA-N 303.406 1.280 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1cccc(OCC(F)(F)F)c1 808529869 WYYPQKYKEOFUHR-UHFFFAOYSA-N 318.247 1.872 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 808519724 DGGMDHSAIIDWGJ-WDEREUQCSA-N 313.350 1.381 10 10 DDCE Cn1cncc1CC(=O)NCc1cc(Br)ccc1O 804740666 KZAYEHZRRQBHMB-UHFFFAOYSA-N 324.178 1.747 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCN(C)C(=O)C1 808095347 CHUBANPLMUXCOU-LLVKDONJSA-N 311.378 1.363 10 10 DDCE CCCCOc1ccccc1NC[C@@H](O)CN1CCOCC1 819420134 OVRSUOZMKVUSEG-OAHLLOKOSA-N 308.422 1.971 10 10 DDCE COC[C@]1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCOC1 828861189 MUDFTGGBUYZXDK-CXAGYDPISA-N 306.406 1.983 10 10 DDCE Nc1ccc(Cc2noc([C@H]3CCc4nncn4CC3)n2)cc1 904076721 GSEMKIBKPNWHFN-LBPRGKRZSA-N 310.361 1.954 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCCc3n[nH]cc3C2)c1O 828008125 ASJDBJKRDOTPSQ-UHFFFAOYSA-N 318.333 1.981 10 10 DDCE CC(=O)N1CCC(NC(=O)NCc2c(O)cccc2F)CC1 905150212 ZQOAVEAOXOZIFE-UHFFFAOYSA-N 309.341 1.341 10 10 DDCE [N-]=[N+]=NCCCNS(=O)(=O)c1cncc(Br)c1 44243974 RVGDVYDGHVAIEB-UHFFFAOYSA-N 320.172 1.823 10 10 DDCE Oc1cc2c(cc1CNCCCNCc1cccnc1)OCO2 841043453 VRKYFPROMVRIED-UHFFFAOYSA-N 315.373 1.785 10 10 DDCE CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)/C=C\c1ccc(O)c(O)c1 840560068 PQHHBKCZOALMHT-UKOWJOKBSA-N 318.373 1.627 10 10 DDCE CC(C)(CNC(=O)c1c(F)ccc(O)c1O)[C@@]1(O)CCOC1 844150055 WCQKLRZZZPPRAP-OAHLLOKOSA-N 313.325 1.144 10 10 DDCE Cn1ccnc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 741262267 UQIICTZMYFFLKZ-UHFFFAOYSA-N 318.352 1.326 10 10 DDCE COc1ccc(O)c(CNC(=O)Cc2cn3c(n2)CCCC3)c1 845833889 OVNTZNJEBPDSSZ-UHFFFAOYSA-N 315.373 1.793 10 10 DDCE COc1ccc(CNC(=O)[C@H]2CCc3nc[nH]c3C2)c(O)c1 846949943 KUUQOBZVCRYZOV-JTQLQIEISA-N 301.346 1.545 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3snnc3C)C2)cc1 855228427 CEDZHDARYBJAAQ-LLVKDONJSA-N 318.402 1.864 10 10 DDCE Cc1ccc(C(=O)OC[C@H](C)CS(C)(=O)=O)c(O)c1O 758010374 SWCGAFJCLBSUAC-QMMMGPOBSA-N 302.348 1.244 10 10 DDCE Cc1nn(C)c(C)c1OCC(=O)NCc1c(O)cccc1F 928704844 FPYRRSUMDQGMLY-UHFFFAOYSA-N 307.325 1.577 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]23)cc1 851687595 FUYPRFIQNAAGSG-IJEWVQPXSA-N 315.417 1.480 10 10 DDCE C[C@H]1CC[C@H](NCc2ccc(N3CCN(C)CC3)cc2)CN1 863484590 JWGULEOVNNNWQH-RDJZCZTQSA-N 302.466 1.669 10 10 DDCE C/C=C\CNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 863582677 QZWVGMFGKJDHFZ-CWIOURORSA-N 319.449 1.344 10 10 DDCE COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)c1ccc(C)c(O)c1O 869990111 HFHZNHWPBASEIU-MGPLVRAMSA-N 323.345 1.199 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cn(C[C@H]3CCOC3)nn2)c1 862753345 CMGLDLLOYCGXMR-GFCCVEGCSA-N 316.361 1.259 10 10 DDCE C[C@@H]1C[C@@]2(CC[C@H](CNCc3cc4c(cc3O)OCO4)O2)CO1 886334293 UTEKZEBKATZBRC-NDGTYSDOSA-N 321.373 1.937 10 10 DDCE COc1nn(C)cc1NCc1ccc(N2CCN(C)CC2)cc1 788971137 JFSLTYQZHGBIEJ-UHFFFAOYSA-N 315.421 1.793 10 10 DDCE CNCc1ccc(N(C)[C@@H]2COC[C@@H]2O)c(Br)c1 708076251 UVUBIUJIPKXJJZ-OLZOCXBDSA-N 315.211 1.364 10 10 DDCE CC(=O)c1csc(NS(=O)(=O)Cc2ccc(N)cc2)n1 80887123 MWVAKGUNIKCVDY-UHFFFAOYSA-N 311.388 1.870 10 10 DDCE CN(C)c1ccc([C@H](CN)N(CCO)C(=O)OC(C)(C)C)cc1 698329641 FJJSMIMLCUKGOC-HNNXBMFYSA-N 323.437 1.982 10 10 DDCE CCO[C@@H]1COC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1158048557 HYLDAPNXUHTWQA-VXGBXAGGSA-N 306.322 1.383 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H](S(C)(=O)=O)C2)cc1Cl 2123338291 XGXMRXCFFXMTTR-ONGXEEELSA-N 302.827 1.983 10 10 DDCE Cc1ccc(O)c(CNS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1331365895 WYCILFPBVWBGOT-TXEJJXNPSA-N 314.407 1.144 10 10 DDCE C[C@H]1[C@@H](CO)CCN1CC(=O)NCc1ccc(N(C)C)cc1 1193898141 JKVGABNEWBMDHE-DZGCQCFKSA-N 305.422 1.072 10 10 DDCE COCCNCc1ccc(N2CCNCC2)c(OC(C)C)c1 212160035 UALGUPLQRGYPIH-UHFFFAOYSA-N 307.438 1.619 10 10 DDCE COc1cc(CNCCN(C)C)ccc1N1CCN(C)CC1 212675299 OCDLBIQXYVYMBA-UHFFFAOYSA-N 306.454 1.098 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCS2(=O)=O)cc1 1624178053 FJKXMEFNWNYWBT-NSHDSACASA-N 324.362 1.156 10 10 DDCE CCOCc1nc([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)no1 1625487313 FQELULUWVDSTKL-SECBINFHSA-N 321.333 1.437 10 10 DDCE Cc1cc(=O)c(C(=O)NCc2ccc3cccnc3c2O)c[nH]1 1638573190 MNDVHIGXHRHUPN-UHFFFAOYSA-N 309.325 1.867 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cc2n(n1)CCC[C@@H]2O 1633515518 DHYQDJUGWBDVNA-LBPRGKRZSA-N 303.318 1.052 10 10 DDCE C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1n1ccnc1 1630404906 YIRMFHFPFCLOJU-GXTWGEPZSA-N 315.373 1.947 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCn3ccnc3C2)cc1 1634541640 FMLCSJRKTZVYCF-LBPRGKRZSA-N 312.333 1.790 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1c2ccccc2CC[C@H]1O 1635878788 DALXXBNYQUFISN-QAPCUYQASA-N 313.353 1.805 10 10 DDCE CN1CCCC12CCN(C(=O)Cc1ccc(O)c(O)c1)CC2 1566919076 KJJFDPSWTHJZAN-UHFFFAOYSA-N 304.390 1.727 10 10 DDCE COC(=O)c1ccnc(C(=O)NCc2ccc(O)cc2O)c1 1570462142 FSYCBRCYVPIXHK-UHFFFAOYSA-N 302.286 1.209 10 10 DDCE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)CCN=[N+]=[N-] 1962288247 UCYJPTYRUGOQRO-LBPRGKRZSA-N 313.402 1.991 10 10 DDCE COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@@H](C)OC)C2)cc1C 1690267426 DOGCPQBYNIXVNL-BPLDGKMQSA-N 306.406 1.775 10 10 DDCE CCN(CCO)C(=O)CCNCc1cc(Cl)ccc1O 1857864915 NEMHDEDBFSQOHN-UHFFFAOYSA-N 300.786 1.366 10 10 DDCE O=C(O)[C@H]1[C@H]2[C@@H]1OCCN2Cc1cc(Cl)cc(Cl)c1O 2149278159 BCLYCMXUKPKBJW-JBLDHEPKSA-N 318.156 1.983 10 10 DDCE CCn1nnc(Br)c1[C@@H](O)Cc1ccc(N)cc1 2038783754 GTWMKEYANFKDLS-JTQLQIEISA-N 311.183 1.919 10 10 DDCE CN(C[C@H]1CCS(=O)(=O)C1)c1cc(Cl)c(CN)cc1F 2177383873 RRLDYXULXYQLNE-SECBINFHSA-N 320.817 1.809 10 10 DDCE O=C(C[C@@H](C(F)F)N1CCOCC1)Nc1ccc(O)c(O)c1 2065016411 YLECAQKUNLCAIC-JTQLQIEISA-N 316.304 1.392 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@H](O)[C@H](O)C2)cc1Br 2068371363 VTXCSORRHMQZQB-OXHMUOHRSA-N 315.211 1.401 10 10 DDCE O=C1NCCN(c2ccc(CO)cc2Br)C12CC2 2068302608 WHFFTNOOQQTLQS-UHFFFAOYSA-N 311.179 1.410 10 10 DDCE Nc1ccc(OCCNS(=O)(=O)c2ccc(F)cc2)cc1 32214463 MSHXJYZMYDXVJL-UHFFFAOYSA-N 310.350 1.765 10 10 DDCE C[C@H](NN(C)S(=O)(=O)C1CCC1)c1c(O)cccc1O 2365328547 FQMCYDYBLDVIDI-VIFPVBQESA-N 300.380 1.478 10 10 DDCE NN1C(=O)/C(=C\c2ccccc2OCC(=O)O)SC1=S 212469969 PQWLNGUHSNMJAS-WEVVVXLNSA-N 310.356 1.225 10 10 DDCE CCCNC(=O)CN(C)c1ccc(CN)cc1Br 213054274 GIHLMZIBHBXKCT-UHFFFAOYSA-N 314.227 1.870 10 10 DDCE COC(=O)CCS(=O)(=O)N(Cc1ccc(N)cc1)C(C)C 49063106 FOQLQSNHISQHDZ-UHFFFAOYSA-N 314.407 1.372 10 10 DDCE CN(C)C(=O)C1CCN(Cc2cc3c(cc2O)OCO3)CC1 42912572 GUFVKRFMZZHYDY-UHFFFAOYSA-N 306.362 1.421 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1OC 41379576 XCAONMMWMPELKP-OAHLLOKOSA-N 320.389 1.531 10 10 DDCE CC(C)(C)OC(=O)N1CCC(N)(c2cc(O)nc(O)c2)CC1 1952856689 HQZOKLVXNGYSQR-UHFFFAOYSA-N 309.366 1.678 10 10 DDCE COc1cc(Cl)c(N2CC(OCCCO)C2)c(OC)c1 2368288619 SYRLJYSWIJDPJR-UHFFFAOYSA-N 301.770 1.945 10 10 DDCE COc1ccc(N2CCN(C(=O)C(=O)NCC(C)C)CC2)cc1 242411035 BGHXASVGLZXIKY-UHFFFAOYSA-N 319.405 1.116 10 10 DDCE CCCC[C@@H](NC(=O)NCC)C(=O)NCc1ccc(O)c(O)c1 272337756 NXUXJIQCCUVOQC-GFCCVEGCSA-N 323.393 1.592 10 10 DDCE O=C1N[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CO1 283548483 UWRCTCBFLIIHRO-OLZOCXBDSA-N 320.345 1.008 10 10 DDCE COc1ccc(N2CCN(CCN[C@@H]3CCC[C@@H]3N)CC2)cc1 817893535 GNVQCOZALSZFOP-ZWKOTPCHSA-N 318.465 1.287 10 10 DDCE Cn1cc(C(=O)NCc2ccc(N3CCCC3)cc2)nc1O 821841377 AEZPQSITOCBQIK-UHFFFAOYSA-N 300.362 1.656 10 10 DDCE CC[C@H](O)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 826069189 TXAGIWOEZBRTLL-KRWDZBQOSA-N 320.433 1.673 10 10 DDCE COc1cc(N(C)CC(=O)Nc2ccon2)cc(OC)c1OC 741798473 HIJKUCYBBVFNKO-UHFFFAOYSA-N 321.333 1.775 10 10 DDCE CN(CC(=O)N1CCNCC1)Cc1cc(Cl)cc(F)c1O 843044561 JEUCMRPVUYYTIO-UHFFFAOYSA-N 315.776 1.048 10 10 DDCE COC[C@H]1CCN(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)C1 842785072 LKBNANLHZVVJBC-XJKSGUPXSA-N 320.437 1.430 10 10 DDCE CC(C)NC(=O)NC(=O)[C@@H](C)N1CCCc2cc(CN)ccc21 843349642 HKCLCWAZYOOZPU-GFCCVEGCSA-N 318.421 1.521 10 10 DDCE COC(=O)c1coc(C(=O)NCCc2ccc(O)c(O)c2)c1 759959468 SNBSGLTZKGXMOX-UHFFFAOYSA-N 305.286 1.450 10 10 DDCE Oc1cccc(Br)c1CNC[C@H](O)[C@@H]1CCCO1 858227188 SIKHEPHGMLLFMG-STQMWFEESA-N 316.195 1.784 10 10 DDCE COc1cccc(CNC(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1O 926623802 DJQQUYKPKYJQDL-YUTCNCBUSA-N 318.373 1.791 10 10 DDCE CN(C)c1ccc(CNC(=O)c2c[nH]nc2[C@@H]2CCNC2)cc1 852774462 ANJURMPNIPMMQX-CYBMUJFWSA-N 313.405 1.483 10 10 DDCE CC(C)(C(=O)NCc1ccc2cccnc2c1O)S(C)(=O)=O 862028004 MTUCIZOGRXPZML-UHFFFAOYSA-N 322.386 1.380 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](C1COC1)[C@H](N)c1ccccc1O 1958883393 NVCMCHFDQAELRA-KGLIPLIRSA-N 308.378 1.932 10 10 DDCE COC(=O)[C@@]12C[C@@H](NC(=O)N(C)Cc3ccccc3O)C[C@@H]1C2 876133507 OQOBYDAXNHAMGR-IGCXYCKISA-N 318.373 1.875 10 10 DDCE C[C@@H](O)c1ccc(N(C)[C@H]2COC[C@@H]2O)c(Br)c1 708720002 LTIRRJUQHXLDHU-JCOFBHIZSA-N 316.195 1.698 10 10 DDCE C[C@H](O)c1ccc(N2C[C@H](O)C[C@H]2CO)c(Br)c1 698124745 ABCROPNNOXEYBQ-INTQDDNPSA-N 316.195 1.434 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@@H](O)C[C@H]2CO)cc1Br 698125471 DQDQWOXKESADSJ-MIMYLULJSA-N 316.195 1.434 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCC[C@H]3N)C2)cc1 1347149123 RKZHZVHQGSQLTG-IAOVAPTHSA-N 317.433 1.908 10 10 DDCE CC(=O)N1CCC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 1457778966 DECWVPXKBPMRKT-SNVBAGLBSA-N 310.325 1.225 10 10 DDCE NC(=O)c1ccnc(NCc2c(O)cccc2F)c1[N+](=O)[O-] 1458614977 ACHWJBHLKBIVKY-UHFFFAOYSA-N 306.253 1.546 10 10 DDCE CCCNC(=O)CN(C)c1ccc(CN)c(Br)c1 228149726 VCWMCZADAXZOBX-UHFFFAOYSA-N 314.227 1.870 10 10 DDCE NCc1ccc(N2CCO[C@@H](CO)C2)cc1Br 228154619 PSPUOEOIOWQPAE-LLVKDONJSA-N 301.184 1.105 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](NC(N)=O)C(C)C 1556515487 AFJNCZPTALJSJC-LBPRGKRZSA-N 314.382 1.187 10 10 DDCE O=C(CNC(=O)c1ccc(F)cc1)NCc1cc(O)ccc1O 1558174812 VAKRVFMURBLRBN-UHFFFAOYSA-N 318.304 1.283 10 10 DDCE CNS(=O)(=O)c1cc(C(=O)NCc2cc(C)ccc2O)co1 1557553999 UIWXQSMJCVKFRW-UHFFFAOYSA-N 324.358 1.132 10 10 DDCE CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2O)co1 1635804535 WWIBQNXZWALYFF-VIFPVBQESA-N 324.358 1.384 10 10 DDCE COc1ccc(CNC(=O)NCc2nc(C(C)C)n[nH]2)c(O)c1 1681434126 OMXFYFIEUBGUEC-UHFFFAOYSA-N 319.365 1.642 10 10 DDCE CC(C)C(=O)N1CCC[C@@H]1C(=O)NCCc1ccc(N)cc1 152552988 FXAFGVYFNQCVTG-OAHLLOKOSA-N 303.406 1.575 10 10 DDCE CN1/C(=C/C=C2C(=O)NC(=O)NC2=O)Sc2ccccc21 5446794 OGGLNMQWLOMUTJ-XFFZJAGNSA-N 301.327 1.362 10 10 DDCE CNCc1ccc(N2CC[C@H](CS(C)(=O)=O)C2)cc1Cl 2143673867 IFTLLIBGRWDMHZ-NSHDSACASA-N 316.854 1.930 10 10 DDCE CC(C)S(=O)(=O)CCN(C)Cc1ccc(F)c(F)c1O 1971967030 PJEFJSGXMLPVGA-UHFFFAOYSA-N 307.362 1.925 10 10 DDCE CON(Cc1cc(N)ccc1O)C1CN(C(=O)OC(C)(C)C)C1 1980551929 MGFCUZSQHSZZRO-UHFFFAOYSA-N 323.393 1.957 10 10 DDCE CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1cc(F)ccc1O 2152913591 SIZKHAVUPGOUMB-JSGCOSHPSA-N 301.383 1.977 10 10 DDCE C[C@@H](N)c1ccc(N(C)[C@H]2CS(=O)(=O)C2(C)C)c(F)c1 2153846828 XCVNZUSNEZTRNZ-RNCFNFMXSA-N 300.399 1.857 10 10 DDCE CCCCN(C)S(=O)(=O)Nc1ccc(O)cc1C(=O)O 48847213 DBJZBBRNVKBCGW-UHFFFAOYSA-N 302.352 1.479 10 10 DDCE CCCS(=O)(=O)C[C@@H](C)N[C@H](C)c1cc(O)ccc1O 2170592452 WNTJJGQMZSPDPY-GHMZBOCLSA-N 301.408 1.962 10 10 DDCE C[C@]1(NCc2cc(Cl)cc(Cl)c2O)CCC(=O)NC1=O 2172846312 MRUUZIHPTYGQFG-ZDUSSCGKSA-N 317.172 1.984 10 10 DDCE NCc1cc(F)c(N2CCC[C@@H](CO)[C@H]2CO)cc1Cl 2177384226 WUUCTJCFDCRINT-LKFCYVNXSA-N 302.777 1.507 10 10 DDCE C[C@]1(O)CN(c2ccc(CN)c(Br)c2)CC[C@@H]1O 2081724558 VEJIZSDELZMWGL-STQMWFEESA-N 315.211 1.230 10 10 DDCE COc1ccc(N(C)CC(C)(C)S(C)(=O)=O)c(CN)c1 2235953573 CMHMOCHDUDPEKL-UHFFFAOYSA-N 300.424 1.413 10 10 DDCE COC(C)(C)CS(=O)(=O)CCCOc1ccc(N)cc1 2280299064 PYGWFGDUZFANIG-UHFFFAOYSA-N 301.408 1.878 10 10 DDCE COc1nc(=NCc2cnc(SC)s2)[nH]cc1[N+](=O)[O-] 2284500355 PUOOBBSRXZSWEX-UHFFFAOYSA-N 313.364 1.606 10 10 DDCE CCN1C(=O)C(=Cc2ccc([N+](=O)[O-])s2)C(=O)NC1=S 2296400220 FVQLBIHAFGXEJD-UHFFFAOYSA-N 311.344 1.303 10 10 DDCE CON(CC1CC1)S(=O)(=O)CCOc1ccc(N)cc1 2288887050 ZBQTVPORZHTHMR-UHFFFAOYSA-N 300.380 1.251 10 10 DDCE C[C@@H](CS(C)(=O)=O)N(C)CCCOc1ccc(N)cc1 688583890 RCGMRKKAEQPGDV-LBPRGKRZSA-N 300.424 1.403 10 10 DDCE Cc1ccc(CN[C@@H]2C[C@H](O)C[C@H]2O)c(O)c1Br 2327623209 FIEMYYWXMXGIQA-HBNTYKKESA-N 316.195 1.437 10 10 DDCE Cc1ccc(CN2CC[C@H](O)[C@@H](O)C2)c(O)c1Br 2327623353 GSRKYFIEVZTDMZ-QWRGUYRKSA-N 316.195 1.391 10 10 DDCE CCOC(=O)c1nc(NN(C)S(=O)(=O)CC)sc1C 2339782153 SOWDMMHHLFHKEX-UHFFFAOYSA-N 307.397 1.237 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCNC[C@@H]2C)s1 2346911311 RCFPSKWBPSORTI-UFBFGSQYSA-N 301.437 1.407 10 10 DDCE COCC[C@](C)(O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 178365384 CNQPUFAMFNDBAL-YJBOKZPZSA-N 322.449 1.961 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)CN1CCOC1=S 74391729 WFNYNUIZRIFPOF-UHFFFAOYSA-N 321.446 1.530 10 10 DDCE CCc1nc(S(=O)(=O)Nc2ccc(O)cc2[N+](=O)[O-])c[nH]1 70422311 BCNWVTURZYLYGR-UHFFFAOYSA-N 312.307 1.387 10 10 DDCE O=S(=O)(Nc1ccc(CO)cc1)c1cccc2nsnc12 70332073 YBXZTOYCOIVLBS-UHFFFAOYSA-N 321.383 1.984 10 10 DDCE CNC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)nn1 80600007 YIGYQBANNVJWHO-UHFFFAOYSA-N 303.341 1.653 10 10 DDCE Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 40830653 JSVJLIFTUQQQEX-UHFFFAOYSA-N 312.307 1.441 10 10 DDCE C[C@@](N)(C(=O)O)c1cccc(I)c1O 238416589 VKJAOBYYUKQKGH-VIFPVBQESA-N 307.087 1.255 10 10 DDCE CCCn1[nH]ccc1=NC(=O)CN(C)c1ccc2c(c1)OCO2 255556126 NSCFRRYAUDLKED-UHFFFAOYSA-N 316.361 1.519 10 10 DDCE Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1 276236246 PPJGFRUXBQSMJH-UHFFFAOYSA-N 312.373 1.552 10 10 DDCE O=C(O)c1cc(O)ccc1NS(=O)(=O)N1C[C@H]2CC[C@H]1C2 274872909 AYFAYSAYVFLTGG-IUCAKERBSA-N 312.347 1.231 10 10 DDCE CN(CCCO)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 281726310 HJSLKRDUEZBFOJ-VMPITWQZSA-N 304.390 1.377 10 10 DDCE COc1ccc(O)c(CNC(=O)Nc2nnc(OC)s2)c1 801748028 FXRLSROEMCLUIL-UHFFFAOYSA-N 310.335 1.583 10 10 DDCE [N-]=[N+]=NCCN[C@@H](C(=O)O)c1sncc1Br 711826871 VHDKNUWALHSVJM-RXMQYKEDSA-N 306.145 1.931 10 10 DDCE OCC1(CO)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 827475311 WWBNGFYSRWJIFI-UHFFFAOYSA-N 306.189 1.876 10 10 DDCE COc1ccc(O)c(CNC(=O)/C=C\c2cncc(O)c2)c1 588410101 SUASFBAOJAIFRR-DJWKRKHSSA-N 300.314 1.831 10 10 DDCE C[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@H](C(=O)O)O1 901911212 LHASRSPPEMFEKN-LVQRLBQTSA-N 304.390 1.940 10 10 DDCE O=C(NCc1cc(Br)ccc1O)N[C@H]1CCNC1 841940035 XOPHXJIWRIJWCV-JTQLQIEISA-N 314.183 1.316 10 10 DDCE CC(C)CC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(N)cc1 841047009 ISKJWQAVOAFTMQ-MRXNPFEDSA-N 307.394 1.511 10 10 DDCE Nc1ccc(CCNC(=O)N2CC[C@]3(CCCNC3)C2)cc1 841955486 DSVZDUXJIGTOPD-KRWDZBQOSA-N 302.422 1.596 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)NC2CCC3(CC2)CC3)cc1 842188872 PNKAYMQGEVEDIG-UHFFFAOYSA-N 315.417 1.767 10 10 DDCE COc1ccc2c(n1)N(C)CCN2C(=O)c1cc(O)cs1 928399510 PGUVBTNJJVXSJX-UHFFFAOYSA-N 305.359 1.954 10 10 DDCE CC[C@@H](O)CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 856214930 GYXGJBOTFRLDHX-OAHLLOKOSA-N 306.406 1.425 10 10 DDCE O=C(CCCN1C(=O)CCC1=O)NCc1c(O)cccc1F 928712627 UUEDNJMQBRTXKT-UHFFFAOYSA-N 308.309 1.077 10 10 DDCE CN1CCN(c2ccc(CN[C@H]3C[C@H](O)C34CCC4)cc2)CC1 850388928 RGCUWZIPGZHTQG-ROUUACIJSA-N 315.461 1.832 10 10 DDCE COc1ccc(N(C)CCN(C)C[C@H]2CC3(CNC3)CO2)cc1 923388716 UARCPWRGYLCZLE-QGZVFWFLSA-N 319.449 1.442 10 10 DDCE CCN1CC[C@@H](N2CCN(c3ccc(OC)cc3)CC2)C1=O 851713347 BUNLRPICBIXNQU-MRXNPFEDSA-N 303.406 1.438 10 10 DDCE CN1CCC2(CC1)CCN(C(=O)c1c(F)ccc(O)c1O)C2 857260223 BKLLWULMNJKNOB-UHFFFAOYSA-N 308.353 1.795 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCCN(C)C)C2)cc1 854299557 PGONYLBLRWOFDP-ZDUSSCGKSA-N 306.410 1.135 10 10 DDCE COc1ccc(CNC(=O)c2c(OC)ccnc2OC)c(O)c1 867956219 OIJWGGZRDDFLQV-UHFFFAOYSA-N 318.329 1.743 10 10 DDCE C[C@@H]1[C@H](O)C[C@H]2CC[C@H]1N2C(=O)/C=C\c1ccc(O)c(O)c1 871112392 YEAPHAICOAPEJC-CXUXPSCSSA-N 303.358 1.871 10 10 DDCE Cc1cn2cc(NC(=O)C(=O)NCc3ccccc3O)ccc2n1 774198877 YRVICXDOMOFYMG-UHFFFAOYSA-N 324.340 1.603 10 10 DDCE COC(=O)[C@]12C[C@H]1CCCN2C(=O)c1ccc(C)c(O)c1O 886345561 FFPAGKVLEPYHRT-HWPZZCPQSA-N 305.330 1.574 10 10 DDCE C[C@H]1CN(C)C(=O)CN1C(=O)c1cc2cc(O)c(O)cc2s1 897503073 TULFOGGAZOHPEV-QMMMGPOBSA-N 320.370 1.615 10 10 DDCE CN1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1=O 896507661 YBCVWTLNGGCKKV-MRVPVSSYSA-N 306.343 1.273 10 10 DDCE COC1CCN(c2ccc(CN(CCO)CCO)cc2)CC1 1307456475 MAOFGZRSKJNFCI-UHFFFAOYSA-N 308.422 1.088 10 10 DDCE COCCN[C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1331650582 VVYVYMRQGNBQNQ-LLVKDONJSA-N 321.381 1.546 10 10 DDCE CC[S@@](=O)(=NC[C@@H](O)COc1ccc(N)cc1)C(C)C 1913893768 XFTIMSYTBDHAGO-XCLFUZPHSA-N 300.424 1.905 10 10 DDCE C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1cc(O)nc(O)c1 1915112890 DSQMDWUYNNFUTI-LBPRGKRZSA-N 316.357 1.906 10 10 DDCE COC1(OC)CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1469167629 UPHNSIIRRRNIIC-UHFFFAOYSA-N 306.322 1.730 10 10 DDCE CCOC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)(C)C 1629339114 QKDFXXQTRSRBKZ-CQSZACIVSA-N 309.362 1.734 10 10 DDCE CC(=O)C[C@@H]1COCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1633887551 FZBHLAIKVVJQPT-CYBMUJFWSA-N 318.333 1.669 10 10 DDCE Cc1cc(C(=O)NCc2cccc(Cl)c2O)ncc1C(N)=O 1647830423 VYMCROUFFJVBTQ-UHFFFAOYSA-N 319.748 1.778 10 10 DDCE C[C@H](Oc1cccc(CO)c1)C(=O)NCc1ccc(O)cc1O 1643104469 ZVSXANRJWVXZCL-NSHDSACASA-N 317.341 1.674 10 10 DDCE COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1646591043 KAOKYIZTVKMIRG-NEPJUHHUSA-N 318.333 1.921 10 10 DDCE COCCCn1cc(C(=O)NCc2c(O)cccc2O)cn1 1597574981 WPZIECJTICAHHG-UHFFFAOYSA-N 305.334 1.261 10 10 DDCE CN(CC(=O)NC1CC1)c1ccc(CN)cc1C(F)(F)F 163703345 UDVVOJQPDPTXSV-UHFFFAOYSA-N 301.312 1.879 10 10 DDCE CNCc1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl 2144172053 VLBIHIZWAIXSFG-TXEJJXNPSA-N 314.838 1.540 10 10 DDCE CCOc1cccc(CN[C@@H](CC)CS(C)(=O)=O)c1O 1967830295 LMBZJXGHMVCTIK-LBPRGKRZSA-N 301.408 1.704 10 10 DDCE COc1ccc(S(=O)(=O)NCc2cc(N)ccc2O)s1 2153499478 IRSJAHRNUAPDKL-UHFFFAOYSA-N 314.388 1.523 10 10 DDCE OCc1ccc(N2CCOC[C@H](CO)C2)cc1Br 2036963463 GSXXCTMKRXQHIQ-JTQLQIEISA-N 316.195 1.387 10 10 DDCE C[C@@H](N)c1ccc(N(C)[C@@H]2COC[C@@H]2O)c(Br)c1 709335007 XBNGPWFAGKJVJL-WQHBLYJGSA-N 315.211 1.665 10 10 DDCE CO[C@@H]1CCC[C@H](NC(=O)c2cnn3c(O)cc(C)nc23)C1 2062417252 ALLZHSBWEQCPFW-WDEREUQCSA-N 304.350 1.431 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC3CCN(C4CC4)CC3)c2n1 2062601280 ZPFMTWIOIKBFIS-UHFFFAOYSA-N 315.377 1.100 10 10 DDCE CCN(C[C@@H]1CCCO1)C(=O)c1cnn2c(O)cc(C)nc12 2064530831 XYKPTSWGXYZOQK-NSHDSACASA-N 304.350 1.384 10 10 DDCE Oc1c(F)cc(Br)cc1CN1CC(C2CNC2)C1 2075883468 FDNJSTBMSHBILH-UHFFFAOYSA-N 315.186 1.945 10 10 DDCE CCCCN1C(=O)NC(=O)C(=Cc2ccc(OC)c(O)c2)C1=O 2297327039 JEMGCBQFCVKHRW-UHFFFAOYSA-N 318.329 1.663 10 10 DDCE CCC1(N)CC(NCc2cnc(SC)s2)(C(=O)O)C1 2349502697 XJLIPXUXAQEMAK-UHFFFAOYSA-N 301.437 1.679 10 10 DDCE CC(=O)c1cc(F)cc(CN2CC[C@@H](N3CCOCC3)C2)c1O 170812335 NQTMIHZTDURHEZ-OAHLLOKOSA-N 322.380 1.640 10 10 DDCE CS(=O)(=O)[C@H](C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)C1CC1 2361143756 XYCADUCLCSLBKV-ONGXEEELSA-N 300.384 1.359 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](N)C[C@H]1c1c(O)cc(O)cc1O 1952457534 RMFMSHUBNCGITD-SCZZXKLOSA-N 310.350 1.813 10 10 DDCE CCS(=O)(=O)CCCOC(=O)COc1ccc(N)cc1 86980139 CJEUUSIBEYUNDJ-UHFFFAOYSA-N 301.364 1.016 10 10 DDCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)CCC(F)(F)F 88832436 ATUBXHPHIWNRFZ-UHFFFAOYSA-N 303.284 1.425 10 10 DDCE C[C@H]1OCC[C@H]1S(=O)(=O)NCc1ccc2c(c1)CCCN2C 135553722 ZHMMZIQWUCNHIH-MLGOLLRUSA-N 324.446 1.666 10 10 DDCE CCNC(=O)CNC(=O)c1c(C)oc(-n2cccc2)c1C#N 141745107 YSBDAXJPFSSLAC-UHFFFAOYSA-N 300.318 1.116 10 10 DDCE CN1C2(CCC2)COC[C@@]1(CO)CNCc1cc(F)ccc1O 529640082 BHMJFWDHNLTRTK-KRWDZBQOSA-N 324.396 1.237 10 10 DDCE COc1ccc(N(C)[C@]2(CN)CCC[C@H]2S(C)(=O)=O)cc1 250216147 DZYPXKDVOFANLD-CABCVRRESA-N 312.435 1.426 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 808506461 LRKQWRZJRXPXMD-SNVBAGLBSA-N 323.732 1.394 10 10 DDCE NC(=O)c1csc(NCc2ccc(N3CCOCC3)cc2)n1 292442884 HUODIIAYOBVJPG-UHFFFAOYSA-N 318.402 1.691 10 10 DDCE Fc1cc(CN2C[C@H]3CC[C@H]2CN3)ccc1N1CCOCC1 817865750 XZPCZLYEIOKFTQ-CABCVRRESA-N 305.397 1.599 10 10 DDCE Nc1ncc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cn1 722213126 NWSDBIBGNLOXTE-UHFFFAOYSA-N 300.727 1.219 10 10 DDCE C[C@@H]1CN(CCO)CCN1C/C=C/c1ccc(N(C)C)cc1 835053029 AEOFAVLCLIHNKP-DWTRPJMMSA-N 303.450 1.764 10 10 DDCE CC(=O)NC1CCC(NC(=O)NCc2c(O)cccc2F)CC1 916061662 LOXGMSFPEQOOKH-UHFFFAOYSA-N 323.368 1.778 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@H](O)C3CCOCC3)ccc21 746181430 BIEYZBIAFXZKIM-QGZVFWFLSA-N 318.417 1.473 10 10 DDCE COC(=O)[C@H]1CNCCCN1C/C=C\c1ccc(N(C)C)cc1 843122668 DIKMDDMTLHFKOT-XQDHMALISA-N 317.433 1.603 10 10 DDCE COC(=O)[C@@H]1[C@H](CNC(=O)c2ccc(C)c(O)c2O)C1(F)F 918275501 AARNVIOBPQIVLC-IUCAKERBSA-N 315.272 1.190 10 10 DDCE COc1ccc(N2CC[C@H](N3C(=O)[C@@H](C)N(C)C3=O)C2)cc1 849358315 VOGCNDDBKSIQBL-YPMHNXCESA-N 303.362 1.556 10 10 DDCE Cc1cc(C(=O)N2CC(C)(C(N)=O)C2)c(C)n1-c1ccccn1 843939724 OYQMYOCGEQGJEM-UHFFFAOYSA-N 312.373 1.437 10 10 DDCE CCn1cc(S(=O)(=O)NCc2c(O)cccc2F)nc1C 921452654 VISDNKSWHCQHKO-UHFFFAOYSA-N 313.354 1.535 10 10 DDCE COC[C@H]1C[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)C1 925089824 HEUWDGVGMJZLHN-BJHJDKERSA-N 304.346 1.581 10 10 DDCE COC(=O)CCNC(=O)CCN[C@H](C)c1cccc(OC)c1O 858542472 WLJBOPPUIYUHHB-LLVKDONJSA-N 324.377 1.121 10 10 DDCE COc1ccc(N(CC(=O)O)CC(=O)NCC[C@@H](C)F)cc1 853008305 NXCJEWCIRARTTF-LLVKDONJSA-N 312.341 1.451 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(OC)ncn1 935943604 AXEAXRGGARIMEL-UHFFFAOYSA-N 308.334 1.607 10 10 DDCE COc1cc(O)c(CNC2(CCO)CCOCC2)cc1OC 775760953 ZPZRGVGNXRNNCW-UHFFFAOYSA-N 311.378 1.431 10 10 DDCE COC(=O)c1cc(O)ccc1NS(=O)(=O)N1CCC[C@H]1C 775287129 KAQIRUOPYUNERQ-SECBINFHSA-N 314.363 1.320 10 10 DDCE O=C(/C=C/c1ccncn1)OCC(=O)c1ccc(O)c(O)c1 784686352 HBQCOHCXZLJILR-DUXPYHPUSA-N 300.270 1.327 10 10 DDCE C[C@@H](Cc1cnn(C)c1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1138153029 WJYCMEORXXIFGV-NWDGAFQWSA-N 317.389 1.757 10 10 DDCE NC[C@H]1CN(Cc2ccc(Br)cc2O)CCCO1 691386484 KOVFALGEDOFETC-LBPRGKRZSA-N 315.211 1.704 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C)CCC(=O)NC2)c1 798980642 WKSSVEHDGZTFOI-QLJPJBMISA-N 306.362 1.494 10 10 DDCE C[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCS1 1330475463 CDFHJRQIOWLSFU-NSHDSACASA-N 320.414 1.588 10 10 DDCE O=C(NCCCSc1nccs1)c1ccnc2[nH]nnc12 1464903349 UPMUDMVEXOCVNT-UHFFFAOYSA-N 320.403 1.722 10 10 DDCE CNCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1Br 2136612006 YUJMXVFQEOBNCJ-PJXYFTJBSA-N 324.222 1.336 10 10 DDCE Cc1cccn2cc(CNC(=O)Cc3ccc(O)c(O)c3)nc12 1627111936 UERXWXRSCQPLLU-UHFFFAOYSA-N 311.341 1.913 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1cnc2n1CCOC2 1627073517 QQANJJVBIZUDQG-UHFFFAOYSA-N 324.340 1.597 10 10 DDCE COc1ccc(CNCCN(C)C(=O)CC2(O)CCC2)cc1C 1714705295 CXBWOUMOCVROGE-UHFFFAOYSA-N 320.433 1.857 10 10 DDCE O=C(/C=C\[C@H]1CCOC1)NCc1ccc(N2CCOCC2)cc1 1625607366 GPVGUXRKPJHZIB-UYZDIKGJSA-N 316.401 1.732 10 10 DDCE O=C(CNC(=O)c1ccc(F)cc1)NCc1ccc(O)cc1O 1557084501 BQEVAONKYHUSKF-UHFFFAOYSA-N 318.304 1.283 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)c1nc2ncccn2n1 1639968459 HGHKPJLHQVPEIR-UHFFFAOYSA-N 303.709 1.413 10 10 DDCE CN1CCS/C1=C/C=C1/SC(=S)N(CC(=O)O)C1=O 4395552 AMSAICQWZZDCEM-ZESFLVPWSA-N 316.429 1.335 10 10 DDCE CC(=O)c1cc(Cl)cc(CN(C)C2CS(=O)(=O)C2)c1O 931238952 BTIIWQRNCUESHH-UHFFFAOYSA-N 317.794 1.477 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CN(CCN=[N+]=[N-])CCN2C1=O 1982246132 QILYBBHBTDXVGT-QWRGUYRKSA-N 324.385 1.107 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NCc2ccc(O)cc2O)C1 1985826753 CYFUIIYAVFLAGT-JSGCOSHPSA-N 324.377 1.168 10 10 DDCE CS(=O)(=O)N1CC[C@H](CN2CCC[C@H](N=[N+]=[N-])CC2)C1 2155559010 ULEBNIPLLJBVEJ-NEPJUHHUSA-N 301.416 1.433 10 10 DDCE OCc1ccc(N2CCCC2(CO)CO)cc1Br 2029382481 CPUQODRHTXKAPW-UHFFFAOYSA-N 316.195 1.265 10 10 DDCE NCc1ccc(N2C[C@H](O)[C@H]3COC[C@H]32)c(Br)c1 2040601514 WNCPWDKRHIACER-BIMULSAOSA-N 313.195 1.104 10 10 DDCE COc1ccc([C@H](C)N[C@H](C)[C@@H](C)S(C)(=O)=O)c(O)c1 2170596111 DECLDXIRMGSBKU-OUAUKWLOSA-N 301.408 1.873 10 10 DDCE O=C1Nc2cc(N3CC[C@@H](F)C3)c(Br)cc2[C@@H]1O 701676234 XQUUSPRFUYTJTH-KBUNVGBDSA-N 315.142 1.983 10 10 DDCE NCc1cc(F)c(N2CCO[C@H]3COCC[C@H]32)cc1Cl 2177391316 PUWRGGYGRYAVFO-OCCSQVGLSA-N 300.761 1.932 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccnn1[C@H]1CC1(F)F 2065058504 KCOARRWIFUWPBJ-LBPRGKRZSA-N 309.272 1.804 10 10 DDCE CC(C)(C)OC(=O)N1CC(F)(C(=O)NCc2ccccc2O)C1 1178553190 BCLRNJXMWYZKTE-UHFFFAOYSA-N 324.352 1.967 10 10 DDCE CNCc1ccc(N2CCC2(CO)CO)c(Br)c1 2073922097 SHBYHXZCLDFPQZ-UHFFFAOYSA-N 315.211 1.102 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H](C)CCC(=O)O)s1 2269094500 SNQFBDYSDLRCDB-ZETCQYMHSA-N 303.409 1.918 10 10 DDCE CO[C@@H](C)CCS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236168774 SDXXMTLLLMVWLP-QMMMGPOBSA-N 304.324 1.467 10 10 DDCE O=C1NC(=S)SC1=C1C(=O)N2CCCc3cccc1c32 2294073335 TWYYRZTVLSRMHT-UHFFFAOYSA-N 302.380 1.838 10 10 DDCE Cc1cc(N2CCSC[C@@H]2S(C)(=O)=O)ccc1[C@@H](C)O 2285173050 MZANSYUERNVMDF-RISCZKNCSA-N 315.460 1.972 10 10 DDCE Cc1ccc(CNC(=O)C2(CN)CC2)c(O)c1Br 2327593746 GUOORFBUKGVCEO-UHFFFAOYSA-N 313.195 1.818 10 10 DDCE C[C@H](Cn1cncn1)NC(=O)NCc1ccc(N(C)C)c(F)c1 102010455 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CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(C(N)=O)cn1C 151977010 INFPVERCHKOOIR-UHFFFAOYSA-N 314.389 1.462 10 10 DDCE Cn1cc(N)c(S(=O)(=O)Nc2ccc(O)cc2Cl)n1 1876527520 PRFBLBXOXOFSLK-UHFFFAOYSA-N 302.743 1.162 10 10 DDCE COc1cc(Cl)cc(CNCCN2CCOC2=O)c1O 1963421247 MHCGPSKYYMRLCE-UHFFFAOYSA-N 300.742 1.596 10 10 DDCE C[C@]1(c2cc(I)ccc2O)CC(=O)N1 1951874202 XYWRHROYTKVTIL-SNVBAGLBSA-N 303.099 1.732 10 10 DDCE CN(CCN(C)S(C)(=O)=O)Cc1c(O)cccc1Cl 1971683558 ZHJPSVADAVZOSL-UHFFFAOYSA-N 306.815 1.369 10 10 DDCE C[C@@H](O)c1ccc(N2CCC[C@H]2CS(C)(=O)=O)c(F)c1 2151276257 RXBZLFXRPXHVOV-PWSUYJOCSA-N 301.383 1.892 10 10 DDCE Oc1cc(Br)ccc1CN1C2COCC1COC2 691677674 DXFXGSOLOGMMKZ-UHFFFAOYSA-N 314.179 1.754 10 10 DDCE CO[C@H]1C[C@@H](NC(=O)c2cnn3c(O)cc(C)nc23)C12CCC2 2062547765 RUKPVWBXTRJQOK-NEPJUHHUSA-N 316.361 1.431 10 10 DDCE CCOC(CNS(=O)(=O)Cc1ccc(N)cc1)OCC 2191772850 VTCVOISOQLVDII-UHFFFAOYSA-N 302.396 1.087 10 10 DDCE Cc1cccc(CNS(=O)(=O)c2ccc(CO)s2)c1O 2204624385 LZEHCFJEQBSVSE-UHFFFAOYSA-N 313.400 1.733 10 10 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1182311850 YOWOFGLEBOUTIW-JTQLQIEISA-N 321.304 1.407 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2ccncn2)cc1C 1265840910 DFQHKKNUYXBEFA-ZDUSSCGKSA-N 314.389 1.702 10 10 DDCE Cc1ccc(C(=O)NCc2cnn3c2CCCC3)c(O)c1O 1520758877 PWOFUVUPCDTMPD-UHFFFAOYSA-N 301.346 1.869 10 10 DDCE C[C@H]1OCC[C@@]12CN(C(=O)Cc1ccc(O)c(O)c1)CCO2 1634747226 WTXQERROSPCPKW-BDJLRTHQSA-N 307.346 1.047 10 10 DDCE CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(C)=O 1759339590 HVEJLDVPWJNZFU-LLVKDONJSA-N 305.338 1.494 10 10 DDCE CN(c1ccc(CN)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 163681043 OLQOUJUDROXXDL-SNVBAGLBSA-N 322.352 1.787 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)c(Cl)c1 2144167070 NMMYYYMHKSPWJP-USWWRNFRSA-N 314.838 1.841 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@@H]2O 1974155795 BYHTXVBVBYWHDX-QJNOJXSDSA-N 318.200 1.919 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NCCc1ccc(O)c(O)c1 2042455700 FSMGGLPUXCKRGT-UHFFFAOYSA-N 315.325 1.881 10 10 DDCE C[C@H](N)c1ccc(N(CCS(C)(=O)=O)C2CC2)c(F)c1 2170159839 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10 10 DDCE Cc1ccc([C@@H](C)NCC(C)(C)NS(C)(=O)=O)c(O)c1 109040926 YMSIZBQTURWKTQ-LLVKDONJSA-N 300.424 1.679 10 10 DDCE CN1C[C@H]2[C@@H](NC(=O)N(C)Cc3ccccc3O)CC[C@H]2C1 1519930538 KTIWPHBDGLFPOI-CFVMTHIKSA-N 303.406 1.874 10 10 DDCE CNC(=O)[C@@H](C)N(C)c1cc(Br)c(CN)cc1F 1916795625 RRKAPYJYVYLBCU-SSDOTTSWSA-N 318.190 1.618 10 10 DDCE C[C@@H](NC(=O)N(C)Cc1nc[nH]n1)c1ccc(N(C)C)cc1 1469853902 OYBQSZKQYCCLMN-LLVKDONJSA-N 302.382 1.773 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H](O)C(C)(C)O 1463804445 FUAYJOBWMJIALK-HNNXBMFYSA-N 306.406 1.377 10 10 DDCE NCc1ccc(N2CCC[C@@H]3C(=O)NC[C@@H]32)cc1Br 228157220 OPTVXUSTZOFJKS-AAEUAGOBSA-N 324.222 1.623 10 10 DDCE CC(C)OC(=O)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1623479885 NUAHOALGDXXMHQ-UHFFFAOYSA-N 306.322 1.921 10 10 DDCE C[C@H](NCCF)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1570655572 OIHBMXHZLTXBNL-VHSXEESVSA-N 309.345 1.915 10 10 DDCE O=C(NCc1cccc(Cl)c1O)[C@H]1CCc2nnc(O)n2C1 1647830155 LHEBRWLMBJDBCP-VIFPVBQESA-N 322.752 1.222 10 10 DDCE 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DDCE COc1cc(Cl)cc(CN2CC[C@@H](OC)C[C@@H]2CN)c1O 229104899 WXSOGRSSJIDVAG-CHWSQXEVSA-N 314.813 1.992 10 10 DDCE CCCNC(=O)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 243429556 MYKFTHURALYLSO-UHFFFAOYSA-N 319.405 1.260 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@@H]2CCCC23OCCO3)cc1 806317643 LPLFQTCDRUYMKJ-HNNXBMFYSA-N 304.390 1.912 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCc2cnn(C)n2)c1 805997470 ZKKFKOPOGJAXDS-SECBINFHSA-N 305.338 1.090 10 10 DDCE C[C@](O)(C(=O)NCc1cc(Br)ccc1O)C1CC1 805153662 FSBNUKSBUVYABO-CYBMUJFWSA-N 314.179 1.932 10 10 DDCE NS(=O)(=O)C1(CNCc2cccc(Cl)c2O)CCC1 721522629 RCQWEFAKSXIPMS-UHFFFAOYSA-N 304.799 1.346 10 10 DDCE C[C@H](NC(=O)[C@]1(C)CCCS1(=O)=O)c1ccc(N(C)C)cc1 907492457 KQZJNZWMSOVRJW-LRDDRELGSA-N 324.446 1.897 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2NCCCC2(C)C)cc1 841846201 KVNPZIIEHQIABF-CVEARBPZSA-N 318.465 1.647 10 10 DDCE O=C(NCc1ccc(N2CCCC2)cc1)[C@]12CNC[C@H]1COC2 846673415 SWLPADWVYIOPLZ-YJBOKZPZSA-N 315.417 1.139 10 10 DDCE CCC[C@H]1NC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O 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1.546 10 10 DDCE CO[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)[C@@H]1CCOC1 868759861 OZOBAAVQVCWABS-JMSVASOKSA-N 308.378 1.804 10 10 DDCE Cc1cc(C(=O)NC[C@H](O)[C@H](C)O)c(C)n1-c1ccc(F)cc1 871122778 OHMHOJDHVBXVHU-LRDDRELGSA-N 320.364 1.705 10 10 DDCE COC(=O)[C@]1(O)CCN(C/C=C/c2ccc(N(C)C)cc2)C1 895701509 AEBCFAHTRDGSPL-BDUNBXCCSA-N 304.390 1.376 10 10 DDCE CC(C)NC(=O)CNC(=O)c1cc2cc(O)c(O)cc2s1 895487311 OKHSDKDJFSAEQO-UHFFFAOYSA-N 308.359 1.567 10 10 DDCE CN[C@H](c1ccccc1O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C 1959921858 YZYBLZIWDRXDAD-LERXQTSPSA-N 310.394 1.927 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CCO[C@H]4C[C@H]43)c(Br)cc21 2115157048 XLXKYDALKPFOKU-WOPDTQHZSA-N 324.178 1.379 10 10 DDCE COc1ccc(CN[C@@H](C)CCNC(=O)c2nc[nH]n2)cc1C 1274803773 IBGKQIDYUFUBLD-LBPRGKRZSA-N 317.393 1.420 10 10 DDCE CC(C)N1CCC(N(C)C(=O)Cc2ccc(O)c(O)c2)CC1 1440880844 MXKRKMUWXPTHFW-UHFFFAOYSA-N 306.406 1.972 10 10 DDCE Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(O)cc2O)n1 1451750704 GMWKQIMOYOZGKB-UHFFFAOYSA-N 303.274 1.639 10 10 DDCE 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1857868644 UJQFBHQNIGXMHC-GHMZBOCLSA-N 312.797 1.771 10 10 DDCE CN(Cc1ccccc1O)c1nc(NN)ncc1Br 1877517131 DWSXLQDWEXSFSH-UHFFFAOYSA-N 324.182 1.867 10 10 DDCE O=S(=O)(NCCCNCc1cc(F)ccc1O)C1CC1 1964060369 DKHMDWWEPWPUGX-UHFFFAOYSA-N 302.371 1.093 10 10 DDCE Cc1nnn(C)c1CNCc1c(O)cccc1Br 1973553630 HYXKPXNZYMOBPX-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE CN1CCc2cc([C@H](N)[C@H](O)CNC(=O)OC(C)(C)C)ccc21 1977944662 JAOONDVXSHHLDE-CABCVRRESA-N 321.421 1.564 10 10 DDCE O=C(O)[C@@H]1[C@H]2OCCN(Cc3cc(Cl)cc(Cl)c3O)[C@H]12 2149278156 BCLYCMXUKPKBJW-HOSYDEDBSA-N 318.156 1.983 10 10 DDCE C[C@](NCCN=[N+]=[N-])(C(N)=O)c1ccnn1Cc1ccccc1 1994375706 YSSUWIPCNYEJRB-OAHLLOKOSA-N 313.365 1.532 10 10 DDCE CN(Cc1cnnn1C)c1ccc(CO)c(Br)c1 2038833549 VZZSLPOCSOAKDK-UHFFFAOYSA-N 311.183 1.706 10 10 DDCE CCCSCCNS(=O)(=O)CCOc1ccc(N)cc1 397287832 VIPVCVRSGVHTQP-UHFFFAOYSA-N 318.464 1.710 10 10 DDCE C[C@H]1CNC(=O)CN1c1ccc([C@@H](C)N)cc1Br 2060840372 MYZAXYJRHXNXPD-DTWKUNHWSA-N 312.211 1.794 10 10 DDCE COCCCCCCNS(=O)(=O)Cc1ccc(N)cc1 2237085393 LPDMHPIKQNWRBW-UHFFFAOYSA-N 300.424 1.895 10 10 DDCE Cc1cc(O)cc(C)c1NS(=O)(=O)N1CCC[C@H]1CO 2239647075 RGMSQWRXDRAQKF-NSHDSACASA-N 300.380 1.122 10 10 DDCE COCCNC[C@@H](C)NCc1cc(Br)ccc1O 2256019095 WBEJKANDMMLARK-SNVBAGLBSA-N 317.227 1.869 10 10 DDCE Oc1ccc(CNc2cnncc2Br)c(O)c1O 2264152703 AEAFECUFXAJAPM-UHFFFAOYSA-N 312.123 1.968 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2CC[C@@H](C(=O)O)C2)s1 2284501849 VPEOTTXNVURFHP-HTQZYQBOSA-N 315.420 1.918 10 10 DDCE CCC[C@]1(C)C(=O)NCCN1C(=O)C=Cc1ccc(O)c(O)c1 2310809046 XGDADYCTFBFJDB-QGZVFWFLSA-N 318.373 1.628 10 10 DDCE CS(=O)(=O)[C@H]1CCC[C@@]1(Sc1nccs1)C(=O)O 2326889046 IXDIRLYWKVKZKN-XVKPBYJWSA-N 307.418 1.656 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCCN(C)C2)s1 2347441220 RSSBHWJOOIKLQJ-LBPRGKRZSA-N 301.437 1.504 10 10 DDCE COc1ccc(O)c([C@@H](C)NC[C@H](O)CN2CCCC2=O)c1 182391175 AHHOFCZNCPVKMC-NEPJUHHUSA-N 308.378 1.035 10 10 DDCE COC[C@H](C)CNC(=O)N1CCN(c2ccc(OC)cc2)CC1 170891695 OLHXTPFKHKLLGT-CQSZACIVSA-N 321.421 1.809 10 10 DDCE C[C@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cc([N+](=O)[O-])ccc1O 172437196 MNLRYOAYUNZOSG-VHSXEESVSA-N 314.363 1.308 10 10 DDCE COc1ccc(CNS(=O)(=O)Cc2ccc(N)cc2)cn1 62069361 DIONZOHJCQSDFO-UHFFFAOYSA-N 307.375 1.292 10 10 DDCE CO[C@H](C)CCS(=O)(=O)CCCOc1ccc(N)cc1 2362079829 HRJZAOHHQFXPLA-GFCCVEGCSA-N 301.408 1.878 10 10 DDCE CCCCN(CCO)S(=O)(=O)CCOc1ccc(N)cc1 70490697 SCHJDNIJMDBPIB-UHFFFAOYSA-N 316.423 1.072 10 10 DDCE COc1ccc(N2CCN(C(=O)c3[nH]nc(C)c3C)CC2)cc1 82320233 FMTUHIZANNNIKN-UHFFFAOYSA-N 314.389 1.998 10 10 DDCE C[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)CCS1(=O)=O 191322147 NFZCPLKMFBLWBI-GFCCVEGCSA-N 309.431 1.890 10 10 DDCE COc1ccc(CN2CCCN(c3cccnn3)CC2)c(O)c1 93151020 NTTZMAJFEHZRSF-UHFFFAOYSA-N 314.389 1.903 10 10 DDCE CCN(CC)c1ccc([C@H]2NC(=O)[C@H]3COCCN23)cc1F 93885457 WYXWVSBYRKBVON-CABCVRRESA-N 307.369 1.501 10 10 DDCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)C2)c(Br)c1 233548215 YWIOUZDTUKDUFJ-STQMWFEESA-N 315.211 1.100 10 10 DDCE CN(C)C1(CN(C)S(=O)(=O)Cc2ccc(N)cc2)CCC1 97926210 YKURXHPYXNGYPA-UHFFFAOYSA-N 311.451 1.515 10 10 DDCE COc1ccc(N2CCN(c3nccn(C)c3=O)CC2)cc1 266124128 AVGVFBARPFVBKO-UHFFFAOYSA-N 300.362 1.116 10 10 DDCE CC(=O)C(=O)COC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C 808496121 AZZKMSFGUFQXKS-UHFFFAOYSA-N 309.318 1.512 10 10 DDCE COC[C@H](O)[C@@H](N)c1cc(Br)cc(Cl)c1O 713884297 YUYVZSDOCJAYQU-IUCAKERBSA-N 310.575 1.815 10 10 DDCE COc1c(O)cccc1/C=C1/SC(N2CCOCC2)=NC1=O 810208370 UQEHSHJEENQMCU-FMIVXFBMSA-N 320.370 1.703 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1ccc(Br)cc1O 814480143 NPKPPYOYNBIMKB-UHFFFAOYSA-N 315.119 1.399 10 10 DDCE O=S(=O)(NCc1ccccc1O)c1ccnn1C1CCC1 914140562 JTHACAVBSCSCJY-UHFFFAOYSA-N 307.375 1.792 10 10 DDCE CCc1cccc(CN2CCN(CCN(C)C)C(=O)C2)c1O 848920220 ZJLPNSGSDAIJTM-UHFFFAOYSA-N 305.422 1.160 10 10 DDCE CC1(C)CN(Cc2cc3c(cc2O)OCO3)[C@@H]2COC[C@H]2O1 846118117 LTVLUVPEWFMTEN-IAQYHMDHSA-N 307.346 1.499 10 10 DDCE CC1(C)CC(=O)NCCN1C(=O)/C=C\c1ccc(O)c(O)c1 913063339 JXCSAARZVVJUGR-XQRVVYSFSA-N 304.346 1.238 10 10 DDCE COC(=O)[C@H](NCc1ccc2c(c1)CCO2)c1ccnn1C 843430404 TXNNYYUCLKJFIJ-OAHLLOKOSA-N 301.346 1.359 10 10 DDCE C[C@@H](CN(C)CCCN(C)C)NCc1cc2c(cc1O)OCO2 850353830 NKPQHUFDDDBWHT-ZDUSSCGKSA-N 323.437 1.483 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)NC[C@@H]2CCC[C@H]3C[C@@H]32)cc1 851687593 FUYPRFIQNAAGSG-DZKIICNBSA-N 315.417 1.480 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=O)CC3(N)CC3)C2)cc1 852892098 ASUISFAOMVXHGE-ZDUSSCGKSA-N 303.406 1.519 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@](C)(O)C3)C2)cc1 854299164 MNWCSODPNOXATM-CXAGYDPISA-N 319.405 1.440 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C(C)(C)O)C2)cc1 854299753 KXVOVLAHJMBQRX-STQMWFEESA-N 321.421 1.733 10 10 DDCE O=C(NCC[C@]1(O)CCCOC1)NCc1c(O)cccc1F 923088295 GLQZFLSPHYPGOW-OAHLLOKOSA-N 312.341 1.262 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cc(C)n(C)n3)C2)cc1 855230874 FWIZBZXWAZPITE-ZDUSSCGKSA-N 314.389 1.746 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@@]2(CCO)CCOC2)c1 756655497 PVIKNQUAYXNIQH-SJKOYZFVSA-N 323.389 1.619 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ncc[nH]3)no2)c1 762121584 JDOUEFLYYUXITM-UHFFFAOYSA-N 321.318 1.204 10 10 DDCE O=C(c1cc(O)cs1)N1CCC(N2CCCOCC2)CC1 861986261 KQHSGRYNNWSLFP-UHFFFAOYSA-N 310.419 1.781 10 10 DDCE CN(Cc1cc[nH]n1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 761894319 IUAWAGZGNZCZCQ-UHFFFAOYSA-N 303.278 1.285 10 10 DDCE COc1cc(C)cc(CN[C@@H]2CC(=O)N(CC3CC3)C2)c1O 895718194 WANWFYDTLIVXBE-CQSZACIVSA-N 304.390 1.810 10 10 DDCE O=[N+]([O-])c1cc(Cl)cc(CN2CCCn3nncc3C2)c1O 895757119 QWXBAYNJGKXEJK-UHFFFAOYSA-N 323.740 1.951 10 10 DDCE C[C@H](N)c1ccc(N2CCC[C@H]2C(N)=O)cc1Br 701653950 DPYVMYPIOLYGEM-UFBFGSQYSA-N 312.211 1.923 10 10 DDCE C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cc2cc(O)c(O)cc2s1 897016261 ZNRXOYWNRJAVIG-PSASIEDQSA-N 323.370 1.534 10 10 DDCE CSC1CC(NS(=O)(=O)CCOc2ccc(N)cc2)C1 707083933 LIFUDHVQBBNWBL-UHFFFAOYSA-N 316.448 1.461 10 10 DDCE Cn1cc(C(=O)NCCc2ccc(N)cc2)nc1Br 698399512 OHMLVAFRKKPMGQ-UHFFFAOYSA-N 323.194 1.737 10 10 DDCE C[C@H](NC(=O)NC[C@@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 1226647264 SIHAPENYONJMJB-RYUDHWBXSA-N 304.394 1.249 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCc1cc(O)ccc1O 1176755041 LDWCPBGPZQWCTK-GFCCVEGCSA-N 322.361 1.723 10 10 DDCE CCc1nc2c(C(=O)NCc3cccc(O)c3O)ccnc2[nH]1 1176576625 QEWVWOFXCGXZQW-UHFFFAOYSA-N 312.329 1.862 10 10 DDCE CC(=O)N1CCN(c2ccc(CNC[C@H](O)C3CC3)cc2)CC1 1335449909 VIUHKRGSUPTMQF-SFHVURJKSA-N 317.433 1.216 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H]2CNCCO)cc1 1267971685 BQWIMWGXYCDRAP-CYBMUJFWSA-N 319.365 1.036 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N2CC3CC2(C)C3)cc1 1347412094 XYESUWAMGINANS-UHFFFAOYSA-N 301.390 1.380 10 10 DDCE Nc1nnc(C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)o1 1469741128 UEFTYZJEYZPQMF-UHFFFAOYSA-N 318.333 1.012 10 10 DDCE COCCCNCc1ccc(N2CCN(C)CC2)c(OC)c1 212673895 OLVPKGTWWLWPMN-UHFFFAOYSA-N 307.438 1.573 10 10 DDCE CN(C/C=C\C(=O)NCc1c(O)cccc1O)CC(F)(F)F 1472063081 BICFDEPWUPZREP-UTCJRWHESA-N 318.295 1.764 10 10 DDCE CCOC(=O)c1[nH]nc(NC(=O)c2cccc(O)c2O)c1C 1558562837 NPYVKPYGKUCIJU-UHFFFAOYSA-N 305.290 1.558 10 10 DDCE Cc1ccc(CN(CCO)C(=O)Cc2ccc(O)c(O)c2)cc1 1566775753 BSXKUFIMRNDCOW-UHFFFAOYSA-N 315.369 1.970 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc(-n2ccnn2)cc1 1637125906 GRWCAUOWTCWYII-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CN(C[C@@H](O)c1cccnc1)C(=O)/C=C/c1ccc(O)c(O)c1 1647562934 WEEXCYCRJGYUPA-BIENSFFJSA-N 314.341 1.698 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1n[nH]cc1C(F)(F)F 1643104348 VENAKMQJZMBHQW-UHFFFAOYSA-N 301.224 1.770 10 10 DDCE CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1c(O)ccc2ccccc12 1652709081 UYKPWLZLKIWFGZ-ACJLOTCBSA-N 314.385 1.617 10 10 DDCE CC(=O)N[C@H](C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 1774084020 IZHKPHVTWRNKPC-SNVBAGLBSA-N 319.365 1.884 10 10 DDCE CC[C@H]1SC(=S)N(CCCC(=O)N2CCOCC2)C1=O 11636379 IRHKJUJBWUTVLC-SNVBAGLBSA-N 316.448 1.264 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NCc1cccc(O)c1O 1937555115 ZRSQERJVJMITIE-NWDGAFQWSA-N 324.377 1.480 10 10 DDCE C[C@H](NC(=O)c1nnn(-c2ccc(N)cc2)n1)c1ccccc1 1857879143 VVMKAOKXFCCGGM-NSHDSACASA-N 308.345 1.736 10 10 DDCE CCO[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)[C@H]1OC 892667926 DMNQIASOEPEVOF-KZNAEPCWSA-N 320.433 1.805 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)[C@H](C)ONC(=O)OC(C)(C)C 1887716617 AOKVYCCQWWWKEV-VIFPVBQESA-N 301.347 1.990 10 10 DDCE CCO[C@@H]1C[C@@H](N)[C@H]1Nc1c(N)cccc1Br 2016954711 HHXYIARNEXGTLP-CKYFFXLPSA-N 300.200 1.948 10 10 DDCE CC[C@@H](N)Cc1cnc(Sc2nnnn2CCOC)s1 2155361975 XVVDAEPUJFYWFK-MRVPVSSYSA-N 314.440 1.207 10 10 DDCE C[C@@H]1SCC[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 313328026 KVHLNOSXFMODGF-GWCFXTLKSA-N 316.448 1.461 10 10 DDCE O=C(O)c1c[nH]nc1S(=O)(=O)Nc1ccc(O)cc1Cl 710411412 SEOGAPFHPAVVBI-UHFFFAOYSA-N 317.710 1.268 10 10 DDCE C[C@@H](C(N)=O)N(C)c1cc(Br)c(CN)cc1F 711185586 GXBWJPOCZWYROU-LURJTMIESA-N 304.163 1.357 10 10 DDCE C[C@H](NCc1cc(Br)cc(F)c1O)[C@@H](O)CO 715716560 GVTISRDTMIABGS-WKEGUHRASA-N 308.147 1.125 10 10 DDCE NCc1cc(F)c(N2C[C@H]3C[C@H](O)[C@H](O)[C@H]2C3)cc1Cl 2177388413 PMRDIJCZYJJVPF-ARFBSJSSSA-N 300.761 1.258 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](O)C12CCCCC2 2064513701 TUHFUSHGDWBFAV-HNNXBMFYSA-N 305.374 1.936 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2CCOC[C@H]2CO)c1O 2193251993 DUGHLIBTCPMYCG-ZYHUDNBSSA-N 301.770 1.541 10 10 DDCE CCN[C@H](c1ccccc1O)c1nn(C)nc1Br 2048804895 LTWFULACIOYUAG-SNVBAGLBSA-N 311.183 1.982 10 10 DDCE CN1C[C@@H](N(C)c2ccc(CO)c(Br)c2)CC1=O 2068209964 APNBFXMCYCBEAS-NSHDSACASA-N 313.195 1.608 10 10 DDCE CN(c1ccc(CN)c(Cl)c1)[C@H]1CS(=O)(=O)C1(C)C 2097550167 VZUJNMBKLNDNHK-LBPRGKRZSA-N 302.827 1.811 10 10 DDCE CO[C@H](CSc1ncc(C(=N)NO)s1)[C@@H]1CCOC1 2278780087 VUVRULUNHWULPD-HTQZYQBOSA-N 303.409 1.591 10 10 DDCE C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C=Cc1ccc(O)c(O)c1 2307987635 ADZYILPFXWIJNB-GXTWGEPZSA-N 304.390 1.910 10 10 DDCE Cc1ccc(CN2CC(C)(C(N)=O)C2)c(O)c1Br 2327603697 RZVRKPMRDVOKAY-UHFFFAOYSA-N 313.195 1.770 10 10 DDCE Cc1ccc(CNC(=O)Cn2cccn2)c(O)c1Br 2352931675 BVEGJTPKMPXIGN-UHFFFAOYSA-N 324.178 1.976 10 10 DDCE O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCC[C@H]1O 172631818 BHPIJYOVEJSFOV-JKSUJKDBSA-N 301.390 1.775 10 10 DDCE Cc1nc(CNC(=O)Cc2ccc(N)cc2)sc1C(=O)O 110789155 WVYFQVINDYBQSY-UHFFFAOYSA-N 305.359 1.591 10 10 DDCE CO[C@@H]1C[C@@H](CO)N(c2ccc(CN)cc2Br)C1 311116588 NQCWGZJTXHTQTG-WDEREUQCSA-N 315.211 1.494 10 10 DDCE COc1cc(Cl)c(N2C[C@H](OC)C[C@@H]2CO)c(OC)c1 2368109808 CMJDNSSZZYOWTP-MWLCHTKSSA-N 301.770 1.943 10 10 DDCE O=C(O)c1cc(O)ccc1NS(=O)(=O)N1CCCCCC1 48847220 CBEHTLDRRLWMQU-UHFFFAOYSA-N 314.363 1.623 10 10 DDCE CCCNC(=O)CCN1CCN(c2ccc(OC)cc2)CC1 243960950 SAOHFJATFUGHLI-UHFFFAOYSA-N 305.422 1.734 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCO[C@@]3(CCOC3)C2)c1O 278505806 OWQZKZPSQLTXKG-HNNXBMFYSA-N 324.333 1.300 10 10 DDCE COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(Cl)c(F)cc1O 294652465 KWQQOJPBXDYUOE-LDYMZIIASA-N 303.717 1.293 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCO[C@H](C(F)F)C2)cc1 800908135 MFEJCJFQXYSPMR-ZDUSSCGKSA-N 313.348 1.928 10 10 DDCE CCn1nnc(C)c1C(=O)NCCCSc1nccs1 823297888 KZBINSLTSAAEOY-UHFFFAOYSA-N 311.436 1.975 10 10 DDCE C[C@H]1CN([C@@H](C)CNCc2cc3c(cc2O)OCO3)C[C@@H](C)O1 848563555 UZFZVZHJQILNAN-RWMBFGLXSA-N 322.405 1.708 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)C1(N2CCOCC2)CCC1 846474334 USYILEFVANCDJH-UHFFFAOYSA-N 324.808 1.917 10 10 DDCE CN1CCCc2cc(CN3C(=O)N[C@@H](CCF)C3=O)ccc21 844723648 ZZAPASCFOMUXKB-ZDUSSCGKSA-N 305.353 1.849 10 10 DDCE CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)n1cccn1 912624587 VFZKDFFOUSJMHG-FNORWQNLSA-N 301.346 1.859 10 10 DDCE COC(=O)[C@@H]1C[C@H](O)CN(C/C=C\c2ccc(N(C)C)cc2)C1 843433739 IZTUFWACQIWMHS-BUZJKLBMSA-N 318.417 1.622 10 10 DDCE CCc1cccc(CN(C)CCN2CCCS2(=O)=O)c1O 848888910 CWZRHXAWTXGYSZ-UHFFFAOYSA-N 312.435 1.422 10 10 DDCE CCCC(=O)N1CCC[C@@H]1C(=O)NCc1c(O)cccc1F 928711545 IOEHXAWQIHOSQQ-CYBMUJFWSA-N 308.353 1.939 10 10 DDCE CN1CCc2ccc(S(=O)(=O)NCc3ccccc3O)cc21 751151039 PGSJGNRFNKBXQS-UHFFFAOYSA-N 318.398 1.863 10 10 DDCE Cc1ccc(C(=O)OC[C@@H](C)CS(C)(=O)=O)c(O)c1O 758010373 SWCGAFJCLBSUAC-MRVPVSSYSA-N 302.348 1.244 10 10 DDCE COc1ccc(N2CC[C@H](N[C@H](C)[C@H]3[C@H]4CN[C@H]3C4)C2)cc1 925713104 IWKAFQBDYUOOCW-ZVPUSRDESA-N 301.434 1.860 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCCNC3)C2)cc1 851662787 JLKZURTYCYHDRH-UONOGXRCSA-N 318.421 1.325 10 10 DDCE C[C@@H]1CCN(S(=O)(=O)NNc2nc3cccnc3s2)C1 857225348 KFGPXFKDTPDIFH-MRVPVSSYSA-N 313.408 1.194 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC[C@H]2C(F)F)c1 868602626 HYWLYMCSPYIPPX-VIFPVBQESA-N 320.317 1.243 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)[C@@H](O)c2cnc[nH]2)cc1 869142862 QLQSBESZANELQP-HNNXBMFYSA-N 318.377 1.047 10 10 DDCE CC(C)N1CC[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C1=O 868294270 UVAWPAQYCNLLAX-AAEUAGOBSA-N 305.378 1.762 10 10 DDCE C[C@H](NC(=O)N1CC[C@H](NC(N)=O)C1)c1ccc(N(C)C)cc1 776244461 JMBDMQSIHUBTSJ-AAEUAGOBSA-N 319.409 1.266 10 10 DDCE Cn1nnnc1C1CCN(Cc2cc(F)cc(F)c2O)CC1 895471486 XHVAMDWFOUZBJX-UHFFFAOYSA-N 309.320 1.574 10 10 DDCE CC(C)NS(=O)(=O)NCc1cc(Br)ccc1O 796191626 YCWBBQCPHGKWIF-UHFFFAOYSA-N 323.212 1.487 10 10 DDCE CCS(=O)(=O)[C@H]1CSCCN1c1ccc(OC)cc1N 213440134 ZPXQCIYDYDTBEA-ZDUSSCGKSA-N 316.448 1.591 10 10 DDCE CC(C)[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1 1331511986 AYZKGKUFGGOGLC-CQSZACIVSA-N 303.406 1.432 10 10 DDCE CC(C)C[C@H](CO)N(C)C(=O)C(=O)N(C)Cc1ccccc1O 1261342143 QRJMOPWZMAGAHS-CQSZACIVSA-N 322.405 1.216 10 10 DDCE CC[C@H]1CN([C@@H](CC)C(=O)NCc2cccc(O)c2O)CCO1 1521851374 LRGRXIHTRBEOBM-KBPBESRZSA-N 322.405 1.603 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c[nH]nc1[N+](=O)[O-] 1623574645 VSIHELMHYHIIQD-UHFFFAOYSA-N 311.294 1.439 10 10 DDCE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](O)C(F)(F)F 1556948409 MDLUHOFINQNDMV-RCOVLWMOSA-N 318.255 1.891 10 10 DDCE CC(C)CN1CC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1636266377 VOTSFNGDZCADOW-AWEZNQCLSA-N 306.406 1.734 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2ccc(CO)nc2)c1 1631543339 TYXDSBDLYFEWKW-JTQLQIEISA-N 302.330 1.779 10 10 DDCE NC(=O)[C@@H]1C[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1641972512 VZZZOEKHZLFYMZ-MNOVXSKESA-N 321.340 1.456 10 10 DDCE C[C@@H]1CN(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CCO1 1584317475 JIPGUDRBKKQOLM-LLVKDONJSA-N 319.365 1.300 10 10 DDCE Cn1cnc(-c2ccc(C(=O)NCc3cc(O)ccc3O)cc2)n1 1593873707 XEIQVYUFQWZLII-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2csnn2)cc1C 1690606592 QUFORJRNYGXATN-NSHDSACASA-N 320.418 1.763 10 10 DDCE CC[C@H]1SC(=S)N(CCC(=O)NC[C@H]2CCCO2)C1=O 11635845 LYJLSBASJHYCJM-NXEZZACHSA-N 316.448 1.311 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1 205821883 BSRLDADPKTWTQS-HYXAFXHYSA-N 306.318 1.742 10 10 DDCE [N-]=[N+]=NCCNC(=O)C1CN(C(=O)OCc2ccccc2)C1 1963818790 YMMBBVPHPDLMQC-UHFFFAOYSA-N 303.322 1.682 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCCCN=[N+]=[N-] 1890412060 DNXRKVKOZLLKLU-VIFPVBQESA-N 301.347 1.079 10 10 DDCE CN1C(C)(C)[C@H](NCc2cccc(Cl)c2O)CS1(=O)=O 1967825515 RWFSTGONOLYQKY-LLVKDONJSA-N 318.826 1.558 10 10 DDCE CN(C)c1ccc([C@@H](N)C2(O)CN(C(=O)OC(C)(C)C)C2)cc1 1977944365 FCCPROCZSBFCRI-CQSZACIVSA-N 321.421 1.734 10 10 DDCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)c1ccc(N)cc1 1993301026 XWJCYASBTVAWKG-ZWNOBZJWSA-N 323.393 1.506 10 10 DDCE C[C@H](C(=O)OC(C)(C)C)S(=O)(=O)Nc1ccc(O)cc1 2151217218 VYMCHUGCHLGUPC-SECBINFHSA-N 301.364 1.864 10 10 DDCE OCc1ccc(N2C[C@@H](CO)C[C@@H]2CO)c(Br)c1 2029385707 RPFCJNKBCCTUDS-WDEREUQCSA-N 316.195 1.121 10 10 DDCE NCc1ccc(N2C[C@@H]3OCCO[C@H]3C2)cc1Br 2032410908 HPMZOVKSOZCPSA-STQMWFEESA-N 313.195 1.512 10 10 DDCE C[C@@H](N)c1ccc(N2CC(C)(CS(C)(=O)=O)C2)c(F)c1 2173201073 AZQTXENBWPQNOC-SNVBAGLBSA-N 300.399 1.716 10 10 DDCE CN(C)C(=O)C1CN(c2ccc(CO)cc2Br)C1 2057396984 LJDUZWMTQJOWIF-UHFFFAOYSA-N 313.195 1.466 10 10 DDCE NCc1ccc(N2CCn3nncc3C2)cc1Br 2066537370 JSWOUBYSJIJFNE-UHFFFAOYSA-N 308.183 1.520 10 10 DDCE OC[C@@H]1COCC[C@@H]1NCc1cc(Br)ccc1O 2072977676 DKENWOFFSHACOM-PWSUYJOCSA-N 316.195 1.642 10 10 DDCE C[C@@H](NCc1c(O)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 2089886394 DQMLYYHMHUXXGC-NXEZZACHSA-N 303.811 1.958 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@@H]2[C@H](O)CO)cc1Br 2258330780 JSHBRANKUVVZHM-BZHVJNSISA-N 316.195 1.434 10 10 DDCE Cc1ccc(CN2C[C@@H](O)C[C@@H]2CN)c(O)c1Br 2327796288 FFDSVDSWQVYKSA-MNOVXSKESA-N 315.211 1.357 10 10 DDCE C[C@H](O)c1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)cc1Cl 2336462646 GIECTQXPMTZWAB-RWEMILLDSA-N 301.795 1.627 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](c2cc(O)c(O)cc2O)[C@@H](N)C1 310001652 QQXANXMTNIWKTN-ZJUUUORDSA-N 310.350 1.465 10 10 DDCE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cccc(O)c1O 276292652 UIFJTTPQUXMVFY-CWSCBRNRSA-N 305.330 1.512 10 10 DDCE C[C@@H]1C[C@H]1N1C[C@H](NCc2cc3c(cc2O)OCO3)CC1=O 363264579 OUHZXWXKMLSXBT-YUSALJHKSA-N 304.346 1.220 10 10 DDCE COCCn1c(C)c(C)c2cc(C(=O)NCCCN)ccc21 569616992 KOIAGJMRYJSTOS-UHFFFAOYSA-N 303.406 1.983 10 10 DDCE CCN1CC[C@@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1=O 801764595 ZSQFIUMVIAUBKI-IUODEOHRSA-N 318.421 1.734 10 10 DDCE C[C@H]1CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 823559247 HQGIFDVRUNPJBR-ZDUSSCGKSA-N 303.406 1.952 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCN2CCCC[C@@H]2C1 588404747 OUYHSESPHLLYFQ-BRLPQQTGSA-N 302.374 1.808 10 10 DDCE CCn1nnc(C)c1C(=O)OCC(=O)c1ccc(O)c(O)c1 837788718 WREPPPJGLJKFQT-UHFFFAOYSA-N 305.290 1.057 10 10 DDCE Cc1cc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)nn1C 832279339 JDQKABHUYSAVOG-CQSZACIVSA-N 301.394 1.224 10 10 DDCE CC1(C)OC[C@@H]2C[C@]21C(=O)OCC(=O)c1ccc(O)c(O)c1 849931333 UZRTWNDHUMRQMR-MGPLVRAMSA-N 306.314 1.639 10 10 DDCE Cc1ccc(C(=O)NCC(C)(C)[C@@]2(O)CCOC2)c(O)c1O 844041974 SSUOJOCQGFMAGX-MRXNPFEDSA-N 309.362 1.314 10 10 DDCE CN(C)c1ccc(CNC(=O)N(C2CC2)[C@H]2CCNC2)cc1 841654952 QQHWUKGYQUYGGM-INIZCTEOSA-N 302.422 1.789 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cc3ccn(C)n3)C2)cc1 855224502 LCTZXRBYLNCZPO-CQSZACIVSA-N 314.389 1.366 10 10 DDCE C[C@@H](N[C@H]1CCNC1=O)c1cc(Br)cc(F)c1O 850481369 KAGCEFSXYKCHQQ-LDWIPMOCSA-N 317.158 1.833 10 10 DDCE Cc1nc(N)nc(NCc2ccc(N3CCOCC3)cc2)n1 865461441 WIHWQPOFABYFKW-UHFFFAOYSA-N 300.366 1.211 10 10 DDCE NC(=O)CCCCC(=O)NCc1ccc2cccnc2c1O 862027193 LWFUGTWRXOEELN-UHFFFAOYSA-N 301.346 1.602 10 10 DDCE Cn1cc(S(=O)(=O)N2Cc3cccc(O)c3C2)nc1Cl 867690812 NNIMQONMVMKIKH-UHFFFAOYSA-N 313.766 1.484 10 10 DDCE CCN(CC)[C@H](C)CNC(=O)C(=O)N(C)Cc1ccccc1O 1117667455 UDOMIGZFKLHMIO-CYBMUJFWSA-N 321.421 1.197 10 10 DDCE COC(=O)[C@]1(O)CCN(Cc2c(O)ccc(Cl)c2F)C1 895703311 KSFISWKMDMVWAK-ZDUSSCGKSA-N 303.717 1.295 10 10 DDCE COC(=O)[C@@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1147270869 PVHDDEDMNIAZKF-HNNXBMFYSA-N 318.333 1.921 10 10 DDCE CC1(C)C[C@@H](NC(=O)c2cccc(O)c2O)CCS1(=O)=O 1304236250 ZDIHGLYWJCJRNC-VIFPVBQESA-N 313.375 1.183 10 10 DDCE O=C(NCc1c(O)cccc1O)C1(n2cnnn2)CCCCC1 1178917483 PPFQDPFTUXCFMA-UHFFFAOYSA-N 317.349 1.060 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)[C@@]2(F)CCOC2)cc1C 1321628192 SXWKEVHDKUPOKP-CXAGYDPISA-N 324.396 1.727 10 10 DDCE C[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)N1CCN(C)CC1 1347102545 PZPNNZUGFJPFRM-ZDUSSCGKSA-N 318.421 1.053 10 10 DDCE CSCCCCNC(=O)C(=O)N(C)Cc1ccccc1O 1261088571 PDSKERUMSZZOQU-UHFFFAOYSA-N 310.419 1.610 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)CC2CC2)cc1C 1272351454 KZXKYHKFONDEQG-HNNXBMFYSA-N 306.406 1.370 10 10 DDCE CN[C@@H](c1ccccc1O)[C@H](O)C1CN(C(=O)OC(C)(C)C)C1 1920611773 XKDWDTJRSDOCQF-LSDHHAIUSA-N 322.405 1.881 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@H]2CC(c3ccccn3)=NO2)c1 1633287148 WKHCNXNUBYKRAL-MRXNPFEDSA-N 311.341 1.905 10 10 DDCE C[C@H](Cc1cn(C)nn1)NC(=O)c1ccc(N=NC(N)=O)cc1 1643943717 LGJYEVRBWPCQLE-SECBINFHSA-N 315.337 1.339 10 10 DDCE C[C@@H](O)c1ccc(N2CCNC(=O)C(F)(F)C2)c(Cl)c1 2146725952 PHUCPUXZPAAACW-MRVPVSSYSA-N 304.724 1.965 10 10 DDCE COCCNCc1ccc(OCCS(C)(=O)=O)c(C)c1 2155010426 HQXYROOFSQRMAI-UHFFFAOYSA-N 301.408 1.154 10 10 DDCE COc1ccc(CNC(=O)[C@H]2CCCc3nnn(C)c32)c(O)c1 2063723181 VFLHLKYDCWCUEY-LBPRGKRZSA-N 316.361 1.266 10 10 DDCE CCNC(=O)c1cnn([C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 2069932385 UMTGUCGPGQSJMY-VIFPVBQESA-N 304.306 1.856 10 10 DDCE NCc1ccc(N2CC(=O)N[C@@H]3CC[C@H]32)cc1Br 2049372516 URMAENUTEGRLMS-VXGBXAGGSA-N 310.195 1.375 10 10 DDCE N[C@H]1CC(CN2CCc3ccc(Br)cc32)=C[C@@H]1O 2067765547 CQECIJOIPHBNSS-JSGCOSHPSA-N 309.207 1.830 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3C[C@H]3[C@@H]2CO)cc1Br 2078272617 FZHZQTKFYREDRA-RWEMILLDSA-N 315.186 1.864 10 10 DDCE O=S1(=O)C[C@H]2CCN(Cc3cccc(Cl)c3O)[C@@H]2C1 2094883533 WNMPEZFKBCZSMF-ZYHUDNBSSA-N 301.795 1.665 10 10 DDCE C[C@H](N)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)c(F)c1 2206706465 PNTYRFGKUDLWNX-ZETCQYMHSA-N 308.325 1.671 10 10 DDCE Cn1c(-c2c[nH]nc2CCN)nc2cncc(Br)c21 2227046955 DOQRRXZNPUHATA-UHFFFAOYSA-N 321.182 1.622 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3C[C@H](C2)[C@@H]3O)cc1Br 2258330953 KBZSDXUMPXGVQR-WOFXILAISA-N 315.186 1.864 10 10 DDCE CSc1ncc(CNC(=O)N2[C@H](C(=O)O)C[C@H]2C)s1 2269134795 QCOYDFBLRXFFJW-SVRRBLITSA-N 301.393 1.622 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@@H]2CCCCN2)s1 2269301466 HMENMDNELKPZSB-VIFPVBQESA-N 321.493 1.427 10 10 DDCE CN(C)c1ccc(C=C2NC(=O)NC2=O)cc1Br 2293261807 OINUEIDMSWTDLK-UHFFFAOYSA-N 310.151 1.695 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)N2CCCn3nccc32)c1 491685087 JZVVHEUMSLPYKV-ARJAWSKDSA-N 311.345 1.088 10 10 DDCE Cc1ccc(CN[C@@H](C)COCCN)c(O)c1Br 2327627231 AOVXJAHFUIJMEM-JTQLQIEISA-N 317.227 1.917 10 10 DDCE COc1ccc(O)c(CNC(=O)NCCn2cc(C)cn2)c1 118076262 VICGWNFCTKTMMS-UHFFFAOYSA-N 304.350 1.405 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CCSCC2)cc1 70490544 SEFJVTWRWQTFSF-UHFFFAOYSA-N 302.421 1.026 10 10 DDCE COc1ccc(N2CCN(c3ncccn3)CC2)cc1OC 71711557 UBWVFLQJVSIPII-UHFFFAOYSA-N 300.362 1.820 10 10 DDCE Cc1ccc(C(=O)NCc2ccc(CO)c(F)c2)c(O)c1O 182811684 BQSLFMMZZINOFD-UHFFFAOYSA-N 305.305 1.968 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1 229607318 JUWDLEYIBLVHQQ-SCXUMTSISA-N 320.345 1.990 10 10 DDCE COC[C@@H](O)[C@@H](N)c1ccc(Cl)c(Br)c1O 95804397 HBQZQNSPYGGXLW-APPZFPTMSA-N 310.575 1.815 10 10 DDCE CCOC(=O)N1CCC(NC(=O)Cc2ccc(O)c(O)c2)CC1 243845650 RDIIADRWYUSVFA-UHFFFAOYSA-N 322.361 1.377 10 10 DDCE COc1cccc(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)c1O 366093514 SXZJARISLUMGMB-NSHDSACASA-N 316.361 1.481 10 10 DDCE C[C@@H]1C[C@@]2(CCO1)CN(C(=O)c1cccc(O)c1O)C[C@@H](C)O2 373748147 YYUCGBZDKXSUGG-QFSBIZTOSA-N 321.373 1.896 10 10 DDCE COc1ccc(O)c(CNC(=O)CO[C@H](C)c2nccn2C)c1 806858337 KQIWPNOPTHOZNC-LLVKDONJSA-N 319.361 1.528 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@](C)(O)CSc1cccc(F)c1 808549695 MLMINGKETOAILK-AWEZNQCLSA-N 314.334 1.370 10 10 DDCE COC[C@H](O)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 709992975 LXXZSCLLKVXRLL-IRXDYDNUSA-N 303.358 1.978 10 10 DDCE CN(C)c1ccc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)cc1F 295079978 IDUBJIABJOQKIM-SJORKVTESA-N 307.413 1.797 10 10 DDCE C[C@H]1C(=O)N(C)CN1C(=O)NCc1ccc(N2CCCC2)cc1 825720756 DDSOMGSQGAYWTD-ZDUSSCGKSA-N 316.405 1.616 10 10 DDCE CN(C)c1ccc(CN(C(=O)Cc2cnnn2C)C2CC2)cc1 821033619 XDVVIUHQVFPQTR-UHFFFAOYSA-N 313.405 1.615 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCC[C@H]2CS(N)(=O)=O)cc1 835029525 RMZWIUICEYJMCV-IMMZDGJCSA-N 323.462 1.519 10 10 DDCE C[C@@H](NCCc1cn(C)nn1)c1ccc(N2CCOCC2)cc1 842894168 QUMUEHSRAQRCIL-CQSZACIVSA-N 315.421 1.545 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1C[C@@H]2CCC[C@H](C1)N2 843105301 RLZLVAGTRUSBQA-CALCHBBNSA-N 301.434 1.850 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](O)C(C)(C)C)C2)cc1 855233752 MIHFTCVCULTFMQ-DOMZBBRYSA-N 306.406 1.797 10 10 DDCE Cc1cc(CC(=O)N[C@H]2CCNC2=O)c(C)n1-c1ccccc1 855146937 XXZJJCAKJGSBQX-INIZCTEOSA-N 311.385 1.641 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1c(O)cc(C)cc1Cl 850360422 FJSDQMCYYJDGEE-WCQYABFASA-N 319.810 1.256 10 10 DDCE O=[S@]1C[C@@H]2C[C@H]1CN2Cc1c(O)cccc1Br 862402447 HKWWKDORJPZMFP-GSRNSYJJSA-N 316.220 1.860 10 10 DDCE Cc1ccc([C@@H](C)NC[C@@]23COCCN2C(=O)OC3)c(O)c1C 866520085 BZKNVSXATRRDMY-DYVFJYSZSA-N 320.389 1.881 10 10 DDCE C[C@@H](CO[C@H]1CCOC1)NC(=O)N[C@@H](C)c1ccccc1O 868383316 FMEWEKOIVQSXSW-AVGNSLFASA-N 308.378 1.946 10 10 DDCE Cn1nccc1CC(=O)NCc1cccc(Br)c1O 768305273 UPYLSRODWYJPOJ-UHFFFAOYSA-N 324.178 1.747 10 10 DDCE CC1(C)CO[C@@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)C1 871904247 KXWQWJXVERMSIO-CYBMUJFWSA-N 318.373 1.972 10 10 DDCE Cc1cc(Cl)cc(CNCCCN(C)S(C)(=O)=O)c1O 775982071 PGPFWYRUTCDUPD-UHFFFAOYSA-N 320.842 1.725 10 10 DDCE CCN(CC)c1ccc(CN2CC(O)(c3ncnn3C)C2)cc1 895620528 HPNUIXKBTOPVBX-UHFFFAOYSA-N 315.421 1.365 10 10 DDCE O=S1(=O)CCC[C@H](NCc2ccc(F)c(F)c2O)CC1 703394265 JZRXKSCYVCVFGY-JTQLQIEISA-N 305.346 1.727 10 10 DDCE CCN(C(=O)OC(C)(C)C)[C@H](C(N)=O)c1ccc(O)c(O)c1 710751315 YSCJSBIAOJEDPQ-LBPRGKRZSA-N 310.350 1.881 10 10 DDCE CC1=NN(C(N)=S)C(=O)[C@H]1N=Nc1ccc(C(=O)O)cc1 1084327899 TXXGWWBTJNMGPS-VIFPVBQESA-N 305.319 1.299 10 10 DDCE C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1c(O)cccc1O 1178905973 UMDKBTDQKARZBL-MGPLVRAMSA-N 315.325 1.943 10 10 DDCE CCN(CC)c1ccc(CNC(=O)C(=O)N2CC(C)(F)C2)cc1 1257176464 JZIBOUXRPHZTIV-UHFFFAOYSA-N 321.396 1.719 10 10 DDCE C[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCS1 1330475461 CDFHJRQIOWLSFU-LLVKDONJSA-N 320.414 1.588 10 10 DDCE CN[C@H](c1ccccc1O)[C@@H](O)CCNC(=O)OC(C)(C)C 1920636714 XKOGZACYSRMSBA-UONOGXRCSA-N 310.394 1.928 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)Cn2cc(C(C)=O)nn2)c1 1465991885 GWMPTYVXNYMNGO-VIFPVBQESA-N 318.333 1.072 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)Cc2cc[nH]n2)cc1C 1480438967 NABDBPNZVAUKLU-CYBMUJFWSA-N 316.405 1.564 10 10 DDCE CC(=O)N[C@@H](C(=O)NCc1c(O)cccc1O)C1CCCC1 1558533341 CPARKTIVQQAEPB-OAHLLOKOSA-N 306.362 1.409 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)[C@@]2(F)CCOC2)cc1C 1715991709 SXWKEVHDKUPOKP-SUMWQHHRSA-N 324.396 1.727 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1c(O)cccc1O 1635847164 IVBZIMVVDVWXHN-ALCCZGGFSA-N 301.298 1.839 10 10 DDCE C[C@@](O)(CNC(=O)c1cccc(O)c1O)c1cccc(F)c1 1635219019 UCAABPHOTPLGLA-MRXNPFEDSA-N 305.305 1.874 10 10 DDCE Cc1ccc(C(=O)N[C@@H](CCC(C)(C)C)C(N)=O)c(O)c1O 1568222560 PIOWKWJANSJDFC-NSHDSACASA-N 308.378 1.816 10 10 DDCE C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1cc(O)ccc1O 1593867645 BFQAPMOPWOSMEJ-LLVKDONJSA-N 314.341 1.533 10 10 DDCE CC(C)(C)OC(=O)N1CCOC[C@](N)(c2ccccc2O)C1 1933869844 ALIXAYOIUYPFJA-INIZCTEOSA-N 308.378 1.814 10 10 DDCE COCCS(=O)(=O)CCNCc1cc(Cl)ccc1O 2139803669 OXHIIRZOTKDSCN-UHFFFAOYSA-N 307.799 1.196 10 10 DDCE Cc1ccc(/C=C2/SC(=S)N([C@@H](CO)C(=O)O)C2=O)cc1 1858595725 HIHFQPQBJTYLTP-OTXQMUPVSA-N 323.395 1.642 10 10 DDCE C[C@@H](CNC(=O)OC(C)(C)C)[C@H](F)C(=O)NCCN=[N+]=[N-] 1965102780 TVRGWQOANIQDQM-IUCAKERBSA-N 303.338 1.912 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)c(F)c1 2145062253 RFCWDEVXNLBQCI-CABZTGNLSA-N 302.346 1.047 10 10 DDCE C[C@H](N[C@H](C)CS(=O)(=O)N(C)C)c1cc(F)ccc1O 1967466091 QZQZHQOFDOIGET-ZJUUUORDSA-N 304.387 1.462 10 10 DDCE CNCc1ccc(OC)c(C[S@@](=O)CCC[S@](C)=O)c1 320458686 YKHGOFHYBIFRQD-PMACEKPBSA-N 317.476 1.432 10 10 DDCE NCc1ccc(N2CCC[S@](=O)CC2)c(Br)c1 321862068 MQVVFQGUVGHGHR-KRWDZBQOSA-N 317.252 1.867 10 10 DDCE O=C1CC[C@H]1CS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2178175525 FODFTYACMLJUPN-ZETCQYMHSA-N 300.292 1.021 10 10 DDCE Cc1ccc(C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)o1 2053494186 ODXNHIPQHQIOSS-UHFFFAOYSA-N 319.386 1.756 10 10 DDCE C[C@H](NCc1ccc(Br)cc1O)C(=O)NC1CC1 691468849 PDQCPICNUVWIDP-QMMMGPOBSA-N 313.195 1.911 10 10 DDCE COCC1(O)CN(c2ccc(CN)c(Br)c2F)C1 395296251 NJUMPHNFUZXGPK-UHFFFAOYSA-N 319.174 1.244 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)[C@H]1CC(=O)N(CC(F)(F)F)C1 2062227697 OFTVQEIAFOCRIC-ZETCQYMHSA-N 318.251 1.447 10 10 DDCE C[C@H](N)c1cc(F)c(N(C)[C@@H](C)CS(C)(=O)=O)c(F)c1 2194695203 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CN(C)c1ccc(CNC(=O)CN2CCCSCC2)cc1 89980114 KUMKOFUHCWOZEI-UHFFFAOYSA-N 307.463 1.808 10 10 DDCE COc1cc(Cl)c(N2CCN(CCO)CC2)c(OC)c1 2368109782 CAMWPSICHQCPDS-UHFFFAOYSA-N 300.786 1.472 10 10 DDCE COc1ccc(N2CCN(C(=O)c3csc(N)n3)CC2)cc1 82320363 WHSBNLCCWHIWFI-UHFFFAOYSA-N 318.402 1.696 10 10 DDCE COC(=O)CCCCCNC(=O)/C=C/c1ccc(O)c(O)c1 272426330 KSHILDHBUCJOHP-VQHVLOKHSA-N 307.346 1.961 10 10 DDCE CN(c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2)[C@@H]1CCCOC1 804782028 KZQNSVODPMHYPZ-SECBINFHSA-N 307.306 1.541 10 10 DDCE CO[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1C 828902902 DBFQEIUISVJNKX-RNCFNFMXSA-N 321.333 1.787 10 10 DDCE Cc1n[nH]cc1CCCNC(=O)NCc1c(O)cccc1F 905150094 XBGULKYENJOLPU-UHFFFAOYSA-N 306.341 1.995 10 10 DDCE C[C@H]1CC[C@@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C1 842235106 CUOLDFJNLWSNNR-QWHCGFSZSA-N 303.406 1.575 10 10 DDCE CC[C@H](N)CNC(=O)NCc1cc(Br)ccc1O 842004579 GMCHAUUVHOBHFP-JTQLQIEISA-N 316.199 1.691 10 10 DDCE CCOC(=O)CC[C@H](C)NC(=O)NCCc1ccc(N)cc1 841866336 BXOZYOVBQQPGIN-LBPRGKRZSA-N 307.394 1.842 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](CN)[C@H](c2ccc(O)c(O)c2O)C1 687812236 OMYSPYAUFPFTIX-MWLCHTKSSA-N 324.377 1.713 10 10 DDCE C[C@H](C(=O)NCC(F)(F)F)N1CCCc2cc(CN)ccc21 843349830 FMCKOWDXTIKWLM-SNVBAGLBSA-N 315.339 1.965 10 10 DDCE CCN(CC)c1ccc(CNC[C@@H](O)CS(C)(=O)=O)cc1 922828494 RWGVSEBQXMUYLH-OAHLLOKOSA-N 314.451 1.028 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)NC(C)=O)C2)cc1 855229104 HQHGBYRIOOTYSM-CYBMUJFWSA-N 319.405 1.305 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCO)C2)cc1 853771571 ZETJASGBPUSEPE-OLZOCXBDSA-N 307.394 1.344 10 10 DDCE C[C@H](NC[C@H](O)CN1CCN(C)CC1)c1ccc(N(C)C)cc1 775833324 BLABPDVKMDBWGV-YJBOKZPZSA-N 320.481 1.012 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CC[C@@](CO)(C(F)(F)F)C1 899605416 CDUPJAZWSJRHLQ-GFCCVEGCSA-N 323.242 1.624 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@H](NS(C)(=O)=O)C2)cc1Cl 702987866 KKZXRXJSSPIMTE-UWVGGRQHSA-N 318.826 1.521 10 10 DDCE C[C@H](CNCc1ccc(Br)cc1O)c1nn[nH]n1 691395317 MEXQFKQXOIGLNK-SSDOTTSWSA-N 312.171 1.561 10 10 DDCE CN(CC(F)(F)F)S(=O)(=O)CCOc1ccc(N)cc1 70490680 FESKQVXDJCQHID-UHFFFAOYSA-N 312.313 1.472 10 10 DDCE Nc1nnc([C@@H]2CCCN(C(=O)c3cccc(O)c3O)C2)o1 1301584699 FVNAYIZGPMUWPW-MRVPVSSYSA-N 304.306 1.083 10 10 DDCE C[C@H](Sc1nncn1C)C(=O)NCc1cc(O)ccc1O 1303223527 SXVPSIXITICACN-QMMMGPOBSA-N 308.363 1.023 10 10 DDCE COC[C@@H]1CC[C@H](Sc2nccs2)C[C@@]1(N)C(=O)O 2127244183 UPJBDQVGGBCLIM-AUTRQRHGSA-N 302.421 1.832 10 10 DDCE COC(=O)C1CC2(C1)CN(Cc1ccccc1O)C[C@@H]2C(=O)O 1339207468 QOXBDVIPOVJSSJ-UIORMTCPSA-N 319.357 1.478 10 10 DDCE CC1(C)C[C@](C)(NC(=O)N2Cc3cccc(O)c3C2)C(=O)O1 1348578021 VJINZVRWOSDSOE-INIZCTEOSA-N 304.346 1.902 10 10 DDCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1sccc1S(C)(=O)=O 1912179743 XOKMCYGGOJDJMT-QMMMGPOBSA-N 318.380 1.266 10 10 DDCE CS(=O)(=O)c1sccc1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912184674 GMCZCZIYADQMJR-SSDOTTSWSA-N 300.365 1.676 10 10 DDCE COc1ccc(N2CCC(NC(=O)c3n[nH]cc3F)CC2)cc1 1442926721 MAMCOWYDDAGKOF-UHFFFAOYSA-N 318.352 1.956 10 10 DDCE C[C@@H](C[S@@](C)=O)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1295580718 PORMYCJFXJMDCB-JLTPVHFHSA-N 310.379 1.688 10 10 DDCE COC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cccc(O)c1O 1468407960 BBYQAWBMVSGYNT-GFCCVEGCSA-N 316.313 1.007 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H](CCO)C(F)(F)F)cc1 1558389226 SMFLWWHEXGZOLO-SECBINFHSA-N 318.255 1.892 10 10 DDCE COc1ccc(N2CCN(C(=O)/C=C\c3cnccn3)CC2)cc1 1772903978 AOVFKCFIIFYQNZ-UQCOIBPSSA-N 324.384 1.847 10 10 DDCE O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2c(O)ccc(O)c12 14436799 JGTKWAPKKUUANC-UHFFFAOYSA-N 318.237 1.694 10 10 DDCE endogenous,in-man COC(=O)/C=C\c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 205821310 WBERCQRAGZVVRL-XQRVVYSFSA-N 305.334 1.533 10 10 DDCE CCOC(=O)C1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 1866303479 ZABUYAWTFXPVIR-UHFFFAOYSA-N 309.318 1.219 10 10 DDCE CCOCCOC(=O)COC1CCN(c2ccc(N)cc2)CC1 585879939 LIGANHCBZKUQNH-UHFFFAOYSA-N 322.405 1.834 10 10 DDCE CNCc1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)cc1Cl 234413941 LJPKIUMHWVJQNK-GFCCVEGCSA-N 302.827 1.683 10 10 DDCE Cc1cc(=NC(=O)CNCc2cc(Cl)ccc2O)cc[nH]1 1857857564 DAXBQLWEGPRGPL-UHFFFAOYSA-N 305.765 1.899 10 10 DDCE CNCc1ccc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)c(Cl)c1 2144168799 AAPMVOHFRFDZJX-RYUDHWBXSA-N 314.838 1.540 10 10 DDCE CN(CCc1ccc(N)cc1)C[C@H](O)CNC(=O)OC(C)(C)C 1977887747 HNQNRQTZFZQZNQ-OAHLLOKOSA-N 323.437 1.629 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)CCCCCN 2145996797 GJIQKUJLVQZDGA-GFCCVEGCSA-N 300.424 1.844 10 10 DDCE CCC1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CN(C(=O)OC(C)(C)C)C1 1980369564 MKVNSMCRWCTSJW-HAQNSBGRSA-N 324.421 1.899 10 10 DDCE NC1CC(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 2033430513 NQKOVBCABLQUNU-UHFFFAOYSA-N 311.190 1.930 10 10 DDCE CCN1CCN(c2ccc(CO)cc2Br)CC1=O 2040916297 GXNHJRRCOXWUBC-UHFFFAOYSA-N 313.195 1.610 10 10 DDCE CNCc1ccc(N2CC(C(=O)NC)C2)cc1Br 381975176 BUUDMGUBMKWXQS-UHFFFAOYSA-N 312.211 1.351 10 10 DDCE OCc1ccc(N2CC(n3cnnc3)C2)c(Br)c1 2050822131 VVPZCCVKQJLAOU-UHFFFAOYSA-N 309.167 1.594 10 10 DDCE C[C@](O)(CO)[C@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2202839194 CWEPSHRBKSQDRX-HZMBPMFUSA-N 302.777 1.507 10 10 DDCE COc1nscc1S(=O)(=O)NCc1cccc(C)c1O 2204611103 SKQXWSITFHWANF-UHFFFAOYSA-N 314.388 1.644 10 10 DDCE Cc1cc(N2CC(S(=O)(=O)C(F)F)C2)ccc1[C@@H](C)O 2285174938 JIIRDRKKFWPANO-SECBINFHSA-N 305.346 1.874 10 10 DDCE C[C@@H](O)[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2)SC1=S 2323823747 JKLFVMXMZRVBBP-LDYMZIIASA-N 323.395 1.722 10 10 DDCE CC[C@H]1NCC[C@]1(NCc1cnc(SC)s1)C(=O)O 2350347473 HDWZKRTWBCPWSW-BXKDBHETSA-N 301.437 1.550 10 10 DDCE CCCNC(=O)CNCc1cc(Br)ccc1O 227434913 PQGSBOKCNZNZHM-UHFFFAOYSA-N 301.184 1.771 10 10 DDCE COc1ccc(N2CCN(C[C@H](O)C(F)(F)F)CC2)cc1F 121464201 WXVVQACQLXQBLS-ZDUSSCGKSA-N 322.302 1.880 10 10 DDCE N[C@@H](CO)c1cc(Cl)c(Br)c([N+](=O)[O-])c1O 72199850 SIOHZDMPXNWUAA-YFKPBYRVSA-N 311.519 1.708 10 10 DDCE C[C@H](NS(=O)(=O)CCOc1ccc(N)cc1)[C@@H]1CCCO1 70490611 LTCVQUCRQIXKOH-FZMZJTMJSA-N 314.407 1.135 10 10 DDCE CC[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C)O1 247585491 MEUKKNRGXIWJRR-RHSMWYFYSA-N 319.449 1.868 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cc(S(C)(=O)=O)c(C)o2)c1 529837675 XNANTXQIBPEYNK-UHFFFAOYSA-N 323.370 1.936 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](NC(=O)OC(C)(C)C)C1CCC1 817276048 YAUKZMAAGWBNTD-GFCCVEGCSA-N 313.350 1.381 10 10 DDCE COC(=O)CC[C@@H]1CC[C@H](C(=O)NCc2ccccc2O)O1 821059927 AMVXUKWIIKVISB-GXTWGEPZSA-N 307.346 1.509 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1(O)CCOCC1 907276146 ZJHHMBLJIITFSH-LLVKDONJSA-N 309.362 1.077 10 10 DDCE C[C@H](NC[C@]1(CO)COCCN1C)c1cc(Cl)ccc1O 903283936 YIHCUNRWAORFGY-NHYWBVRUSA-N 314.813 1.389 10 10 DDCE c1cc2c(cc1CN[C@H]1CNCC3(CCOCC3)C1)CCO2 903974541 QBHNKHZGWMCHIO-MRXNPFEDSA-N 302.418 1.870 10 10 DDCE COCC(=O)NC1CCN(Cc2cc3c(cc2O)CCC3)CC1 917459872 PXTNKLHBKUFYHM-UHFFFAOYSA-N 318.417 1.608 10 10 DDCE CC[C@H]1CO[C@@H](C)CN1Cc1cc(O)n2ncc(C(=O)O)c2n1 846228807 DXLITRSBUOTVKJ-ONGXEEELSA-N 320.349 1.132 10 10 DDCE O=C(NCc1ccccc1O)N[C@@H]1CCCN2CCSC[C@H]12 915518452 ULGMODXHFGRUQB-ZIAGYGMSSA-N 321.446 1.771 10 10 DDCE C[C@H](CO[C@@H]1CCOC1)NC(=O)NCc1c(O)cccc1F 921385781 CQGZNKPCAKDMLF-GHMZBOCLSA-N 312.341 1.525 10 10 DDCE CN(C)c1ccc([C@@H](N)CNC(=O)C(C)(C)n2cccn2)cc1 852791943 NTMYHQDVAKAWSW-HNNXBMFYSA-N 315.421 1.500 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@H]3CO)C2)cc1 854300087 PAOLZJJZXPBBAN-ZFWWWQNUSA-N 319.405 1.440 10 10 DDCE CCN(CCO)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854301478 PUUGTLUEVJASHY-ZDUSSCGKSA-N 307.394 1.298 10 10 DDCE C[C@]1(C(F)(F)F)CN(C(=O)c2cccc(O)c2O)CCO1 871438753 UEVYSKSUNHNEPA-GFCCVEGCSA-N 305.252 1.891 10 10 DDCE CCN(CC)c1ccc([C@H]2NC(=O)NC(C(=O)O)=C2OC)cc1 76256339 IKIVUJQCIVZBJU-GFCCVEGCSA-N 319.361 1.829 10 10 DDCE Cc1cccc(-n2cc(C(=O)NCc3ccc(O)cc3O)nn2)c1 1142532991 BPVLBHMVIPORBA-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(c2cn[nH]c2)CC1 1147837318 DUVJMGPUVDSHHY-UHFFFAOYSA-N 301.346 1.770 10 10 DDCE CN(C[C@H]1CCCS1(=O)=O)c1ccc(CN)cc1Cl 694091817 UCMOTMIOQYOJPT-LLVKDONJSA-N 302.827 1.812 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cc2c(nc1O)CCOC2 1153798365 PYOLNKCENICMHB-UHFFFAOYSA-N 316.313 1.201 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CC([S@](C)=O)C2)c1O 2115369364 WTAQBBFTTMFJRM-IBGZPJMESA-N 301.795 1.811 10 10 DDCE C[C@@H](C(=O)NCc1cccc(O)c1O)N(C)C(=O)OC(C)(C)C 1263896221 RZRQCWAKAIDWAQ-JTQLQIEISA-N 324.377 1.969 10 10 DDCE CCOc1ccc(N2CCN(C[C@@](C)(O)C(C)=O)CC2)cc1 1344124725 NZJBDVAXTHEDEK-QGZVFWFLSA-N 306.406 1.547 10 10 DDCE COc1nscc1S(=O)(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912149935 NDELDRVMRJFOGR-QMMMGPOBSA-N 317.396 1.863 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC[C@@H](CN=[N+]=[N-])C1 1912149378 FSSPXULJRDJIAA-QJPTWQEYSA-N 302.400 1.211 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cn(C)c(O)n1 1352626307 IPERKBKRMZAQIE-UHFFFAOYSA-N 314.389 1.998 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1nc(C(F)(F)F)n[nH]1 1448136422 UZRSDMUZFJBFLG-UHFFFAOYSA-N 316.239 1.094 10 10 DDCE CS(=O)(=O)c1ccc(/C=C\C(=O)NCc2ccccc2O)o1 1294925982 WEDPCBDXGGDNPQ-VURMDHGXSA-N 321.354 1.718 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)c1ccccn1 1298491784 SAAPRIZBNVMVPM-VUDGCMKMSA-N 300.314 1.356 10 10 DDCE O=C(CNc1ccccc1[N+](=O)[O-])NCc1c(O)cccc1O 1558534549 ULLRUHHWAREIRV-UHFFFAOYSA-N 317.301 1.734 10 10 DDCE C[C@@H](NC(=O)c1coc(S(C)(=O)=O)c1)c1ccccc1O 1632250596 XPIYLJDZNUAJIH-SECBINFHSA-N 309.343 1.880 10 10 DDCE CC/C(C)=C\C(=O)NC[C@H](CO)NCc1ccc(OC)c(C)c1 1734364892 KUBIEFVUPUXBTC-LPDYGMJQSA-N 320.433 1.927 10 10 DDCE CCC[C@@H](C)N1C[C@H](C(=O)NCc2c(O)cccc2O)CC1=O 1652622818 ITLSRAIAUADQJB-VXGBXAGGSA-N 320.389 1.751 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCCN2CCOCC2)cc1 1587014350 ZWJBDXOEBUBXQF-UHFFFAOYSA-N 319.365 1.301 10 10 DDCE CC[C@@H](C)C(=O)NC[C@H](O)CNCc1ccc(OC)c(C)c1 1667790216 QGGWHHMLTQFWKZ-IUODEOHRSA-N 308.422 1.616 10 10 DDCE NN1C(=O)/C(=C/c2ccc(OCCC(=O)O)cc2)SC1=S 16905017 HDHRHPYAUXHLKW-YFHOEESVSA-N 324.383 1.615 10 10 DDCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)NC(=O)OCC 162757803 URNUQUMFUAFARD-UHFFFAOYSA-N 315.395 1.472 10 10 DDCE CS(=O)(=O)N1CC[C@H](CNCc2ccc(Cl)cc2O)C1 1964067205 CMZLBFVRJOCPFQ-SNVBAGLBSA-N 318.826 1.417 10 10 DDCE O=S1(=O)C[C@@H]2CCN(Cc3cc(F)cc(F)c3O)[C@H]2C1 2151232066 DUMAJIUHWMVOFL-UFBFGSQYSA-N 303.330 1.289 10 10 DDCE Cc1cc(CN)ccc1N1CC(CS(=O)(=O)C(F)F)C1 2173182625 DFEOCMKYWWDWNG-UHFFFAOYSA-N 304.362 1.527 10 10 DDCE O=S1(=O)C[C@@H]2[C@H](NCc3cc(Cl)cc(Cl)c3O)[C@@H]2C1 2118016994 QYSWRXBOAKHBPX-DOFRTFSJSA-N 322.213 1.832 10 10 DDCE COCCOCCOCCSc1ncc(C[C@@H](C)N)s1 2240412832 QFCVBNLHFZCATA-LLVKDONJSA-N 320.480 1.805 10 10 DDCE CCO[C@H]1CNC[C@H]1C(=O)NCc1cnc(SC)s1 2269089893 HNGREDLUAUQQQG-ZJUUUORDSA-N 301.437 1.106 10 10 DDCE CCC[C@@H](C(=N)NO)C(=O)NCc1cnc(SC)s1 2269137037 FFKDIVPKDAZJLD-QMMMGPOBSA-N 302.425 1.854 10 10 DDCE CSc1ncc(CNC(=O)[C@H](CN)[C@@H]2CCOC2)s1 2269188567 QMCVVHYSRHCFNL-PSASIEDQSA-N 301.437 1.093 10 10 DDCE C[C@H]1C[C@@H](C)CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 70490508 FJJZIXXAIOHECU-BETUJISGSA-N 312.435 1.955 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CSCCN1 214388547 LACWFCFOVHCBHC-OAHLLOKOSA-N 307.463 1.806 10 10 DDCE C[C@@H](N)c1ccc(N2CCO[C@@H](CO)C2)cc1Br 235218880 BZWLQSSQUCRIOB-MWLCHTKSSA-N 315.211 1.666 10 10 DDCE Cc1cc2c(n1-c1cccc(S(N)(=O)=O)c1)CCC[C@@H]2N 41727584 HDNOEIRHYVMLPI-AWEZNQCLSA-N 305.403 1.769 10 10 DDCE CCOC(=O)c1cnn2c(O)cc(CN3C[C@H]4CC[C@H]3C4)nc12 255391886 UJSWIBAFAZFPCM-JQWIXIFHSA-N 316.361 1.596 10 10 DDCE CN(C)c1ccc(CN2CCS(=O)(=O)C(C)(C)C2)cc1F 271182185 KRHWPWCHXCEUEE-UHFFFAOYSA-N 314.426 1.901 10 10 DDCE CCC[C@@H](COC)N(C)S(=O)(=O)Cc1ccc(N)cc1 2165981556 DCSBCPJXVHXMPQ-AWEZNQCLSA-N 300.424 1.846 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)C[C@@H](O)CN1C 900028047 YQUJEDDADHAYCO-NVXWUHKLSA-N 305.422 1.166 10 10 DDCE C[C@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)c1ccnn1C 832284326 IMKAMYFLSBXZNE-SWLSCSKDSA-N 315.421 1.406 10 10 DDCE CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855232514 RLDABVBUBNTYBH-DAXOMENPSA-N 304.390 1.815 10 10 DDCE CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1 852653679 YMOFLTDBZPAGBO-INIZCTEOSA-N 304.438 1.940 10 10 DDCE COC(=O)[C@@H]1C[C@H]1[C@H](C)NCc1ccc(N2CCOCC2)cc1 850071058 ZVMQHIRGXYLNMW-RRQGHBQHSA-N 318.417 1.810 10 10 DDCE CC(=O)CSCC(=O)NCc1ccc2cccnc2c1O 862026075 GFUUZTMOLLDMMP-UHFFFAOYSA-N 304.371 1.879 10 10 DDCE Oc1ccc(Cl)c(F)c1CN1CCN(c2nccnn2)CC1 862443423 OYQDNRNLAGHORU-UHFFFAOYSA-N 323.759 1.692 10 10 DDCE C[C@@H]1C[C@@H](S(=O)(=O)NCc2ccc(O)cc2O)CCO1 867416645 DTRUGHKIDGLYQI-SKDRFNHKSA-N 301.364 1.085 10 10 DDCE C[C@@H](NCc1ccc(OCc2ccccc2)cc1O)C(N)=O 775198706 DMGIBDFPWLEFOX-GFCCVEGCSA-N 300.358 1.935 10 10 DDCE COC1=C(C(=O)O)NC(=O)N[C@H]1c1ccc(N2CCCC2)cc1 76256325 WIIKOQOBGKVKRV-LBPRGKRZSA-N 317.345 1.583 10 10 DDCE CC[C@H](C)[C@@H](NC(=O)CC1C(=O)c2ccccc2C1=O)C(=O)O 100435291 RQIJGAQBRNHVEB-LKFCYVNXSA-N 317.341 1.687 10 10 DDCE COc1ccc(CNC(=O)c2cccc(-n3cncn3)c2)c(O)c1 794391644 ZOASRKBLIFRAJO-UHFFFAOYSA-N 324.340 1.912 10 10 DDCE COc1ccc(N2CCC(NC(=O)[C@@H](C)CC(N)=O)CC2)cc1 1143192002 VSCGHWVSCLLFRT-LBPRGKRZSA-N 319.405 1.292 10 10 DDCE O=S1(=O)C[C@H]2[C@@H](CNCc3cc(Cl)ccc3O)[C@H]2C1 2117982408 PAGGGXSNFPPEJE-ZSBIGDGJSA-N 301.795 1.426 10 10 DDCE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NCCCN=[N+]=[N-] 1886236835 VHFJDCJOWXEXOU-VIFPVBQESA-N 301.347 1.079 10 10 DDCE C[C@H](F)CS(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 2121062738 WRSOKYNJWSFNCE-QMMMGPOBSA-N 310.372 1.158 10 10 DDCE CN(C/C=C/C(=O)NCc1cc(O)ccc1O)CC(F)(F)F 1176754357 BFLQMJYMZTXETA-NSCUHMNNSA-N 318.295 1.764 10 10 DDCE Cn1nnnc1CCCNC(=O)NCc1cc(Cl)ccc1O 1251552427 MUYJWQDBOULIGE-UHFFFAOYSA-N 324.772 1.001 10 10 DDCE CN(C)CC1(CNC(=O)Cc2ccc(O)c(O)c2)CCCC1 1447500308 ZHBGLQVZMTWGST-UHFFFAOYSA-N 306.406 1.879 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H]3C(C(N)=O)[C@H]3C2)cc1Br 2136616035 YEWMHCGWGXUXEJ-SWPVVBRQSA-N 324.222 1.636 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)[C@H]1COc2ccc(O)cc2O1 1545639419 NUZPTCRLFQYJHA-OAHLLOKOSA-N 317.297 1.260 10 10 DDCE C[C@H](Cn1cccn1)NC(=O)c1ccc(N=NC(N)=O)cc1 1625369489 GLQBANNRCSTQJY-SNVBAGLBSA-N 300.322 1.864 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2c(O)cccc2O)nc1 1558534260 RUMCAPVYISHTFQ-UHFFFAOYSA-N 302.286 1.209 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)CC2(O)CCC2)cc1C 1491447326 JRCATDJZXPWFOT-CQSZACIVSA-N 320.433 1.903 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@H](O)c1cccc([N+](=O)[O-])c1 1646034060 FYLLNNWHTGLOJG-CQSZACIVSA-N 320.276 1.789 10 10 DDCE C[C@H](C(=O)NCc1c(O)cccc1O)n1nnnc1C(C)(C)C 1597574143 IMIGUMYJYHOGLY-SECBINFHSA-N 319.365 1.259 10 10 DDCE O=C(N[C@@H]1CCC2(C1)OCCO2)N1Cc2cccc(O)c2C1 1679546288 CBSMPMYIBSKEOQ-GFCCVEGCSA-N 304.346 1.713 10 10 DDCE COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 5841478 DYBUYWJFNJIFFR-XYOKQWHBSA-N 302.286 1.897 10 10 DDCE C[C@@H](Oc1ccc(/C=C2\SC(=S)N(N)C2=O)cc1)C(=O)O 16905018 CPFMQZCJTNACOD-LWYMYGMPSA-N 324.383 1.613 10 10 DDCE CCCN[C@@H](C)c1ccc2c(c1)CCN2CCS(N)(=O)=O 162194697 JQJRMMQKQBFKOK-LBPRGKRZSA-N 311.451 1.398 10 10 DDCE Oc1cccc(Br)c1CN[C@H]1CCn2nnnc2C1 1875673305 JCEGGQPHQBJWDY-QMMMGPOBSA-N 324.182 1.246 10 10 DDCE O=S1(=O)CCC[C@H](CNCc2ccc(Cl)cc2O)C1 1308796703 SMAQFBXFPYCWRM-SNVBAGLBSA-N 303.811 1.960 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cnc(O)nc1O 2145850174 IPIFRQQAXSIWRE-UHFFFAOYSA-N 317.710 1.048 10 10 DDCE CN(CCc1ccc(N)cc1)C[C@@H](O)CNC(=O)OC(C)(C)C 1977887746 HNQNRQTZFZQZNQ-HNNXBMFYSA-N 323.437 1.629 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NCc2ccc(N)cc2)C1 1986128892 XPLGGGBTERJLPO-CABCVRRESA-N 321.421 1.729 10 10 DDCE Oc1c(F)cc(Br)cc1CN1CC2(CCN2)C1 1995905928 WQYIVZSFBXGOBP-UHFFFAOYSA-N 301.159 1.842 10 10 DDCE Cn1nc(C(=O)N2CC(N=[N+]=[N-])C2)c(Br)c1Cl 2001994703 OFHJWDHDOMCVDV-UHFFFAOYSA-N 319.550 1.971 10 10 DDCE COc1cc(Cl)cc(CNC[C@H]2COCCCO2)c1O 2153988083 LMSKITOANUYKBW-LBPRGKRZSA-N 301.770 1.949 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H]2CC[C@H]3[C@@H]2C3(F)F)cc1 2158362970 QOSYXFPRVCVRPU-TUAOUCFPSA-N 302.346 1.732 10 10 DDCE COCCNC(=O)CNCc1c(O)cccc1Br 706833992 OYFOCWDOMLKDSV-UHFFFAOYSA-N 317.183 1.007 10 10 DDCE NC(=O)N1CCN(c2ccc(CO)cc2Br)CC1 721678541 NKPUURPVSOTMAL-UHFFFAOYSA-N 314.183 1.142 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H]([C@H]4CCOC4)C3)c2n1 2063548976 RLWUNNBPCJYRBZ-RYUDHWBXSA-N 316.361 1.242 10 10 DDCE CN[C@H](c1ccccc1O)[C@](C)(O)CS(=O)(=O)C(C)C 2170540654 VSRGMFGXPSYPEG-ZIAGYGMSSA-N 301.408 1.227 10 10 DDCE CC1(C)OC[C@@H](NCc2cccc(Br)c2O)[C@@H]1O 2078736432 FETYZQCXCVSKPO-PWSUYJOCSA-N 316.195 1.783 10 10 DDCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@@H]1C1OCCO1 2089608577 HITQOLGTSVQRAK-SMDDNHRTSA-N 305.378 1.433 10 10 DDCE CSc1ncc(CNC2C[C@H]3CS(=O)(=O)C[C@@H]3C2)s1 2208839290 JHBCPBKWYWEHTQ-IUCAKERBSA-N 318.489 1.778 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@H]2CCCCC2=O)s1 2269241929 LWTIWPOBIGSELC-JTQLQIEISA-N 320.461 1.796 10 10 DDCE Cc1ccc(CNC[C@@H](O)[C@@H](C)O)c(O)c1Br 2307483232 XZYKIESEYIMQGN-PSASIEDQSA-N 304.184 1.294 10 10 DDCE CSc1cc(N2CCS(=O)(=O)C[C@@H]2C)ccc1CN 2353860246 RKUSSAPZRFZRQW-JTQLQIEISA-N 300.449 1.491 10 10 DDCE CC1(C)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O 179539192 MTTPHSZNXWFRRN-UHFFFAOYSA-N 312.391 1.778 10 10 DDCE CN(C)c1ccc(CNC(=O)NC[C@]2(CCO)CCOC2)cc1 127797975 SZWWTKBGZDPJJY-KRWDZBQOSA-N 321.421 1.341 10 10 DDCE O=S(=O)(Nc1ccc(O)c(F)c1)c1cnc(O)c(F)c1 312315046 AGAMFDXERNAHMM-UHFFFAOYSA-N 302.258 1.572 10 10 DDCE COC(=O)[C@@H]1CCN[C@H]1c1cc(Br)ccc1O 1952826274 WJLUXXKNUKAFOJ-LDYMZIIASA-N 300.152 1.978 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@@H](S(=O)(=O)Cc2ccc(N)cc2)C1 2367834944 WKEZSSRNETXIKC-CHWSQXEVSA-N 317.432 1.149 10 10 DDCE COc1ccc(CN(CCS(C)(=O)=O)C(C)C)c(O)c1 93708298 NCFYDHIMYAACMM-UHFFFAOYSA-N 301.408 1.656 10 10 DDCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1cc(Cl)c2c(c1)OCO2 90260127 XIHNHRQKOQLQEY-JTQLQIEISA-N 311.729 1.885 10 10 DDCE CNC(=O)NC[C@H]1CN(Cc2cc(C)c(C)cc2O)CCO1 529643452 PSPRFUBEZOWHIC-AWEZNQCLSA-N 307.394 1.139 10 10 DDCE COCC[C@@H](COC)NC(=O)NCc1ccc(N(C)C)cc1 811809395 QNUPAZYZFZSJJO-AWEZNQCLSA-N 309.410 1.603 10 10 DDCE CCOc1ccc(CN2CCO[C@@H](C(=O)C3CC3)C2)c(O)c1 811502423 SUQAOSOEMMDURL-MRXNPFEDSA-N 305.374 1.971 10 10 DDCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)C(C)(C)O 900292777 JYKFUUKOCRTFFZ-HNNXBMFYSA-N 308.422 1.621 10 10 DDCE COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](O)C1CC1 838896719 YLSJEMOXWAABJZ-CQSZACIVSA-N 313.781 1.792 10 10 DDCE CN(C)c1ccc(CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 830014171 VMVYZIBAMNWXHL-INIZCTEOSA-N 324.446 1.142 10 10 DDCE CNC(=O)[C@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 835047609 JHBQGHARJMWJBQ-YIEVGGLXSA-N 303.406 1.213 10 10 DDCE Nc1ccc(CCNC(=O)N[C@H](CO)c2ccsc2)cc1 841959257 LLMBDKHIIMYREO-CQSZACIVSA-N 305.403 1.906 10 10 DDCE COCCN1CC[C@@H](NC(=O)NCc2c(O)cccc2F)C1 919634460 JDTDZUOKURZKSQ-LLVKDONJSA-N 311.357 1.051 10 10 DDCE Fc1cc(CN2C[C@@H]3CCC[C@H](C2)N3)ccc1N1CCOCC1 843104938 NSZJDJMMUWKKKR-IYBDPMFKSA-N 319.424 1.989 10 10 DDCE CC[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@@H]1CCCCO1 848604260 XCMXSASZRISWDO-KGLIPLIRSA-N 305.378 1.671 10 10 DDCE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCc2ccccc2O)CC1=O 750639909 XVWNIIQJJRAWCG-KGYLQXTDSA-N 303.362 1.201 10 10 DDCE CC[C@](C)(O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854302038 WXQGYDRGDAPZRA-GUYCJALGSA-N 321.421 1.734 10 10 DDCE COC(=O)[C@]1(OC)CCN(Cc2cc3c(cc2O)CCC3)C1 863296815 LZXPBVQCVDDEGQ-KRWDZBQOSA-N 305.374 1.645 10 10 DDCE CCCNC(=O)CCC(=O)NCc1ccc2cccnc2c1O 862027889 ISRQBBUNBUUPST-UHFFFAOYSA-N 315.373 1.863 10 10 DDCE C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CN1 861568653 XOMRZTWDVIBBPV-WCQYABFASA-N 308.401 1.831 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc2[nH]cnc12 773745986 RUBHKZBEKCSKRT-SECBINFHSA-N 312.329 1.730 10 10 DDCE CN(C)c1ccc(/C=C/CN2CC(C3CS(=O)(=O)C3)C2)cc1 895423676 BACDAUDIFYYIRF-ONEGZZNKSA-N 320.458 1.742 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H](S(C)(=O)=O)C2)cc1Cl 2123338290 XGXMRXCFFXMTTR-MWLCHTKSSA-N 302.827 1.983 10 10 DDCE CO[C@H]1CC[C@H]1N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 1354383757 ORJOEADVAHAEKP-CABCVRRESA-N 319.405 1.005 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)c1ccsc1S(C)(=O)=O 1912148102 PCBPOUJBFUIFEL-UHFFFAOYSA-N 302.381 1.924 10 10 DDCE C[C@H](C(=O)OC(C)(C)C)S(=O)(=O)NCCCCN=[N+]=[N-] 1912205110 MRQOFYUXOPEIEU-SECBINFHSA-N 306.388 1.727 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1637129553 JWMHPXUNZVIELW-UGSOOPFHSA-N 324.336 1.624 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)[C@H]2CCN(C)C2)cc1C 1567079275 RNEQIGACCQJKKR-ZBFHGGJFSA-N 319.449 1.550 10 10 DDCE 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DDCE [N-]=[N+]=NC[C@H]1CCCCN(C(=O)[C@@H]2CCS(=O)(=O)C2)C1 1912147921 MSVPNOXAQWYVGE-GHMZBOCLSA-N 300.384 1.360 10 10 DDCE CS(=O)(=O)c1ccc(S(=O)(=O)CCCCN=[N+]=[N-])cc1 1912155837 MMQNKTMAIIPHIA-UHFFFAOYSA-N 317.392 1.954 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cnn(-c2ccncc2)c1 1445903778 UMYVHAVZKLLKBH-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE C[C@@H](NC(=O)c1cn(-c2cccnc2)nn1)c1ccccc1O 1471195653 KAAZWCDAMIPLGP-LLVKDONJSA-N 309.329 1.859 10 10 DDCE COc1ccc(CNCCN(C)C(=O)C2=CCOCC2)cc1C 1481223504 JCYVUTXHFXRXPB-UHFFFAOYSA-N 318.417 1.898 10 10 DDCE C[S@@](=O)C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1625953071 IRPJRUIPESGLCU-OAQYLSRUSA-N 308.363 1.490 10 10 DDCE COC[C@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC 1631630291 KRRUFQLMIMRGOO-AWEZNQCLSA-N 322.321 1.157 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)Cc1c(O)ncnc1O 1566305079 HYKBOPXTPFWBGA-UHFFFAOYSA-N 317.345 1.575 10 10 DDCE C[C@H](O)CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)CO 1638580587 MWXBIKWIUMOLES-ZJUUUORDSA-N 308.338 1.053 10 10 DDCE 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Cn1ncc(Br)c1C(=O)NCc1ccccc1O 822111800 NVCDSTZFDKVHLU-UHFFFAOYSA-N 310.151 1.818 10 10 DDCE CNCc1ccc(N2CC(C)(CS(C)(=O)=O)C2)c(Cl)c1 2173199069 FDQNMFAIUZBTBI-UHFFFAOYSA-N 316.854 1.930 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3C[C@H]4[C@@H](C3)C4(F)F)c2n1 2064358900 ZTBLSLWCCLTTJK-LETLQTKMSA-N 308.288 1.517 10 10 DDCE COc1ccc([C@@H](C)n2cc(C(=O)NC3CC3)c(O)n2)c(O)c1 2070639833 AJPCATNCTDJRPP-SECBINFHSA-N 317.345 1.804 10 10 DDCE C[C@H](O)c1ccc(N2CC(=O)NC[C@H]2C)cc1Br 2060844093 YGNNTOFZBYVODR-BDAKNGLRSA-N 313.195 1.827 10 10 DDCE Nc1c[nH]cc(Br)c1=NCCc1ccc(O)c(O)c1 2091752600 NUJQLUACMWXCNV-UHFFFAOYSA-N 324.178 1.914 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNc1ccc(N)cc1 2210495464 NITSPPMZEPVKED-RDBSUJKOSA-N 323.393 1.022 10 10 DDCE NCc1ccc(N2CCC[C@H]3CNC(=O)[C@@H]32)c(Br)c1 2264599226 OOWDGYHUACDJBZ-GXFFZTMASA-N 324.222 1.623 10 10 DDCE CSc1ncc(CNC(=O)CC2(N)CCN(C)CC2)s1 2284498163 LFTMVCKYTJWNIS-UHFFFAOYSA-N 314.480 1.294 10 10 DDCE Cn1cccc1C=C1C(=O)NC(=O)N(C2CCCCC2)C1=O 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COC(=O)/C=C/c1ccc(N2CCN(OC)CC2)c([N+](=O)[O-])c1 853671566 YUNMXHIAFCLLQM-GQCTYLIASA-N 321.333 1.464 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCc2n[nH]cc2C1 921506712 GAUJRZWNGJVIKC-SNVBAGLBSA-N 304.325 1.611 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)/C=C/[C@@H]3CCOC3)C2)cc1 855223124 FCMZTYUXMVGXEM-OJORPGRJSA-N 316.401 1.983 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)n3cccn3)C2)cc1 855231233 UQIPEGIHUPCSPF-ZIAGYGMSSA-N 314.389 1.848 10 10 DDCE COc1ccc(N(C)CC(=O)N2CCOC(C)(C)C2)c(OC)c1 930076262 FRNFBMAJDKDQAI-UHFFFAOYSA-N 322.405 1.777 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CCc3ncc[nH]3)C2)cc1 855225486 NRZQODVRLMESGL-ZDUSSCGKSA-N 314.389 1.746 10 10 DDCE CC[C@@H](NCC(C)(C)CS(N)(=O)=O)c1ccc(F)cc1O 866573784 YRMPDKCPEKEVRO-GFCCVEGCSA-N 318.414 1.887 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)CCOC(C)(C)C)c1 866850097 SEVJSCXFZMKRHP-UHFFFAOYSA-N 317.407 1.635 10 10 DDCE CCOCc1cc(CN[C@@H](C)c2nnc(O)n2C)ccc1OC 895182104 VUUWJSAHHKVKST-NSHDSACASA-N 320.393 1.917 10 10 DDCE COc1ccc(N2CCN(C(=O)CN3[C@@H](C)C[C@@H]3C)CC2)cc1 791565099 FBFKLODKNQTWPK-GJZGRUSLSA-N 317.433 1.827 10 10 DDCE C[C@H](NC(=O)N(C)CCCO)c1ccc(N2CCOCC2)cc1 799560787 NZQIJFFHYGMAPK-AWEZNQCLSA-N 321.421 1.608 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H](O)C[C@@H]2CO)cc1Br 698227800 KOCMJHXIHCQAGB-FBIMIBRVSA-N 315.211 1.401 10 10 DDCE CC1(C)C[C@@H](S(=O)(=O)Nc2ccc(O)c(Cl)c2)CN1 2127967288 NTLYWMOYXCUQBA-SECBINFHSA-N 304.799 1.928 10 10 DDCE CC1(C)CCCN(S(=O)(=O)N2CC[C@@H](CN=[N+]=[N-])C2)C1 1912194959 XATJPEIXMJOHJE-NSHDSACASA-N 301.416 1.985 10 10 DDCE COC(=O)c1occc1CNC(=O)/C=C\c1ccc(O)c(O)c1 1453580318 CGRLTGITKMPMTE-HYXAFXHYSA-N 317.297 1.807 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O 1451663339 CJLIGZIWRBVUNG-DFBGVHRSSA-N 303.406 1.230 10 10 DDCE C[C@@H](NC(=O)Cn1nc2ccccn2c1=O)c1ccccc1O 1454806098 MIEUGKVSPXLXDJ-LLVKDONJSA-N 312.329 1.079 10 10 DDCE CCCCOCCCNC(=O)CCN1C(=O)CSC1=S 1865765232 WTPRABYNDMTZIT-UHFFFAOYSA-N 318.464 1.560 10 10 DDCE CN(CCO)c1ccc(NC(=O)c2cccc(O)c2O)cc1 1545806651 NFDQTDABVPJWDA-UHFFFAOYSA-N 302.330 1.779 10 10 DDCE COc1cc(CC(=O)NCc2ccc(O)cc2O)ccc1O 1626838218 RZHSEWBWGWEISR-UHFFFAOYSA-N 303.314 1.671 10 10 DDCE C[C@@H](CS(C)(=O)=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1629022383 JNCJHPUIADEKSC-QMMMGPOBSA-N 312.351 1.012 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](CO)[C@H]2CO)cc1 1558468547 XQUYHNBTMWSTKG-WCQYABFASA-N 320.349 1.054 10 10 DDCE COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1ccc(C)c(O)c1O 1634287733 DHKSBXFARNKDCO-ZYHUDNBSSA-N 323.345 1.247 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@H](O)c1cnn(C)c1 1565701760 LWHYTYHOWNORTH-OAHLLOKOSA-N 302.378 1.144 10 10 DDCE Cn1c(=O)cc(C(=O)NCc2c(O)cccc2O)c2ccccc21 1647269435 FUYPVYUMONWELO-UHFFFAOYSA-N 324.336 1.880 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCc2nc[nH]c2C12CCC2 1643869355 BSVSLPYBWMLYRQ-UHFFFAOYSA-N 313.357 1.828 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cn(-c3cccnc3)nn2)c1 1640796970 TZXUZRXNVRQWDE-UHFFFAOYSA-N 309.329 1.606 10 10 DDCE c1cc(N2CCOCC2)ccc1CN[C@@H]1CCC2(C1)OCCO2 1662064991 YKXKKASNQOJRQF-MRXNPFEDSA-N 318.417 1.908 10 10 DDCE Oc1cc2c(cc1CN1CCN(c3nccs3)CC1)OCO2 14227464 JCQRWLCWCJEASP-UHFFFAOYSA-N 319.386 1.900 10 10 DDCE O=C1c2ccccc2C(=O)c2cc(N(CCO)CCO)ccc21 205085666 MORYVYBWTVLWSN-UHFFFAOYSA-N 311.337 1.253 10 10 DDCE COc1ccc(/N=N/N2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] 1860492018 APUYYEVNYGFRBX-FOCLMDBBSA-N 307.310 1.799 10 10 DDCE CN(Cc1c(O)cccc1Br)[C@@H]1CCC(=O)NC1 1970978261 SVWIHBRJSOBQTM-SECBINFHSA-N 313.195 1.865 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NCc2ccc(O)c(O)c2)C1 1985830018 WTRNRTFSVHEEBK-FZMZJTMJSA-N 324.377 1.168 10 10 DDCE C[C@H](CS(=O)(=O)N(C)C)N[C@H](C)c1ccc(O)cc1O 2151097383 DZSLJTRMDBFVAZ-NXEZZACHSA-N 302.396 1.028 10 10 DDCE CC(C)(CNCc1c(O)cccc1Br)C(N)=O 706855819 VXCYQWCNLJBAFT-UHFFFAOYSA-N 301.184 1.756 10 10 DDCE Oc1cccc(Br)c1CN1CCO[C@H]2CNC[C@H]21 686534380 GTWKAJMJZJIDQY-YPMHNXCESA-N 313.195 1.327 10 10 DDCE CN(CC(C)(C)S(C)(=O)=O)c1ccc(CN)c(F)c1F 713916528 JWCGUCVTLOVBIG-UHFFFAOYSA-N 306.378 1.683 10 10 DDCE CN[C@H](C)c1ccc(N2CC(C(N)=O)C2)cc1Br 723167605 SSZIOAAFJMGSRA-MRVPVSSYSA-N 312.211 1.651 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCN[C@H](c2ccncc2)C1 2064975561 WRUHSDJWJPTYOW-AWEZNQCLSA-N 313.357 1.208 10 10 DDCE COC(=O)c1c(C)nn([C@H](C)c2ccc(OC)cc2O)c1N 2079972658 XYZRWMVHXNPYHA-SECBINFHSA-N 305.334 1.884 10 10 DDCE C[C@H](O)c1cc(F)c(N2C[C@H]3C[C@H]2CS3(=O)=O)c(F)c1 2194514649 QFSDSWQNYPUTTJ-UJNFCWOMSA-N 303.330 1.394 10 10 DDCE C[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1COc1nnc(=N)[nH]n1 2210646516 KFDWEAOWFNDIAF-UWVGGRQHSA-N 324.385 1.094 10 10 DDCE Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)nc1N1CCCC1 36559173 RZMURGLKDKVASG-QJPTWQEYSA-N 320.353 1.111 10 10 DDCE C[C@H](NCCS(=O)(=O)C(F)(F)F)c1c(O)cccc1O 2232495562 UTFSIGOBKFKNIY-ZETCQYMHSA-N 313.297 1.683 10 10 DDCE COc1ccc(N(C)CCS(C)(=O)=O)c(C[C@@H](C)N)c1 2235968598 UENZAPFPGZYMOS-LLVKDONJSA-N 300.424 1.066 10 10 DDCE CCO[C@@H]1CNC[C@@H]1C(=O)NCc1cnc(SC)s1 2269089892 HNGREDLUAUQQQG-VHSXEESVSA-N 301.437 1.106 10 10 DDCE CC(C)CN1C(=O)C(=CNc2cccnc2)C(=O)NC1=S 2295113247 UYUGJXNBCIMGSE-UHFFFAOYSA-N 304.375 1.277 10 10 DDCE O=C(O)CN1C(=O)C(=Cc2ccc([N+](=O)[O-])cc2)SC1=S 2293024283 WMQLRTQCDXAEPQ-UHFFFAOYSA-N 324.339 1.881 10 10 DDCE Cc1cc(N2CC(S(=O)(=O)C(F)F)C2)ccc1[C@H](C)O 2285174941 JIIRDRKKFWPANO-VIFPVBQESA-N 305.346 1.874 10 10 DDCE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)NCCCO 2313681897 PWEBJHNZIUWQDY-UHFFFAOYSA-N 318.333 1.563 10 10 DDCE CO[C@H]1[C@@H](NCc2ccc(C)c(Br)c2O)C[C@H]1O 2327623895 MFEGKXKMVZOKJP-CWSCBRNRSA-N 316.195 1.701 10 10 DDCE COC[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)cc1)OC 272642445 CXQNUKQYOBHWKC-YOEHRIQHSA-N 308.422 1.835 10 10 DDCE COc1cccc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1O 825200345 DCZPDXBRGUZAQQ-TZMCWYRMSA-N 311.403 1.552 10 10 DDCE CO[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 823290983 BPABAJKIKGRQPQ-RDJZCZTQSA-N 318.417 1.955 10 10 DDCE C[C@@H](NC(=O)C[C@]1(O)CCCN(C)C1)c1ccc(N(C)C)cc1 907493280 PXULIRDIJBJWMO-RDTXWAMCSA-N 319.449 1.777 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCC1(CF)CCOCC1 836831283 WWYHGXXBQFFMIJ-DUXPYHPUSA-N 309.337 1.994 10 10 DDCE CCc1ccccc1-n1cc(C(=O)OCC(=O)C(C)=O)nn1 840674251 IZCGYZZLBLBFHS-UHFFFAOYSA-N 301.302 1.145 10 10 DDCE C[C@H](N)[C@@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 841852084 CLOTXMPTVZEHNS-VHSXEESVSA-N 304.419 1.782 10 10 DDCE CCCN1C[C@H](c2noc(Cc3ccc(N)cc3)n2)CC1=O 843241665 HDEVUMVPIWUGSY-GFCCVEGCSA-N 300.362 1.969 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCC2(COC2)C1 852683568 KKGYBMFICQNMRN-UHFFFAOYSA-N 317.433 1.433 10 10 DDCE O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cc(O)cs1 856083169 IGAGWSWVHFWZGQ-ZIAGYGMSSA-N 322.430 1.827 10 10 DDCE COc1ccc(O)c(CNCc2cn(C[C@@H]3CCOC3)nn2)c1 865463095 GYTWUVBMVIJUEY-LBPRGKRZSA-N 318.377 1.319 10 10 DDCE Cc1cc(=O)n(C)cc1NC(=O)/C=C\c1ccc(O)c(O)c1 779487473 GMJYFYIAGSPZDF-XQRVVYSFSA-N 300.314 1.757 10 10 DDCE C[C@@]1(C(F)(F)F)CN(C(=O)c2cccc(O)c2O)CCO1 871438759 UEVYSKSUNHNEPA-LBPRGKRZSA-N 305.252 1.891 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@]34COC[C@@H]3C4)C2)cc1 889327764 OXYSAUVDAHVSLT-DCGLDWPTSA-N 317.389 1.362 10 10 DDCE CCN1CC[C@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 1136546501 KPCJLZFNMABVQJ-KRWDZBQOSA-N 317.433 1.874 10 10 DDCE O=S1(=O)C=C[C@@H](NCc2c(O)cccc2Br)C1 706830540 ZOKHXHHSSTVSEF-MRVPVSSYSA-N 318.192 1.555 10 10 DDCE O=C(O)[C@H]1C[C@@H]1CNCc1ccc(Br)cc1O 715365620 VAOUVLCFXQHWTM-SCZZXKLOSA-N 300.152 1.965 10 10 DDCE CCO[C@H]1COCC[C@@H]1CC(=O)NCc1c(O)cccc1O 1156885259 BCTJVVIBCUQAQX-ABAIWWIYSA-N 309.362 1.546 10 10 DDCE C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C 1164261893 DOXUWYXTBPFYTO-AEJSXWLSSA-N 317.349 1.587 10 10 DDCE CP1(=O)CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 2115345005 ZJDYNELEVRBMER-UHFFFAOYSA-N 302.336 1.407 10 10 DDCE CC1(C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCS1 1329437724 PFCLXQUKYLNCQG-UHFFFAOYSA-N 320.414 1.588 10 10 DDCE CS(=O)(=O)N1CCC(CN2CCC[C@@H](N=[N+]=[N-])C2)CC1 1912176792 DYOMOAZNDQYNOO-GFCCVEGCSA-N 301.416 1.433 10 10 DDCE CC[C@@H](CNC(=O)C(C)C)NC(=O)c1cc(OC)nc(OC)c1 1285036867 HVMCMBIFFIOGSR-LBPRGKRZSA-N 323.393 1.379 10 10 DDCE COc1cc(/C=C2\SC(=S)N(NC(C)=O)C2=O)ccc1O 1108175 BDMAISSPHUKUBG-WDZFZDKYSA-N 324.383 1.653 10 10 DDCE C[C@@H](NC(=O)CCCn1c(O)nnc1O)c1ccccc1O 1454802603 BGLNEEPVBXATFS-SECBINFHSA-N 306.322 1.053 10 10 DDCE O=C(NCc1ccccc1O)c1cc2c(nc1O)CCC[C@@H]2O 1465990940 XYEIDNJBSHULON-HNNXBMFYSA-N 314.341 1.793 10 10 DDCE O=C(CNC(=O)c1cccs1)NCc1c(O)cccc1O 1472061004 CFJVYTTZCPTNJH-UHFFFAOYSA-N 306.343 1.206 10 10 DDCE O=C(Cc1cnc[nH]1)NCc1cccc(Br)c1O 1626822968 YHRQYHVJSBTTKY-UHFFFAOYSA-N 310.151 1.737 10 10 DDCE CCOc1ccc(N2CCN(C(=O)[C@@H](C)CC(N)=O)CC2)cc1 1630992909 ZRPCCTARDBKCLU-ZDUSSCGKSA-N 319.405 1.245 10 10 DDCE Cc1cccn2cc(CC(=O)NCc3ccc(O)cc3O)nc12 1570462182 HTLGJCXBXUNTGQ-UHFFFAOYSA-N 311.341 1.913 10 10 DDCE COC(=O)[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1C1CC1 1640458858 VFXIAHQTTHHBEK-QWHCGFSZSA-N 319.357 1.298 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)Cc2cnoc2)cc1C 1690614194 FJOTYADETQBFDQ-ZDUSSCGKSA-N 317.389 1.829 10 10 DDCE COc1cccc(/C=C2\SC(=S)N(NC(C)=O)C2=O)c1 5726199 FVUBHCXZXASJMF-XFFZJAGNSA-N 308.384 1.948 10 10 DDCE CCN1CCN(C(=O)CCNCc2ccc(N(C)C)cc2)CC1 1857863179 QMOYALHMEFGREI-UHFFFAOYSA-N 318.465 1.396 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CCON)Cc1ccc(O)c(O)c1 1951691977 SRURNQRUEBXIJI-NSHDSACASA-N 312.366 1.814 10 10 DDCE NC(=O)N[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C1 271343266 OOBAHBGQVHEENW-VIFPVBQESA-N 304.177 1.942 10 10 DDCE Oc1cc(F)ccc1CN(Cc1ccccc1)CC1(O)CNC1 1994457623 FFFFAVUFKRPASP-UHFFFAOYSA-N 316.376 1.868 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H](O)C(F)(F)C3)c(Cl)cc21 2152098296 LQLGFTDJXYKSRL-ZJUUUORDSA-N 303.696 1.108 10 10 DDCE COC[C@H]1CN(c2ccc(CO)c(Br)c2)CCO1 705823101 ABFFCTQZTIHGHK-GFCCVEGCSA-N 316.195 1.793 10 10 DDCE CCOC(=O)C(F)(F)CCS(=O)(=O)NCCCN=[N+]=[N-] 2178729374 KMKDNHZLHMGWPK-UHFFFAOYSA-N 314.314 1.195 10 10 DDCE COc1ccc(O)c([C@H](C)n2ncc(S(C)(=O)=O)c2N)c1 2070217256 HSVXBTVYDSLLDD-QMMMGPOBSA-N 311.363 1.192 10 10 DDCE CN([C@H]1CCOC[C@@H]1F)S(=O)(=O)Cc1ccc(N)cc1 2186749172 QYHFUVSYVBRXIN-STQMWFEESA-N 302.371 1.157 10 10 DDCE CC[C@@H](NCC[C@H](O)CO)c1cc(Br)ccc1O 2061858230 MKZMLAIEGAIIJA-CMPLNLGQSA-N 318.211 1.939 10 10 DDCE CN(C[C@H]1CCS(=O)(=O)C1)c1ccc(CO)c(Cl)c1 2092344589 ADJRIAXREHBQDC-SNVBAGLBSA-N 303.811 1.703 10 10 DDCE CCCS(=O)(=O)CCN(C)c1ccc(CO)c(OC)c1 2204544777 GWDFKVITZVEDGK-UHFFFAOYSA-N 301.408 1.449 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@H]2CC[C@@H](CN)C2)s1 2269280964 PEZBISHRAGHNQR-SCZZXKLOSA-N 321.493 1.412 10 10 DDCE CCCNC[C@H](C)S(=O)(=O)NCc1cnc(SC)s1 2269277683 DCBPMKPSZQOEIA-VIFPVBQESA-N 323.509 1.673 10 10 DDCE CN(C)c1ccc([C@](C)(N)c2nn(C)nc2Br)cc1 2227474526 UPFHXCILORCLES-ZDUSSCGKSA-N 324.226 1.866 10 10 DDCE CSc1ncc(CNC(=O)N[C@H]2C[C@H](C(=O)O)C2)s1 2269140462 YVDJBJMTRCDSNN-LJGSYFOKSA-N 301.393 1.527 10 10 DDCE C[C@H]1CC[C@H](S(C)(=O)=O)CN1Cc1cccc(F)c1O 2279354234 PMDSGGQUIWJVAE-JQWIXIFHSA-N 301.383 1.929 10 10 DDCE NC(=S)N1N=C(c2ccccc2O)C[C@@]1(O)C(F)(F)F 33413550 WAYNDXARUQSKST-SNVBAGLBSA-N 305.281 1.297 10 10 DDCE CCc1c(-c2ccoc2C)nn([C@@H]2CCS(=O)(=O)C2)c1N 37507709 COBGCFUJYZAZLJ-SNVBAGLBSA-N 309.391 1.956 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CCCC2(C1)OCCO2 184722552 ZITMFWFVERTCHK-UHFFFAOYSA-N 318.417 1.862 10 10 DDCE N[C@]1(c2cc(I)ccc2O)C[C@H]1C(=O)O 1952775216 NWWVSFWNIRCCBA-XVKPBYJWSA-N 319.098 1.255 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3CCCC[C@H]3N)CC2)cc1 321029085 UNZNQOBQSNXHNY-DLBZAZTESA-N 317.433 1.861 10 10 DDCE COc1cc(Cl)c(N2CCN(C)C[C@H]2CO)c(OC)c1 2368270179 JAVOKYCARPXMHU-JTQLQIEISA-N 300.786 1.470 10 10 DDCE O=S1(=O)CCC[C@@](O)(CNCc2cccc(Cl)c2O)C1 2368444720 PVGIDXBKKJMHEB-CYBMUJFWSA-N 319.810 1.075 10 10 DDCE NCc1cc(F)c(N2CCS(=O)CC2)cc1Br 383723309 YUJOSZYBTFOWOH-UHFFFAOYSA-N 321.215 1.616 10 10 DDCE CC[C@@](C)(CO)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255585026 FUSJBUHVVMTDFX-KKMIYCERSA-N 318.417 1.814 10 10 DDCE O=C1N[C@@H](CF)C(=O)N1Cc1ccc(N2CCSCC2)cc1 806672086 NOKWULXNLVQTFT-ZDUSSCGKSA-N 323.393 1.630 10 10 DDCE COc1cc(N2CC[C@](O)(C(F)F)C2)c([N+](=O)[O-])cc1OC 828752360 WCXUKRDZEOYSCA-CYBMUJFWSA-N 318.276 1.818 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 907273552 MDAXZZYXVXXXRQ-WNMQOVRZSA-N 305.374 1.960 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]12C[C@@H]1COC2(C)C 831931798 URNDNEGVTUBDJF-HSOHIQCKSA-N 305.374 1.960 10 10 DDCE COc1ccc(CNC(=O)COC2CCC(N)CC2)c(O)c1 832178427 RKNRWODNKNJPBL-UHFFFAOYSA-N 308.378 1.304 10 10 DDCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)NCc5ccc(O)cc5O)[C@H]1[C@H]3[C@@H]42 910946002 HNRDPYHVRKBLRL-CREWJEJQSA-N 311.337 1.041 10 10 DDCE O=C(/C=C\COC1CCOCC1)NCc1ccc(O)cc1O 910954914 AQBWJQYYKXNWIQ-UPHRSURJSA-N 307.346 1.466 10 10 DDCE C[C@@H](O)[C@@H]1CN(Cc2cccc(Br)c2O)CCO1 840977604 LCLISIGVBUEZSS-SKDRFNHKSA-N 316.195 1.736 10 10 DDCE Nc1ccc(CC(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H](N)CCO2)cc1 846700664 WDHVAIFDSRHQJI-BBWFWOEESA-N 317.433 1.699 10 10 DDCE COc1ccc(N2CCN(C(=O)N[C@H](C)[C@@H](C)N)CC2)cc1F 842000891 OFYZEUWNHMPHIM-VXGBXAGGSA-N 324.400 1.402 10 10 DDCE CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)c2cccc(O)c2O)C1 855354012 QJXPGBGCTAXTBY-DMDPSCGWSA-N 309.362 1.394 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCC3(C)COC3)C2)cc1 852103908 VFAHGUMGFMCIGO-ZDUSSCGKSA-N 319.405 1.610 10 10 DDCE C[C@@H]1CCCN1S(=O)(=O)NNc1nc2cccnc2s1 857225868 VOUIURHPVHSOBA-MRVPVSSYSA-N 313.408 1.337 10 10 DDCE COC(=O)C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1C 928175538 BQUZMJVXJIVKKX-CBHWHFHUSA-N 319.357 1.769 10 10 DDCE Cc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)c(O)c1O 854643456 YGQITTVNTIETBD-ZIAGYGMSSA-N 320.389 1.341 10 10 DDCE COCCc1cc(NC(=O)NCc2cc(C)ccc2O)n(C)n1 860794517 DAEBPDXOKBZDAB-UHFFFAOYSA-N 318.377 1.945 10 10 DDCE NC(=O)c1coc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c1 779239684 KCQRCYCPVLFYIS-RQOWECAXSA-N 302.286 1.119 10 10 DDCE O=C(NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42)c1cc(O)cs1 787928753 YXELWRQZOGKZMY-GDESDELKSA-N 317.410 1.692 10 10 DDCE CN(c1ccc(CN)c(F)c1)[C@@H]1CCCS(=O)(=O)CC1 694215972 VJUZQMFYJDFIMQ-GFCCVEGCSA-N 300.399 1.688 10 10 DDCE CC(C)C(=O)N1CCC(C(=O)NCc2c(O)cccc2O)CC1 1304050323 LAUBIIIKUHEGRC-UHFFFAOYSA-N 320.389 1.609 10 10 DDCE C[C@@H](Sc1nncn1C)C(=O)NCc1cc(O)ccc1O 1303223526 SXVPSIXITICACN-MRVPVSSYSA-N 308.363 1.023 10 10 DDCE CCC[C@@H](C)N1C[C@H](C(=O)NCc2cc(O)ccc2O)CC1=O 1176748679 ZKULQWGQEDFVQM-DGCLKSJQSA-N 320.389 1.751 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H](S(C)(=O)=O)C2)c(Cl)c1 2123338626 ZBTIYPJJIHUYCT-ONGXEEELSA-N 302.827 1.983 10 10 DDCE COc1cc(S(=O)(=O)N2CCC(CN=[N+]=[N-])CC2)sn1 1912145749 KWJHKSFIKDYGGG-UHFFFAOYSA-N 317.396 1.863 10 10 DDCE CN(Cc1nc(=O)n(C)[nH]1)c1ccc(-c2nccs2)cc1 1460206248 FAPRIWPXWZOSAT-UHFFFAOYSA-N 301.375 1.868 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)CCN1CC[C@H](F)C1 1465409071 NKOGQJNKLNDBFN-ZDUSSCGKSA-N 321.396 1.912 10 10 DDCE CC[S@@](C)(=O)=NC(=O)c1cc(NS(C)(=O)=O)ccc1O 1558468135 TXKLLOONZVKDAU-LJQANCHMSA-N 320.392 1.022 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCn2ncnc21 1638347792 MKUPJNIBKXVZDO-JQWIXIFHSA-N 316.361 1.314 10 10 DDCE CCO[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)[C@]12CCCO2 1633709531 CBZFQJQNKKMSLA-BFYDXBDKSA-N 321.373 1.483 10 10 DDCE COc1cc(C(=O)N[C@@H](C)C[C@H](C)NC(C)=O)cc(OC)n1 1735563580 LNUSDMSOOIUCKM-UWVGGRQHSA-N 309.366 1.132 10 10 DDCE COc1cc(CNC[C@@H]2CCCO2)ccc1N1CCNCC1 211632121 CCBJZRODFGSNPX-HNNXBMFYSA-N 305.422 1.373 10 10 DDCE CCC(=O)N(C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1735162476 DIQCUDIOCWRFKN-JTQLQIEISA-N 319.365 1.836 10 10 DDCE O=C(C[C@H]1NC(=O)c2ccccc21)NCc1c(O)cccc1O 1652625931 OHMNWBOLAPENOC-CYBMUJFWSA-N 312.325 1.589 10 10 DDCE COc1ccc(CNC/C=C\CNC(=O)c2nc[nH]n2)cc1C 1669097078 OUIFRPUYPXIVGY-ARJAWSKDSA-N 315.377 1.198 10 10 DDCE COc1cc(C)cc(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c1O 164347371 SZDWDLHMQUXNSR-RYUDHWBXSA-N 313.419 1.717 10 10 DDCE CCS(=O)(=O)N1CCC(NCc2cccc(F)c2O)CC1 164941212 YCWUHMXNSYADLC-UHFFFAOYSA-N 316.398 1.435 10 10 DDCE CN(C)c1ccc(CNCC(=O)N2CCC[C@H](C(=O)O)C2)cc1 1857865209 AMSPAMKKYGICJE-AWEZNQCLSA-N 319.405 1.165 10 10 DDCE CS(=O)(=O)N[C@H]1CCCN(Cc2ccc(F)cc2O)C1 1964601342 SYYLEVJJJPNPGF-LBPRGKRZSA-N 302.371 1.045 10 10 DDCE NC(=O)Cn1cc(NCc2cc(Cl)cc(Cl)c2O)cn1 36998621 KXEAATVYFBHZPK-UHFFFAOYSA-N 315.160 1.993 10 10 DDCE CO[C@H]1COC[C@H]1NCc1cc(Br)ccc1O 2008134449 NJRPYMMZJZKZPU-PWSUYJOCSA-N 302.168 1.658 10 10 DDCE NCc1ccc(N2C[C@H]3[C@@H](O)C[C@H]3C2)c(F)c1Br 2033970254 FFDKKKCVTKJESW-NGZCFLSTSA-N 315.186 1.864 10 10 DDCE C[S@](=O)CCC[S@@](=O)CCCOc1ccc(N)cc1 320240986 XNERRCQFAHRBIC-OALUTQOASA-N 303.449 1.555 10 10 DDCE NC(=O)N1CC[C@H](NCc2c(O)cccc2Br)C1 706883681 VRRRVTMJZBALES-QMMMGPOBSA-N 314.183 1.397 10 10 DDCE Cn1nc(O)cc1C(=O)NCc1c(O)ccc2c1CCCC2 2063459969 PSZVAVPXVIGPTD-UHFFFAOYSA-N 301.346 1.640 10 10 DDCE CCc1cc(C(=O)N(C)C)n(Cc2cccc(OC)c2O)n1 2070080537 HUJLFMYNFQFKCI-UHFFFAOYSA-N 303.362 1.910 10 10 DDCE CC(C)S(=O)(=O)C[C@@H](C)N[C@@H](C)c1c(O)cccc1O 2170584907 GQBURAXOBWHTJD-MNOVXSKESA-N 301.408 1.960 10 10 DDCE Nc1ccc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)cc1Br 2049783816 BFHWLMIQZGJYNK-XWEPSHTISA-N 311.179 1.911 10 10 DDCE C[C@@H](CS(=O)(=O)N(C)[C@H](C)c1ccccc1O)C(N)=S 2192598297 NOLMPYHOKRDUFX-VHSXEESVSA-N 316.448 1.637 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H](CO)Cc1ccccc1 2308006183 ZEDIKGIJHWRQTP-OAHLLOKOSA-N 313.353 1.831 10 10 DDCE Cc1ccc(CN[C@@H]2CCC(=O)NC2)c(O)c1Br 2327612770 OXIDTHHLAJMCOS-SNVBAGLBSA-N 313.195 1.831 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)Cn2nnnc2C(C)C)c1 175344063 PXZODBUJPUSIDP-JTQLQIEISA-N 319.365 1.388 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc([C@@H]2COCC(=O)N2)c(O)c1 1952420556 WITUHAVSAAKFMG-NSHDSACASA-N 308.334 1.927 10 10 DDCE COC(=O)c1c(O)cc2c(c1C)C(=O)c1c(O)cccc1C2=O 13334446 OWMIPWWYWUGBCG-UHFFFAOYSA-N 312.277 1.968 10 10 DDCE biogenic CSc1ncc(CNC(=O)N2C[C@@H]3C[C@H]2[C@@H]3C(=O)O)s1 2359404034 RPGCPSJZOOUSSO-CNUIFLNQSA-N 313.404 1.480 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CF)[C@H](N)Cc1ccc(O)c(O)c1 1953012872 PPRXHEFCYWWZJH-MNOVXSKESA-N 314.357 1.830 10 10 DDCE Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1F 130835931 ZYNUXOOQGZQAMA-UHFFFAOYSA-N 310.306 1.937 10 10 DDCE C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCS1 130576483 CQXYOUMTKBLYEG-QMMMGPOBSA-N 309.347 1.867 10 10 DDCE COc1ccc(CN2CCC(C)(C)S(=O)(=O)CC2)c(O)c1 195200250 DAJLLJCUBOQTAT-UHFFFAOYSA-N 313.419 1.800 10 10 DDCE CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)C(C)=O 808537402 NUMSRCKHPUOOLT-GFCCVEGCSA-N 307.302 1.865 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](O)Cc1cccc(C(F)(F)F)c1 808540054 LYVPCUFMTRTGFQ-LLVKDONJSA-N 318.247 1.310 10 10 DDCE C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1cccc(O)c1O 804375848 ULHUWDHTZPWNBG-OIBJUYFYSA-N 305.252 1.890 10 10 DDCE CC(C)COc1ccccc1NC[C@H](O)CN1CCOCC1 819416082 LTICPQLSNBHHIR-HNNXBMFYSA-N 308.422 1.826 10 10 DDCE NC(=O)[C@H]1CCN(C(=O)/C=C\c2cnccn2)c2ccccc21 492285694 ACNYEDYOOGTFLI-GXMNPTEKSA-N 308.341 1.496 10 10 DDCE COc1ccc(N(C)C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 844352766 GYXKBXGGLIJGAU-CYBMUJFWSA-N 312.435 1.803 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 844858911 BSHVRHZNNRKPDM-RXSFTSLZSA-N 307.419 1.167 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCC[C@]3(CCNC3)C2)c1O 843123941 SLGVZRYBPYDJOW-MRXNPFEDSA-N 321.377 1.885 10 10 DDCE COCc1cc(O)ccc1NS(=O)(=O)c1c(C)noc1C 840915630 RQYKDQIJJPQLBH-UHFFFAOYSA-N 312.347 1.944 10 10 DDCE COc1cc(N2CCN(C[C@H](C)CO)CC2)cc(OC)c1OC 759876781 CCUCFAIJQJLIRE-ZDUSSCGKSA-N 324.421 1.463 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3[nH]c(O)nc3C)C2)cc1 855224495 KZRYDFQYIRKCLK-LLVKDONJSA-N 316.361 1.441 10 10 DDCE COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1cc(F)ccc1O 862516577 VDWRZUJHLQCGGO-BXUZGUMPSA-N 311.353 1.979 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1C[C@@H](C(N)=O)C1 931265502 GQQNVPOUNVPLFR-FZNQNYSPSA-N 303.406 1.219 10 10 DDCE CC[C@@H](C)NC(=O)COc1ccc(N(C)C)c(C(=O)OC)c1 865396328 OKKOAJUFXKBSJN-LLVKDONJSA-N 308.378 1.833 10 10 DDCE CN1CCN(c2ccc(CNC[C@@H]3CCCO3)cc2F)CC1 1118485239 WMPJFJDAGNBONN-HNNXBMFYSA-N 307.413 1.846 10 10 DDCE Nc1ccc(Cn2nc(-c3cccs3)c(=O)[nH]c2=O)cc1 82720955 PQWBRSJBSOVUCY-UHFFFAOYSA-N 300.343 1.291 10 10 DDCE Oc1c(F)cc(Br)cc1CNCc1nn[nH]n1 715719378 DCXMDAKLBQAHCR-UHFFFAOYSA-N 302.107 1.097 10 10 DDCE O=C(NCc1ccc(-c2nncnn2)cc1)c1cccc(O)c1O 1300221184 IMCZREQYKLLGDI-UHFFFAOYSA-N 323.312 1.275 10 10 DDCE CNCc1ccc(N2[C@H]3CC[C@H]2C(=O)NC3)c(Br)c1 2115749312 FDKJTGFMNFSPBZ-GWCFXTLKSA-N 324.222 1.636 10 10 DDCE Cc1cc(O)ccc1NS(=O)(=O)c1cccc(C(N)=O)c1 1319026565 FUUDJQYNKLIHGJ-UHFFFAOYSA-N 306.343 1.600 10 10 DDCE CCC(C)(C)[C@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1 1329838905 VOXUQONWUYXGPF-LBPRGKRZSA-N 305.422 1.868 10 10 DDCE C[C@H]1CC[C@@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CN1 1348437321 VVJVAPOINPTZEV-GOEBONIOSA-N 320.456 1.808 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N1CCCCC[C@@H](N)C1 1351984193 WDKGDSWDVJQZHC-CQSZACIVSA-N 319.405 1.081 10 10 DDCE CCCO[C@@H]1CS(=O)(=O)C[C@H]1N1CC[C@H](CN=[N+]=[N-])C1 1912203646 FQVMWYYFOUPJDX-IJLUTSLNSA-N 302.400 1.211 10 10 DDCE C[C@@H](O)c1ccc(N(C)[C@H]2CCNC2=O)c(Br)c1 1916797904 DCQLFPKSNSRHKR-PELKAZGASA-N 313.195 1.827 10 10 DDCE O=C(NCc1c(O)ccc2ccccc12)c1cnn(CCO)c1 1456308934 LDYICGVXRHBVOI-UHFFFAOYSA-N 311.341 1.664 10 10 DDCE Nc1nc(N)nc(NCc2cc(Cl)cc(Cl)c2O)n1 1612448644 TXYLBNACCOHCNV-UHFFFAOYSA-N 301.137 1.661 10 10 DDCE COc1cc(CC(=O)NCc2cccc(OC)c2O)ccc1O 1622773077 UXGFAGWJCAZIMM-UHFFFAOYSA-N 317.341 1.974 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCNC(=O)OCC 1640259958 LNRQLRICSGQJCB-UHFFFAOYSA-N 315.366 1.630 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H]([C@@H](C)O)C3)c(Cl)cc21 167821951 MRYFPHXJYKFVNP-NUPCCRGMSA-N 309.797 1.760 10 10 DDCE C[C@@H](CS(=O)(=O)N(C)Cc1ccccc1O)C(N)=S 1877529989 YMDLLIBDMQLYCB-VIFPVBQESA-N 302.421 1.076 10 10 DDCE O=[N+]([O-])c1cc2c(cc1N1CCC[C@@H]1C1OCCO1)OCCO2 2144183518 DQAQSGKZNNPIFG-SNVBAGLBSA-N 322.317 1.708 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](NCc2ccc(Cl)cc2O)C1 1964039988 ZWEQUALKQNPMDU-GFCCVEGCSA-N 318.826 1.559 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](CC(=O)O)c1cc(O)nc(O)c1 1951948838 RNBCINUZUIWQRG-VIFPVBQESA-N 312.322 1.576 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980368897 DDFQQUWASHHRIJ-CYDGBPFRSA-N 324.421 1.945 10 10 DDCE O=S1(=O)C[C@H]2CCN(c3c(F)cc(CO)cc3F)[C@@H]2C1 2151271499 FVWMTNYNPPYKCC-BXKDBHETSA-N 303.330 1.080 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1CCNC[C@@H]1CO 2016909051 ZWMITLLTQADKSI-LDYMZIIASA-N 300.200 1.414 10 10 DDCE C[C@@H](c1cc(Cl)ccc1O)N1C[C@H]2C[C@H]1CS2(=O)=O 319993385 YOKAUKWKAORPES-INTQDDNPSA-N 301.795 1.978 10 10 DDCE CN(CCOc1ccc(N)cc1)CC(C)(C)S(C)(=O)=O 713943553 GKLBSRGHDJFVPU-UHFFFAOYSA-N 300.424 1.403 10 10 DDCE Cn1cc(COc2cc(F)cnc2N)c(Br)n1 723404670 PXDVCVVDWDUGFM-UHFFFAOYSA-N 301.119 1.878 10 10 DDCE CN(C[C@H]1OCC[C@H]1F)S(=O)(=O)Cc1ccc(N)cc1 2179095434 HSSQGPLATRKRHD-CHWSQXEVSA-N 302.371 1.157 10 10 DDCE Nc1ccc(OCCC(=O)NC2CCC3(CC2)OCCO3)cc1 2191650235 ONDGEYOACDKHCV-UHFFFAOYSA-N 320.389 1.840 10 10 DDCE CS(=O)(=O)C[C@H]1CCN(c2ccc(CO)c(Cl)c2)C1 2087365101 RSNOHCOWEWYXIP-JTQLQIEISA-N 303.811 1.703 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CCOc1nnc(=N)[nH]n1 2210648617 XWOAGUCDYASVKS-NXEZZACHSA-N 324.385 1.141 10 10 DDCE Cn1nc(Br)c(CN2CCC(N=[N+]=[N-])CC2)n1 2214383004 NBILSIWTIIGVFY-UHFFFAOYSA-N 300.164 1.852 10 10 DDCE CN[C@@H]1CCN(Cc2c(Br)ccc(OC)c2O)C1 2220452498 WEZFNBQJVLKJAY-SECBINFHSA-N 315.211 1.957 10 10 DDCE C[C@@H](O)c1ccc(N2CC(O)(CCO)C2)c(Br)c1 2258285724 DLIHLLBGJYFXFP-SECBINFHSA-N 316.195 1.436 10 10 DDCE CC[C@@H](C)N1C(=O)/C(=C/Nc2cc(C)on2)C(=O)N=C1S 102716164 JNEXYUDPIAXNRX-TUOMEMKJSA-N 308.363 1.732 10 10 DDCE CC(C)(C)NS(=O)(=O)N1CCN(c2ccc(N)cc2)CC1 126053202 DJSKPZNBYGJODZ-UHFFFAOYSA-N 312.439 1.024 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cn2ccnc2s1 188694172 BLMORUGQEOWWAG-UHFFFAOYSA-N 303.343 1.780 10 10 DDCE COc1cc(Cl)c(N2CCN(C)C[C@@H]2CO)c(OC)c1 2368270180 JAVOKYCARPXMHU-SNVBAGLBSA-N 300.786 1.470 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(=O)c(OC)co1 819760500 DXRDEJAXBGVAJB-UHFFFAOYSA-N 324.329 1.770 10 10 DDCE CN(Cc1ccccc1O)C(=S)NCCN1CCOCC1 917581433 BYHOJMKOBJEFIO-UHFFFAOYSA-N 309.435 1.031 10 10 DDCE C[C@@H]1CCn2cc(C(=O)NCc3ccc(O)cc3O)nc2C1 910958306 YSIVOSRNXUNDJI-SNVBAGLBSA-N 301.346 1.807 10 10 DDCE C[C@H]1CN(c2ccc(CNC3=NCCCN3)cc2F)C[C@@H](C)O1 750543257 HWXAHXISXHMTRY-BETUJISGSA-N 320.412 1.878 10 10 DDCE C[C@@H](NC(=O)N1CC[C@@H](F)[C@H](N)C1)c1ccc(N(C)C)cc1 851659908 XLKCVYYFHJYAKN-KCPJHIHWSA-N 308.401 1.894 10 10 DDCE CN(Cc1ccccc1O)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 926651126 PFUVUBBDWPAPNW-NFAWXSAZSA-N 306.362 1.338 10 10 DDCE COc1cccc([C@H](C)N[C@@H]2CCc3nnn(C)c3C2)c1O 927145442 XHKIXSCGINZIBL-WDEREUQCSA-N 302.378 1.737 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)CCCN)C2)cc1 851665916 FRLRIOANOWJQHU-UONOGXRCSA-N 320.437 1.701 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 869587848 SODWTKXOQFMHMF-TXEJJXNPSA-N 319.357 1.615 10 10 DDCE CC(C)Cn1cccc(C(=O)NCc2cccc(O)c2O)c1=O 1520508689 JGHAYXGTZFKIHU-UHFFFAOYSA-N 316.357 1.846 10 10 DDCE CC(=O)C(=O)[C@H](O)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C 1919368282 LCTYLYQLUJBNMG-DGCLKSJQSA-N 301.383 1.692 10 10 DDCE Cn1ccnc1CNC(=O)c1cc2cc(O)c(O)cc2s1 1464828064 RFLQBWPRJNLNPG-UHFFFAOYSA-N 303.343 1.976 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)ccc21 1542389478 BVIZMLKVPQOFEG-CABCVRRESA-N 315.417 1.587 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCCN(CC(F)F)C1 1558175559 VSGPSUVGCSHXGD-SNVBAGLBSA-N 314.332 1.691 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](CO)Cc1ccco1 1625269827 MRIUKCGTVJJJHB-LBPRGKRZSA-N 305.330 1.201 10 10 DDCE CCOCCNC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1498204006 RKAOEFXSHRYHRJ-NSHDSACASA-N 321.381 1.593 10 10 DDCE O=C(NCc1cnc(O)[nH]1)c1cc2cc(O)c(O)cc2s1 1638162840 UDQANCWPHROURG-UHFFFAOYSA-N 305.315 1.671 10 10 DDCE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCCCF 1662430233 SXPVKSMJRQJDBY-SNVBAGLBSA-N 309.345 1.917 10 10 DDCE CN(CCN=[N+]=[N-])CCN1CCN(C(=O)OC(C)(C)C)CC1 1962286771 CSNZHQQVCJGDHG-UHFFFAOYSA-N 312.418 1.781 10 10 DDCE COc1ccc(CN[C@@H](C)CCNC(=O)CNC(C)=O)cc1C 1690829837 IYSKLTQWQGEEKM-ZDUSSCGKSA-N 321.421 1.124 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@H]2C[C@@H]3CSC[C@@H]3C2)cc1 2161047725 ZORRPIDCXPZKAX-IMRBUKKESA-N 312.460 1.830 10 10 DDCE CN(C)C[C@H]1C[C@@H](O)CN1c1cc(Cl)c(CN)cc1F 2177376513 GCZFEFPVKKKJMY-GHMZBOCLSA-N 301.793 1.439 10 10 DDCE C[C@@H]1CNCCN1C(=O)C=Cc1ccc(N2CCOCC2)cc1 2053879043 VSXJAAYVMKFBTR-OAHLLOKOSA-N 315.417 1.357 10 10 DDCE NCc1ccc(N2CC(CS(=O)(=O)C(F)F)C2)cc1F 2173183444 GUVMQTJIEZGMHP-UHFFFAOYSA-N 308.325 1.358 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCOC34CCCC4)c2n1 2062382104 QVHVRHRKJNCVKX-GFCCVEGCSA-N 316.361 1.575 10 10 DDCE CCN(c1ccc(CN)c(F)c1F)[C@H](C)CS(C)(=O)=O 2170424752 LINXUSQVZODCMR-SECBINFHSA-N 306.378 1.683 10 10 DDCE Cn1c(C2=C[C@@H](O)[C@H](N)C2)nc2ccc(Br)cc21 2067752630 ARPKRXFHPAXXMD-BXKDBHETSA-N 308.179 1.811 10 10 DDCE Cn1cc(NC(=O)Cc2ccc(N)cc2)c(Br)n1 2223053013 ZVWPCILLJGWUGF-UHFFFAOYSA-N 309.167 1.946 10 10 DDCE CSc1ncc(CNC[C@H](N)[C@@H](O)C(F)(F)F)s1 2257131724 BEJMUJBPAGVDKU-NKWVEPMBSA-N 301.359 1.205 10 10 DDCE CO[C@H](C)[C@H](NC(=O)NCc1cnc(SC)s1)C(=O)O 2284504584 NSADQVRZYWTEPS-SVRRBLITSA-N 319.408 1.152 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@@H]1CCCOC1 2297505495 YEHDVBJHTSGWAN-MRXNPFEDSA-N 316.401 1.832 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NCCNC(=O)c1ccco1 2307987417 AYDWOAAXXNGZHP-UHFFFAOYSA-N 316.313 1.250 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1CCCN(C2CC2)CC1 2307996598 WTBABAVWDUPBRN-UHFFFAOYSA-N 302.374 1.808 10 10 DDCE Cc1ccc(CN(C)[C@H]2CNC[C@H]2O)c(O)c1Br 2327801497 SEWWIIXZENDCGR-WDEREUQCSA-N 315.211 1.228 10 10 DDCE NCc1cc(F)c(N2CCC[C@H]2C(N)=O)cc1Br 310630753 JHERALXAROKPPZ-JTQLQIEISA-N 316.174 1.501 10 10 DDCE COc1ccc(N2CCC(NC(=O)NCC[C@@H](C)O)CC2)cc1 114828286 QCKFDSJEFBFDMG-CYBMUJFWSA-N 321.421 1.734 10 10 DDCE O=C1c2ccccc2C(=O)c2c1cccc2C(=O)N1CCOCC1 120384762 GTRAQVUOBWNDLN-UHFFFAOYSA-N 321.332 1.934 10 10 DDCE CC(=O)NC[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)CCO1 180284023 RFCGNGGFXHUGJL-CQSZACIVSA-N 312.797 1.691 10 10 DDCE COC(=O)c1nc(NN(C)S(=O)(=O)C2CCC2)sc1C 2365277033 UDJWTTYOFVBDSH-UHFFFAOYSA-N 319.408 1.379 10 10 DDCE C[C@@H](N)c1ccc(N2CCCNC(=O)C2)c(Br)c1 87884400 YONBERQMENYLQU-SECBINFHSA-N 312.211 1.795 10 10 DDCE CCCN[C@@H](C)c1ccc(N(C)CCS(C)(=O)=O)cc1O 94298822 XDLSIWQVQXABHK-LBPRGKRZSA-N 314.451 1.934 10 10 DDCE CCOc1cccc(CN2CCS(=O)(=O)C(C)(C)C2)c1O 93735416 JJPFIRRFMNWCQE-UHFFFAOYSA-N 313.419 1.800 10 10 DDCE CO[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)[C@H]1CCOC1 827955450 IPSOZBFPNADJGG-GOEBONIOSA-N 306.406 1.729 10 10 DDCE COc1cc(O)c(CN2C[C@@H](N)[C@H](C(F)(F)F)C2)cc1OC 903982118 KTHNVIXRPGOBAQ-NXEZZACHSA-N 320.311 1.731 10 10 DDCE C[C@@H]1CNC[C@H]1CN(C)Cc1ccc(N2CCOCC2)cc1 903441387 PWXWFBVTTWLBRW-WBVHZDCISA-N 303.450 1.811 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@](O)(CO)C1 838478959 NZWAHADZLOSEAR-KRWDZBQOSA-N 321.421 1.090 10 10 DDCE Cc1ccc(C(=O)N2CC[C@@H]([C@H](O)C(F)(F)F)C2)c(O)c1O 837036774 IYJDUMFUVJVKIN-PELKAZGASA-N 319.279 1.792 10 10 DDCE CC[C@H]1NC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O 849358275 UIILTBCZHQYYIX-GXTWGEPZSA-N 303.362 1.604 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@@H]3C(=O)O)ccc21 911301015 DJAKXKQOCUOTBE-KGLIPLIRSA-N 302.374 1.796 10 10 DDCE Cc1ccc(C(=O)NCc2ncc3c(n2)CCOC3)c(O)c1O 846368095 YUQMKRMIGJQPAB-UHFFFAOYSA-N 315.329 1.199 10 10 DDCE C[C@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)c2ncnn21 851662704 GYMZRFWFZQYNMF-GWCFXTLKSA-N 300.366 1.408 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3CC(C)=NO3)CC2)cc1 854198365 IBHJXALVTBKERM-HNNXBMFYSA-N 303.362 1.509 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCCOC(C)C)C2)cc1 852253309 VVWGLRMFBSTZCH-CQSZACIVSA-N 321.421 1.998 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H](C)C[C@H]3COCCN3)C2)cc1 854216718 DHRYTJMZQQWIRA-JYJNAYRXSA-N 319.449 1.631 10 10 DDCE CCOC(=O)N[C@H](Cc1ccccc1)C(=O)OCC(=O)C(C)=O 869603402 SZWFYMFWJJKDFT-CYBMUJFWSA-N 321.329 1.045 10 10 DDCE CC1=C(C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1118945899 LPHRUURPXYZHRT-UHFFFAOYSA-N 300.358 1.803 10 10 DDCE c1cc(N2CCOCC2)ccc1CN[C@@]12CCC[C@@H]1NCC2 873229825 HDTMPVKAESEIKT-ZWKOTPCHSA-N 301.434 1.897 10 10 DDCE Fc1cc(N2CCNCC2)ccc1CNCc1cccnc1 84827241 RLTDRNSUWYOLEB-UHFFFAOYSA-N 300.381 1.920 10 10 DDCE O=C1C[C@H](c2cccc(NC(=O)c3cccc(O)c3O)c2)CN1 790898718 BMLMOJQEFQOTJL-NSHDSACASA-N 312.325 1.954 10 10 DDCE CCC(=O)NCCNCc1ccc(Br)cc1O 691500119 AZGHHJZJZHVSNY-UHFFFAOYSA-N 301.184 1.771 10 10 DDCE Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc(Cl)ccc1O 1146232971 OIMGLHBMGVWWKD-UHFFFAOYSA-N 322.708 1.861 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1cc(Cl)ccc1O 697036744 LSNMEHWNZZHXIB-AAEUAGOBSA-N 319.810 1.289 10 10 DDCE CCOC1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1351857044 RDJWGPLBWNFMCP-UHFFFAOYSA-N 318.373 1.262 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CC=C[C@@H]3CO)c(Br)cc21 2119815053 IDIPQLICYAJFOL-JMCQJSRRSA-N 324.178 1.138 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4COC[C@@H]43)c(Br)cc21 2129807455 FEQPRANZBHSDAI-LNCSFIOASA-N 324.178 1.236 10 10 DDCE C[C@H](NCc1nc(O)c2c(n1)CCOC2)c1ccc(F)cc1O 1331972736 NVSQJSNYIKGIDV-VIFPVBQESA-N 319.336 1.950 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CNC(C)(C)C)C2)cc1 1331230641 RTAOXKZZMLPIQH-CYBMUJFWSA-N 305.422 1.778 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2ccnnc2)cc1C 1265829408 AGLVUZJRFDYMDU-ZDUSSCGKSA-N 314.389 1.702 10 10 DDCE CN(C)c1ccc(NC(=O)c2cc(O)cs2)c(C(N)=O)c1 1446336520 KZSNOTCRQMGLGK-UHFFFAOYSA-N 305.359 1.871 10 10 DDCE Cn1nccc1[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CCO1 1449690718 GKSDRYLZHNFKDK-IINYFYTJSA-N 317.345 1.481 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]1(O)CCOC1 1463810330 QXSNZPGYBZCSNV-QGZVFWFLSA-N 304.390 1.397 10 10 DDCE COc1cc([C@H](CN)CNC(=O)OC(C)(C)C)cc(O)c1O 1535974068 HWHAOUUULXIIBC-SNVBAGLBSA-N 312.366 1.673 10 10 DDCE COC[C@H](C)C(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1662180302 RZSHYMVZTMUZKF-KBPBESRZSA-N 308.422 1.880 10 10 DDCE CCO[C@H](C)C(=O)N(C)CCNCc1ccc(OC)c(C)c1 1663830011 QPMJREMZYVKCKZ-CQSZACIVSA-N 308.422 1.977 10 10 DDCE C[C@H](NC(=O)N[C@@H](CO)c1ncc[nH]1)c1ccc(N(C)C)cc1 1671851890 MHEFTIXJJLLQMQ-FZMZJTMJSA-N 317.393 1.570 10 10 DDCE CC[C@H](NC1CCN(C[C@H](O)COC)CC1)c1ccccc1O 156969801 DLUWQUBPHKDGIE-RDJZCZTQSA-N 322.449 1.905 10 10 DDCE NCc1ccc(N2CC[C@H](NC(N)=O)C2)cc1Br 700695359 FLKYEHLPCVFPFZ-VIFPVBQESA-N 313.199 1.155 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CC(CF)C3)c(Br)cc21 2041176445 IVPBVWHRYCNIIO-LLVKDONJSA-N 314.158 1.807 10 10 DDCE NCc1cc(F)c(N2CCO[C@@H](CO)C2)cc1Br 310681216 MMOPAOQHAOXBAH-SECBINFHSA-N 319.174 1.244 10 10 DDCE C[C@@]1(CO)C[C@H](O)CN1c1ccc(CN)c(Br)c1 698197295 JAYCOSRHTLPQSW-AAEUAGOBSA-N 315.211 1.230 10 10 DDCE Oc1cccc(F)c1Cn1ncnc1I 2070063718 XGGIIUNRYKWDKA-UHFFFAOYSA-N 319.077 1.776 10 10 DDCE Oc1ccc(CN[C@@H]2CCCC3(CC2)OCCO3)c(O)c1O 2095748694 RWHDGUUKDSIYSG-GFCCVEGCSA-N 309.362 1.969 10 10 DDCE CC[C@H](CNC)NCc1cc(Br)c(O)cc1O 2248028631 MJWIXLQZAYXTBV-SECBINFHSA-N 303.200 1.948 10 10 DDCE COC(=O)N[C@H](C)CNCc1cccc(Br)c1O 2261469966 RZGABPZOLVCLEQ-MRVPVSSYSA-N 317.183 1.989 10 10 DDCE Cc1ccc(CN2CCNNCC2)c(O)c1Br 2307482852 SZEUHSOZMHPZJM-UHFFFAOYSA-N 300.200 1.373 10 10 DDCE Cc1ccc(CNC(=O)CC2CNC2)c(O)c1Br 2327594325 MHXUTBYQXJXMKR-UHFFFAOYSA-N 313.195 1.689 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)c(Cl)c1 2336469978 CRKZFCUIQIJXEK-DFAYQTQMSA-N 300.811 1.593 10 10 DDCE COc1cc(Br)cc([C@@H]2CNCC(=O)N2C)c1O 1952521018 SLXAUMPXMFYWQT-VIFPVBQESA-N 315.167 1.266 10 10 DDCE Nc1ccc(OC[C@@H](O)Cn2ccc(C(F)(F)F)n2)cc1 51327377 ATJKAOKMCHKSEI-JTQLQIEISA-N 301.268 1.924 10 10 DDCE CNC(=O)[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C 178408870 IGMOMQHKQRWNSJ-CQSZACIVSA-N 324.400 1.462 10 10 DDCE CN(Cc1ccc(N)cc1)S(=O)(=O)CCc1ccncc1 37663237 ZWSVVUXUVFYUTE-UHFFFAOYSA-N 305.403 1.668 10 10 DDCE CC(C)(CNC(=O)c1cccc(O)c1O)C(=O)N1CCCC1 530085870 ZIFBKHOHARYMFC-UHFFFAOYSA-N 306.362 1.476 10 10 DDCE CC[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@]2(CCOC2)O1 366521155 QNEGWPYKNCORIT-BZNIZROVSA-N 307.346 1.508 10 10 DDCE CC1(C)CN(Cc2cc3c(cc2O)OCO3)C[C@]2(CCOC2)O1 280264419 MAQYYLVEEORZHH-KRWDZBQOSA-N 321.373 1.891 10 10 DDCE COCCNCc1ccc(N(C)CC[S@@](C)=O)c(Cl)c1 399097039 QSDASIOOBQMUKM-HXUWFJFHSA-N 318.870 1.891 10 10 DDCE CC(C)NCCS(=O)(=O)N(C)[C@@H](C)c1ccccc1O 722241931 RPBSDVJSVHTEKW-LBPRGKRZSA-N 300.424 1.713 10 10 DDCE C[C@@H](NC(=O)c1n[nH]cc1F)c1ccc(N2CCOCC2)cc1 900387003 NUMMMMYRLSXRIG-LLVKDONJSA-N 318.352 1.876 10 10 DDCE COC[C@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CCOC1 826136454 BJZCABXIWCFYBR-GOSISDBHSA-N 319.401 1.940 10 10 DDCE COC(=O)[C@@H]1[C@@H](O)CCCN1C/C=C\c1ccc(N(C)C)cc1 835045737 POGBXMBJHGCPRH-QKVQGTQPSA-N 318.417 1.764 10 10 DDCE C[C@@H](O)[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCO1 840978758 PLXGGERLWRARGB-CXAGYDPISA-N 324.396 1.244 10 10 DDCE CCN1C[C@H](CN(C)c2cc(OC)c(OC)c(OC)c2)OC1=O 846807105 UBHSFTXLHJBLFQ-LBPRGKRZSA-N 324.377 1.989 10 10 DDCE C[C@H](NC[C@]1(O)CCCOC1)c1ccc(N2CCOCC2)cc1 851897595 QMHYDQJQTYQUCU-MAUKXSAKSA-N 320.433 1.715 10 10 DDCE CN(Cc1ccccc1O)C(=O)NCCOC1CCOCC1 927499616 WUGIKXQOKXCGQN-UHFFFAOYSA-N 308.378 1.729 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H](C)[C@@H]3[C@H]4CN[C@H]3C4)C2)cc1 925713101 IWKAFQBDYUOOCW-BKZBBRBJSA-N 301.434 1.860 10 10 DDCE O=C(Cc1cnn2c1CCCC2)NCc1ccc(O)c(O)c1 866768388 AHAKDWJAJITAMR-UHFFFAOYSA-N 301.346 1.490 10 10 DDCE COC(=O)[C@@]1(OC)CCN(Cc2cc(OC)c(C)cc2O)C1 863298516 YYQKDUFDSLPGIA-MRXNPFEDSA-N 309.362 1.473 10 10 DDCE O=C1O[C@H]2CNC[C@H]2N1C1CCN(Cc2ccccc2O)CC1 863641987 HKMDOQNJBVEZJE-ZBFHGGJFSA-N 317.389 1.149 10 10 DDCE C[C@H](NCc1cc(C(N)=O)co1)c1cc([N+](=O)[O-])ccc1O 779069781 ZTVGZGNKCHDOIA-QMMMGPOBSA-N 305.290 1.843 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNCCCn2ccnn2)c1O 775060272 IKXDBWOFAXZMRW-UHFFFAOYSA-N 307.310 1.080 10 10 DDCE Cc1cc(Br)c(O)c(CNC[C@H]2COCCO2)c1 781627184 PUGMANKDRNQOHT-NSHDSACASA-N 316.195 1.968 10 10 DDCE C[C@H](NC(=O)[C@]1(C)CCC(=O)NC1)c1ccc(N(C)C)cc1 798501069 FRZWPSXPZIEOMW-YVEFUNNKSA-N 303.406 1.846 10 10 DDCE COc1ccc([C@H](C)NCC(C)(C)S(C)(=O)=O)c(O)c1 93522915 CDUBUXIEKATQGL-JTQLQIEISA-N 301.408 1.875 10 10 DDCE COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CCCO2)cc1C 1320958103 YOVAEERNYAVBQW-IDOMTICXSA-N 318.417 1.945 10 10 DDCE C[C@H](NC(=O)C(=O)NC[C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1 1327678022 MRWYTNDGIORDFR-DYEKYZERSA-N 303.406 1.702 10 10 DDCE C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCO1 1335474820 JTTSPJCYZSUJRL-ZDUSSCGKSA-N 319.405 1.006 10 10 DDCE COC(=O)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)CC(C)C 1617905005 BBERFSFISUYGJZ-LBPRGKRZSA-N 309.362 1.592 10 10 DDCE CCN1CC[C@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 1544896729 GLHDVDGNFDYXPZ-KRWDZBQOSA-N 317.433 1.828 10 10 DDCE COC(=O)c1coc(/C=C/C(=O)NCc2c(O)cccc2O)c1 1639292558 HZJTYUCFQRJEBD-AATRIKPKSA-N 317.297 1.807 10 10 DDCE CN(C)c1ccc([C@@H](CNC(=O)NC2CSC2)N(C)C)cc1 1684611250 ARZXPEGPTFDSOP-OAHLLOKOSA-N 322.478 1.770 10 10 DDCE CO[C@H](C)CNC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1699434228 ZXIDXJBKIHAVRT-WDEREUQCSA-N 321.381 1.592 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@@H](Cn3cccn3)C1)OCO2 152830844 BLAOCOMCZCYTAA-CYBMUJFWSA-N 317.345 1.218 10 10 DDCE CCOc1ccc(N2CCN(CC3(O)CCOCC3)CC2)cc1 1252965905 NUEALXRRXOVOHX-UHFFFAOYSA-N 320.433 1.749 10 10 DDCE C[C@H](CS(=O)(=O)N(C)C)NCc1ccc(F)c(F)c1O 1970571815 UYDXOKZUCSJWGF-MRVPVSSYSA-N 308.350 1.040 10 10 DDCE CN1CCc2cc([C@H](N)[C@@H](O)CNC(=O)OC(C)(C)C)ccc21 1977944663 JAOONDVXSHHLDE-GJZGRUSLSA-N 321.421 1.564 10 10 DDCE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)COc2ccc(N)cc2)C1 2152083861 QHCBSGWAEQRLDO-SWLSCSKDSA-N 320.389 1.648 10 10 DDCE C[C@@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)C[C@H]1F 2152807753 UDTIJEHKKSMLLT-ZWNOBZJWSA-N 302.371 1.267 10 10 DDCE CO[C@@H]1C[C@@H](CN)N(Cc2ccc(Br)cc2O)C1 2030282887 YUMWBCOVTXVSDP-NWDGAFQWSA-N 315.211 1.703 10 10 DDCE C[C@H]1CN(S(=O)(=O)Nc2ccc(O)c(Cl)c2)C[C@H](C)N1 2161239042 GQXQLTFVFLOLNA-IUCAKERBSA-N 319.814 1.385 10 10 DDCE CNC(=O)C(C)(C)NCc1c(O)cccc1Br 706831953 XHBGJJUIZVLHPO-UHFFFAOYSA-N 301.184 1.769 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCn3ncnc3C2)c1 2062118578 LGCSPJVFVILIKF-WDEREUQCSA-N 316.361 1.432 10 10 DDCE CCS(=O)(=O)CCN(C)c1c(F)cc([C@H](C)O)cc1F 2194514691 QQIBXRMFEWJSLZ-VIFPVBQESA-N 307.362 1.889 10 10 DDCE COc1ccc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(CO)c1 2236000612 AYCPBXJVAZZCDR-WDEREUQCSA-N 301.408 1.445 10 10 DDCE O=C(O)C1=NN(c2ccc(F)cc2Br)C(=O)C1 2248111758 QWOMGXADWMYBCO-UHFFFAOYSA-N 301.071 1.766 10 10 DDCE CN1C(=O)NC(=O)C(=Cc2ccccc2Br)C1=O 2297506362 LGUPECCZMHOAAK-UHFFFAOYSA-N 309.119 1.541 10 10 DDCE C[C@H](NCC(C)(C)NS(C)(=O)=O)c1ccc(N(C)C)cc1 109041385 AFMVRKWEKCXADF-LBPRGKRZSA-N 313.467 1.731 10 10 DDCE CCOC(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H](N=[N+]=[N-])[C@H]1O 309717796 LFRBCTNPGRAUIN-RGOKHQFPSA-N 314.342 1.503 10 10 DDCE O=C(O)C1CCN(c2ccc(CN3CCOCC3)cc2)CC1 71702272 HPXDJSUKPYRENQ-UHFFFAOYSA-N 304.390 1.820 10 10 DDCE C[C@@H](NC=C1C(=O)NC(=S)NC1=O)c1cccc(Cl)c1 48392279 ZQFAYMDOKHJBEJ-SSDOTTSWSA-N 309.778 1.405 10 10 DDCE COc1cc(Cl)c(N2CCCO[C@H](CN)C2)c(OC)c1 2368106452 BKEGTNLBDYKYDJ-LLVKDONJSA-N 300.786 1.911 10 10 DDCE COC(=O)N1CCN(C(=O)N(C(C)=O)c2ccc(N)cc2)CC1 240620091 ABYGHSKCPODYFJ-UHFFFAOYSA-N 320.349 1.126 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C[C@H]1N(C)C 251752356 LJVKOWSXUYHZDD-GFWSLJDESA-N 308.813 1.678 10 10 DDCE CCn1nccc1S(=O)(=O)NCc1cccc(OC)c1O 274664657 PVKUGSHHQQFFHE-UHFFFAOYSA-N 311.363 1.096 10 10 DDCE CC(=O)C(=O)COC(=O)CC1(NC(=O)OC(C)(C)C)CCC1 808523417 PTFSHTBQKNQKDV-UHFFFAOYSA-N 313.350 1.525 10 10 DDCE O=C(COc1ccsc1)OCC(=O)c1ccc(O)c(O)c1 800309988 UOXPIBRLUBVBKI-UHFFFAOYSA-N 308.311 1.964 10 10 DDCE CC[C@H](O)CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 822785857 FYWZSSHAPMRCBW-BBRMVZONSA-N 306.406 1.861 10 10 DDCE Cc1ccc(C(=O)N2CC[C@H]([C@@H](O)C(F)(F)F)C2)c(O)c1O 837036812 IYJDUMFUVJVKIN-QPUJVOFHSA-N 319.279 1.792 10 10 DDCE CCC(=O)N[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 914603185 FMMVZJILLKEMFV-ZDUSSCGKSA-N 319.405 1.259 10 10 DDCE Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(O)c1O 832831282 HLXXSYFWXNHDES-JBLDHEPKSA-N 304.346 1.132 10 10 DDCE C[C@H](NC[C@H]1CCCCN1CCO)c1cc([N+](=O)[O-])ccc1O 834850625 OFESADSFHVQBOX-GXTWGEPZSA-N 323.393 1.798 10 10 DDCE C[C@@H](O)[C@@H]1CN(Cc2cc(Br)ccc2O)CCO1 840980431 ZPVQHJWYZRNMLJ-RNCFNFMXSA-N 316.195 1.736 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)C[C@H](C)NC(N)=O)cc1 848243213 GJOFWJAFHVTTDW-LBPRGKRZSA-N 322.409 1.037 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 858722732 TZJZNSPYQTXBJR-PCGIRMHASA-N 322.317 1.779 10 10 DDCE O=C(COCC(F)F)NCc1ccc(N2CCOCC2)cc1 858724284 NDIPKZKGIRUJRU-UHFFFAOYSA-N 314.332 1.421 10 10 DDCE COc1cccc(CNC(=O)[C@@H]2CCn3cc(C)nc3C2)c1O 860240229 DFJWYJVHVZVAIA-GFCCVEGCSA-N 315.373 1.785 10 10 DDCE C[C@@H](O)[C@@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 865740617 JHMNLXINDYRRKG-WBMJQRKESA-N 323.393 1.416 10 10 DDCE CN(C)c1cc(F)c(CN[C@H](C(=O)O)c2cnn(C)c2)cc1F 864511984 UWGWOCNHWKHLJQ-AWEZNQCLSA-N 324.331 1.680 10 10 DDCE O=C(NCC(=O)N1Cc2cccc(O)c2C1)NCc1ccco1 871200835 JXYZIEYYCKSZTH-UHFFFAOYSA-N 315.329 1.327 10 10 DDCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)N5Cc6cccc(O)c6C5)[C@@H]4[C@H]3[C@@H]12 871204746 JMVJPTUJQLMJBZ-ODLNDPDBSA-N 307.349 1.561 10 10 DDCE O=C1OC[C@@]2(CNCc3cccc(Cl)c3O)COCCN12 872263107 WEMPATNBWSWOIQ-CQSZACIVSA-N 312.753 1.356 10 10 DDCE Cc1cnc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(O)c1 779068808 CYWMYQZUWJNWIM-JTQLQIEISA-N 302.330 1.868 10 10 DDCE COc1cccc(O)c1CN1C[C@H](O)CC2(CCOCC2)C1 895722627 YBFNBNYFGYLTBP-CYBMUJFWSA-N 307.390 1.764 10 10 DDCE COc1cc(C)cc(CN2CN(CCN(C)C)C(=O)[C@@H]2C)c1O 895083482 AHDRFNWMILEETK-ZDUSSCGKSA-N 321.421 1.261 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCC[C@]2(O)CCCOC2)cc1 1300218163 YUEIYCKGTVIAMH-OAHLLOKOSA-N 320.349 1.510 10 10 DDCE C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]1C1CC1)c1ccc(N(C)C)cc1 1329311730 IYWUJYZHEZEEIY-XFBWCDHKSA-N 315.417 1.845 10 10 DDCE CN1C[C@H]2[C@@H](NC(=O)/C=C/c3ccc(O)c(O)c3)CC[C@H]2C1 1347598266 WAFVRVMSZKZEHD-DQHJZZHNSA-N 302.374 1.567 10 10 DDCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)CNC(C)=O)cc1C 1505548148 UMMFYECNUAWZRX-QWHCGFSZSA-N 321.421 1.123 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCO[C@@]2(CCSC2)C1 1445857811 ZSRWRQMFIVPOSR-WBMJQRKESA-N 323.414 1.811 10 10 DDCE C[C@H](CNC(=O)OC(C)(C)C)[C@H](O)[C@H](N)c1ccccc1O 1920129880 IKYSGXKGPJDQFA-HONMWMINSA-N 310.394 1.914 10 10 DDCE CCCCN(C)C[C@@H]1OC[C@H](NCc2ccccc2O)[C@@H]1O 1614976599 OVNBSGAWBBHKFS-XIRDDKMYSA-N 308.422 1.342 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2ccn(C)n2)cc1C 1493793578 JROHGJHFDFWSLK-UHFFFAOYSA-N 316.405 1.599 10 10 DDCE C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)Cc1ccc(O)c(O)c1 1634893661 NHMUBYWRUNRTQN-JSGCOSHPSA-N 304.390 1.726 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NCc1nc(N)n[nH]1 1637749581 VRWSRUISNBSEMA-UHFFFAOYSA-N 304.354 1.214 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NCc1ccc(N)cc1 1930405125 QISHVPDTHZFYCL-ZIAGYGMSSA-N 307.394 1.651 10 10 DDCE Cn1cncc1CCNC(=O)c1ccc(N=NC(N)=O)cc1 1567517443 PPPYIYLTQJBRFL-UHFFFAOYSA-N 300.322 1.555 10 10 DDCE O=C(C[C@H](O)c1cccc(F)c1)NCc1c(O)cccc1O 1645363153 NWYNGWMZWKWUFJ-HNNXBMFYSA-N 305.305 1.977 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@]23CCCN(CC2)C3)cc1 1644098815 UKGVVOARXCUAOJ-HNNXBMFYSA-N 301.350 1.817 10 10 DDCE CC(C)(C)OC(=O)NC[C@@]12CN(CCN=[N+]=[N-])C[C@@H]1CCO2 1962461186 WWHRGQULJRRXOA-SMDDNHRTSA-N 311.386 1.912 10 10 DDCE CCc1nnc(NC(=O)CN2C(=O)[C@H](C)SC2=S)s1 11635452 MXGFWAYWLFSRJM-YFKPBYRVSA-N 316.433 1.288 10 10 DDCE Cc1ccc(NS(=O)(=O)CCOc2ccc(N)cc2)cn1 164547511 YVGDKIBOMMPHCD-UHFFFAOYSA-N 307.375 1.793 10 10 DDCE Nc1ccc(OCC(=O)NCCNOCc2ccccc2)cc1 1989370679 ZEMOSCLQAQQAAQ-UHFFFAOYSA-N 315.373 1.485 10 10 DDCE C[C@H](O)[C@@H](CO)NCc1cc(Cl)cc(Br)c1O 2005854370 KRTBWCCAOMBSTR-QUBYGPBYSA-N 324.602 1.639 10 10 DDCE NC[C@@H]1C[C@@H](O)CN1Cc1cc(Br)ccc1O 2010534578 LWCNDWLPSLBROG-WDEREUQCSA-N 301.184 1.049 10 10 DDCE O=C(O)[C@H]1COCCN1Cc1c(O)cccc1Br 706628768 ZAYRZKOMFMKIHP-SNVBAGLBSA-N 316.151 1.440 10 10 DDCE Oc1c(Br)cccc1CN[C@H]1CCOC[C@H]1O 706777613 HGGUPPICPAGPSN-WDEREUQCSA-N 302.168 1.394 10 10 DDCE C[C@@H]1CCSCCN1S(=O)(=O)Cc1ccc(N)cc1 385374494 QXUIXKFTFHDUGD-LLVKDONJSA-N 300.449 1.926 10 10 DDCE C[C@H]1CC[C@@H](C2OCCO2)N(CC(=O)c2ccc(O)c(O)c2)C1 2165133856 KEZMCXZUSVEVKI-AAEUAGOBSA-N 321.373 1.754 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCn3ncnc3C2)c1 2062118576 LGCSPJVFVILIKF-MNOVXSKESA-N 316.361 1.432 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCC3(O)CCCCC3)c2n1 2063992056 XNWVYKYQBAVMDM-UHFFFAOYSA-N 304.350 1.168 10 10 DDCE CNCc1ccc(N(CCS(C)(=O)=O)C2CC2)c(F)c1 2170152421 KOSBKUNXMSQABN-UHFFFAOYSA-N 300.399 1.559 10 10 DDCE NCc1ccc(N2C[C@@H]3[C@H](CO)C[C@H]3C2)cc1Br 2053981746 JZODAKLJYIWTEV-GVXVVHGQSA-N 311.223 1.972 10 10 DDCE Nc1ccc(CNS(=O)(=O)c2c(N)cccc2Cl)cc1 2191638558 UZKFIKRQAIAEMQ-UHFFFAOYSA-N 311.794 1.983 10 10 DDCE C[C@H](N)c1csc(NS(=O)(=O)Cc2ccc(N)cc2)n1 2203122300 BOCJSTMHLVNFMJ-QMMMGPOBSA-N 312.420 1.687 10 10 DDCE C[C@@H](N)c1ccc(N2CC(O)(CCO)C2)cc1Br 2258288966 NSXREPWIBZZFKH-SECBINFHSA-N 315.211 1.402 10 10 DDCE COCc1nnc(Sc2ncc(C(=N)NO)s2)s1 2264166214 QIEGWGDTJSCJOF-UHFFFAOYSA-N 303.394 1.596 10 10 DDCE CCCCCN(CC(N)=O)C(=O)C=Cc1ccc(O)c(O)c1 2308081983 USRYYWRJXLXLDQ-UHFFFAOYSA-N 306.362 1.615 10 10 DDCE O=C1C(=Cc2ccc([N+](=O)[O-])s2)SC(=S)N1CCO 2323676391 RBMBSSNYHCRBES-UHFFFAOYSA-N 316.385 1.850 10 10 DDCE CCOC(=O)N1CCN(N=Nc2ccc(C(N)=O)cc2)CC1 2330154731 CJZQIVLPVXTSIX-UHFFFAOYSA-N 305.338 1.558 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc2cc(N)ccc2s1 2339765680 AICBHPUOMXOEJM-UHFFFAOYSA-N 300.409 1.877 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CCn4ccnc4C3)c(Cl)cc21 118706353 FGTRQPFTSYMPLX-ZDUSSCGKSA-N 303.753 1.509 10 10 DDCE O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1CCCO 210384546 DLIMYYSNAWLSNF-YRNVUSSQSA-N 311.384 1.681 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)NC1CCC(O)CC1 184204980 PWDVRPSRBBGZCD-UHFFFAOYSA-N 319.405 1.965 10 10 DDCE CC(=O)N(C(=O)N[C@H]1CC(=O)N(C(C)C)C1)c1ccc(N)cc1 217287830 ZAQUWMUHPCXPEV-ZDUSSCGKSA-N 318.377 1.341 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](O)Cc1ccccc1 180855483 IQFCHKBUDZMXLL-HEWZJLJBSA-N 313.353 1.831 10 10 DDCE O=S(=O)(O)c1cccc(NC(=S)NCc2ccccn2)c1 243532552 OEGBDGWXFCMMPN-UHFFFAOYSA-N 323.399 1.815 10 10 DDCE C[C@H](N)CCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255029356 NRQQPASPWHQWRU-ZBKLQPJUSA-N 303.406 1.390 10 10 DDCE COc1cc2c(c(OC)c1OC)CN(C)CCN2CC(=O)O 527432030 MXXNQXQOFRHPHO-UHFFFAOYSA-N 310.350 1.049 10 10 DDCE CC(C)[C@@](C)(CO)NCC(=O)NCc1ccc(N(C)C)cc1 839606512 FYQYOVWYTGXIDS-QGZVFWFLSA-N 307.438 1.365 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NCCc2cn(C)cn2)c1 838744013 ZKMOEAGOTANULR-NSHDSACASA-N 318.377 1.737 10 10 DDCE C[C@@]1(C(=O)NCc2cc(Cl)ccc2O)CCCS1(=O)=O 911899278 UYKWKRUWIYZPNF-ZDUSSCGKSA-N 317.794 1.629 10 10 DDCE Nc1nccc([C@@H]2CCCN(C(=O)c3cc(O)cs3)C2)n1 846651450 SSCAXFSYKDJCFJ-SECBINFHSA-N 304.375 1.846 10 10 DDCE CCN(CC)c1ccc([C@@H]2NC(=O)[C@H](COC)N2C)cc1F 840831415 IOCJRHZDGKBKNE-LSDHHAIUSA-N 309.385 1.747 10 10 DDCE CC[C@H](CN1CCOCC1)NC(=O)N1Cc2cccc(O)c2C1 925615655 HGTSRYNOXJSJIM-CQSZACIVSA-N 319.405 1.528 10 10 DDCE CCOCCOCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855230597 QAKOVUVADXPDJB-AWEZNQCLSA-N 322.405 1.443 10 10 DDCE CN(C)c1ccc(CNC(=O)CN[C@H](CO)C2CCC2)cc1 852320174 GTRVHMHCXQBVON-MRXNPFEDSA-N 305.422 1.119 10 10 DDCE COC[C@@H](NC(=O)NCc1cc(C)ccc1O)C1CCOCC1 858601882 LWIBQDDQUKLFFT-OAHLLOKOSA-N 322.405 1.941 10 10 DDCE CNC(=O)NC[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1 859490055 VSOONLJZIZCLIV-OAHLLOKOSA-N 320.437 1.191 10 10 DDCE O=C(NCc1cc(Br)ccc1O)[C@@H]1[C@H]2COC[C@H]21 854442176 JESGQBKJLZYWQO-IAZYJMLFSA-N 312.163 1.663 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3nccn3C)C2)cc1 853817654 JDPMUKCYHPQNRJ-GFCCVEGCSA-N 300.362 1.437 10 10 DDCE COC[C@H](NCc1cc2c(cc1O)OCO2)C1CCOCC1 850350337 APPDCSCVYXGQGU-ZDUSSCGKSA-N 309.362 1.652 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](N)C3CCC3)C2)cc1 852843842 IHRICUXAKAYHGM-BBRMVZONSA-N 303.406 1.518 10 10 DDCE COCCN1CCC[C@H]1CNC(=O)N[C@H](C)c1ccccc1O 868281331 OTILOQZJXCGJFM-KGLIPLIRSA-N 321.421 1.863 10 10 DDCE C[C@@H](NC[C@]12COCCN1C(=O)OC2)c1cc(F)ccc1O 866520824 IGPYFTBTOREXEN-MEBBXXQBSA-N 310.325 1.403 10 10 DDCE O[C@H](CNCc1ccc(N2CCOCC2)cc1)c1cccnc1 771975986 GQOYEKHWIHMWDQ-GOSISDBHSA-N 313.401 1.741 10 10 DDCE CN(C)c1ccc(OCc2cn(C[C@H]3CCOC3)nn2)cc1 871744794 ACBLKIBEMZFDHX-CYBMUJFWSA-N 302.378 1.960 10 10 DDCE COC(=O)c1c(CNCCN2CCC2)c2cc(F)ccc2n1C 894354293 KGFIXKAYKPMDKM-UHFFFAOYSA-N 319.380 1.899 10 10 DDCE COc1cc(CN2C[C@H](C)O[C@H](C)C2)ccc1N1CCNCC1 212637936 FQBKCJIJEFTMTE-GASCZTMLSA-N 319.449 1.714 10 10 DDCE COC(=O)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1629310999 ZUBKHBRGQBMENM-UHFFFAOYSA-N 315.325 1.995 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1O 1635970615 GCGMZTSYGLKYGZ-JTQLQIEISA-N 313.375 1.137 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ncoc1[C@@H]1CCCO1 1643104221 QSQCHQTVNDSXEV-LBPRGKRZSA-N 304.302 1.867 10 10 DDCE Cc1nn(CC(F)F)cc1C(=O)NCc1c(O)cccc1O 1597579052 HBMDNWNXIDSQPE-UHFFFAOYSA-N 311.288 1.798 10 10 DDCE CC(C)(C)OC(=O)N(CCO)C1CCN(CCN=[N+]=[N-])CC1 1962302830 CPVBSEKKGWJYIP-UHFFFAOYSA-N 313.402 1.991 10 10 DDCE CS(=O)(=O)[C@@H]1CSCCN1c1ccc(CN)c(F)c1 135229764 CJTQRQCLMFLJQJ-GFCCVEGCSA-N 304.412 1.208 10 10 DDCE O=C1CSC(=S)N1CCC(=O)N1CCOc2ccccc21 1865769040 SZFJLRZNZYAZKY-UHFFFAOYSA-N 322.411 1.662 10 10 DDCE CC[C@H](NCC[C@@H](O)CO)c1cc(Br)ccc1O 1967553674 MKZMLAIEGAIIJA-PWSUYJOCSA-N 318.211 1.939 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NCc1ccc(O)c(O)c1O 1984415091 LLVYLNKIYZODOQ-GHMZBOCLSA-N 324.377 1.806 10 10 DDCE C[C@@H](N)c1ccc(N2CC([N+](=O)[O-])C2)c(Br)c1 2016888098 VVARTAIOJLRHEK-SSDOTTSWSA-N 300.156 1.934 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCc2cccs2)cc1 70490563 DCEDJPDFPKMOQS-UHFFFAOYSA-N 312.416 1.829 10 10 DDCE [N-]=[N+]=NCCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] 313605123 BVJMGVPSJPIQTE-UHFFFAOYSA-N 303.275 1.713 10 10 DDCE NCc1cnn(Cc2cccc(F)c2O)c1Br 2070337563 WFDCOHHJTUHPNP-UHFFFAOYSA-N 300.131 1.997 10 10 DDCE Nc1cc(Br)cc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)c1 2049785337 ZFGOXVAYQQNLKW-GVJMRKKJSA-N 311.179 1.911 10 10 DDCE NC(=O)[C@@H]1CCC[C@@H]1NCc1cccc(Br)c1O 2053788546 IPWNJRMPYIJZKF-KOLCDFICSA-N 313.195 1.898 10 10 DDCE NCc1ccc(N2CCC[C@H]2[C@@H](O)CO)cc1Br 2059281486 ZCOXHSUDEYMCBG-STQMWFEESA-N 315.211 1.230 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CC[C@@H](CN)OC2)s1 2269085108 FJUZQFLSZZDTTK-IUCAKERBSA-N 301.437 1.235 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CCC[C@H]2C(=O)O)s1 2269094809 UVOOJFCHUXIVHD-RKDXNWHRSA-N 300.405 1.982 10 10 DDCE O=C1CN(C(=O)C=Cc2ccc(O)c(O)c2)[C@H]2CCCC[C@H]2N1 2307989760 IOVBTQVBTPJXFZ-OLZOCXBDSA-N 316.357 1.381 10 10 DDCE Cc1ccc(Cn2c(O)nnc2O)c(O)c1Br 2307482657 ROOQTFQPNGATSF-UHFFFAOYSA-N 300.112 1.514 10 10 DDCE COC(=O)[C@H](C)CS(=O)(=O)N[C@@H](C)c1ccccc1O 867834431 ODGLLNXKBFEEDH-ZJUUUORDSA-N 301.364 1.182 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1ccncc1 179163964 OUKOMJYQBNMLBR-UHFFFAOYSA-N 312.373 1.985 10 10 DDCE C[C@@H](N)c1ccc(N2CCO[C@H](CO)C2)cc1Br 235219006 BZWLQSSQUCRIOB-KOLCDFICSA-N 315.211 1.666 10 10 DDCE CCOCCOCCS(=O)(=O)CCc1ccc(N)cc1 2365635801 KVFAECPRTBFVBV-UHFFFAOYSA-N 301.408 1.279 10 10 DDCE O=C(O)CSc1ncc(I)s1 85352509 YDCZYCFOWABLBG-UHFFFAOYSA-N 301.130 1.924 10 10 DDCE CCCS(=O)(=O)N1CCN(c2ccc3c(c2)OCO3)CC1 243355160 LXCILAQLQZORMO-UHFFFAOYSA-N 312.391 1.277 10 10 DDCE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NCc1ccc(N)cc1 1895726672 UFBHGVNBHMUSPZ-HUUCEWRRSA-N 321.421 1.993 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)N2CCc3cnccc32)c1 255509406 XCODXBXQRKGLAA-IHWYPQMZSA-N 308.341 1.439 10 10 DDCE CO[C@@H](C)CCS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 2165540469 JESYXRKHIUIQBY-QMMMGPOBSA-N 303.336 1.257 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc2n1CCOC2 831925236 UECVPCWRNCOFOO-SNVBAGLBSA-N 317.345 1.186 10 10 DDCE COCCNC(=N)NCc1cc(Br)ccc1O 849028040 YQAFAXRYRBIDDG-UHFFFAOYSA-N 302.172 1.415 10 10 DDCE CC[C@H](C(=O)OC)C(=O)N(C)CCN(C)c1ccc(OC)cc1 846441625 BCARIDPJKIPMMG-HNNXBMFYSA-N 322.405 1.789 10 10 DDCE CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855232513 RLDABVBUBNTYBH-APHBMKBZSA-N 304.390 1.815 10 10 DDCE CC[C@@H](NC[C@H](O)CS(C)(=O)=O)c1cc(Cl)ccc1O 927023877 JEVDOHPFAQPSPS-CMPLNLGQSA-N 321.826 1.492 10 10 DDCE CN1C[C@@H]2CC[C@H](C1)N2Cc1ccc(N2CCOCC2)cc1 931390771 MGEZZJXBUPNBJA-HDICACEKSA-N 301.434 1.802 10 10 DDCE O=C1C[C@@](C(=O)N2Cc3cccc(O)c3C2)(c2ccccc2)CN1 871205535 UYQBAFKFFMERAJ-IBGZPJMESA-N 322.364 1.692 10 10 DDCE Cc1cc(Cl)cc(CN2CCC[C@@H]2CS(N)(=O)=O)c1O 775696397 KHXYGTPFEUEDLJ-GFCCVEGCSA-N 318.826 1.607 10 10 DDCE CN(c1ccc(N)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1959522518 DQNMUOXMTPRHBX-KGLIPLIRSA-N 307.394 1.685 10 10 DDCE Oc1cc2c(cc1CN1CC[C@@]3(CCCOC3)C1)[C@H](O)CO2 789543857 CNNKMLHPOXRODV-WBVHZDCISA-N 305.374 1.821 10 10 DDCE C[C@H](N)c1ccc(N(C)C2CCS(=O)(=O)CC2)c(F)c1 694170223 LWSDANMYEABKHR-JTQLQIEISA-N 300.399 1.859 10 10 DDCE COC(=O)/C=C\c1ccc(C(=O)NCc2c(O)cccc2O)o1 1156885756 NHOOIPNUSPWOPH-VURMDHGXSA-N 317.297 1.807 10 10 DDCE CNC[C@@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 1333531794 FVNGQQMYZBNAMZ-ZIAGYGMSSA-N 320.437 1.429 10 10 DDCE COC(=O)[C@H](NCCN=[N+]=[N-])c1sccc1S(C)(=O)=O 1912179742 XOKMCYGGOJDJMT-MRVPVSSYSA-N 318.380 1.266 10 10 DDCE CN(C)Cc1cc([C@H](N)CNC(=O)OC(C)(C)C)ccc1O 1536002545 MVKLFZYQHIYTRQ-CYBMUJFWSA-N 309.410 1.978 10 10 DDCE CCN(C)C[C@H](O)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1700969630 QKNUOOSDFWROMX-ZDUSSCGKSA-N 321.381 1.234 10 10 DDCE C[C@@H](Oc1cccc(CO)c1)C(=O)NCc1cc(O)ccc1O 1558175653 ZNPMZPRLMQFOOC-LLVKDONJSA-N 317.341 1.674 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccnc2[nH]c(O)nc12 1558535555 JYHHBZYMXMOIOA-UHFFFAOYSA-N 300.274 1.005 10 10 DDCE O=C(Nc1ccc(COCCO)cc1)c1cccc(O)c1O 1638547795 NULMZKHZNMMZGW-UHFFFAOYSA-N 303.314 1.859 10 10 DDCE C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1O 1587446964 DPIJJJKGYTZWLH-JTQLQIEISA-N 320.370 1.531 10 10 DDCE CC(=O)NCCN(C)c1ccc(CN)cc1Br 308140802 LAXNKZSHLNBQFE-UHFFFAOYSA-N 300.200 1.480 10 10 DDCE CC(=CC(=O)NCc1cc(Cl)ccc1O)CN1CCOCC1 2052242818 NMUXJRZMUQDNLS-UHFFFAOYSA-N 324.808 1.940 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCC[C@@H]3CCO[C@@H](C)C3)c2n1 2062804760 LNADCYUWWNCRKV-NWDGAFQWSA-N 318.377 1.678 10 10 DDCE CC(=O)N[C@H](CSc1ncc(C(F)(F)F)s1)C(=O)O 2099852625 GGRHFEAOPXUYLN-RXMQYKEDSA-N 314.310 1.843 10 10 DDCE CNCc1cc(OC)ccc1N(C)CCCS(C)(=O)=O 2235963106 KZOTVLHSHDYIHP-UHFFFAOYSA-N 300.424 1.286 10 10 DDCE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=CN=c1cc[nH]cc1 2297315771 FBAPHRJGEHEJPY-UHFFFAOYSA-N 322.324 1.078 10 10 DDCE O=C(/C=C\c1cnccn1)N1CCN2CCOc3cccc1c32 492385581 SAPCZGBTFSDBOR-PLNGDYQASA-N 308.341 1.735 10 10 DDCE Cc1ccc(CNC(=O)C[C@H](C)O)c(O)c1Br 2307462849 BXVJXNSTCKRBFU-QMMMGPOBSA-N 302.168 1.850 10 10 DDCE Cn1nc(Br)c(NCc2ccc(O)c(O)c2O)n1 2320067935 CLKRVUBABMBMLZ-UHFFFAOYSA-N 315.127 1.307 10 10 DDCE COc1ccc(N(CCCS(N)(=O)=O)[C@@H](C)C2CC2)cc1 171937949 KJRWZSYNPLPGET-LBPRGKRZSA-N 312.435 1.979 10 10 DDCE CC(=O)N1CC[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 176270190 ULUFEFWSZQUMCF-MRXNPFEDSA-N 315.417 1.554 10 10 DDCE Cc1ccc(C(=O)Nc2cnn(-c3ncccn3)c2)c(O)c1O 177687332 ZOEDYPSZQNOVRB-UHFFFAOYSA-N 311.301 1.634 10 10 DDCE CC[C@H](CSC)N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 123960957 MGZKXCAUODJMTE-NEPJUHHUSA-N 312.435 1.568 10 10 DDCE Cc1cccc(CN2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1O 180755307 APAYBHAYXKUISV-HNNXBMFYSA-N 324.446 1.701 10 10 DDCE CC(C)(C)OC(=O)N1CCCN[C@H](c2cc(O)nc(O)c2)C1 1952609409 XOGZEHGNTQFCSE-NSHDSACASA-N 309.366 1.764 10 10 DDCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CNC(=O)C1 194861587 ZVCMDBSURNTYFF-HNNXBMFYSA-N 315.417 1.771 10 10 DDCE COC[C@@H](NS(=O)(=O)CCOc1ccc(N)cc1)C(C)C 86682355 MAIWJATUZNFSCH-CQSZACIVSA-N 316.423 1.238 10 10 DDCE C[C@H]1CN(Cc2cc(Br)ccc2O)CC(=O)N1C 282241353 AMXHWIIYQDSFTE-VIFPVBQESA-N 313.195 1.817 10 10 DDCE CCOc1cccc2[nH]cc(CC(=O)OCC(=O)C(C)=O)c12 808540568 VPHJWOSSWRXHBW-UHFFFAOYSA-N 303.314 1.810 10 10 DDCE CC1(C)[C@H]2CN(Cc3cc(O)n4ncc(C(=O)O)c4n3)C[C@H]21 737722074 DPBBOAJQXRYBTH-PHIMTYICSA-N 302.334 1.221 10 10 DDCE CN(C)c1ccc(CNC(=O)c2c(C(=O)O)cnn2C)cc1 901899974 DBZLIWFCLFDZOP-UHFFFAOYSA-N 302.334 1.114 10 10 DDCE CC[C@@H](O)CC(=O)NCc1cccc(Br)c1O 831159817 ZJFBCPYEFDLAEZ-SECBINFHSA-N 302.168 1.932 10 10 DDCE C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1CN 923496107 GRMPCIZRDCZEMW-GDBMZVCRSA-N 318.465 1.286 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N(C)CCCO)C2)cc1 854297673 QHHHANICUVGWHW-CYBMUJFWSA-N 307.394 1.298 10 10 DDCE COc1ccc(N2CCC(NC[C@H](O)[C@H]3CCCO3)CC2)cc1 858225471 GIDPTXVXQLDVBF-ZWKOTPCHSA-N 320.433 1.794 10 10 DDCE COC(=O)C1=CC[C@H](NCc2ccc([N+](=O)[O-])c(OC)c2O)C1 862467858 ZPQXXGAPSYUZKH-NSHDSACASA-N 322.317 1.660 10 10 DDCE C[C@@H]1C[C@@H]1NC(=N)NCc1ccc(N2CCOCC2)c(F)c1 864454869 XKIZZKWXYOUVGN-RISCZKNCSA-N 306.385 1.685 10 10 DDCE Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nc(C)n1 773742023 OYOSHXFAALUCGL-SECBINFHSA-N 301.346 1.866 10 10 DDCE CN(Cc1ccccc1)C(=O)CCN1C(=O)CSC1=S 1865765721 IKIDCCXZMLOJRI-UHFFFAOYSA-N 308.428 1.895 10 10 DDCE Cn1cnc(/C=C\C(=O)N2C[C@H](C(N)=O)Cc3ccccc32)c1 1529941078 CRTBGPSYVMLXJF-FMFIFOJESA-N 310.357 1.124 10 10 DDCE CN[C@@H](c1ccccc1O)C1(O)CN(C(=O)OC(C)(C)C)C1 1920947141 WSJMSUUDSLRREE-ZDUSSCGKSA-N 308.378 1.635 10 10 DDCE CC(C)(O)[C@@H](O)CN(Cc1ccccc1O)C[C@H]1CCCO1 1616179869 IYCQHIAAMAKCMQ-ZBFHGGJFSA-N 309.406 1.505 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@@H]1Cc2cc(F)ccc2O1 1558534889 YXDHAYILGPCSRY-HNNXBMFYSA-N 303.289 1.857 10 10 DDCE CN(C)C(=O)/C=C\C(=O)NCc1ccc2c(c1)CCCN2C 1625847783 GZEDABGOVGUBLN-HJWRWDBZSA-N 301.390 1.330 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)[C@H](O)c1cccc([N+](=O)[O-])c1 1635960037 UWZLYPQIWLFAQS-CQSZACIVSA-N 318.285 1.356 10 10 DDCE CC(C)(C)n1nnc(CNC(=O)NCc2c(O)cccc2F)n1 1564990086 NKYACSUXHWWYPL-UHFFFAOYSA-N 322.344 1.272 10 10 DDCE O=C(Cc1ccc2c(c1)NC(=O)C2)NCc1c(O)cccc1F 1635360247 FWKHZDQWRWBNAX-UHFFFAOYSA-N 314.316 1.885 10 10 DDCE C[C@H](NC(=O)c1cccc(-n2[nH]nnc2=N)c1)c1ccccc1O 1643744863 DSYMVKRAUXXVIB-JTQLQIEISA-N 324.344 1.271 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](c2cc[nH]n2)C1 1584113347 LIOKGVDKJRNJFG-LBPRGKRZSA-N 301.346 1.770 10 10 DDCE COc1ccc(CNCCN(C)C(=O)CN2CCCC2)cc1C 1664369672 HEXDHFTXIILDMC-UHFFFAOYSA-N 319.449 1.647 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)[C@@H](C)C(C)C)cc1C 1667899050 KXPJWKQIHIETME-HOCLYGCPSA-N 322.449 1.862 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2ncccn2)cc1C 1669429520 MLLMYIDBYLSXAL-CYBMUJFWSA-N 314.389 1.702 10 10 DDCE CCN1CCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 1772821449 SCHFUVIWXSAXRA-ALCCZGGFSA-N 319.361 1.923 10 10 DDCE CNCc1ccc(N2C[C@H](O)[C@H](F)C2)cc1Br 1944293503 MOJOMXWYQPPWEK-NEPJUHHUSA-N 303.175 1.688 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](N)[C@@H]1c1cc(O)c(O)c(O)c1 1952305856 FCUHSSGLCQPTBW-CABZTGNLSA-N 310.350 1.813 10 10 DDCE COc1cc(Cl)cc(CNCC2(C)CS(=O)(=O)C2)c1O 1967847855 DKOZGHKZZNMPGW-UHFFFAOYSA-N 319.810 1.579 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)[S@](=O)CCC[S@](C)=O 319360833 BEXLAHKRHAPBSF-UPTGGEKGSA-N 316.448 1.113 10 10 DDCE COc1ccc([C@@H](C)N[C@@H](C)CCS(C)(=O)=O)c(O)c1 2160841846 XXHDRIRVSNWVCD-WDEREUQCSA-N 301.408 1.875 10 10 DDCE CN(CCn1cnnc1)c1ccc(CN)c(Br)c1 707624195 BRPAEHOARTVJDS-UHFFFAOYSA-N 310.199 1.636 10 10 DDCE Cc1cc(NS(=O)(=O)C[C@H](C)F)ccc1NS(C)(=O)=O 2177550570 MJHFANIXUYMCDP-VIFPVBQESA-N 324.399 1.466 10 10 DDCE CC(C)N(CCOc1ccc(N)cc1)CCS(C)(=O)=O 2170180852 QZHCDGNMANSTRM-UHFFFAOYSA-N 300.424 1.403 10 10 DDCE COC(=O)c1cccc(N)c1N[C@H](C)[C@@H](C)S(C)(=O)=O 2170601816 VQVIXIQRIADSOJ-RKDXNWHRSA-N 300.380 1.289 10 10 DDCE CCN(c1ccc(CN)cc1Br)[C@H]1CCNC1=O 2051532256 WHXIWEZVRNFPGG-LBPRGKRZSA-N 312.211 1.623 10 10 DDCE N[C@@H]1CC(CN2CCc3ccc(Br)cc32)=C[C@H]1O 2067765550 CQECIJOIPHBNSS-TZMCWYRMSA-N 309.207 1.830 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CC=C[C@H](O)C3)c(Br)cc21 2108777786 ABIQTKIPYDLPCR-MADCSZMMSA-N 324.178 1.138 10 10 DDCE CSc1ncc(CNC(=O)N2[C@H](C)CNC[C@H]2C)s1 2269275781 ZCGJTRZUBPMNPJ-RKDXNWHRSA-N 300.453 1.757 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2CCC[C@H]2C(=O)O)s1 2284536931 HWTIYOXJJAHAAZ-RKDXNWHRSA-N 315.420 1.918 10 10 DDCE COCC[C@@H](NC(=O)NCc1cnc(SC)s1)C(=O)O 2284504727 OPPVXRLSONKUST-MRVPVSSYSA-N 319.408 1.154 10 10 DDCE CSc1ncc(CNC(=O)N[C@H]2CC[C@H](C(=O)O)C2)s1 2284501977 VPEOTTXNVURFHP-YUMQZZPRSA-N 315.420 1.918 10 10 DDCE CS(=O)(=O)c1cscc1NCc1ccc(O)c(O)c1O 2288333421 VJWKHNUGFWHLLE-UHFFFAOYSA-N 315.372 1.881 10 10 DDCE C[C@H](N)c1ccc(N2CC([C@H](O)CO)C2)cc1Br 2315165285 BMPARJGKNJQOLF-ISVAXAHUSA-N 315.211 1.258 10 10 DDCE Cc1ccc(CNC[C@H]2COC[C@H]2O)c(O)c1Br 2327626964 QUBOJNORBNDUNZ-WDEREUQCSA-N 316.195 1.560 10 10 DDCE CSc1ncc(CN[C@@](C)(C(=O)O)[C@H](N)C(C)C)s1 2350655668 PCHSNPGHZQZFKN-BXKDBHETSA-N 303.453 1.781 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](N)C[C@@H]1c1c(O)cc(O)cc1O 1952457533 RMFMSHUBNCGITD-PSASIEDQSA-N 310.350 1.813 10 10 DDCE NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(F)ccc1O 179888317 VRQCBTFJBCZMNY-HNNXBMFYSA-N 300.333 1.944 10 10 DDCE O=C1NN(c2cccc(F)c2)C(=O)/C1=C1/C(=O)Nc2ccccc21 35820865 CDNIIUJDSUXPEZ-BUHFOSPRSA-N 323.283 1.609 10 10 DDCE COc1cc(Cl)cc(CN2CC(N3CCNCC3)C2)c1O 229104242 FQIKYJHNPKRJQV-UHFFFAOYSA-N 311.813 1.144 10 10 DDCE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1 236798455 NRKUSPIGUOUZMC-HNNXBMFYSA-N 303.406 1.671 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)cc1 249602917 QUOGFIBMEAGJLS-LZDOMEQBSA-N 315.417 1.663 10 10 DDCE CC(=O)C(=O)COC(=O)CSc1ncnc2sccc12 808498193 MLZRUADEJRWGHV-UHFFFAOYSA-N 310.356 1.485 10 10 DDCE COc1cccc(CNC(=O)/C=C\c2cncc(O)c2)c1O 588410111 VYMCCYVUHSZXFM-WAYWQWQTSA-N 300.314 1.831 10 10 DDCE CN(C)c1ccc([C@@H](N)CNC(=O)C2(CC(=O)O)CCC2)cc1 849365246 ZURYPDSSVKNLLN-AWEZNQCLSA-N 319.405 1.514 10 10 DDCE O=S(=O)(NNc1nc2cccnc2s1)N1CCCCC1 857224950 AXPMVQXBEARVBL-UHFFFAOYSA-N 313.408 1.339 10 10 DDCE C[C@H](NC(=O)NCC[C@@H]1CC(=O)N(C)C1)c1ccccc1O 924759312 FDHBLMGDGDMEGN-NWDGAFQWSA-N 305.378 1.621 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1cnnn1C 854947697 DMHFMPJJQKWLIS-ZDUSSCGKSA-N 315.421 1.479 10 10 DDCE O=C(Cc1cnn2c1CCCC2)NCc1c(O)cccc1F 928708270 FDIVYCGPNIULLN-UHFFFAOYSA-N 303.337 1.923 10 10 DDCE O=S(=O)(CC[C@@H]1CCCCO1)NCc1c(O)cccc1F 921451435 PRZQEOVSROIIMB-NSHDSACASA-N 317.382 1.910 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CC3CCNCC3)C2)cc1 852844265 SDORLVQWMSRKOE-OAHLLOKOSA-N 317.433 1.780 10 10 DDCE CC(C)C[C@]1(C(=O)NCc2ccc(O)c(O)c2)CCNC1=O 866769091 HSYIYOYDXQAKBF-MRXNPFEDSA-N 306.362 1.266 10 10 DDCE CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCN(C2CC2)C1 779516722 HAWSGNJBMQMEHK-NMNMAYGDSA-N 302.374 1.806 10 10 DDCE CCN(C)c1ccc(CN2CCC[C@H]2CS(N)(=O)=O)cc1 773775213 XMTHWXSUIFYLSU-HNNXBMFYSA-N 311.451 1.396 10 10 DDCE OCC[C@H]1CSCCN1Cc1ccc(N2CCOCC2)cc1 770305715 JJXDGVSVHDDKMY-KRWDZBQOSA-N 322.474 1.823 10 10 DDCE COc1ccc(CNC(=O)NCc2cc(C(N)=O)co2)c(O)c1 793169982 PPLZYRUUNPKZIA-UHFFFAOYSA-N 319.317 1.092 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2cccc(O)c2O)s1 1153792045 NUZYXCPTASTDJJ-UHFFFAOYSA-N 307.327 1.876 10 10 DDCE CN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CC1 1317473399 TUDAAOARBOHQTJ-UHFFFAOYSA-N 303.366 1.921 10 10 DDCE COc1ccc(CN[C@@H](C)CN(C)C(=O)CCN(C)C)cc1C 1283664264 KGFCHZHDCRHDBP-HNNXBMFYSA-N 321.465 1.892 10 10 DDCE O=C(NCc1c(O)cccc1O)c1c(F)ccc2c1OCO2 1472063070 AMHMEACTLZENSX-UHFFFAOYSA-N 305.261 1.896 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CCC(=O)NC1 1543309902 KAZSLCOKIFPRHB-ZDUSSCGKSA-N 303.406 1.594 10 10 DDCE NC(=O)[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 1624147498 HGFLFDSXIMKQPE-MRVPVSSYSA-N 306.343 1.402 10 10 DDCE COc1ccc(CNC[C@@H](CC(C)C)NC(=O)C(N)=O)cc1C 1482394564 SFKYLQKYZKNSFE-CQSZACIVSA-N 321.421 1.109 10 10 DDCE CN1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1=O 1634254719 XRHYDLAFFNMPQE-NSHDSACASA-N 303.322 1.200 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccc(-n2cnnc2)cc1 1643813218 ZMEYAHJCDDDCIF-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE COc1cc(N(C)CCNC(=O)C2CC2)cc(OC)c1OC 1641778546 NNOAXMPAWRCYOO-UHFFFAOYSA-N 308.378 1.675 10 10 DDCE COc1ncc(/C=C/C(=O)N2CCc3nc(F)ccc32)cn1 1586267575 VIPFOSDBTJEFFH-GORDUTHDSA-N 300.293 1.622 10 10 DDCE COc1cc(O)c(CN2CCO[C@@H](CN(C)C)C2)cc1OC 160264593 BNMOIFCCUGYSDH-ZDUSSCGKSA-N 310.394 1.172 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@]2(CCCNC2)C1 1866302714 AUHSPZQAXAURNW-INIZCTEOSA-N 306.362 1.409 10 10 DDCE Nc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2)cc1 1866040737 WAEQICODULKERV-CZUORRHYSA-N 313.357 1.722 10 10 DDCE Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(N)cc2)cc1 1866113407 GKEZUKKEMMZZJL-UHFFFAOYSA-N 319.386 1.494 10 10 DDCE COc1cc(Cl)cc(CN2C[C@@H](OC)[C@H](OC)C2)c1O 234862320 QNHCXPXMCUEDSV-CHWSQXEVSA-N 301.770 1.900 10 10 DDCE OC[C@@H]1COC[C@@H]1NCc1cccc(Br)c1O 1942672234 BNMXQSROHJKZHR-KOLCDFICSA-N 302.168 1.252 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@H](c2cc(O)nc(O)c2)C1 1894494031 YUPOAVVEAIYLBC-UWVGGRQHSA-N 324.333 1.528 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)[C@H](C)C(N)=S 1877528168 BPTCNXFIUSEYRL-DTWKUNHWSA-N 302.421 1.389 10 10 DDCE Oc1c(F)cc(Br)cc1CN1CCN[C@H]2C[C@@H]21 1946762528 SJZXPNWYADKRJA-QWRGUYRKSA-N 301.159 1.840 10 10 DDCE COC[C@@H](CO)NCc1c(Br)ccc(OC)c1O 1964047274 CDDLIZMISXZNCT-MRVPVSSYSA-N 320.183 1.260 10 10 DDCE CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)[C@H](C(=O)O)C1 1977961985 PZKUTCSBSCTYQX-ZDUSSCGKSA-N 321.377 1.779 10 10 DDCE CC(C)(C)OC(=O)N1CC(CO)(CNCc2ccccc2O)C1 1993666975 IMGUFJBWHPMQBL-UHFFFAOYSA-N 322.405 1.711 10 10 DDCE CNC(=O)C(C)(C)NCc1cccc(Br)c1O 312842737 ICGKCBPEVJUPCW-UHFFFAOYSA-N 301.184 1.769 10 10 DDCE CCCn1c(Sc2ncc(C(=O)OCC)s2)n[nH]c1=O 313369520 PKFOGGFBZJMBQA-UHFFFAOYSA-N 314.392 1.766 10 10 DDCE Cn1ncc([C@H](NCCCN=[N+]=[N-])C(=O)O)c1Br 712458710 IIJKIJSKMGSPST-ZETCQYMHSA-N 317.147 1.598 10 10 DDCE CC[C@@H](C)[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)OC 382042308 VPGLZDAYDROHOM-RISCZKNCSA-N 300.424 1.749 10 10 DDCE COc1ccc([C@@H](C)n2cc(C(=O)N(C)C)c(O)n2)c(O)c1 2070592575 RBZXYFKMOBHSCF-SECBINFHSA-N 305.334 1.614 10 10 DDCE C[C@@H](O)c1ccc(N2CC(=O)NC[C@H]2C)c(Br)c1 2060842296 HTSXEVBPHHEUFE-RKDXNWHRSA-N 313.195 1.827 10 10 DDCE CN(c1ccc(CO)c(Cl)c1)[C@@H]1CS(=O)(=O)C1(C)C 2097548708 KCZUXLNEDQXACS-GFCCVEGCSA-N 303.811 1.844 10 10 DDCE CO[C@@H]1CC[C@@H]1CS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2239436581 NIOFAGFHYQZJAQ-GRYCIOLGSA-N 302.400 1.906 10 10 DDCE COc1cc(OC)c(N2CCN(C)[C@@H](CO)C2)cc1Cl 2285871895 PPBNXDIXGNYKCV-SNVBAGLBSA-N 300.786 1.470 10 10 DDCE CSc1ncc(CNC(=O)N2CC=C[C@]2(C)C(=O)O)s1 2284495509 ZLNASTSGPXBCEU-GFCCVEGCSA-N 313.404 1.790 10 10 DDCE CN(C)CC1(O)CN(c2ccc(CN)c(Br)c2)C1 2320554408 KDOKWTZWBXWRAK-UHFFFAOYSA-N 314.227 1.021 10 10 DDCE Cc1ccc(CN=c2cc[nH]c(=N)[nH]2)c(O)c1Br 2327793146 SNPAWHIBFNTFMD-UHFFFAOYSA-N 309.167 1.700 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCN[C@H](C)C2)s1 2345181152 NKEOAOQHQWUKAM-PELKAZGASA-N 301.437 1.550 10 10 DDCE CN1CCCc2cc(CNC(=O)N(C)[C@@H]3CCOC3)ccc21 106549766 URDSDRSDASZWRI-OAHLLOKOSA-N 303.406 1.999 10 10 DDCE C[C@H]1C(=O)NCCN1c1ccc([C@@H](C)N)cc1Br 104137915 YDHHTBHSTFRLRF-BDAKNGLRSA-N 312.211 1.794 10 10 DDCE Cn1cc(N2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)cn1 174935195 BBUFOIZKCMNTJL-UHFFFAOYSA-N 317.349 1.356 10 10 DDCE COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1 318407538 HUYAXDKXBVXMQB-ZDUSSCGKSA-N 301.298 1.742 10 10 DDCE COc1cc(Cl)c(N(C)C[C@@]2(O)CCOC2)c(OC)c1 2368090959 KVBKLRSVBRKRTL-AWEZNQCLSA-N 301.770 1.945 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCC[C@H](CO)C2)c([N+](=O)[O-])c1 96993663 JUWDLEYIBLVHQQ-VGVVRCBHSA-N 320.345 1.990 10 10 DDCE N[C@@H](c1cc(F)cc(Br)c1O)C(F)(F)CO 95716901 WCQVARQSYRHEAP-QMMMGPOBSA-N 300.074 1.921 10 10 DDCE CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(F)ccc2O)C1 289399573 ONPHHTKICUGKPF-ZDUSSCGKSA-N 316.398 1.387 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](c1ccccc1)N1CCCCC1=O 808516457 JNNDMXFWGRALGI-MRXNPFEDSA-N 317.341 1.442 10 10 DDCE CS[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 828688770 XFPXUZQHGSMOQQ-MRVPVSSYSA-N 309.347 1.867 10 10 DDCE O=C(NC1CC1)[C@H]1CCCN1C(=O)/C=C\c1ccc(O)c(O)c1 588403549 PDYGPIABIIQYFY-IBSXUBTNSA-N 316.357 1.381 10 10 DDCE CN(C)c1ccc([C@@H](N)CNC(=O)CCc2ccnn2C)cc1 832284033 GPGVRUNDMHZKLH-INIZCTEOSA-N 315.421 1.235 10 10 DDCE COc1ccc(O)c(CNC(=O)[C@H]2CCc3nc[nH]c3C2)c1 830543711 CBTSQWQAMWDGOY-JTQLQIEISA-N 301.346 1.545 10 10 DDCE C[C@H]1CN(CCO)CCN1C/C=C/c1ccc(N(C)C)cc1 835053025 AEOFAVLCLIHNKP-APHBUQMISA-N 303.450 1.764 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 748285229 VXUBYDPWQYHLMU-VOKGJARPSA-N 306.318 1.742 10 10 DDCE CCO[C@H]1COCC[C@@H]1CC(=O)NCc1ccc(O)cc1O 910957050 OLEYVXOWJHCPEU-ABAIWWIYSA-N 309.362 1.546 10 10 DDCE COC(=O)[C@@H](NCc1cc(Cl)ccc1O)c1ccnn1C 843430421 ULVABGFEFWZQAM-ZDUSSCGKSA-N 309.753 1.783 10 10 DDCE COCCN1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1O 868281332 OTILOQZJXCGJFM-UONOGXRCSA-N 321.421 1.863 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@@H]2C[C@]2(CO)C1 782613394 IAEGIELEXAMHFP-MAUKXSAKSA-N 317.433 1.025 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)Cc1cnn(C)c1 786709789 VPYILFDWKCOQAY-INIZCTEOSA-N 316.405 1.048 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CC[C@](CO)(C(F)(F)F)C1 899605417 CDUPJAZWSJRHLQ-LBPRGKRZSA-N 323.242 1.624 10 10 DDCE CC1CCN([C@H](C)CNC(=O)Cc2ccc(O)c(O)c2)CC1 1136451595 ADGZFDFEXYPMDT-CYBMUJFWSA-N 306.406 1.877 10 10 DDCE COC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCCOC1 1178048688 WGXIOVQGIJRRTC-CHWSQXEVSA-N 309.362 1.198 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)Cn2ccnc2)cc1C 1265873716 ZOMASGIZFGNAFE-AWEZNQCLSA-N 316.405 1.495 10 10 DDCE Cc1nnc(CNC(=O)c2ccc(N=NC(N)=O)cc2)n1C 1295609992 MTNZKICWIMRCPH-UHFFFAOYSA-N 301.310 1.216 10 10 DDCE O=C1Cc2c(C(=O)N3CCOc4cc(F)ccc43)ccnc2N1 1627967594 KBZSFTDUSVRSAE-UHFFFAOYSA-N 313.288 1.755 10 10 DDCE O=C(Cn1c(O)nc2ccccc21)NCc1c(O)cccc1F 1646028371 HFYMJDMANOQOFR-UHFFFAOYSA-N 315.304 1.903 10 10 DDCE CCOCCOCCOc1ccc(N(C)C)c(C(=O)OC)c1 1644179865 QPNPQSNYBJUQMZ-UHFFFAOYSA-N 311.378 1.971 10 10 DDCE Nc1ccc(CN2CCC(NC(=O)Cc3ccncc3)CC2)cc1 586051825 FHFVXLWRZRQRGU-UHFFFAOYSA-N 324.428 1.987 10 10 DDCE COc1ccc(O)c([C@H](C)N[C@H](C)[C@@H](C)S(C)(=O)=O)c1 1970398771 CYZDBJKJHCDONC-OUAUKWLOSA-N 301.408 1.873 10 10 DDCE C[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1975155345 CAALRSUHSYVHJB-ZGNZKYAMSA-N 310.394 1.555 10 10 DDCE NCc1cc(F)c(N2CC[C@@H](O)[C@H](F)C2)cc1Br 2027984843 AGSZARCTWFBIDG-ZYHUDNBSSA-N 321.165 1.956 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1CO[C@@H]2COC[C@@H]12 2040326831 UDABLVZUXISFKA-MVWJERBFSA-N 314.179 1.658 10 10 DDCE C[C@H]1CSCCN(S(=O)(=O)Cc2ccc(N)cc2)C1 379538398 YNUBNQDNUKJDGR-LLVKDONJSA-N 300.449 1.784 10 10 DDCE NC(=O)N[C@H]1CCN(c2ccc(CO)cc2Br)C1 690738113 NAPZMFGUDXWIPF-VIFPVBQESA-N 314.183 1.188 10 10 DDCE Cc1nc(CCNCc2cc(Br)ccc2O)n[nH]1 392356213 MZGOERQRPAQBTJ-UHFFFAOYSA-N 311.183 1.914 10 10 DDCE COCCNCc1ccc(N2CC(F)(CO)C2)c(Cl)c1 2172926211 JIKUGBIUKORTOZ-UHFFFAOYSA-N 302.777 1.597 10 10 DDCE CC[C@@H]1CN(C(=O)c2cnn3c(O)cc(C)nc23)[C@H](CC)CO1 2062347061 VTUDYHUBPXRLHI-VXGBXAGGSA-N 318.377 1.773 10 10 DDCE CC[C@H](N[C@H](CO)[C@H](C)O)c1cc(Br)ccc1O 2053800751 RBSLSAVEYBSJHI-KPXOXKRLSA-N 318.211 1.937 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1occc1CO 2101586926 PVDRMHIECPXTOD-UHFFFAOYSA-N 303.723 1.932 10 10 DDCE COc1cc(N(C)CC(C)(C)S(C)(=O)=O)ccc1CN 2204548075 MUAAZBVWDILQFN-UHFFFAOYSA-N 300.424 1.413 10 10 DDCE CSc1ncc(CNC[C@@H]2CCN(S(C)(=O)=O)C2)s1 2208647927 QTAWVCLCFOEOHV-VIFPVBQESA-N 321.493 1.236 10 10 DDCE CSc1ncc(CNc2ncccc2S(N)(=O)=O)s1 2270938380 VBHSTDDMSFYGQY-UHFFFAOYSA-N 316.433 1.520 10 10 DDCE Cc1cc(O)cc(C)c1NS(=O)(=O)N1CCC[C@@H]1CO 2239647074 RGMSQWRXDRAQKF-LLVKDONJSA-N 300.380 1.122 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)O[C@H]1CCOC1 2311689392 XVLJYBVDBNLPDR-INIZCTEOSA-N 303.358 1.869 10 10 DDCE CSc1ncc(CN[C@@H]2CC[C@@H](S(C)(=O)=O)C2)s1 2314906427 YVPXSFRPTVJYAX-PSASIEDQSA-N 306.478 1.920 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCC[C@H]2CN)s1 2349499748 GJUQBXVLXMSYLF-UFBFGSQYSA-N 301.437 1.537 10 10 DDCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)c2nc[nH]n2)cc1C 1275517786 ZMSFCBANZRIPBG-VXGBXAGGSA-N 317.393 1.418 10 10 DDCE Oc1cc(OC(F)(F)F)c(I)c(O)n1 307363725 JQLNYOTYFODXFY-UHFFFAOYSA-N 320.992 1.996 10 10 DDCE Nc1ccc(NC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 217313599 UYWVZYLBGSNTRH-UHFFFAOYSA-N 320.374 1.238 10 10 DDCE CC(C)CNS(=O)(=O)Nc1ccnn1-c1ccc(N)cc1 128362359 PGFQKVJPZGOUOK-UHFFFAOYSA-N 309.395 1.357 10 10 DDCE CC[C@H]1C(=O)NCCN1c1ccc(CN)cc1Br 212879752 UIPMQWRLZQDSPX-NSHDSACASA-N 312.211 1.623 10 10 DDCE NS(=O)(=O)c1ccc(CNCc2cccc(O)c2O)cc1 41116305 JBNYASQKECLLHA-UHFFFAOYSA-N 308.359 1.035 10 10 DDCE CC(=O)N[C@@H]1CCN(c2ccc(CN)c(C(F)(F)F)c2)C1 133611337 WMRFOKKBBCCHCJ-LLVKDONJSA-N 301.312 1.879 10 10 DDCE O=C(NC[C@H]1Cc2ccccc2CO1)c1cc(O)nc(O)c1 238903254 RRAJNLNJSBHWFC-CYBMUJFWSA-N 300.314 1.364 10 10 DDCE COc1cc(N(C)C[C@H](O)CSC)cc(OC)c1OC 275352026 GVDNCDMXXKNBAU-NSHDSACASA-N 301.408 1.873 10 10 DDCE CN(C)c1ccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1F 373736614 BQOUVDSYAPSUFR-WOSRLPQWSA-N 305.397 1.978 10 10 DDCE CC(=O)C(=O)COC(=O)c1nc(N2CCCC2)ncc1Cl 808505470 AUNXIXMQLZMUCI-UHFFFAOYSA-N 311.725 1.045 10 10 DDCE CCOC(=O)CC(=O)NCc1cc(Br)ccc1O 804736884 CRBCSDBKNNNZMZ-UHFFFAOYSA-N 316.151 1.724 10 10 DDCE C[C@H](C(=O)NCc1ccccc1O)N1C(=O)c2ccccc2C1=O 813489000 LGDBLDPOEKIRKE-LLVKDONJSA-N 324.336 1.693 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)C[C@@H](O)CN1C 900028052 YQUJEDDADHAYCO-WBVHZDCISA-N 305.422 1.166 10 10 DDCE COc1ccc(O)c(CNC(=O)NCc2cccc(OC)n2)c1 734069655 TUDGLILKXWZUJF-UHFFFAOYSA-N 317.345 1.804 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@H](CN)C(F)(F)F)c1O 848714398 OVDFRDITMZVITG-MRVPVSSYSA-N 309.244 1.288 10 10 DDCE COC(=O)/C=C/c1ccc(N2C[C@@H](C)C[C@@H](O)C2)c([N+](=O)[O-])c1 840375094 GVKADNJKXIRBLV-BNHDAMHGSA-N 320.345 1.988 10 10 DDCE COC1(CS(=O)(=O)Nc2ccc(O)cc2F)CCOCC1 844661383 ZFBSBYPCQVDTHH-UHFFFAOYSA-N 319.354 1.469 10 10 DDCE CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)/C=C/c1ccc(O)c(O)c1 925750104 PPEPNHPRANKPII-FVBNKSNASA-N 316.357 1.333 10 10 DDCE C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1c(O)cccc1F)CS2 928707833 CSBFJQMFWLDSLI-IAQYHMDHSA-N 324.377 1.602 10 10 DDCE O=C1OC[C@@]2(CNCc3ccc4c(c3)CCCO4)COCCN12 922318054 OUCBDHPKAZIXPM-QGZVFWFLSA-N 318.373 1.322 10 10 DDCE Cn1nnnc1CCSc1ncc(-c2ccccc2)n1C 865348607 WWYQCTCMHNQMGB-UHFFFAOYSA-N 300.391 1.945 10 10 DDCE CC(C)[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1 1118945918 MIJCDWOEYWHKBX-OAHLLOKOSA-N 318.373 1.118 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)[C@@]23C[C@@H](N)C[C@@H]2C3)cc1 870949719 OGCJIHMVNGWFNY-GLJUWKHASA-N 317.433 1.717 10 10 DDCE CCc1cc(O)ccc1NS(=O)(=O)c1cnc2n1CCC2 790415769 MKBMVZIOPDFZFB-UHFFFAOYSA-N 307.375 1.898 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2CC2(F)F)cc1 717319596 DMFHDDYYGFRLCK-SECBINFHSA-N 306.334 1.222 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2cnc3cccnn23)c1 1150543608 QUVOUCZMCQJSJN-SNVBAGLBSA-N 312.329 1.935 10 10 DDCE C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[S@@]1=O 1154202072 WHAVVASQIHDRIT-MGUXCZDKSA-N 322.390 1.832 10 10 DDCE CC(C)(C)CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(N)=O 1155938419 LAHCKJUCJFPWEI-PZBABLGHSA-N 320.389 1.907 10 10 DDCE NC(=O)c1cccc2c1CCN(C(=O)c1cccc(O)c1O)C2 1167917707 YCWNARXWUCBWSY-UHFFFAOYSA-N 312.325 1.395 10 10 DDCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCc2ccc(Br)cc21 2134556374 HEYPQHVVDABKEV-GFCCVEGCSA-N 324.182 1.976 10 10 DDCE O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1nc[nH]n1 1298829718 HSRCWAYYOJKHQL-UHFFFAOYSA-N 305.301 1.767 10 10 DDCE Cc1ccc(O)c(CNC(=O)NCc2nc(C(N)=O)cs2)c1 1565091490 QKVSLOHHQZTOTE-UHFFFAOYSA-N 320.374 1.255 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](C3OCCO3)C2)cc1 1644873149 NKAAMFDXQVUVGD-LLVKDONJSA-N 318.333 1.684 10 10 DDCE O=C(NCc1c(O)cccc1F)c1ccc(-n2cncn2)nc1 1652295529 NAAWHBIZQKYNIW-UHFFFAOYSA-N 313.292 1.437 10 10 DDCE CCN(c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])[C@H](C)CO 1772931949 MLKVRNSQFKXNRO-LXSSAFMLSA-N 308.334 1.988 10 10 DDCE C[C@H]1SC(=S)N(CCCC(=O)NCc2ccco2)C1=O 11636189 MUZOSXBYQYIKFK-SECBINFHSA-N 312.416 1.925 10 10 DDCE C[C@H]1C(=O)NC(=O)CN1c1ccc(CN)cc1C(F)(F)F 163728141 KCOCQJDWWVQJRB-ZETCQYMHSA-N 301.268 1.015 10 10 DDCE CN(Cc1cccc(Br)c1O)[C@@H]1CCC(=O)NC1 1970972726 ZPDIDMXNCFBVIG-SNVBAGLBSA-N 313.195 1.865 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)Cc1ccc(Cl)cc1O 2146317080 XAXGORJUFCEYTL-YPMHNXCESA-N 319.810 1.289 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1Nc1c(N)cccc1C(N)=O 1984414274 FDBFFZVAFAHKTA-JOYOIKCWSA-N 320.393 1.693 10 10 DDCE CN(c1c(F)cc(CN)cc1F)C1CC(S(C)(=O)=O)C1 716152730 KABQYLSUOQORGF-UHFFFAOYSA-N 304.362 1.435 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@H]3[C@H]3CCCO3)c2n1 2064898043 CKRAZVUOWCXYHZ-QWHCGFSZSA-N 316.361 1.527 10 10 DDCE CN(Cc1cnsn1)c1cc2c(cc1Cl)[C@@H](O)C(=O)N2 2167117025 UGVYYUAMULVEKF-LLVKDONJSA-N 310.766 1.813 10 10 DDCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 2197931317 NCZWDSUXMWDVFA-ZJUUUORDSA-N 301.372 1.048 10 10 DDCE CN(Cc1ccc(N)cc1)c1cc(Br)[nH]c(=N)n1 2053552602 DORUIRLIFJJJQT-UHFFFAOYSA-N 308.183 1.870 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC[C@@H]2C[C@H]2CF)cc1 2191352423 GBCVKQJMOZPIPA-QWRGUYRKSA-N 302.371 1.173 10 10 DDCE O=S1(=O)C[C@@H]2CN(Cc3cc(Cl)ccc3O)C[C@H]2C1 2087858339 LBFKVXGVWCROMG-QWRGUYRKSA-N 301.795 1.522 10 10 DDCE CN[C@H](c1ccc(N(C)C)cc1)c1nn(C)nc1Br 2111452940 PEAXORKVFMXKMC-LLVKDONJSA-N 324.226 1.952 10 10 DDCE CSCC1CC(NS(=O)(=O)Cc2ccc(N)cc2)C1 2112006152 PNAIWUCZJWYERD-UHFFFAOYSA-N 300.449 1.830 10 10 DDCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NS(=O)(=O)C1CC2(C1)OCCO2 2252845733 VKKKQYXFXYCAOT-ZJUUUORDSA-N 302.356 1.043 10 10 DDCE CC1(C)C(=O)NC[C@H]1NCc1ccc(Br)cc1O 2255114043 UUJVISFUMYWZPP-LLVKDONJSA-N 313.195 1.769 10 10 DDCE CC[C@]1(NCc2cc(Br)ccc2O)CCNC1=O 2260525316 UJTMVBBFYCAQKI-ZDUSSCGKSA-N 313.195 1.913 10 10 DDCE COC(C)(C)C[C@H](N)C(=O)NCc1cnc(SC)s1 2269090781 QCOFMJSMYBKUIL-VIFPVBQESA-N 303.453 1.624 10 10 DDCE CSc1ncc(CNCc2cccc(C(=N)NO)n2)s1 2284539051 RKOGXKKXPZRADU-UHFFFAOYSA-N 309.420 1.854 10 10 DDCE CON(CC(=O)O)Cc1ccc(C)c(Br)c1O 2307480158 PYBGYOOERKXOAJ-UHFFFAOYSA-N 304.140 1.911 10 10 DDCE CCOC(=O)c1csc(NN(C)S(=O)(=O)C(C)C)n1 2339768920 CUNAHXVITHLQKO-UHFFFAOYSA-N 307.397 1.317 10 10 DDCE C[C@H](NN(C)S(=O)(=O)C1CCC1)c1ccc(F)cc1O 2365275397 RLRLXNKMJMTTNK-VIFPVBQESA-N 302.371 1.911 10 10 DDCE CCOC(=O)Cc1cnc(NN(C)S(=O)(=O)C(C)C)s1 2365283487 RUJPLWDAPDZHEW-UHFFFAOYSA-N 321.424 1.246 10 10 DDCE CC(C)c1nc(NN(C)S(=O)(=O)C(C)C)sc1C(=O)O 2365340299 XKWBRABQGSVBDA-UHFFFAOYSA-N 321.424 1.962 10 10 DDCE C[C@@H](O)C[C@H]1CCCN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 133148721 VFHQCCFPEGXWCM-NXEZZACHSA-N 321.333 1.665 10 10 DDCE O=C1N[C@H](c2ccc(N3CCCCC3)cc2)N2CCOC[C@@H]12 93885505 QFNOPXDFEBYSQV-HOTGVXAUSA-N 301.390 1.506 10 10 DDCE Cc1c(Sc2nccs2)cc(N)cc1S(N)(=O)=O 94361220 MCHVUZUWHBXROE-UHFFFAOYSA-N 301.418 1.832 10 10 DDCE C[C@H](C(=O)O)N(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 606441955 GBUZAIAIVVSEJL-DMTLFAOVSA-N 318.373 1.468 10 10 DDCE C[C@@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 265952679 NZBCOJYWGDBZIF-UONOGXRCSA-N 303.406 1.879 10 10 DDCE Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(O)c1O 370358961 KMRBLFAIGQOGEK-DGCLKSJQSA-N 318.373 1.537 10 10 DDCE Cc1ccc(O)c(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 289584064 UCGQFHZWRWYFBJ-AWEZNQCLSA-N 312.435 1.556 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(OCc2noc(C)n2)c1 808530771 DUBHUBUBCXGEAU-UHFFFAOYSA-N 318.285 1.272 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CCCN2C)c1 729051220 NKXQAYDJMSQVDA-NEPJUHHUSA-N 307.394 1.855 10 10 DDCE COc1ccc2c(c1)oc(=O)c(=O)n2OCc1ccc(N)cc1 821296406 BJVHPGTWVCGVNT-UHFFFAOYSA-N 314.297 1.174 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCC(S(N)(=O)=O)CC2)cc1 835045121 JBUNFVSJSIAHKK-ARJAWSKDSA-N 323.462 1.519 10 10 DDCE CC(C)N(CC(=O)NCc1ccc(N(C)C)cc1)C[C@H](C)O 839484246 DFDFXJRAMFMGJW-AWEZNQCLSA-N 307.438 1.460 10 10 DDCE COc1ccc(CNC(=O)C[C@H]2CCOC[C@H]2OC)c(O)c1 831032687 HYAQNUNEGRPPEM-IAQYHMDHSA-N 309.362 1.459 10 10 DDCE COC(=O)[C@H]1CSCCN(C(=O)c2cc(O)cs2)C1 839934542 LVHGCNVILPVCPR-MRVPVSSYSA-N 301.389 1.432 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](N2CCC2)[C@@H](F)C1 834592331 LYOGPCCTCZTJEX-RDJPRVRMSA-N 320.364 1.756 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NCCc2cn(C)cn2)c1 840766867 PJYSXVWKRFKGBU-LLVKDONJSA-N 303.362 1.806 10 10 DDCE COC(=O)[C@H]1C[C@@H](O)CN(Cc2cc(Cl)cc(C)c2O)C1 843435610 WJTUTWZHMMISTL-WCQYABFASA-N 313.781 1.710 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@@H]3CCNC(=O)[C@H]32)c(O)c1O 922449195 VDPRPFMOJQSGJZ-PWSUYJOCSA-N 304.346 1.147 10 10 DDCE CCN(CC)c1ccc(CNC(=O)C[C@@H](C)NC(N)=O)cc1 847358537 XECZFNOSWPLAJN-GFCCVEGCSA-N 306.410 1.596 10 10 DDCE CN1C[C@H](CCNCc2cc(F)c(N(C)C)cc2F)CC1=O 922484749 OSNXGIAFXCWHNB-LLVKDONJSA-N 311.376 1.989 10 10 DDCE COc1cccc([C@H](C)NC[C@@]2(OCCO)CCOC2)c1O 850506549 FREWMJHAAIZPGM-LRDDRELGSA-N 311.378 1.219 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)COCC3CC3)C2)cc1 855230389 CVSYJEDRMDPEJU-AWEZNQCLSA-N 304.390 1.817 10 10 DDCE CCN(CC)c1ccc(CNC(=O)C2=NO[C@H](CN)C2)cc1F 852867274 SNMOOHXQFMIIEL-LBPRGKRZSA-N 322.384 1.392 10 10 DDCE C[C@H]1CN(C)C[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 850405997 NRRVDVIOERQRRM-KBXCAEBGSA-N 303.450 1.687 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O 863057296 IXVOSGJDUHPHGF-WFPOBNBBSA-N 321.398 1.623 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(CCCF)CC1 862113187 HUXDKZNKNSXVJG-HYXAFXHYSA-N 308.353 1.615 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1Cc2cccnc2C1 1123779044 GYYGSVJNOZDGSR-FZMZJTMJSA-N 312.369 1.955 10 10 DDCE CN1CCN(c2ccc(CNC(=O)[C@@]3(C)CCCO3)cc2)CC1 881850895 JSQTUALTHDPPJR-GOSISDBHSA-N 317.433 1.624 10 10 DDCE O=C(CNC(=O)c1cc2cc(O)c(O)cc2s1)OCC1CC1 896074036 HKMVRJMZYHNRJI-UHFFFAOYSA-N 321.354 1.996 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@H](NS(C)(=O)=O)C2)c(F)c1 702988298 NKRSTBZRSRCUCG-KOLCDFICSA-N 302.371 1.007 10 10 DDCE OCCOCC1(O)CCN(Cc2cc(F)cc(F)c2O)CC1 895830023 XRHDOHVYKUAJIB-UHFFFAOYSA-N 317.332 1.006 10 10 DDCE CN1CCN(c2ccc(CO)c(Br)c2)C[C@H]1CO 687594904 PSUSVSNYSIJVBD-LBPRGKRZSA-N 315.211 1.054 10 10 DDCE CCCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1142778325 GREVHELYNGLGIO-CYBMUJFWSA-N 320.389 1.405 10 10 DDCE Cc1cc(C(=O)N=c2ccn(C)c(O)n2)c(C)n1-c1ccccn1 1164197577 DCRJOEJHGAZWKA-UHFFFAOYSA-N 323.356 1.669 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)NCC2COC2)cc1 1329778938 XNUFGSOGSBPZNH-UHFFFAOYSA-N 307.394 1.419 10 10 DDCE C[C@@H](NCC(C)(C)NS(C)(=O)=O)c1ccc(F)cc1O 109041966 YPULVIDHFHIQDD-SECBINFHSA-N 304.387 1.510 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc(Cn2cncn2)cc1 1455357208 PYDLYRUOUVLKES-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE CN(C)c1n[nH]c(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 1472560425 GBQCVVTUJQBRIN-UHFFFAOYSA-N 319.346 1.749 10 10 DDCE COC(=O)[C@@](C)(NC(=O)c1cccc(O)c1O)c1ccccc1 1542805115 HSJQWLGFTGNUKJ-KRWDZBQOSA-N 315.325 1.916 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](CO)[C@H](O)C1 1625064648 BAQRNHXMAKSTBY-PRHODGIISA-N 323.370 1.128 10 10 DDCE CCN1CC[C@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 1631363053 APXVFKNQZHAZSG-PBHICJAKSA-N 317.433 1.795 10 10 DDCE COC(=O)c1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1 1635959231 GEDVRRXFPCKJBV-UHFFFAOYSA-N 315.325 1.743 10 10 DDCE C[C@H](NC(=O)CNC(=O)c1cccc(O)c1)c1ccccc1O 1643745057 GWEHAPYKSYFQFS-NSHDSACASA-N 314.341 1.705 10 10 DDCE C[C@H](NC(=O)NCc1nnn(C(C)(C)C)n1)c1ccccc1O 1683466655 HTDSEBIOGKMPHZ-JTQLQIEISA-N 318.381 1.694 10 10 DDCE CCNCc1ccc(N2CC(=O)NC(=O)C2(C)C)c(Cl)c1 164135434 WBRWZOBMHKUQIN-UHFFFAOYSA-N 309.797 1.691 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 1977923539 VPQDSPSVLCWOMM-CQSZACIVSA-N 319.405 1.937 10 10 DDCE O=S1(=O)C[C@@H]2CCN(Cc3ccc(F)c(F)c3O)[C@H]2C1 2151231916 CLYUHZIWZUQMQR-ONGXEEELSA-N 303.330 1.289 10 10 DDCE C[C@H](CCCOc1cc(N(C)C)ccc1N)S(=O)(=O)O 2155518733 JGVMDCDQJDINKY-SNVBAGLBSA-N 302.396 1.770 10 10 DDCE COC[C@H]1CNCCN1Cc1cc(Br)ccc1O 2028148181 UCFSFWBVHBACFH-GFCCVEGCSA-N 315.211 1.575 10 10 DDCE CO[C@@H]1CN(C)C[C@@H]1NCc1ccc(Br)cc1O 2034336303 QNWZXRYAQOJCME-WCQYABFASA-N 315.211 1.573 10 10 DDCE CN1C[C@@H](CNCc2ccc(Br)cc2O)CC1=O 723594570 MUIOWCKFIARTLS-SECBINFHSA-N 313.195 1.723 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@H](n3cnnc3)C2)c1 2062210343 BLENWWNUUKMVNP-SRVKXCTJSA-N 316.361 1.821 10 10 DDCE Cc1cc(O)cc(C)c1NS(=O)(=O)c1sc(=N)[nH]c1C 2239752759 FESZEGJWWJFQQE-UHFFFAOYSA-N 313.404 1.987 10 10 DDCE COCCCC[S@@](=O)C[C@H](O)COc1ccc(N)cc1 2287528815 APKYVCIKCFPMDI-ZUOKHONESA-N 301.408 1.184 10 10 DDCE COc1ccc([C@@H](O)CNC(=O)c2cc(O)c(O)c(O)c2)cc1 170190457 CIWPGRSCOWITDY-AWEZNQCLSA-N 319.313 1.275 10 10 DDCE NC(=O)CC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2O)C1 170915302 PEDLPNKQPNXDFJ-LLVKDONJSA-N 307.350 1.778 10 10 DDCE COc1cc(CNCCCN(C)C)ccc1N1CCOCC1 212686105 FVKNYNOFKCZTOQ-UHFFFAOYSA-N 307.438 1.573 10 10 DDCE Cn1cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cn1 127804099 KLYRLTMMBQKDPK-UHFFFAOYSA-N 310.360 1.937 10 10 DDCE COCCNCc1cc(F)c(N(C)C(C)(C)CO)c(F)c1 126846241 SZROKDYZBKIEOA-UHFFFAOYSA-N 302.365 1.908 10 10 DDCE COC(=O)[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 124775036 RLKYGXLKEAXAAO-MRXNPFEDSA-N 304.390 1.661 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CO[C@]3(CN)C[C@H]2C3)s1 2368832462 BSMQTUWMJSIHEA-JQEORGNBSA-N 313.448 1.235 10 10 DDCE COc1cc(Cl)cc(CN(C)[C@H]2COC[C@@H]2C(=O)O)c1O 229119365 BKRCSVKOTCUNHN-QWRGUYRKSA-N 315.753 1.586 10 10 DDCE O=C(CN1C(=O)CSC1=S)Nc1ccc2c(c1)OCCO2 82336528 XNPFZGHAUOAEQO-UHFFFAOYSA-N 324.383 1.257 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1896139944 DDFQQUWASHHRIJ-LPWJVIDDSA-N 324.421 1.945 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(C)c1C 265925667 DJWWTEZZZVCYJE-UHFFFAOYSA-N 301.394 1.852 10 10 DDCE Oc1cc2c(cc1CN1CCc3ccnc(O)c3C1)OCO2 277113598 WXMYIGSMNLLUBU-UHFFFAOYSA-N 300.314 1.780 10 10 DDCE CCOc1ccc(O)c(CN2CC[C@H](OC)C[C@@H]2C(=O)OC)c1 370365084 DBEJLZOLHJCBOJ-DZGCQCFKSA-N 323.389 1.943 10 10 DDCE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(OC)ccc1O 372280633 FMOLOLLQUKKFKH-DZGCQCFKSA-N 323.389 1.943 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@H]3CN(C)C[C@@H]32)c1O 814173326 JVVWLAKKKSSKTJ-GWCFXTLKSA-N 307.350 1.445 10 10 DDCE COC(=O)[C@@H](C)CNC(=O)c1cc2cc(O)c(O)cc2s1 900503067 ZUQKINQMWWBOGK-ZETCQYMHSA-N 309.343 1.851 10 10 DDCE COC(=O)CCNC(=O)CCN[C@H](C)c1cc(OC)ccc1O 839540094 QXNNRORVBYHAQZ-LLVKDONJSA-N 324.377 1.121 10 10 DDCE CCO[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 916093620 ALMACPLNKZALAJ-HZPDHXFCSA-N 304.390 1.769 10 10 DDCE CC[C@@H]1[C@@H](C(=O)N(CC(=O)O)Cc2ccccc2O)CCN1C 911488255 JCEAOYNQFRRYKR-UONOGXRCSA-N 320.389 1.536 10 10 DDCE CCOC(=O)c1cc(/C=C2/SC(=S)N(CC)C2=O)[nH]n1 843263343 BVQOGWLSBHWJTH-RMKNXTFCSA-N 311.388 1.808 10 10 DDCE CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)/C=C\c1ccc(O)c(O)c1 925750107 PPEPNHPRANKPII-KQMXKCMJSA-N 316.357 1.333 10 10 DDCE Cc1cc(O)c(CNC[C@@]2(CO)COCCN2C)c(Cl)c1 922535199 WYKCJHFXMBQWSU-OAHLLOKOSA-N 314.813 1.137 10 10 DDCE CCC[C@@](C)(O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855231509 BDNUJJOVAMQXDY-CXAGYDPISA-N 306.406 1.941 10 10 DDCE CC[C@@H]1NCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851640352 UPIVUBBLKDENED-XKQJLSEDSA-N 317.433 1.778 10 10 DDCE O=C1OC[C@]2(CNCc3ccc4c(c3)CCCO4)COCCN12 922318050 OUCBDHPKAZIXPM-KRWDZBQOSA-N 318.373 1.322 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](NC=O)C(C)C)C2)cc1 862160202 WYKRBUBXSALBRV-CJNGLKHVSA-N 319.405 1.161 10 10 DDCE C[C@H](NC(=O)NCCCN1CCOC1=O)c1ccccc1O 868279947 AQAHBMWBMPXXGP-NSHDSACASA-N 307.350 1.595 10 10 DDCE CCN1CCOC[C@@H]1C(=O)NCc1ccc2cccnc2c1O 862027065 IJHWMFXSLMAVIP-CQSZACIVSA-N 315.373 1.277 10 10 DDCE COc1cccc(CNC(=O)[C@H]2CCn3cc(C)nc3C2)c1O 860240230 DFJWYJVHVZVAIA-LBPRGKRZSA-N 315.373 1.785 10 10 DDCE COC(=O)[C@@]1(OC)CCN(Cc2c(O)ccc3ccncc23)C1 863297305 SBWVYCWLWBTHJR-QGZVFWFLSA-N 316.357 1.704 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)NC2CC(C)(C)C2)cc1F 1118745165 GUBLQBWAHQYKGF-UHFFFAOYSA-N 321.396 1.813 10 10 DDCE COc1nn(C)cc1NC(=O)NCCc1ccc(O)c(O)c1 789318317 NDAABZYKMOUSSG-UHFFFAOYSA-N 306.322 1.204 10 10 DDCE CN(CCNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1135807979 ISLDNPOUSDCOOH-UHFFFAOYSA-N 300.358 1.893 10 10 DDCE COc1cc(NS(=O)(=O)c2c(Cl)cnn2C)ccc1O 797819225 AKGKWYNHALYNRQ-UHFFFAOYSA-N 317.754 1.589 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](O)C[C@@H]2CO)cc1Br 698114326 KOCMJHXIHCQAGB-GDPRMGEGSA-N 315.211 1.401 10 10 DDCE COc1ccc(OC)c(CC(=O)NCc2ccc(O)cc2O)c1 1162271944 WKRDIADKBPVYBR-UHFFFAOYSA-N 317.341 1.974 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)C2CCC(=O)CC2)C1 1912211000 QTNJKPRZPKHCEK-SNVBAGLBSA-N 300.384 1.850 10 10 DDCE Cc1nnc(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1 1296246389 LXCYJHXHHXPOLL-VIFPVBQESA-N 305.334 1.469 10 10 DDCE CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H](C)c1ccccc1O 1454822330 KVJUZRLBTKRVBS-VIFPVBQESA-N 323.374 1.104 10 10 DDCE Cc1ccc(C(=O)Nc2ccc(CO)c(CO)c2)c(O)c1O 1470559807 BRYMBQKODAQBGH-UHFFFAOYSA-N 303.314 1.643 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1CN1CCCC1 1542444122 OZSOORRWDIMMBG-CQSZACIVSA-N 304.390 1.727 10 10 DDCE Cc1nc(CNC(=O)Cc2ccc(O)c(O)c2)ccc1[C@H](C)O 1545890978 OVYOBYNJTHIYJI-NSHDSACASA-N 316.357 1.713 10 10 DDCE COc1ccc(CNC[C@H](CC(C)C)NC(=O)C(N)=O)cc1C 1482394563 SFKYLQKYZKNSFE-AWEZNQCLSA-N 321.421 1.109 10 10 DDCE COC(=O)[C@@]12C[C@@H](NC(=O)Cc3ccc(O)c(O)c3)C[C@@H]1C2 1643789910 NEQVRFXYMYAFRF-GDLVEWKHSA-N 305.330 1.098 10 10 DDCE O=C(NC[C@@H](O)Cc1ccccc1F)c1c(F)ccc(O)c1O 1649035781 MADGMDGQFYTAHV-JTQLQIEISA-N 323.295 1.709 10 10 DDCE COC(=O)[C@@H]1CCC[C@@H](C(=O)NCc2c(O)cccc2O)C1 1647270788 ZHQZDHFIVHIAMI-GHMZBOCLSA-N 307.346 1.693 10 10 DDCE CCOC(=O)c1[nH]nc(NC(=O)c2ccc(C)c(O)c2O)c1C 1647830637 FQXXURRMLFMNDT-UHFFFAOYSA-N 319.317 1.867 10 10 DDCE O=C(Nc1ccc2c(c1)S(=O)(=O)CC2)c1cccc(O)c1O 1588031506 CIICWVMYZNBCRE-UHFFFAOYSA-N 319.338 1.680 10 10 DDCE NCc1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(F)c1F 2145062578 XMIZOGMNPSFLLI-GXSJLCMTSA-N 302.346 1.047 10 10 DDCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980376604 HOAKOZTYOVJIMQ-CYDGBPFRSA-N 324.421 1.755 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CO)CN[C@@H]1CCc2cccc(O)c21 1985856527 BZVALJUELHASNT-QWHCGFSZSA-N 322.405 1.855 10 10 DDCE COC[C@@](C)(CO)N(C)c1ccc(CO)c(Br)c1 689235157 XHGCEXNWNFVBPX-CYBMUJFWSA-N 318.211 1.775 10 10 DDCE N[C@]1(C(=O)O)CCN(Cc2ccc(Br)cc2O)C1 691488987 DUFRXAPDJYBNHL-GFCCVEGCSA-N 315.167 1.143 10 10 DDCE CCCN(CC(N)=O)c1ccc(CN)c(Br)c1 383961941 XKVGIGQXGQEGDB-UHFFFAOYSA-N 300.200 1.610 10 10 DDCE COc1cc(S(=O)(=O)N2CCC[C@@H]2CN=[N+]=[N-])sn1 717757647 HBTXXLGWNUIARD-SSDOTTSWSA-N 303.369 1.615 10 10 DDCE O=C(NCc1cc(Br)no1)c1ccc(O)c(O)c1 719309666 GZSBXOPDUJRGEQ-UHFFFAOYSA-N 313.107 1.778 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3OC[C@H](CO)[C@@H]3C2)cc1Cl 2178087129 PGBCOQGPNGPWIL-BHDSKKPTSA-N 300.761 1.381 10 10 DDCE CC(C)OCCS(=O)(=O)CCCOc1ccc(N)cc1 2184713348 CCAYMRODHKYESC-UHFFFAOYSA-N 301.408 1.878 10 10 DDCE O=S1(=O)C[C@@H]2CN(c3ccc(CO)cc3Cl)C[C@@H]2C1 2087856797 QRSWSWUNKPFZEL-PHIMTYICSA-N 301.795 1.313 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1CCC[C@@H](O)[C@@H]1O 2212869289 UQVFCRNUMMZOBF-CKYFFXLPSA-N 301.184 1.718 10 10 DDCE Nc1ccc(OCCn2cc(Br)cnc2=O)cc1 2224033750 YADGEXKVQPWEGN-UHFFFAOYSA-N 310.151 1.667 10 10 DDCE O=S(=O)(CCCNCc1ccc2c(c1)CCO2)C(F)F 2237641811 KASWIOLKDVKMHX-UHFFFAOYSA-N 305.346 1.739 10 10 DDCE NCc1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1Br 2308659752 RSSKIKKQDQXBLW-KGYLQXTDSA-N 313.195 1.104 10 10 DDCE C[C@@H]1CN(c2ccc(CN)c(Br)c2)C[C@@H](CO)O1 228157014 XKPAKUIBHQGSPR-SKDRFNHKSA-N 315.211 1.494 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@@H](C)NC(N)=O)cc1F 66841411 BHUFNEUZVZCZIS-SNVBAGLBSA-N 310.373 1.345 10 10 DDCE C[C@@]1(C(F)(F)F)NC(=O)N(CCc2ccc(N)cc2)C1=O 71196491 LVRIVCIIGXZRAF-GFCCVEGCSA-N 301.268 1.684 10 10 DDCE Cc1cc(N(C)C)ccc1CNS(=O)(=O)[C@H]1CCO[C@H]1C 135680544 ATSSXILJIUCXNM-WFASDCNBSA-N 312.435 1.658 10 10 DDCE COc1cccc(CNC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)c1O 131834539 VNAIUJREOZDKOB-OCCSQVGLSA-N 321.421 1.929 10 10 DDCE Cc1cc(N2CC[C@H](S(=O)(=O)C(F)F)C2)ccc1CO 2368551755 CARCKOHMXSUDPG-LBPRGKRZSA-N 305.346 1.703 10 10 DDCE O[C@@H]1[C@H]2C[C@@H]3CN(Cc4ccc(N5CCOCC5)cc4)[C@@H]1[C@H]3C2 249603865 QYPZJKQOGSJBAS-BSWVEEBUSA-N 314.429 1.724 10 10 DDCE CCOC(=O)CC[C@H](C)NC(=O)NCc1cccc(OC)c1O 270568844 ZUYJZIYRLQBMMZ-NSHDSACASA-N 324.377 1.932 10 10 DDCE COc1cccc(CNC(=O)CO[C@H](C)c2nccn2C)c1O 806763335 RIBDPOISKYKQTD-LLVKDONJSA-N 319.361 1.528 10 10 DDCE CC(=O)C(=O)COC(=O)C1(OCc2ccccc2)CCOCC1 808529653 ONCBRFCKXBUCDC-UHFFFAOYSA-N 320.341 1.454 10 10 DDCE Cc1nc([C@@H]2CCN(Cc3cc4c(cc3O)OC[C@H]4O)C2)no1 905681759 ISCUTFXXDRJXQL-QMTHXVAHSA-N 317.345 1.499 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@@H]2CCN(S(C)(=O)=O)C2)cc1 846030442 DKAWKABSZFFRBU-FOSCPCJNSA-N 323.462 1.389 10 10 DDCE CN(C)C(=O)COC1CN(Cc2cc3c(cc2O)CCC3)C1 751945015 XKSPTKZSNAGGBD-UHFFFAOYSA-N 304.390 1.170 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H](C)OC)C2)cc1 852065677 IMMLLUUJURDJBN-KGLIPLIRSA-N 321.421 1.998 10 10 DDCE CCn1nc2c(cc1=O)CN(Cc1c(O)cccc1OC)CC2 769512547 IDOJIYKDHPGVSP-UHFFFAOYSA-N 315.373 1.536 10 10 DDCE CCNC(=O)NC1(C(=O)N2Cc3cccc(O)c3C2)CCCC1 871201695 YXFWMIRDGXPUGO-UHFFFAOYSA-N 317.389 1.866 10 10 DDCE CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 898546622 RQKWGYLIOOUERS-BXKDBHETSA-N 311.309 1.461 10 10 DDCE CCOc1ccc(O)c(CNC2(C(=O)NC)CCOCC2)c1 895884219 MLTZQYOGTGOKCA-UHFFFAOYSA-N 308.378 1.176 10 10 DDCE CN(Cc1cn(C)nn1)C(=O)c1cc2cc(O)c(O)cc2s1 1147546881 BYKRTFVJKIDOKR-UHFFFAOYSA-N 318.358 1.713 10 10 DDCE O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CCNC1 687252749 WPKRBRJEZWLEIE-SSDOTTSWSA-N 311.190 1.803 10 10 DDCE CC(C)(C)OC(=O)NCC[C@@H](F)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043021 JOMMDCVHCROYAJ-GMTAPVOTSA-N 316.373 1.505 10 10 DDCE C[C@H]1CC[C@@H](C)N(C(=O)C(=O)N(C)Cc2ccccc2O)C1 1328496401 CSTAZVUEYVWNSY-QWHCGFSZSA-N 304.390 1.998 10 10 DDCE C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1 1912167861 QAYOCQSCPFSFJW-RYUDHWBXSA-N 301.416 1.985 10 10 DDCE CCOc1cccc(CCNC(=O)Cc2ccc(O)c(O)c2)n1 1453263036 MEGMFBSYHRLUBX-UHFFFAOYSA-N 316.357 1.793 10 10 DDCE O=C(CCN1C(=O)CSC1=S)N1CCc2ccccc2C1 1865765803 KTBZQPJLRZUPGS-UHFFFAOYSA-N 320.439 1.822 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC[C@H]1C(N)=O 1540567499 OGSVZTZABCLTRC-CVEARBPZSA-N 315.417 1.757 10 10 DDCE C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H](C)S1=O 1567596037 FTOGKODKYBGQDT-NXEZZACHSA-N 322.390 1.831 10 10 DDCE O=C(CCc1nn[nH]n1)NCc1c(O)ccc2c1CCCC2 1630277819 JZRJJHXJPRLESW-UHFFFAOYSA-N 301.350 1.033 10 10 DDCE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1568635293 DVLCBNSRWKQSPC-JTQLQIEISA-N 324.377 1.670 10 10 DDCE COC(=O)[C@@H]1CO[C@H](CCC(=O)NCc2cccc(O)c2O)C1 1644710579 DRZKUIYWDCDWRN-NWDGAFQWSA-N 323.345 1.072 10 10 DDCE C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NCc2cc(O)ccc2O)C1 1651225401 IAKJWDIFZUNFSI-NOZJJQNGSA-N 301.346 1.803 10 10 DDCE NC(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc23)[nH]1 1652708771 MDYJHFKIOPBYGC-UHFFFAOYSA-N 309.325 1.902 10 10 DDCE CNCc1ccc(N2CCN(CCN(C)C)CC2)c(Cl)c1 164054439 QUKQEFAHBWNNSK-UHFFFAOYSA-N 310.873 1.743 10 10 DDCE CC(C)NCc1ccc(N2CC(=O)NC(=O)[C@H]2C)c(Cl)c1 164134620 MUWSBBOBRCFNAM-SNVBAGLBSA-N 309.797 1.689 10 10 DDCE CS(=O)(=O)c1cccnc1NCCOc1ccc(N)cc1 168487552 CYQBBKZUZGFGKO-UHFFFAOYSA-N 307.375 1.558 10 10 DDCE Cc1c(OCCN(C)C)c(=O)ccn1Cc1ccc(N)cc1 1857919994 ISQOTVFHKIIXSL-UHFFFAOYSA-N 301.390 1.728 10 10 DDCE CN1CC[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)C1 891247093 HGLHPZBYVPFDJR-RDJZCZTQSA-N 318.465 1.423 10 10 DDCE CN(CCN=[N+]=[N-])C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1885556589 CSAOYXWRPFRHNF-VIFPVBQESA-N 301.347 1.031 10 10 DDCE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(CCN=[N+]=[N-])C2)CC1 1982241771 JKKXKMPNTRXPLI-CYBMUJFWSA-N 324.429 1.924 10 10 DDCE Oc1cc(Br)ccc1CNC[C@H](O)c1cnc[nH]1 2028279880 INIQPNSSEDXSOV-LBPRGKRZSA-N 312.167 1.701 10 10 DDCE O=C1CC[C@H](NCc2c(O)cccc2Br)CCN1 706842493 RSPJOFSTWAZURE-VIFPVBQESA-N 313.195 1.913 10 10 DDCE CN[C@H](C)c1ccc(N2CCS(=O)(=O)[C@@H](C)C2)c(F)c1 707157922 AKICZLJOFYVFKD-WDEREUQCSA-N 300.399 1.729 10 10 DDCE C[C@H](N)c1ccc(N(C)CC(C)(C)S(C)(=O)=O)cc1O 713990666 AODFCFBRGCXXNC-JTQLQIEISA-N 300.424 1.671 10 10 DDCE CC(C)(CCF)NS(=O)(=O)CCOc1ccc(N)cc1 2191410301 RBVJQVCNMWEYKL-UHFFFAOYSA-N 304.387 1.705 10 10 DDCE Cn1c(C2=C[C@H](O)[C@@H](N)C2)nc2ccc(Br)cc21 2067752631 ARPKRXFHPAXXMD-CABZTGNLSA-N 308.179 1.811 10 10 DDCE CO[C@@H]1[C@H](OC)CN(c2ccc(CN)cc2Cl)[C@@H]1CO 2233359701 ZTUNWYJFTLHSFI-MCIONIFRSA-N 300.786 1.010 10 10 DDCE CNC(=O)c1c(N)nsc1NCc1cnc(SC)s1 2269282269 VJYLDNXTRIWBIG-UHFFFAOYSA-N 315.449 1.875 10 10 DDCE CC(=O)N(C)c1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1 10121468 UWZKZNJEVLVBIK-UHFFFAOYSA-N 318.329 1.801 10 10 DDCE O=C1C[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CN1 117975637 QCHYWBBCTWYYDU-KGLIPLIRSA-N 318.373 1.036 10 10 DDCE COC(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3C)CC1 62575743 NWIFWUFDZLKDIO-UHFFFAOYSA-N 303.362 1.484 10 10 DDCE CCOCCN1CCN(Cc2ccc(OC)cc2O)C[C@@H]1C 120903476 GQJXPFCLRRIYER-AWEZNQCLSA-N 308.422 1.943 10 10 DDCE CC[C@@H]1CN(Cc2cc(OC)ccc2O)CCN1CCOC 180087239 ACBPOABNOLOWOV-OAHLLOKOSA-N 308.422 1.943 10 10 DDCE CCOC(=O)[C@H]1C[C@]1(N)c1c(O)cccc1Br 1952859928 QEFBPWZHDBCDCN-JMCQJSRRSA-N 300.152 1.892 10 10 DDCE CN(Cc1ccsc1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 40459990 GKHQEQBYYZWSTN-LBPRGKRZSA-N 306.387 1.688 10 10 DDCE CNC(=O)[C@@H]1CCCN1Cc1cccc(Br)c1O 133598414 VFNMXRAXEHUDRT-NSHDSACASA-N 313.195 1.865 10 10 DDCE CC(C)(C)OC(=O)N1Cc2cc(O)c(O)cc2C[C@H]1C(=O)O 136313468 OGKDJQNZENXBCA-JTQLQIEISA-N 309.318 1.844 10 10 DDCE CN(C[C@@H]1CCCN1C)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 221206057 RWCJATYJEXZBBI-LKFCYVNXSA-N 308.813 1.822 10 10 DDCE COc1nnc(NC(=O)NCCc2ccc(O)c(O)c2)s1 282697721 LSOUUNWMZNGUOE-UHFFFAOYSA-N 310.335 1.322 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C)CCC(=O)NC1 282228519 HHWVSWJBMQMIMA-QFYYESIMSA-N 306.362 1.061 10 10 DDCE O=C1OC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCN12 378345482 KTERJKVJDWNZOW-MRXNPFEDSA-N 317.389 1.160 10 10 DDCE CC(=O)C(=O)COC(=O)c1cn(-c2ccc(Cl)cc2)nn1 808501873 QXCOGCJDFZCFNY-UHFFFAOYSA-N 307.693 1.236 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@H](C(F)F)C1)[C@@H](O)CO2 800853478 RIBKSMWXOZDFPN-AAEUAGOBSA-N 301.289 1.284 10 10 DDCE Nc1cc(O)ccc1NS(=O)(=O)C[C@H]1C[C@@H]1C(F)(F)F 2164653409 ZEDCBHXIIZYVGX-SVRRBLITSA-N 310.297 1.915 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1cc(Cl)cc(C)c1O 826986207 QZOHVRODYOKYAW-RYUDHWBXSA-N 319.810 1.256 10 10 DDCE C[C@@H](O)CN1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 835027890 OGQUSSQOSSXBSE-DWTRPJMMSA-N 303.450 1.764 10 10 DDCE COC(=O)[C@]12C[C@H](N)C[C@H]1CN(Cc1cccc(C)c1O)C2 903976828 CJZSMJUFHCBPRI-VBQJREDUSA-N 304.390 1.413 10 10 DDCE CN(C/C=C\c1ccc(N(C)C)cc1)CC(=O)N1CCOCC1 835026613 YVIHOZMNJKFSLO-PLNGDYQASA-N 317.433 1.556 10 10 DDCE COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C 839917495 DWCIPZLTNGZBEO-VBNZEHGJSA-N 318.417 1.917 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)n1cccn1 831924007 BHMHXMREKXDGEJ-NSHDSACASA-N 303.362 1.777 10 10 DDCE C[C@H](O)[C@@H]1CN(Cc2cc(Br)ccc2O)CCO1 840980433 ZPVQHJWYZRNMLJ-ZANVPECISA-N 316.195 1.736 10 10 DDCE CCCN1CC(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O 849357318 LJNJBJQKDGPZIB-CQSZACIVSA-N 317.389 1.948 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCN(C)[C@@H]3C)C2)cc1 855227258 WTKAMYBGKKCVFT-CKEIUWERSA-N 317.433 1.730 10 10 DDCE CCN(C)c1ccc(CN2CC[C@](OC)(C(=O)OC)C2)cc1 859555954 ABJSAKLTCUUJDV-QGZVFWFLSA-N 306.406 1.907 10 10 DDCE CCN1OC[C@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O 851897877 RXDMNFCEQMDFGJ-BBRMVZONSA-N 319.405 1.336 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC2(CC1)COCCO2 922567309 PZJIZJPGJPQEOM-DUXPYHPUSA-N 319.357 1.519 10 10 DDCE CC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1C 865903471 CAPHVOHJARNHQF-MRXNPFEDSA-N 303.406 1.688 10 10 DDCE O=S(=O)(c1cnn2c1OCCC2)N1Cc2cccc(O)c2C1 867690227 DMYNWJIQMNFPQL-UHFFFAOYSA-N 321.358 1.076 10 10 DDCE Cc1nn(C)c(C)c1OCC(=O)N1Cc2cccc(O)c2C1 871204304 XQJYCAHRWMXHCY-UHFFFAOYSA-N 301.346 1.664 10 10 DDCE COC(=O)[C@@]12C[C@@H](NC(=O)N3Cc4cccc(O)c4C3)C[C@@H]1C2 876129803 UNPSECXSHRSCHX-PEBVRCNWSA-N 316.357 1.759 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2[C@H]3CCC[C@H]32)c1 787720857 MAMWIEFAQGWZKE-IWIIMEHWSA-N 310.375 1.292 10 10 DDCE C[C@H]1CCNC(=O)[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 897664825 XINDPRKWDXIJAY-CPFSXVBKSA-N 320.370 1.567 10 10 DDCE CNC(=O)C1(NCc2cc(F)cc(F)c2O)CCOCC1 895886679 VHFMDFKDUDLRMJ-UHFFFAOYSA-N 300.305 1.055 10 10 DDCE O=C(NC[C@H](CO)Cc1ccoc1)c1c(F)ccc(O)c1O 1306890501 RTVWIBYVBRMBDA-SNVBAGLBSA-N 309.293 1.411 10 10 DDCE CNC(=O)Cc1nc(CN[C@@H](C)c2ccccc2O)cs1 1197004482 TXZLGLPUYSJMTK-JTQLQIEISA-N 305.403 1.988 10 10 DDCE CNCc1ccc(N(C)[C@@H]2CCNC2=O)cc1Br 1916825972 LUIFNWQUFDHTFB-GFCCVEGCSA-N 312.211 1.493 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2ccnc(-n3cncn3)c2)c1 1453650193 OKIKDYFESIYTMO-UHFFFAOYSA-N 309.329 1.606 10 10 DDCE O=C(NC[C@H](O)Cc1ccc(F)cc1)c1cccc(O)c1O 1455856052 XQSBMCDQLOMCNP-GFCCVEGCSA-N 305.305 1.570 10 10 DDCE Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)[nH]1 286432 MMOMOGHIDNKYMM-QPEQYQDCSA-N 313.313 1.887 10 10 DDCE CNCc1ccc(N2C[C@@H]3C(C(N)=O)[C@H]3C2)c(Br)c1 2136613919 NCHJWXMASDIQKL-UWVGGRQHSA-N 324.222 1.336 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1c(F)ccc2c1OCO2 1545669132 LVWBQERNQWCMOE-UHFFFAOYSA-N 319.288 1.938 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCCNC(=O)C1CCC1 1629452073 KPGKEYVZIVIHAO-UHFFFAOYSA-N 306.362 1.063 10 10 DDCE C[C@@H](NC(=O)CNC(=O)c1cccc(O)c1)c1ccccc1O 1632246400 GWEHAPYKSYFQFS-LLVKDONJSA-N 314.341 1.705 10 10 DDCE CC(=O)N(C)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cn1 1638469733 QODUJCLIXJCZCH-UHFFFAOYSA-N 315.329 1.657 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@@]2(F)CCOC2)cc1C 1731943400 FVKMDTWKNXZCDU-QGZVFWFLSA-N 324.396 1.680 10 10 DDCE COC12CCC(C(=O)NCc3c(O)cccc3O)(CC1)C(=O)C2 1647289830 JRFUGSZASCFBAF-UHFFFAOYSA-N 319.357 1.632 10 10 DDCE O=C(Cc1nc(C2CCOCC2)n[nH]1)NCc1ccccc1O 1595799934 KFVMPEGZGBIFJM-UHFFFAOYSA-N 316.361 1.263 10 10 DDCE CCN(CC)CCNC(=O)CCNCc1ccc(N(C)C)cc1 1857858790 HMBCETGGMVORAW-UHFFFAOYSA-N 320.481 1.690 10 10 DDCE Cc1c(OCCCC(N)=O)c(=O)ccn1Cc1ccc(N)cc1 1857920168 RBIBEJCYVLEZEG-UHFFFAOYSA-N 315.373 1.432 10 10 DDCE COC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1885560333 BIMWPIXEGWGAQX-GFCCVEGCSA-N 301.347 1.343 10 10 DDCE CC[C@H](C)N(CCOC)S(=O)(=O)Cc1ccc(N)cc1 42563152 HGDLJGFRYIMNLV-LBPRGKRZSA-N 300.424 1.846 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC[C@H]2CCSC2)cc1 704816305 UKZYOIFJQXKLFV-NSHDSACASA-N 300.449 1.831 10 10 DDCE CN1CCN(c2ccc(CO)cc2Br)C[C@@H]1CO 687596655 ZWLXDZSNSKZXJK-LLVKDONJSA-N 315.211 1.054 10 10 DDCE CCN(c1ccc(CN)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 387169541 AGSCWJTXPIUBHP-GFCCVEGCSA-N 302.827 1.812 10 10 DDCE Nc1ccc(OCCN=c2ccnc(Br)[nH]2)cc1 2044044296 LFIQAXZNCHYQAN-UHFFFAOYSA-N 309.167 1.734 10 10 DDCE CC(C)(C)S(=O)(=O)CCNCc1ccc(O)c(O)c1O 2191406466 MCHLMSARRVQBBQ-UHFFFAOYSA-N 303.380 1.106 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2NCCOC2(C)C)s1 2269199451 KBCQYCPOXLYXFV-SECBINFHSA-N 301.437 1.248 10 10 DDCE COc1cc(OC)c(N2CCN(C)[C@H](CO)C2)cc1Cl 2285871893 PPBNXDIXGNYKCV-JTQLQIEISA-N 300.786 1.470 10 10 DDCE COC(=O)C=Cc1ccc(N2CC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])c1 2311028564 SXMXFOJUJPRTPC-IAQYHMDHSA-N 320.345 1.988 10 10 DDCE Cn1nc(Br)nc1[C@@H](O)[C@H](N)c1ccccc1O 2328446142 XMIWNOHIDPROFC-BDAKNGLRSA-N 313.155 1.017 10 10 DDCE CN(C)S(=O)(=O)CCCNCc1c(O)cccc1Cl 2341865540 KGBCQIBQHYKPSG-UHFFFAOYSA-N 306.815 1.417 10 10 DDCE CO[C@H]1CN(c2cc(Cl)c(CN)cc2F)[C@@H]2COC[C@@H]21 2355630128 CKZDUKRDKIYFDC-FZZIBODNSA-N 300.761 1.788 10 10 DDCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\N1CCCC1 104799785 KZLYDOMNNNOSNR-KTKRTIGZSA-N 319.361 1.553 10 10 DDCE COc1ccc(N2CCN([C@H](CN)CCSC)CC2)cc1 57844211 MFIPBJJYYBXCGE-HNNXBMFYSA-N 309.479 1.898 10 10 DDCE C[C@@H](N)c1cc(F)c(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(F)c1 2361611975 MVVHHYFONGDYTN-GMEUVTARSA-N 302.346 1.218 10 10 DDCE Cc1[nH]ncc1S(=O)(=O)N(Cc1ccc(N)cc1)C1CC1 37730317 OJGTUIXBGWKPQL-UHFFFAOYSA-N 306.391 1.654 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CCN(C2CC2)CC1 127908641 YPWOVMZKRYOKRZ-UHFFFAOYSA-N 301.434 1.803 10 10 DDCE Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(O)c1O 182969560 SEKJJKSKRLGQGI-LLVKDONJSA-N 302.334 1.892 10 10 DDCE CC(F)(F)CS(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2366928539 PANCBNDPXHWTOT-UHFFFAOYSA-N 307.318 1.441 10 10 DDCE Nc1ccc(OCCS(=O)(=O)Nc2cccc(F)n2)cc1 228289360 CVXMMBRDVWAEOJ-UHFFFAOYSA-N 311.338 1.624 10 10 DDCE COc1ccc(N2CCN(C(=O)c3ccnc(N)c3)CC2)cc1 82320392 CHJLUJHQDYYSHO-UHFFFAOYSA-N 312.373 1.635 10 10 DDCE Nc1ccc(OCCn2cncc(Br)c2=O)cc1 90764349 LOFAOFGEIVJLGW-UHFFFAOYSA-N 310.151 1.667 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](O)C2)cc1Br 235515164 VAKBHHBHRUXHAW-QILRFPOHSA-N 301.184 1.011 10 10 DDCE CCNCc1ccc(OC)c(CN(C)CCS(C)(=O)=O)c1 94298119 ZLVIEALPLCYWSX-UHFFFAOYSA-N 314.451 1.281 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCOC[C@H]2c2ncno2)c1O 809562762 JSPLLAAAVLFEGX-ZDUSSCGKSA-N 321.308 1.690 10 10 DDCE CCOC(=O)C(F)(F)[C@H](N)c1cc(C)cc(C(=O)O)c1O 725275216 IHPSGSAIGPHXCL-SNVBAGLBSA-N 303.261 1.597 10 10 DDCE Cc1cc(O)c(CN2CCN(c3nncn3C)CC2)cc1Cl 826535521 YWJINVTXTUGAHV-UHFFFAOYSA-N 321.812 1.805 10 10 DDCE COC[C@](C)(O)CCNC(=O)NCc1ccc(N(C)C)cc1C 836535142 YXDCBKGGIVZITF-QGZVFWFLSA-N 323.437 1.648 10 10 DDCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](CF)C(=O)O 908847090 HOVZFFGFLRCVGU-CYBMUJFWSA-N 309.341 1.509 10 10 DDCE C[C@H](O)C(=O)N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 835028026 IHDHCSQGNPIJOU-RGDDUWESSA-N 317.433 1.291 10 10 DDCE COc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cnn1C 839728800 OTDNZVYEESMMJI-LLVKDONJSA-N 302.378 1.986 10 10 DDCE C[C@H](NC(=O)N1CCn2nncc2C1)c1ccc(N(C)C)cc1 847357161 WDXQHIMIEBJBAI-LBPRGKRZSA-N 314.393 1.631 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3C[C@H]4[C@H](C3)C4(F)F)cc2N1 845755085 UFMWEGUFSRQTRX-BQBZGAKWSA-N 311.244 1.627 10 10 DDCE COc1ccc(N2CCN(C[C@@H]3C[C@@H]4COC[C@H]4O3)CC2)cc1 929153093 OVUHLSQFCXIPQB-FHLIZLRMSA-N 318.417 1.621 10 10 DDCE COc1ccc(N2CC[C@@H](N[C@H](C)c3cnnn3C)C2)cc1 926680462 ORRXQTHXFYOQMH-CHWSQXEVSA-N 301.394 1.753 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccnn1 858626123 PSHSGYNRGHNURO-UHFFFAOYSA-N 316.336 1.382 10 10 DDCE CCNC(=O)C1(CNC(=O)NCc2c(O)cccc2F)CCC1 922186450 OKNAALGQOPUPQF-UHFFFAOYSA-N 323.368 1.637 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H]4COC[C@H]4C3)cc2N1 853933834 KJDMLNHUNTWAAB-NXEZZACHSA-N 319.317 1.398 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2COCCN2C)c1 858523030 LIBBXPYWEIBINV-DGCLKSJQSA-N 308.378 1.160 10 10 DDCE CCOc1cccc(CN[C@H]2CC[C@@H](C)S(=O)(=O)C2)c1O 850368131 IZUPNVRDUXDIGV-YPMHNXCESA-N 313.419 1.846 10 10 DDCE CCC[C@@H](O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854300970 FJXLARQNLPNZPG-UKRRQHHQSA-N 321.421 1.734 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3OC)CC2)cc1F 934405564 IUZIMQRTXVLJQA-IUODEOHRSA-N 308.353 1.518 10 10 DDCE CN(C)c1cc(F)c(CN2CC[C@@]3(CNC(=O)C3)C2)cc1F 862351023 DNWWVFXGCWHLTP-MRXNPFEDSA-N 309.360 1.743 10 10 DDCE COc1ccc(N2CCN(CC3(O)CCC3)CC2)c(OC)c1 879462321 OGEGVXDMNGGUMA-UHFFFAOYSA-N 306.406 1.741 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cn(C)nn1 783014260 WRVYFVKCPMSZJU-UHFFFAOYSA-N 302.382 1.223 10 10 DDCE CON(CCNC(=O)OC(C)(C)C)Cc1cc(N)ccc1O 1959527902 CQIRHZAGIXMEIQ-UHFFFAOYSA-N 311.382 1.863 10 10 DDCE C[C@@H](NC(=N)NCc1ccc(N2CCOCC2)cc1)C1CC1 899265867 KZSFMACLSWLVRI-CYBMUJFWSA-N 302.422 1.936 10 10 DDCE Cn1[nH]c(CNCc2ccc(Br)cc2O)cc1=O 701016651 YYVGKCQZVKFVCB-UHFFFAOYSA-N 312.167 1.471 10 10 DDCE [N-]=[N+]=NCCN[C@@H](C(=O)O)c1ncc(Br)s1 714035340 ZGAMWAMVXFFAEO-RXMQYKEDSA-N 306.145 1.931 10 10 DDCE CCOC(=O)c1cnn2c(O)cc(CN3[C@H](C)C[C@H]3C)nc12 791578222 RGOOPWBYFOFJBU-NXEZZACHSA-N 304.350 1.594 10 10 DDCE O=C(C[C@H]1COc2ccccc2O1)NCc1ccc(O)cc1O 1162278508 JHOLIBOTIQAACS-ZDUSSCGKSA-N 315.325 1.944 10 10 DDCE O=C(NCC1(CF)CCOCC1)c1c(F)ccc(O)c1O 1324834219 KTCPUDYJMZXAQG-UHFFFAOYSA-N 301.289 1.733 10 10 DDCE O=C(COCCOc1ccccc1)NCc1cccc(O)c1O 1455321047 WKDKLCSMCYFCRD-UHFFFAOYSA-N 317.341 1.810 10 10 DDCE Cc1nnc(CC(=O)NCc2ccc3cccnc3c2O)s1 1469249782 OLURIEMXOYXBJP-UHFFFAOYSA-N 314.370 1.959 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 1610066534 RTRWCMHGHGWOTE-LYRGGWFBSA-N 303.358 1.714 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCc2n[nH]c(C)n2)c1 1471522288 WHLCLEDBATVBDT-MRVPVSSYSA-N 305.338 1.388 10 10 DDCE O=C(NCc1cc(=O)c2ccccc2[nH]1)c1cccc(O)c1O 1558039760 URKUHDLFZBTAJY-UHFFFAOYSA-N 310.309 1.869 10 10 DDCE COc1cccnc1CNC(=O)/C=C/c1ccc(O)c(O)c1 1557040373 ZFEJOVQBZUHXGN-FNORWQNLSA-N 300.314 1.831 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCC2(O)CCOCC2)cc1 1635145545 VXUMBAPWJCFBJX-UHFFFAOYSA-N 320.349 1.510 10 10 DDCE CC/C=C(\C)C(=O)NC[C@@H](O)CNCc1ccc(OC)c(C)c1 1732634507 MSYYKNBMZBJMML-XNWJVHIKSA-N 320.433 1.927 10 10 DDCE CCCn1cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)nn1 1644785342 RHJFJMKQYJZNLG-UHFFFAOYSA-N 315.337 1.781 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC(N[C@H]3CCOC3)C2)cc1 1652691176 VXLCDPJHNBWJIY-LBPRGKRZSA-N 317.349 1.052 10 10 DDCE CC(C)(C)OC(=O)N1CCN(CCCN=[N+]=[N-])[C@](C)(CO)C1 1962298064 BTJULTVSBGXSOF-AWEZNQCLSA-N 313.402 1.991 10 10 DDCE CCNCc1ccc(N(C)CC(=O)NC)c(C(F)(F)F)c1 163672918 BGJYDLIQCNXIGB-UHFFFAOYSA-N 303.328 1.997 10 10 DDCE OCCC[C@H](CO)NCc1cccc(Br)c1O 1942762459 RUJMBDATUVLINO-SNVBAGLBSA-N 304.184 1.378 10 10 DDCE COCCn1ccc(=O)c(OCCOc2ccc(N)cc2)c1C 1857911099 QEOKCSFYFTYYLG-UHFFFAOYSA-N 318.373 1.843 10 10 DDCE C[C@H](NCCNS(=O)(=O)C(F)F)c1ccc(F)cc1O 1964516751 VLQIUSCAYHCGLZ-ZETCQYMHSA-N 312.313 1.324 10 10 DDCE O=S1(=O)CC2(CCN(c3ccc(CO)c(Cl)c3)CC2)C1 2150341611 HEIKKKATCLICLN-UHFFFAOYSA-N 315.822 1.847 10 10 DDCE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)N1CC(N=[N+]=[N-])C1 1985106283 XSCPSCXWQPAEDT-UHFFFAOYSA-N 321.341 1.324 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CCC[C@@H]2CF)cc1 2171880116 GMTJGANYOPSZGW-GFCCVEGCSA-N 302.371 1.411 10 10 DDCE COC[C@@H]1CN(c2ccc(CN)cc2Br)CCO1 705820535 XNCHNPUIRVIEGX-NSHDSACASA-N 315.211 1.759 10 10 DDCE COc1ccc(O)c(CNCC(=O)NCc2ccccc2)c1 378884898 HKJJPAOSBVFIKQ-UHFFFAOYSA-N 300.358 1.807 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCCOC(C)(C)C3)c2n1 2064092375 WEOWXQQVPRMEDL-UHFFFAOYSA-N 304.350 1.384 10 10 DDCE CNCc1ccc(N2CC(O)(C(F)F)C2)cc1Br 2052062953 KTVKGYIOFHUOSU-UHFFFAOYSA-N 321.165 1.985 10 10 DDCE COc1cccc(CN=c2[nH]ccnc2Br)c1O 2057934645 ABIMZIHYWIVKLL-UHFFFAOYSA-N 310.151 1.987 10 10 DDCE C[C@H]1[C@@H](C)N(c2ccc(CO)cc2Cl)CCS1(=O)=O 2113962574 UOFADVVPYMWFGJ-ZJUUUORDSA-N 303.811 1.844 10 10 DDCE COc1ccc(C=C2SC(=S)N(CO)C2=O)cc1OC 2297312921 LACMJDFOPGPUAX-UHFFFAOYSA-N 311.384 1.855 10 10 DDCE Cc1ccc(CNS(=O)(=O)N(C)C)c(O)c1Br 2307465288 DUVXHQPPBKULJP-UHFFFAOYSA-N 323.212 1.359 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)COC(C)(C)C2)s1 2347799217 FDOCGXLAXGITET-LBPRGKRZSA-N 302.421 1.977 10 10 DDCE CCOc1c(/C=C2\C(=O)NC(=O)N(C)C2=O)cccc1OC 59860726 VARPNGUFPSHNOJ-CSKARUKUSA-N 304.302 1.186 10 10 DDCE O=C(NCC(=O)N1CCCC1)c1cc2cc(O)c(O)cc2s1 1353605937 NBXMEPQCVIKMHZ-UHFFFAOYSA-N 320.370 1.665 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCN3C[C@H](O)C[C@H]3C2)c1O 405282591 URAPRMZJSKLMSN-UONOGXRCSA-N 324.808 1.499 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)CC2CC(O)C2)c([N+](=O)[O-])c1 189834814 FOKULPOGKANAJJ-GQCTYLIASA-N 320.345 1.988 10 10 DDCE Cc1csc(CNC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)n1 40469080 KJUWFEOOYPSZND-JTQLQIEISA-N 307.375 1.049 10 10 DDCE Nc1ccc(CC(=O)NC2CCN(c3ccccn3)CC2)cc1 237897891 YSCHLNBLPLLVFT-UHFFFAOYSA-N 310.401 1.992 10 10 DDCE CNCc1ccc(N2CCOC[C@@H]2CO)cc1Br 234452334 MTNPVQBHMYCAEO-LBPRGKRZSA-N 315.211 1.366 10 10 DDCE COc1ccc(CNC(=O)COCc2cc(C)no2)c(O)c1 801300205 XJINGGHURNBQEE-UHFFFAOYSA-N 306.318 1.530 10 10 DDCE CN(C)c1ccc(CN(C(=O)N[C@H]2CCNC2=O)C2CC2)cc1 824306131 SKQLGHWEZYCPNE-HNNXBMFYSA-N 316.405 1.315 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@H](C(=O)O)[C@H]2CCOC2)cc1 901801643 SFPAADKXHGJNBX-XJNRFOTBSA-N 304.390 1.845 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@@H]1CCCN1c1nccs1 910948860 BKKXWMDABIFBKZ-LBPRGKRZSA-N 319.386 1.840 10 10 DDCE Cc1cc(Cl)cc(CN2CCN([C@@H]3CCNC3)CC2)c1O 843125170 YVPBTUTVOXLYPZ-OAHLLOKOSA-N 309.841 1.834 10 10 DDCE COCC1(CNCc2ccc(N3CCN(C)CC3)cc2)CC1 848564826 JOMZOTGSZOUGAM-UHFFFAOYSA-N 303.450 1.955 10 10 DDCE COc1ccc(N2CCCN(C(=O)NCCCN)CC2)cc1 841929255 IFUALUDAKMFUIW-UHFFFAOYSA-N 306.410 1.266 10 10 DDCE C[C@H]1CCCCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1 846254053 CAZHQDFMPGUDMM-JTQLQIEISA-N 304.350 1.755 10 10 DDCE CN1CCC(OCC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 929527602 SUKIKSDLPGUHIM-UHFFFAOYSA-N 319.449 1.822 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)cc1 855224770 HAEMNJWVGCIGDW-FWYOQMDTSA-N 302.374 1.283 10 10 DDCE C[C@H](NC(=O)N[C@@H]1CCc2c(nnn2C)C1)c1ccccc1O 868753528 PMSKNUSLECWZHR-WDEREUQCSA-N 315.377 1.438 10 10 DDCE CC(C)S(=O)(=O)CCNC(=O)N[C@@H](C)c1ccccc1O 868621187 RIYPYQLQMFDGTJ-NSHDSACASA-N 314.407 1.576 10 10 DDCE COc1ccc(N2CCN(C(=O)CN3CC[C@H]4C[C@@H]43)CC2)cc1 761097800 VRXMRRWVWPWSJC-YOEHRIQHSA-N 315.417 1.438 10 10 DDCE Cc1cnc(N)c(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1 769750782 AGLSEWSHCOFJSP-UHFFFAOYSA-N 320.418 1.517 10 10 DDCE CC(=O)c1cc(F)cc(Cn2cc(C[C@@H]3CCNC3)nn2)c1O 880995909 IBNFEHYXVKWXLI-NSHDSACASA-N 318.352 1.526 10 10 DDCE N=c1[nH]cc(Br)c(=NCCOc2ccc(N)cc2)[nH]1 2117264067 VBFNQWXZVLFKMY-UHFFFAOYSA-N 324.182 1.147 10 10 DDCE CC[C@](C)(NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043165 MTDUIKQWOKYCAM-MMPTUQATSA-N 312.410 1.945 10 10 DDCE CC(=O)C(=O)[C@]1(O)CSC2(CN(C(=O)OC(C)(C)C)C2)C1 1888638996 CSSPMGGKCYHFDK-CQSZACIVSA-N 315.391 1.002 10 10 DDCE CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2C[C@@H]2C)cc1 1257234813 XBIUQNYFGBSRBI-DZGCQCFKSA-N 317.433 1.921 10 10 DDCE CS(=O)(=O)c1cc(C(=O)N2CC(N=[N+]=[N-])C2)ccc1Cl 1912169432 KMVFUUCQAGYXCV-UHFFFAOYSA-N 314.754 1.878 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](CN2CCC[C@@H](N=[N+]=[N-])C2)C1 1912179953 YZPLPEYZWMZSDV-NWDGAFQWSA-N 301.416 1.433 10 10 DDCE CNC(=O)[C@H](C)N(C)c1ccc(CN)c(Br)c1 1916794054 BLAUQXIFEIJVPN-QMMMGPOBSA-N 300.200 1.479 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cccc(-n2cncn2)n1 1469159734 MGMADQWAIATIDO-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cc(O)nc(C2CC2)n1 1558175457 QZSICAXQHQBAJP-UHFFFAOYSA-N 301.302 1.401 10 10 DDCE C[C@]1(C(F)(F)F)CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1635999292 MGZLESRAAZNDPA-CYBMUJFWSA-N 319.279 1.820 10 10 DDCE O=C(NCc1nnc2ccc(Cl)cn12)c1cccc(O)c1O 1640999724 VIMTZIJZNCKMDL-UHFFFAOYSA-N 318.720 1.724 10 10 DDCE O=C1Cc2c(C(=O)NCc3c(O)cccc3F)ccnc2N1 1596917188 YMWKGAZDHPZAQU-UHFFFAOYSA-N 301.277 1.351 10 10 DDCE C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NCCF 1676489017 XSEUWTUCWGHYDS-SNVBAGLBSA-N 309.345 1.869 10 10 DDCE C[C@@H]1CO[C@@H](CO)CN1c1ccc(CN)c(C(F)(F)F)c1 167012108 WETVDIXURUSTDZ-BXKDBHETSA-N 304.312 1.750 10 10 DDCE C[C@H](COCC(=O)NCCN=[N+]=[N-])NC(=O)OC(C)(C)C 1885562288 DCPXZOVAOOGYCU-SECBINFHSA-N 301.347 1.343 10 10 DDCE Nc1ccc(CS(=O)(=O)NCc2nc(Cl)cs2)cc1 1888442231 JJZKOZABOAFKMQ-UHFFFAOYSA-N 317.823 1.998 10 10 DDCE COc1ccc(N2CCN(C(=O)CO[C@@H]3CCOC3)CC2)cc1 1323024412 GMWIPHKVARJIHY-MRXNPFEDSA-N 320.389 1.149 10 10 DDCE C[C@@H](c1ccc(F)cc1O)N(C)C[C@H]1CCS(=O)(=O)C1 2148786124 CWBXEZZWQDKUOA-WDEREUQCSA-N 301.383 1.959 10 10 DDCE NCc1ccc(N2C[C@@H]3COC[C@H]32)c(F)c1Br 2013472511 BBZKMWHKWQNEPJ-PSASIEDQSA-N 301.159 1.882 10 10 DDCE N[C@@H]1CN(Cc2cc(Br)ccc2O)[C@H]2COC[C@H]12 2040553894 JSZGWXHKCXGEAF-UTUOFQBUSA-N 313.195 1.313 10 10 DDCE Oc1cccc(Br)c1CNCCCn1ccnn1 706829103 JVSMTSMKWCSRCI-UHFFFAOYSA-N 311.183 1.926 10 10 DDCE C[C@H](N)c1ccc(N2CC(C)(CS(C)(=O)=O)C2)c(F)c1 2173201072 AZQTXENBWPQNOC-JTQLQIEISA-N 300.399 1.716 10 10 DDCE NC(=O)CCCCNCc1ccc(Br)cc1O 691430456 XSVMRGAJOWPNEJ-UHFFFAOYSA-N 301.184 1.900 10 10 DDCE CC[C@H](N[C@H]1CONC1=O)c1cc(Br)ccc1O 393800659 PXMFTNXHZDTUHL-UWVGGRQHSA-N 315.167 1.625 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)c1occc1CN1CCOCC1 2062140840 PKLLGZBCINQGRR-UHFFFAOYSA-N 318.329 1.775 10 10 DDCE CN(C[C@H]1OCC[C@@H]1F)S(=O)(=O)Cc1ccc(N)cc1 2179095436 HSSQGPLATRKRHD-QWHCGFSZSA-N 302.371 1.157 10 10 DDCE Cc1cnsc1NS(=O)(=O)CCOc1ccc(N)cc1 2171037032 PYUPMIIMKYSNIZ-UHFFFAOYSA-N 313.404 1.854 10 10 DDCE Cn1c(Br)nnc1CNCc1ccc(O)cc1O 2057834691 GUPQMSJWBJVQGE-UHFFFAOYSA-N 313.155 1.279 10 10 DDCE NCc1ccc(N2CC(OCCCO)C2)cc1Br 2085892443 IBPRXVQYGCVVFL-UHFFFAOYSA-N 315.211 1.495 10 10 DDCE CC1([C@@H]2CCCN(C(=O)Cc3ccc(N)cc3)C2)OCCO1 2089604360 IQOHLJXXPHVUSC-CQSZACIVSA-N 304.390 1.813 10 10 DDCE CN(C(=O)COc1ccc(N)cc1)C1CSCCSC1 2237074869 BCJJEBYCQIKTSH-UHFFFAOYSA-N 312.460 1.955 10 10 DDCE CO[C@@H]1[C@@H](O)C[C@@H]1NCc1c(O)cccc1Br 2249802190 DSFMEXPZUUMDNM-DLOVCJGASA-N 302.168 1.393 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@H]2CC(=O)O)s1 2269132461 DDUNOKZUHBBZFN-ZETCQYMHSA-N 301.393 1.624 10 10 DDCE Cc1cc(NS(=O)(=O)c2n[nH]c(=N)s2)cc(C)c1O 2340838816 HCOXURHNJRVCOS-UHFFFAOYSA-N 300.365 1.074 10 10 DDCE CS[C@@H]1CC[C@@H]1N(C)S(=O)(=O)Cc1ccc(N)cc1 2353330480 RXFYVCHXVXIORI-QWHCGFSZSA-N 300.449 1.924 10 10 DDCE COCCN1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C 117321943 FNJFDDSXQYXVSN-GFCCVEGCSA-N 308.378 1.273 10 10 DDCE CC[C@@H](CO)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 180872795 QNBRBTAEQHKRAC-YVZNUBBCSA-N 320.389 1.026 10 10 DDCE COc1cc(Cl)c(N2C[C@H](OC)C[C@H]2CN)c(OC)c1 2368110886 NBSXIMDIUNBTKE-GXSJLCMTSA-N 300.786 1.910 10 10 DDCE COc1c(I)cc(O)c2c1CC[C@@H]2N 238417293 LNRBESPXQVNMSK-ZETCQYMHSA-N 305.115 1.951 10 10 DDCE CN(C(=O)/C=C\c1ccc(N2CCOCC2)cc1)[C@@H]1CCNC1 255441371 VWAJXLPKDAOKHM-DANOYGIBSA-N 315.417 1.357 10 10 DDCE Cc1cc(Cl)cc(CN[C@H]2CCc3nnnn3CC2)c1O 817419071 OWCUHKVZCUJBQX-LBPRGKRZSA-N 307.785 1.835 10 10 DDCE Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cscn1 827160689 SVAYYTDKOYASKH-UHFFFAOYSA-N 311.432 1.996 10 10 DDCE CN(C)c1ccc(CNC(=O)NC2CCC(C(N)=O)CC2)cc1 732231979 SMVQFVCCORFCEG-UHFFFAOYSA-N 318.421 1.596 10 10 DDCE C[C@H](NC(=O)c1nnn(C(C)(C)C)n1)c1ccc(N(C)C)cc1 832436217 JGUSSVDGNUCTBI-NSHDSACASA-N 316.409 1.985 10 10 DDCE CN(C)c1ccc(CNC(=O)NCC[C@@]2(O)CCOC2)cc1 844777055 DCYMIVIIAVSEQJ-MRXNPFEDSA-N 307.394 1.093 10 10 DDCE C[C@H](O)[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 840977435 KRDUPLMANDIJMY-YOEHRIQHSA-N 306.406 1.105 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)c1O 842163779 SJYYQMFPBQMNDZ-NEPJUHHUSA-N 324.396 1.621 10 10 DDCE CN(CC(=O)N1CCNCC1)Cc1c(O)ccc(Cl)c1F 843045003 PWZQXRCLEZLVBW-UHFFFAOYSA-N 315.776 1.048 10 10 DDCE COc1ccc(O)c(CN2CC[C@@H](Nc3ncccn3)C2)c1 843414419 DGRDZIVHSJAUHY-CYBMUJFWSA-N 300.362 1.877 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)NC3CC3)C2)cc1 852843629 CWHFQCYXHCZFNM-OCCSQVGLSA-N 303.406 1.531 10 10 DDCE O=C(NCc1cc(NC(=O)C2(F)CC2)ccc1O)C1(F)CC1 923118737 LCACTNDREOQEAZ-UHFFFAOYSA-N 310.300 1.951 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CCn3cccn3)C2)cc1 855232119 NSMMBBUXLZRCFT-AWEZNQCLSA-N 314.389 1.677 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](CO)c2ccnn2C)c1 858434275 DKAVGFYGSOJWFB-MFKMUULPSA-N 319.361 1.297 10 10 DDCE O=C(c1cccc(O)c1O)N1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 857279582 ASLSPYYCCDPFQI-WZRBSPASSA-N 307.346 1.100 10 10 DDCE COC1CCN(S(=O)(=O)N2Cc3cccc(O)c3C2)CC1 867690515 GMRFSYMRZOEJAM-UHFFFAOYSA-N 312.391 1.063 10 10 DDCE C[C@@]12CCC(=O)N1[C@H](C(=O)N1Cc3cccc(O)c3C1)CS2 871198584 JXXNCBGUPSHMBA-BLLLJJGKSA-N 318.398 1.688 10 10 DDCE COc1ccc(O)c(CNC(=O)c2ccnc3[nH]c(C)nc23)c1 797942489 SLCVIGXPFHLREF-UHFFFAOYSA-N 312.329 1.911 10 10 DDCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1COCCO1 1304795030 VOEQVBCLTDXYHO-AWEZNQCLSA-N 318.377 1.344 10 10 DDCE O=C(Cc1n[nH]c2c1CCCC2)NCc1c(O)cccc1O 1178911735 PAVXNGLVXRMVOA-UHFFFAOYSA-N 301.346 1.559 10 10 DDCE COc1ccc(O)c(CN2C[C@@H](O)CC3(CCOCC3)C2)c1 1331579753 KIVPYWAPYVNITE-AWEZNQCLSA-N 307.390 1.764 10 10 DDCE CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cc1ccc(O)c(O)c1 1443610273 RKGZBDREMHNRKS-AWEZNQCLSA-N 322.405 1.210 10 10 DDCE C[C@@H]1OC(=O)N[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1440711512 BSQMHCLVWRTQRD-WFASDCNBSA-N 317.389 1.742 10 10 DDCE CCN[C@H](c1ccccc1O)[C@@H](O)CNC(=O)OC(C)(C)C 1922497164 XVXNQVXNEWPMIX-UONOGXRCSA-N 310.394 1.928 10 10 DDCE C[C@H](NC[C@H](O)CN(C)CC(F)(F)F)c1ccccc1O 1620504957 INGNXDFZZFQZEE-QWRGUYRKSA-N 306.328 1.898 10 10 DDCE CCN(CC)c1ccc(CN(C)C(=O)[C@H]2C[C@H]2C(N)=O)cc1 1628857546 BXWCVDUPYOCTGO-CABCVRRESA-N 303.406 1.613 10 10 DDCE C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@]1(C)CO 1640824760 QJXYSHUDFKNNCS-BMIGLBTASA-N 304.350 1.940 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cc(CN2CCCC2)on1 1652625358 CLHYPKGAJWDHEH-UHFFFAOYSA-N 317.345 1.612 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2cc(=O)c(OC)c[nH]2)c1 1595806561 PAHZMUSBTDACFU-VIFPVBQESA-N 318.329 1.589 10 10 DDCE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)NCc2ccccc2O)n1 1684322115 IMCPKKDMZOTVJX-WCQYABFASA-N 318.333 1.413 10 10 DDCE COc1ccc(CNCCN(C)C(=O)CN(C)C(C)=O)cc1C 1691262960 YIJKFFHWEPIGKM-UHFFFAOYSA-N 321.421 1.030 10 10 DDCE Nc1ccc(CCNC(=O)CNC(=O)Cc2ccccc2)cc1 152492377 UJOZZMWQIYPNKA-UHFFFAOYSA-N 311.385 1.286 10 10 DDCE CCOc1cccc(CNCC(=O)NC2=NCCS2)c1O 1857853894 JDXHDUUKBNHFPY-UHFFFAOYSA-N 309.391 1.100 10 10 DDCE COc1ccc(Br)c(CNC[C@@H](CO)OC)c1O 1964068006 KLTKZAFFEBJIEF-QMMMGPOBSA-N 320.183 1.260 10 10 DDCE CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N=[N+]=[N-])C1 1885562337 DSHZEEQZIIQJFL-SECBINFHSA-N 315.399 1.764 10 10 DDCE O=S(=O)(NCCCNCc1cc(Cl)ccc1O)C1CC1 1964611050 ZAGMPHAHXRDRFB-UHFFFAOYSA-N 318.826 1.607 10 10 DDCE COC1([C@H](C)NC(=O)c2cnn3c(O)cc(C)nc23)CCC1 2064841734 YZWVUQJXVPIBFX-JTQLQIEISA-N 304.350 1.431 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)c3cn(C)nc3C)c2n1 2064905316 YONNCLBIFWGZCP-VIFPVBQESA-N 314.349 1.276 10 10 DDCE CN[C@]1(C(N)=O)C[C@@H](Sc2nccs2)CC[C@@H]1COC 2183650141 IRDAAEYUQJDSSQ-GBIKHYSHSA-N 315.464 1.494 10 10 DDCE CCn1cc(Br)c([C@@H](NN)c2ccccc2O)n1 2060857959 JZXANKNVIQUTDC-NSHDSACASA-N 311.183 1.924 10 10 DDCE C[C@@H](N=c1cc(Br)[nH]c(=N)[nH]1)c1ccccc1O 2072484944 RRZXKHXRJUGOIW-SSDOTTSWSA-N 309.167 1.952 10 10 DDCE OC[C@H]1COCC[C@@H]1NCc1cc(Br)ccc1O 2072977675 DKENWOFFSHACOM-JQWIXIFHSA-N 316.195 1.642 10 10 DDCE CN(CCS(=O)(=O)N(C)C)Cc1c(O)cccc1Cl 2094685183 STCPXPJWJIOSIY-UHFFFAOYSA-N 306.815 1.369 10 10 DDCE Cc1cc(O)cc(C)c1NS(=O)(=O)N1CCC[C@@H]1CO 2239669690 RGMSQWRXDRAQKF-LLVKDONJSA-N 300.380 1.122 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@H]2[C@@H](O)CO)cc1Br 2258342678 BDLRDJBDSCJYAR-JCOFBHIZSA-N 315.211 1.401 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CC[C@@H](C(=O)O)C2)s1 2269118123 FMLFEQSNTYJMBZ-HTQZYQBOSA-N 300.405 1.982 10 10 DDCE CC[C@H](C)N1C(=O)C(=CNNc2ccccc2)C(=O)NC1=S 2296940637 QPQYPPBJTAAHTE-JTQLQIEISA-N 318.402 1.529 10 10 DDCE CCOC(=O)c1sc(NN(C)S(=O)(=O)CC)nc1C 2339780491 CHAGUBMNKPQTTK-UHFFFAOYSA-N 307.397 1.237 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)C[C@@H]3OCC[C@@H]32)s1 2345376664 BESBLLSQVCGLQQ-AUTRQRHGSA-N 300.405 1.587 10 10 DDCE NC1C[C@H]2COC[C@@H](C1)C2(Sc1nccs1)C(=O)O 2351998731 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CC(C)(C)N1CC[C@@](F)(C(=O)NCCc2ccc(O)c(O)c2)C1 291287655 MRUGKMXWLGLJIA-KRWDZBQOSA-N 324.396 1.969 10 10 DDCE Oc1c(Br)cccc1CN1C[C@H]2COC[C@@H](C1)O2 802657274 APQLINMYIWVSAJ-PHIMTYICSA-N 314.179 1.754 10 10 DDCE C[C@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)c1ccccc1O 827956959 QLIMPFWMRJSGGC-AXTRIDKLSA-N 319.279 1.916 10 10 DDCE C[C@H](O)CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@H]1C 588405716 MLKONWFVADXDAF-RMKKPPKKSA-N 320.389 1.025 10 10 DDCE Cn1c2c(ccc1=O)[C@H](NC(=O)Cc1ccc(N)cc1)CCC2 846746597 DQENNGZCYAELGR-OAHLLOKOSA-N 311.385 1.704 10 10 DDCE O=C(COC(=O)[C@@H]1CCO[C@H]1C1CC1)c1ccc(O)c(O)c1 923202977 QREKLTFIIMVYEP-ABAIWWIYSA-N 306.314 1.639 10 10 DDCE C[C@@]1(C(=O)NCc2c(O)cccc2F)CCCS1(=O)=O 928709675 KVXNQDGWHSNYHT-ZDUSSCGKSA-N 301.339 1.115 10 10 DDCE CCC1(C(=O)N2CCN(c3ccc(OC)cc3)CC2)COC1 755038942 ASUUMLIEPDYORN-UHFFFAOYSA-N 304.390 1.770 10 10 DDCE Cc1cccc(-n2c(C)cc(CNC(=O)CNC(N)=O)c2C)c1 863162521 NNOYDXYQDQOMAH-UHFFFAOYSA-N 314.389 1.687 10 10 DDCE C[C@@H]1CC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)CN1 863485151 VMEQCBHVTKRZCU-UKRRQHHQSA-N 307.413 1.892 10 10 DDCE Cc1cc(O)c(CNCc2nc(O)cc(CN)n2)c(Cl)c1 863648468 WTOAPZJIJHTNKN-UHFFFAOYSA-N 308.769 1.598 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]32)cc1 1119712904 HILSRPUYABAPQO-CWRNSKLLSA-N 315.417 1.674 10 10 DDCE CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCN(C2CC2)C1 779516725 HAWSGNJBMQMEHK-UMSKNGNOSA-N 302.374 1.806 10 10 DDCE CCCN(Cc1cccc(F)c1O)[C@@H]1CCS(=O)(=O)C1 778994590 HGPQOCACHLMTDX-GFCCVEGCSA-N 301.383 1.930 10 10 DDCE C[C@H](N)c1ccc(N2CCSC[C@@H]2S(C)(=O)=O)cc1O 93671977 MTEFPLWPIHFESJ-ZANVPECISA-N 316.448 1.336 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)c2ccco2)cc1 1150099441 DJSCSRKHUGZFBI-LLVKDONJSA-N 302.290 1.905 10 10 DDCE Cc1nc(O)nc(O)c1CC(=O)NCc1cccc(Cl)c1O 1180419642 BXCWMANBIBCVMC-UHFFFAOYSA-N 323.736 1.414 10 10 DDCE Cc1cc(NS(=O)(=O)N2CCC[C@@H](O)C2)c(C)cc1O 1914131619 GCXMOMKWMGJUON-LLVKDONJSA-N 300.380 1.122 10 10 DDCE CCN(CC)S(=O)(=O)CCN1CCC[C@@H](CN=[N+]=[N-])C1 1912160013 PJSCWTKXFSZRLE-LBPRGKRZSA-N 303.432 1.680 10 10 DDCE C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1C(=O)/C=C/c1ccc(O)c(O)c1 1452463111 LKUIIFLTHBUNJL-KWPJDIJISA-N 318.373 1.612 10 10 DDCE CCOc1cc(CNCCC(=O)O)ccc1N(C)CC(=O)O 211981687 FYWQJDWFOTUEGN-UHFFFAOYSA-N 310.350 1.170 10 10 DDCE CN(CCCO)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 1712990871 KYOAKUYVTJTREA-UHFFFAOYSA-N 321.381 1.283 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCN1C(N)=O 1623574557 RGUDHAVLGWAZJK-JTQLQIEISA-N 312.366 1.037 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1nc2ccc(F)cc2[nH]1 1566028127 JWMQQLHOCNVYDA-UHFFFAOYSA-N 315.304 1.972 10 10 DDCE CCC(=O)N1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1 1641183991 CMINYCBZDDHWDM-UHFFFAOYSA-N 310.325 1.321 10 10 DDCE COC(=O)c1cc(N[C@H](C)Cc2ccc(O)c(O)c2)ncn1 1650960283 RHAVAGWTRVSIOZ-SECBINFHSA-N 303.318 1.718 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2cn(C)cn2)cc1C 1699401708 HHPPXTXEMHRJMI-ZDUSSCGKSA-N 316.405 1.645 10 10 DDCE C[C@H]1C[C@@H](CNCc2c(O)cccc2F)CCS1(=O)=O 1966091209 SPUBIUXTFRYNEX-QWRGUYRKSA-N 301.383 1.834 10 10 DDCE CC1(C)[C@@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1(F)F 2153678601 GSGDQLREQYWQGH-LLVKDONJSA-N 304.362 1.980 10 10 DDCE CNCc1ccc(N2C[C@H]3[C@@H](O)C[C@H]3C2)cc1Br 2033981906 XGZATDMHBBKNMP-SUHUHFCYSA-N 311.223 1.986 10 10 DDCE NC[C@H]1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1 2053855085 UGJURXFPIBKKEH-MRXNPFEDSA-N 315.417 1.344 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CCS[C@@H](CO)C3)c(Cl)cc21 720043000 DPEVBQDQIBOSTF-JMCQJSRRSA-N 313.810 1.206 10 10 DDCE CC[C@H]1CO[C@H](CC)CN1C(=O)c1cnn2c(O)cc(C)nc12 2062347059 VTUDYHUBPXRLHI-NWDGAFQWSA-N 318.377 1.773 10 10 DDCE CN(CCS(=O)(=O)N(C)C)c1ccc(CN)cc1Cl 2094689222 IFUBLVBCNUZDHO-UHFFFAOYSA-N 305.831 1.126 10 10 DDCE COc1cc(N(C)CCS(=O)(=O)C(C)C)ccc1CO 2204544366 AIJSUIGINAOCOP-UHFFFAOYSA-N 301.408 1.447 10 10 DDCE Oc1cc(Br)ccc1CNCCc1c[nH]nc1O 2223783842 LWENIWGJQANXGO-UHFFFAOYSA-N 312.167 1.916 10 10 DDCE COC1([C@H](N)C(=O)NCc2cnc(SC)s2)CCCC1 2284496557 CFGOXVHEWFBCQS-SNVBAGLBSA-N 315.464 1.768 10 10 DDCE O=C1NC(=O)N(C[C@H]2CCCO2)C(=O)C1=Cc1cccs1 2295934214 HYZNETGXVVCRQN-SECBINFHSA-N 306.343 1.389 10 10 DDCE CCCN=c1nc(C)[nH]c(=NCc2cnc(SC)s2)[nH]1 2284711605 KMCMXMIQPKQDFO-UHFFFAOYSA-N 310.452 1.636 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(c2c(O)cccc2O)C[C@@H]1C(=O)O 1952760605 GTZQMBNPDYEHFM-ANRSDYALSA-N 309.318 1.922 10 10 DDCE COCCNCc1cc(F)c(N2CCS(=O)CC2)c(F)c1 62737407 ARYUYYIKFLZKKW-UHFFFAOYSA-N 318.389 1.270 10 10 DDCE NC(=S)[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1 126148117 IDZZMDZVPZUVHX-GFCCVEGCSA-N 302.355 1.855 10 10 DDCE CC(C)S(=O)(=O)N(C)Nc1nc2c(s1)CC[C@@H]2C(=O)O 2365283732 WHPWKRDZKLSCAQ-ZETCQYMHSA-N 319.408 1.254 10 10 DDCE CCC[C@H](COC)NS(=O)(=O)CCOc1ccc(N)cc1 79734988 LQRIYTGVVZVNGG-CYBMUJFWSA-N 316.423 1.382 10 10 DDCE CC[C@@H](O)CN1CCN(Cc2cc(OC)c(OC)cc2O)CC1 180163635 USOINVUKYJVGDT-CQSZACIVSA-N 324.421 1.298 10 10 DDCE CC(=O)NN1C(=O)/C(=C\c2ccc(O)cc2O)SC1=S 83260605 KVSPVEOCHOAJTL-ONNFQVAWSA-N 310.356 1.350 10 10 DDCE COc1ccc(CNCCCS(=O)(=O)N(C)C)cc1C 2367616755 NMAWSVDVGOECNG-UHFFFAOYSA-N 300.424 1.375 10 10 DDCE C[C@H]1CCS(=O)(=O)CCN1Cc1cc2c(cc1O)CCC2 191347219 VWKJEOSNWJLVDT-LBPRGKRZSA-N 309.431 1.890 10 10 DDCE COc1ccc(CN2C[C@@H](N3CCOCC3)[C@H](C)C2)c(O)c1 245757845 OZUUTFBGJUHFHF-CZUORRHYSA-N 306.406 1.553 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)c1 378109445 JEAVXBCQYSOFQB-LLVKDONJSA-N 316.361 1.481 10 10 DDCE Cn1ncc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)n1 805144875 JQMSYSUZMFMTDU-UHFFFAOYSA-N 312.377 1.191 10 10 DDCE CCS(=O)(=O)NC1CN(c2ccc(CNC)cc2Cl)C1 2165585408 ZFAYKDRKFUJCHE-UHFFFAOYSA-N 317.842 1.187 10 10 DDCE C[C@H](NC(=O)NC1COCCOC1)c1ccc(N(C)C)cc1 813718927 JFZMSAAGCVBWBT-LBPRGKRZSA-N 307.394 1.528 10 10 DDCE CC(C)[C@@H](C)S(=O)(=O)C[C@@H](O)COc1ccc(N)cc1 722438453 FVYARFJHAKJQGS-YPMHNXCESA-N 301.408 1.468 10 10 DDCE COC(=O)CC[C@@H](N)C(=O)NCCCSc1nccs1 829528836 ZYIXWLQJGCRZAR-SECBINFHSA-N 317.436 1.022 10 10 DDCE CNCCNC(=O)NCc1cc(Br)ccc1O 841934835 LXDPQJNJGUZVDU-UHFFFAOYSA-N 302.172 1.173 10 10 DDCE C[C@@H](N[C@@H]1CNC[C@H]1C)c1ccc(N2CCOCC2)c(F)c1 925788225 ZGKBOGBPCDRBME-XJKCOSOUSA-N 307.413 1.921 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCN3C=O)C2)cc1 855226845 URXYXVCPMDRNEK-BBRMVZONSA-N 317.389 1.011 10 10 DDCE COc1ccc(N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc1 929153222 TYBFYYDEBYPMFQ-INIZCTEOSA-N 324.446 1.394 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC(CF)CF)C2)cc1 852364631 VVCKOJRLRPHZNV-NSHDSACASA-N 313.348 1.881 10 10 DDCE COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1cccc(OC)c1O 862516016 IOFBGBMYHGLUCL-GXTWGEPZSA-N 323.389 1.849 10 10 DDCE C[C@H](c1ccc(N(C)C)cc1)N1C(=O)[C@@H]2[C@@H](O)CCCN2C1=O 761578758 WUSYPWHJOHINON-UGFHNGPFSA-N 317.389 1.601 10 10 DDCE COc1cc(O)c(CNC[C@@H](CO)Cc2ccoc2)cc1OC 895591048 IMPXXGUCMOQWCW-ZDUSSCGKSA-N 321.373 1.943 10 10 DDCE NC(=O)N[C@H]1CCN(Cc2cccc(Br)c2O)C1 690731789 KUQAYXGZXBFIDK-VIFPVBQESA-N 314.183 1.397 10 10 DDCE COc1nscc1S(=O)(=O)N1CCC[C@H](N=[N+]=[N-])C1 714360250 UANCUPOPFHUCLB-ZETCQYMHSA-N 303.369 1.615 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@H]1CCCN1c1ncccn1 1153884746 HCNIAHRZWBBSHR-CYBMUJFWSA-N 314.345 1.173 10 10 DDCE CN1Cc2ccccc2[C@@H](NC(=O)c2cc(O)cs2)C1=O 1300995553 YFLZCQXPOFZMMT-CYBMUJFWSA-N 302.355 1.897 10 10 DDCE Cc1ccsc1[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1152135880 HDWATGZHVVGIIG-LLVKDONJSA-N 307.371 1.860 10 10 DDCE C[C@H](NC(=O)c1ccc(S(C)(=O)=O)o1)c1ccccc1O 1302538404 PZSJKYFVDRZFJD-VIFPVBQESA-N 309.343 1.880 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2cnn(C)c2)cc1C 1275070483 DCQNQLRGGDDIPP-ZDUSSCGKSA-N 316.405 1.645 10 10 DDCE C[C@H](O)c1ncc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 1296247495 VEFZRQNLBNOULP-BDAKNGLRSA-N 322.386 1.969 10 10 DDCE CC1(C)COC(=O)[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1297569485 BDWHYINPDUZXIL-SNVBAGLBSA-N 304.306 1.530 10 10 DDCE O=C(c1sccc1-n1cnnn1)N1Cc2cccc(O)c2C1 1471355850 XSKYCKLIZBQWHD-UHFFFAOYSA-N 313.342 1.585 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(NC(N)=O)CC1 1540567584 RHQBPUORMFPMSG-UHFFFAOYSA-N 316.405 1.446 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1cn(-c2cccnc2)nn1 1622317437 KLULOMYGFMLFDT-UHFFFAOYSA-N 309.329 1.640 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cccc2oc(O)nc12 1622743762 HYOLBZXJRJHPSD-UHFFFAOYSA-N 314.297 1.917 10 10 DDCE COc1ccc(CNC[C@@H](C)N(C)C(=O)CNC(C)=O)cc1C 1715316741 FDYCNVQGCDWDAY-CYBMUJFWSA-N 321.421 1.076 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@]1(O)CCc2ccccc2C1 1635846968 FBPLNHALAZCUDR-SFHVURJKSA-N 313.353 1.634 10 10 DDCE CC(C)NC(=O)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1638043982 BXZSGCHJJIGJFK-SECBINFHSA-N 305.338 1.492 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)cc1 1642198379 NJLCJZAWTLOMCC-RYUDHWBXSA-N 315.333 1.342 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cccn(C2CC2)c1=O 1645363363 SDIUZNNDBNRIAE-UHFFFAOYSA-N 300.314 1.524 10 10 DDCE COc1ccc(N(C)CCN(C)C[C@@H](O)C2(O)CCCC2)cc1 1654946691 AQWUDWUIBUPFBG-QGZVFWFLSA-N 322.449 1.729 10 10 DDCE Cc1cc(O)cc(=O)n1CC(=O)NCc1c(O)cccc1F 1596911409 FYHKGPYXWRACFQ-UHFFFAOYSA-N 306.293 1.023 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NCc1ccc(N)cc1 1939201530 ZMVURVFQFRTVOQ-UKRRQHHQSA-N 321.421 1.898 10 10 DDCE CN(CCC(=O)O)C(=O)CCNCc1cc(Cl)ccc1O 1857864882 LRVJIPAHHHZUJP-UHFFFAOYSA-N 314.769 1.458 10 10 DDCE O=C1CCN[C@H]1c1cc(I)ccc1O 1951856539 QGOGSRQAHQRFCY-JTQLQIEISA-N 303.099 1.600 10 10 DDCE NCc1ccc(N2CCC[C@]23CC[S@](=O)C3)c(F)c1F 2158464310 GHBDPJWBUCMHGQ-VLIAUNLRSA-N 300.374 1.915 10 10 DDCE COCCNCc1cnc(SCCS(C)(=O)=O)s1 2037792519 BQQGOKRHSBZRCH-UHFFFAOYSA-N 310.466 1.016 10 10 DDCE NCc1ccc(N2CCC[C@H]3C(=O)NC[C@H]32)c(Br)c1 300421577 OITGZCBOFNXECV-ZWNOBZJWSA-N 324.222 1.623 10 10 DDCE CNCc1ccc(OC)c(C[S@@](=O)CCC[S@@](C)=O)c1 320458688 YKHGOFHYBIFRQD-UXHICEINSA-N 317.476 1.432 10 10 DDCE COc1cc(S(=O)(=O)NCCc2ccc(N)cc2)sn1 717771973 PRQXEZMRWOVNMC-UHFFFAOYSA-N 313.404 1.255 10 10 DDCE CNC(=O)[C@H]1CCN(c2ccc(CN)c(Br)c2)C1 398496956 ILFZHKBGZZJQEU-JTQLQIEISA-N 312.211 1.480 10 10 DDCE C[C@@H](N)c1ccc(N2CCOC[C@@H](O)C2)cc1Br 399854153 ITOXMRAPTPXPHT-KOLCDFICSA-N 315.211 1.666 10 10 DDCE CN(C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1ccc(CO)cc1Cl 2174676354 YSDSJNYKAABATM-CNDDSTCGSA-N 315.822 1.559 10 10 DDCE CNCc1cc(OC)ccc1N(CC(N)=O)Cc1ccccc1 2211287180 UNIYKBZKXYLRSA-UHFFFAOYSA-N 313.401 1.907 10 10 DDCE CNC(=O)CN(Cc1ccccc1)c1ccc(OC)cc1CO 2211293745 VKKFJRYLFXUJKE-UHFFFAOYSA-N 314.385 1.940 10 10 DDCE COCC[C@H](NC(=O)NCc1cnc(SC)s1)C(=O)O 2284504728 OPPVXRLSONKUST-QMMMGPOBSA-N 319.408 1.154 10 10 DDCE CN1C(=O)NC(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])C1=O 2296740144 GUTFXWGJLKVBNU-UHFFFAOYSA-N 301.258 1.243 10 10 DDCE Oc1cccc(Br)c1CN[C@H]1CCC[C@@H](O)[C@H]1O 2312192427 XPTJTRRWAJMWEV-UHTWSYAYSA-N 316.195 1.519 10 10 DDCE COC[C@@H](N)C(=O)NCc1ccc(C)c(Br)c1O 2327792843 OHYZFPNSYCSVEW-SECBINFHSA-N 317.183 1.053 10 10 DDCE Nc1ccc(CS(=O)(=O)CC(=O)OCc2ccccc2)cc1 58237883 BQCOXQJSNDZXFR-UHFFFAOYSA-N 319.382 1.927 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@H]2CNC(=O)C2)cc1F 108996758 VNWCKKJZRMGIJC-GFCCVEGCSA-N 307.369 1.424 10 10 DDCE C[C@@H](NCC(C)(C)NS(C)(=O)=O)c1ccc(N(C)C)cc1 109041389 AFMVRKWEKCXADF-GFCCVEGCSA-N 313.467 1.731 10 10 DDCE O=C(NC1CCN(c2ccccn2)CC1)c1cccc(O)c1O 186937229 KMGOHIXFJRQLQN-UHFFFAOYSA-N 313.357 1.892 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)CCc2ccnn2C)c1 184979160 LSFNAECSVFERNR-NSHDSACASA-N 303.362 1.944 10 10 DDCE CCNC(=O)CCN(C)Cc1ccc(N2CCOCC2)cc1 79834385 JGZATYVGHWRGFA-UHFFFAOYSA-N 305.422 1.481 10 10 DDCE COc1ccc(N2CCCN(C(=O)C[C@H]3CCNC3)CC2)cc1 130521433 UTQWVQKGAQAPJX-OAHLLOKOSA-N 317.433 1.734 10 10 DDCE O=C(CNCc1cccc(Br)c1O)N1CCCC1 134491526 SSCRCXHOJRSEDE-UHFFFAOYSA-N 313.195 1.867 10 10 DDCE COc1ccc(NC(=S)N(C(C)=O)c2ccc(N)cc2)nn1 243859038 RICGQUIIYYLFAI-UHFFFAOYSA-N 317.374 1.817 10 10 DDCE COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(OC)c1O 273696104 CGBYWOSITKHLEG-MNOVXSKESA-N 315.753 1.162 10 10 DDCE C[S@@](=O)(CCCCN)=NC(=O)Cc1ccc(O)c(O)c1 2166623312 GSQBVWFCXOMQQX-HXUWFJFHSA-N 300.380 1.004 10 10 DDCE Cc1cc(C)c2c(c1)N(C(=O)c1ccoc1CC(N)=O)CCO2 652873570 ZLXLFIGIOZXBJZ-UHFFFAOYSA-N 314.341 1.963 10 10 DDCE C[C@H](NCC(C)(C)CS(C)(=O)=O)c1c(O)cccc1O 723879444 OKVOTGRAYXSRKJ-JTQLQIEISA-N 301.408 1.819 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NCC[C@@]2(O)CCOC2)c1 846192792 JQAXWRKUJVBVPE-BDJLRTHQSA-N 309.362 1.371 10 10 DDCE Nc1ccc(Cc2noc(C3C[C@H]4COC[C@@H](C3)C4=O)n2)cc1 843158294 BBTJBHJIOFKOPW-YHWZYXNKSA-N 313.357 1.952 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCNC[C@@H]1C 841825181 YHKKQWOKXYOIKS-XJKSGUPXSA-N 304.438 1.858 10 10 DDCE CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1c(O)cccc1F 928704902 GECBRHUWVWNINL-ZDUSSCGKSA-N 323.368 1.730 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCC23COC3)c([N+](=O)[O-])c1 853669366 ONJALUIUHGHMNK-HYXAFXHYSA-N 304.302 1.760 10 10 DDCE COc1ccc(N(CC(=O)O)CC(=O)NCC[C@H](C)F)cc1 853008306 NXCJEWCIRARTTF-NSHDSACASA-N 312.341 1.451 10 10 DDCE CN1CCCc2cc(CNC(=O)c3cn(C)ccc3=O)ccc21 931152252 MXCXVGUGBGLDMT-UHFFFAOYSA-N 311.385 1.698 10 10 DDCE COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]3C)CC2)c(OC)c1 868205148 WLLKWYZQNCOZLO-TZMCWYRMSA-N 319.405 1.944 10 10 DDCE CC(C)n1ncnc1CNCc1ccc(N2CCOCC2)cc1 865428044 NWGCKQIIDYXGEC-UHFFFAOYSA-N 315.421 1.985 10 10 DDCE CCc1cccc(CNC[C@]23COCCN2C(=O)OC3)c1O 864054605 WNRQQFOOLFLLLM-MRXNPFEDSA-N 306.362 1.265 10 10 DDCE CO[C@H]1CCn2cc(C(=O)NCc3ccc(O)c(O)c3)nc2C1 866768449 BAQPJIAQXYVWHY-NSHDSACASA-N 317.345 1.186 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@H]2C[C@@]2(CO)C1 897502067 HAOPTWSLZLJONJ-PSLIRLAXSA-N 305.355 1.767 10 10 DDCE CS[C@H](CO)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1137516177 XXXIVUHDMYBLCO-GZMMTYOYSA-N 310.379 1.691 10 10 DDCE CN(Cc1cc(F)cc(F)c1O)C1CC(S(C)(=O)=O)C1 708413776 NWKKGFQOIRTJMP-UHFFFAOYSA-N 305.346 1.678 10 10 DDCE CCN1CC[C@H](NCc2cc(Br)ccc2O)C1=O 708731195 WDKVQZKPBLFOHT-NSHDSACASA-N 313.195 1.865 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@H](O)C[C@@H]2CO)cc1Br 698125435 DQDQWOXKESADSJ-FBIMIBRVSA-N 316.195 1.434 10 10 DDCE CC1(C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCCO1 1348608308 VMIGQHRIGJSPLE-UHFFFAOYSA-N 318.373 1.262 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccc(-n2cccn2)nc1 1455313553 AAFNDOOJLUCXIG-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CCN(CCOCCO)C(=O)c1ccc(N=NC(N)=O)cc1 1467408592 ONBOEOHRYQTBQK-UHFFFAOYSA-N 308.338 1.320 10 10 DDCE COc1ccc2c(c1)CCN2C(=O)c1ccnc2c1CC(=O)N2 1464509432 CNAIOJSBHRPGMB-UHFFFAOYSA-N 309.325 1.788 10 10 DDCE COc1c(C(=O)NCCc2ccc(O)c(O)c2)ccnc1F 1622753442 WFKVJSOXFRUVOM-UHFFFAOYSA-N 306.293 1.613 10 10 DDCE Cc1ccc(O)c(CNC(=O)Cn2c([N+](=O)[O-])cnc2C)c1 1633287257 ZJVHFCZEKLNJFA-UHFFFAOYSA-N 304.306 1.430 10 10 DDCE CCOC(=O)c1cc(NC(=O)Cc2ccc(O)c(O)c2)n[nH]1 1637768419 DDPPNKJWUPLWQG-UHFFFAOYSA-N 305.290 1.179 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)C2(CO)CCOCC2)c1 1631543933 YSVQMDQJDWBVEZ-LLVKDONJSA-N 309.362 1.367 10 10 DDCE COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1ccc(C)c(O)c1O 1634287731 DHKSBXFARNKDCO-JQWIXIFHSA-N 323.345 1.247 10 10 DDCE CC(C)(C)OC(=O)NC1([C@H](O)[C@@H](N)c2ccccc2O)CC1 1934385130 JIVJCURYEGGDBG-QWHCGFSZSA-N 308.378 1.810 10 10 DDCE CC(C)(C)OC(=O)NCCONC(=O)c1cccc(O)c1O 1962358190 IGIWWJKLAGLQJN-UHFFFAOYSA-N 312.322 1.284 10 10 DDCE CC[C@H]1SC(=S)N(CCC(=O)NCc2ccco2)C1=O 11635841 FGSSQFSRYYEQMX-SNVBAGLBSA-N 312.416 1.925 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)c(F)c1 2143667324 DGLLUDVJVJJLMF-WDEREUQCSA-N 300.399 1.716 10 10 DDCE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)N(C)CCN=[N+]=[N-] 1885560752 HWGZQUPFHSJUME-SECBINFHSA-N 301.347 1.295 10 10 DDCE OC[C@H]1CO[C@@H](CNCc2cc(Br)ccc2O)C1 1967894535 DFVOLAJRJKBMQC-JOYOIKCWSA-N 316.195 1.642 10 10 DDCE O=S1(=O)CC2(CC(NCc3ccc(Cl)cc3O)C2)C1 1967803300 UCFSFQFEQWPZIP-UHFFFAOYSA-N 301.795 1.712 10 10 DDCE CNc1nc(Sc2nccs2)nc(N2CCOCC2)n1 150291506 FCTHHMLKJAUIDP-UHFFFAOYSA-N 310.408 1.358 10 10 DDCE Nc1ccc(CCNS(=O)(=O)C[C@H]2CC[C@H](F)C2)cc1 2150400244 XRBDVFXKBCXVMD-STQMWFEESA-N 300.399 1.869 10 10 DDCE CS(=O)(=O)C1CN(c2ccc(CO)c(C(F)(F)F)c2)C1 2152280505 BUCBPSLXXSTXKL-UHFFFAOYSA-N 309.309 1.431 10 10 DDCE CO[C@@H]1CNCC[C@H]1Nc1c(N)cccc1Br 2016907926 KMSJAINMZSYFPI-GHMZBOCLSA-N 300.200 1.820 10 10 DDCE NCc1ccc(N2CCN(CCF)CC2)cc1Br 402516048 IXIIARCYSLEJHE-UHFFFAOYSA-N 316.218 1.999 10 10 DDCE C[C@@H](NCCN1CCCS1(=O)=O)c1ccc(F)cc1O 405348243 WVUGPQAUODBYJY-SNVBAGLBSA-N 302.371 1.217 10 10 DDCE C[C@@H](NCCN1CCCS1(=O)=O)c1cc(F)ccc1O 405339696 MLIBOHQZYBCCPP-SNVBAGLBSA-N 302.371 1.217 10 10 DDCE CCOC(=O)CCCNS(=O)(=O)Cc1ccc(N)cc1 81134021 HVIFLNKMIQQHMD-UHFFFAOYSA-N 300.380 1.032 10 10 DDCE C[C@@](CO)(NS(=O)(=O)Cc1ccc(N)cc1)C(F)(F)F 2161366231 QZERPPHWCYHAMS-JTQLQIEISA-N 312.313 1.002 10 10 DDCE CN(c1cc(Cl)c(CN)cc1F)C1CC(S(C)(=O)=O)C1 2177383160 JOSFJGQPJSPOTC-UHFFFAOYSA-N 320.817 1.950 10 10 DDCE CS[C@H]1CN(c2c(F)cc(CN)cc2F)C[C@@H]1N(C)C 2170717585 PZQQVOMLTLPJIR-STQMWFEESA-N 301.406 1.905 10 10 DDCE CN(CC1(F)COCCOC1)c1ccc(CN)cc1Cl 2187191711 HRRWXQCSHYQRBC-UHFFFAOYSA-N 302.777 1.990 10 10 DDCE COc1ccc(N2CCN(C(=O)C(=O)NC(C)(C)C)CC2)cc1 9859771 QASFCCKXMXELAE-UHFFFAOYSA-N 319.405 1.259 10 10 DDCE COc1cc(O)c(CN2CCC(C(=O)N(C)C)CC2)cc1OC 179433582 SUPXZHRQCPLZPD-UHFFFAOYSA-N 322.405 1.710 10 10 DDCE CC(C)(C)OC(=O)NCCO[C@@H](N)Cc1ccc(O)c(O)c1 1952710263 USZARHINJXGIAK-CYBMUJFWSA-N 312.366 1.466 10 10 DDCE NC(=S)c1cccc(CNC(=O)c2cccc(O)c2O)c1 126153349 CYXIYBVPQRRINK-UHFFFAOYSA-N 302.355 1.662 10 10 DDCE O=C1/C(=C\NNc2ccccc2)C(O)=NC(=S)N1C1CC1 33930315 PKDSYIXVOISCLL-FLIBITNWSA-N 302.359 1.733 10 10 DDCE NC(=O)c1coc(CNCc2ccc(N3CCOCC3)cc2)c1 189413933 IYXGIRXKUNOHDP-UHFFFAOYSA-N 315.373 1.505 10 10 DDCE Cc1nc(S(=O)(=O)N2CCC(N=[N+]=[N-])CC2)c(Cl)n1C 2364151871 QVLPLSOFCAQJCK-UHFFFAOYSA-N 318.790 1.845 10 10 DDCE Nc1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1 41507995 MXNSZRLFOHYGHA-UHFFFAOYSA-N 300.314 1.693 10 10 DDCE C[C@H](CN1CCCCC1)NS(=O)(=O)Cc1ccc(N)cc1 49500624 VODRQXSZELEFNA-CYBMUJFWSA-N 311.451 1.563 10 10 DDCE O=S(=O)(CCNCc1c(O)cccc1F)C(F)(F)F 2224285053 ISCHKPAWSSIEGX-UHFFFAOYSA-N 301.261 1.556 10 10 DDCE COc1ccc(N2CCN(CCN3CCOC[C@H]3C)CC2)cc1 192690909 MYSLVUGLXSGCNW-MRXNPFEDSA-N 319.449 1.538 10 10 DDCE Nc1ccc(O)c(CNS(=O)(=O)CCc2ccccc2)c1 149297643 RAPMKSBDELMTIA-UHFFFAOYSA-N 306.387 1.637 10 10 DDCE C[C@](N)(C(=O)O)c1cc(I)ccc1O 238486702 WLHCQQIMALFQNN-SECBINFHSA-N 307.087 1.255 10 10 DDCE C[C@@H](N)CCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255029355 NRQQPASPWHQWRU-HJHHMULASA-N 303.406 1.390 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1895031281 DDFQQUWASHHRIJ-ZDEQEGDKSA-N 324.421 1.945 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCO[C@@H](C3CC3)C2)c1O 365337097 OKDHOKHMBONRAF-CYBMUJFWSA-N 308.334 1.920 10 10 DDCE CC(=O)C(=O)CSc1nnc(SCc2ccccc2)n1N 808014428 HGDOJKAJPLZGQS-UHFFFAOYSA-N 322.415 1.534 10 10 DDCE COC(=O)[C@@H]1O[C@@H](C(=O)N[C@H](C)c2ccccc2O)C[C@H]1C 827956352 KREVXMCDYLFAEE-DMTCVQMQSA-N 307.346 1.536 10 10 DDCE CO[C@@]1(CN[C@@H](C)c2cc(C)ccc2O)CCS(=O)(=O)C1 903366388 UOCISZAQRSAQKP-SWLSCSKDSA-N 313.419 1.555 10 10 DDCE COc1cccc(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)c1O 830540432 JNMAXHPLTWHWFU-SNVBAGLBSA-N 301.346 1.545 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(N2CCC2)CC1 912875344 AVHAUBSKYRLXCU-HYXAFXHYSA-N 302.374 1.808 10 10 DDCE CCN1C[C@H](CN(C)c2ccc(OCC(=O)OC)cc2)OC1=O 846853142 RGGXBRHRXBZVPT-AWEZNQCLSA-N 322.361 1.515 10 10 DDCE CC(=O)N1CSC[C@@H]1c1nc(Cc2ccc(N)cc2)no1 843160228 WVJDNKZDXIJYOG-GFCCVEGCSA-N 304.375 1.837 10 10 DDCE CCN1CC[C@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O 925095356 HSYUYQOOYCUWCE-ZDUSSCGKSA-N 303.362 1.251 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H]3[C@@H]4C[C@@H]5[C@@H]3NC[C@@H]5C4)C2)cc1 925710960 CPJFYJNFOYABNY-WERNOVKHSA-N 313.445 1.860 10 10 DDCE CCN1OC[C@@H](N2CCCN(c3ccc(OC)cc3)CC2)C1=O 851733228 ODPIWUGTZRONOB-MRXNPFEDSA-N 319.405 1.370 10 10 DDCE C[C@@H]1CCN[C@H](C)[C@@H]1NCc1ccc(N2CCOCC2)cc1 923369876 MZPDMLNBKQARNG-IIDMSEBBSA-N 303.450 1.999 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCNC1=O 855141850 BCLGWLPFKHDCMY-NSHDSACASA-N 303.387 1.774 10 10 DDCE CCOC(=O)NCCC(=O)NCc1ccc2cccnc2c1O 862028843 LXDLNQUOOXHYPM-UHFFFAOYSA-N 317.345 1.693 10 10 DDCE O=C(NCc1ccc(N2CCCC2)cc1)[C@@H](O)c1cnc[nH]1 864861701 DTFONZFLXCLWGE-HNNXBMFYSA-N 300.362 1.360 10 10 DDCE COC(=O)C[C@H](NC(=O)c1cccc(O)c1O)C1CCCC1 899649280 KLSBJBVFEFWPGC-LBPRGKRZSA-N 307.346 1.950 10 10 DDCE CN(CC(=O)NC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 1135680917 IBXADSJPDHGKOF-UHFFFAOYSA-N 303.322 1.200 10 10 DDCE CCn1nccc1CN(CCO)Cc1ccc(N(C)C)cc1 793307088 IOFNOLFPWDBMJK-UHFFFAOYSA-N 302.422 1.964 10 10 DDCE CC(C)n1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)nn1 796028072 DEGGITHJEVVJMJ-UHFFFAOYSA-N 305.290 1.310 10 10 DDCE CNC(=O)Oc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1159259359 SSBFHPUMYKUFLQ-UHFFFAOYSA-N 316.313 1.997 10 10 DDCE O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cc(O)ccc1O 1176747801 BEOZHHPCANBFHJ-UHFFFAOYSA-N 302.286 1.865 10 10 DDCE CS(=O)(=O)C[C@@H]1CN(Cc2ccc(Cl)cc2O)CCO1 1665779681 ICPUDAGCDYTKGC-LBPRGKRZSA-N 319.810 1.291 10 10 DDCE C[C@H](O)c1ccc(N2CC(C)(C(N)=O)C2)c(Br)c1 1914221117 OMZOGOUCQHISMV-QMMMGPOBSA-N 313.195 1.814 10 10 DDCE CCOc1cc(CNCCC(=O)O)ccc1N1CCNCC1 212028929 CBGLTWQNWWIKCQ-UHFFFAOYSA-N 307.394 1.059 10 10 DDCE Cn1cc(C(C)(C)NC(=O)c2ccc(N=NC(N)=O)cc2)nn1 1627303465 YLXQLPRXIXTQLJ-UHFFFAOYSA-N 315.337 1.643 10 10 DDCE COc1ccc(CNCCCN(C)C(=O)c2ncc[nH]2)cc1C 1723014530 GNNXYCJMOFMGQM-UHFFFAOYSA-N 316.405 1.979 10 10 DDCE COC(=O)[C@@H](COC1CCC1)N(C)C(=O)c1cccc(O)c1O 1566401685 NOHRGSBFEXDSMJ-GFCCVEGCSA-N 323.345 1.281 10 10 DDCE CC(C)(C)OC(=O)NCC1(NCc2ccc(N)cc2)COC1 1929714461 KFEIULSUWZIHOC-UHFFFAOYSA-N 307.394 1.652 10 10 DDCE CC[C@H](NC1CCN(C[C@@H](O)COC)CC1)c1ccccc1O 156970100 DLUWQUBPHKDGIE-WBVHZDCISA-N 322.449 1.905 10 10 DDCE C[C@@H]1CN(c2ccc(CO)c(Br)c2)CC[S@]1=O 2004529914 MNZYEMZXXGZGTC-VVVCHXIZSA-N 318.236 1.899 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)cc2)CC[C@@H]1CO 1984273484 WTBXWJZUFZUIOH-DOMZBBRYSA-N 321.421 1.981 10 10 DDCE CCC(CC)N(CCO)S(=O)(=O)Cc1ccc(N)cc1 42483787 SXODFMGIAIIPDY-UHFFFAOYSA-N 300.424 1.582 10 10 DDCE COc1cccc(C2N3C[C@]4(C)CN2C[C@](C)(C3)C4O)c1O 2059110205 QTOJAHGTXQVLMB-UCUFBTAOSA-N 304.390 1.418 10 10 DDCE C[C@H]1CSC[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 397914660 CUJANSBSSQYMCX-GXFFZTMASA-N 316.448 1.319 10 10 DDCE O=C(O)c1cnn(Cc2cc(Br)ccc2O)c1O 2070582432 CJZAVIUSELZCNI-UHFFFAOYSA-N 313.107 1.803 10 10 DDCE C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1ccc(CN)c(F)c1F 2170277847 HYHXRIJSMGHOGA-DTWKUNHWSA-N 304.362 1.435 10 10 DDCE Cn1nc(Br)c(C(=O)CCc2ccc(N)cc2)n1 2220253550 YJZXEURZHKFBJA-UHFFFAOYSA-N 309.167 1.975 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@H]2[C@@H](O)CO)c(Br)c1 2258342096 MONXRLAYWNBFKK-HJIKLVIJSA-N 316.195 1.434 10 10 DDCE CSc1ncc(CNC(=O)N[C@H]2C[C@@H](CC(=O)O)C2)s1 2284557060 NOHWYIGWGINPFK-OCAPTIKFSA-N 315.420 1.918 10 10 DDCE N=C(NO)c1cnc(Sc2nnc3n2CCCCC3)s1 2296263976 YDDOYOYCRLWWTK-UHFFFAOYSA-N 310.408 1.916 10 10 DDCE Cc1ccc(CN=[S@](N)(=O)N(C)C)c(O)c1Br 2307451509 AADZVHJLZOVOSH-KRWDZBQOSA-N 322.228 1.781 10 10 DDCE COc1ccc(CNS(=O)(=O)Cc2ccc(N)cc2)cc1 21800024 FGEJKPCLPYLFBQ-UHFFFAOYSA-N 306.387 1.897 10 10 DDCE COC[C@H](C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 177288551 HRPNNALFKVPIAT-LBPRGKRZSA-N 310.369 1.765 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](N2CCOCC2)C1 181129199 JSNSLHQMUZJOKM-PMUGQKEBSA-N 318.373 1.044 10 10 DDCE CCOC(=O)CC1=NNC(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1 40177417 RJYNGDJFGBMQNF-FLIBITNWSA-N 318.289 1.330 10 10 DDCE C[C@@]1(Br)C[C@@H]1C(=O)NCc1ccc(O)c(O)c1 528867204 ZEAWQMHXNDMVMY-PRHODGIISA-N 300.152 1.888 10 10 DDCE CC(=O)N(C(=O)NCCCN1CCOCC1)c1ccc(N)cc1 243892432 RQMOQMNEWJFBHE-UHFFFAOYSA-N 320.393 1.054 10 10 DDCE CN(CC(=O)N1CCOC[C@@H]1C1CC1)c1ccc2c(c1)OCO2 362659353 QKSJSZOWTUBHBR-CQSZACIVSA-N 318.373 1.489 10 10 DDCE C[S@@](=O)CC1CN(c2ccc(CN)cc2C(F)(F)F)C1 2166658049 UOKQTIPWFORMNN-HXUWFJFHSA-N 306.353 1.979 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@@H](O)C2(C)C)cc1F 813051083 IBVWQIDBRSUMPU-CQSZACIVSA-N 309.385 1.947 10 10 DDCE O=C1N[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)CO1 827081407 IQKXVVZUHCZAQB-ZDUSSCGKSA-N 316.313 1.622 10 10 DDCE CCC[C@@H]1C(=O)NCCN1C(=O)/C=C\c1ccc(O)c(O)c1 588407529 GRRTVCAXXTWDAM-SMYYYNMVSA-N 304.346 1.238 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 837911186 FXGGXQUXMBMRNR-VIFPVBQESA-N 313.350 1.476 10 10 DDCE COCCn1cc(NC(=O)NCc2ccc(O)c(O)c2)cn1 745999044 YPKKCDBEEGGHJY-UHFFFAOYSA-N 306.322 1.262 10 10 DDCE CCN1C[C@@H](COC(=O)/C=C\c2ccc(O)c(O)c2)OC1=O 848731462 DDWUFTFJDOHMTM-QZPNVGJNSA-N 307.302 1.495 10 10 DDCE CCc1nc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)no1 844779989 YTLVEEGFBRXEHR-UHFFFAOYSA-N 318.377 1.849 10 10 DDCE Cc1cc(Cl)cc([C@@H](C)NC[C@@H](O)CS(C)(=O)=O)c1O 927028977 YKEQHJPUAMSDDF-MWLCHTKSSA-N 321.826 1.410 10 10 DDCE CCC(=O)N[C@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855232988 VLIOLCHIHSQUPC-OLZOCXBDSA-N 319.405 1.305 10 10 DDCE CN1C[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@]2(C)C1 933732230 GRYYMQNJRRWYNR-MJGOQNOKSA-N 315.461 1.907 10 10 DDCE CN1CC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 931442928 QEEZJYCHAIEEOV-MSOLQXFVSA-N 315.461 1.907 10 10 DDCE O=C(NCCC1CCS(=O)(=O)CC1)c1cc(O)cs1 768741475 GSGFPSBKEAAHQF-UHFFFAOYSA-N 303.405 1.398 10 10 DDCE CN(C)c1ccc(CN2CCC[C@@H]2CS(N)(=O)=O)cc1F 769427094 GJXHHVVSGZFAAL-GFCCVEGCSA-N 315.414 1.145 10 10 DDCE O=C1c2ccccc2C(=O)c2cc(-n3cc(CO)nn3)ccc21 62264597 XWMYHCXHCQAHJT-UHFFFAOYSA-N 305.293 1.535 10 10 DDCE C[C@H](NC(=O)NCc1cn(C)nn1)c1ccc(N(C)C)cc1 773441354 OFSQKPABNIAOFG-NSHDSACASA-N 302.382 1.442 10 10 DDCE NNc1ccc(O)c2c1C(=O)c1c(O)ccc(Cl)c1C2=O 1073233963 VADWVKWRBQETDP-UHFFFAOYSA-N 304.689 1.812 10 10 DDCE Cc1nc(O)nc(S)c1C(=O)NCc1ccc(O)cc1O 1162278939 OFEKDHRZPFYIRW-UHFFFAOYSA-N 307.331 1.121 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]2C2CC2)cc1 1321419105 CSKJEPYZNGGDSK-LSDHHAIUSA-N 301.390 1.284 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1nnc(S)n1C1CC1 1292888534 VHFZIGIRGVNFCI-UHFFFAOYSA-N 320.374 1.172 10 10 DDCE Cc1ccc(O)c(CNC(=O)C2CC3(C2)CS(=O)(=O)C3)c1 1520359304 NWQCFBKLEDQQKN-UHFFFAOYSA-N 309.387 1.142 10 10 DDCE CC(=O)c1cc(F)cc(CN2CC[C@@]3(CCOC3=O)C2)c1O 1460975470 PBTRPBMLQQEIME-MRXNPFEDSA-N 307.321 1.873 10 10 DDCE C[C@H](Cn1cncn1)NC(=O)c1cc2cc(O)c(O)cc2s1 1631706387 JDNBHABFRGTLMI-MRVPVSSYSA-N 318.358 1.723 10 10 DDCE CCOCCN[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1491693758 VVUYLDXDIYWKGK-LLVKDONJSA-N 321.381 1.593 10 10 DDCE CC(=O)Nc1cccnc1C(=O)NCc1ccc(O)c(O)c1 1630273026 HLCLVGPSWSNKGD-UHFFFAOYSA-N 301.302 1.381 10 10 DDCE C[C@H](NC(=O)c1cn(C(F)(F)CO)nn1)c1ccccc1O 1642831316 WSBTVAZCPMTSHN-QMMMGPOBSA-N 312.276 1.016 10 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DDCE CSc1ncc(CN=c2[nH]c(=N)[nH]c3c2C[C@H](C)C3)s1 2284725506 JLXNOCWKPLLACL-ZETCQYMHSA-N 307.448 1.836 10 10 DDCE CN1C(=O)C(=Cc2ccc3c(c2)CCCN3C)C(=O)N(C)C1=O 51968470 GJYJMCRJIUUWLF-UHFFFAOYSA-N 313.357 1.503 10 10 DDCE COc1ccnc(N2CCN(Cc3ccccc3O)CC2)n1 179556709 YTNHZCMJIYKUNI-UHFFFAOYSA-N 300.362 1.513 10 10 DDCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1ccnn1 175105481 PMHZEPWTPGONCW-UHFFFAOYSA-N 313.405 1.927 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](F)[C@@H](N)Cc1ccc(O)c(O)c1 1952903061 ZWURNQKYUXDYFQ-QWRGUYRKSA-N 314.357 1.830 10 10 DDCE COCCN1CCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 180754395 WZRWKEACAPDMJN-HZRUHFOJSA-N 320.389 1.338 10 10 DDCE C[C@H]1CCCN1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 187045129 XBGZMLOQKGDDRH-QMMMGPOBSA-N 301.324 1.441 10 10 DDCE Cn1cnc(CCNCc2cc(Br)ccc2O)n1 228781809 QZLAMLBKGKGYMA-UHFFFAOYSA-N 311.183 1.616 10 10 DDCE Cc1cc(Br)cc([C@H](N)CS(C)(=O)=O)c1O 95780865 WTLDCYWOKJNRIH-SECBINFHSA-N 308.197 1.508 10 10 DDCE C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)OCC(=O)C(C)=O 808499881 QGWGMUXXSGIOCU-SNVBAGLBSA-N 301.298 1.203 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(N)=O)cn1 808096352 HIQNARLAQLANME-UHFFFAOYSA-N 320.345 1.302 10 10 DDCE CCN(OC)C(=O)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 826532120 RTBFDAWPAJPIPP-GFCCVEGCSA-N 322.409 1.523 10 10 DDCE Cc1cc(Cn2cc(COc3ccc(N)cc3)nn2)c(C)nn1 905838062 PTAVKEPCJNHMHS-UHFFFAOYSA-N 310.361 1.894 10 10 DDCE CC[C@@H](NCCC(=O)NCCC(=O)OC)c1ccccc1O 839540848 NPEWJEVVXHERDL-CYBMUJFWSA-N 308.378 1.502 10 10 DDCE COc1cccc(CNC(=O)NCCc2ccc(N)cc2)n1 841769047 ICGMBCMEBIAKBK-UHFFFAOYSA-N 300.362 1.714 10 10 DDCE CCOc1cccc(CN2CCN(c3nncn3C)CC2)c1O 848924916 HEOKISBTFRVBOE-UHFFFAOYSA-N 317.393 1.242 10 10 DDCE C[C@@H]1C[C@H](O)CN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])C1 844213553 IZUSWIJMHXTIOV-PEWKINPCSA-N 306.318 1.900 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C[C@H](C)O)C2)cc1 854299073 KPPWHKYAKJWHGQ-RDBSUJKOSA-N 321.421 1.733 10 10 DDCE CN(C)c1cc(F)c(CNC[C@@H](O)[C@@H]2CCCO2)cc1F 858227642 WLMQRHVYCNWJFB-CABCVRRESA-N 300.349 1.660 10 10 DDCE COc1ccc(N2CC[C@H](N[C@H]3CCC(=O)NC3(C)C)C2)cc1 850487841 POFMBVRYBMSWLT-BBRMVZONSA-N 317.433 1.921 10 10 DDCE CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2cc(OC)ccc2O)C1 866767198 MCJUMVOCYULTRU-NWDGAFQWSA-N 321.373 1.996 10 10 DDCE O=C1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCN1 897975817 FMNRNTGNFWGOCH-SECBINFHSA-N 320.370 1.711 10 10 DDCE O=C(NCc1cnc(Br)cn1)c1cc(O)cs1 1140612867 AYTOEELCOYCJBJ-UHFFFAOYSA-N 314.164 1.936 10 10 DDCE C[C@]1(CNC(=O)Cc2ccc(O)c(O)c2)CCO[C@@H]1C1CC1 1153798464 YWIJUFQJUJUOEX-IAGOWNOFSA-N 305.374 1.962 10 10 DDCE C[C@H]1CN(S(=O)(=O)Nc2ccc(O)cc2F)C[C@H](C)O1 184619667 AMKDUIJAMCQUDW-IUCAKERBSA-N 304.343 1.297 10 10 DDCE C[C@@H]1CN(c2cc(Cl)c(CN)cc2F)CCS1(=O)=O 2120878915 FKSNYRFJNHVAPW-MRVPVSSYSA-N 306.790 1.561 10 10 DDCE COc1ccc(CNCCN(CCO)C(=O)C=C(C)C)cc1C 1279647977 MWQRWTZFVKQWOQ-UHFFFAOYSA-N 320.433 1.880 10 10 DDCE CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NCc2ccccc2O)C1 1294924425 DLQFESNSOSSMDE-CQSZACIVSA-N 320.389 1.282 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCN1CC[C@H](F)C1 1467840291 NKVDBDSKFAHXBB-LBPRGKRZSA-N 315.385 1.928 10 10 DDCE CNC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1618194605 HAHXCKIBTXGYSP-UHFFFAOYSA-N 300.314 1.639 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C(=O)OCC)CC1 1623573904 IHVWODKDLWVIGT-UHFFFAOYSA-N 312.362 1.837 10 10 DDCE COc1cc(Cl)cc(CN[C@]2(C)CCS(=O)(=O)C2)c1O 229050389 JMKQQAZAXJDULX-CYBMUJFWSA-N 319.810 1.721 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(OCCO)nc1 1636167288 LHTWAJQQTABYQF-DJWKRKHSSA-N 316.313 1.516 10 10 DDCE O=C(N[C@H]1Cc2ccccc2NC1=O)c1c(F)ccc(O)c1O 1641795385 JKORDLYOQHFQGK-NSHDSACASA-N 316.288 1.530 10 10 DDCE O=C(NC[C@H](n1cncn1)C(F)(F)F)c1cccc(O)c1O 1642669071 AMEBXQYTQPDMTD-VIFPVBQESA-N 316.239 1.223 10 10 DDCE CCn1cccc(CNC(=O)c2c(F)ccc(O)c2O)c1=O 1654534130 KGCLEHJRJIMXCO-UHFFFAOYSA-N 306.293 1.349 10 10 DDCE C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCc1cc(O)ccc1O 1651225830 ZTHOPKOTWAEYNN-SNVBAGLBSA-N 308.378 1.655 10 10 DDCE CC(C)[C@H](NC(N)=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 1587404623 HIJQUHAFKGNNHZ-AWEZNQCLSA-N 306.410 1.404 10 10 DDCE CC(C)(C)OC(=O)NC[C@]12CN(CCN=[N+]=[N-])C[C@@H]1CCO2 1962461182 WWHRGQULJRRXOA-FZMZJTMJSA-N 311.386 1.912 10 10 DDCE CC[C@@H]1SC(=S)N(CCC(=O)NCc2ccco2)C1=O 11635840 FGSSQFSRYYEQMX-JTQLQIEISA-N 312.416 1.925 10 10 DDCE C[C@@H](c1cc(F)ccc1O)N(C)C[C@H]1CCS(=O)(=O)C1 2148786382 FQBAIKQJEMFTGL-WDEREUQCSA-N 301.383 1.959 10 10 DDCE CC(C)(C)OC(=O)N1CC(N2CCN(CCCN=[N+]=[N-])CC2)C1 1982247242 FMYISVOGKIYYPS-UHFFFAOYSA-N 324.429 1.924 10 10 DDCE CN1CC[C@H](N(C)c2ccc(CN)cc2Br)C1=O 690235708 YMWHIUKQDUBNFD-LBPRGKRZSA-N 312.211 1.575 10 10 DDCE C[C@@H](O)c1cc(F)c(N(C)CCCS(C)(=O)=O)c(F)c1 2194520438 UZCQWYRGVDCJQV-SECBINFHSA-N 307.362 1.889 10 10 DDCE CN(C)C(=O)CCN(C)c1ccc(CN)c(Br)c1 2068209535 PBHSMTYYMGRCGN-UHFFFAOYSA-N 314.227 1.822 10 10 DDCE CCn1nncc1S(=O)(=O)Nc1ccc(O)cc1Cl 2089191193 WBJLSYBTRRDKLC-UHFFFAOYSA-N 302.743 1.458 10 10 DDCE Cc1cccc(CNS(=O)(=O)c2sc(=N)[nH]c2C)c1O 2204625253 RHYMGLTYUBPYDX-UHFFFAOYSA-N 313.404 1.357 10 10 DDCE Cn1nc(Br)c(C(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])n1 2219808362 FCZBNERUJKZJLP-RITPCOANSA-N 314.147 1.539 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CC[C@@H](C(=O)O)S2)s1 2270676192 UDDBXRQFURFTEZ-YUMQZZPRSA-N 318.445 1.830 10 10 DDCE CN(c1cc(Cl)c(CN)cc1F)[C@@H]1COC2(COC2)C1 2286287659 LYMHWYXRMVGHOU-JTQLQIEISA-N 300.761 1.932 10 10 DDCE COC[C@@H](CO)NCc1ccc(C)c(Br)c1O 2307475240 PCJDYDSBPNCBHD-SNVBAGLBSA-N 304.184 1.560 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H]1CCNC1 174018552 GSUHYWXALCDQAQ-MRXNPFEDSA-N 317.433 1.481 10 10 DDCE CN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)C(O)=NC1=S 33328659 KMCJHANFXNMYMZ-POHAHGRESA-N 320.326 1.247 10 10 DDCE CC(C)N(CCCO)S(=O)(=O)CCOc1ccc(N)cc1 70490729 NXXVTYKXEPXFEC-UHFFFAOYSA-N 316.423 1.070 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCC[C@H](C(N)=O)C2)c1O 37322504 HLIZZAOHLMPJQR-JTQLQIEISA-N 310.781 1.946 10 10 DDCE Cc1ccc(C(=O)NC[C@H](c2cnn(C)c2)N(C)C)c(O)c1O 182466951 HYAOLOYQZAQGJJ-CYBMUJFWSA-N 318.377 1.172 10 10 DDCE CCN(CCCN[C@H](C)c1ccc(O)cc1O)S(C)(=O)=O 38035409 OFOYXYCORXDSDH-LLVKDONJSA-N 316.423 1.420 10 10 DDCE COc1cccc(CNC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1O 131834772 VNAIUJREOZDKOB-JSGCOSHPSA-N 321.421 1.929 10 10 DDCE Nc1ccc(CS(=O)(=O)NCCOc2ccccc2)cc1 42894902 JENCCHDETOVDTA-UHFFFAOYSA-N 306.387 1.767 10 10 DDCE CN(C)C(=O)NCCNCc1cc(Br)ccc1O 234212402 QPJWENOEFBBLJR-UHFFFAOYSA-N 316.199 1.516 10 10 DDCE CN(Cc1cc(Br)ccc1O)C[C@@H]1CNCCO1 234296168 XHOXGKOCNNNCOB-LBPRGKRZSA-N 315.211 1.575 10 10 DDCE COCCOc1cc(OC)ccc1C(=O)OCC(=O)C(C)=O 808539988 NERBQEMGSXJEJR-UHFFFAOYSA-N 310.302 1.035 10 10 DDCE CN(Cc1ccccc1O)C(=O)N=c1cc[nH]cc1N(C)C 801922284 VDOKAKLWYBDDLG-UHFFFAOYSA-N 300.362 1.939 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)C[C@H]3CCNC3)C2)cc1 831748458 CTUGXMREGGCRKG-HUUCEWRRSA-N 317.433 1.637 10 10 DDCE C[C@H]1C[C@@H](C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)CCN1 832267201 OBCNTPGXXAAYMQ-NOLJZWGESA-N 304.438 1.257 10 10 DDCE CC(C)(CNC(=O)NCc1ccccc1O)CS(C)(=O)=O 915524861 KNPNEBWTKBCNQM-UHFFFAOYSA-N 314.407 1.262 10 10 DDCE O=C(NCc1ccc(O)cc1O)C(F)(F)C1CCOCC1 910948361 ZASGHOKRLGZJCT-UHFFFAOYSA-N 301.289 1.776 10 10 DDCE CO[C@@](C)(CO)CNC(=O)c1cc(C)n(-c2ccccn2)c1C 848262763 LCDBEAPCLCDOJD-QGZVFWFLSA-N 317.389 1.616 10 10 DDCE CC(C)N(Cc1cc(O)n2ncc(C(=O)O)c2n1)CC1CC1 846239166 QNIBTXAFNKSNJX-UHFFFAOYSA-N 304.350 1.754 10 10 DDCE COc1cccc(CN2CCC(Cn3cnnc3)CC2)c1O 846057127 SGPCRLIKLFHDBD-UHFFFAOYSA-N 302.378 1.905 10 10 DDCE Nc1ccc(CCNC(=O)N2CCC[C@](O)(C3CC3)C2)cc1 851663272 XPTPUXPUFFGQLX-QGZVFWFLSA-N 303.406 1.758 10 10 DDCE CCS(=O)(CC)=NS(=O)(=O)NCc1c(O)cccc1F 921450584 BAQFBVJJBJVYKW-UHFFFAOYSA-N 324.399 1.374 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@@H]1CC(=O)N(C2CCCC2)C1 928709555 JNQXUWSUICYSAN-LLVKDONJSA-N 320.364 1.939 10 10 DDCE COC(=O)[C@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc(O)c(O)c2)C1 856214231 OKDCXGTVSNDYBT-FVSXHXCTSA-N 305.330 1.521 10 10 DDCE C[C@@H](N)CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 852868466 GCYQRSAQMFRLIH-CYBMUJFWSA-N 305.422 1.391 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)[C@H]2CCNC2=O)c([N+](=O)[O-])c1 758284456 GFEDOCJSKCIOCH-FUEXJSSKSA-N 319.317 1.106 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C1(N2CCOCC2)CC1 865904930 UVKQPHRGIWYBSJ-UHFFFAOYSA-N 317.433 1.542 10 10 DDCE COC(=O)[C@@H](C[C@H]1CCCO1)NCc1ccc(F)c(F)c1O 895867701 YSGZQNYGONAMHS-ZYHUDNBSSA-N 315.316 1.871 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)[C@@H]1CCCOC1 1142203469 OKXJFKVIIAREIV-LOWFTVKWSA-N 307.346 1.015 10 10 DDCE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043218 OEYDOBXSZCUHTG-MRBYEJRBSA-N 310.394 1.507 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2nc(C)c[nH]2)cc1C 1268706971 BKKXVICOJUCKCT-LBPRGKRZSA-N 316.405 1.943 10 10 DDCE COCc1n[nH]c(CNCc2ccc(N3CCCC3)cc2)n1 1350135851 KDHVPCHJKPSEGJ-UHFFFAOYSA-N 301.394 1.841 10 10 DDCE CCNC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1483609088 XUEXMWPMYNVSNR-ZDUSSCGKSA-N 303.366 1.967 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCN=S1(=O)CCCC1 1557279149 PRQNXQRNDMDFKK-UHFFFAOYSA-N 312.391 1.018 10 10 DDCE C[C@@H](O)CN(C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1722926755 OFOWFYSCBHPSMD-GHMZBOCLSA-N 321.381 1.280 10 10 DDCE 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10 DDCE C[C@@H](N)c1ccc(N(CCS(C)(=O)=O)C2CC2)c(F)c1 2170159842 ANZYEDPOZPJKRC-SNVBAGLBSA-N 300.399 1.859 10 10 DDCE OC[C@@H]1COCC[C@H]1NCc1ccc(Br)cc1O 2072981541 RLKLKRUVNKOTKR-ZYHUDNBSSA-N 316.195 1.642 10 10 DDCE O=S(=O)(C(F)F)C1CN(c2c(F)cc(CO)cc2F)C1 2206684616 OIHJLIBYZZSZKD-UHFFFAOYSA-N 313.272 1.283 10 10 DDCE C[C@@H](NCCS(=O)(=O)C(F)(F)F)c1c(O)cccc1O 2232495560 UTFSIGOBKFKNIY-SSDOTTSWSA-N 313.297 1.683 10 10 DDCE Cc1ccc(CN[C@H]2COCC[C@@H]2O)c(O)c1Br 2327630154 HZGMTYBJVIDZKV-QWRGUYRKSA-N 316.195 1.703 10 10 DDCE CN1CCCc2cc(CNC(=O)N3CCNC(=O)CC3)ccc21 105206871 GNLRZTNOQDFQMI-UHFFFAOYSA-N 316.405 1.101 10 10 DDCE COC[C@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 103520657 RARPRNQHZXFPCN-LBPRGKRZSA-N 324.396 1.686 10 10 DDCE C[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCCO1 183160316 VWICVDJDMJXVLY-BBRMVZONSA-N 305.422 1.526 10 10 DDCE N[C@@H](Cc1ccc(O)c(O)c1)c1nc(CC(F)(F)F)no1 48798436 QDOBNMXAXHKYRK-ZETCQYMHSA-N 303.240 1.828 10 10 DDCE COCCCCS(=O)(=O)NCc1ccc(N(C)C)cc1 136101566 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C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H](C)N1CCOCC1 588406775 UWPCPCVAEPCBOA-NMTKSXOJSA-N 320.389 1.336 10 10 DDCE COC(=O)[C@@H]1CNCCCN1C/C=C/c1ccc(N(C)C)cc1 843122669 DIKMDDMTLHFKOT-YXMMZVCTSA-N 317.433 1.603 10 10 DDCE C[C@H](N)[C@@H](C)NC(=O)NCc1cccc(Br)c1O 842002155 FEVCWFVVTNXXSA-JGVFFNPUSA-N 316.199 1.690 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1 846697101 KDDGJFLQRDTTEU-GJZGRUSLSA-N 319.449 1.978 10 10 DDCE CC(=O)C(=O)COC(=O)c1nn(C(C)C)cc1Br 923433197 PUXYIMZWAFRAQE-UHFFFAOYSA-N 317.139 1.541 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)cc1 844303673 ADEZCZUCVCRKMU-CTNYNGJSSA-N 313.401 1.284 10 10 DDCE CO[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 854324117 GXYZBEQSYMPXIS-GDBMZVCRSA-N 306.406 1.763 10 10 DDCE O=C(NCc1noc2c1COCC2)N1Cc2cccc(O)c2C1 927894444 LZUOAUGUPAXTFB-UHFFFAOYSA-N 315.329 1.678 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3nn(C)cc3C)C2)cc1 855226750 TVERYEFIHGRKCX-ZDUSSCGKSA-N 314.389 1.746 10 10 DDCE COc1cccc(CNC(=O)COc2ccc(O)cc2)c1O 769502980 DJURIAGNXGSMQX-UHFFFAOYSA-N 303.314 1.802 10 10 DDCE O=C1O[C@H]2C[C@H]1N(C(=O)c1cc3cc(O)c(O)cc3s1)C2 897884003 QYNFULICRDGQIQ-JGVFFNPUSA-N 305.311 1.452 10 10 DDCE CCOc1ccc(CNC2(C(=O)NC)CCOCC2)c(O)c1 895884567 QQYOKHCUPFJRDV-UHFFFAOYSA-N 308.378 1.176 10 10 DDCE COC(=O)[C@H]1CCCCCN1C(=O)Cc1ccc(O)c(O)c1 1138138105 NJDKLQLGLWTMCG-GFCCVEGCSA-N 307.346 1.585 10 10 DDCE O=C(CNCc1ccc(Br)cc1O)N1CCCC1 691470307 UQVNWRKOOOEKAJ-UHFFFAOYSA-N 313.195 1.867 10 10 DDCE C[C@H](O)c1ccc(N2C[C@H](O)C[C@@H]2CO)cc1Br 698125463 DQDQWOXKESADSJ-JMJZKYOTSA-N 316.195 1.434 10 10 DDCE C[C@@H]1C[C@@H]1CNC(=O)C(=O)NCCCSc1nccs1 1258429108 YZJPCINWBGERRQ-NXEZZACHSA-N 313.448 1.514 10 10 DDCE COc1ccc(N2CCN(C(=O)c3n[nH]c(C)c3O)CC2)cc1 1445746566 UNJFHNVLUKTWOR-UHFFFAOYSA-N 316.361 1.395 10 10 DDCE COc1cc(C[C@H](N)CNC(=O)OC(C)(C)C)cc(O)c1O 1535975059 LUGBEFHQXUJIRB-JTQLQIEISA-N 312.366 1.501 10 10 DDCE CC(=O)C(=O)C1(O)CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 1923344275 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1.891 10 10 DDCE CNC(=O)OC1CN(c2ccc(CN)c(Br)c2)C1 2030281801 APYGFDKCDLNDDS-UHFFFAOYSA-N 314.183 1.452 10 10 DDCE COCCNCc1ccc(N2CCS(=O)CC2)c(F)c1 62737395 XARGIOSTZORIBH-UHFFFAOYSA-N 300.399 1.130 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)C[C@H]3CCCCO3)c2n1 2064568763 DVLKLHULTKZWOR-LLVKDONJSA-N 304.350 1.384 10 10 DDCE Nc1c(CO)nn(Cc2cc(F)ccc2O)c1C(F)(F)F 2079258770 MWIINGPVQUIWLE-UHFFFAOYSA-N 305.231 1.869 10 10 DDCE NCc1ccc(N2CC[C@H]3C(=O)NC[C@@H]3C2)c(Br)c1 2100950655 VIWFAGNNJAUWBJ-GHMZBOCLSA-N 324.222 1.480 10 10 DDCE COCCS(=O)(=O)CCN[C@@H](C)c1ccc(C)cc1O 2204669354 WCEKVHBDEQWIDH-LBPRGKRZSA-N 301.408 1.412 10 10 DDCE CC[C@@H]1NCC[C@@]1(NCc1cnc(SC)s1)C(=O)O 2350347474 HDWZKRTWBCPWSW-CABZTGNLSA-N 301.437 1.550 10 10 DDCE CO[C@@H]1CC[C@@](NCc2cnc(SC)s2)(C(=O)O)C1 2350652835 OOEVIYYKZONZJM-PELKAZGASA-N 302.421 1.977 10 10 DDCE CN1CCN(c2cc(Br)c(CN)cc2F)CC1=O 310651966 YSWPTTAHOOAJAD-UHFFFAOYSA-N 316.174 1.325 10 10 DDCE CN1CCN(Cc2cc([N+](=O)[O-])c3cccnc3c2O)CC1 27531081 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CC1(C)CNC(=O)[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 912644643 MVTXSWYJGDTVDH-LBPRGKRZSA-N 320.370 1.567 10 10 DDCE CC[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@H]1CCCCO1 848604265 XCMXSASZRISWDO-ZIAGYGMSSA-N 305.378 1.671 10 10 DDCE C[C@@H](CN(C)CCCN(C)C)NC(=O)c1cccc(O)c1O 855347255 ZXKWYAMDPXUWFL-LBPRGKRZSA-N 309.410 1.100 10 10 DDCE N[C@@H]1CN(C(=O)NCCCSc2nccs2)CC[C@H]1F 851657719 KNQPFCOLIVGNDO-NXEZZACHSA-N 318.443 1.706 10 10 DDCE CC[S@](C)(=O)=NS(=O)(=O)N[C@@H](C)c1ccccc1O 867836573 YASLMHUDLWIAJJ-YYSFKGJASA-N 306.409 1.405 10 10 DDCE CCO[C@@H]1COCC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 866757084 IXIKPEOJAZOKJJ-XJKSGUPXSA-N 323.389 1.588 10 10 DDCE COc1ccc(N2CC[C@@H](CNc3nc(C)nc(N)n3)C2)cc1 865888424 NTMRGGLMKOSCTI-LBPRGKRZSA-N 314.393 1.709 10 10 DDCE NCCCOCCNC(=O)NCc1ccc(N2CC=CC2)cc1 861589761 GBIKPMSFHYQFOX-UHFFFAOYSA-N 318.421 1.227 10 10 DDCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@]2(C(=O)N5Cc6cccc(O)c6C5)[C@H]1[C@H]3[C@@H]42 871204745 JMVJPTUJQLMJBZ-NONANHNLSA-N 307.349 1.561 10 10 DDCE COCCN(Cc1cc(OC)c(OC)cc1O)[C@@H]1CCOC1 782960570 HELWFDANMLQJQF-CYBMUJFWSA-N 311.378 1.647 10 10 DDCE O=C(COC(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(O)c(O)c1 784152654 OVAVKOPHXITIEV-UHFFFAOYSA-N 318.241 1.441 10 10 DDCE CNC(=O)c1cccc(N(C)C(=O)/C=C(\C)c2cnccn2)c1 1134048561 KDWYKSJGSVMOGM-FMIVXFBMSA-N 310.357 1.903 10 10 DDCE CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1138136794 OXESQLVTUWMDAB-CHWSQXEVSA-N 320.349 1.773 10 10 DDCE CN([C@@H](CO)C(C)(C)C)S(=O)(=O)Cc1ccc(N)cc1 689234124 RHHAMHYLOZUKCI-ZDUSSCGKSA-N 300.424 1.437 10 10 DDCE COC(COCCNC(=O)c1ccc(N=NC(N)=O)cc1)OC 1154475858 MACGTOBSQLQUCQ-UHFFFAOYSA-N 324.337 1.214 10 10 DDCE CN1CCc2cc([C@H](N)c3nc(Br)nn3C)ccc21 2116540889 YNULTDZQKRWFOF-NSHDSACASA-N 322.210 1.618 10 10 DDCE CN(NCc1cc(Br)ccc1O)S(C)(=O)=O 1901374683 GEKGHOLMICAXFN-UHFFFAOYSA-N 309.185 1.051 10 10 DDCE CC(C)[C@H]1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)C1 1331511985 AYZKGKUFGGOGLC-AWEZNQCLSA-N 303.406 1.432 10 10 DDCE [N-]=[N+]=NCC1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 1912148142 PUZIWJUOIQRJJO-NSHDSACASA-N 300.384 1.360 10 10 DDCE C[C@@]1(C(=O)NCc2ccc(O)c(O)c2)COc2ccccc2O1 1294872480 XAXLGCDVWVDYAY-KRWDZBQOSA-N 315.325 1.944 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)nc1 1471661293 MIORDVOOHAVDQI-UHFFFAOYSA-N 302.286 1.209 10 10 DDCE Cn1cc(Cl)c(CNC(=O)/C=C\c2ccc(O)c(O)c2)n1 1627927426 INPYKXYFOFBCON-HYXAFXHYSA-N 307.737 1.814 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@H]1C(F)(F)F 1628412014 JWJOWJNWHQCUSD-NSHDSACASA-N 305.252 1.430 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cc2n(n1)CCCC2=O 1637045854 KRWJJHOJVSWLFH-UHFFFAOYSA-N 301.302 1.201 10 10 DDCE CN(C(=O)Cc1ccc(O)c(O)c1)[C@H](CO)Cc1ccccc1 1641303699 DEDXBMOPNSPTIO-HNNXBMFYSA-N 315.369 1.702 10 10 DDCE CNC(=O)c1ccc(C(=O)NCc2c(O)cccc2F)cn1 1645048205 LEFWHOLOUUHDGP-UHFFFAOYSA-N 303.293 1.216 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@H](C)C(C)C)cc1C 1667899048 KXPJWKQIHIETME-GDBMZVCRSA-N 322.449 1.862 10 10 DDCE O=C1CNC[C@H](c2cc(Cl)cc(Br)c2O)N1 1952155330 KMSXZKNLCBTUDO-MRVPVSSYSA-N 305.559 1.569 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CN(CCN=[N+]=[N-])CCN2C1=O 1982246133 QILYBBHBTDXVGT-WDEREUQCSA-N 324.385 1.107 10 10 DDCE NC(=O)[C@H]1C[C@H](N)CN(Cc2cc(Cl)cc(Cl)c2O)C1 2151020680 FBJRIQQXCLEDEW-WPRPVWTQSA-N 318.204 1.334 10 10 DDCE CS(=O)(=O)C[C@H]1CCCN(Cc2ccc(F)cc2O)C1 294073842 YOWDYEAIZZTIFY-NSHDSACASA-N 301.383 1.788 10 10 DDCE CNCc1ccc(N(C)CCNC(C)=O)cc1Br 308171428 CNZBJUYPNQBRPS-UHFFFAOYSA-N 314.227 1.741 10 10 DDCE Nc1ccc(N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 325099913 RMBTXKZBEWIMLV-UHFFFAOYSA-N 324.428 1.707 10 10 DDCE CC1(CS(C)(=O)=O)CN(c2cc(Cl)c(CN)cc2F)C1 2177387008 GHFVEXAOMYZBCF-UHFFFAOYSA-N 320.817 1.809 10 10 DDCE CN(C)[C@H](C(=O)N1Cc2cccc(O)c2C1)c1cscn1 2062359287 ZSSYLFJZWGAFLJ-AWEZNQCLSA-N 303.387 1.994 10 10 DDCE C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)Cc1ccc(O)c(O)c1 2062779638 KKBIGYWOYAEJAX-OQPBUACISA-N 319.279 1.819 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC3(CC(F)(F)F)CC3)c2n1 2064147571 WJZGNNJMMQNRSS-UHFFFAOYSA-N 314.267 1.958 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3[C@H]4CC[C@H]3CC3(C4)N=N3)c2n1 2064828010 ACGNSTRHFSWFGW-UWVGGRQHSA-N 312.333 1.672 10 10 DDCE CCOC(=O)c1cnn([C@@H](C)c2cc(OC)ccc2O)c1N 2070317517 AQPWBUCKRBGCLV-VIFPVBQESA-N 305.334 1.966 10 10 DDCE COc1ccc(O)c([C@H](C)n2ncc(C(=O)N(C)C)c2O)c1 2070582283 BNHIHKAYBUPUDN-VIFPVBQESA-N 305.334 1.614 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC2(CCF)CC2)cc1 2195091882 YTNDFKMKNYUANC-UHFFFAOYSA-N 302.371 1.459 10 10 DDCE Nc1ccc(OCCC(=O)N[C@H]2CCCCC23OCCO3)cc1 2191652259 PGDSNQJNQUEJBO-HNNXBMFYSA-N 320.389 1.840 10 10 DDCE Oc1ccc(CN=c2[nH]nc(Br)s2)c(O)c1 2210581435 FQNYRBHUWYSHRH-UHFFFAOYSA-N 302.153 1.746 10 10 DDCE CS(=O)(=O)c1ccc(Sc2ncc(C(=N)N)s2)cc1 2278749435 KZWZCPOZCZKGJX-UHFFFAOYSA-N 313.429 1.982 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@H]2CC[C@@H](CO)C2)s1 2269092791 KSWFXXMMGQZMCE-SCZZXKLOSA-N 322.477 1.445 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\c1cnccn1 491924870 JGPJLXVYRNFATH-UTCJRWHESA-N 310.357 1.981 10 10 DDCE CCN1CCN(C(=O)C=Cc2ccc(O)c(O)c2)C(C)(C)C1=O 2310363099 VEDHYRMBCSEUJV-UHFFFAOYSA-N 318.373 1.580 10 10 DDCE CONCC(=O)NCc1ccc(C)c(Br)c1O 2307452343 KWXVTLPNYYAQKR-UHFFFAOYSA-N 303.156 1.230 10 10 DDCE CN1C(C)(C)[C@](Sc2nccs2)(C(=O)O)CS1(=O)=O 2351873823 CIOXCSCMDSSTPF-SNVBAGLBSA-N 322.433 1.112 10 10 DDCE CSc1cc(N(C)[C@H](C)CS(C)(=O)=O)ccc1CN 2353849800 AYLULVVUEVBBFI-SNVBAGLBSA-N 302.465 1.737 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)N1C(=O)c2ccccc2C1=O 20327233 XDAKVHSVEORUBX-SNVBAGLBSA-N 309.325 1.892 10 10 DDCE Cc1cc(N2CCN(Cc3cc([N+](=O)[O-])ccc3O)CC2)n[nH]1 187178458 NSDCYWFKVXWJLD-UHFFFAOYSA-N 317.349 1.654 10 10 DDCE CCS(=O)(=O)N(C)Nc1nc(CC(C)C)c(C(=O)O)s1 2365340201 VVPQQMXIUKJYHW-UHFFFAOYSA-N 321.424 1.648 10 10 DDCE COC[C@H](O)CCN[C@@H](C)c1ccc(N2CCC(O)CC2)cc1 90949426 HDNLYVPZOQSWPN-KBXCAEBGSA-N 322.449 1.696 10 10 DDCE Cc1ccc(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)c(O)c1O 804543166 QRARQVMBSUFISP-VIFPVBQESA-N 313.375 1.102 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1ccc(-n2nc(C)cc2C)cc1 808504371 DBNPXTUHMGGZIX-UHFFFAOYSA-N 314.341 1.733 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C 808532342 TUWZDPZPUPTASI-MRVPVSSYSA-N 323.292 1.236 10 10 DDCE CCOc1cccc(CN[C@H](C)CCS(C)(=O)=O)c1O 134592149 JRHCYWOCUDQFAU-LLVKDONJSA-N 301.408 1.704 10 10 DDCE O[C@H](CNCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 819358807 QSUDJQPLZCTQFW-OAHLLOKOSA-N 312.360 1.662 10 10 DDCE COc1ccc(N2CCCN(C(=O)[C@@H](O)C3CCC3)CC2)cc1 825373672 PHQZUPGRYBKPHE-KRWDZBQOSA-N 318.417 1.895 10 10 DDCE C/C=C\[C@H](O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 900387106 QPBFUUUFQUTAMB-HRQKUVISSA-N 304.390 1.637 10 10 DDCE CCO[C@H]1C[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 916093619 ALMACPLNKZALAJ-HOTGVXAUSA-N 304.390 1.769 10 10 DDCE CCN(CC)c1ccc(CNC(=O)C2=NO[C@H](CN)C2)cc1 852860134 KXSINWDCDYENIE-AWEZNQCLSA-N 304.394 1.253 10 10 DDCE C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1[C@H]2CN[C@H]1C2 925481609 RBLUUDQNUYOGFY-CAGXHZNZSA-N 319.424 1.748 10 10 DDCE COC(=O)c1cc(OCC(=O)N2CCCCC2)ccc1N(C)C 865396662 YIAFEWHUJLFTDH-UHFFFAOYSA-N 320.389 1.931 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCc2cc(C(N)=O)co2)c1 779069386 RJJLQKIGNLDPRZ-VIFPVBQESA-N 318.329 1.722 10 10 DDCE CN(C)c1ccc([C@@H](N)[C@H](O)CNC(=O)OC(C)(C)C)cc1 1959562354 LDSWKLUXINCUAK-ZIAGYGMSSA-N 309.410 1.638 10 10 DDCE C[C@@H](NCCCN(C)S(C)(=O)=O)c1cc(O)ccc1O 692481256 WSOCPOOQLMMQNL-SNVBAGLBSA-N 302.396 1.030 10 10 DDCE COc1cccc(CN(C)CC(C)(C)S(C)(=O)=O)c1O 93772680 QDEHFYVQZSNRFG-UHFFFAOYSA-N 301.408 1.656 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)c1ccnc2[nH]nnc12 1300396243 NHKHIUCFWUFNKS-UHFFFAOYSA-N 303.709 1.642 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)c1nccn2nnnc12 1162062504 PBYGOWLJWHJNDP-UHFFFAOYSA-N 309.377 1.756 10 10 DDCE CCOc1ccc(N2CCN(C[C@@H](COC)OC)CC2)cc1 1347105368 WITOVPGFYPTFKS-KRWDZBQOSA-N 308.422 1.869 10 10 DDCE CC(=O)C1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1261902039 KRWQSAOXKHYAIA-UHFFFAOYSA-N 316.357 1.062 10 10 DDCE C[C@@H](C(=O)OC(C)(C)C)S(=O)(=O)N(C)CCCN=[N+]=[N-] 1912211680 ZJDKTQMHCUGMKR-VIFPVBQESA-N 306.388 1.679 10 10 DDCE CN(C)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1441844741 SWMDPUJATWKVBQ-ZDUSSCGKSA-N 303.366 1.919 10 10 DDCE CCO[C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1OC 1467342542 INKZNDRVXUVJKV-YNEHKIRRSA-N 320.349 1.771 10 10 DDCE C[C@H]1CCCN([C@H](C)CNC(=O)Cc2ccc(O)c(O)c2)C1 1629994064 NRYSSDBUBMYUPU-QWHCGFSZSA-N 306.406 1.877 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2cccnn2)cc1C 1567579030 FFZPBSHXRWCFKO-UHFFFAOYSA-N 314.389 1.655 10 10 DDCE Cc1sc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nc1O 1638348240 PKLLVNGBUUNEMO-SSDOTTSWSA-N 308.359 1.929 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)C2CC(C)C2)cc1C 1699045689 OFONRWCNASNNEB-MOQPWLNLSA-N 320.433 1.616 10 10 DDCE O=C(O)c1ccc(/C=C2\SC(=S)N(CCO)C2=O)cc1 16904874 PJLIQSCUVXKDCP-YFHOEESVSA-N 309.368 1.578 10 10 DDCE CN(C)c1ccc([N+](=O)[O-])cc1C=C1C(=O)OC(C)(C)OC1=O 17085750 VDQZEQBPGDFGSV-UHFFFAOYSA-N 320.301 1.880 10 10 DDCE O=C1OCCN1CCNCc1c(O)cccc1Br 1963614135 XXDPTQVKMRIGJO-UHFFFAOYSA-N 315.167 1.697 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1COCCN(Cc2ccc(N)cc2)C1 1977925507 KUDBPLTZTLAGNA-OAHLLOKOSA-N 321.421 1.994 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccc(N)cc1 1985187523 AOPWSZSODVYJCA-LSDHHAIUSA-N 321.421 1.729 10 10 DDCE OC[C@]1(NCc2cc(Br)ccc2O)C[C@@H](O)C1 2020590902 AARANABQCHVKPB-KLPPZKSPSA-N 302.168 1.130 10 10 DDCE OCc1ccc(N2C[C@@H]3OCCO[C@@H]3C2)c(Br)c1 2032415662 HSRQWTRCQDQBEI-BETUJISGSA-N 314.179 1.545 10 10 DDCE COc1cc(Cl)cc(CN2C[C@H](OC)[C@@H](OC)C2)c1O 300180258 QNHCXPXMCUEDSV-STQMWFEESA-N 301.770 1.900 10 10 DDCE CN1C[C@H](CNCc2c(O)cccc2Br)CC1=O 723581437 KPNVMKFPGLNOHC-VIFPVBQESA-N 313.195 1.723 10 10 DDCE CO[C@@H]1C[C@@H](O)CN(c2ccc(CO)cc2Br)C1 2046677269 XYONTLDPYUUPMF-GHMZBOCLSA-N 316.195 1.527 10 10 DDCE CN(CCn1cncn1)c1ccc(CO)c(Br)c1 2050699762 ZQUVVZMLZANJKX-UHFFFAOYSA-N 311.183 1.669 10 10 DDCE CC1(C)[C@@H](O)[C@H](O)CN1c1ccc(CN)c(Br)c1 2060875689 QRNCGWPAUWWGPK-NEPJUHHUSA-N 315.211 1.228 10 10 DDCE CN(c1ccc(CN)c(Br)c1)[C@@H]1CCC(=O)NC1 2063569879 SFHBZZGBPBJPFI-LLVKDONJSA-N 312.211 1.623 10 10 DDCE COc1ccc(Br)c(CN[C@@H]2COC[C@@H]2O)c1O 2220463235 YEZVCSRNNLCYTD-ZJUUUORDSA-N 318.167 1.013 10 10 DDCE COC(=O)N[C@H](C)CNCc1cc(Br)ccc1O 2261503238 ICENPRFJFKAVHD-MRVPVSSYSA-N 317.183 1.989 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@@H](C(=O)O)O2)s1 2269093406 CHSHHKYEDGEMLP-ZETCQYMHSA-N 303.365 1.165 10 10 DDCE O=C(/C=C\c1cnccn1)N1Cc2cnnn2Cc2ccccc21 492032920 PVJFJAHLCMMBBV-WAYWQWQTSA-N 318.340 1.676 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ccc(C)cn2)c1 493694168 VNUDKEZNQKYWIM-FNORWQNLSA-N 310.357 1.821 10 10 DDCE CCN1C(=O)/C(=C2/SC(=S)N(N)C2=O)c2ccccc21 2874397 BXSVHWCNPZLUOU-MDZDMXLPSA-N 305.384 1.498 10 10 DDCE NCc1ccc(N2CCC(C(N)=O)CC2)cc1Br 228147047 VJEHNRALDXHTKG-UHFFFAOYSA-N 312.211 1.610 10 10 DDCE CC(C)(C)OC(=O)N[C@H](C(=O)O)C1(c2cc(O)nc(O)c2)CC1 1952886945 APQWEUWNCXRTKW-LLVKDONJSA-N 324.333 1.502 10 10 DDCE CNC(=O)Cc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1 30835058 UDBZIQHAFWTEIG-UHFFFAOYSA-N 318.329 1.107 10 10 DDCE COCCc1cc(NC(=O)N(C)Cc2ccccc2O)n(C)n1 127822881 VOMZVPWTQGXPTJ-UHFFFAOYSA-N 318.377 1.979 10 10 DDCE COc1ccc(N2CCN(CN3CCOC3=S)CC2)cc1 74391693 OCUZDWHFKCFNAD-UHFFFAOYSA-N 307.419 1.392 10 10 DDCE Oc1c(Br)cccc1CNCCN1CCOCC1 42411700 RJCIPOCIWZLGEQ-UHFFFAOYSA-N 315.211 1.577 10 10 DDCE O=C(C[C@H](O)c1ccccc1)NCCc1ccc(O)c(O)c1 89329031 VTHXWLCQMLDQKX-HNNXBMFYSA-N 301.342 1.880 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCCC(=O)N2)c1 194367471 AZNBRCPGFFUFPI-ZWNOBZJWSA-N 306.362 1.637 10 10 DDCE O=C(O)[C@@H]1CS[C@@H](c2cc(Cl)c([N+](=O)[O-])cc2O)N1 83236625 OQOZHQIOCLMMKU-RCOVLWMOSA-N 304.711 1.742 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 808495345 YCWMFVYCGWWTJI-UHFFFAOYSA-N 318.734 1.058 10 10 DDCE C[C@H](OCC(=O)NCc1ccc(O)c(O)c1)c1nccn1C 813489066 NAIIBGHELRHDHE-JTQLQIEISA-N 305.334 1.225 10 10 DDCE CCc1nc2ccc(Cl)cn2c1C(=O)OCC(=O)C(C)=O 812647485 ZZVHZCBCGLTTAI-UHFFFAOYSA-N 308.721 1.865 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H](O)C1CCC1 824119144 CSIFXDYYDNJHLA-QGZVFWFLSA-N 318.417 1.643 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CNC[C@H]2CCCCN2CCO)c1 824583713 PCJQEZVKNWPFLY-CQSZACIVSA-N 309.366 1.237 10 10 DDCE CC[C@@](NC(=O)/C=C\c1ccc(O)c(O)c1)(C(N)=O)C(C)C 588420931 AWXRSRLEZYTJIF-IOBAAEILSA-N 306.362 1.517 10 10 DDCE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(O)cs2)C1 844154272 XIYGJXXCAHVBGY-NSHDSACASA-N 322.308 1.594 10 10 DDCE CO[C@H](COC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCOC1 849744604 CVXXKNMECVVZOA-BYSCNOHMSA-N 308.330 1.706 10 10 DDCE CCn1ncc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)n1 844856252 HOMRXFLATLEPCT-UHFFFAOYSA-N 317.393 1.515 10 10 DDCE COC[C@H](C)OC[C@H](O)CN1CCCc2cc(CN)ccc21 923285876 GZLVHFSEWWFPPZ-XJKSGUPXSA-N 308.422 1.310 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CCNC(C)C)C2)cc1 852844127 QSMQSGKNMGAWML-AWEZNQCLSA-N 305.422 1.778 10 10 DDCE COC(=O)CC(C)(C)CNC(=O)NCc1ccc(OC)cc1O 925002433 ISUPAWZEROHOTB-UHFFFAOYSA-N 324.377 1.789 10 10 DDCE CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N[C@@H](C)c1ccccc1O 868463229 IUQUVSNVNXZXDX-DRZSPHRISA-N 305.378 1.667 10 10 DDCE CN(C)c1ccc(CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1F 761185850 XZRCMBVKBAHCGH-OAHLLOKOSA-N 323.393 1.819 10 10 DDCE COC(=O)[C@@]12C[C@@H](NC(=O)/C=C/c3ccc(O)c(O)c3)C[C@@H]1C2 871556777 QTIDGKMIEUZLSV-LGTAQOKFSA-N 317.341 1.569 10 10 DDCE CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1cc(O)cs1 776287083 GENKXUOMTVSESY-MWLCHTKSSA-N 313.375 1.636 10 10 DDCE C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(N=NC(N)=O)cc1 1136290714 XAYPGNQVCVRDSF-ONGXEEELSA-N 317.349 1.575 10 10 DDCE CCO[C@@H]1COCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1138136796 OXESQLVTUWMDAB-QWHCGFSZSA-N 320.349 1.773 10 10 DDCE CC[C@H](CNCc1ccc(N2CCN(C)CC2)cc1)C(=O)OC 895123107 PNWPUWUBSWLHQU-MRXNPFEDSA-N 319.449 1.727 10 10 DDCE Oc1cc2c(cc1CN1CCOC[C@H]1CC(F)F)[C@@H](O)CO2 795729554 OREIESCTHSZACH-MFKMUULPSA-N 315.316 1.674 10 10 DDCE Cn1ccnc1CCNC(=O)c1ccc(N=NC(N)=O)cc1 1303466320 DLYFMJRIIDVIPH-UHFFFAOYSA-N 300.322 1.555 10 10 DDCE Cn1cc(-c2n[nH]cc2C(=O)N2CCc3nc(F)ccc32)cn1 1301564444 VISPBQNVDNYRRT-UHFFFAOYSA-N 312.308 1.547 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(c2ccc(N)cc2)C1 1960834695 PXYQWTIORQWYRS-OCCSQVGLSA-N 307.394 1.733 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCO[C@]2(CCSC2)C1 1445857806 ZSRWRQMFIVPOSR-BLLLJJGKSA-N 323.414 1.811 10 10 DDCE C[C@@](O)(CNC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F 1466151920 WURMNMMPNFWDIR-LLVKDONJSA-N 318.255 1.892 10 10 DDCE O=C(Cn1nnnc1-c1ccccc1)NCc1ccccc1O 1622773198 ZTXUBZMBCPPMTC-UHFFFAOYSA-N 309.329 1.362 10 10 DDCE Cn1cc(-c2cncc(C(=O)NCc3cc(O)ccc3O)c2)cn1 1643882307 SPYDZLGKOHMKAQ-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)Nc1nc(N)nc(Cl)c1N 1651733832 MMDMZRGQVWTLMZ-ZCFIWIBFSA-N 309.757 1.749 10 10 DDCE CN(C)c1ccc(CNC(=O)C[C@@H]2CCC(=O)NC2)cc1F 1598028715 NSOZGPLHZWSGHL-LBPRGKRZSA-N 307.369 1.424 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)c(Cl)c1 2145071942 IKBQMUTWXAMDAF-OLUVUFQESA-N 314.838 1.983 10 10 DDCE O=C1CCc2cc(N3CCC4(C3)OCCO4)c([N+](=O)[O-])cc2N1 2145831425 QIKNOTXWDHOUDZ-UHFFFAOYSA-N 319.317 1.433 10 10 DDCE Cc1ccc(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(O)c1 1994458712 XMSPNTKLDWBLBB-ZFWWWQNUSA-N 322.405 1.770 10 10 DDCE NC[C@H]1C[C@@H](O)CN1Cc1cc(Br)ccc1O 2010534576 LWCNDWLPSLBROG-GHMZBOCLSA-N 301.184 1.049 10 10 DDCE Oc1ccc(CCN=c2ccnc(Br)[nH]2)cc1O 2039530762 KVFZLYGGHOTGFI-UHFFFAOYSA-N 310.151 1.727 10 10 DDCE CCCN(CC(N)=O)c1ccc(CNC)c(Br)c1 311144539 ZEVUPKFVMUIANJ-UHFFFAOYSA-N 314.227 1.870 10 10 DDCE O=[N+]([O-])c1cc2c(cc1N1CCCC3(C1)OCCO3)OCCO2 322594105 KOWNLNJSGUIDKJ-UHFFFAOYSA-N 322.317 1.709 10 10 DDCE C[C@@]1(CO)C[C@@H](O)CN1c1ccc(CN)cc1Br 698199928 QUSJXYDGEYBNAM-MFKMUULPSA-N 315.211 1.230 10 10 DDCE CC(=O)NC1CN(c2ccc([C@@H](C)N)c(Br)c2)C1 723178364 ZFFLQLQSESZGIZ-MRVPVSSYSA-N 312.211 1.794 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2[C@H]3CS(=O)(=O)C[C@H]32)c1O 2174637351 XACFSDLKGRQNJY-PEGIJTEDSA-N 317.794 1.187 10 10 DDCE O=C1C[C@H](NCc2cc(Br)cc(F)c2O)CCN1 2066258601 AJTWHULGJDPVSZ-SECBINFHSA-N 317.158 1.662 10 10 DDCE OCc1ccc(N2CC[C@H](O)C[C@H]2CO)c(Br)c1 2080493596 IBDTZXLTUDZAAA-QWRGUYRKSA-N 316.195 1.263 10 10 DDCE NCc1ccc(N2C[C@H]3C(C(N)=O)[C@@H]3C2)c(Br)c1 2081448357 LGAATKOUXIUDFA-RKDXNWHRSA-N 310.195 1.075 10 10 DDCE CSc1ncc(CNC(=O)[C@@H](N)C2CC(F)(F)C2)s1 2269096953 ZEPHWQGRTHXJPW-QMMMGPOBSA-N 307.391 1.854 10 10 DDCE CCN1CCN(N=Nc2ccc3c(c2)OCC(=O)N3C)CC1 2330245887 JNBUGMNUFLHAQV-UHFFFAOYSA-N 303.366 1.678 10 10 DDCE COc1ccc(CN2CCN(c3ccnc(C)n3)CC2)c(O)c1 184769461 MXSCAYVJYCBTSU-UHFFFAOYSA-N 314.389 1.821 10 10 DDCE CNC(=O)NC[C@H]1CN(Cc2c(O)cccc2Cl)CCO1 529644186 VEIWZAXAXJHVLT-JTQLQIEISA-N 313.785 1.175 10 10 DDCE CS(=O)(=O)[C@H]1CCCN(c2c(F)cc(CN)cc2F)C1 380491189 WHGPYQMCEZPLOH-JTQLQIEISA-N 304.362 1.437 10 10 DDCE Cc1cc(C(=O)NCc2cnn(C)n2)c(C)n1-c1ccccn1 805209391 MOSWUUXNLNVGRR-UHFFFAOYSA-N 310.361 1.548 10 10 DDCE CCN1CC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1=O 801799488 DNTXEVFKJZSBMI-HNNXBMFYSA-N 318.421 1.515 10 10 DDCE CS(=O)(=O)[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1 294795417 VMGFQHXPPNPYHJ-VIFPVBQESA-N 307.774 1.804 10 10 DDCE CCOc1cccc(CN2CCO[C@@H](C(=O)C3CC3)C2)c1O 811502393 SBXASISGDFOADW-OAHLLOKOSA-N 305.374 1.971 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(C)C(=O)N2)cc1 822607664 LLNFVVGMTCKHNL-AWEZNQCLSA-N 304.394 1.173 10 10 DDCE C[C@@H]1CN2CCC[C@@H]2CN1C(=O)/C=C\c1ccc(O)c(O)c1 588404588 JVSGFQVUVWFVKY-OJWNKBRNSA-N 302.374 1.806 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)C[C@@H](O)CN1C 900733597 YJLWPIYWPZUOJN-WBVHZDCISA-N 305.422 1.132 10 10 DDCE CC(C)N1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1=O 588407937 ARNHUAWUNJEMAQ-RNZFLTOJSA-N 304.346 1.237 10 10 DDCE COc1cccc(O)c1CNC[C@@H](C)N1C[C@H](C)O[C@H](C)C1 848562319 HRFMOHFMNMHCEA-MCIONIFRSA-N 308.422 1.988 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CN(C2CC2)C(=O)O1 848363528 HDWMQOPRFPJWSI-DBGMKRSLSA-N 318.329 1.210 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)C(=O)N2CC[C@@H]2C)cc1 1336543369 BXXUVVUPMOSQTP-ZDUSSCGKSA-N 319.405 1.211 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@H](O)c2ccnn2C)cc1 922971469 ZBKBXBYJWKALNQ-BDUNBXCCSA-N 300.406 1.823 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCN3CC[C@H]2C3)c([N+](=O)[O-])c1 858557703 WRHUQYBVVPXPBO-DXTPNHAXSA-N 317.345 1.675 10 10 DDCE COc1ccc(N(C)CCN(C)C[C@@H]2CC3(CNC3)CO2)cc1 923388713 UARCPWRGYLCZLE-KRWDZBQOSA-N 319.449 1.442 10 10 DDCE COCCN1CC[C@H](N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 850347881 ZQUXRCFPNMEADH-HOTGVXAUSA-N 319.449 1.584 10 10 DDCE CC(C)(C)n1nnc(C(=O)NCc2cc(Cl)ccc2O)n1 855022969 NTKNPKAYMDVDRA-UHFFFAOYSA-N 309.757 1.717 10 10 DDCE CN(C)C(=O)C1(C(=O)NCc2ccc3cccnc3c2O)CC1 862026594 UMVXPYGRSDTUHL-UHFFFAOYSA-N 313.357 1.425 10 10 DDCE CCOc1ccc(CN(C)C[C@@H]2CCS(=O)(=O)C2)c(O)c1 769469247 UYSNNHZTLQWWHC-LBPRGKRZSA-N 313.419 1.657 10 10 DDCE COc1cc(O)c(CN2CCN3C(=O)OCC[C@H]3C2)cc1OC 768466296 XVOGKRHPFZXUGY-LBPRGKRZSA-N 322.361 1.436 10 10 DDCE CN(C)c1noc(CCC(=O)N2Cc3cccc(O)c3C2)n1 871205320 YUECWZGBLRWKNB-UHFFFAOYSA-N 302.334 1.316 10 10 DDCE COC(=O)[C@@]12C[C@@H](NC(=O)c3c(F)ccc(O)c3O)C[C@@H]1C2 881435951 UAYLCIWDJUBOKE-KUTMEBCESA-N 309.293 1.308 10 10 DDCE CCN(CC(N)=O)Cc1c(C(=O)OC)n(C)c2ccc(F)cc12 894540364 GPNQJSTYLXZUJM-UHFFFAOYSA-N 321.352 1.411 10 10 DDCE O=C(NCCN1CC[C@@H](O)C1)c1cc2cc(O)c(O)cc2s1 899145112 DRLBUANHHFFEFP-SNVBAGLBSA-N 322.386 1.109 10 10 DDCE NC(=O)Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1135972653 GZYVHDHCXWKAKO-UHFFFAOYSA-N 300.314 1.307 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@H]2COC[C@H]2O)cc1Br 709329672 ILROTSOYHSEFRL-AQUOVQTQSA-N 315.211 1.665 10 10 DDCE Oc1c(F)cc(Br)cc1CN1C[C@@H]2CNC[C@@H]2C1 715765264 FCNFCSBFNARNHK-AOOOYVTPSA-N 315.186 1.945 10 10 DDCE O=C(NCc1c(O)ccc2ccccc12)C1CS(=O)(=O)C1 1157050430 GTGWVYXGSYCDIX-UHFFFAOYSA-N 305.355 1.206 10 10 DDCE COC(=O)COCC(=O)NCc1c(O)ccc2ccccc12 1179032208 AIQMGZFFLZJHJU-UHFFFAOYSA-N 303.314 1.351 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2nn[nH]c2n1 1466790507 HOHNARCXVHDLHV-MRVPVSSYSA-N 313.317 1.125 10 10 DDCE O=C(CCN1C(=O)CSC1=S)Nc1cccnc1Cl 1865768697 OYENPVHASATWEK-UHFFFAOYSA-N 315.807 1.924 10 10 DDCE C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)o1)c1ccccc1O 1471195890 PZSJKYFVDRZFJD-SECBINFHSA-N 309.343 1.880 10 10 DDCE Cn1cnc(C(=O)NCc2c(O)ccc3ccccc23)cc1=O 1472084617 AXDMTHPEDMXYEK-UHFFFAOYSA-N 309.325 1.569 10 10 DDCE COc1ccc(CNC2(CNC(=O)[C@@H](C)OC)CC2)cc1C 1483720591 ZGKQNLVCTWKSCP-CYBMUJFWSA-N 306.406 1.777 10 10 DDCE Cc1ccc(C(=O)N2CCN(Cc3cn[nH]c3)CC2)c(O)c1O 1557095142 ZPLPGWMQPXFWCS-UHFFFAOYSA-N 316.361 1.087 10 10 DDCE COC(=O)c1ccc(CC(=O)NCc2cc(O)ccc2O)cc1 1558175138 FDEADRJMPPNGMV-UHFFFAOYSA-N 315.325 1.743 10 10 DDCE COc1cccc(C[C@@H](O)C(=O)NCc2cccc(O)c2O)c1 1637046546 RZLQUQOGBLOJJW-OAHLLOKOSA-N 317.341 1.326 10 10 DDCE CC(C)(C)OC(=O)N1CC(N2CCN(CCN=[N+]=[N-])CC2)C1 1962303714 IVSNUDNOUKYJBQ-UHFFFAOYSA-N 310.402 1.534 10 10 DDCE CC[C@@H]1SC(=S)N(CCC(=O)NC[C@H]2CCCO2)C1=O 11635844 LYJLSBASJHYCJM-ZJUUUORDSA-N 316.448 1.311 10 10 DDCE COCCNCc1ccc(N2CCS(=O)CC2)cc1Cl 234687331 CKPPBQMNUQJWHE-UHFFFAOYSA-N 316.854 1.645 10 10 DDCE CCOC(=O)[C@@H]1CCCCN1C(=O)c1cc(O)c(O)c(O)c1 1148584111 OJOJNRILEJJRSM-JTQLQIEISA-N 309.318 1.361 10 10 DDCE [N-]=[N+]=N[C@@H]1CCN(C(=O)CNC(=O)OCc2ccccc2)C1 1880824312 GEKPDYZQTQFMDE-GFCCVEGCSA-N 303.322 1.824 10 10 DDCE CO[C@@H](CCO)CNCc1cc(Br)ccc1O 1972495191 OFBLAHKQHVIFKJ-NSHDSACASA-N 304.184 1.642 10 10 DDCE CS(=O)(=O)C[C@H]1C[C@H](NCc2cc(F)cc(F)c2O)C1 1974471501 SUGAQWXHPICIBC-JLIMDTESSA-N 305.346 1.583 10 10 DDCE C[C@@H](N)c1ccc(N(C)CCN(C)S(C)(=O)=O)cc1Cl 2146926113 LEDQPNSQCDELBK-SNVBAGLBSA-N 319.858 1.687 10 10 DDCE CC1(C)C[C@@H](S(C)(=O)=O)CN1Cc1c(O)cccc1F 2179903042 USYGEWAREDQXFI-SNVBAGLBSA-N 301.383 1.929 10 10 DDCE C[C@@]1(CO)C[C@@H](O)CN1c1ccc(CO)c(Br)c1 698152609 QVHWRXHXSPDHSJ-YPMHNXCESA-N 316.195 1.263 10 10 DDCE CCOC(=O)[C@](C)(NCCCN=[N+]=[N-])[C@H](C)S(C)(=O)=O 2170651121 SFQQUPSQCKWBSQ-GXSJLCMTSA-N 306.388 1.031 10 10 DDCE COc1ccc(N(C)C[C@H](O)CN)c(OC)c1Br 2044356180 LMFWZJNQZCMRHX-MRVPVSSYSA-N 319.199 1.222 10 10 DDCE CO[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@H]1N 2058770051 ZWTUQKPFTWMYPO-QWRGUYRKSA-N 319.174 1.452 10 10 DDCE NCc1ccc(N2CC[C@]3(CNC(=O)C3)C2)cc1Br 2107033265 VWQKOKCFBKDOPA-AWEZNQCLSA-N 324.222 1.624 10 10 DDCE CCN(c1ccc(CN)c(OC)c1)[C@H](C)CS(C)(=O)=O 2204556658 GGUFKAKWVYVYJR-LLVKDONJSA-N 300.424 1.413 10 10 DDCE COc1ccc(Br)c(CN(C)C[C@@H](C)N)c1O 2214867151 MVBKBQCHAZEVHC-MRVPVSSYSA-N 303.200 1.942 10 10 DDCE O=C1N=C(N2CCOCC2)SC1=Cc1ccccc1[N+](=O)[O-] 2297297341 PGLKOSJCWIYZKY-UHFFFAOYSA-N 319.342 1.897 10 10 DDCE COc1ccc(C=C2SC(N3CCN(C)CC3)=NC2=O)cc1 2297325722 RLENGPISDPPDMP-UHFFFAOYSA-N 317.414 1.913 10 10 DDCE O=C(/C=C/c1cnccn1)N1Cc2cnnn2Cc2ccccc21 492032919 PVJFJAHLCMMBBV-AATRIKPKSA-N 318.340 1.676 10 10 DDCE Cc1ccc(CNC(=O)[C@H](N)[C@H](C)F)c(O)c1Br 2327597189 TUAYRIGIXYWQSZ-OIBJUYFYSA-N 319.174 1.765 10 10 DDCE Cc1ccc(Cn2cc(CCO)nn2)c(O)c1Br 2327614181 ATNLNOMBSFHTJH-UHFFFAOYSA-N 312.167 1.638 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCOC[C@H]2C)s1 2345461591 QQRPNZOEVVYESW-PRHODGIISA-N 302.421 1.834 10 10 DDCE Cc1ccsc1C(=O)N(CC(N)=O)Cc1ccc(N)cc1 35366548 ANBNBMNENYZGEP-UHFFFAOYSA-N 303.387 1.766 10 10 DDCE CN(Cc1c(O)cccc1F)[C@@H]1CC[C@@H](S(C)(=O)=O)C1 2361664025 DADIASPTCAHHGF-GHMZBOCLSA-N 301.383 1.929 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)CC(F)(F)F 2360199660 AKNJVFQVFPIZRC-SSDOTTSWSA-N 310.297 1.573 10 10 DDCE O=C(N1CCOCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 194232473 OJUFYYWLZYKGKP-HNNXBMFYSA-N 320.389 1.825 10 10 DDCE COc1cccc(CS(=O)(=O)NCCc2ccc(N)cc2)c1 193338127 HMOSWEABOQTVJA-UHFFFAOYSA-N 320.414 1.940 10 10 DDCE Oc1c(I)cccc1[C@@H]1COCCN1 95783707 CJKSWQMAJCEOBM-VIFPVBQESA-N 305.115 1.658 10 10 DDCE O=S(=O)(C1CC1)N1CCCN(Cc2ccccc2O)CC1 370159295 HWNBFVNKBXOMQM-UHFFFAOYSA-N 310.419 1.392 10 10 DDCE COc1ccc(N(C)[C@H](CN)C(C)(C)S(C)(=O)=O)cc1 2166712828 MUDOBYFGVIXQPT-CYBMUJFWSA-N 300.424 1.282 10 10 DDCE O=C1N[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CO1 813685559 KSXMYUSYTCGCAP-MRVPVSSYSA-N 305.117 1.424 10 10 DDCE COc1ccc(O)c(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1 825201112 IUZFLJUJYBVZGC-DZGCQCFKSA-N 311.403 1.552 10 10 DDCE COC(=O)[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCO1 835028354 QIZLPADYSYKVIN-DWTRPJMMSA-N 304.390 1.640 10 10 DDCE Cn1nccc1[C@H]1COCCN1Cc1cc2c(cc1O)OCO2 844758587 UAJUJWZRLUJSPQ-CYBMUJFWSA-N 317.345 1.428 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@@H](CN)C(F)(F)F 848598395 KJGMMMBGXUNPFS-HQJQHLMTSA-N 321.299 1.218 10 10 DDCE Nc1ccc(CCNC(=O)N2CC(C3CCOCC3)C2)cc1 841959796 RHCBSJKQLNJFMA-UHFFFAOYSA-N 303.406 1.879 10 10 DDCE Cc1ccc(C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)c(O)c1O 848363012 ABDFBGQYQOVTFN-JTQLQIEISA-N 306.318 1.119 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@@H](C)N)C2)cc1 854217438 NLSBSHAKBYXJLD-LTCOOKNTSA-N 319.449 1.616 10 10 DDCE CC[C@H](CO)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852453916 MGZFFCSMUOWULE-CHWSQXEVSA-N 307.394 1.344 10 10 DDCE CN1CCN(c2ccc(CN[C@H]3C[C@H](N)C34CCC4)cc2)CC1 925761255 BSHQPFBCBAXOGZ-ROUUACIJSA-N 314.477 1.798 10 10 DDCE CO[C@@H](CS(=O)(=O)NCc1c(O)cccc1F)C1CC1 921451649 UCSTZGXXHZOEJV-ZDUSSCGKSA-N 303.355 1.376 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@@]2(CC(C)C)CCNC2=O)c1 869410974 PUQOGMLDOPCMIZ-QGZVFWFLSA-N 304.390 1.869 10 10 DDCE Cc1cc(CC(=O)NC[C@H](O)[C@@H](C)O)c(C)n1-c1ccccc1 871142534 JGFDCRFPMXGNPF-PBHICJAKSA-N 316.401 1.495 10 10 DDCE COC(=O)[C@@H](C)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 897633889 AMWZNKLTBGEKIF-SSDOTTSWSA-N 309.343 1.946 10 10 DDCE CC(C)c1n[nH]cc1C(=O)OCC(=O)c1ccc(O)c(O)c1 782820007 FWPMLUAVBAVQTQ-UHFFFAOYSA-N 304.302 1.984 10 10 DDCE CN1CC[C@H](N(C)c2ccc(CO)cc2Br)C1=O 690132149 NSXAEUDIRIYAKD-LBPRGKRZSA-N 313.195 1.608 10 10 DDCE COc1ccc(CNC(=O)c2ccc(-n3cncn3)cc2)c(O)c1 794377297 RFYPIDBTEXUSLI-UHFFFAOYSA-N 324.340 1.912 10 10 DDCE COc1cc(Cl)cc(CNCCN=S(C)(C)=O)c1O 1913481974 HTXUKDYXCVEMIY-UHFFFAOYSA-N 306.815 1.871 10 10 DDCE CCN(CC)c1ccc(CNC(=O)/C=C\C(=O)N(C)C)cc1F 1443767706 GSBYJASICCHGFM-KTKRTIGZSA-N 321.396 1.933 10 10 DDCE COc1cccc(CNC(=O)c2cnn(-c3ccncc3)c2)c1O 1445969944 OGHCXGXEDQLMHT-UHFFFAOYSA-N 324.340 1.912 10 10 DDCE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)c1ccccc1O 1454822338 LARXVHVGPHVLGS-VIFPVBQESA-N 304.306 1.683 10 10 DDCE CCc1nnc(NC(=O)CCN2C(=O)CSC2=S)s1 1865767609 BEWYHBYUEAHDTE-UHFFFAOYSA-N 316.433 1.289 10 10 DDCE CN(C)[C@H]1COC[C@H]1Nc1c(N)cccc1Br 1922027091 GXGAVTVLFPCWAP-MNOVXSKESA-N 300.200 1.772 10 10 DDCE COc1cccc(CNC(=O)c2nc3ncc(C)cn3n2)c1O 1545684117 KLHGWZXQJLDSIW-UHFFFAOYSA-N 313.317 1.077 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](c2ncccn2)C1 1472055602 UAPXLHLJVKSGRW-LQPUYASZSA-N 311.341 1.917 10 10 DDCE NC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)nc1 1627072534 ACVZJUSUMWXDON-UHFFFAOYSA-N 322.324 1.364 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCC(=O)N2CCCC2)cc1 1626961789 SCQKOZSKYXNHGB-UHFFFAOYSA-N 303.322 1.201 10 10 DDCE CC(C)(C)OC(=O)NCCONCc1ccc(O)c(O)c1O 1928510850 KIBVCHFGKHCUDI-UHFFFAOYSA-N 314.338 1.349 10 10 DDCE COCCOC1CCC(C(=O)NCc2c(O)cccc2O)CC1 1635847739 TULSQCIHEMYDMH-UHFFFAOYSA-N 323.389 1.936 10 10 DDCE O=C(C[C@H]1COc2ccccc2O1)NCc1ccc(O)c(O)c1 1566359011 RVYSAUODXGOIKS-LBPRGKRZSA-N 315.325 1.944 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)[C@H]2CCOC2)cc1C 1567002000 KYHBDSMBJDWZEP-ZFWWWQNUSA-N 306.406 1.634 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)[C@@]23COC[C@@H]2C3)cc1C 1731592915 AWMQCVJMUVGLNK-XUWXXGDYSA-N 318.417 1.634 10 10 DDCE COC(=O)CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C 1588023857 NRALCUXTYGONMF-UHFFFAOYSA-N 314.341 1.809 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@H]1c1ccco1 1586212483 AUMJCBSRQWGIMM-LBPRGKRZSA-N 303.314 1.833 10 10 DDCE CCCNCc1ccc(N2CC(=O)NC(=O)[C@@H]2C)c(Cl)c1 164133366 DFWQZDYBVWBVOU-JTQLQIEISA-N 309.797 1.691 10 10 DDCE CNCc1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)cc1Cl 2145069806 DSAMXCUVEVUGTG-BXUZGUMPSA-N 314.838 1.683 10 10 DDCE C[C@]1(c2cc(I)ccc2O)COCCN1 1951873497 UMMKJHQOQIDEDM-LLVKDONJSA-N 319.142 1.832 10 10 DDCE C[C@H](NCc1cc(F)cc(F)c1O)[C@H]1CCS(=O)(=O)C1 2146102483 GCPDTZCUFFUNQD-IUCAKERBSA-N 305.346 1.583 10 10 DDCE Nc1ccc(O)c(CNS(=O)(=O)C[C@H]2CC[C@@H](F)C2)c1 2150403657 MINNCSKISZZQIY-GXSJLCMTSA-N 302.371 1.532 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3C[C@]3(CO)C2)cc1Br 2029646248 NYODIRMXEQNVEH-TVQRCGJNSA-N 315.186 1.866 10 10 DDCE Cc1sc(CO)cc1S(=O)(=O)NCc1ccccc1O 2157768181 LZERTWPRVFPNEZ-UHFFFAOYSA-N 313.400 1.733 10 10 DDCE CCN[C@H](c1ccccc1O)[C@](C)(O)CCS(C)(=O)=O 2160826525 DJFYAFSXCCXHJW-ZIAGYGMSSA-N 301.408 1.229 10 10 DDCE NCc1ccc(N2CCOCCOCC2)c(Br)c1 2041516530 GGIYHCVKRRLRHA-UHFFFAOYSA-N 315.211 1.761 10 10 DDCE CCNCc1ccc(N(CC)CCS(C)(=O)=O)c(F)c1 688528605 PIZIIDCKSPUTTK-UHFFFAOYSA-N 302.415 1.806 10 10 DDCE COC(=O)C=Cc1ccc(N2CCC[C@@H](CO)C2)c([N+](=O)[O-])c1 2053552181 JUWDLEYIBLVHQQ-CYBMUJFWSA-N 320.345 1.990 10 10 DDCE CC(C)(CC(N)=O)NCc1ccc(Br)cc1O 691428254 RCOFQWMNXHLQBE-UHFFFAOYSA-N 301.184 1.898 10 10 DDCE CN1C[C@H](CNCc2cccc(Br)c2O)CC1=O 723598732 CTNWCYPAGAYTNL-VIFPVBQESA-N 313.195 1.723 10 10 DDCE C[C@]1(CNCc2cc(F)ccc2O)CCCS(=O)(=O)C1 2194277585 ZFCHGDPLZSSQPZ-CQSZACIVSA-N 301.383 1.836 10 10 DDCE C[C@@H](O)c1cc(F)c(N2CC[C@@H](S(C)(=O)=O)C2)c(F)c1 2194517328 LLLUJYSSMYXXHY-PSASIEDQSA-N 305.346 1.641 10 10 DDCE O=[N+]([O-])c1cc(NS(=O)(=O)NCC(F)(F)F)ccc1O 2236167677 JMGQQFWVHBXOLP-UHFFFAOYSA-N 315.229 1.109 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CCC[C@@H]2C(=O)O)s1 2269094806 UVOOJFCHUXIVHD-BDAKNGLRSA-N 300.405 1.982 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2CCC[C@@H]2C(=O)O)s1 2284536929 HWTIYOXJJAHAAZ-DTWKUNHWSA-N 315.420 1.918 10 10 DDCE CCc1ccc([C@@H](C)NC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 60865156 GTBMHABYTFGYSD-LLVKDONJSA-N 315.373 1.834 10 10 DDCE CN(CCN1CCCS1(=O)=O)Cc1ccc(N(C)C)cc1 128944700 ANUKDLVKFQOZOU-UHFFFAOYSA-N 311.451 1.220 10 10 DDCE CCNC(=O)CN(C)c1ccc(CNC)c(Br)c1 233476194 VEFZNQRZLILJFI-UHFFFAOYSA-N 314.227 1.741 10 10 DDCE N[C@@H](c1cc(Br)cc(F)c1O)C(F)(F)CO 95716534 HZQNESYUXUJSSN-QMMMGPOBSA-N 300.074 1.921 10 10 DDCE OC[C@@H]1C[C@H]2CC[C@H]1N2Cc1ccc(N2CCOCC2)cc1 368229545 TZZKHSKFTHIXAB-CGTJXYLNSA-N 302.418 1.868 10 10 DDCE COCCN1CCCN(C(=O)c2ccc(C)c(O)c2O)CC1 272853199 SWTWBCYTEUIISA-UHFFFAOYSA-N 308.378 1.201 10 10 DDCE Cc1ccc(O)c(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 1896045355 ISQVIXCHFBTUFC-HIFRSBDPSA-N 322.405 1.770 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cc(O)ccc1[N+](=O)[O-] 802783714 CFOUSKVWDPMOJS-UHFFFAOYSA-N 304.258 1.642 10 10 DDCE COCCN(CC(=O)N(C)C)Cc1cc(Cl)c(F)cc1O 295238401 DQGYYPCSMDBQPR-UHFFFAOYSA-N 318.776 1.721 10 10 DDCE COc1ccc(O)c(CNc2ncccc2S(C)(=O)=O)c1 811805026 ICWFDTZTDKLCJQ-UHFFFAOYSA-N 308.359 1.811 10 10 DDCE CCCS(=O)(=O)CCN(C)Cc1c(O)cccc1OC 2170532425 FEVZAAZIZGJZOG-UHFFFAOYSA-N 301.408 1.657 10 10 DDCE Fc1cc(CNCc2cn[nH]c2)cc(F)c1N1CCOCC1 839146662 QBZGBCMRZVIMLD-UHFFFAOYSA-N 308.332 1.814 10 10 DDCE COC(OC)[C@@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C 915390390 LFAPPEITCYSPMS-GFCCVEGCSA-N 321.421 1.876 10 10 DDCE O=C(/C=C/COC1CCOCC1)NCc1ccc(O)cc1O 910954913 AQBWJQYYKXNWIQ-OWOJBTEDSA-N 307.346 1.466 10 10 DDCE CCO[C@@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)[C@H]1OC 922065946 OPOSXVNWZPBPQP-IACUBPJLSA-N 312.341 1.523 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](CO)C3)C2)cc1 854297499 PBBFXNGKPBGYQP-KGLIPLIRSA-N 319.405 1.298 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3nc(C)nn3C)C2)cc1 853818617 XIWSDPKHZGKTEH-LBPRGKRZSA-N 315.377 1.141 10 10 DDCE COc1ccc(N2CC[C@H](Nc3nc(C(N)=O)cs3)C2)cc1 853760359 JZXHSEMRWSQCHN-JTQLQIEISA-N 318.402 1.941 10 10 DDCE COc1ccc(O)c([C@H](C)NC[C@@]2(OCCO)CCOC2)c1 850510121 VFCKITIKMQOCRX-LRDDRELGSA-N 311.378 1.219 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC/C=C\CO)C2)cc1 854296503 JBXNWZULQJWDRR-ZRMMWKCHSA-N 305.378 1.122 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@H](C)CCN3)C2)cc1 852899867 FLMXHGVWWMFCPA-JKIFEVAISA-N 317.433 1.778 10 10 DDCE CC(=O)C(=O)COC(=O)c1c(C)nn(C2CCOCC2)c1C 850336867 GURORPAIKXXSEH-UHFFFAOYSA-N 308.334 1.166 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cc(C)nn3C)C2)cc1 855228920 FZHVJHSUNFOVRU-ZDUSSCGKSA-N 314.389 1.746 10 10 DDCE CCN1C(=O)/C(=C\c2cn(C[C@@H]3CCOC3)nn2)SC1=S 865213330 WYAFOYHETFBUAI-WUFUFFIZSA-N 324.431 1.536 10 10 DDCE CC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773027506 WRJWOWAPSBECPB-NHYWBVRUSA-N 321.446 1.851 10 10 DDCE O=C(CC1CS(=O)(=O)C1)NCc1cc(Cl)ccc1O 1119039623 QNWJWYBXFDIZET-UHFFFAOYSA-N 303.767 1.097 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1ccnn1C 885981049 MWDJMLDQHPSWRX-VLWUPBBWSA-N 301.346 1.592 10 10 DDCE Oc1c(F)cc(Br)cc1CN1C[C@H]2C[C@@]2(O)C1 895644859 GUOUWASGTOPZFF-PRHODGIISA-N 302.143 1.860 10 10 DDCE O=C(O)CN(Cc1ccccc1)C(=O)c1ccc(O)c(O)c1 692506626 ZEXNGLNBSTZYEW-UHFFFAOYSA-N 301.298 1.825 10 10 DDCE COc1cc(S(=O)(=O)N2CCC[C@@H](N=[N+]=[N-])C2)sn1 717761171 TYZSUSSUJVMPCE-SSDOTTSWSA-N 303.369 1.615 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCc2nnc(S)o2)cc1 1154906716 HOKJNKRJPMHKTC-UHFFFAOYSA-N 320.334 1.493 10 10 DDCE C[C@H]1CS(=O)(=O)CCN1c1cc(Cl)c(CN)cc1F 2120882423 XAOGTLSZLSNQGD-QMMMGPOBSA-N 306.790 1.561 10 10 DDCE CC(=O)C(=O)COC(=O)CCC(=O)N[C@@H](C)c1ccccc1 1332361841 ZJLMCKRRNKIUGI-NSHDSACASA-N 305.330 1.345 10 10 DDCE COc1ccc(CNCCN(CCO)C(=O)C(F)F)cc1C 1279640331 UFODGAUHWDNONE-UHFFFAOYSA-N 316.348 1.179 10 10 DDCE CCc1nncn1CCNC(=O)c1ccc(N=NC(N)=O)cc1 1444454501 PUUXSQXLULOFNR-UHFFFAOYSA-N 315.337 1.433 10 10 DDCE CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cccc(O)c1O 1466220232 RHIMQFWSJNSWGI-KYOSRNDESA-N 320.389 1.422 10 10 DDCE CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1545863679 XMYPPEYNBCGGRL-NEPJUHHUSA-N 317.349 1.494 10 10 DDCE CCN1C[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1=O 1639904238 QCHWIWNEWJIRRR-JTQLQIEISA-N 317.349 1.447 10 10 DDCE COCCOc1cncc(C(=O)NCc2ccc(O)cc2O)c1 1630306638 INRMIYNYQPILRG-UHFFFAOYSA-N 318.329 1.448 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCC(=O)NC1 1633819517 QRIIEEBMPNALSE-ZYHUDNBSSA-N 306.362 1.061 10 10 DDCE COC(=O)N(C)CC(=O)NCc1c(O)ccc2ccccc12 1647788590 KHJVHIZFIAMPCP-UHFFFAOYSA-N 302.330 1.860 10 10 DDCE CN(C)c1cccc(NS(=O)(=O)c2cccnc2NN)c1 161314337 ZKNJWDBHWNYMAK-UHFFFAOYSA-N 307.379 1.234 10 10 DDCE CC(C)(C)OC(=O)CS(=O)(=O)CCOc1ccc(N)cc1 166814769 XMWGHQITXSYZMW-UHFFFAOYSA-N 315.391 1.404 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NC(=O)c1ccc(O)c(O)c1 1986696379 PRZIPHFALPGLHK-GHMZBOCLSA-N 322.361 1.883 10 10 DDCE COC[C@]1(O)CCN(c2ccc(CO)cc2Br)C1 2034302420 XCHHBGMKTOOFBR-ZDUSSCGKSA-N 316.195 1.529 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](CO)C2)c(Br)c1 316231673 BZCACIUMUGCOIL-PLMOITTCSA-N 315.211 1.258 10 10 DDCE CN(C)C[C@@H](CO)NCc1cccc(Br)c1O 716692684 YMKUSHJDIKEWGP-JTQLQIEISA-N 303.200 1.167 10 10 DDCE Cc1cccc(Cn2ncnc2I)c1O 2070063639 WVUMJAXNOUBWBS-UHFFFAOYSA-N 315.114 1.945 10 10 DDCE CS(=O)(=O)c1cnn(Cc2cc(Cl)ccc2O)c1O 2070260502 BMGGMMHDEQJXQY-UHFFFAOYSA-N 302.739 1.400 10 10 DDCE OC[C@@H]1NC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]21 2235567728 QBURHBYFQKEANP-CDMKHQONSA-N 317.216 1.711 10 10 DDCE COCC(COC)ONCc1cc(Br)ccc1O 2256195632 ICNGALDJNQMBNJ-UHFFFAOYSA-N 320.183 1.837 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2CC[C@@H]2C(=O)O)s1 2269132079 BJDBGQXWSDFFLN-JGVFFNPUSA-N 301.393 1.527 10 10 DDCE CO[C@@H]1CN[C@@](C)(C(=O)NCc2cnc(SC)s2)C1 2269202371 RXOKPYIZVIMZRI-QPUJVOFHSA-N 301.437 1.248 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H](C(=O)O)[C@@H](F)C2)s1 2284507716 MTFYGPYZQVJSGE-SFYZADRCSA-N 319.383 1.429 10 10 DDCE CO[C@@H](CCO)CNCc1ccc(C)c(Br)c1O 2327792543 LFGSEVRQIJRYMD-NSHDSACASA-N 318.211 1.950 10 10 DDCE Cn1cc(Br)nc1[C@H](O)[C@@H](N)c1ccccc1O 2328463111 WCHBZRDQKFHIHK-WDEREUQCSA-N 312.167 1.622 10 10 DDCE CN(C)c1ccc(CNC(=O)NC2CCC(O)CC2)cc1F 58482961 JWFCQAWFMSPNAN-UHFFFAOYSA-N 309.385 1.994 10 10 DDCE 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CSc1ncc(CN[C@@H](C)C(=O)N2CCOCC2)s1 2269093871 PQPCJRWOCQEVGD-VIFPVBQESA-N 301.437 1.202 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2c[nH]ccc2=O)s1 2269281776 ZIOSIRFEIZXQLZ-UHFFFAOYSA-N 317.417 1.032 10 10 DDCE CC[C@H]1C(=O)NC(C)(C)C(=O)N1Cc1cnc(SC)s1 2284666768 QFPKPJHMFHMEOO-VIFPVBQESA-N 313.448 1.881 10 10 DDCE Cc1ccc(CNC(=O)C2(O)CC2)c(O)c1Br 2307570752 QEIIAWHRBMOFLC-UHFFFAOYSA-N 300.152 1.604 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@@H](N2CCOCC2)C1 2308001723 JSNSLHQMUZJOKM-CQSZACIVSA-N 318.373 1.044 10 10 DDCE Cc1ccc(CNC(=O)[C@@H]2C[C@@H](C)N2)c(O)c1Br 2327804044 KQGNOWICGVBNBK-SCZZXKLOSA-N 313.195 1.830 10 10 DDCE C[C@H]1CN(C(=O)[C@@H](C)N(C)Cc2ccccc2O)C[C@@H](C)O1 171925560 NGWAOEVNTFQZDM-HZSPNIEDSA-N 306.406 1.848 10 10 DDCE CN1C[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CCC1=O 128590456 FOEOMXMQSLOFST-LBPRGKRZSA-N 322.384 1.312 10 10 DDCE NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1Br 228146787 GSSKVLNWVQQJRW-SNVBAGLBSA-N 312.211 1.610 10 10 DDCE COC[C@H](O)CCN[C@H](C)c1ccc(N2CCC(O)CC2)cc1 90949428 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COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(Cl)c(F)cc1O 294652461 KWQQOJPBXDYUOE-GZMMTYOYSA-N 303.717 1.293 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(OCc2noc(C)n2)cc1 808493049 PLFJREPBQKDRAN-UHFFFAOYSA-N 318.285 1.272 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC(C2CCOCC2)C1 800600180 NOCCCXPRPLKJEJ-RQOWECAXSA-N 303.358 1.996 10 10 DDCE COc1ccc(O)c(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c1 827544964 POHJSOLGCZUMHW-ZDUSSCGKSA-N 307.394 1.589 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCCN(C)C2)c1 729049027 BGIYHABKWDOKTE-NWDGAFQWSA-N 307.394 1.855 10 10 DDCE CCN(Cc1cc(C)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 732445390 JRGDEODHKSLOKH-ZDUSSCGKSA-N 313.419 1.718 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2CC23CCNCC3)cc1F 831171715 GQNAXCPKAFZLNU-OAHLLOKOSA-N 320.412 1.833 10 10 DDCE C[C@@H](NC(=O)C[C@@]1(O)CCCN(C)C1)c1ccc(N(C)C)cc1 907493276 PXULIRDIJBJWMO-KDOFPFPSSA-N 319.449 1.777 10 10 DDCE CN1C(=O)CCC[C@H]1C(=O)NCc1ccc2cccnc2c1O 911262739 VCBMPJSCCPWKRE-ZDUSSCGKSA-N 313.357 1.568 10 10 DDCE CCN(CC)CC[C@H](CO)NC(=O)/C=C/c1ccc(O)c(O)c1 848025397 SSEZZONLMVLQJX-IZPAUZPXSA-N 322.405 1.320 10 10 DDCE COc1ccc(CNC(=O)N[C@H]2C[C@@H](C)n3ncnc32)c(O)c1 852478205 RJEQTZXGYSQLHK-SKDRFNHKSA-N 317.349 1.498 10 10 DDCE CCn1nc(C)c(CN[C@H]2CCN(c3ccc(OC)cc3)C2)n1 850346761 JKAFFZPUJNXTCO-AWEZNQCLSA-N 315.421 1.984 10 10 DDCE C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H](C)C1O 853834033 MZULRMNXTNVWRA-IUCAKERBSA-N 321.333 1.379 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCc3n[nH]cc3C2)c1O 857876853 AVMZVYZXMUGWMO-UHFFFAOYSA-N 304.306 1.590 10 10 DDCE COC[C@@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852060549 VVFTWVFEXLRJCH-KBPBESRZSA-N 321.421 1.856 10 10 DDCE CCOCCONC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852257007 MDSUDUJPSPOHDD-CYBMUJFWSA-N 323.393 1.541 10 10 DDCE COCCCNC(=O)COc1ccc(N(C)C)c(C(=O)OC)c1 865396528 UXHRBYBFUPFSBE-UHFFFAOYSA-N 324.377 1.071 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCCCC[C@@H](N)C2)cc1 866671406 RREUOUWPRUNJKH-MRXNPFEDSA-N 318.465 1.572 10 10 DDCE NC(=O)C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 862534339 AAFZJKHLPHVCCP-QMMMGPOBSA-N 302.733 1.261 10 10 DDCE Nc1ccc(CNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)cc1 868061783 NQEXOGUZPLRCLS-MNOVXSKESA-N 304.268 1.231 10 10 DDCE CC(C)N(CCN(C)C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1118953761 WQTFQMXSHQICAP-UHFFFAOYSA-N 319.405 1.033 10 10 DDCE Oc1cc2c(cc1CNC[C@H](O)Cc1ccccc1F)OCO2 886234432 OBWPYXCFJYKQBV-CYBMUJFWSA-N 319.332 1.953 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3CO[C@@H](C)C3)CC2)cc1 784014093 DNOSYMVHZLROCR-KBPBESRZSA-N 304.390 1.769 10 10 DDCE CNC(=O)C[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 897916214 GTHSNBRPHRIYDM-SSDOTTSWSA-N 308.359 1.567 10 10 DDCE COc1cc(C)cc(CN[C@H](CO)C[C@@H](O)C(C)(C)C)c1O 894691278 TYBLJFKJKRAYKX-DZGCQCFKSA-N 311.422 1.957 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cc2n(n1)CCC[C@H]2O 1178416550 HTLHLVJSYUYJQT-CQSZACIVSA-N 305.309 1.485 10 10 DDCE COc1ccc(N2CC[C@H](Nc3ccc(C(N)=O)cn3)C2)cc1 1330668825 OBWZBMMFABGSGJ-ZDUSSCGKSA-N 312.373 1.880 10 10 DDCE CNC(=O)[C@H](C)N(C)c1ccc(CN)c(Br)c1F 1916794379 FWSMYQWLVXWKBV-ZETCQYMHSA-N 318.190 1.618 10 10 DDCE C[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[S@](C)=O 1465783918 VWIPITXVGZUZJC-FPVGNUTFSA-N 310.379 1.736 10 10 DDCE CCCN(CCC(=O)OCC)C(=O)c1cc(O)c(O)c(O)c1 1866302999 GGPMIMYZPUSDKP-UHFFFAOYSA-N 311.334 1.609 10 10 DDCE CC(C)CN1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C)C1=O 1625720998 DWKNGURZHKXDPI-GFCCVEGCSA-N 320.389 1.356 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@H]2C[C@@H](C)CO2)cc1C 1493634544 GOOMUGVIJFZQRI-CXAGYDPISA-N 320.433 1.977 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CO)c1cccnc1 1639448453 UGMZUQUCPIUEOT-AGLBCWCQSA-N 300.314 1.356 10 10 DDCE CC(=O)NC/C=C\CNC(=O)c1ccc(N=NC(N)=O)cc1 1689185560 NDVFQIACQJWKMG-IANVQHRHSA-N 303.322 1.271 10 10 DDCE CNCc1ccc(N2CCNC(=O)CC2)c(C(F)(F)F)c1 163713100 LGSJIQXCESTTRM-UHFFFAOYSA-N 301.312 1.751 10 10 DDCE Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)NCCN=[N+]=[N-] 1965102863 UYFHINMIHYPETG-UHFFFAOYSA-N 323.357 1.485 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](O)CN[C@H]1CCc2cccc(O)c21 1985781588 ZVNPDJTUHYHFEF-STQMWFEESA-N 322.405 1.855 10 10 DDCE OC[C@H](O)C1(NCc2cc(Br)ccc2O)CC1 2015900096 MYVQDEPAAKKBFM-NSHDSACASA-N 302.168 1.130 10 10 DDCE COC(=O)CCCS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2155551401 JYORRTQSIKOCFJ-SNVBAGLBSA-N 304.372 1.434 10 10 DDCE C[C@@H](NCc1cccc(Br)c1O)c1nc(O)n[nH]1 392344326 DOJIUYSEZBDTJF-ZCFIWIBFSA-N 313.155 1.829 10 10 DDCE COc1ccc([C@H](C)n2cc(C(=O)NC3CC3)c(O)n2)c(O)c1 2070639834 AJPCATNCTDJRPP-VIFPVBQESA-N 317.345 1.804 10 10 DDCE CC1(C)CN(c2ccc(CN)c(F)c2F)CCS1(=O)=O 2170274510 JRXCMMDNESTMKN-UHFFFAOYSA-N 304.362 1.437 10 10 DDCE CCCS(=O)(=O)C[C@H](C)N[C@H](C)c1c(O)cccc1O 2170588891 CINJVBDZRHHFSU-WDEREUQCSA-N 301.408 1.962 10 10 DDCE C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1c(O)cccc1O 2191411473 YILXJEVGSWTJQV-SNVBAGLBSA-N 301.408 1.962 10 10 DDCE CC1(C)OC[C@@H](NCc2c(O)cccc2Br)[C@@H]1O 2078740817 ZCZORCGROGJLFV-PWSUYJOCSA-N 316.195 1.783 10 10 DDCE CN(CCN(C)S(C)(=O)=O)c1ccc(CN)cc1Cl 2090798949 HODUQSVHFMKJHW-UHFFFAOYSA-N 305.831 1.126 10 10 DDCE CSc1nc(Cl)cc(=NC(=O)c2cc(O)nc(O)c2)[nH]1 2203518953 VHJOVOIRUIKHCJ-UHFFFAOYSA-N 312.738 1.332 10 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2365283117 MBXAMPMJBRNOPS-SFYZADRCSA-N 319.408 1.028 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCCN(S(=O)(=O)CCOCCF)C1 2365551416 SEUANPDVOSKBPJ-NSHDSACASA-N 308.379 1.715 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCc2ccccn2)cc1 70490511 CDDKITFXODYXNT-UHFFFAOYSA-N 307.375 1.162 10 10 DDCE NC(=O)CN(Cc1ccc(N)cc1)c1nc(C2CC2)ns1 87642950 OBRHCFNLYLQVLD-UHFFFAOYSA-N 303.391 1.490 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)COc1cnn(C)c1 337272019 ODZGERNRYOWZGR-UHFFFAOYSA-N 316.361 1.291 10 10 DDCE CC[C@@H]1C(=O)NC(=O)CN1c1ccc([C@@H](C)NC)cc1Cl 97319338 SAWQLJDNQXUIQA-BXKDBHETSA-N 309.797 1.862 10 10 DDCE C[C@@H]1O[C@H](C)[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)[C@@H]1C 530209509 JYQSCGOORYNDJQ-JBBSTSQOSA-N 318.373 1.968 10 10 DDCE CN1CCCc2cc([C@H]3NC(=O)[C@@H]4CSCCN34)ccc21 270856139 ZVGDMODLXOLBQK-GJZGRUSLSA-N 303.431 1.615 10 10 DDCE CCOc1ccc(O)c(CN2CCC[C@@H](S(C)(=O)=O)C2)c1 274075176 GEYNFFQPZSOEQQ-CQSZACIVSA-N 313.419 1.800 10 10 DDCE C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)Cn1ccnc1 588407197 OHDLSUVAEITVAI-FHMRSRPSSA-N 301.346 1.760 10 10 DDCE COc1cc(O)c(CN2C[C@H]3CC[C@H]2[C@@H]2CNC[C@H]32)cc1OC 903964500 UBGWLPYNZDQZIM-NGFQHRJXSA-N 318.417 1.839 10 10 DDCE OC[C@@]1(O)CCCN(Cc2ccc(N3CCCCC3)cc2)C1 839156137 YHVYMXJFHHWFTQ-GOSISDBHSA-N 304.434 1.996 10 10 DDCE CC(=O)c1cc(Cl)cc(CN[C@@H](CO)c2ccnn2C)c1O 839185922 FOZGIQKWARXSNX-ZDUSSCGKSA-N 323.780 1.805 10 10 DDCE COc1ccc(N2CC[C@H](NS(=O)(=O)CC3CC3)C2)cc1 849415883 GWLSFBUJBBZTBL-ZDUSSCGKSA-N 310.419 1.603 10 10 DDCE C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)c2ncnn21 855329036 ZIPZIPBOTNVTLM-PMEPJVLUSA-N 300.318 1.525 10 10 DDCE COc1cccc([C@H](C)NC[C@]2(OCCO)CCOC2)c1O 850506546 FREWMJHAAIZPGM-BLLLJJGKSA-N 311.378 1.219 10 10 DDCE CC[C@H](N)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851667051 KOVRNQANCSBEIW-QWHCGFSZSA-N 306.410 1.310 10 10 DDCE CCOC(=O)C1=CC[C@H](NCc2cc3c(cc2O)OCO3)C1 862487058 LETNEUPMOPWPJX-LBPRGKRZSA-N 305.330 1.862 10 10 DDCE CC(=O)c1cc(O)ccc1NS(=O)(=O)N1CCC[C@@H](C)C1 766050561 JKWHGESJQVHDNQ-SNVBAGLBSA-N 312.391 1.983 10 10 DDCE CNC(=O)NC[C@@H]1CN(Cc2ccc(N(C)C)cc2C)CCO1 862461652 LINLAHJSWCAXMA-MRXNPFEDSA-N 320.437 1.191 10 10 DDCE CO[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@](C)(CO)C1 870524848 BVZOKYZZSXTWHP-AFKMGRNLSA-N 307.346 1.109 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CC[C@@H]4C[C@@H]43)c(Br)cc21 706974679 SQURKDOTJIOGFR-HUABCPSTSA-N 308.179 2.000 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1nccc1N 1136428844 OGWVUWCSDJALOC-UHFFFAOYSA-N 301.394 1.580 10 10 DDCE COC(=O)c1nc(C(=O)NCc2ccc(O)c(O)c2)cs1 1150378519 SKCIHXKOBHTCBA-UHFFFAOYSA-N 308.315 1.271 10 10 DDCE COC(=O)/C=C/[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1181338705 NHIROHPIVCJDGN-FJBMEREWSA-N 304.306 1.697 10 10 DDCE CS(=O)(=O)N1CC[C@@H](CN2CCC(CN=[N+]=[N-])CC2)C1 1912189292 VHJKIXPGCZXLES-LBPRGKRZSA-N 301.416 1.290 10 10 DDCE CNCc1ccc(N2C[C@@H]3[C@H](C(N)=O)[C@@H]3C2)cc1Br 2136612007 YUJMXVFQEOBNCJ-PTEHBNRSSA-N 324.222 1.336 10 10 DDCE COc1ccc(CC(=O)NCc2cccc(O)c2O)cc1OC 1471644132 NFCFELCTHLEZCB-UHFFFAOYSA-N 317.341 1.974 10 10 DDCE C[S@@](=O)c1ccc(CC(=O)NCc2c(O)cccc2O)cc1 1472063182 GHUXOPKSCLXMBF-JOCHJYFZSA-N 319.382 1.694 10 10 DDCE CN(c1ccc(CNC(=O)C2(O)COC2)cc1)C1CCCCC1 1627005788 FXDVEINFDLZQJA-UHFFFAOYSA-N 318.417 1.833 10 10 DDCE COc1cc(C(=O)NCc2cc(O)ccc2O)ccc1[N+](=O)[O-] 1558174806 UTZYTSHBJNJREL-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE CNC(=O)C1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 1627470950 CAGMRWNOEHWCFC-UHFFFAOYSA-N 317.349 1.638 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2cn(C)cn2)cc1C 1714226806 SUXXPDOXYVSNOQ-CYBMUJFWSA-N 316.405 1.645 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)CCN(C)C)cc1C 1491570241 ZSPNQQKFKTXVNG-CQSZACIVSA-N 307.438 1.550 10 10 DDCE COC(=O)c1cnc(C(=O)N[C@@H](C)c2ccccc2O)cn1 1635804298 SKLMRVLGYHQCTL-VIFPVBQESA-N 301.302 1.460 10 10 DDCE CCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C[C@H](C)O 1567357333 VPQKBEUCAYVGKV-NSHDSACASA-N 321.381 1.282 10 10 DDCE NCc1ccc(N2CCC[C@@H]3C(=O)NC[C@@H]32)c(Br)c1 232278399 OITGZCBOFNXECV-GWCFXTLKSA-N 324.222 1.623 10 10 DDCE CCC1(O)CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 1772923610 ZDAFGLDGVUSBJS-ALCCZGGFSA-N 306.318 1.742 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)NCCN=[N+]=[N-] 1885562692 JKAFDISHRVPOHL-VIFPVBQESA-N 301.347 1.079 10 10 DDCE Cc1c(C(=O)NCCCN=[N+]=[N-])nn(C)c1Br 2002814058 CKFAONYYTVUUAJ-UHFFFAOYSA-N 301.148 1.921 10 10 DDCE CNCc1ccc(N(C)[C@H](C)CC(N)=O)cc1Br 2033940072 MBOYTLQDJBKUCJ-SECBINFHSA-N 314.227 1.869 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@@H]2C[C@@H]2C(F)(F)F)cc1 2159790381 MVXJJJAEDRLUIZ-ONGXEEELSA-N 308.325 1.887 10 10 DDCE Cc1cc(NS(=O)(=O)N2CCC[C@@H]2CO)c(C)cc1O 2161898304 AZWNBXQQYXRRPB-LLVKDONJSA-N 300.380 1.122 10 10 DDCE Cn1ncc(NC(=O)c2cc(O)nc(O)c2)c1Br 2077111885 ZDJGMTZOMNDBSQ-UHFFFAOYSA-N 313.111 1.241 10 10 DDCE CNCc1ccc(N(C)CCCS(C)(=O)=O)cc1OC 2204537869 VPNDRKGMNGSFBO-UHFFFAOYSA-N 300.424 1.286 10 10 DDCE CNCCN(C)Cc1c(Br)ccc(OC)c1O 2214866272 GECLAOOSKHJYRA-UHFFFAOYSA-N 303.200 1.815 10 10 DDCE NCc1ccc(N2CCC[C@H]3CNC(=O)[C@H]32)c(Br)c1 2264599223 OOWDGYHUACDJBZ-GWCFXTLKSA-N 324.222 1.623 10 10 DDCE CCCN[C@@H]1COC[C@H]1C(=O)NCc1cnc(SC)s1 2284504164 KEYPPBHRVLUTEP-GHMZBOCLSA-N 315.464 1.496 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@H]2CCCn3ncnc32)cc1 176831675 JEEJZPRZEXJYLM-AWEZNQCLSA-N 314.393 1.678 10 10 DDCE C[C@H]1COC[C@@H](C)N1CC(=O)N(C)Cc1ccc(N(C)C)cc1 172552917 GEPWNEZGVAHHLI-GASCZTMLSA-N 319.449 1.820 10 10 DDCE COc1ccnc(N2CCN(Cc3cccc(C)c3O)CC2)n1 179676988 KEAZRGNEVPCJFK-UHFFFAOYSA-N 314.389 1.821 10 10 DDCE COc1ccc(S(=O)(=O)NCCc2ccc(N)cc2)cc1 32205414 RLYCUPPWWXLYOY-UHFFFAOYSA-N 306.387 1.798 10 10 DDCE COc1ccc([C@H](C)NN(C)S(=O)(=O)C(C)C)c(O)c1 2365341678 NQTRMOUWBYPEEU-JTQLQIEISA-N 302.396 1.636 10 10 DDCE NCc1ccc(N2CC[C@@H](S(=O)(=O)C(F)F)C2)c(F)c1 2368715210 YEMUIKGMSHNTCM-SECBINFHSA-N 308.325 1.501 10 10 DDCE COCCN(CCOC)C(=O)N(C(C)=O)c1ccc(N)cc1 242908093 GROULSNJCGMVIA-UHFFFAOYSA-N 309.366 1.337 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)c1O 366093513 SXZJARISLUMGMB-LLVKDONJSA-N 316.361 1.481 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCn3cc(C)nc3C2)c1O 373911535 RGPYWRSWMSCQOC-UHFFFAOYSA-N 318.333 1.830 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C 376242860 YVOORICBXHEQOE-DHSIGJKJSA-N 318.417 1.883 10 10 DDCE CN(Cc1cnsn1)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 2167124367 KHYUHFFNHXLIOO-LLVKDONJSA-N 309.782 1.780 10 10 DDCE C[C@H]1[C@@H](N)CCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 818604617 MTJFCOMBVDWWSH-GWCFXTLKSA-N 316.430 1.878 10 10 DDCE C[C@H](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)c1ccccc1O 827957804 ZCOHXZIEDVQUGM-KAZGXEIQSA-N 317.341 1.290 10 10 DDCE C[C@@H]1CN(Cc2cccc(Cl)c2O)CCN1S(C)(=O)=O 827271003 ISUPXSJUBBJPAL-SNVBAGLBSA-N 318.826 1.511 10 10 DDCE Nc1ccc(OCCON2C(=O)COc3cccc(N)c32)cc1 821300683 XDDVHYHNXAHGBX-UHFFFAOYSA-N 315.329 1.587 10 10 DDCE O=C(NC1(CO)CCOCC1)c1cc2cc(O)c(O)cc2s1 901355050 ARLZPAZCESFFDP-UHFFFAOYSA-N 323.370 1.584 10 10 DDCE COC[C@@H](C)NC(=S)N[C@H]1CCN(c2ccc(OC)cc2)C1 849271186 CHDSWACMJKHWMO-OLZOCXBDSA-N 323.462 1.773 10 10 DDCE COc1ccc(N2CC[C@@H](N3C(=O)N[C@H](C(C)C)C3=O)C2)cc1 849356393 DXKGITKRDOHHKU-UKRRQHHQSA-N 317.389 1.850 10 10 DDCE C[C@H]1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C[C@H]1C 846246197 DTIMWKXCNMSALD-VHSXEESVSA-N 304.350 1.611 10 10 DDCE COCc1cc(O)ccc1NS(=O)(=O)N1CCC[C@H]1C 840918041 OWNSFQLHNBBDAL-SNVBAGLBSA-N 300.380 1.680 10 10 DDCE COC(=O)[C@H](NCc1cc(OC)ccc1O)c1ccnn1C 843429829 IWDZOWAJQOOCQC-CQSZACIVSA-N 305.334 1.138 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CN(C)C(C)C)C2)cc1 855229429 KGOBZUFVHNBHDB-AWEZNQCLSA-N 305.422 1.730 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3noc(C)n3)C2)cc1 853818056 RQWBTMFYSWAPNK-NSHDSACASA-N 302.334 1.395 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1cn(C2CC2)nn1 862024700 BUKJPCCQBHDMPO-UHFFFAOYSA-N 309.329 1.797 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@H](O)C(F)(F)F 779520806 VSXPAAAXLFXAQN-MORRKMRCSA-N 305.252 1.541 10 10 DDCE COCCn1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1=O 871201189 RKNSTBMIMJJBQW-UHFFFAOYSA-N 314.341 1.356 10 10 DDCE O=C(O)c1cc(NS(=O)(=O)c2cnc3n2CCC3)ccc1O 776434210 AGZZBTVSWIJHIS-UHFFFAOYSA-N 323.330 1.034 10 10 DDCE Cc1cc(Br)c(O)c(CN2C[C@H](O)[C@H](O)C2)c1 781911424 MKBPEBQQAOVWQU-PHIMTYICSA-N 302.168 1.001 10 10 DDCE CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cc(F)cc(F)c2O)C1 895332378 KDUCBMNYIQECLG-GFCCVEGCSA-N 313.348 1.858 10 10 DDCE O=C1CC2(CCC2)N(Cc2cc3c(cc2O)OCO3)CCN1 895928815 PTEZQCGAGUAVJO-UHFFFAOYSA-N 304.346 1.366 10 10 DDCE CC1=C[C@@H](C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 797776989 CWIRFDSODHUTHM-SNVBAGLBSA-N 324.402 1.802 10 10 DDCE C[C@@H](N)c1ccc(N2CCSC[C@@H]2S(C)(=O)=O)cc1O 93671978 MTEFPLWPIHFESJ-RNCFNFMXSA-N 316.448 1.336 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)[C@@H](O)c1ccccn1 1162612773 PVXLDDHADFXJHP-INIZCTEOSA-N 309.325 1.685 10 10 DDCE COc1cc(Br)cc([C@@H]2C[C@H](O)CCN2)c1O 1906074055 IYQFWDYCXPYMIV-SCZZXKLOSA-N 302.168 1.949 10 10 DDCE CS(=O)(=O)N1CC[C@@H](CN2CCC[C@H](CN=[N+]=[N-])C2)C1 1912204997 ZVFCBOYRPQJIQH-NEPJUHHUSA-N 301.416 1.290 10 10 DDCE NCc1cc(F)c(N2CC[C@](F)(CO)C2)cc1Br 1917067650 NMQNKEORVKAWGN-GFCCVEGCSA-N 321.165 1.958 10 10 DDCE C[C@H](CC[S@](C)=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1294064719 XYNVRWJHDWNVKJ-BTKVJGODSA-N 310.379 1.736 10 10 DDCE COc1ccc(CNC(=O)c2ccncc2NC(C)=O)c(O)c1 1467470819 OKBPRUWZARJKIR-UHFFFAOYSA-N 315.329 1.684 10 10 DDCE C[C@H](NC(=O)N(C)Cc1nc[nH]n1)c1ccc(N(C)C)cc1 1469853904 OYBQSZKQYCCLMN-NSHDSACASA-N 302.382 1.773 10 10 DDCE O=C1NC(=O)[C@@H](c2ccc(NC(=O)c3cc(O)cs3)cc2)N1 1470576692 WYQYVYOQWCUQKZ-LLVKDONJSA-N 317.326 1.587 10 10 DDCE COCCNC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1483794776 QRDQDUJIXIJICQ-UHFFFAOYSA-N 319.365 1.347 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1ccc2c(O)ncnc2c1 1622663950 APSMNVKYTGAURG-UHFFFAOYSA-N 311.297 1.677 10 10 DDCE COC(=O)c1cc(C)c(C(=O)NCc2c(O)cccc2O)o1 1635851210 ZQEGMKWNMXRSAR-UHFFFAOYSA-N 305.286 1.716 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CCO)Cc1ccccc1 1634970278 CCOZDIWFFFCPLF-HNNXBMFYSA-N 315.369 1.750 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@@H]2CCCO2)cc1C 1567462549 JSMDKCDBCBFHFQ-INIZCTEOSA-N 306.406 1.731 10 10 DDCE C[C@H](NC(=O)c1sccc1-n1cnnn1)c1ccccc1O 1643741874 CWFDGYMCOVDWBL-VIFPVBQESA-N 315.358 1.920 10 10 DDCE O=C1N[C@@H](Cc2ccc(O)c(O)c2)C(=O)N1CC(F)(F)F 158024576 MTUYSHFJPXQOAT-ZETCQYMHSA-N 304.224 1.123 10 10 DDCE CN(Cc1ccccc1O)c1ncnc(NN)c1Br 1877518530 VQXSQHIUYQBPJL-UHFFFAOYSA-N 324.182 1.867 10 10 DDCE Nc1ccc(O)c(CN2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c1 1977926159 OINZPKPPYYYSBX-WDEREUQCSA-N 315.295 1.322 10 10 DDCE C[C@](O)(CCO)CNCc1cc(Br)ccc1O 1999978946 KMYPOIQOXJLMJW-LBPRGKRZSA-N 304.184 1.378 10 10 DDCE Cn1nnc(Br)c1CN1CCC[C@H]1CN=[N+]=[N-] 2009443163 NTTAYZPCXJDGLC-ZETCQYMHSA-N 300.164 1.852 10 10 DDCE OCC1(NCc2c(O)cccc2Br)CC(O)C1 2018273751 CYPQJRCVJMTKFZ-UHFFFAOYSA-N 302.168 1.130 10 10 DDCE CN1CCCc2cc(C=CC(=O)NCCCC(N)=O)ccc21 2041531312 JAFIBSREYRVGSI-UHFFFAOYSA-N 301.390 1.464 10 10 DDCE CN[C@@H](C)c1ccc(N(C)[C@H](C)CS(C)(=O)=O)c(F)c1 688547190 HJKSOOUBLMFUCC-MNOVXSKESA-N 302.415 1.975 10 10 DDCE COc1cc(CNS(=O)(=O)Cc2ccc(N)cc2)sn1 399095905 CUQOKYFGMYWGDG-UHFFFAOYSA-N 313.404 1.354 10 10 DDCE CS(=O)(=O)c1cnn(Cc2ccc(Cl)cc2O)c1O 2070261981 JTOOXSWBFWAYRF-UHFFFAOYSA-N 302.739 1.400 10 10 DDCE C[C@H](c1ccc(F)cc1O)n1cc(C(=O)NC2CC2)c(O)n1 2070642994 QHGCLOGSVHQMCD-MRVPVSSYSA-N 305.309 1.935 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)cc1Br 2068405684 HPIAGOJLUYIGFO-CKLFPEKLSA-N 316.195 1.434 10 10 DDCE O=C(O)[C@@]1(O)CCN(Cc2c(O)cccc2Br)C1 2076873370 NUNOMADLQFDZFL-GFCCVEGCSA-N 316.151 1.176 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CNC1(c2nn[nH]n2)CC1 2094709867 VUBUQNZHRUODRL-UHFFFAOYSA-N 300.149 1.991 10 10 DDCE NCc1cc(F)c(N2C[C@@H](F)C[C@@H](O)C2)cc1Br 2219164536 LYPAIXPCVPFCIW-DTWKUNHWSA-N 321.165 1.956 10 10 DDCE COC(=O)N[C@@H](C)CNCc1cc(Br)ccc1O 2261517246 ICENPRFJFKAVHD-QMMMGPOBSA-N 317.183 1.989 10 10 DDCE COC(=O)C1=C(C)N(C)C(=O)C1=Cc1ccc2c(c1)OCO2 2294028572 WXBIQDUBLSNKEE-UHFFFAOYSA-N 301.298 1.718 10 10 DDCE CN1C(=O)CCN(C(=O)/C=C\c2cnccn2)c2ccccc21 491842033 FCZKNCGVGLZKKQ-SREVYHEPSA-N 308.341 1.890 10 10 DDCE COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)N(C)C 62160262 NAHOAYNEMZAKLO-UHFFFAOYSA-N 306.366 1.067 10 10 DDCE CC/C=C(\C)C(=O)NC[C@H](CO)NCc1ccc(OC)c(C)c1 1278054739 VVZKDHDYSBNKPJ-MSXUNZPYSA-N 320.433 1.927 10 10 DDCE COc1cccc(CN(C)CC2CCN(C[C@@H](C)O)CC2)c1O 121135678 ZHYSJTCLSRORKC-CQSZACIVSA-N 322.449 1.925 10 10 DDCE Cc1ncn(CC(=O)NCc2ccc(N(C)C)cc2)c(=O)c1C 188231421 QMHRCKIKVSBNOO-UHFFFAOYSA-N 314.389 1.243 10 10 DDCE CCS(=O)(=O)N1CCN(c2ccc(OC)c(Cl)c2)CC1 242449813 BOEJVUWMZTYWJD-UHFFFAOYSA-N 318.826 1.820 10 10 DDCE O=C(Cn1cncn1)NCc1cc(Br)ccc1O 804739886 XCPSKXUHYVIWPV-UHFFFAOYSA-N 311.139 1.063 10 10 DDCE CC(=O)C(=O)COC(=O)CCCc1ccc2nc(O)[nH]c2c1 808515740 OJGDIQIWGAMLFD-UHFFFAOYSA-N 304.302 1.293 10 10 DDCE C[C@@H](NC(=O)N1C[C@H]2COC[C@@H](C1)O2)c1ccc(N(C)C)cc1 801051960 VQKMICXLAJTHFZ-WQVCFCJDSA-N 319.405 1.623 10 10 DDCE Cc1ccc(O)c(CNc2ccc(C(=O)NCC(N)=O)cc2)c1 802762064 VDWKJIHLBUMODX-UHFFFAOYSA-N 313.357 1.528 10 10 DDCE CC1(C(=O)NCc2cc(Br)ccc2O)COC1 804735874 HHNAGVXCLUZGHB-UHFFFAOYSA-N 300.152 1.807 10 10 DDCE C[S@@](=O)CC1CN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 2166650417 HOVABPGNTHKABN-FKIZINRSSA-N 313.810 1.107 10 10 DDCE CC(C)COc1ccccc1NC[C@@H](O)CN1CCN(C)CC1 819417336 XVOHQOOBHXQAMH-MRXNPFEDSA-N 321.465 1.742 10 10 DDCE COc1ccc(CNC(=O)c2nnn(C(C)(C)C)n2)c(O)c1 846948903 DHUZVBXUJPHTED-UHFFFAOYSA-N 305.338 1.072 10 10 DDCE COC(=O)[C@@H]1CNCCCN1Cc1cc(Cl)cc(C)c1O 843122442 CJHJOIGDRBEJHA-ZDUSSCGKSA-N 312.797 1.691 10 10 DDCE COc1ccc(N2CCN(CCNC(=N)NC3CC3)CC2)cc1 848999245 ISZVJSQTXRKPHM-UHFFFAOYSA-N 317.437 1.094 10 10 DDCE C[C@H](N)[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 842005553 NWJIUZWEAWSPGQ-GZBFAFLISA-N 321.421 1.819 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC[C@H](O)c2ccnn2C)c1 927128464 CTKXBCZJGRSECN-BONVTDFDSA-N 319.361 1.297 10 10 DDCE C[C@H](N[C@H]1CNOC1)c1cc(Br)cc(F)c1O 925869550 MTRUPFUJLMKGBE-XPUUQOCRSA-N 305.147 1.848 10 10 DDCE CCN(C)c1ccc(CN2CCO[C@H](CNC(=O)NC)C2)cc1 859492463 SMFGSQKZZCESDC-MRXNPFEDSA-N 320.437 1.273 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](OC)C3)C2)cc1 854300633 XDARXZUPXBIKMX-XJKSGUPXSA-N 319.405 1.704 10 10 DDCE Nc1ccc(NC(=O)NC[C@H]2CC3(CCOCC3)CO2)cc1 868162173 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301.092 1.369 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1[C@H]2C[C@@H]3CO[C@H]1[C@H]3C2 1329620623 MMLAXPXAMYMNKK-GCFOSQKUSA-N 301.342 1.651 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)CC(C)C)cc1C 1331670490 ZFGIYSBDPJJCGQ-OAHLLOKOSA-N 308.422 1.616 10 10 DDCE C[C@H]1CN(C)C(=O)CN1C(=O)c1ccc(N=NC(N)=O)cc1 1633197807 JBAUFUGBYVEHPV-VIFPVBQESA-N 303.322 1.152 10 10 DDCE Cc1cc(C(=O)N[C@H](C)c2ccccc2O)c(C)n1NC(N)=O 1643742318 YTESSFCRHIZZLI-SNVBAGLBSA-N 316.361 1.924 10 10 DDCE O=C1COc2cc(C(=O)NCc3cc(O)ccc3O)ccc2N1 1644752641 NKYXXHWFLYPNDU-UHFFFAOYSA-N 314.297 1.359 10 10 DDCE CN1C(=O)CS/C1=C\C(=O)NCc1cccc(Cl)c1O 1648609220 UPVMMUVLERYLJX-XGICHPGQSA-N 312.778 1.708 10 10 DDCE CCN1CC[C@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 1597089905 KIUIECOFXDXHGW-CVEARBPZSA-N 318.417 1.994 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cnc(C2OCCO2)s1 1595595585 GTDVTJPMOHOJGZ-UHFFFAOYSA-N 322.342 1.530 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@]2(CCCOC2)C1 1773108629 PKYNRGILQZPTAN-IVZVJUQRSA-N 319.357 1.519 10 10 DDCE NC(=O)[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 162030270 RRAGRBBBKPUDMN-MRXNPFEDSA-N 303.406 1.363 10 10 DDCE CCN(CC)c1ccc(CNCC(=O)NC2=NCCS2)cc1 1857853294 RVEHIWXEQODJSD-UHFFFAOYSA-N 320.462 1.841 10 10 DDCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980376774 ITQJXVROEQUGMG-BYNQJWBRSA-N 324.421 1.898 10 10 DDCE CCNCc1ccc(N2CC[C@H]2C(N)=O)c(Br)c1 2028914394 GASGZCMKYMVRQY-LBPRGKRZSA-N 312.211 1.623 10 10 DDCE NCc1ccc(N2C[C@@H]3C(CO)[C@H]3C2)c(F)c1Br 2030268799 JFPFYLBJOYXHSF-IUCAKERBSA-N 315.186 1.721 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2CCOC[C@@H]2CO)c1O 2193251991 DUGHLIBTCPMYCG-JQWIXIFHSA-N 301.770 1.541 10 10 DDCE O=C1CN(c2ccc(CO)c(Br)c2)[C@H]2CC[C@@H]2N1 2049368929 YOUZWJYMRABQDZ-RYUDHWBXSA-N 311.179 1.409 10 10 DDCE COc1ccc(Br)c(CNC2CN(C)C2)c1O 2214867428 ODSUOLHFVPHBGY-UHFFFAOYSA-N 301.184 1.567 10 10 DDCE COc1ccc(Br)c(CN2C[C@H]3C[C@H]2[C@H]3N)c1O 2220462752 QIRVLCCRHHNLTG-VHRDEZTHSA-N 313.195 1.695 10 10 DDCE CSc1ncc(CNCCCS(=O)(=O)N(C)C)s1 2257016327 XQWNMBWVZWPOQT-UHFFFAOYSA-N 309.482 1.236 10 10 DDCE Cc1ccc(CN(C)c2n[nH]c(=N)o2)c(O)c1Br 2327791415 BXJZCDCBRUGEIF-UHFFFAOYSA-N 313.155 1.895 10 10 DDCE Cc1ccc(CNC2([C@H](O)CO)CC2)c(O)c1Br 2327797959 ANVWLTAAWJUQPI-SNVBAGLBSA-N 316.195 1.439 10 10 DDCE CSc1ncc(CN[C@](C)(C(=O)O)[C@@H]2CCNC2)s1 2349499577 FVCIHMMNLYHHFS-PELKAZGASA-N 301.437 1.407 10 10 DDCE NN1C(=O)/C(=C2\C(O)=Nc3ccc([N+](=O)[O-])cc32)SC1=S 4750865 IOICWINFWPIEBH-BQYQJAHWSA-N 322.327 1.642 10 10 DDCE COC(=O)/C=C/c1ccc(N(CCO)C2CC2)c([N+](=O)[O-])c1 128709898 QTHSMXKGNZHJNW-XVNBXDOJSA-N 306.318 1.742 10 10 DDCE NCc1ccc(N2CCS(=O)(=O)CC2)c(Br)c1 212993665 BIWGJQONLZSMAZ-UHFFFAOYSA-N 319.224 1.143 10 10 DDCE Cc1ccc(O)c(CNCc2cccc(S(N)(=O)=O)c2)c1 71408009 OIOWBDQFJUBWNY-UHFFFAOYSA-N 306.387 1.638 10 10 DDCE CN(C)c1ccc(CNC(=O)NC[C@H](O)C(F)(F)F)cc1 46072380 QIZJDDNRXIUAIO-NSHDSACASA-N 305.300 1.475 10 10 DDCE C[C@@](N)(CC(=O)O)c1cccc(I)c1O 238426168 PVQAPFBHPPFUQZ-SNVBAGLBSA-N 321.114 1.645 10 10 DDCE Cc1ccc(O[C@H]2CCN(C(=O)c3cc(O)nc(O)c3)C2)nc1 238882076 PLFCYRVHGMCBLY-LBPRGKRZSA-N 315.329 1.490 10 10 DDCE CCOc1cccc(CN2CCOC[C@@H]2c2ncon2)c1O 369828133 AFEPUPCASRJNGR-GFCCVEGCSA-N 305.334 1.747 10 10 DDCE Cc1ccc(C(=O)N2CCOC[C@H]2CC(F)F)c(O)c1O 286817012 WPVLEIUDHUBYRV-SECBINFHSA-N 301.289 1.902 10 10 DDCE NC(=O)c1c[nH]ccc1=NCc1cc(Br)ccc1O 804827450 SNELWWCZGHSVGM-UHFFFAOYSA-N 322.162 1.683 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](CO)c1cccnc1 813717571 MZQZTYJSTKQRFW-YVARQFDVSA-N 314.341 1.398 10 10 DDCE CSCC(=O)N(CC(=O)O)Cc1cc(Cl)ccc1O 911359802 GZBOENVLYAGIDX-UHFFFAOYSA-N 303.767 1.822 10 10 DDCE C[C@@H](NC(=O)N1CCOC2(CNC2)C1)c1ccc(N(C)C)cc1 841880843 IRGRRJRYHOCBMF-CYBMUJFWSA-N 318.421 1.197 10 10 DDCE FC(F)[C@H]1CNCCN1Cc1ccc(N2CCOCC2)cc1 843124920 PMQMNAHXCBRIKC-OAHLLOKOSA-N 311.376 1.562 10 10 DDCE CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2O)C1 843432737 OSWIKWLVIGHDSJ-CYBMUJFWSA-N 302.296 1.893 10 10 DDCE C[C@@H]1CNCC[C@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 841759743 IBAXRNBBEAHKJV-BXUZGUMPSA-N 308.401 1.689 10 10 DDCE COc1cccc([C@@H](C)N[C@@H]2CCc3nnn(C)c3C2)c1O 927145439 XHKIXSCGINZIBL-GHMZBOCLSA-N 302.378 1.737 10 10 DDCE COc1ccc(O)c([C@H](C)NS(=O)(=O)[C@@H]2CCCNC2)c1 923615410 KOZXQNKNMLUYRF-CMPLNLGQSA-N 314.407 1.133 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2C[C@@H]3COC[C@@H]3O2)c1 926950298 UBRXXWPUFMBDIY-VSBTWAGUSA-N 321.373 1.633 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CCO[C@@H](C(F)F)CC2)cc1 868293399 NCRWDOLQHRJZEC-LLVKDONJSA-N 313.304 1.090 10 10 DDCE COc1cccc(O)c1CN1CCN(Cc2nccn2C)CC1 769335478 XZFTWJBAWDUVGK-UHFFFAOYSA-N 316.405 1.452 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NCC1(N)CCOCC1 861669448 SOSSXQATFXBPCD-UHFFFAOYSA-N 321.421 1.822 10 10 DDCE Cc1ccc(C(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)c(O)c1O 870789311 XCCVATIHCYRSBY-WCBMZHEXSA-N 319.279 1.649 10 10 DDCE Cc1nc(N[C@@H](C)Cc2ccc(O)c(O)c2)nc(N(C)C)n1 782041715 JLMYQQAYNAFEKD-VIFPVBQESA-N 303.366 1.700 10 10 DDCE CN(C)[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C12CCC2 898833900 ZZNFGCUQEGWRLF-RYUDHWBXSA-N 308.353 1.840 10 10 DDCE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)c1cc(O)cs1)C2 795970948 ULJYJZFLMQXRKB-LKFCYVNXSA-N 311.359 1.105 10 10 DDCE CC[C@H]1CN([C@H](CC)C(=O)NCc2c(O)cccc2O)CCO1 1178912710 WYUXVOQCSDTFBV-GXTWGEPZSA-N 322.405 1.603 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)N2CC[C@@]3(C2)CC3(F)F)cc1 1261524254 UVMJIJYZBUZVNT-HNNXBMFYSA-N 323.343 1.185 10 10 DDCE C[C@@H](N)c1ccc(N2CC(CO)(CO)C2)cc1Br 1914968858 UXYJQEDWGYTCKS-SECBINFHSA-N 315.211 1.260 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2COC[C@H]2N(C)C)c1O 1921749338 IIOKJNKZHCWNQL-VXGBXAGGSA-N 300.786 1.473 10 10 DDCE C[S@](=O)[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1611683752 ZFOOUSUBMVNFNJ-WNDFPBNNSA-N 322.390 1.878 10 10 DDCE COC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCCO1 1634316999 NLDAILWYBVKTDS-CHWSQXEVSA-N 320.349 1.773 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@H]1CC(c2cccnc2)=NO1 1633598865 FBXIYXNLMBCPBP-OAHLLOKOSA-N 313.313 1.302 10 10 DDCE CC(=O)C(=O)[C@@H](O)c1cccc(I)c1 1929137703 TZGODNSEZBCPOR-JTQLQIEISA-N 304.083 1.483 10 10 DDCE NC(=O)c1nccnc1NCc1cccc(Br)c1O 1642658733 KQPZLDBSPPQSKU-UHFFFAOYSA-N 323.150 1.656 10 10 DDCE C[C@H](NC(=O)c1ccc(-n2cncn2)nc1)c1ccccc1O 1587446954 DKEKNTWIGGEODM-NSHDSACASA-N 309.329 1.859 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)[C@@H](C)ONC(=O)OC(C)(C)C 1887716616 AOKVYCCQWWWKEV-SECBINFHSA-N 301.347 1.990 10 10 DDCE CNC(=O)NCCCNCc1c(O)cccc1Br 1964071418 UNCMUNCECTVCEQ-UHFFFAOYSA-N 316.199 1.563 10 10 DDCE CN1CCN(CCCCN=[N+]=[N-])[C@H](CNC(=O)C(F)(F)F)C1 1982247998 ONVQRANNFWBSGA-SNVBAGLBSA-N 322.335 1.371 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(O)c(O)c2)C1 1982314727 RRTIFJGQGATTEI-XYPYZODXSA-N 322.361 1.883 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(N)cc2)C[C@@H]1CO 1984269683 HLRPIDHELOUTML-DOMZBBRYSA-N 321.421 1.981 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CC(OC(F)F)C3)c(Cl)cc21 398912844 WRMIWSUPSAJXKC-SNVBAGLBSA-N 303.696 1.720 10 10 DDCE COc1ccc(N(CCCN)CCCS(=O)(=O)O)cc1 821865538 CQHUQHZSJUAZSB-UHFFFAOYSA-N 302.396 1.128 10 10 DDCE COc1ccc([C@@H](C2CC2)n2nc(C)c(CN)c2N)c(O)c1 2079969445 CWIAHGJVKNJZLR-OAHLLOKOSA-N 302.378 1.946 10 10 DDCE COc1cc(N)c(N2CCC[C@@H](C3OCCO3)C2)cc1OC 2089605871 FGKLXXCPGNBPNQ-LLVKDONJSA-N 308.378 1.875 10 10 DDCE CS(=O)(=O)CCSc1ncc(CNC2CCC2)s1 2223524503 LHLASKSQQJXHSR-UHFFFAOYSA-N 306.478 1.922 10 10 DDCE COC(=O)c1cnc(C)[nH]c1=NCc1cnc(SC)s1 2284500403 SLAQJGARVQEPMN-UHFFFAOYSA-N 310.404 1.784 10 10 DDCE Cc1ccc(CNC(=O)[C@H]2C=CCN2)c(O)c1Br 2327789728 OJEODSFSJPSZFK-SNVBAGLBSA-N 311.179 1.607 10 10 DDCE NCc1cc(F)c(N2C[C@H]3CS(=O)(=O)[C@H]3C2)cc1Cl 2336546591 RIHNOWSDOYAUJH-UFBFGSQYSA-N 304.774 1.171 10 10 DDCE Nc1ccc(OC[C@@H](O)CSc2nnnn2C2CC2)cc1 51328344 IUYWXNAPDHJISR-LLVKDONJSA-N 307.379 1.122 10 10 DDCE CN(C)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1F 58478018 GHANQXWFYLVQIM-UHFFFAOYSA-N 313.332 1.943 10 10 DDCE CN1CCN[C@@H](c2c(O)cccc2NC(=O)OC(C)(C)C)C1=O 1952883505 MPQMOFAFICSBLK-ZDUSSCGKSA-N 321.377 1.842 10 10 DDCE C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1cc([N+](=O)[O-])ccc1O 172437192 MNLRYOAYUNZOSG-UWVGGRQHSA-N 314.363 1.308 10 10 DDCE CN(C)C1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 301674338 GULSESWJDWMKKH-UHFFFAOYSA-N 320.349 1.456 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@]1(C(=O)O)c1cc(O)nc(O)c1 1952930765 NLPMABSWYDWYRC-RTHLEPHNSA-N 310.306 1.112 10 10 DDCE COc1cc(N2CCN(Cc3cc(C)ccc3O)CC2)ncn1 184440671 FDWLWQDLNUJMEL-UHFFFAOYSA-N 314.389 1.821 10 10 DDCE CN1CCc2cc(CNC[C@@H]3CN(C4CC4)CCO3)ccc21 122374341 HYBDQTXKEZLKFJ-QGZVFWFLSA-N 301.434 1.632 10 10 DDCE Cc1n[nH]c(SCCC(=O)NCc2ccc(N(C)C)cc2)n1 73403293 FSTMPMPHFWNCOZ-UHFFFAOYSA-N 319.434 1.978 10 10 DDCE C[C@@]1(C(=O)O)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 320585479 UJIYPNSNXPFYSR-CQSZACIVSA-N 321.289 1.227 10 10 DDCE COc1ccc(CCNC(=O)c2ccc(C)c(O)c2O)cn1 529886386 NPCVLHIBPSZPSF-UHFFFAOYSA-N 302.330 1.782 10 10 DDCE CN(CC(=O)N1CCOC[C@H]1C1CC1)Cc1ccccc1O 372319444 TXBHJGKJAXEPOP-HNNXBMFYSA-N 304.390 1.461 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC(C(C)(C)O)C2)c([N+](=O)[O-])c1 275430033 DSYUKASIUPTVFH-FNORWQNLSA-N 320.345 1.988 10 10 DDCE CC1(C)CN(C(=O)c2cccc(O)c2O)C[C@@]2(CCOC2)O1 279924351 BUGCQWQMVGTKRD-MRXNPFEDSA-N 307.346 1.508 10 10 DDCE CCn1nc2c(cc1=O)CN(Cc1cccc(OC)c1O)CC2 371328612 XIGHDIWGGVYNCK-UHFFFAOYSA-N 315.373 1.536 10 10 DDCE COCCOCc1cc(C(=O)OCC(=O)C(C)=O)ccc1F 808521154 IWVNVQNIMAHTJU-UHFFFAOYSA-N 312.293 1.304 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCNC(=O)CC2)c1 815835246 OBILJIUUJIEXCO-GHMZBOCLSA-N 306.362 1.494 10 10 DDCE COc1ccc(CNS(=O)(=O)C[C@@H](OC)C2CC2)c(O)c1 827539414 DGICIPDNYDSLOA-CQSZACIVSA-N 315.391 1.245 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCC[C@@H]2CC(=O)N(C)C2)c1 903215988 RZLAUURIWSSTPI-NWDGAFQWSA-N 320.389 1.698 10 10 DDCE Fc1cc(CNC2=NCCCN2)cc(F)c1N1CCOCC1 849214705 HSTZKKAQNDVOPP-UHFFFAOYSA-N 310.348 1.240 10 10 DDCE COc1ccc(N2CCN(CCO[C@H]3CCOC3)CC2)cc1F 929824685 XVHXGEDHFCVXPU-HNNXBMFYSA-N 324.396 1.762 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@]3(C)CCOC3)C2)cc1 855223585 ASWZCDSIUDTSSA-CXAGYDPISA-N 304.390 1.817 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cc3cncnc3)C2)cc1 855226558 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MRSJDGUSYLBPEC-ZDUSSCGKSA-N 316.195 1.786 10 10 DDCE O=C(O)[C@@H]1CC[C@H](S(=O)(=O)Nc2ccc(O)c(F)c2)C1 712780035 MNYUZZHXRFEKEH-APPZFPTMSA-N 303.311 1.526 10 10 DDCE O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cc(O)ccc1O 1303223454 QFECFOFSFYMHBM-UHFFFAOYSA-N 302.286 1.865 10 10 DDCE O=C(NCc1cccc(Cl)c1O)c1cccn2c(O)nnc12 1159034380 SYPZWNNDMCQBEW-UHFFFAOYSA-N 318.720 1.724 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)[C@H]2COCCO2)cc1C 1268678749 OSTLXGZYUYYRBP-XJKSGUPXSA-N 322.405 1.013 10 10 DDCE CN(C)C(=O)/C=C\C(=O)NCc1cc(Cl)cc(Cl)c1O 1468670067 WAISYNNWBJPUGK-ARJAWSKDSA-N 317.172 1.960 10 10 DDCE Cc1cc(C(F)F)n(CC(=O)NCc2ccc(O)c(O)c2)n1 1622664205 LIINJQNSTUPLMB-UHFFFAOYSA-N 311.288 1.857 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1cccc2ncnn12 1630532489 LVVRWRHMWASTFX-UHFFFAOYSA-N 319.324 1.913 10 10 DDCE Cc1ccc(C(=O)NC2(c3ncon3)CCCC2)c(O)c1O 1639123067 WSSJKXHLNOSMFK-UHFFFAOYSA-N 303.318 1.989 10 10 DDCE Cc1oc2ncnc(O)c2c1C(=O)NCc1ccc(O)cc1O 1638351884 GXFOFINQUMWSMI-UHFFFAOYSA-N 315.285 1.578 10 10 DDCE C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1O 1643063559 JVHOJCKESHBKIW-MRVPVSSYSA-N 302.290 1.967 10 10 DDCE COc1cccc(CNC(=O)c2cnc(C3CC3)nc2O)c1O 1595800157 QVGXSLYLCKDWSV-UHFFFAOYSA-N 315.329 1.704 10 10 DDCE O=C(NCc1c(O)cccc1O)c1coc2c1C(=O)NCCC2 1597579118 INTSNELOONNIJO-UHFFFAOYSA-N 316.313 1.297 10 10 DDCE CC(C)(C)OC(=O)NOCCNC(=O)c1ccc(O)c(O)c1 1962353466 QAWYSPQPOFEMMY-UHFFFAOYSA-N 312.322 1.284 10 10 DDCE C[C@@H](N)c1ccc2c(c1)CCN2CC(=O)NCC(F)(F)F 162120880 JILGTNMAKDNZHJ-SECBINFHSA-N 301.312 1.747 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@H](F)C2)cc1Br 1944293906 QYIHKQYZOUXUJQ-NZXMKCKXSA-N 303.175 1.988 10 10 DDCE COc1ccc(CN[C@H](C)CS(=O)(=O)N(C)C)cc1C 1965911423 GSLVFBOSUVMHDW-GFCCVEGCSA-N 300.424 1.373 10 10 DDCE OCc1ccc(N2C[C@@H](CO)[C@@H](F)C2)c(Br)c1 2008015832 FKKLISUKVFNSIV-ONGXEEELSA-N 304.159 1.708 10 10 DDCE NCc1ccc(N2C[C@@H](CO)C[C@@H]2CO)cc1Br 2029383349 DRZTXUWPPPXOEW-JOYOIKCWSA-N 315.211 1.087 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3C(CO)[C@H]3C2)cc1Br 2030268148 GDZQWUGUIZEHSK-IUCAKERBSA-N 315.186 1.721 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CCC[S@@](=O)CC3)c(Cl)cc21 321674413 QJUJRULCSSMIID-FKIZINRSSA-N 313.810 1.251 10 10 DDCE C[C@@H](C(F)F)N(C)S(=O)(=O)CCOc1ccc(N)cc1 2178788698 PQSLRGYGRRUUGA-VIFPVBQESA-N 308.350 1.563 10 10 DDCE NCc1cc(F)c(N2C[C@H]3COC[C@@H](C2)[C@H]3O)cc1Cl 2189043783 NJRIDOAZWNTXQC-WDAIWFPHSA-N 300.761 1.381 10 10 DDCE Cc1nc(CNCc2cc(Br)ccc2O)nn1C 2070663207 ZUUBBXSTHQPIBK-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE Nc1ccc(OCC(=O)Nc2ncc(Br)cn2)cc1 2102383205 FLTGFXGNGJHOTD-UHFFFAOYSA-N 323.150 1.839 10 10 DDCE CN(C)c1ccc([C@H](NN)c2ncn(C)c2Br)cc1 2106853421 QYLBEEHOGGZDJQ-NSHDSACASA-N 324.226 1.801 10 10 DDCE Nc1ccc(CCC(=O)N2CCC[C@H](C3OCCO3)C2)cc1 2089607580 WWMLQMLFCMDEGZ-AWEZNQCLSA-N 304.390 1.813 10 10 DDCE Cc1ccc(CNC2([C@@H](O)CO)CC2)c(O)c1Br 2327797958 ANVWLTAAWJUQPI-JTQLQIEISA-N 316.195 1.439 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)c(Cl)c1 2336469981 CRKZFCUIQIJXEK-GMOODISLSA-N 300.811 1.593 10 10 DDCE CC(C)(O)c1ccc(CNC(=O)c2cc(O)c(O)c(O)c2)cc1 170190744 WCWJXHCBYVWLGC-UHFFFAOYSA-N 317.341 1.961 10 10 DDCE Cc1nccc(N2CCN(Cc3cc(F)ccc3O)CC2)n1 184766710 NCIYDVKQKAFLTO-UHFFFAOYSA-N 302.353 1.952 10 10 DDCE CC1(CNCc2ccc(N3CCOCC3)cc2)OCCCO1 192251366 RQIACCRHPUOACU-UHFFFAOYSA-N 306.406 1.766 10 10 DDCE C[C@H](CC(=O)NCc1ccc(O)c(O)c1)N1CCCCC1=O 193596954 REMQKEHSHIQKNK-LLVKDONJSA-N 306.362 1.505 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)cc1 249602920 QUOGFIBMEAGJLS-PXGUKHNGSA-N 315.417 1.663 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@@](F)(CO)C2)c([N+](=O)[O-])c1 801682569 HRAWKWIJQWUBDO-QTLSWZBMSA-N 324.308 1.692 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](O)c1cccc(C(F)(F)F)c1 808549614 JSALLIGSSDYLEG-LLVKDONJSA-N 304.220 1.440 10 10 DDCE CN1C(=O)CC[C@H](NC/C=C/c2ccc(N(C)C)cc2)C1=O 818233848 PJURUABRWALUEP-RGDDUWESSA-N 301.390 1.503 10 10 DDCE CNC(=O)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 817165105 JQZLKKLPEDMHHC-TZMCWYRMSA-N 318.421 1.591 10 10 DDCE COCC1(CN2C(=O)CN(Cc3ccccc3O)C2=O)CC1 846788949 MPIIJRYFSHOPHX-UHFFFAOYSA-N 304.346 1.583 10 10 DDCE COC[C@@H](C)NC(=N)NCc1cc(Br)ccc1O 849027892 PDIYICBTHDUFOO-MRVPVSSYSA-N 316.199 1.804 10 10 DDCE C[C@@H](NC(=O)c1cccnn1)c1ccc(N2CCOCC2)cc1 858785276 FQLYVTOXGFDRTF-CYBMUJFWSA-N 312.373 1.804 10 10 DDCE O=C(NCCN1C[C@@H]2CCCCN2C1=O)c1cccc(O)c1O 856144313 SFHMOWJFGIOLPA-NSHDSACASA-N 319.361 1.118 10 10 DDCE C[C@H](NC(=O)N1CC[C@@]2(O)C[C@H]2C1)c1ccc(N(C)C)cc1 854004197 PGAHAXXFSKQXJW-RVSPLBMKSA-N 303.406 1.980 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)C1(O)CCSCC1 862026975 FUQJEBXWCVARGO-UHFFFAOYSA-N 318.398 1.815 10 10 DDCE O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CO[C@H](C2CC2)C1 863531687 AXJXMKHXFFTMHP-ZFWWWQNUSA-N 316.357 1.724 10 10 DDCE CC1(N2CCOCC2)CCN(C(=O)c2cc(O)cs2)CC1 862958417 FWEZXPOLOZXEJB-UHFFFAOYSA-N 310.419 1.781 10 10 DDCE O=C(NCCN1CCNC1=O)c1cc2cc(O)c(O)cc2s1 1303720343 BZQIASQAWCKDNT-UHFFFAOYSA-N 321.358 1.068 10 10 DDCE COc1ccc(CNCc2nc(C3CC3)n[nH]2)c(O)c1OC 894675373 DSURXMBDTBDAHK-UHFFFAOYSA-N 304.350 1.695 10 10 DDCE Cc1nc(CNC(=O)Cc2ccc(O)c(O)c2)ccc1[C@@H](C)O 1545890977 OVYOBYNJTHIYJI-LLVKDONJSA-N 316.357 1.713 10 10 DDCE COc1ccc(CNC[C@@H](C)CNC(=O)c2cnn[nH]2)cc1C 1715239194 KYGCIUOTJNUQFA-LLVKDONJSA-N 317.393 1.277 10 10 DDCE COc1ccc(CNC(=O)c2ccc3ncn(C)c3n2)c(O)c1 1556353622 CTUUJEUHNWHFFH-UHFFFAOYSA-N 312.329 1.613 10 10 DDCE O=C(Cc1ncc[nH]1)NCc1cccc(Br)c1O 1635840750 WBMUDXNKNUYKSF-UHFFFAOYSA-N 310.151 1.737 10 10 DDCE Cc1ccc(C(=O)Nc2ccc(C(=O)N(C)C)nc2)c(O)c1O 1634148863 NNGALPQYZYHJGE-UHFFFAOYSA-N 315.329 1.755 10 10 DDCE O=C(Cn1ccc(=O)c2ccccc21)NCc1cc(O)ccc1O 1593872973 IQXICRHDHWSZMM-UHFFFAOYSA-N 324.336 1.729 10 10 DDCE CC(C)CNCc1ccc(N2CC(=O)NC(=O)C2)c(Cl)c1 164132698 LYBWYUCHZQWWEN-UHFFFAOYSA-N 309.797 1.548 10 10 DDCE NC[C@@H](c1ccc(O)cc1O)N1CCN(c2ccccc2)CC1 32077801 UYNHPJUDBNCEME-KRWDZBQOSA-N 313.401 1.920 10 10 DDCE CC[C@@H]1CCCCN1C(=O)c1nnn(-c2ccc(N)cc2)n1 1857879192 YCGVJHQEYKUJNU-GFCCVEGCSA-N 300.366 1.649 10 10 DDCE COc1ccc(CNC(=O)c2nnn(-c3ccc(N)cc3)n2)cc1 1857878597 JFMAGMLIWNSPKR-UHFFFAOYSA-N 324.344 1.183 10 10 DDCE CN(C)[C@@H]1COC[C@@H]1NCc1c(O)cccc1Br 1921758536 XLFNCNFAYAMAKF-NWDGAFQWSA-N 315.211 1.573 10 10 DDCE OCc1ccc(N2CC[C@@H](O)[C@@H](F)C2)c(Br)c1 1941014719 CWKVPRCKNHXJJU-CMPLNLGQSA-N 304.159 1.851 10 10 DDCE CS(=O)(=O)[C@@H]1CSCCN1c1ccc(CN)c(F)c1F 235039194 GQUMHNRVAHIADL-SNVBAGLBSA-N 322.402 1.347 10 10 DDCE C[C@@H](O)c1ccc(N2CC([N+](=O)[O-])C2)cc1Br 2016887352 HWTMROXSLIAWBZ-SSDOTTSWSA-N 301.140 1.968 10 10 DDCE Cn1nnc(Br)c1[C@@H](O)[C@@H](N)c1ccccc1O 2031146039 LIVQQYUHSORWOI-WPRPVWTQSA-N 313.155 1.017 10 10 DDCE C[C@@H](CCS(C)(=O)=O)N(C)[C@H](C)c1c(O)cccc1O 2160745393 CHKUKQFVFNBSGB-WDEREUQCSA-N 301.408 1.914 10 10 DDCE CN(C)C[C@]1(O)CCN(c2cc(Cl)c(CN)cc2F)C1 2177384257 XGBYXVBUBLYWMT-CQSZACIVSA-N 301.793 1.441 10 10 DDCE CN[C@H]1C(=O)Nc2cc(N3CC([S@](C)=O)C3)c(Cl)cc21 2171956849 LYEVWUACSSCUBC-ODXCJYRJSA-N 313.810 1.120 10 10 DDCE CS(=O)(=O)[C@H]1CCCN(c2ccc(CN)cc2Cl)C1 381934012 XOAOHAUEXVWHAQ-NSHDSACASA-N 302.827 1.812 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H](C)Cc3ccncc3)c2n1 2062830142 SLKFPSBMVCXJCJ-SNVBAGLBSA-N 311.345 1.499 10 10 DDCE O=C(O)C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1O 2174351504 LSPDDOBTWMXPPG-WRWORJQWSA-N 320.172 1.966 10 10 DDCE COC(=O)Cc1cc(O)n2nc(C(C)C)c(C(=O)OC)c2n1 2080934177 FOULODJLCRUOIX-UHFFFAOYSA-N 307.306 1.060 10 10 DDCE CN(c1ccc(CO)c(Br)c1)[C@@H]1CCCNC1=O 2051436193 URQHRBZBTYZNDY-GFCCVEGCSA-N 313.195 1.656 10 10 DDCE OCc1ccc(N2CCn3ncc(O)c3C2)c(Br)c1 2112046654 IDXIEIKSWWWKNS-UHFFFAOYSA-N 324.178 1.864 10 10 DDCE CC(C)(C)OC(=O)N1CC=C[C@]1(C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 2211747272 LUYNEQIARMYJSU-PSTGCABASA-N 322.405 1.818 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CC[C@H](C(=O)O)O2)s1 2269119862 XLLXDBVNZRZLBG-HTQZYQBOSA-N 302.377 1.113 10 10 DDCE CNCc1ccc(N2CC(S(=O)(=O)C(F)F)C2)c(C)c1 2206708714 VHUNMSHSUBAOBZ-UHFFFAOYSA-N 304.362 1.540 10 10 DDCE Cc1ccc(CN(C)C(=O)[C@H](C)O)c(O)c1Br 2307465017 BKYNKZYHAKNCFD-QMMMGPOBSA-N 302.168 1.802 10 10 DDCE C[C@@H]1Oc2ccc([N+](=O)[O-])nc2N(Cc2ccc(N)cc2)C1=O 75259500 XYJVBZLOEOTTMA-VIFPVBQESA-N 314.301 1.886 10 10 DDCE COC(=O)[C@@H](O)CNC(=O)c1cc(C)n(-c2ccccc2)c1C 135082325 IMDLJDLVCKTEOL-HNNXBMFYSA-N 316.357 1.358 10 10 DDCE C[C@H](N)c1ccc(N(C)C(CO)CO)c(Br)c1 379747381 DDXVRIWJRJPEBG-QMMMGPOBSA-N 303.200 1.258 10 10 DDCE COCCN1CCCN(Cc2cccc(OC)c2O)CC1=O 191703731 BNVRAFGTMQZRSB-UHFFFAOYSA-N 308.378 1.082 10 10 DDCE CN(Cc1ccc(O)cc1)S(=O)(=O)Cc1ccc(N)cc1 40335034 GYMNMDVGWIMJKC-UHFFFAOYSA-N 306.387 1.936 10 10 DDCE N[C@]1(C(=O)O)CCc2ccc(I)c(O)c21 238611466 IRGGQIMJKUQDGO-SNVBAGLBSA-N 319.098 1.182 10 10 DDCE CNC(=O)CCN(C)c1ccc(CN)c(Br)c1F 231841005 CNNRUYWVBBUKFG-UHFFFAOYSA-N 318.190 1.619 10 10 DDCE COc1ccc(N2CCN(C(=O)C(=O)C(C)(C)C)CC2)cc1 265014595 BJKVUMVUNMSLFG-UHFFFAOYSA-N 304.390 1.959 10 10 DDCE CN(CCCCO)CC(=O)N(C)Cc1ccc(N(C)C)cc1 276473860 ZHLBONWXBGOBGN-UHFFFAOYSA-N 307.438 1.415 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@@H](O)C2(CC2)C1 372289811 RUTOZZALQJLLEW-MRXNPFEDSA-N 317.433 1.168 10 10 DDCE C[C@@H](NC(=O)NCc1cnn(C)n1)c1ccc(N(C)C)cc1 805310315 REYNQTASRFFFDM-LLVKDONJSA-N 302.382 1.442 10 10 DDCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1COC(=O)N1 294383078 IGTVHMCMNTZFTA-AWEZNQCLSA-N 305.378 1.598 10 10 DDCE O=C(C1CC1)[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 811502177 MDKBENFJRLLLHD-OAHLLOKOSA-N 305.330 1.301 10 10 DDCE C[C@@H]1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CN1C1CC1 588405174 OHNBIYUWPGJCRP-DBDYLLFXSA-N 302.374 1.852 10 10 DDCE COC(=O)CC[C@@H]1CC[C@H](C(=O)N(C)Cc2ccccc2O)O1 820879469 SWSGAHHBZFGOJC-DZGCQCFKSA-N 321.373 1.851 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCN3CCOC[C@H]3C2)cc1 835048759 XXXOILRPBXIHKK-OAJJDEHYSA-N 301.434 1.782 10 10 DDCE CN(C)c1ccc(/C=C\CNCc2nnnn2CC2CC2)cc1 835046316 ILFZPCVOMMWZTH-ARJAWSKDSA-N 312.421 1.952 10 10 DDCE COCCn1ncc(C(=O)NCc2ccc(O)cc2O)c1C 910956004 IWTUBZQNXJFNMH-UHFFFAOYSA-N 305.334 1.179 10 10 DDCE CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cnccn2)C1 749064669 ABLOLRBOGAEVNU-MWWKQMNYSA-N 322.368 1.584 10 10 DDCE 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DDCE CCCN(c1ccc(N)cc1)S(=O)(=O)[C@H](C)C(=O)OC 63115457 NKGLDACFQMJJOF-SNVBAGLBSA-N 300.380 1.377 10 10 DDCE Cn1nc(Br)c(CNCCc2ccc(N)cc2)n1 2219789702 FGNHPXHMMAWBMP-UHFFFAOYSA-N 310.199 1.492 10 10 DDCE CNCc1ccc(N(C)[C@H](C)CCS(C)(=O)=O)c(F)c1 2160754071 ALPZGOLMRPTADU-LLVKDONJSA-N 302.415 1.805 10 10 DDCE CCCS(=O)(=O)CCN(C)Cc1cc(F)cc(F)c1O 2170533504 QQPAXQZWGFRKDO-UHFFFAOYSA-N 307.362 1.927 10 10 DDCE O=C(O)c1cnn(Cc2ccc(Br)cc2O)c1O 2070580682 OHYNFGSYAYFWQB-UHFFFAOYSA-N 313.107 1.803 10 10 DDCE O=C1N[C@H]2CN(Cc3cccc(Br)c3O)C[C@H]2O1 2056808856 QPQQVHMKKXQSHI-VHSXEESVSA-N 313.151 1.447 10 10 DDCE CNCc1ccc(N2CC(=O)NC[C@@H]2C)c(Br)c1 2060846510 UNEAADTZUMVTRW-VIFPVBQESA-N 312.211 1.493 10 10 DDCE CN(c1ccc(CO)c(Br)c1)[C@@H]1CCC(=O)NC1 2063561251 HMMMYHQVMAVDQU-LLVKDONJSA-N 313.195 1.656 10 10 DDCE COC(=O)[C@H]1CC[C@@H](CNCc2cnc(SC)s2)O1 2269123145 GGPZMOKZXVHKQP-WCBMZHEXSA-N 302.421 1.675 10 10 DDCE COC(C)(C)CS(=O)(=O)CC(=O)Nc1ccc(N)cc1 2280307039 IPVXZMUCJQZRJS-UHFFFAOYSA-N 300.380 1.047 10 10 DDCE CCCOc1nc(=N)[nH]c(=NCc2cnc(SC)s2)[nH]1 2284712194 MLFWHRIAHGMNPO-UHFFFAOYSA-N 312.424 1.285 10 10 DDCE Cc1ccc(CNCCNC(N)=O)c(O)c1Br 2307564976 GUTLFBCMLWJDHS-UHFFFAOYSA-N 302.172 1.221 10 10 DDCE Cc1cc(NS(=O)(=O)C2CC3(C2)OCCO3)cc(C)c1O 2318433717 WMVALLCNBOBVEL-UHFFFAOYSA-N 313.375 1.656 10 10 DDCE Nc1ccc(NC(=O)CCSc2nnnn2C2CC2)cc1 20556944 MEFDASZJBOFGDI-UHFFFAOYSA-N 304.379 1.711 10 10 DDCE COCCN1[C@@H](C)CN(Cc2cc([N+](=O)[O-])ccc2O)C[C@@H]1C 178981578 XJVDEWJWICLIIU-STQMWFEESA-N 323.393 1.841 10 10 DDCE CN(Cc1ccoc1)S(=O)(=O)CCOc1ccc(N)cc1 70490760 QKZMFUPDHFSKTD-UHFFFAOYSA-N 310.375 1.702 10 10 DDCE CCNC(=O)N1CC[C@@H](N[C@@H](C)c2cc(OC)ccc2O)C1 186109643 WYWTXATZNCMLAV-NWDGAFQWSA-N 307.394 1.855 10 10 DDCE COc1cc(NCc2ccc(N3CCOCC3)cc2)nn1C 318954354 ABVVHBMSUNKHTH-UHFFFAOYSA-N 302.378 1.877 10 10 DDCE COC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C 245399277 WDSOLKJIMZZUKD-ZIAGYGMSSA-N 302.374 1.494 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C 808532343 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317.414 1.846 10 10 DDCE COCCCNC(=O)CN(C)Cc1cc2c(cc1O)CCC2 921047743 QQLMFENBVGNCSV-UHFFFAOYSA-N 306.406 1.465 10 10 DDCE COc1ccc(N2CC[C@@H](N[C@@H]3CN4CCC[C@H]3C4)C2)cc1 926679796 GCPBGFNMTZKGPK-HDMKZQKVSA-N 301.434 1.958 10 10 DDCE CCN(C)c1ccc([C@@H](C)NC[C@@]2(OCCO)CCOC2)cc1 850510804 XVIGAQUWRZHGDS-QAPCUYQASA-N 322.449 1.961 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@@H](C)CO)C2)cc1 854296632 FLBDUGIQOJVJJP-QWHCGFSZSA-N 307.394 1.296 10 10 DDCE CCn1ncc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 858368347 JQSVJQRDTXBSIA-GFCCVEGCSA-N 316.409 1.924 10 10 DDCE COCCN(C)CCCNC(=O)N[C@@H](C)c1ccccc1O 868355958 UYPPUSJXJRWEIE-ZDUSSCGKSA-N 309.410 1.721 10 10 DDCE CC(C)N1CC[C@@H](NC(=O)N[C@@H](C)c2ccccc2O)C1=O 868294272 UVAWPAQYCNLLAX-WCQYABFASA-N 305.378 1.762 10 10 DDCE CN(Cc1cc2c(cc1O)OCO2)CC(C)(C)S(C)(=O)=O 763320569 YQZIIIZIUYVZBG-UHFFFAOYSA-N 315.391 1.376 10 10 DDCE COc1cc(C)cc(CN(C)[C@@H](C)CN2CCOCC2)c1O 788379921 XYUISXDVUWVODZ-AWEZNQCLSA-N 308.422 1.862 10 10 DDCE COc1ccc(CNC(=O)C2CN(C3CCOCC3)C2)c(O)c1 897628506 FWCWIQHTRGGNAE-UHFFFAOYSA-N 320.389 1.128 10 10 DDCE CCOC(=O)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 1136122120 LVSRKQFUGVFJGX-UHFFFAOYSA-N 306.322 1.922 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCO[C@]2(CCOC2)C1 1137889081 PGDFUBSZKNUZRH-MLGOLLRUSA-N 307.346 1.095 10 10 DDCE COC(=O)[C@H]1C[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 1148766513 ATIUDWTZIBSPCI-KLPPZKSPSA-N 318.333 1.873 10 10 DDCE Nc1ccc(C(=O)NCc2cccc(O)c2O)cc1[N+](=O)[O-] 1153792571 SWPVGYFXVQHQKC-UHFFFAOYSA-N 303.274 1.518 10 10 DDCE CS(=O)(=O)[C@H]1CCC[C@H](NCc2c(O)cccc2F)C1 896637920 RJTYRVIECMNOOH-QWRGUYRKSA-N 301.383 1.977 10 10 DDCE CO[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@@H]1C 1329471446 VXHUTTJXTRJYOR-XHDPSFHLSA-N 318.373 1.118 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ncc2c(F)cccn12 1471661796 CFAQCRZVFOLSRA-UHFFFAOYSA-N 301.277 1.815 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](NC(N)=O)C(C)(C)C 1633818720 JVVLETPOXKMEJS-RNCFNFMXSA-N 323.393 1.228 10 10 DDCE 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CCS(=O)(=O)N(C)NCc1cccc(Br)c1O 2301559320 FQUQASDYPUIEIS-UHFFFAOYSA-N 323.212 1.441 10 10 DDCE Cc1ccc(CNC(=O)[C@H]2C[C@@H](N)C2)c(O)c1Br 2327585012 SHXTWIBSUCEEJC-AOOOYVTPSA-N 313.195 1.817 10 10 DDCE CSc1ncc(CNC(=O)[C@@]2(O)C[C@H]2C(F)(F)F)s1 2344036628 ZCIMTPSRLRCEQS-HZGVNTEJSA-N 312.338 1.795 10 10 DDCE O=C(O)[C@@]1(Sc2nccs2)C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2351874843 ODITXZIBSAPSTF-AKZRSSKFSA-N 319.429 1.513 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCC(Cn3ccnn3)CC2)c1 179030102 BHACLFBGCXMWRI-UHFFFAOYSA-N 317.349 1.804 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)[C@]12CCC[C@@H]1CS(=O)(=O)C2 2362981547 PFIAIBWSZSUNOZ-PWSUYJOCSA-N 300.384 1.360 10 10 DDCE COC(=O)[C@@H](C)CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 320794234 UKQFIWVUYQUOOS-QMMMGPOBSA-N 323.305 1.171 10 10 DDCE COc1cc(Cl)c(N2C[C@H](CO)OC[C@@H]2C)c(OC)c1 2368303185 PRQBKUNJQPSRGS-GXSJLCMTSA-N 301.770 1.943 10 10 DDCE Nc1ccc(OCCS(=O)(=O)Nc2ccc(F)cn2)cc1 88248197 DSNGQYKKXKYMBC-UHFFFAOYSA-N 311.338 1.624 10 10 DDCE CCNCc1ccc(N2C[C@H](O)[C@H](O)C2)c(Br)c1 233548454 YWIOUZDTUKDUFJ-BETUJISGSA-N 315.211 1.100 10 10 DDCE COc1ccc(C(=O)OCC(=O)C(C)=O)c(OC(F)F)c1 808539551 FPYKUIHKFNYJKJ-UHFFFAOYSA-N 302.229 1.612 10 10 DDCE NC(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 722182702 WLIAHQZNAKMGLE-UHFFFAOYSA-N 304.177 1.895 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CSCN2C(C)=O)c1 728982988 RAUKHUNLVGEXJK-RNCFNFMXSA-N 324.402 1.499 10 10 DDCE CC[C@H](NC[C@@]1(CO)COCCN1C)c1ccc(C)cc1O 903279661 RBHRZXCNPYGDIC-DOTOQJQBSA-N 308.422 1.434 10 10 DDCE CC[C@@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NC 834914840 WWWNHZKAMJGNSY-SWLSCSKDSA-N 323.412 1.838 10 10 DDCE CCON(C)C(=O)CNCc1cccc(Br)c1O 846063071 QMXVXAKRGWRQQL-UHFFFAOYSA-N 317.183 1.654 10 10 DDCE COC[C@@H](CCNC(=O)N(C)Cc1ccc(N(C)C)cc1)OC 852449886 XXWVGFKYYBRWTR-MRXNPFEDSA-N 323.437 1.946 10 10 DDCE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 852916123 XKWRNKWLDLFSPU-CQSZACIVSA-N 304.394 1.026 10 10 DDCE C[C@@H]1C(=O)CCCN1CC(=O)NCc1ccc(N(C)C)cc1 932856467 VJSBTWMWHDNMED-CYBMUJFWSA-N 303.406 1.422 10 10 DDCE O=C(N[C@H]1CCN(C2CCC2)C1=O)c1c(F)ccc(O)c1O 863944600 NERJUSUIMXFADK-JTQLQIEISA-N 308.309 1.120 10 10 DDCE CC(=O)N1C[C@H]2C[C@H]1CN2c1ccc(CN)c(Br)c1 1877073229 DGKMJEKFFJWYCG-QWHCGFSZSA-N 324.222 1.717 10 10 DDCE NC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)cn1 1159034605 YKCWVAARNXACOT-UHFFFAOYSA-N 305.721 1.470 10 10 DDCE CCC(=O)NC1C(=O)N2c3ccccc3-c3ccccc3N2C1=O 1088697036 AWIDGNLFWYFJMW-UHFFFAOYSA-N 321.336 1.857 10 10 DDCE C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1c(O)cccc1O 1178905972 UMDKBTDQKARZBL-HWPZZCPQSA-N 315.325 1.943 10 10 DDCE CC(C)(C)OC(=O)NCC[C@@H](F)C(=O)N1CC(N=[N+]=[N-])C1 1885561898 XYAZMZVSEAVZGO-SECBINFHSA-N 301.322 1.760 10 10 DDCE C[C@@H](CNC(=O)C(=O)NCCc1ccc(N)cc1)CC(F)F 1327056799 VZEDUUDBJZBJOQ-SNVBAGLBSA-N 313.348 1.335 10 10 DDCE CN1CC2(CN(Cc3ccc(N4CCCC4)cc3)C2)OC1=O 1327583086 FOWTTXBCTHRMFE-UHFFFAOYSA-N 301.390 1.923 10 10 DDCE CCOc1cc(CN(C)CC(=O)O)ccc1N1CCNCC1 212641532 HJKLBKNVPDHMPG-UHFFFAOYSA-N 307.394 1.011 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](CO)[C@H](O)C1 1625064649 BAQRNHXMAKSTBY-QPUJVOFHSA-N 323.370 1.128 10 10 DDCE O=C(NCCn1cnnc1)c1cc2cc(O)c(O)cc2s1 1556669535 JHOCEGJYEWOIHY-UHFFFAOYSA-N 304.331 1.334 10 10 DDCE CC(=O)NC[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 1558919148 CMCHHKGJXFYXAI-JTQLQIEISA-N 310.325 1.225 10 10 DDCE C[C@@H](O)CN(C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1717500419 SMBCPTDFSKZITH-GHMZBOCLSA-N 321.381 1.280 10 10 DDCE COc1ccc(CNC[C@@H](C)CNC(=O)[C@@H](C)OC)cc1C 1714377430 LRQCCIIHFSOSSY-TZMCWYRMSA-N 308.422 1.880 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](C(=O)OC)O1 1622319295 DAKFHXGTFXGHIH-CABCVRRESA-N 321.373 1.851 10 10 DDCE CN(C)c1ccc(CNC(=O)c2ccnc(CO)c2)cc1F 1625951608 IRZNFKUQNKLYMT-UHFFFAOYSA-N 303.337 1.709 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCN(CC(F)(F)F)C1 1631508470 BNOCVTPAWQWFRR-SNVBAGLBSA-N 318.295 1.393 10 10 DDCE Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)n1NC(N)=O 1631434763 VTXKQMRYJCDWKS-UHFFFAOYSA-N 318.333 1.068 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@H]1C[C@@H]1CCCO1 1598215035 KDEYNHBTLIRYIJ-KGLIPLIRSA-N 321.373 1.437 10 10 DDCE COC[C@@](C)(CO)CNCc1ccc(Br)cc1O 1926947702 MGJAPFLTDIALPC-CYBMUJFWSA-N 318.211 1.889 10 10 DDCE CO[C@@H](CCO)CNCc1c(O)cccc1Br 1972507011 BEIROKSDVONHHF-VIFPVBQESA-N 304.184 1.642 10 10 DDCE C[C@H](O)c1ccc(N(C)CCN(C)S(C)(=O)=O)c(Cl)c1 2146927025 NAQFEWBWFAKWMN-JTQLQIEISA-N 320.842 1.721 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980371966 XXGIQRYCMAAFRK-ZXPJVPCYSA-N 322.405 1.507 10 10 DDCE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1985099064 GMXOJAYUXWOSRA-MRVPVSSYSA-N 321.341 1.703 10 10 DDCE CN(c1ccc(CN)c(Br)c1)[C@H]1C[C@@H](C(N)=O)C1 703495952 LHYSMVJCFJQTRU-JGZJWPJOSA-N 312.211 1.608 10 10 DDCE CNC(=O)CN(C)c1ccc([C@@H](C)N)c(Br)c1 723175313 HHCZIBBQWULUET-MRVPVSSYSA-N 300.200 1.651 10 10 DDCE C[C@@H](NS(=O)(=O)CCC(F)(F)CO)c1ccccc1O 2192630655 ZGDKVNSQGPXTTK-SECBINFHSA-N 309.334 1.390 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2C[C@]3(C(=O)O)C[C@@H]23)s1 2284506566 GXIDQIHVNBJAPW-JOAULVNJSA-N 313.404 1.527 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3OCC[C@@]3(CO)C2)cc1Cl 2296390892 FMCQUQDJBDFRJL-KBPBESRZSA-N 300.761 1.525 10 10 DDCE Cc1ccc(CN(C)C[C@H](O)CCN)c(O)c1Br 2327596839 PKCBSMOKHBPDSD-LLVKDONJSA-N 317.227 1.605 10 10 DDCE COc1cc(CO)cc([C@H](N)CNC(=O)OC(C)(C)C)c1O 309624312 CAYYENJFARLEIP-LLVKDONJSA-N 312.366 1.418 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@H](N(C)C)C2)cc1F 170835297 MAHGXTJDTAEUAX-ZDUSSCGKSA-N 308.401 1.737 10 10 DDCE COc1ccnc(N2CCN(Cc3cc(C)ccc3O)CC2)n1 129600695 YQHLZQAHOCKPKL-UHFFFAOYSA-N 314.389 1.821 10 10 DDCE CC[C@H](CO)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 180872812 QNBRBTAEQHKRAC-YVARQFDVSA-N 320.389 1.026 10 10 DDCE CC(C)S(=O)(=O)NC1CN(c2ccc(CO)c(Cl)c2)C1 2165627904 GAUFCCWFHAYDIR-UHFFFAOYSA-N 318.826 1.349 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(=O)n1C 808092822 AHSUDQCCGMZGCG-UHFFFAOYSA-N 307.346 1.507 10 10 DDCE C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)c2ncnn21 820000713 LNYXSTNZOFWIPN-ZYHUDNBSSA-N 301.350 1.831 10 10 DDCE O=C(NCc1ccccc1O)c1coc2c1C(=O)NCCC2 907056108 KQZWXKKMGXPDRG-UHFFFAOYSA-N 300.314 1.591 10 10 DDCE Cc1cc(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)c(C)n1-c1ccccn1 846439136 HQOAYQZATMSTPQ-BETUJISGSA-N 312.373 1.483 10 10 DDCE Nc1ccc(NC(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 841300560 TYOBMJRHEHQKTN-MRXNPFEDSA-N 318.421 1.987 10 10 DDCE Cc1cc(Cl)cc([C@H](C)NC[C@@H](O)CS(C)(=O)=O)c1O 927028975 YKEQHJPUAMSDDF-GXSJLCMTSA-N 321.826 1.410 10 10 DDCE COC(=O)CCNC(=O)CCN[C@H]1CCc2cccc(O)c21 858541463 KSFIYNJNCHFRCL-LBPRGKRZSA-N 306.362 1.039 10 10 DDCE Cc1ccc([C@H](C)NCCCN2CCCS2(=O)=O)c(O)c1 756689976 WKISWMQGEIFLSQ-ZDUSSCGKSA-N 312.435 1.777 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cn1 762274580 IWNBURIHCFFGJD-UHFFFAOYSA-N 303.274 1.374 10 10 DDCE Cc1cc(C)c([C@@H](C)NC[C@@]23COCCN2C(=O)OC3)c(O)c1 866522617 XOEOWLLHUMBVAJ-DYVFJYSZSA-N 320.389 1.881 10 10 DDCE COc1ccc(N2CCC(NCCOCCCN)CC2)cc1 863484809 NAUXBGAJACFFTL-UHFFFAOYSA-N 307.438 1.619 10 10 DDCE CCN(C)c1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)cc1 773755633 UQHJIJPXETWVNK-AWEZNQCLSA-N 311.451 1.266 10 10 DDCE COC(=O)c1c(CN2CC(C)(O)C2)c2cc(F)ccc2n1C 894975449 ABGNOMSXLQBQRM-UHFFFAOYSA-N 306.337 1.671 10 10 DDCE COc1ccc(CNC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)c(O)c1 794387679 JEFVQGPNHUCZPU-YHWZYXNKSA-N 319.357 1.259 10 10 DDCE COC(=O)[C@@H](NCCCNC(=O)c1cccc(O)c1O)C(C)C 1306845339 TVZHURYGUABYBT-ZDUSSCGKSA-N 324.377 1.005 10 10 DDCE CO[C@@H](Cc1ccccc1)C(=O)NCc1cc(O)ccc1O 1303225229 CQWPHZJNKJRFEH-INIZCTEOSA-N 301.342 1.972 10 10 DDCE O=C(Cc1cnn(-c2ccccc2)n1)NCc1c(O)cccc1O 1178911727 OZTULMIOOQFQDI-UHFFFAOYSA-N 324.340 1.537 10 10 DDCE CCOc1ccc(N2CCN(C(=O)c3nc[nH]n3)CC2)cc1 1320393258 BTDLBYDYXPZKEU-UHFFFAOYSA-N 301.350 1.166 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cccc2c1OCCO2 1176748131 KYZZGMJYVQLRLM-UHFFFAOYSA-N 301.298 1.799 10 10 DDCE C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H](C)[C@@H]1C 1332073650 IJLYACHJOUJSFJ-IJLUTSLNSA-N 302.374 1.737 10 10 DDCE CCO[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1331946369 HHSDRTMARBWDDM-CYBMUJFWSA-N 318.373 1.262 10 10 DDCE NC(=O)[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 1616511491 WSVDUXMDVISGEJ-SSDOTTSWSA-N 306.343 1.260 10 10 DDCE Cn1cnc2c(C(=O)NCc3c(O)cccc3F)ccnc21 1471975918 MQNSPFBEFLQLEV-UHFFFAOYSA-N 300.293 1.743 10 10 DDCE CN1CCC[C@@H]1c1cc(C(=O)NCc2ccc(O)c(O)c2)n[nH]1 1622643928 ZWSNIWUIECYZMH-CYBMUJFWSA-N 316.361 1.518 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cc(Br)n[nH]1 1643104196 PQUXTLIJIGBWJB-UHFFFAOYSA-N 312.123 1.513 10 10 DDCE CNC(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 1650738538 ODBYULGYVNMASD-UHFFFAOYSA-N 318.304 1.527 10 10 DDCE COCCN(Cc1ccco1)C(=O)Cc1ccc(O)c(O)c1 1588305795 UMKUTJLBEOPVMX-UHFFFAOYSA-N 305.330 1.909 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@]2(CCCOC2)C1 1773108630 PKYNRGILQZPTAN-MAVJXHJTSA-N 319.357 1.519 10 10 DDCE COCCNCc1ccc(N2CCNC(=O)CC2)c(Cl)c1 164060266 SIHCHGAVHQSGAG-UHFFFAOYSA-N 311.813 1.402 10 10 DDCE C[C@H]1CN(C(=O)CNCc2cc(Cl)ccc2O)C[C@H](C)O1 1857868646 UJQFBHQNIGXMHC-QWRGUYRKSA-N 312.797 1.771 10 10 DDCE CS[C@@H](C)CCNS(=O)(=O)CCOc1ccc(N)cc1 130360483 ADHNQVCEGWIEMF-NSHDSACASA-N 318.464 1.709 10 10 DDCE CC(=O)C(=O)[C@H](Cc1cccc(O)c1)NC(=O)OC(C)(C)C 1951752993 DPJJLJQLFPUNTI-ZDUSSCGKSA-N 307.346 1.986 10 10 DDCE NC1(c2cc(I)ccc2O)CC(O)C1 1952137413 USGWWZSARKFWLH-UHFFFAOYSA-N 305.115 1.306 10 10 DDCE CN1C(=O)CNC[C@@H]1c1cc(NC(=O)OC(C)(C)C)ccc1O 1952343927 JJNPPJZCWMOCRR-GFCCVEGCSA-N 321.377 1.842 10 10 DDCE N[C@@H](c1cc(I)ccc1O)C1(O)CC1 1952418524 MCRBQBSWTBNVPM-VIFPVBQESA-N 305.115 1.522 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O 1974155794 BYHTXVBVBYWHDX-MZUVWLFZSA-N 318.200 1.919 10 10 DDCE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)COc1ccc(N)cc1 1977681385 YDSUACAZOYFRRQ-NSHDSACASA-N 323.393 1.677 10 10 DDCE CN[C@H](CN1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O 1980572051 GBQLYFWKWRLMHM-CQSZACIVSA-N 321.421 1.862 10 10 DDCE COCCNS(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2152908062 WZPPMCRWDLGKIO-UHFFFAOYSA-N 314.285 1.304 10 10 DDCE N[C@@H]1CN(Cc2c(O)cccc2Br)[C@@H]2COC[C@@H]12 2040555059 QKXKYWMYZGSFIQ-MVWJERBFSA-N 313.195 1.313 10 10 DDCE C[S@](=O)CC[S@](=O)CCCC(=O)Nc1ccc(N)cc1 319512807 ZSSSUOHOBHLAQG-VQTJNVASSA-N 316.448 1.115 10 10 DDCE C[C@@H](CCS(C)(=O)=O)N(C)c1c(F)cc(CN)cc1F 2160737406 YCEMDJSASCGGLY-VIFPVBQESA-N 306.378 1.683 10 10 DDCE COc1cc(Cl)cc(CN[C@@H](C(=O)O)C2COC2)c1O 2161178165 QDUONZRKMARVND-LLVKDONJSA-N 301.726 1.243 10 10 DDCE CN1[C@H]2CC[C@H]1C(=O)N(c1ccc(N)cc1Br)C2=O 704603008 PGTVFVMZUWLUMB-QWRGUYRKSA-N 324.178 1.367 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@H]3CCCC(C)(C)O3)c2n1 2065082207 QQGSFWLNBJFQOF-LLVKDONJSA-N 318.377 1.821 10 10 DDCE C[C@H](O)c1ccc(N2CC3(CNS(=O)(=O)C3)C2)cc1Cl 2176156366 YSZJZEDRPITFNH-VIFPVBQESA-N 316.810 1.133 10 10 DDCE CCCN(CCS(C)(=O)=O)c1ccc([C@@H](C)O)c(O)c1 2170165310 VINJWQKYZOBYEM-LLVKDONJSA-N 301.408 1.707 10 10 DDCE COC(=O)NC[C@H]1CCN1c1cc(Cl)c(CN)cc1F 2187294470 RYUZBVNHFWEHJB-SECBINFHSA-N 301.749 1.873 10 10 DDCE NCc1ccc(N2CCO[C@H]3COC[C@@H]32)c(Br)c1 2072515510 XRQVPLRIFSQSEV-STQMWFEESA-N 313.195 1.512 10 10 DDCE CCN[C@@](CSc1nccs1)(C(N)=O)C1(Cl)CC1 2085540817 LSSCDGACKFAAIC-NSHDSACASA-N 305.856 1.840 10 10 DDCE COc1ccc(N2C[C@H](OC)[C@H](OC)[C@H]2CO)cc1Cl 2235226417 QEKMMSZMYZDBHL-KWCYVHTRSA-N 301.770 1.560 10 10 DDCE Cc1cccc(N(C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c1 491478897 NXKMKHSLOHLDAI-CMDGGOBGSA-N 313.357 1.069 10 10 DDCE C[C@H](O)CN1CCN(C(=O)C=Cc2ccc(O)c(O)c2)C[C@@H]1C 2307987809 MLKONWFVADXDAF-STQMWFEESA-N 320.389 1.025 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CO[C@H]3C[C@@H]2C3)s1 2350653558 VBUVGUXWFVDTMB-RGNHYFCHSA-N 300.405 1.587 10 10 DDCE CN1CCO[C@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)C1 104798738 XMBIRZBSOWILFH-CYBMUJFWSA-N 324.400 1.022 10 10 DDCE C[C@@H](C(=O)NC(=O)NC1CCCC1)N(C)Cc1ccccc1O 109769879 BJYWMEUBVSPKLS-LBPRGKRZSA-N 319.405 1.981 10 10 DDCE NCc1cc(F)c(N2CC[C@@H](C(N)=O)C2)cc1Br 310629947 IGTGSLZPKOCXPM-SSDOTTSWSA-N 316.174 1.359 10 10 DDCE COCCNCc1cc(F)c(N2CCOC[C@@H]2C)c(F)c1 62735800 LBTFSVKZIBCXKT-NSHDSACASA-N 300.349 1.926 10 10 DDCE CN1CCCc2cc(CNC(=O)CCCCC(N)=O)ccc21 187426272 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Cc1ccc([C@H](C)NC[C@@]2(CO)COCCN2C)c(O)c1C 903278152 FCWMNXDPERAMSV-WMLDXEAASA-N 308.422 1.353 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](C)CO1 911311626 UKZGPBLMBZVKCK-WFASDCNBSA-N 321.373 1.709 10 10 DDCE CCO[C@H]1[C@@H](C(=O)N(CC(=O)O)Cc2ccccc2O)[C@H]1C 911487207 BWUCJDWGNBMVSO-WKPIXPDZSA-N 307.346 1.476 10 10 DDCE COc1ccc(N2CC[C@H](COC(=O)c3cnn(C)n3)C2)cc1 842875409 LRJJUTRYUZFUFZ-LBPRGKRZSA-N 316.361 1.507 10 10 DDCE COc1ccc(CNS(=O)(=O)[C@@H]2COC(C)(C)C2)c(O)c1 859144493 RYGNVCCPWOVFJU-LBPRGKRZSA-N 315.391 1.388 10 10 DDCE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(O)cs1 757916523 XEEUOPHPNOIBNW-CYBMUJFWSA-N 318.398 1.883 10 10 DDCE O=C(NCC[S@](=O)CC(F)(F)F)NCc1ccccc1O 852458950 NQZFEQYJWPEPSX-NRFANRHFSA-N 324.324 1.502 10 10 DDCE O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1Cc2cccc(O)c2C1 871206624 BWNDXBRIXZSQCO-NEPJUHHUSA-N 317.263 1.581 10 10 DDCE Cc1cc(O)c(CN[C@H]2C(=O)NCC23CCOCC3)cc1Cl 895765966 QGUPGFYJZGFYFP-AWEZNQCLSA-N 324.808 1.739 10 10 DDCE C[C@@H](O)[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 897983684 JSKUXPFBYQDFAX-PRHODGIISA-N 323.370 1.534 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1C[C@]2(CCCO2)[C@H]1C1CC1 1141350223 WKXKCOFZGHROAL-IAGOWNOFSA-N 303.358 1.810 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)[C@H]1CCCOC1 1142203467 OKXJFKVIIAREIV-DRKGASSASA-N 307.346 1.015 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(N)[C@@H]1c1cc(O)nc(O)c1 1959195102 CSLVRUCDKBTMKT-ONENECBXSA-N 307.350 1.502 10 10 DDCE COc1nn(C)cc1CNC(=O)/C=C/c1ccc(O)c(O)c1 1180305991 AQEIPSHAJIWESK-GQCTYLIASA-N 303.318 1.170 10 10 DDCE C[C@@H](CC(=O)NCc1cccc(O)c1O)NC(=O)C1CCCC1 1263894870 YOAZRXAQINZFMT-NSHDSACASA-N 320.389 1.799 10 10 DDCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)c2cnon2)cc1C 1275517591 XVMDJPMCYRYJCV-NWDGAFQWSA-N 318.377 1.683 10 10 DDCE CN(C)C(=O)CN(C(=O)/C=C\c1cn(C)cn1)c1ccccc1 1360899538 NTVQDAAXHLBGJD-KTKRTIGZSA-N 312.373 1.555 10 10 DDCE C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)[C@H]1CN(C)CCN1C 1519902351 LXRNJPXAHFGVMN-IUODEOHRSA-N 318.421 1.052 10 10 DDCE COCCn1nc(C)c(NC(=O)Cc2ccc(O)c(O)c2)c1C 1621217548 ZIWDUQADKKLFNJ-UHFFFAOYSA-N 319.361 1.739 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCCOC[C@H]1CCOC1 1629713625 FNKNLSJZXDLJAF-CYBMUJFWSA-N 309.362 1.200 10 10 DDCE CN(C)[C@H]1CCC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 1622753116 HRFKRXDDOFHTFJ-KGLIPLIRSA-N 306.406 1.877 10 10 DDCE COC[C@@H](C)C(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1 1480106869 NTOGGVCHPKCJBE-ZBFHGGJFSA-N 320.433 1.977 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CC[C@@H](c3nn[nH]n3)C2)c1O 1655439574 OHUJZPCHOIRSEP-SECBINFHSA-N 321.768 1.751 10 10 DDCE CC1CCN(C[C@H](C)NC(=O)Cc2ccc(O)c(O)c2)CC1 1584511138 NNJAYGFNSJUNPX-ZDUSSCGKSA-N 306.406 1.877 10 10 DDCE CC[C@@H]1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C[C@@H]1O 1772905175 UVWGYQHVTZXGJJ-BRDDXIKOSA-N 320.345 1.988 10 10 DDCE C[C@H](c1ccccc1O)N(C)C(=O)[C@H]1CCCCS1(=O)=O 168652739 QEEBOWCDGBDFIB-BXUZGUMPSA-N 311.403 1.879 10 10 DDCE Cc1cc(C)n([C@H](C)C(=O)NCCc2ccc(O)c(O)c2)n1 156705984 GQWHXMDXMDIOGA-GFCCVEGCSA-N 303.362 1.831 10 10 DDCE Nc1ccc(CN2CCC[C@H](NC(=O)C(F)(F)F)C2)cc1 586066680 VQAAFTWWWVVBNK-LBPRGKRZSA-N 301.312 1.912 10 10 DDCE CNCc1ccc(N(C)[C@H]2CCNC2=O)cc1Br 1916825973 LUIFNWQUFDHTFB-LBPRGKRZSA-N 312.211 1.493 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H]1Cc1ccc(O)c(O)c1 1952465710 OZUJAQTXNAIEGD-NWDGAFQWSA-N 308.378 1.977 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)c1cccc(O)c1O 1984415710 RDBJOIISSVNEEI-MWLCHTKSSA-N 322.361 1.741 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)c(Cl)c1 2145071944 IKBQMUTWXAMDAF-PXWWUCIGSA-N 314.838 1.983 10 10 DDCE Cn1cc([C@H](O)[C@@H](N)c2ccccc2O)c(Br)n1 2031155304 VWMGUWVSFPQWNI-QWRGUYRKSA-N 312.167 1.622 10 10 DDCE Cn1nnc(Br)c1C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 403638073 GULNHIXBTQNMRI-ZCFIWIBFSA-N 314.147 1.493 10 10 DDCE CCN(c1ccc(CNC)cc1F)[C@@H](C)CS(C)(=O)=O 2170423217 YIIMVVGGEBMEIL-NSHDSACASA-N 302.415 1.805 10 10 DDCE CC=C[C@@H](O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 2059290518 QIBWZZJKXIJLAB-MRXNPFEDSA-N 322.380 1.340 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@H]3c3ncc[nH]3)c2n1 2063653636 SWIBEYGRGJLLOT-NSHDSACASA-N 312.333 1.444 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)c1cnc(O)s1 2192566771 JRYKSAOPHOAFGG-MRVPVSSYSA-N 314.388 1.936 10 10 DDCE CNc1nc[nH]c(=NCc2ccc(N)cc2)c1Br 2053607435 CBAKHIWHZBFGLO-UHFFFAOYSA-N 308.183 1.897 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CNCC(C)(C)O2)s1 2269085492 GNLMVRLGOJEDJF-SECBINFHSA-N 301.437 1.248 10 10 DDCE CN(C)CC1(O)CN(c2ccc(CO)cc2Br)C1 2320540655 FBCNLTXVRCYUEF-UHFFFAOYSA-N 315.211 1.054 10 10 DDCE Cc1ccc(CN(C)[C@@H]2CCNC2=O)c(O)c1Br 2327800324 IWYXAWCOITXIDO-SNVBAGLBSA-N 313.195 1.783 10 10 DDCE CO[C@@H]1C[C@H](CO)N(c2ccc(CN)cc2Br)C1 311116585 NQCWGZJTXHTQTG-GHMZBOCLSA-N 315.211 1.494 10 10 DDCE NC[C@@H](N)c1cc(Cl)c(Br)c([N+](=O)[O-])c1O 309226389 DJKJTJLILNIUQP-RXMQYKEDSA-N 310.535 1.675 10 10 DDCE CNC(=O)Cc1nc(CN(C)Cc2ccccc2O)cs1 177601970 WIIKLHGROWGBDE-UHFFFAOYSA-N 305.403 1.769 10 10 DDCE Nc1ccc(CCC(=O)NCC(=O)NCc2ccccc2)cc1 302909879 SPYPRKFQGHMFNY-UHFFFAOYSA-N 311.385 1.634 10 10 DDCE COC(=O)/C=C1/SC(NC(=O)c2ccc(C)cc2)=NC1=O 33352778 BBHQYYGYUMKDSG-JXMROGBWSA-N 304.327 1.411 10 10 DDCE CCOC(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3)CC1 39429347 IIIJWAFOJGSZTF-UHFFFAOYSA-N 303.362 1.850 10 10 DDCE C[C@@H](NN(C)S(=O)(=O)C1CCC1)c1c(O)cccc1O 2365328546 FQMCYDYBLDVIDI-SECBINFHSA-N 300.380 1.478 10 10 DDCE CCCCOCCNS(=O)(=O)CCOc1ccc(N)cc1 70490741 YWJBDEMOUGMOSG-UHFFFAOYSA-N 316.423 1.384 10 10 DDCE COc1cc(Cl)c(N2CCOC[C@]2(C)CO)c(OC)c1 2368107330 XAAYTSKVCXKPOK-AWEZNQCLSA-N 301.770 1.945 10 10 DDCE N[C@H](c1cc(Br)cc(F)c1O)C(F)(F)CO 95706643 HZQNESYUXUJSSN-MRVPVSSYSA-N 300.074 1.921 10 10 DDCE Nc1ccc(N(C(=O)N(CCO)CCO)c2ccccc2)cc1 244421836 YTZDWHJYELIERQ-UHFFFAOYSA-N 315.373 1.814 10 10 DDCE CCn1ncc(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)n1 528090029 RPLADHWHPRBNAR-JTQLQIEISA-N 319.365 1.573 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)NCCc2ccc(N)cc2)c1 255332653 YPNKKOFZJRGVPD-DAXSKMNVSA-N 324.384 1.396 10 10 DDCE CCOC(=O)[C@@H](CCOC)NC(=O)c1ccc(C)c(O)c1O 281750034 SWDSFISNMJXIMB-LLVKDONJSA-N 311.334 1.104 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(-c2ccccc2C)c1C 808502175 ZIBAFYPUOQATOD-UHFFFAOYSA-N 300.314 1.804 10 10 DDCE CC1(C)NCC[C@H]1CS(=O)(=O)Nc1ccc(O)c(F)c1 2166374758 ZPOVTELQPPNWPZ-VIFPVBQESA-N 302.371 1.661 10 10 DDCE C[C@@]12COC[C@H]1CN(Cc1ccc(N3CCOCC3)cc1)C2 827283623 QWZKETKUGJKHBI-SJLPKXTDSA-N 302.418 1.992 10 10 DDCE O=C(O)CN1C(=O)/C(=C\c2cnn(CCF)c2)SC1=S 905016164 RHQAJRGZGFKDRW-FPYGCLRLSA-N 315.351 1.138 10 10 DDCE CN(C)c1ccc(CNC(=O)NCCOC2CCOCC2)cc1 913926553 GJURDDPCVSSOHI-UHFFFAOYSA-N 321.421 1.747 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCN(CCO)C[C@@H]2C)c1O 832783149 NZGNEWMLDBILBW-NSHDSACASA-N 310.369 1.232 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)[C@@H]2CCO[C@H](C)C2)c1 849376080 KNPSCIUHGDTVQV-ZWNOBZJWSA-N 315.391 1.388 10 10 DDCE COC(=O)CC1CC(NC(=O)NCc2cc(OC)ccc2O)C1 918745665 QOOMEACIAPGFGO-UHFFFAOYSA-N 322.361 1.542 10 10 DDCE Cc1cc(CS(=O)(=O)NCc2cc(Cl)ccc2O)no1 845997427 ABPDDTCQYXWNOL-UHFFFAOYSA-N 316.766 1.962 10 10 DDCE COc1ccc(CNC(=O)NCCc2cc(C)n(C)n2)c(O)c1 926384875 PZMHGGSDFUJNLZ-UHFFFAOYSA-N 318.377 1.485 10 10 DDCE Oc1c(Cl)cccc1CN1CCN(c2nccnn2)CC1 862443422 OYJGVRBQPZGUMX-UHFFFAOYSA-N 305.769 1.553 10 10 DDCE C[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)[C@@H](C)O1 864984016 CSJAXZHPLNOPAU-CPUCHLNUSA-N 318.417 1.953 10 10 DDCE Nc1ccc(CCNC(=O)N[C@@H]2CCN(C3CCC3)C2=O)cc1 861640047 IKSGSRNBMXWHJD-OAHLLOKOSA-N 316.405 1.264 10 10 DDCE CCN1CCN(CC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 775411128 OTUOHDVICKZQLA-HNNXBMFYSA-N 318.465 1.567 10 10 DDCE C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(N(C)C)cc1 775404508 NKIWAFCSUAGDTP-SNVBAGLBSA-N 318.337 1.130 10 10 DDCE CN1CCOC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 899139068 JGRILTYHNVXXJS-SNVBAGLBSA-N 322.386 1.373 10 10 DDCE COc1ccc(CNC(=O)Nc2cnc(N(C)C)nc2)c(O)c1 797637573 ZZJWUEPQLGAKJK-UHFFFAOYSA-N 317.349 1.579 10 10 DDCE COC(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 1137301789 LEBBRXHULJMPGA-MRXNPFEDSA-N 321.373 1.878 10 10 DDCE CN(CCCCN=[N+]=[N-])C[C@@H](O)CNC(=O)OC(C)(C)C 1957244518 QIQZXEOMJMVYDH-NSHDSACASA-N 301.391 1.894 10 10 DDCE NC(=O)c1cnc(C(=O)NCc2c(O)cccc2F)c(Cl)c1 1156170086 GCWJCMYSEYQWOG-UHFFFAOYSA-N 323.711 1.609 10 10 DDCE CC(C)(C)OC(=O)NCC1(NCc2ccc(O)cc2O)COC1 705692030 LYPJDVHNXLVVNF-UHFFFAOYSA-N 324.377 1.481 10 10 DDCE CCOCCS(=O)(=O)N(Cc1ccc(N)cc1)C(C)C 63153448 PYKVVNOURGHREE-UHFFFAOYSA-N 300.424 1.846 10 10 DDCE CN(Cc1ccc(F)c(F)c1O)CC(C)(C)S(C)(=O)=O 713911535 JLACIMIDYBKVPK-UHFFFAOYSA-N 307.362 1.925 10 10 DDCE C[C@H]1CN(S(=O)(=O)Nc2ccc(O)cc2F)C[C@@H](C)O1 184619648 AMKDUIJAMCQUDW-DTORHVGOSA-N 304.343 1.297 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCC(=O)N2CCCCC2)cc1 1443264488 XNZORLDEFRMFPJ-UHFFFAOYSA-N 317.349 1.591 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1ccc([N+](=O)[O-])cc1 1543358645 LJHZWLKCRGQVBR-UHFFFAOYSA-N 302.286 1.865 10 10 DDCE C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1n1ccnc1 1630404907 YIRMFHFPFCLOJU-JSGCOSHPSA-N 315.373 1.947 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cccc(Cn2cncn2)c1 1630273476 PLKKHYWFYKZECF-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE COC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCCO1 1634317002 NLDAILWYBVKTDS-STQMWFEESA-N 320.349 1.773 10 10 DDCE COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C)C1 1645146654 FMCKXMWPGFETGZ-ZYHUDNBSSA-N 307.346 1.440 10 10 DDCE CN(C[C@H](O)c1cccnc1)C(=O)Cc1ccc(O)c(O)c1 1653448136 ZMLMLQFMEUYQTF-HNNXBMFYSA-N 302.330 1.227 10 10 DDCE CN(C)c1ccc(C(=O)NCc2cccc(O)c2O)cc1C=O 1651175692 IYBMKMGZEFDJFS-UHFFFAOYSA-N 314.341 1.906 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cn(Cc2ccccc2)nn1 1593739700 TWDZXFQOXSKKHK-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE CCN(CC)c1ccc([C@@H](CN)N2CCN(CCO)CC2)cc1 32073238 UMTHKBBTILVTBV-GOSISDBHSA-N 320.481 1.143 10 10 DDCE Cc1ccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)c(F)c1 1857878708 JQMYWIRZJXHRRK-UHFFFAOYSA-N 312.308 1.944 10 10 DDCE CN(C(=O)COc1ccc(N)cc1)C1CCC2(CC1)OCCO2 2145839917 RJYQLWVEJYWSEL-UHFFFAOYSA-N 320.389 1.792 10 10 DDCE CON(CCC(=O)O)Cc1ccc(Br)cc1O 1996498991 JCIHVSIENGIYSE-UHFFFAOYSA-N 304.140 1.993 10 10 DDCE CNCc1ccc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c(F)c1 400918876 UMEXDLVVSURMTE-QWRGUYRKSA-N 300.399 1.557 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCN1CCS(=O)(=O)N1CCCCC1 2179617276 RWRSRHOTAMTFHY-LBPRGKRZSA-N 301.416 1.577 10 10 DDCE O=C(O)c1cc(O)ccc1NS(=O)(=O)CCC(F)(F)F 2185392500 GJABIUXTFNNGAE-UHFFFAOYSA-N 313.253 1.785 10 10 DDCE CN(C[C@]1(O)CCOC1)c1ccc(CO)cc1Br 2066018690 MZFKCYNSBMDNBB-CYBMUJFWSA-N 316.195 1.529 10 10 DDCE CO[C@@H]1C[C@@H](NCc2c(O)cccc2Br)C[C@H]1O 2067183458 PAXXATQTOOMBAJ-ZEGGKSINSA-N 316.195 1.783 10 10 DDCE CN(C(=O)c1cc(O)nc(O)c1)c1cncc(Br)c1 2104788749 GZNXXNXEAONZDS-UHFFFAOYSA-N 324.134 1.927 10 10 DDCE O=S1(=O)CC[C@@H]2CN(c3ccc(CO)c(Cl)c3)C[C@@H]21 2088785625 ZVQQLZKTEVCTQJ-RNCFNFMXSA-N 301.795 1.456 10 10 DDCE NCc1ccc(N2CC[C@H]3CC(=O)N[C@@H]3C2)cc1Br 2088806398 PAMKMFDTOMLUAP-TVQRCGJNSA-N 324.222 1.623 10 10 DDCE O=S1(=O)CC[C@@H]2CN(Cc3ccc(Cl)cc3O)C[C@@H]21 2090128327 GQJCEKCNPHYUOX-MFKMUULPSA-N 301.795 1.665 10 10 DDCE Cn1nc(Br)c(COc2cc(F)cnc2N)n1 2214379818 FTROZMBITABFPB-UHFFFAOYSA-N 302.107 1.273 10 10 DDCE O=[N+]([O-])c1cc(NS(=O)(=O)c2cncs2)ccc1O 2227886132 QTMFSZHJZIBHPI-UHFFFAOYSA-N 301.305 1.558 10 10 DDCE CSc1ncc(CNC(=O)C[C@@H]2COCC[C@H]2N)s1 2269089285 BAGXPSKJVIRWNO-PSASIEDQSA-N 301.437 1.235 10 10 DDCE CSc1ncc(CNC(=O)N(C)[C@@H](C)CC(=O)O)s1 2269132051 BFCJIXQMQDCQFY-ZETCQYMHSA-N 303.409 1.870 10 10 DDCE C[C@H]1CC[C@@H](S(C)(=O)=O)CN1Cc1cccc(F)c1O 2279354233 PMDSGGQUIWJVAE-CMPLNLGQSA-N 301.383 1.929 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2C[C@@]3(C(=O)O)C[C@@H]23)s1 2284506568 GXIDQIHVNBJAPW-SXMVTHIZSA-N 313.404 1.527 10 10 DDCE Cn1cccc1C=C1C(=O)NC(=O)N(c2ccccc2F)C1=O 2296425916 UGHWCUBMYPEWNP-UHFFFAOYSA-N 313.288 1.831 10 10 DDCE CN(Cc1cc(Br)ccc1O)[C@@H]1CNC[C@@H]1F 2303704274 VGLGPNVXGOTFDR-WDEREUQCSA-N 303.175 1.896 10 10 DDCE COc1ccc(CN2CCN(CC(=O)NC(C)C)CC2)c(O)c1 119604464 XTMFWYVLSLFCBX-UHFFFAOYSA-N 321.421 1.043 10 10 DDCE CCCN(CCC)C(=O)C(=O)N(C(C)=O)c1ccc(N)cc1 170318805 CJDQXJIZCKOLHB-UHFFFAOYSA-N 305.378 1.797 10 10 DDCE CN(c1ccc(CN)cc1F)[C@@H]1CC[C@@H](S(C)(=O)=O)C1 2361666654 IBJJZEZOKAQHCJ-VXGBXAGGSA-N 300.399 1.686 10 10 DDCE CCOc1ccc(O)c(CN2CCN(c3cnn(C)c3)CC2)c1 126120303 BXBSXKOKYGSANU-UHFFFAOYSA-N 316.405 1.847 10 10 DDCE COc1cc(Cl)c(N2CCO[C@@H](CCN)C2)c(OC)c1 2368105268 IARMNORZKFJOIJ-JTQLQIEISA-N 300.786 1.911 10 10 DDCE N[C@H](c1cc(F)cc(Br)c1O)C(F)(F)CO 95706834 WCQVARQSYRHEAP-MRVPVSSYSA-N 300.074 1.921 10 10 DDCE CCS(=O)(=O)N1CCN(c2ccc(OC(C)C)cc2)CC1 243095996 IZGHGJPFXJFFPJ-UHFFFAOYSA-N 312.435 1.946 10 10 DDCE O=C1CC[C@H](NCc2cc([N+](=O)[O-])ccc2O)C2(CCC2)N1 282588023 BZTQQQVSSCVDOU-ZDUSSCGKSA-N 305.334 1.591 10 10 DDCE CN(C)c1ccc(CN2CCC[C@@H]2c2nc(N)n(C)n2)cc1 295153632 GIVPBPWAQHAIPL-CQSZACIVSA-N 300.410 1.800 10 10 DDCE CCc1cc(N2C(=O)CN(Cc3ccccc3O)C2=O)no1 819008438 RMYJSFPZZIKKRT-UHFFFAOYSA-N 301.302 1.911 10 10 DDCE O[C@H](CNc1ccccc1OCC(F)F)CN1CCOCC1 819460092 DNEKYVJLNDNCPJ-GFCCVEGCSA-N 316.348 1.436 10 10 DDCE CC1(C)OCC[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O 819168987 FDOSOFBYEPIXAV-CYBMUJFWSA-N 304.346 1.724 10 10 DDCE COc1cc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccn1 831925571 YXZDSJQCEMTDQU-NSHDSACASA-N 316.357 1.791 10 10 DDCE CN1CCN(c2ccc(CN[C@@H]3C[C@H]4CC[C@H]3O4)cc2)CC1 926854061 LFLYHDIWKFCMBE-KZNAEPCWSA-N 301.434 1.848 10 10 DDCE COC(=O)N[C@@H](CC(C)C)C(=O)NCc1c(O)cccc1F 928705629 KJOAJJLQPLKFRZ-LBPRGKRZSA-N 312.341 1.918 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)n3cccn3)C2)cc1 855231231 UQIPEGIHUPCSPF-UONOGXRCSA-N 314.389 1.848 10 10 DDCE CCn1ccnc(N[C@H]2CCN(c3ccc(OC)cc3)C2)c1=O 853758415 FRRCLKKKXGZWSW-ZDUSSCGKSA-N 314.389 1.963 10 10 DDCE Cc1cc(Br)c(O)c(CN[C@H]2C[C@H](C(N)=O)C2)c1 858246795 GAOXYSSUZRAGNI-CZMCAQCFSA-N 313.195 1.817 10 10 DDCE CCOC(=O)C1=CC[C@@H](NC(=O)NCc2ccccc2O)C1 858792930 URVNYOODILVKGE-CYBMUJFWSA-N 304.346 1.843 10 10 DDCE CC[C@@H]1NCC[C@H]1NC(=O)N[C@H](C)c1cc(OC)ccc1O 861676108 YIGSUBCKUUJJOY-DDTOSNHZSA-N 307.394 1.902 10 10 DDCE COc1cc(O)c(CN2CCN3C(=O)OCC[C@@H]3C2)cc1OC 768466295 XVOGKRHPFZXUGY-GFCCVEGCSA-N 322.361 1.436 10 10 DDCE CNC(=O)CCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 896130466 TUYCKODSENPIPL-UHFFFAOYSA-N 308.359 1.521 10 10 DDCE O=S1(=O)CC[C@@H](NCc2c(O)cccc2Br)C1 706830436 WNLDORFZIUQPKU-MRVPVSSYSA-N 320.208 1.431 10 10 DDCE O=C(O)C1(CNCc2cc3c(cc2O)OCO3)CCOCC1 1345945324 SBOFVZVSDMTWEN-UHFFFAOYSA-N 309.318 1.092 10 10 DDCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C12CC(C1)C2 1348278667 BFYSTNJJRRQLJK-JKGQDXBKSA-N 319.357 1.488 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn2nccc2n1 1447560653 GEXDBOIBSFUSBM-JTQLQIEISA-N 312.329 1.502 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccn(C2CCOCC2)n1 1456310421 AVSQLOKKZDIYAC-UHFFFAOYSA-N 317.345 1.576 10 10 DDCE COc1cccn2ncc(C(=O)NCc3ccc(O)cc3O)c12 1451744888 BIQOCKYWRFYDTK-UHFFFAOYSA-N 313.313 1.684 10 10 DDCE CC1CCN(CCCNC(=O)Cc2ccc(O)c(O)c2)CC1 1463739597 UGPJFLVHARSMTN-UHFFFAOYSA-N 306.406 1.879 10 10 DDCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OC1CCCC1 1545163860 RICLZMICEDIXHT-JTQLQIEISA-N 307.346 1.631 10 10 DDCE Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@@H](C)c1ccccc1O 1557967383 ARSVTPRNDLMTGV-JTQLQIEISA-N 301.346 1.548 10 10 DDCE COCCn1cc(C(=O)NCc2cc(O)ccc2O)c(C)n1 1637126228 PDBRSCGMDBGGRQ-UHFFFAOYSA-N 305.334 1.179 10 10 DDCE C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1n1ccnc1 1630404909 YIRMFHFPFCLOJU-TZMCWYRMSA-N 315.373 1.947 10 10 DDCE Cc1nc(C)c(CC(=O)NCc2cccc(O)c2O)c(O)n1 1651172985 MRLWNJYWVYQTRW-UHFFFAOYSA-N 303.318 1.069 10 10 DDCE Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1963818082 SNYJSWDKMNYWKK-SNVBAGLBSA-N 323.357 1.412 10 10 DDCE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)NCCN=[N+]=[N-] 1965102894 VMPPCXVLNCXELV-UHFFFAOYSA-N 323.357 1.485 10 10 DDCE NN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)SC1=S 16905015 MNAVCNCKEUJBTO-UITAMQMPSA-N 310.356 1.225 10 10 DDCE C[C@H](CO)[C@@H](C)NC(=O)NCCCSc1nccs1 153838879 JNWSODKEXMOWDE-NXEZZACHSA-N 303.453 1.941 10 10 DDCE Cn1cc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)nc1Br 1912191862 XKCPSSRKHWDHCQ-ZETCQYMHSA-N 313.159 1.955 10 10 DDCE CN1[C@H](CN2CCCC[C@@H](CN=[N+]=[N-])C2)CCS1(=O)=O 1912194729 MFHQVOOXHRDWDB-RYUDHWBXSA-N 301.416 1.433 10 10 DDCE CC1(C)[C@H](CNCc2cccc(F)c2O)CCS1(=O)=O 1967858524 SRZHXOIJCFOCAB-NSHDSACASA-N 301.383 1.834 10 10 DDCE CC1([C@H]2CCCCN2CC(=O)Nc2ccc(N)cc2)OCCO1 2145803222 JHDHCSTVSTVWFR-OAHLLOKOSA-N 319.405 1.825 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@@H](c2cc(O)nc(O)c2)C1 1952222998 YUPOAVVEAIYLBC-NXEZZACHSA-N 324.333 1.528 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H]1c1c(O)cc(O)cc1O 1952306210 JGONEHRGJFDKDO-RNCFNFMXSA-N 310.350 1.813 10 10 DDCE CN(C[C@H]1CCS(=O)(=O)C1)c1c(F)cc(CN)cc1F 2148789404 BELFGMZTSODDGQ-SECBINFHSA-N 304.362 1.294 10 10 DDCE C[C@](C[C@H]1CCCS1(=O)=O)(NCCCN=[N+]=[N-])C(=O)O 2156780824 AKHVMRAIDDWPLA-MWLCHTKSSA-N 304.372 1.087 10 10 DDCE C[C@H](O)c1ccc(N2CCS(=O)(=O)C(C)(C)C2)c(F)c1 2170324654 UGIFXTAUYQSICX-JTQLQIEISA-N 301.383 1.892 10 10 DDCE CC(C)(C)S(=O)(=O)C[C@@](C)(O)[C@H](N)c1ccccc1O 2170541254 XSQMWHFWSCUVTQ-TZMCWYRMSA-N 301.408 1.356 10 10 DDCE NCc1ccc(N2CC[C@H](O)[C@H](CO)C2)cc1Br 396847384 CWJJGKOHANNOSH-GWCFXTLKSA-N 315.211 1.087 10 10 DDCE COCCNCc1ccc(N(C)CC[S@@](C)=O)c(F)c1 399111752 WIJXSBGNBDZSSR-HXUWFJFHSA-N 302.415 1.376 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCCC[C@@H]3CCCCO3)c2n1 2063461557 RZAHOTDWBPNVFJ-LBPRGKRZSA-N 318.377 1.822 10 10 DDCE Oc1ccc(Cn2nccc2I)c(O)c1 2069926819 LDFHTTJNIVSDEJ-UHFFFAOYSA-N 316.098 1.947 10 10 DDCE CNCc1ccc(N2CC(=O)NC[C@H]2C)c(Br)c1 2060846509 UNEAADTZUMVTRW-SECBINFHSA-N 312.211 1.493 10 10 DDCE OCc1ccc(N2C[C@@H](O)C[C@H](F)C2)cc1Br 2213903872 MYYWCODWOBLNQH-ONGXEEELSA-N 304.159 1.851 10 10 DDCE Oc1cccc(Br)c1CN1CCOC2(CNC2)C1 2260139302 NBOQHCKTAAFXGR-UHFFFAOYSA-N 313.195 1.329 10 10 DDCE O=S(=O)(CCCNCc1c(O)cccc1F)C(F)(F)F 2286427837 XVTTZQVWUMVDHH-UHFFFAOYSA-N 315.288 1.946 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC[C@@H](N3CCCC3)C2)cc1 62975716 ACQBFCYPEUJZMF-OAHLLOKOSA-N 309.435 1.269 10 10 DDCE CC(C)[C@@H]1SC[C@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 111427039 KBAQWEVASITCLY-PELKAZGASA-N 312.347 1.117 10 10 DDCE COc1cccc(/C=C2/C(=O)NC(=O)N(C(C)(C)C)C2=O)c1O 38184387 AUYDPZPICWBWGP-NTMALXAHSA-N 318.329 1.661 10 10 DDCE COCCNCc1cc(F)c(N(CCO)C(C)C)c(F)c1 62737590 GWTDLAIMIQFLFD-UHFFFAOYSA-N 302.365 1.908 10 10 DDCE CCNC(=O)N1CC[C@H](N[C@H](C)c2cc(OC)ccc2O)C1 186109660 WYWTXATZNCMLAV-NEPJUHHUSA-N 307.394 1.855 10 10 DDCE C[C@H](N)c1ccc(N2CCCNC(=O)C2)cc1Br 235506121 MNBQHZVCKVXRRC-VIFPVBQESA-N 312.211 1.795 10 10 DDCE CNS(=O)(=O)c1cccc(NCc2cccc(O)c2O)c1 41117062 HADMQNSMCKEDMS-UHFFFAOYSA-N 308.359 1.618 10 10 DDCE COCCCCCN(C)S(=O)(=O)Cc1ccc(N)cc1 2368659340 ATVNPMRRPHSPBS-UHFFFAOYSA-N 300.424 1.847 10 10 DDCE Cc1cc(N(C)[C@H]2CCS(=O)(=O)C2)ccc1/C=C\C(=O)O 252432318 AILVHOZAOAWGHN-SDQPKGBYSA-N 309.387 1.716 10 10 DDCE CCOC(=O)c1cnn2c(O)cc(CNC3(C(C)C)CC3)nc12 293040332 QPVQHCYBHDITBX-UHFFFAOYSA-N 318.377 1.890 10 10 DDCE COC[C@@]1(C(=O)NCCCSc2nccs2)CCOC1 825822556 JTJDLJCUYDGOHQ-ZDUSSCGKSA-N 316.448 1.795 10 10 DDCE CCn1nnc(C)c1C(=O)NCc1ccc(N(C)C)cc1C 825873749 OASUXVXNNGZZRY-UHFFFAOYSA-N 301.394 1.911 10 10 DDCE O=C(c1c[nH]nc1[C@H]1CCNC1)N1CCc2cc(F)c(F)cc21 662386552 CMZOSEDIEOMINK-JTQLQIEISA-N 318.327 1.968 10 10 DDCE Cc1cc(CC(=O)NCCn2ncnn2)c(C)n1-c1ccccc1 830145617 BPZCKZSNYNSJHG-UHFFFAOYSA-N 324.388 1.440 10 10 DDCE Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(O)c1O 832831283 HLXXSYFWXNHDES-NHCYSSNCSA-N 304.346 1.132 10 10 DDCE CCOC(=O)c1cnn2c(O)cc(COC(=O)C3(F)CC3)nc12 830765658 UCMAHVIDWNUVRB-UHFFFAOYSA-N 323.280 1.157 10 10 DDCE C[C@H](C(=O)N(CC(=O)O)Cc1ccccc1O)[C@H]1CCCO1 911490247 YMXXLUQQILLNSS-SMDDNHRTSA-N 307.346 1.621 10 10 DDCE Fc1cc(CNCC[C@H]2CCNC2)ccc1N1CCOCC1 841035077 FHALDMISFDMJCB-CQSZACIVSA-N 307.413 1.752 10 10 DDCE CC[C@H](NC(=O)NCCc1ccc(N)cc1)[C@H](O)C(F)F 841955642 IWLRPJCBIQMUPR-RYUDHWBXSA-N 301.337 1.515 10 10 DDCE NC(=O)C1CCN(c2ccc(CNC(=O)CCF)cc2)CC1 924252290 JGRXPOIHNVVQRG-UHFFFAOYSA-N 307.369 1.364 10 10 DDCE Cc1cc(Br)c(O)c(CN[C@]2(CO)CCOC2)c1 757978990 SQKYCBPSRRVPEW-ZDUSSCGKSA-N 316.195 1.704 10 10 DDCE CC(=O)C(=O)COC(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1 859979636 NJXMJLYZCKPMMV-NSHDSACASA-N 311.334 1.301 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 935310800 MRSXXHDQACPXBG-DZBCBXPCSA-N 303.358 1.568 10 10 DDCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)c1cnc[nH]1 864949699 MRDXNRGSRSNXSW-INIZCTEOSA-N 316.405 1.946 10 10 DDCE Nc1ccc(NC(=O)C(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)cc1 868296021 IZSPMIDWKQBVDL-GJZGRUSLSA-N 317.389 1.671 10 10 DDCE COC(=O)c1cc(OCC2(C(=O)OC)CC2)ccc1N(C)C 871794017 LHBFUNWMBWGUOG-UHFFFAOYSA-N 307.346 1.871 10 10 DDCE CC[C@H](CNCc1ccc(N2CCOCC2)cc1)C(=O)OC 895119787 FNXRQLTXPFLUMK-OAHLLOKOSA-N 306.406 1.812 10 10 DDCE Cn1c(O)nc2ccc(C(=O)NCc3ccc(O)cc3O)cc21 1142533460 KYEJNCWTVZYORS-UHFFFAOYSA-N 313.313 1.620 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(CCO)(CCO)CC1 1151604534 NKZKPNGEXPKTPB-UHFFFAOYSA-N 323.389 1.014 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2cnc3cccnn23)c1 1150543606 QUVOUCZMCQJSJN-JTQLQIEISA-N 312.329 1.935 10 10 DDCE CC1(C)C[C@H](NC(=O)c2cccc(O)c2O)CCS1(=O)=O 1304236249 ZDIHGLYWJCJRNC-SECBINFHSA-N 313.375 1.183 10 10 DDCE O=C1NCC[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1160564112 WJZKCXVNMOSIJC-NSHDSACASA-N 321.340 1.471 10 10 DDCE CNCc1ccc(N(C)Cc2ncnn2C)cc1Br 707678054 CQSLJRYDXJZZQW-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE CNCc1ccc(N(C)[C@H]2COC[C@@H]2O)cc1Br 708074466 CRORVBASCABPTN-STQMWFEESA-N 315.211 1.364 10 10 DDCE COc1ccc(CNCCN(CCO)C(=O)C2CC2)cc1C 1325955896 CVIPYASONJYFCY-UHFFFAOYSA-N 306.406 1.324 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCc2nccs2)cc1 70490751 FNFUDWRNZGIYGB-UHFFFAOYSA-N 313.404 1.224 10 10 DDCE C[C@H](O)c1ccc(N2C[C@H](O)C[C@@H]2CO)c(Br)c1 698124748 ABCROPNNOXEYBQ-JMJZKYOTSA-N 316.195 1.434 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CO[C@H]3CCOC3)C2)cc1 1334470896 KUNWSKAHRUDSFS-CJNGLKHVSA-N 320.389 1.196 10 10 DDCE CC(=O)N1CCC[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1448860697 JTVSGHDKMNNCCD-CYBMUJFWSA-N 306.362 1.015 10 10 DDCE Cn1cccc1[C@@H]1COCCN1C(=O)c1cccc(O)c1O 1296209617 JCHQJTRKUTTYKS-ZDUSSCGKSA-N 302.330 1.650 10 10 DDCE Cn1ccc(=O)c(C(=O)Nc2c(Cl)ccc3nonc23)c1 1531533166 FCCGHRFZCGSZAQ-UHFFFAOYSA-N 304.693 1.827 10 10 DDCE COC(=O)c1cc(CNC(=O)Cc2ccc(O)c(O)c2)oc1C 1543748326 WKFQLHUUGMYJSQ-UHFFFAOYSA-N 319.313 1.645 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1[C@H](O)C(F)(F)F 1545998379 OXTNHNFPEXRVKP-ZANVPECISA-N 319.279 1.555 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)C2CCC2)cc1C 1716077925 YHQXXYIFIHJSMK-HNNXBMFYSA-N 306.406 1.370 10 10 DDCE O=C(NC1CCN(C(=O)c2cn[nH]c2)CC1)c1cc(O)cs1 1625501049 JNFRJQPOOKVWOG-UHFFFAOYSA-N 320.374 1.211 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1cnn2ccncc12 1638573439 XGKZWNFTJJPZTI-UHFFFAOYSA-N 319.324 1.913 10 10 DDCE COc1cc(N2CCn3nc(C)nc3C2)c([N+](=O)[O-])cc1OC 1639558448 MZMUPIKNBQULHZ-UHFFFAOYSA-N 319.321 1.532 10 10 DDCE COC(=O)[C@H]1CC12CCN(C(=O)Cc1ccc(O)c(O)c1)CC2 1633832147 GEQOLXUXFUAWAS-GFCCVEGCSA-N 319.357 1.442 10 10 DDCE C[C@H](CNC(=O)OC(C)(C)C)NCc1ccc(O)c(O)c1O 235464103 AJHAPSMFYGIVCX-SECBINFHSA-N 312.366 1.806 10 10 DDCE C[C@H]1CN(S(=O)(=O)Nc2ccc(O)c(F)c2)C[C@@H](C)O1 2145853825 WZGOLMYWPWWPPW-DTORHVGOSA-N 304.343 1.297 10 10 DDCE Oc1cccc(Br)c1CNC[C@@H]1C[C@H](O)CCO1 2036682099 OOEUHCBKZCSBQZ-ZJUUUORDSA-N 316.195 1.784 10 10 DDCE O=C1CC[C@@H](CNCc2c(O)cccc2Br)CN1 2041483427 RQCDGANORCKWOD-VIFPVBQESA-N 313.195 1.771 10 10 DDCE COc1cc(Cl)cc(CNCC[C@@H]2COC[C@@H]2O)c1O 2167623143 YRJVNWBSLXNOEZ-SKDRFNHKSA-N 301.770 1.541 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N[C@H]2CCC[C@H]2F)cc1 2175567197 TZMJVXOJDCELRI-OLZOCXBDSA-N 302.371 1.458 10 10 DDCE CN(CCN(C)S(C)(=O)=O)c1ccc(CO)c(Cl)c1 2090794964 MDBSIJBPGLOEQZ-UHFFFAOYSA-N 306.815 1.160 10 10 DDCE C[C@H](O)C[C@@H]1COCCN1c1cc(Cl)c(CN)cc1F 2185304347 NBFVIYCCIFJNMS-GXSJLCMTSA-N 302.777 1.914 10 10 DDCE C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CCS1 2087436401 VBMONFZVDLTKRO-ZWNOBZJWSA-N 300.449 1.972 10 10 DDCE NCc1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)cc1Cl 2088819099 ALNHWDGYWQIGLS-MFKMUULPSA-N 300.811 1.422 10 10 DDCE CCOC(=O)[C@@H]1C[C@H]1C(=O)NCc1cnc(SC)s1 2269093224 BNPBHCSUDDXSCS-RKDXNWHRSA-N 300.405 1.680 10 10 DDCE CCN=c1nc(C(=O)NCc2cnc(SC)s2)cc[nH]1 2284710407 HKOMWZMFIUOCPA-UHFFFAOYSA-N 309.420 1.439 10 10 DDCE COC(=O)c1ccc2c(c1)CCN2C(=O)/C=C\c1cnccn1 491120624 ROWWEBZXBDOMGQ-HYXAFXHYSA-N 309.325 1.866 10 10 DDCE NC(=O)[C@H]1CCN(C(=O)/C=C/c2cnccn2)c2ccccc21 492285693 ACNYEDYOOGTFLI-GJBLVYBDSA-N 308.341 1.496 10 10 DDCE COc1ccc([N+](=O)[O-])cc1N=NN1CCN(C(C)=O)CC1 2330193437 URIVGMCPTHQNMH-UHFFFAOYSA-N 307.310 1.766 10 10 DDCE CN1CCN(c2ccc(N=NN3CCCNCC3)cc2)CC1 2330217315 PEXXQURCNIVEMI-UHFFFAOYSA-N 302.426 1.732 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CC[C@@H](CN)C2)s1 2345347788 YQSBQBYUPLGYCC-PELKAZGASA-N 301.437 1.537 10 10 DDCE CNC(=O)CC1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 175036896 DJALYLFBHBNYJR-UHFFFAOYSA-N 307.350 1.649 10 10 DDCE COc1cccc(CNC(=O)NCCn2cc(C)cn2)c1O 175041886 MEPAKWPAOIFZHW-UHFFFAOYSA-N 304.350 1.405 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1 121474292 GMQWKKFRZHLABA-WFASDCNBSA-N 321.421 1.929 10 10 DDCE CCNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1Cl 2358206973 OQTCAIQUQYTQTQ-MJBXVCDLSA-N 302.777 1.329 10 10 DDCE CO[C@@H]1[C@H](OC)CN(c2ccc(CN)c(Cl)c2)[C@H]1CF 2366433799 BMLMSKNLJNMOGO-MJBXVCDLSA-N 302.777 1.987 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 229939914 HRXWCLVXCWRQIQ-SMYYYNMVSA-N 306.318 1.742 10 10 DDCE COc1cc(Cl)c(N2CCN(C)[C@@H](CO)C2)c(OC)c1 2368104100 URXQRFFKTWNTHN-SNVBAGLBSA-N 300.786 1.470 10 10 DDCE COC(=O)[C@@H](N)c1cccc(I)c1O 95780811 JOECWGNMTDAXCJ-ZETCQYMHSA-N 307.087 1.170 10 10 DDCE CNCc1ccc(N(C)CCC(=O)NC)cc1Br 234401862 VFEUQZIPUKCJRQ-UHFFFAOYSA-N 314.227 1.741 10 10 DDCE CCN(CC)CCNC(=S)N(C(C)=O)c1ccc(N)cc1 244540266 ZYDPDOBVKPGIGQ-UHFFFAOYSA-N 308.451 1.838 10 10 DDCE COC(=O)[C@@H](CF)NC1CCN(c2ccc(OC)cc2)CC1 809776827 SGUHHVHQGXLWAN-OAHLLOKOSA-N 310.369 1.765 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)[C@H](O)C3CCC3)C2)cc1 819586874 DOJJGJSXTRTIJH-CXAGYDPISA-N 318.417 1.799 10 10 DDCE COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cscn2)c1 827194395 MHHISUDLDYYFMV-MRVPVSSYSA-N 314.388 1.897 10 10 DDCE CCOc1cccc(CN2CCC(N3CC[C@@H](O)C3)CC2)c1O 827700810 XODIEYQNZIKXQC-MRXNPFEDSA-N 320.433 1.822 10 10 DDCE CN(Cc1ccccc1O)C(=O)NCCCc1ncn(C)n1 827708244 ZJKFZZGQZMXJGH-UHFFFAOYSA-N 303.366 1.295 10 10 DDCE C[C@@H](NC(=O)C1CN(C)CCN(C)C1)c1ccc(N(C)C)cc1 907493071 OAOHQTISAWNMOT-CQSZACIVSA-N 318.465 1.423 10 10 DDCE O=C(c1cc(O)cs1)N1CCn2c(CC3CC3)nnc2C1 846657620 CUOZJACCOLWPFV-UHFFFAOYSA-N 304.375 1.654 10 10 DDCE COC[C@@H]1C[C@@H](O)CN1Cc1cc(Br)ccc1O 846048326 ZGFJZZQSCJCJEH-NWDGAFQWSA-N 316.195 1.736 10 10 DDCE CCOc1ccc(O)c(CN2CCCNC[C@@H]2C(=O)OC)c1 843122914 GAIDLWIZRXPDJV-CQSZACIVSA-N 308.378 1.128 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@H]1NC/C=C/c1ccc(N(C)C)cc1 850361987 YFPHKDKUIFAYQE-FZZYSBJUSA-N 324.446 1.167 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CC(F)(F)CN)C2)cc1 852843767 GQCVBKKCYOTTPH-LLVKDONJSA-N 313.348 1.374 10 10 DDCE COc1cccc(O)c1CN1CCC(CO[C@H]2CCNC2)CC1 863652332 WGUYBVWNVKOTRR-HNNXBMFYSA-N 320.433 1.991 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C3CCC2(CO)CC3)cc1 1119669202 GKDCBMSNBSXSHW-UHFFFAOYSA-N 303.406 1.952 10 10 DDCE C[C@H](NC(=O)C1CCCC1)C(=O)N1Cc2cccc(O)c2C1 871201388 VBWJCMIBKMTGJA-NSHDSACASA-N 302.374 1.929 10 10 DDCE COC(=O)[C@@H](C1CC1)N(C)Cc1ccc(N2CCOCC2)cc1 782033131 OMJGUSOFWYUPBY-QGZVFWFLSA-N 318.417 1.907 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)CCC(N)=S 1877528472 FPTZCZBDSWNZOW-VIFPVBQESA-N 302.421 1.391 10 10 DDCE CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(O)cs1 1138214453 GAVZCXTYZYJARK-LBPRGKRZSA-N 304.371 1.541 10 10 DDCE COC(=O)c1c(CN[C@H](C)C(=O)OC)c2cc(F)ccc2n1C 894632865 YVIHCHICXMVSOO-SECBINFHSA-N 322.336 1.755 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H](CC2CC2)C(=O)O)cc1F 797715304 NGCHKZXRZHVDAM-ZDUSSCGKSA-N 323.368 1.944 10 10 DDCE C[C@H](OCc1ccccc1)[C@H](N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043017 JOCRTVNRQMKVKH-PCBIJLKTSA-N 304.390 1.185 10 10 DDCE CCOc1ccc(N2CCN(C[C@](C)(O)C(=O)OC)CC2)cc1 1323705881 CCPSNEJZLVYEFA-KRWDZBQOSA-N 322.405 1.131 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cccc(N)n3)C2)cc1 1328442378 HENZMDQJCTZEPM-GFCCVEGCSA-N 312.373 1.681 10 10 DDCE CN(C)c1ccc([C@H](NN)c2cc(Br)nn2C)cc1 718757253 AKVQNZCBMWLMGT-ZDUSSCGKSA-N 324.226 1.801 10 10 DDCE CCN(C)c1ccc(CN2CCN3CCOC[C@@]3(CO)C2)cc1 1198164633 LFKQCEAEEHCRCK-SFHVURJKSA-N 319.449 1.022 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)cc1 1345681987 ATKABJVQMHNUCM-BTTYYORXSA-N 301.390 1.284 10 10 DDCE COc1ccc(Br)cc1C(=O)C(=O)CC(=O)O 217261392 HDEHXBIRJOKTHV-UHFFFAOYSA-N 301.092 1.684 10 10 DDCE Cc1nc([C@@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)n[nH]1 1295697820 KYNZUWGEEBBBTK-GFCCVEGCSA-N 316.361 1.473 10 10 DDCE Cn1cnc(/C=C/C(=O)N2C[C@H](C(N)=O)Cc3ccccc32)c1 1529941082 CRTBGPSYVMLXJF-KTRBRXNASA-N 310.357 1.124 10 10 DDCE COC(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)nc1 1467400832 PJTWOCJYUAKKEL-UHFFFAOYSA-N 316.313 1.138 10 10 DDCE O=C(/C=C\c1cncc(F)c1)N1CCCc2c(O)ncnc21 1535579986 YNVYSOLPJZWORT-ARJAWSKDSA-N 300.293 1.709 10 10 DDCE O=C(NCc1cccc(Br)c1O)c1cc(O)ncn1 1626821630 CMAYKRRUMDFHMN-UHFFFAOYSA-N 324.134 1.580 10 10 DDCE C[C@H](O)CN(C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1717500423 SMBCPTDFSKZITH-QWRGUYRKSA-N 321.381 1.280 10 10 DDCE COc1cccc(C[C@H](O)C(=O)NCc2cccc(O)c2O)c1 1637046545 RZLQUQOGBLOJJW-HNNXBMFYSA-N 317.341 1.326 10 10 DDCE Cc1cc(O)cc(=O)n1CC(=O)NCc1cc(Cl)ccc1O 1632224436 ZVMGYUVQXZNODS-UHFFFAOYSA-N 322.748 1.538 10 10 DDCE O=C(c1ccc2nc(CO)[nH]c2c1)N1Cc2cccc(O)c2C1 1587928836 TYIWNMCOXMIQCL-UHFFFAOYSA-N 309.325 1.917 10 10 DDCE CCC(=O)N[C@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1680035713 IYKSCBFWQQDXSG-SNVBAGLBSA-N 319.365 1.836 10 10 DDCE O=S1(=O)CCN[C@H](c2cccc(Br)c2O)C1 1952599835 JELNJLNSIUJBSL-VIFPVBQESA-N 306.181 1.214 10 10 DDCE CC(C)(C)OC(=O)N[C@@](C)(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1CC1 1980375817 CMKWSGNBXGMWDF-ILMHXZGMSA-N 324.421 1.945 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCc4ncccc4C3)c2n1 2062137550 ZEBYZZBCTJWIKG-GFCCVEGCSA-N 323.356 1.426 10 10 DDCE O=S(=O)(NCCc1ccc(O)c(O)c1)c1ccns1 2091742140 JDCNIXZIQQYQQJ-UHFFFAOYSA-N 300.361 1.075 10 10 DDCE COC(=O)C1(NCc2c(O)cccc2Br)CC1 2248232516 FFXWRACJROBLLW-UHFFFAOYSA-N 300.152 1.950 10 10 DDCE CSc1ncc(CNC(=O)NC[C@@]2(C(=O)O)C[C@@H]2C)s1 2284543714 IQMLEYNFOFHLJG-MADCSZMMSA-N 315.420 1.775 10 10 DDCE O=C(C=Cc1ccccc1)NCCN1C(=O)CSC1=S 2320656551 ZHFHZMUFZFKRFM-UHFFFAOYSA-N 306.412 1.676 10 10 DDCE CS(=O)(=O)[C@@H]1CCC[C@]1(Sc1nccs1)C(=O)O 2326889043 IXDIRLYWKVKZKN-GMSGAONNSA-N 307.418 1.656 10 10 DDCE Cc1ccc(CN2CC(OCCO)C2)c(O)c1Br 2327622533 YTCOTKAPFRHIFA-UHFFFAOYSA-N 316.195 1.656 10 10 DDCE Nc1ccc(CC(=O)N2[C@H](C3CC3)SC[C@H]2C(=O)O)cc1 111419070 KWTRJPBYCCMDCO-JSGCOSHPSA-N 306.387 1.576 10 10 DDCE Cc1cc(CNS(=O)(=O)CCOc2ccc(N)cc2)on1 70490807 XSNAMWWFTREHAV-UHFFFAOYSA-N 311.363 1.064 10 10 DDCE CN1CCN(NCc2cccc(Br)c2O)CC1 214285141 SUQXTPNSGPNSHH-UHFFFAOYSA-N 300.200 1.407 10 10 DDCE COc1ccc(N2CCN(Cc3ncccn3)CC2)cc1F 192066096 VHUUULOLJJFXIH-UHFFFAOYSA-N 302.353 1.947 10 10 DDCE N[C@H]1CC(C(=O)N2CCc3ccc(Br)cc32)=C[C@@H]1O 2131474166 YNHJLXXAONEKID-AAEUAGOBSA-N 323.190 1.357 10 10 DDCE CC[C@H](CO)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 93740322 AMJCFDLTIDKIKD-CYBMUJFWSA-N 308.378 1.009 10 10 DDCE CC(=O)N(C(=S)N(C)C1CCN(C)CC1)c1ccc(N)cc1 240740918 APZIQOSRNKHWEE-UHFFFAOYSA-N 320.462 1.933 10 10 DDCE Cn1cc(-c2nn(C)cc2C(=O)N2CCCn3nccc32)cn1 445615557 ISZWSCLSWIBLFT-UHFFFAOYSA-N 311.349 1.068 10 10 DDCE Cc1ccc(O)c(N=Nc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c1 263629270 WQIJQQGJBOYGFE-UHFFFAOYSA-N 314.305 1.390 10 10 DDCE Oc1ccc(CCNc2cc(N3CCOCC3)ncn2)cc1O 811810808 DCGHTZOJRDWBBB-UHFFFAOYSA-N 316.361 1.379 10 10 DDCE CNCc1ccc(N2CCNC(=O)C23CC3)cc1Br 2132023762 DOXMAEKXJKBPLD-UHFFFAOYSA-N 324.222 1.637 10 10 DDCE C[C@H](NC(=O)CC[C@@H](C)N)c1ccc(N2CCOCC2)cc1 827726331 WXBBEVZCJFXRLM-KGLIPLIRSA-N 305.422 1.828 10 10 DDCE C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)NC(C)(C)C 588408052 CZNFDJTZTVFDFM-BJPMOSCESA-N 306.362 1.530 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@H](N)C(F)(F)F)ccc21 827913665 FYIQJVDFXWUJFD-LBPRGKRZSA-N 301.312 1.575 10 10 DDCE COC(=O)[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 734687014 BOTXCASDMPREKD-AWEZNQCLSA-N 319.405 1.766 10 10 DDCE CC(C)(O)[C@@H](O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 901175379 KJSGQULXQDFLLB-HIFRSBDPSA-N 323.389 1.032 10 10 DDCE CC(=O)c1cc(F)cc(CN2CC[C@@](O)(C(F)F)C2)c1O 831175565 MNTHWWCWNUWEHL-AWEZNQCLSA-N 303.280 1.936 10 10 DDCE O=C(c1cccc(O)c1O)N1CCO[C@@H](CC(F)(F)F)C1 856356217 NCQAKARZCYKHHV-QMMMGPOBSA-N 305.252 1.891 10 10 DDCE CN(C)CCCN(C)CCNC(=O)/C=C/c1ccc(O)c(O)c1 855414781 MASRNQDVSBEQTD-SOFGYWHQSA-N 321.421 1.111 10 10 DDCE C[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)c2ncnn21 852475514 HPMNHUHJAFQANT-RISCZKNCSA-N 314.393 1.849 10 10 DDCE FCCn1cc(CNCc2ccc(N3CCOCC3)cc2)cn1 921580530 BDOHUFDIHNBRKP-UHFFFAOYSA-N 318.396 1.979 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Nc3cnn(C)c3)C2)cc1 853952533 AADDERLPPAICPP-GFCCVEGCSA-N 315.377 1.829 10 10 DDCE C[C@]1(C(F)F)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 856499577 FTUUWOGPRJOMNY-SJDLMVEWSA-N 313.300 1.994 10 10 DDCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CC12CC2 852387639 OCKCTFSFNLCIIR-INIZCTEOSA-N 315.417 1.999 10 10 DDCE CN(Cc1ccccc1O)C(=O)COCc1ccnc(O)c1 860048101 QSYNCSAQNUHRJS-UHFFFAOYSA-N 302.330 1.668 10 10 DDCE NC(=O)[C@@H]1CCCCN1C(=O)c1cc2cc(O)c(O)cc2s1 1141584083 BUEKIUUPSTWDAE-VIFPVBQESA-N 320.370 1.793 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])c1 1307106009 MAIMJWWDNVKJMW-CBHWHFHUSA-N 320.345 1.988 10 10 DDCE COC(=O)c1coc(CNC(=O)c2ccc(C)c(O)c2O)n1 1300228180 MWONIYHERWSMJP-UHFFFAOYSA-N 306.274 1.111 10 10 DDCE CO[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@H]1C 1329471442 VXHUTTJXTRJYOR-ABAIWWIYSA-N 318.373 1.118 10 10 DDCE Cc1cc2ncc(C(=O)NCc3cc(O)ccc3O)c(C)n2n1 1455358022 ZXJPIVFYCDJDPM-UHFFFAOYSA-N 312.329 1.687 10 10 DDCE CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCc1cc(O)ccc1O 1455357774 UYVWGJOBSLWCFV-CQSZACIVSA-N 320.389 1.751 10 10 DDCE Cc1cc(C)n2ncc(C(=O)NCc3cc(O)ccc3O)c2n1 1455342995 CHQZLBYGDGVGRB-UHFFFAOYSA-N 312.329 1.687 10 10 DDCE CN(C)C(=O)/C=C\C(=O)NCc1ccc(N2CCCC2)cc1 1464077594 ZWHUNQWBTJGPDL-KTKRTIGZSA-N 301.390 1.547 10 10 DDCE CCN1CCOC[C@@H]1C(=O)NCc1c(O)ccc2ccccc12 1472085570 VWZAIIKHMXDWMG-MRXNPFEDSA-N 314.385 1.882 10 10 DDCE COc1cccc(CNC(=O)c2cnc(C(C)=O)s2)c1O 1545684504 ZEEOEXPFAQUMPA-UHFFFAOYSA-N 306.343 1.990 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCN2CCC(O)CC2)cc1 1556641672 HSHLMZRAXAFSES-UHFFFAOYSA-N 319.365 1.036 10 10 DDCE COc1ccc(CN[C@@H](C)CN(C)C(=O)c2cc[nH]n2)cc1C 1774109027 RLVJKNHCVUARME-ZDUSSCGKSA-N 316.405 1.977 10 10 DDCE O=C(Nc1ccc(O)c(C(=O)O)c1)c1cc(O)c(O)c(O)c1 1865876323 CXPSVSIWGUHPPI-UHFFFAOYSA-N 305.242 1.460 10 10 DDCE C[C@@H](NC[C@@H]1CCS(=O)(=O)N1C)c1ccc(F)cc1O 1967490823 RWQDYMHNUFHVCC-KOLCDFICSA-N 302.371 1.216 10 10 DDCE NCc1cc(F)c(N2CCC[C@]23CC[S@](=O)C3)c(F)c1 2158465191 OKPCYRPJSHRRRU-VLIAUNLRSA-N 300.374 1.915 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)[C@@H](C)c1c(O)cccc1O 2170516374 QFHRVRBSQJWSNC-QWRGUYRKSA-N 301.408 1.914 10 10 DDCE Cn1c(C2=C[C@H](O)[C@@H](N)C2)nc2cc(Br)ccc21 2067764450 AORCHSHJKLWSAN-CABZTGNLSA-N 308.179 1.811 10 10 DDCE Cc1nnc2n1CCN(c1ccc(CN)c(Br)c1)C2 2113980365 UQRQGHSHPLFYEU-UHFFFAOYSA-N 322.210 1.828 10 10 DDCE Cc1nn[nH]c1CCNCc1ccc(Br)cc1O 2219260154 LGHIGKAKDQYUTG-UHFFFAOYSA-N 311.183 1.914 10 10 DDCE CSc1ncc(CNC(=O)C(F)(F)[C@@H]2CCNC2)s1 2269093395 CGZXRTYKKZKZPV-SSDOTTSWSA-N 307.391 1.726 10 10 DDCE CC1(C)OCCN(c2cc(Cl)c(CN)cc2F)[C@@H]1CO 2282814253 LMGORESFORRSMZ-CYBMUJFWSA-N 302.777 1.914 10 10 DDCE CO[C@@H]1COCCN(c2ccc(CO)cc2Br)C1 2326692402 FQSCOKPGTRLZDO-NSHDSACASA-N 316.195 1.793 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)Cn1cncn1 115676600 BZABYCCWVQCFHD-CYBMUJFWSA-N 316.409 1.540 10 10 DDCE COC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)Cc1ccc(O)c(O)c1 170045731 WMUMVHBFANZXON-JQWIXIFHSA-N 307.346 1.440 10 10 DDCE Oc1ccc(-n2ncc(I)c2O)cc1O 2070494141 DWHCJSNCSKKPKT-UHFFFAOYSA-N 318.070 1.594 10 10 DDCE CCCS(=O)(=O)N(C)N[C@H](C)c1ccc(OC)cc1O 2365252792 OIPAHHQYBZLJBL-SNVBAGLBSA-N 302.396 1.638 10 10 DDCE CN(C)S(=O)(=O)CCCNCc1ccc(F)c(F)c1O 2367627197 QMKPVTXNSINBEP-UHFFFAOYSA-N 308.350 1.042 10 10 DDCE CCOc1cccc(CN2CCCN(CCOC)C(=O)C2)c1O 191699418 XEWXNVFUAFOFDI-UHFFFAOYSA-N 322.405 1.472 10 10 DDCE CCOc1ccc(O)c(CN2CCS(=O)(=O)CC[C@@H]2C)c1 192056266 DUYVLVGXNLRGAL-LBPRGKRZSA-N 313.419 1.800 10 10 DDCE CC(=O)C(=O)COC(=O)COc1ccccc1C(F)(F)F 808501478 KBPVBSICTLPZKW-UHFFFAOYSA-N 304.220 1.786 10 10 DDCE O=C(C[C@H]1CCCS1(=O)=O)NCc1cc(Cl)ccc1O 824214481 YXCVWTBVSNBDHV-LLVKDONJSA-N 317.794 1.629 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@H]1CO[C@@H](CCC(=O)O)C1 901797803 FMALNDFSNOPUSW-OLZOCXBDSA-N 307.346 1.621 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cn3c(n2)CCC3)cc1F 843538984 POCGTNJIARZLDD-UHFFFAOYSA-N 302.353 1.964 10 10 DDCE C[C@@H](NC(=O)NC[C@@H]1COCCN1C)c1ccc(N(C)C)cc1 858368948 PVKQZXWPKFDMLB-CZUORRHYSA-N 320.437 1.443 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCC[C@@H]3N)C2)cc1 852843560 BAUCUHYCUFHYPD-MAZHCROVSA-N 303.406 1.518 10 10 DDCE CC(C)(CNS(C)(=O)=O)NCc1ccc2c(c1)CCCO2 922636513 PCIDNLVBWGPZSL-UHFFFAOYSA-N 312.435 1.429 10 10 DDCE Cc1ccc(O)c(CNC(=O)C2CN(CC(F)(F)F)C2)c1 862757376 RLWFKAAJNMCVSN-UHFFFAOYSA-N 302.296 1.811 10 10 DDCE COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@@H]2CCC[C@@H]12 863329812 GTNKHIOHDNNOKK-DMDPSCGWSA-N 319.357 1.902 10 10 DDCE CCOc1ccc(O)c(CNC[C@]23COCCN2C(=O)OC3)c1 865769899 YRYBLYWIPPSCIJ-MRXNPFEDSA-N 322.361 1.102 10 10 DDCE O=C1OC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@H]12 862544991 FCPWPOMDBAYIQT-HOCLYGCPSA-N 302.374 1.128 10 10 DDCE O=S1(=O)CCN(c2ccc(CN[C@@H]3CCCOC3)cc2)CC1 765979485 KJIUYLWALCUDNW-OAHLLOKOSA-N 324.446 1.190 10 10 DDCE C[C@@H](NC(=O)N1CCNC(=O)CC1)c1ccc(N(C)C)cc1 776237443 HCROUELFZYFQOU-GFCCVEGCSA-N 304.394 1.345 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2cnnn2C)cc1C 1317236140 QYCNOEWTTBADNC-LBPRGKRZSA-N 317.393 1.040 10 10 DDCE COc1cccc(CNCC(=O)NCc2ccccc2)c1O 77243705 PNGMSEMOUSLSEM-UHFFFAOYSA-N 300.358 1.807 10 10 DDCE CNCc1ccc(N2CCSC[C@H]2S(C)(=O)=O)c(F)c1 90923204 JSZXOIFYSMTVJO-CYBMUJFWSA-N 318.439 1.469 10 10 DDCE COc1cccc(OCC(=O)NCc2cc(O)ccc2O)c1 1471661238 KKZVNWTUJMQYOC-UHFFFAOYSA-N 303.314 1.802 10 10 DDCE Cc1nc2n(n1)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 1621058974 FQWLQGFOCLRJHU-UHFFFAOYSA-N 313.321 1.405 10 10 DDCE C[C@H](C[C@H](O)c1ccco1)NC(=O)Cc1ccc(O)c(O)c1 1622058208 JPZUEPGQZYZXCA-YGRLFVJLSA-N 305.330 1.862 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC12OCCO2 1556157699 HYCNKPJHZUYFHM-DGCLKSJQSA-N 321.373 1.688 10 10 DDCE Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccc(O)cc1O 1626837969 LXDGQCRATVDGFZ-UHFFFAOYSA-N 321.264 1.657 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@H](O)c1cccc([N+](=O)[O-])c1 1639444352 ILWCKKVRCFPIAM-CQSZACIVSA-N 318.285 1.356 10 10 DDCE O=C(CN1CCOCC1=O)NCc1c(O)ccc2ccccc12 1635968452 ARTNOIGXWROAAC-UHFFFAOYSA-N 314.341 1.020 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2nonc2C)cc1C 1569040763 MHWZOLUYICYIRN-LLVKDONJSA-N 318.377 1.603 10 10 DDCE CCC(CC)(CNC(=O)Cc1ccc(O)c(O)c1)C(=O)OC 1632414641 MLWNVAPFCKNPCD-UHFFFAOYSA-N 309.362 1.736 10 10 DDCE C[C@H](CC(=O)NCc1c(O)ccc2ccccc12)NC(N)=O 1645443973 ZTDXARIMWJNQAR-SNVBAGLBSA-N 301.346 1.609 10 10 DDCE O=C(Cc1cccc2nsnc12)NCc1c(O)cccc1O 1652625687 ITYQCSOYZGPNIF-UHFFFAOYSA-N 315.354 1.961 10 10 DDCE Cn1nnc(C(=O)NCc2ccc(O)c(O)c2)c1C(F)(F)F 1595595602 HLGHBGWJTCWBQH-UHFFFAOYSA-N 316.239 1.175 10 10 DDCE CN1C(=O)C(=Cc2ccc(Br)o2)C(=O)NC1=S 2293250278 LIOHISGEJDTXLG-UHFFFAOYSA-N 315.148 1.299 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@H]([C@H](C)O)C3)c(Cl)cc21 167822051 MRYFPHXJYKFVNP-FZNYLWTLSA-N 309.797 1.760 10 10 DDCE COc1ccc(CNC(=O)CCN2C(=O)CSC2=S)cc1 1865765159 SJBHJCSUSLORED-UHFFFAOYSA-N 324.427 1.562 10 10 DDCE CCCS(=O)(=O)N[C@@H](C)C(=O)N1CCC(N=[N+]=[N-])CC1 1912195972 HVXLSLXDTCXLNQ-VIFPVBQESA-N 303.388 1.006 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H]1[C@H](O)[C@@H](N)c1ccccc1O 1920259306 KIOXKHJHQZZTFY-XBFCOCLRSA-N 308.378 1.762 10 10 DDCE CC[C@H](C)S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1 2144155585 RJNYVKXGRUUNKC-JTQLQIEISA-N 320.436 1.907 10 10 DDCE Cc1cccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1O 1985829964 WKXXCHMYUJMVBJ-ZIAGYGMSSA-N 322.405 1.770 10 10 DDCE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1ccc(N)cc1 1993262194 QBJDLADJLXEKLG-MFKMUULPSA-N 323.393 1.506 10 10 DDCE CNCc1cnc(Sc2nnnn2-c2ccccc2)s1 2155312584 DOKKDYSZIXOHOM-UHFFFAOYSA-N 304.404 1.989 10 10 DDCE CC(C)S(=O)(=O)C[C@@H](C)NCCc1ccc(O)c(O)c1 2170502651 FIZGQKZDBFJQHN-LLVKDONJSA-N 301.408 1.442 10 10 DDCE CC(C)(C)S(=O)(=O)C[C@](C)(O)[C@H](N)c1ccccc1O 2170541253 XSQMWHFWSCUVTQ-OCCSQVGLSA-N 301.408 1.356 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)C1 1159462539 RMOVLPIXBMWUQI-MGCOHNPYSA-N 322.361 1.883 10 10 DDCE CC1([C@H]2CCCCN2C(=O)Cc2ccc(N)cc2)OCCO1 2089565898 RTVRULSAUKGPNT-OAHLLOKOSA-N 304.390 1.955 10 10 DDCE CC[C@@H](N[C@H](CO)[C@@H](C)O)c1cc(Br)ccc1O 2053798174 RBSLSAVEYBSJHI-GGZOMVNGSA-N 318.211 1.937 10 10 DDCE CC1([C@@H]2CCCN(C(=O)c3ccc(O)c(O)c3)C2)OCCO1 2089603047 NLSBPVFCOVNUDT-GFCCVEGCSA-N 307.346 1.713 10 10 DDCE C[C@@H](N)c1ccc(N2CC(=O)N[C@H]3CC[C@H]32)c(Br)c1 2112059159 VQTJJTMIZPOVLX-YDEJPDAXSA-N 324.222 1.936 10 10 DDCE Cn1nccc(NCc2cccc(Br)c2O)c1=O 2220049980 YSJCOWBPQSKRNJ-UHFFFAOYSA-N 310.151 1.861 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H](C(=O)O)[C@@H](C)C2)s1 2284500934 SCTVJAPNRLGAFZ-IONNQARKSA-N 315.420 1.727 10 10 DDCE CSc1ncc(CN=c2[nH]c(NN)nc3c2CCC3)s1 2284711933 LFVDULZTEGOGDS-UHFFFAOYSA-N 308.436 1.463 10 10 DDCE CC1=NN(C)C(=O)C1=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2332141390 SKLQIOVYHQCLDB-UHFFFAOYSA-N 303.274 1.597 10 10 DDCE Cc1ccc(CNC(=O)[C@@H]2CCCN2)c(O)c1Br 2327593477 CPUYJULRZRGKOG-JTQLQIEISA-N 313.195 1.831 10 10 DDCE CCc1nc(NN(C)S(=O)(=O)C2CC2)sc1C(=O)O 2339722607 KHYLNRMUNDTPKI-UHFFFAOYSA-N 305.381 1.155 10 10 DDCE CSc1cc(N2CC[C@H](S(C)(=O)=O)C2)ccc1CN 2353853661 GASQTWHJZSOOBM-LBPRGKRZSA-N 300.449 1.491 10 10 DDCE Cc1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c(O)c1O 177687588 WHJORUUIHQJLPF-LBPRGKRZSA-N 305.252 1.546 10 10 DDCE CCc1nc(NN(C)S(=O)(=O)C2CCC2)sc1C(=O)O 2365273990 UWKUWIZGTGMHID-UHFFFAOYSA-N 319.408 1.545 10 10 DDCE Cc1cc2c(n1-c1ccc(S(N)(=O)=O)cc1)CCC[C@@H]2N 41727296 WJTFLNSITVKJDH-AWEZNQCLSA-N 305.403 1.769 10 10 DDCE CCS(=O)(=O)NC1CN(c2ccc([C@@H](C)O)cc2Cl)C1 2165631060 STFJCIUTCMNQRU-SECBINFHSA-N 318.826 1.521 10 10 DDCE CCOC(=O)CCN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 390634407 JNTXXFYRXBCFSY-UHFFFAOYSA-N 323.305 1.315 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@H]2CCc3nnnn3CC2)cc1 817420736 YOZOLDURINFOIX-JZIMQPMSSA-N 312.421 1.747 10 10 DDCE O=C1O[C@H](CNCc2cc([N+](=O)[O-])ccc2O)CN1C1CC1 848577401 FHEXBZXGIHZNRU-GFCCVEGCSA-N 307.306 1.373 10 10 DDCE COc1ccc(CNC(=O)NC[C@H]2C[C@@H](N(C)C)C2)c(O)c1 847411196 CYLMVGUCOIVGIN-BJHJDKERSA-N 307.394 1.540 10 10 DDCE CCOc1ccc(CN[C@H](C(=O)OC)c2ccnn2C)c(O)c1 843429391 CKROIXHKYZAFLP-HNNXBMFYSA-N 319.361 1.528 10 10 DDCE Cc1ccc(S(=O)(=O)NC[C@H](N)c2ccc(N(C)C)cc2)o1 842786092 ZBCVFJIMGGQFPC-AWEZNQCLSA-N 323.418 1.632 10 10 DDCE C[C@H]1CNCC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 841990436 YDCFQNCYLOIWTG-XJKSGUPXSA-N 304.438 1.892 10 10 DDCE CO[C@H](CNC(=O)NCc1c(O)cccc1F)[C@H]1CCOC1 923180023 IIBQLTSLHWLNMV-IINYFYTJSA-N 312.341 1.382 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3[C@H]4CCCO[C@H]43)C2)cc1 855225444 IYZBPDRPIVRUQP-WBQNTZJQSA-N 316.401 1.815 10 10 DDCE CO[C@H](CNC(=O)NCCc1ccc(N)cc1)[C@H]1CCOC1 851662218 CRYNUSGFTUQSGF-DZGCQCFKSA-N 307.394 1.162 10 10 DDCE NCCCOCCNCc1cc(Cl)cc([N+](=O)[O-])c1O 863483828 DZNVQBFEPIJUHQ-UHFFFAOYSA-N 303.746 1.409 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2nn3c(c2C)OCCC3)c1 862754386 CNUMQDBIWAZNCK-UHFFFAOYSA-N 301.346 1.918 10 10 DDCE COC(=O)NCCNCc1ccc(Br)cc1O 691400034 FCJVLTCZQOWKEZ-UHFFFAOYSA-N 303.156 1.600 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2ccc(N)cc2)C1 1959359583 MODUOEYVQSACPF-SMDDNHRTSA-N 307.394 1.909 10 10 DDCE CC/C=C(/C)C(=O)NC[C@@H](CO)NCc1ccc(OC)c(C)c1 1278054738 VVZKDHDYSBNKPJ-DZNGUJDPSA-N 320.433 1.927 10 10 DDCE CSCCS(=O)(=O)N(Cc1ccc(N)cc1)C1CC1 2117403558 VHGKMEKMOAIMKY-UHFFFAOYSA-N 300.449 1.926 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cccc(Cn2ccnn2)c1 1472063382 JOJLLCWSDOUMTB-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1nc[nH]c1C(F)(F)F 1545669247 QYGSHQATZMMIRU-UHFFFAOYSA-N 315.251 1.812 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCCN(C=O)CC2)cc1 1626390029 JYKGNDMDLLGZGA-UHFFFAOYSA-N 303.322 1.153 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2ccon2)cc1C 1569047696 RSHJSHSUYBVRQH-LBPRGKRZSA-N 303.362 1.900 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2cnccn2)cc1C 1493463629 CLZXKAWRCRHOQW-UHFFFAOYSA-N 314.389 1.655 10 10 DDCE COc1ccc(CN[C@@H](CNC(=O)CC(N)=O)C(C)C)cc1C 1568446529 XOHMCBZYALALSY-AWEZNQCLSA-N 321.421 1.109 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1nnc([C@@H]2CCCO2)s1 1643057302 AWFNKUHHDXMZCO-NSHDSACASA-N 321.358 1.982 10 10 DDCE Cc1cc(C)c(O)c(CN2CCC[C@H](NS(C)(=O)=O)C2)c1 164011062 GBZKQQNPTRICBB-AWEZNQCLSA-N 312.435 1.523 10 10 DDCE CC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1865948884 YBERGKSZFNIPMP-UHFFFAOYSA-N 322.320 1.537 10 10 DDCE COc1ccc(C2=NN(CCO)C(=O)/C2=C\c2cccnc2)cc1 12346184 KJKPOHHYPOABFC-WJDWOHSUSA-N 323.352 1.712 10 10 DDCE CC(C)O[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC(N=[N+]=[N-])CC1 1912190616 GPFTXAJYAKSIAC-NWDGAFQWSA-N 302.400 1.352 10 10 DDCE CO[C@@H]1CN(C)C[C@@H]1Nc1c(N)cccc1Br 1946429940 IVKOGNYCXXCAFF-WDEREUQCSA-N 300.200 1.772 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(c2ccc(N)cc2)C1 1977933191 BWKCGCNEGNTJPL-MRXNPFEDSA-N 321.377 1.827 10 10 DDCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)c1cnn(Cc2ccccc2)c1 1994383718 LBJFIZLXFLJVIK-HNNXBMFYSA-N 313.365 1.532 10 10 DDCE O=S1(=O)CC[C@]2(CCCN2c2ccc(CO)cc2Cl)C1 2158454443 OTKSVBFBWHKSIS-CQSZACIVSA-N 315.822 1.990 10 10 DDCE CNC(=O)C(C)(C)NCc1cc(Br)cc(F)c1O 715766279 PTDDFRIRGRNUSP-UHFFFAOYSA-N 319.174 1.908 10 10 DDCE O=C1CC[C@@H]1CS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2178175524 FODFTYACMLJUPN-SSDOTTSWSA-N 300.292 1.021 10 10 DDCE CP1(=O)CCC(NS(=O)(=O)Cc2ccc(N)cc2)CC1 2193546549 YHOLWSRGHZUNIR-UHFFFAOYSA-N 316.363 1.844 10 10 DDCE CC(C)(C)S(=O)(=O)CCNC(=O)c1ccc(O)c(O)c1 2191407328 VMNAVYZQVFETFF-UHFFFAOYSA-N 301.364 1.041 10 10 DDCE Cn1nc(Br)nc1[C@@H](O)CCc1ccc(N)cc1 2052945894 VPTJQNSWRVREFC-JTQLQIEISA-N 311.183 1.826 10 10 DDCE CN(C[C@@]1(O)CCOC1)c1ccc(CO)cc1Br 2066018691 MZFKCYNSBMDNBB-ZDUSSCGKSA-N 316.195 1.529 10 10 DDCE O=S(=O)(C(F)F)C1CN(c2ccc3c(c2)CC[C@@H]3O)C1 2206685603 VOXWWBFSKOLMDJ-LBPRGKRZSA-N 303.330 1.492 10 10 DDCE CN(Cc1c(O)cccc1F)[C@@H]1CC[C@H](S(C)(=O)=O)C1 2361664026 DADIASPTCAHHGF-MNOVXSKESA-N 301.383 1.929 10 10 DDCE CN(C)c1ccc(CNC(=O)Cc2csc(CCN)n2)cc1 71696114 FHPIQFCRGTWYNA-UHFFFAOYSA-N 318.446 1.569 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NCCCN2CCCC2=O)c1 273364837 DVWJPSWYHJCNPU-GFCCVEGCSA-N 320.389 1.842 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@@H](C)Cn2cncn2)c1O 278887903 PBIKNDUIVWTONP-VIFPVBQESA-N 307.310 1.079 10 10 DDCE CCn1nc2c(cc1=O)CN(Cc1cc(F)ccc1O)CC2 374917830 ZQCWCYZCGGKQFZ-UHFFFAOYSA-N 303.337 1.666 10 10 DDCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)NCc5ccc(O)c(O)c5)[C@@H]4[C@@H]3[C@@H]12 800518368 ADQNXCIPWPQEMN-ACNNNDSSSA-N 311.337 1.041 10 10 DDCE CN(C)c1ccc(CNC(=O)NCCCc2ncn(C)n2)cc1 825603623 UQKVYABTURXXGP-UHFFFAOYSA-N 316.409 1.313 10 10 DDCE O=C(NCCOC[C@@H]1CCCO1)NCc1c(O)cccc1F 918979401 HBVQJPAXRQYAQI-NSHDSACASA-N 312.341 1.526 10 10 DDCE CCS(=O)(=O)C[C@@H](C)NC(=O)NCc1c(O)cccc1F 918619595 AYHAWDVOLUPTBR-SECBINFHSA-N 318.370 1.154 10 10 DDCE Cc1nc(SCCC(=O)NCc2c(O)cccc2F)n[nH]1 928706747 ZARTWMKVMXINNH-UHFFFAOYSA-N 310.354 1.756 10 10 DDCE CCn1nc(C)c(CN[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 850346762 JKAFFZPUJNXTCO-CQSZACIVSA-N 315.421 1.984 10 10 DDCE CN(C)c1ccc(CNC(=O)CN[C@@H]2C[C@@H](O)C23CCC3)cc1 852584400 MOIHAXGYLPSQDQ-HZPDHXFCSA-N 317.433 1.262 10 10 DDCE COC(=O)[C@@H]1CC[C@H](c2nc(Cc3ccc(N)cc3)no2)O1 863655408 DILMUIWMZNCIDC-NEPJUHHUSA-N 303.318 1.636 10 10 DDCE Nc1cccnc1C(=O)NCc1ccc(N2CCOCC2)cc1 864983990 CBGCJUDENABEGV-UHFFFAOYSA-N 312.373 1.430 10 10 DDCE C[C@H](Cn1ccnc1)NC(=O)c1ccc(N=NC(N)=O)cc1 1141645411 BLNONQGICMPOAB-SNVBAGLBSA-N 300.322 1.864 10 10 DDCE COc1cccc([S@](=O)CC(=O)NCc2ccccc2O)c1 1150536910 SXTSYIRGZSYYMS-JOCHJYFZSA-N 319.382 1.825 10 10 DDCE CN(C/C=C/C(=O)NCc1cccc(O)c1O)CC(F)(F)F 1350300688 WRHVIAYNISSUSB-ZZXKWVIFSA-N 318.295 1.764 10 10 DDCE NC(=O)c1ccc(C(=O)NCc2c(O)cccc2O)nc1Cl 1456235775 NZKYZRWTMXHWIE-UHFFFAOYSA-N 321.720 1.175 10 10 DDCE O=C(NC[C@@H](CO)c1ccc(F)cc1)c1c(F)ccc(O)c1O 1457870361 ZCSYQANPVICUQI-JTQLQIEISA-N 323.295 1.882 10 10 DDCE O=C(O)c1nc(=NCc2ccccc2O)[nH]cc1Br 2116854096 ZSMUDSFLDVPRQP-UHFFFAOYSA-N 324.134 1.677 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1coc(CS(C)(=O)=O)n1 1629954918 KDINMSYZXKYMOR-UHFFFAOYSA-N 324.358 1.197 10 10 DDCE COCCC(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 1499144746 QUHAFFTVVFTPQU-UHFFFAOYSA-N 306.406 1.779 10 10 DDCE Cc1c[nH]c(CC(N)=O)c1C(=O)N[C@H](C)c1ccccc1O 1642827177 ARSVTPRNDLMTGV-SNVBAGLBSA-N 301.346 1.548 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CN2CCC1CC2 1653229318 BVZLCEDZNQCMBL-PMUGQKEBSA-N 302.374 1.569 10 10 DDCE Cc1ccc(C(=O)N(CC2CC2)[C@H](C(N)=O)C2CC2)c(O)c1O 1587623946 LODBMRQGJXCUOP-ZDUSSCGKSA-N 318.373 1.522 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cc(F)cc2nn[nH]c12 1652626144 QOAUCNSECFPURS-UHFFFAOYSA-N 302.265 1.438 10 10 DDCE CNC(=O)[C@H]1CCCN1c1ccc(CN)cc1C(F)(F)F 163697574 BAOGUGHIMXZZBJ-GFCCVEGCSA-N 301.312 1.879 10 10 DDCE Cn1cnnc1[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1O 156830751 WBKOMMQBTTXMCP-GFCCVEGCSA-N 303.322 1.766 10 10 DDCE [N-]=[N+]=NCC1CCN(S(=O)(=O)C2CCC(=O)CC2)CC1 1912151922 NAFRXHIINBWJGV-UHFFFAOYSA-N 300.384 1.850 10 10 DDCE O=S(=O)(C(F)F)C1CN(c2ccc(CO)cc2Cl)C1 2141748380 VYWVQVBNSHGGPX-UHFFFAOYSA-N 311.737 1.658 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(N)=S 1951694309 GJLYUOFIOPPGCC-VIFPVBQESA-N 312.391 1.820 10 10 DDCE N[C@H](c1c(O)c(Cl)cc(Cl)c1Cl)[C@H](O)C(=O)O 1952056758 IDYWMZPDFDIUSO-SVRRBLITSA-N 300.525 1.798 10 10 DDCE COCCS(=O)(=O)CCNCc1ccc(OC)c(C)c1 1969170613 GVVBPZMWXAMJRG-UHFFFAOYSA-N 301.408 1.154 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CCC3(CC2)CSC3)cc1 2150341336 APOCQZPQZZEQGX-UHFFFAOYSA-N 312.460 1.928 10 10 DDCE Cc1ccc([C@@H](C)N(C)CCN(C)S(C)(=O)=O)c(O)c1 2146944744 YSFGMKDFHVFKON-GFCCVEGCSA-N 300.424 1.585 10 10 DDCE CNCc1ccc(N(C)CCS(=O)(=O)N(C)C)c(Cl)c1 2151051210 ZPIPQAONIMDHKF-UHFFFAOYSA-N 319.858 1.387 10 10 DDCE C[C@H]1CC[C@@H](C2OCCO2)N(CC(=O)Nc2ccc(N)cc2)C1 2152075759 SSPATAWALZQGGM-WFASDCNBSA-N 319.405 1.681 10 10 DDCE CN(C)CCN(CCO)c1ccc(CN)cc1Br 2038021200 QWFHQLSEALSAFS-UHFFFAOYSA-N 316.243 1.268 10 10 DDCE Nc1ccc(OCC(=O)Nc2cnc(Br)cn2)cc1 88446076 KLMGFKKMFKPVLB-UHFFFAOYSA-N 323.150 1.839 10 10 DDCE C[C@H]1CN(c2cc(Br)c(CN)cc2F)C[C@H]1O 387568525 JCNLWOQHSADFPF-JVXZTZIISA-N 303.175 1.864 10 10 DDCE COCCNCc1ccc(N2CC([S@@](C)=O)C2)cc1Cl 2171951938 SEMOLWGDGKWKMP-HXUWFJFHSA-N 316.854 1.643 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC(CCCO)CC3)c2n1 2062268655 VQDXZSRHJCBIBX-UHFFFAOYSA-N 318.377 1.368 10 10 DDCE Cc1cn2c(n1)CC[C@@H](C(=O)NCc1cccc(O)c1O)C2 2064594048 LRCVGVRUZCADAP-GFCCVEGCSA-N 301.346 1.482 10 10 DDCE CO[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@H]1N 1908010039 LOQKVRPPLFDQSB-ZYHUDNBSSA-N 301.184 1.313 10 10 DDCE O=S1(=O)C[C@@H]2CCN(c3ccc(CO)c(Cl)c3)[C@H]2C1 2094928209 UOOZJRVLDAYMCV-GWCFXTLKSA-N 301.795 1.456 10 10 DDCE CSc1ncc(CN=c2[nH]c(CC(=O)O)cs2)s1 2256947830 KLCRZDMGZGSKAH-UHFFFAOYSA-N 301.418 1.983 10 10 DDCE CCCN[C@@H]1COC[C@H]1CNCc1cnc(SC)s1 2269311389 DYAPJZFBWRWQAC-ZYHUDNBSSA-N 301.481 1.969 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)c1cnn(C)c1Br 2300531664 JYCXALNNIPDMGR-UHFFFAOYSA-N 301.148 1.955 10 10 DDCE N[C@@H](COCc1ccccc1)CC(=O)C(=O)C[C@H]1C[C@H](N)C1 1893863544 FEBKVEFKBJKXLI-RBSFLKMASA-N 304.390 1.186 10 10 DDCE COc1cc(Cl)c(N2C[C@H](OC)C[C@@H]2CO)c(OC)c1 2368104894 CMJDNSSZZYOWTP-MWLCHTKSSA-N 301.770 1.943 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@H](O)C2)cc1Br 235222763 VAKBHHBHRUXHAW-NZXMKCKXSA-N 301.184 1.011 10 10 DDCE COc1ccc(O)c(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 373215657 JOEJRTDGWVPILA-WFASDCNBSA-N 304.390 1.891 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(F)cc2F)c1C 808503836 VKOLPAOQNUJYPU-UHFFFAOYSA-N 322.267 1.774 10 10 DDCE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)C(C)=O 808513482 FVZIDTNNVYZAKJ-CABZTGNLSA-N 315.366 1.627 10 10 DDCE COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)NCc1ccccc1O)C2 819398450 MNYMUIXIEKUJOA-YUTCNCBUSA-N 318.373 1.875 10 10 DDCE C[C@@H]1COCC[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O 819167815 IEJHKMAWOMVVRU-YPMHNXCESA-N 304.346 1.581 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccn(CCc2ccccc2)n1 837953968 OYYINKFRAFFLJU-UHFFFAOYSA-N 300.314 1.441 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H](CCC(=O)O)O2)cc1 911120923 OWQHJXVFCQSSHY-CABCVRRESA-N 320.389 1.781 10 10 DDCE COc1ccc(C(=O)NCC(=O)NCc2ccccc2O)cc1 748350491 USTLNASLMUYXRS-UHFFFAOYSA-N 314.341 1.447 10 10 DDCE CCc1cccc(CN2CCCN(CCOC)C(=O)C2)c1O 848906156 PYPDMMKRIPHJGH-UHFFFAOYSA-N 306.406 1.635 10 10 DDCE COc1ccc(N2CCN(C(=O)NCCCN)CC2)cc1F 841932182 LQWNMTUUPZORRL-UHFFFAOYSA-N 310.373 1.015 10 10 DDCE O=S(=O)(C[C@@]12CCCN(CC1)C2)N1Cc2cccc(O)c2C1 918879945 AZYQCFQCKCXMSD-INIZCTEOSA-N 322.430 1.524 10 10 DDCE CN1C[C@@H](CCNC(=O)/C=C\c2ccc(O)c(O)c2)CC1=O 927746570 NUEQPZKOIYVRGP-FHMRSRPSSA-N 304.346 1.096 10 10 DDCE C[C@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)CN1C1CC1 921384058 IXJGLQXNGCBCGJ-QWRGUYRKSA-N 307.369 1.956 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cc3ncc[nH]3)C2)cc1 855227029 STPUXHKYHAGLRN-LBPRGKRZSA-N 300.362 1.356 10 10 DDCE COC(=O)CC(C)(C)CNC(=O)/C=C\c1ccc(O)c(O)c1 927966202 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CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1897321959 VWHHISREIXUGQH-VFFPBDHRSA-N 322.405 1.509 10 10 DDCE Cn1cc(-c2nsc(NC(=O)c3cccc(O)c3O)n2)cn1 1158238326 FSYPIPAVLCCCLM-UHFFFAOYSA-N 317.330 1.602 10 10 DDCE CC(C)N(C[C@H]1CCC(=O)N1)C(=O)Cc1ccc(O)c(O)c1 1162081608 XLBPEVIDTZFUJY-GFCCVEGCSA-N 306.362 1.156 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccn(C2CCOCC2)n1 1470202170 ASUXSBMKHAGAIO-UHFFFAOYSA-N 317.345 1.827 10 10 DDCE C[C@H](NC(=O)[C@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1 1625544225 RWIOKTMJBDBOCL-XHDPSFHLSA-N 302.378 1.397 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@H]1CCCN(CC(F)F)C1 1652625538 HLURLBXSXYVRKX-JTQLQIEISA-N 314.332 1.691 10 10 DDCE COC(=O)c1cc(C(=O)NCc2cc(O)ccc2O)ccn1 1593872894 FSNXREVBKUWGON-UHFFFAOYSA-N 302.286 1.209 10 10 DDCE CCn1ncc(NCCOc2ccc(N)cc2)c(Cl)c1=O 159319408 UBBJKBWAFPTZLA-UHFFFAOYSA-N 308.769 1.990 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCc1nc2c(s1)CCC2 1651543892 JRMPCVZGWUTMPT-UHFFFAOYSA-N 318.398 1.944 10 10 DDCE COC[C@@](C)(CO)CNCc1cc(Cl)cc(OC)c1O 1926973242 SRYPVEDGORBFSA-CQSZACIVSA-N 303.786 1.789 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@H](F)C2)cc1Br 1944301833 QYIHKQYZOUXUJQ-UPZJHPNMSA-N 303.175 1.988 10 10 DDCE OCc1ccc(N2C[C@@H](O)C(F)(F)C2)c(Br)c1 1946656438 MITIQYVOTCCJAJ-SNVBAGLBSA-N 308.122 1.758 10 10 DDCE CN1C[C@@H](N)C[C@H]1c1cc(I)ccc1O 1952305930 FZDMGRAIPYUIGB-WPRPVWTQSA-N 318.158 1.701 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c(F)c1 400849126 PCQOOFMISMTESH-GMTAPVOTSA-N 300.399 1.857 10 10 DDCE CC[C@]12CN3C[C@](C)(CN(C1)C3c1ccc(O)c(O)c1)C2=O 2059110156 GYRBKERJGZBEFB-ZXFUBFMLSA-N 302.374 1.713 10 10 DDCE CSCCS(=O)(=O)N1CCN(c2ccc(N)cc2)CC1 2174046907 XMIABRXHXRTNLH-UHFFFAOYSA-N 315.464 1.084 10 10 DDCE O=C(NCc1c(O)cc(O)cc1O)[C@@H]1CCCN1C1CCCC1 2063875669 XSUNNXIEQYVOMK-AWEZNQCLSA-N 320.389 1.827 10 10 DDCE O=C(NCc1c(O)cc(O)cc1O)[C@H]1CCN1C1CCCC1 2064278543 SBHGNWBHRDUTLD-CYBMUJFWSA-N 306.362 1.437 10 10 DDCE C[C@@H](O)c1ccc(N2CC3(CNS(=O)(=O)C3)C2)c(Cl)c1 2176155218 SZCOIAQRCUTGFU-SECBINFHSA-N 316.810 1.133 10 10 DDCE C[C@H](O)c1ccc(N(CCS(C)(=O)=O)C2CC2)c(F)c1 2170152233 HUBHNWJWVISUGP-JTQLQIEISA-N 301.383 1.892 10 10 DDCE CN=c1[nH]cc(C(=O)NCc2cnc(SC)s2)s1 2257119836 SLVRDMMPESJMJR-UHFFFAOYSA-N 300.434 1.715 10 10 DDCE COC(=O)CN(C(=O)/C=C\c1cnccn1)c1cccc(C)n1 491928536 HUBCPCGDUQCQAN-SREVYHEPSA-N 312.329 1.399 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NCCn1cc([N+](=O)[O-])cn1 2308002072 RPKNOTCXJXNMLH-UHFFFAOYSA-N 318.289 1.032 10 10 DDCE CCC[C@H]1C(=O)NCCN1C(=O)C=Cc1ccc(O)c(O)c1 2308009231 GRRTVCAXXTWDAM-LBPRGKRZSA-N 304.346 1.238 10 10 DDCE Cc1ccc(CN=c2[nH]nc(C)n2C)c(O)c1Br 2327800314 IUFVTXOQSQZSMI-UHFFFAOYSA-N 311.183 1.934 10 10 DDCE CCCNCc1cc(F)c(N2CCS(=O)(=O)CC2)c(F)c1 62711057 VMWHDSKLIXPNJZ-UHFFFAOYSA-N 318.389 1.699 10 10 DDCE COCCN1[C@@H](C)CN(C(=O)c2ccc(C)c(O)c2O)C[C@@H]1C 182892033 CGLMDGKSXDRREO-STQMWFEESA-N 322.405 1.587 10 10 DDCE C[C@H]1CCC[C@H](CS(=O)(=O)NCC2(CN=[N+]=[N-])CC2)O1 2364244517 LPQXUGYQOIICME-WDEREUQCSA-N 302.400 1.954 10 10 DDCE CC(C)[C@@H](NCc1cc(Br)ccc1O)C(N)=O 223957008 IXQZZMRTVOQBAG-LLVKDONJSA-N 301.184 1.754 10 10 DDCE Nc1ccc(OCc2nc([C@H]3CCS(=O)(=O)C3)no2)cc1 149797601 FFPHRAVJBTWLHF-VIFPVBQESA-N 309.347 1.133 10 10 DDCE COc1ccc(N(C)C[C@@H](O)COC[C@H]2CCCO2)cc1F 246590598 PPOUUXMZQBXECX-ZIAGYGMSSA-N 313.369 1.827 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c1O 368963251 ADEQFUFNNQWBOV-ZBINZKHDSA-N 320.364 1.820 10 10 DDCE C[S@](=O)CC1CN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)C1 2166654508 VGFYZFSOIDFSIL-ODXCJYRJSA-N 314.794 1.140 10 10 DDCE CO[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CCOC1 824669374 KHKIPQMYVVBEKO-SWLSCSKDSA-N 310.369 1.559 10 10 DDCE CC[C@H](O)CC(=O)NCc1cc(Br)ccc1O 832445710 DDCDVYCCUAATCF-JTQLQIEISA-N 302.168 1.932 10 10 DDCE Cn1cnnc1N1CCN(Cc2c(O)ccc3ccncc23)CC1 848498664 XRTWCQHUIBRTEZ-UHFFFAOYSA-N 324.388 1.391 10 10 DDCE COC(=O)[C@H](NCc1cccc(Cl)c1O)c1ccnn1C 843429385 CFBSSSPWPQSESS-GFCCVEGCSA-N 309.753 1.783 10 10 DDCE CC[C@@H](NC[C@@]1(OCCO)CCOC1)c1ccc(C)cc1O 850510967 YTGUCVNLFKLFNT-WBVHZDCISA-N 309.406 1.909 10 10 DDCE COC[C@]1(C)CN(Cc2cc(OC)c(OC)cc2O)CCO1 862550960 HZGYYLDRTWXJGP-INIZCTEOSA-N 311.378 1.647 10 10 DDCE Cc1cc(C)c2c(N)c(C(=O)O[C@H]3CCCNC3=O)sc2n1 767271407 BDUCPLJFRKBHFL-VIFPVBQESA-N 319.386 1.931 10 10 DDCE CCOC(=O)[C@]1(C)CN(Cc2cc(F)cc(F)c2O)CCO1 895452509 XUKDBYVTSMOFAA-HNNXBMFYSA-N 315.316 1.824 10 10 DDCE CCn1nnnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1333672673 GPLLAFZIHZFXHH-UHFFFAOYSA-N 306.345 1.167 10 10 DDCE O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@@H](O)CO 1185734431 DERYYRDFELSKOF-CYBMUJFWSA-N 316.313 1.591 10 10 DDCE CCC(=O)NC[C@@H](CC)NC(=O)c1ccc(N=NC(N)=O)cc1 1531038237 HWCOPTZGXPXVBJ-LLVKDONJSA-N 319.365 1.884 10 10 DDCE C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1nncn1C 1542551760 YEKXUVMCWHLWAR-ZETCQYMHSA-N 318.358 1.932 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](O)C(F)(F)C2)cc1 1632395981 HGOHBVQHFKIULQ-JTQLQIEISA-N 312.276 1.691 10 10 DDCE CC[C@@H](C)C(=O)NC[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1720897396 QEZDKPYLYUQTGO-MNOVXSKESA-N 323.393 1.379 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC3(C2)OCCO3)cc1 1566944681 PHAJBOTWZIJLRS-LBPRGKRZSA-N 318.333 1.874 10 10 DDCE N[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@@H]1CO 2122345505 INBOTSROIDTENG-PELKAZGASA-N 305.205 1.841 10 10 DDCE COc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)c(O)c1 1633927618 YJQVYPXVEVZLEW-UHFFFAOYSA-N 303.314 1.671 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@H]1[C@@H]1CCCO1 1640422454 SYNNUGMAGAQDHB-WFASDCNBSA-N 307.346 1.047 10 10 DDCE O=C1COc2ccc(C(=O)NCc3c(O)cccc3F)cc2N1 1645047912 CLIPLIDSQABQHO-UHFFFAOYSA-N 316.288 1.792 10 10 DDCE CCOC(=O)CC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1586775533 IXSUWTZLDMAKQN-UHFFFAOYSA-N 321.373 1.832 10 10 DDCE COc1ccccc1NC(=O)CN1C(=O)[C@@H](C)SC1=S 11635370 BLUNAPCEEQARJA-MRVPVSSYSA-N 310.400 1.883 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCC2=CCCC2)c1 158155187 RBZXCADIJHDXCP-UHFFFAOYSA-N 324.402 1.994 10 10 DDCE CS(=O)(=O)N[C@H]1CCN(Cc2cc3c(cc2O)CCCC3)C1 160210561 GIABRPMMYTZJPH-HNNXBMFYSA-N 324.446 1.395 10 10 DDCE CN(Cc1c(O)cccc1Br)C(C)(C)C(N)=O 1915535027 ADGSUSQCWTUZGI-UHFFFAOYSA-N 301.184 1.850 10 10 DDCE Cn1cc(CCNCc2c(O)cccc2Br)nn1 1965927883 RTRLYDWYOLIHLV-UHFFFAOYSA-N 311.183 1.616 10 10 DDCE Oc1ccc(I)cc1[C@@H]1C[C@@H](O)CN1 1952068430 OMGPZFCLKKBIIB-APPZFPTMSA-N 305.115 1.392 10 10 DDCE CC(C)(C)OC(=O)NC[C@@]1(c2cc(O)nc(O)c2)CCNC1 1952695398 HUKLHSYIWXFPQR-OAHLLOKOSA-N 309.366 1.249 10 10 DDCE CNCc1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)c(F)c1 2143669028 ADKZGFNPKLNSEE-GFCCVEGCSA-N 300.399 1.416 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(Cc2ccc(N)cc2)C1 1980081926 SNZOBPYPPOIXDL-LSDHHAIUSA-N 321.421 1.729 10 10 DDCE COc1ncc(S(=O)(=O)NCc2ccccc2O)s1 311563227 LCSAWLJDEWAFNL-UHFFFAOYSA-N 300.361 1.336 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc(CN)c(Cl)c1 696837109 PEICKBPWRVCISL-STQMWFEESA-N 318.826 1.047 10 10 DDCE Nc1ccc(NC(=O)CCCN2CCC3(C2)OCCO3)cc1 396544172 SWVFVGSFLPFCBD-UHFFFAOYSA-N 305.378 1.436 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1c1ccc2c(c1)CC[C@H]2N 2184730591 XNDXXUTYJPQXNS-KGLIPLIRSA-N 312.460 1.557 10 10 DDCE C[C@@H](O)C[C@@H]1COCCN1c1cc(Cl)c(CN)cc1F 2185304351 NBFVIYCCIFJNMS-MWLCHTKSSA-N 302.777 1.914 10 10 DDCE CO[C@@H]1COC[C@@H]1N(C)c1ccc(CN)cc1Br 2057140799 DZDXGNOMDALCJL-QWHCGFSZSA-N 315.211 1.758 10 10 DDCE CO[C@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@H]1N 2058770050 ZWTUQKPFTWMYPO-MNOVXSKESA-N 319.174 1.452 10 10 DDCE C[C@H](N)c1cc(F)c(N(C)[C@@H]2CCS(=O)(=O)C2)c(F)c1 2194703648 VEASPBQSZISLJU-WCBMZHEXSA-N 304.362 1.608 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@@H](O)[C@H](O)C2)c(Br)c1 2068407595 SUONMUHHRJQLDK-ZEGGKSINSA-N 316.195 1.434 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2COCC(C)(C)N2)s1 2269089975 IKSLSRMGBBOERC-SECBINFHSA-N 301.437 1.248 10 10 DDCE CSc1ncc(CNC(=O)C2(C(=N)NO)CC(C)C2)s1 2284506644 HNXAJCSYFXEATO-UHFFFAOYSA-N 314.436 1.854 10 10 DDCE COC(=O)C(C)(C)CS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])C1 2290099168 HCEMAEVSBRXNND-VIFPVBQESA-N 304.372 1.290 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCCOCC2)s1 2347636291 WAHKHWAQRRBMGB-GFCCVEGCSA-N 302.421 1.979 10 10 DDCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)C[C@@H]1CCCO1 63155128 VNXZHBDKWUMHFE-HNNXBMFYSA-N 312.435 1.990 10 10 DDCE C[C@@H]([C@@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1O)S(C)(=O)=O 173396252 USILYRVLQHSLIE-ZJUUUORDSA-N 316.379 1.554 10 10 DDCE CCCC(=O)N[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1354495262 PLDKHHSDEBXOHH-SNVBAGLBSA-N 319.365 1.884 10 10 DDCE CN(C[C@@H]1CCCO1)S(=O)(=O)CCOc1ccc(N)cc1 70490762 AADNCDMGNRKKKU-AWEZNQCLSA-N 314.407 1.088 10 10 DDCE O=S(=O)(C(F)F)[C@@H]1CCN(Cc2cccc(F)c2O)C1 2368710405 SPWXKONYGFORSD-SECBINFHSA-N 309.309 1.743 10 10 DDCE CNC[C@@H]1CN(Cc2cc(Br)ccc2O)CCO1 234375244 GDYBSLVHUKKWIM-GFCCVEGCSA-N 315.211 1.575 10 10 DDCE Oc1ccc(Br)cc1CNCCCc1nnc[nH]1 236615776 HEXJMSAGFZPVIU-UHFFFAOYSA-N 311.183 1.995 10 10 DDCE COc1cc2c(c(OC)c1OC)[C@H](N1CCCNCC1)CN2C 527417561 ZUKSETCVJQTNJF-CYBMUJFWSA-N 321.421 1.499 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@]2(CCCOC2)C1 286404876 PKYNRGILQZPTAN-NJELEJDNSA-N 319.357 1.519 10 10 DDCE COC(=O)Cn1cc(CN2CCc3cc(OC)ccc32)nn1 294545144 JSDSWAGEPBJJHF-UHFFFAOYSA-N 302.334 1.022 10 10 DDCE CS(=O)(=O)COc1ccc(N2CCC[C@H](N)C2)c(F)c1 2163680505 HHTWRWODWVQUSM-JTQLQIEISA-N 302.371 1.134 10 10 DDCE CSCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 299155598 MKUJYTQMSAUAOJ-UHFFFAOYSA-N 308.447 1.875 10 10 DDCE Cn1nccc1C(=O)NCc1cc(Br)ccc1O 804734808 ZVXOKRCVIZULPR-UHFFFAOYSA-N 310.151 1.818 10 10 DDCE CC(=O)CCc1ccc(OCC(=O)OCC(=O)C(C)=O)cc1 808508581 IOJAEYGEOGVDHC-UHFFFAOYSA-N 306.314 1.288 10 10 DDCE COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@H](C)c2ccccc2O)C1 827917563 NPJYVXGFOYRLOB-FRRDWIJNSA-N 321.373 1.928 10 10 DDCE OCCN(Cc1cc2c(cc1O)OCO2)C1CCSCC1 825129868 GYJBUMPNTNPSSD-UHFFFAOYSA-N 311.403 1.811 10 10 DDCE CC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NC 834914843 WWWNHZKAMJGNSY-WFASDCNBSA-N 323.412 1.838 10 10 DDCE Cc1cc(CC(=O)N[C@H]2CNC(=O)C2)c(C)n1-c1ccccc1 831783512 BJKLYDNNLNNGEQ-OAHLLOKOSA-N 311.385 1.641 10 10 DDCE CC[C@@H](CO)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 588540294 OUVRSWGCDODKFW-KKTNHOPESA-N 304.390 1.424 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](O)c1ccc(Cl)c(Cl)c1 838143580 GHJNOXBGRUNNAS-NSHDSACASA-N 305.113 1.728 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2C[C@@H]3CCC[C@H](C2)N3)cc1 844223705 ADOSTIYFMUVTAI-IYBDPMFKSA-N 316.449 1.195 10 10 DDCE CCOCc1cc(CNC2(C(=O)N(C)C)CC2)ccc1OC 840957058 ICJFPJSXHYLULL-UHFFFAOYSA-N 306.406 1.942 10 10 DDCE COC(=O)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccnn1C 843430493 XVLGWNOORYLJRV-HNNXBMFYSA-N 320.368 1.629 10 10 DDCE COc1ccc(N2CCC(N[C@H]3C[C@@H](C(N)=O)C3)CC2)cc1 846046352 GGWSEMIDWRDMQA-XBXGTLAGSA-N 303.406 1.518 10 10 DDCE COC(=O)N[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 924485463 NTISGJRLZLXMSX-MZBZXASESA-N 306.318 1.068 10 10 DDCE COC[C@@H](NC(=O)c1ccc(C)c(O)c1O)[C@@H]1CCCOC1 924683536 AFWASZXLYLRLRZ-DGCLKSJQSA-N 309.362 1.578 10 10 DDCE CN1CCCc2cc(CNC(=O)N3CC(C(=O)O)C3)ccc21 857097903 XGTGFQKQNPQBQI-UHFFFAOYSA-N 303.362 1.295 10 10 DDCE CCO[C@@H](CN[C@@H](C)c1cc(C(=O)OC)ccc1O)CN(C)C 926960885 NNIGJRNTZUAVKO-JSGCOSHPSA-N 324.421 1.796 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CC(=O)N(CC2CC2)C1 922796271 GISKFNIUZWXULT-AGLBCWCQSA-N 316.357 1.238 10 10 DDCE CN(C)c1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)ns1 759595881 RTJIPJORHQDNGN-XQRVVYSFSA-N 321.358 1.772 10 10 DDCE CC[C@H](C(=O)NCc1ccc2cccnc2c1O)C(=O)OC 862026353 LSIXSASQLPLGQL-GFCCVEGCSA-N 302.330 1.756 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2[C@@H]3C[C@H]4[C@H](CO[C@H]42)C3)cc1 866073158 XSDDUTKTHNAARG-XSIBGMEISA-N 315.417 1.975 10 10 DDCE CCn1nc(C)c(C(=O)NCc2ccc3cccnc3c2O)n1 862026689 XCJGQXBCXAGWON-UHFFFAOYSA-N 311.345 1.790 10 10 DDCE COc1cc(OC)c2cc(C(=O)OCC(=O)C(C)=O)[nH]c2c1 869618005 QTTDEUGQLKMESB-UHFFFAOYSA-N 305.286 1.500 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C)CCC(=O)NC1 798440573 CEKZQQSPRSAOCZ-KRWDZBQOSA-N 303.406 1.594 10 10 DDCE CC1(C)CCN(C(=O)c2c(F)ccc(O)c2O)CC[S@@]1=O 1161324551 FPVJQCPBCYLDGK-NRFANRHFSA-N 315.366 1.610 10 10 DDCE CC[C@@]1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCNC1 1327865864 URKNHPXAFCDAFH-RDTXWAMCSA-N 317.433 1.780 10 10 DDCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1sncc1Br 711821773 BJXJXGLVNJFZBW-LURJTMIESA-N 319.188 1.722 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@H]2CNC[C@@H]21 686545912 PCUYFUHFHNQOTN-RYUDHWBXSA-N 303.189 1.872 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(CCOC)c1 1449122451 PMFCBUAYICZMCW-UHFFFAOYSA-N 324.377 1.651 10 10 DDCE CCCCNC(=O)[C@H]1CSCN1C(=O)c1cccc(O)c1O 1539618597 LNBHRQKAFUFYSS-LLVKDONJSA-N 324.402 1.529 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)CC2CCC2)cc1C 1717763481 ZCUMHYLPFFWXAU-INIZCTEOSA-N 320.433 1.761 10 10 DDCE CN(C)CCOCCNC(=O)c1ccc(N=NC(N)=O)cc1 1631921636 BSHQJSZFFLIHLK-UHFFFAOYSA-N 307.354 1.157 10 10 DDCE CCCCCS(=O)(=O)CC(=O)NCc1ccc(O)cc1O 1638352830 WCLOTOFGIDWJEG-UHFFFAOYSA-N 315.391 1.319 10 10 DDCE Nc1ccc(Cc2ccc(NC(=O)[C@H]3C[C@@H](O)CN3)cc2)cc1 1866039650 BGZFWKCQGLQNLF-IAGOWNOFSA-N 311.385 1.521 10 10 DDCE Oc1ccc(I)cc1[C@H]1C[C@H](O)CN1 1952068433 OMGPZFCLKKBIIB-IONNQARKSA-N 305.115 1.392 10 10 DDCE C[C@@H]1CN(S(=O)(=O)Nc2ccc(O)c(F)c2)C[C@@H](C)O1 2145853832 WZGOLMYWPWWPPW-RKDXNWHRSA-N 304.343 1.297 10 10 DDCE [N-]=[N+]=N[C@H]1CCCN(CCS(=O)(=O)N2CCCC2)CC1 2155559525 CYURVYDOCFCTLB-LBPRGKRZSA-N 301.416 1.577 10 10 DDCE NCc1ccc(N2C[C@H]3C(CO)[C@@H]3C2)c(F)c1Br 2030268801 JFPFYLBJOYXHSF-RKDXNWHRSA-N 315.186 1.721 10 10 DDCE OCc1ccc(N2C[C@@H]3OCCO[C@@H]3C2)cc1Br 2032413959 WSOIKNGAQBUHOM-BETUJISGSA-N 314.179 1.545 10 10 DDCE COc1cc(Cl)cc(CNC[C@H]2COCCN2C)c1O 704198362 UVFYSGDCTJYGAP-LBPRGKRZSA-N 300.786 1.474 10 10 DDCE OCc1ccc(N2CCn3nncc3C2)c(Br)c1 2066551327 QPKQUGRGSMKKNS-UHFFFAOYSA-N 309.167 1.553 10 10 DDCE Nc1ccc(CC(=O)NCC2CCC3(CC2)OCCO3)cc1 2090784469 IGRJBDVQWQHDTC-UHFFFAOYSA-N 304.390 1.861 10 10 DDCE O=C(Nc1nccc(Br)n1)c1cccc(O)c1O 2259386567 GPTNXJISWSRDRY-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE O=C1Nc2cc(N3CCSC3)c(Br)cc2[C@@H]1O 2303491489 AMFWYBDYAWTARU-JTQLQIEISA-N 315.192 1.945 10 10 DDCE C[C@H](N)c1cc(F)c(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c(F)c1 2361611973 MVVHHYFONGDYTN-DXBFQKDVSA-N 302.346 1.218 10 10 DDCE CN1C(=O)CN(C(=O)OC(C)(C)C)C[C@@H]1c1cccc(N)c1O 1953022947 YKKOGUWFIZAYPT-GFCCVEGCSA-N 321.377 1.725 10 10 DDCE O=C(NCCc1ccc(O)cc1)Nc1cc(O)c(O)c(O)c1 217278644 NTSSOFMJUZAZDB-UHFFFAOYSA-N 304.302 1.873 10 10 DDCE CO[C@H](CCS(C)(=O)=O)CN[C@H](C)c1ccccc1O 2364088324 YCSKECOCRXYZMR-VXGBXAGGSA-N 301.408 1.493 10 10 DDCE Nc1ccc(CCN2C(=O)c3cccnc3S2(=O)=O)cc1 227717807 WSRHLGBRJHVKEW-UHFFFAOYSA-N 303.343 1.051 10 10 DDCE COc1ccc(CN(CCO)CCOCC(F)(F)F)c(O)c1 93320125 HTCGSHTUDXBUHY-UHFFFAOYSA-N 323.311 1.774 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C[C@H]1N(C)C 251752360 LJVKOWSXUYHZDD-WZYXQFPFSA-N 308.813 1.678 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ncccc2F)c1 255593827 FUEAFJXMORBYNG-WAYWQWQTSA-N 314.320 1.652 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(=O)n(-c2cccc(F)c2)c1 808524923 LWBQBFZVJPAJAG-UHFFFAOYSA-N 317.272 1.292 10 10 DDCE COc1ccc2c(c1)CCCN2Cn1nnn(C2CC2)c1=O 808169837 FTSTZUBCRLNCKU-UHFFFAOYSA-N 301.350 1.194 10 10 DDCE CC(C)[C@](C)(CO)NCc1ccc(N2CCN(C)CC2)cc1 810172777 PKTDOJGCYLNOCZ-SFHVURJKSA-N 305.466 1.935 10 10 DDCE COc1ccc(O)c(CN[C@@H]2CNCC3(CCOCC3)C2)c1 903972106 GRSNZWSOMGVRAS-AWEZNQCLSA-N 306.406 1.649 10 10 DDCE CCN(Cc1cc(O)n2ncc(C(=O)O)c2n1)CC(F)(F)F 737851140 GUGHAHSTAQJIDD-UHFFFAOYSA-N 318.255 1.517 10 10 DDCE CC[C@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@H](C(=O)O)C1 62460602 QNIYADCPLBZSRW-SMDDNHRTSA-N 305.378 1.783 10 10 DDCE C[C@H](NC(=O)N[C@H](C)[C@@H](C)N)c1ccc(N2CCOCC2)cc1 841739702 BFWTVRYHJLEQSL-MCIONIFRSA-N 320.437 1.619 10 10 DDCE C[C@H]1CCn2ncc(C(=O)NCc3ccc(O)c(O)c3)c2C1 843831916 SQEAZEMWYJNQON-JTQLQIEISA-N 301.346 1.807 10 10 DDCE C[C@H]1CCNC[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 841975957 JIZXSTZPIOKWKV-BBRMVZONSA-N 304.438 1.892 10 10 DDCE CCOc1ccc(CNCC2(S(=O)(=O)CC)CC2)c(O)c1 850397520 HADSKYMZAWWWJS-UHFFFAOYSA-N 313.419 1.848 10 10 DDCE CCNCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851661321 HGNBIWYXZQNTGL-CQSZACIVSA-N 320.437 1.573 10 10 DDCE CNC(=O)CCCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855227946 SECLSQTZAKEURE-ZDUSSCGKSA-N 319.405 1.306 10 10 DDCE CNCCOCCNC(=O)NCc1ccc(N2CCCC2)cc1 861556960 JMFWFYFTOSGKDO-UHFFFAOYSA-N 320.437 1.322 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CCN(C2CCC2)C1=O 869443097 JYMNNDDJIJHFQX-KEDPEKRHSA-N 317.341 1.808 10 10 DDCE C[C@H]1SCCN(S(=O)(=O)Cc2ccc(N)cc2)[C@@H]1C 132028383 VNVZNRWNHOCCSM-GHMZBOCLSA-N 300.449 1.924 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@H](C)CO3)C2)cc1 892686115 RKWDYTVWLGFVLM-HEHGZKQESA-N 304.390 1.815 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)C1CN([C@@H]2CCOC2)C1 896058551 QAYGAYGYONQYKL-MRXNPFEDSA-N 318.417 1.852 10 10 DDCE CN(C)c1noc(CNC(=O)c2ccc(N=NC(N)=O)cc2)n1 1138613452 UACVKWQBLAMCHZ-UHFFFAOYSA-N 317.309 1.228 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2[C@@H](C1)C2(F)F 1346231811 HJBDWMNVRPMKKN-GHMZBOCLSA-N 310.300 1.074 10 10 DDCE CN(C)CCn1nccc1NC(=O)Cc1ccc(O)c(O)c1 1450404017 AHEZABFIVUZUPX-UHFFFAOYSA-N 304.350 1.037 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccc(-n2cncn2)nc1 1471644386 SFYIWVJIWCTLSQ-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE Cn1c(=O)oc2cc(NC(=O)Cc3ccc(O)c(O)c3)ccc21 1542779718 NLAICCPTHUXYDD-UHFFFAOYSA-N 314.297 1.724 10 10 DDCE CN1CC=C(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1623938505 BQAYTCRESASQOB-UHFFFAOYSA-N 301.350 1.841 10 10 DDCE CN(Cc1nncn1C)C(=O)c1cc2cc(O)c(O)cc2s1 1629088302 SCMURZSQXGCNRS-UHFFFAOYSA-N 318.358 1.713 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)Cc2ncc[nH]2)cc1C 1714286433 OXAMAWCHESZMEZ-ZDUSSCGKSA-N 316.405 1.564 10 10 DDCE Cc1nccnc1CCNC(=O)c1ccc(N=NC(N)=O)cc1 1628601319 XLERBKSVLYTANI-UHFFFAOYSA-N 312.333 1.920 10 10 DDCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)C2CCC2)cc1C 1717908861 KNMZKZZLCNBCRK-MRXNPFEDSA-N 320.433 1.713 10 10 DDCE CC(C)(C)CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(N)=O 1556391551 NRZVDATXSKQSFN-LLVKDONJSA-N 308.378 1.437 10 10 DDCE COCCNc1nc(CC(=O)NCc2ccccc2O)cs1 1630363669 XGSMNRJRAAVJGK-UHFFFAOYSA-N 321.402 1.766 10 10 DDCE CCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C[C@@H](C)O 1567357332 VPQKBEUCAYVGKV-LLVKDONJSA-N 321.381 1.282 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2ncc[nH]2)cc1C 1731591331 QMOXUNPPGXXPCC-GFCCVEGCSA-N 302.378 1.635 10 10 DDCE COc1cc(C(=O)N[C@@H](C)CNC(=O)C=C(C)C)cc(OC)n1 1737547983 GODQEFFLCPNVLL-NSHDSACASA-N 321.377 1.300 10 10 DDCE CC(=O)c1cccc(OCC(=O)NCc2cc(O)ccc2O)c1 1593868065 HENUHPFKINOFLN-UHFFFAOYSA-N 315.325 1.996 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCCN1Cc1c(O)cccc1F 1964593891 KKFYWLIDCXMNQK-NSHDSACASA-N 301.383 1.930 10 10 DDCE O=C(CSc1n[nH]c(=O)n1C1CC1)c1ccc(O)c(O)c1 18973899 GYEBGHYXQPUKDV-UHFFFAOYSA-N 307.331 1.293 10 10 DDCE Nc1ccc(CC(=O)NCc2nc(-c3ccncc3)no2)cc1 164238428 KOQYZNBYLKOUAN-UHFFFAOYSA-N 309.329 1.573 10 10 DDCE CC[C@@H](NC1CCN(C[C@H](O)COC)CC1)c1ccccc1O 156969954 DLUWQUBPHKDGIE-DOTOQJQBSA-N 322.449 1.905 10 10 DDCE COCCN(C)CCN[C@@H](C)c1ccc(N2CCOCC2)cc1 159300922 FCTJLVLFTUVGAA-INIZCTEOSA-N 321.465 1.752 10 10 DDCE C[C@@H](N)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 1865916249 RDMZXOZDJMVISJ-RISCZKNCSA-N 301.394 1.039 10 10 DDCE C[C@H](O)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 1866098088 AZKUEKUNKSEWPC-FZMZJTMJSA-N 302.378 1.073 10 10 DDCE OCc1ccc(N2C[C@H](O)C(F)(F)C2)c(Br)c1 1946656437 MITIQYVOTCCJAJ-JTQLQIEISA-N 308.122 1.758 10 10 DDCE C[C@@](O)(CCO)CNCc1cc(Br)ccc1O 1999978945 KMYPOIQOXJLMJW-GFCCVEGCSA-N 304.184 1.378 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCCC2(C1)OCCO2 316625378 LXBUREFSHYENIW-GFCCVEGCSA-N 305.378 1.435 10 10 DDCE COc1ccc(N(C)[C@@](C)(CN)CCS(C)(=O)=O)cc1 2160790317 LLWFXKSTKZDIDS-CQSZACIVSA-N 300.424 1.284 10 10 DDCE CN(Cc1c(O)cccc1F)C[C@H]1CCCCS1(=O)=O 2160775397 BJLRZXSDNXBVIW-LLVKDONJSA-N 301.383 1.930 10 10 DDCE COC[C@H]1CCCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2065064004 LZZGZRQNMCCDKO-NSHDSACASA-N 304.350 1.242 10 10 DDCE CS(=O)(=O)c1cnn(Cc2c(O)cccc2Cl)c1O 2070259986 QDCVUFMIWFOGTE-UHFFFAOYSA-N 302.739 1.400 10 10 DDCE O=c1nc(CNCc2cc(Br)cc(F)c2O)[nH]o1 2052633049 ZLDTZXJMUYNRHX-UHFFFAOYSA-N 318.102 1.260 10 10 DDCE CN1C[C@H](N(C)Cc2c(O)cccc2Br)CC1=O 2068196177 MPAVYMXCZYGEQN-SECBINFHSA-N 313.195 1.817 10 10 DDCE O=C(CN1CCCC[C@H]1C1OCCO1)c1ccc(O)c(O)c1 2108839328 XMOKQYDUWYYGEI-LBPRGKRZSA-N 307.346 1.508 10 10 DDCE CC1([C@H]2CCCCN2C(=O)c2cccc(O)c2O)OCCO1 2089564910 GYECGICXAYSHQM-CYBMUJFWSA-N 307.346 1.856 10 10 DDCE [N-]=[N+]=NC1CN(C(=O)CCNC(=O)OCc2ccccc2)C1 2209049577 RYRNVNRWIAHTPT-UHFFFAOYSA-N 303.322 1.824 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@H](CO)C2CC2)s1 2256942250 WKBSTUCVESCBMP-SECBINFHSA-N 308.450 1.055 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H]3C[C@]3(C(=O)O)C2)s1 2284503990 ILXZWWXEBOQHFR-MADCSZMMSA-N 313.404 1.481 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NCc1nc2cccnc2[nH]1 2312438139 YBPNDDHQXQYDOD-UHFFFAOYSA-N 310.313 1.699 10 10 DDCE C[C@](Sc1nccs1)(C(=O)O)[C@@H]1CCCS(=O)(=O)C1 2351999581 ZVGYDCMCEZGHQH-LDYMZIIASA-N 321.445 1.903 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCN(C3CC3)CC2)cc1F 105206060 HWBLSHYQEPQLKL-UHFFFAOYSA-N 320.412 1.881 10 10 DDCE COCCNCc1cc(F)c(N(C)CCN(C)C)c(F)c1 111140240 XXOYVENBBLCMAT-UHFFFAOYSA-N 301.381 1.699 10 10 DDCE CSc1nc(O)c2c(n1)NC(=O)C[C@@H]2c1ccc(O)c(O)c1 21784009 XKTSYJVDLUIIRM-SSDOTTSWSA-N 319.342 1.789 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCC(=O)NCC1CC1 182039075 BYTWBMZJOSWEOM-UHFFFAOYSA-N 318.421 1.420 10 10 DDCE COc1cc(Cl)c(N(C)C[C@@H](O)CN(C)C)c(OC)c1 2368117711 NEKKJKWEXKDJOJ-JTQLQIEISA-N 302.802 1.716 10 10 DDCE CN(Cc1ccccn1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 91456234 GRDKMDGVAWZYRV-UHFFFAOYSA-N 314.301 1.957 10 10 DDCE CO[C@@H]1CC[C@@H]2OCCN(Cc3cc4c(cc3O)OCO4)[C@H]2C1 366847848 ZSYAEIZTWNJLSP-IPYPFGDCSA-N 321.373 1.889 10 10 DDCE CCOC(=O)CN(C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 270418452 ZGTUECJASYQPJD-SOFGYWHQSA-N 322.317 1.780 10 10 DDCE C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CCN1CCO 816574570 MKQOIRAJAPYGED-JTQLQIEISA-N 302.777 1.683 10 10 DDCE Cc1cc(O)c(CN[C@H]2CCc3nnnn3CC2)c(Cl)c1 817420182 PDBUZLYLCIENAJ-JTQLQIEISA-N 307.785 1.835 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC[C@H](C(=O)O)O1 901974683 AUTPLWZIETUAFO-UONOGXRCSA-N 306.362 1.309 10 10 DDCE COC(=O)/C(C)=C\CNC(=O)NCc1cc(OC)ccc1O 918745206 GDYRZFQJBSCJDE-POHAHGRESA-N 308.334 1.319 10 10 DDCE C/C=C\[C@H](O)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 911277013 QQKQWZVSDDCPDW-UTHDXZNRSA-N 304.390 1.575 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3C[C@H](OC)C3)C2)cc1 858599527 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1.494 10 10 DDCE CCCN(CC(=O)C(=O)C[C@H]1C[C@H](N)C1)C(=O)OC(C)(C)C 1961042659 BZWAVSKIGPZKFJ-HAQNSBGRSA-N 312.410 1.899 10 10 DDCE CN(C)C[C@H](O)CNCc1cc(Br)cc(F)c1O 715743938 DBLLUFAEGZWUTG-SNVBAGLBSA-N 321.190 1.306 10 10 DDCE COCC1(C2CC2)CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 1330019967 WYARJPWCRAXSFI-XVNBXDOJSA-N 303.358 1.996 10 10 DDCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)c2nc[nH]n2)cc1C 1275517780 ZMSFCBANZRIPBG-NEPJUHHUSA-N 317.393 1.418 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1nncn1Cc1ccccc1 1293760065 NRBLXLGPCFWHRJ-UHFFFAOYSA-N 324.340 1.919 10 10 DDCE Cc1cccc([C@H](O)CNC(=O)Cc2ccc(O)c(O)c2)c1 1545647924 ZQHJRJREJOVUBE-MRXNPFEDSA-N 301.342 1.799 10 10 DDCE Cn1nccc1NC(=O)c1ccc(C2=S=C(C=O)C=C2)cc1 1626072849 SWMCPVQLMAPCKE-UHFFFAOYSA-N 311.366 1.867 10 10 DDCE NC(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)nc1 1557386564 VXNWZDYPHKZGLU-UHFFFAOYSA-N 305.721 1.470 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cccc(Cn2ccnn2)c1 1644753800 KDASRDRNJRDTOP-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE C[C@@H](NC(=O)c1sccc1-n1cnnn1)c1ccccc1O 1648887093 CWFDGYMCOVDWBL-SECBINFHSA-N 315.358 1.920 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2ccn3nccc3n2)c1 1595806240 DOYNBPXLMLASGK-JTQLQIEISA-N 312.329 1.935 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2c(O)cccc2F)nc1 1596912220 MZIMPFQLVMMBLR-UHFFFAOYSA-N 304.277 1.643 10 10 DDCE C[S@@](=O)c1ccc(CC(=O)NCc2cc(O)ccc2O)cc1 1593881048 DENHVRPYYBADKK-JOCHJYFZSA-N 319.382 1.694 10 10 DDCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@]1(O)CCOC1 1693457783 IXDUDGPVAVORKX-MRXNPFEDSA-N 318.377 1.080 10 10 DDCE COc1ccc(N2CCN(C3(CN)CCN(C)CC3)CC2)cc1 19795807 XOBGGDGSVJOTQR-UHFFFAOYSA-N 318.465 1.240 10 10 DDCE CNCc1ccc(N2CCO[C@@H](CO)C2)cc1C(F)(F)F 167386504 KQPVSJPACWSKAD-GFCCVEGCSA-N 304.312 1.622 10 10 DDCE C[C@H]1CN(c2ccc(CN)cc2Br)CC(=O)N1C 1925970961 PEFFLBCJWQWMHD-VIFPVBQESA-N 312.211 1.575 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)CCc1ccc(N)cc1 1977673387 ZNDWGKCGPJKWNR-KBPBESRZSA-N 319.405 1.983 10 10 DDCE O=C(NCCNOCc1ccccc1)c1cc(O)c(O)c(O)c1 1988129889 FCCJDUGTTWDBIA-UHFFFAOYSA-N 318.329 1.255 10 10 DDCE C[C@@H]1CN(c2ccc(CN)cc2Br)CC[S@]1=O 2004537031 DIFMEBYECAEMPI-VVVCHXIZSA-N 317.252 1.865 10 10 DDCE O=C(N=c1nc(Br)[nH]s1)c1ccc(O)c(O)c1 2001596219 YDCIPOOOCVPNFB-UHFFFAOYSA-N 316.136 1.386 10 10 DDCE NC[C@H]1C[C@H](O)CN1Cc1cc(Br)ccc1O 2014243788 LWCNDWLPSLBROG-MNOVXSKESA-N 301.184 1.049 10 10 DDCE COC1(CO)CN(c2ccc([C@H](C)N)cc2Br)C1 2039550957 AMSKMUSLIZYRNU-VIFPVBQESA-N 315.211 1.666 10 10 DDCE CC(C)[C@]12CN3C[C@](C)(CN(C1)C3c1ccc(O)c(O)c1)C2=O 2059113099 CCKXHLKWXWSHMZ-ZNXRZULTSA-N 316.401 1.959 10 10 DDCE C[C@]1(CNCc2cccc(F)c2O)CCCS(=O)(=O)C1 2194275571 AIIMULTVCRNLNI-CQSZACIVSA-N 301.383 1.836 10 10 DDCE CC[C@H](N)Cc1cnc(Sc2nnnn2CC(F)F)s1 2234017359 YWGBAXLJBFXURB-LURJTMIESA-N 320.394 1.826 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)c1ccc(OC)cc1CN 2235956949 DDBQVCKAUUWEOZ-NSHDSACASA-N 300.424 1.413 10 10 DDCE COc1ncccc1CNC(=O)C=Cc1ccc(O)c(O)c1 2307981915 DEGARCKCBNTDSE-UHFFFAOYSA-N 300.314 1.831 10 10 DDCE C[C@](O)(CNC(=O)C=Cc1ccc(O)c(O)c1)c1ccco1 2307987870 QJWFWALHWFAHRF-INIZCTEOSA-N 303.314 1.728 10 10 DDCE CN1CCC(CCNC(=O)C=Cc2ccc(O)c(O)c2)CC1 2307996540 ODIYBKLNYKOVGG-UHFFFAOYSA-N 304.390 1.959 10 10 DDCE CC(=O)NN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S 2314717665 KVSPVEOCHOAJTL-UHFFFAOYSA-N 310.356 1.350 10 10 DDCE C[C@](Sc1nccs1)(C(=O)O)[C@H]1CCS(=O)(=O)C1 2326904644 UIWKNKKNYFYMOP-OIBJUYFYSA-N 307.418 1.513 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CNC[C@H](C)C2)s1 2346568468 NIALRMORTZFAGG-PELKAZGASA-N 301.437 1.407 10 10 DDCE COC[C@H](O)CN1CCC(N[C@H](C)c2ccc(C)cc2O)CC1 186194862 ZNLHEOLKDMXFDZ-GDBMZVCRSA-N 322.449 1.823 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1893866481 SSIKINQDWBCHFZ-FIQHERPVSA-N 310.394 1.413 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)N(C)CCC(=O)O 88769869 HQAKSOQQHHQMDH-SNVBAGLBSA-N 316.379 1.036 10 10 DDCE Cc1cc(C(=O)NCCOCCO)c(C)n1-c1ccccc1 192692994 HEIZOGRCOHOVNM-UHFFFAOYSA-N 302.374 1.833 10 10 DDCE CCOC(=O)CCS(=O)(=O)N(CC)Cc1ccc(N)cc1 49064015 FTSXCVNPAYRPJL-UHFFFAOYSA-N 314.407 1.374 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CCCN3CCC[C@H]3C2)cc1 249977094 CTRKQNGWWUFHND-HNNXBMFYSA-N 309.435 1.269 10 10 DDCE CN(CC1CC1)C(=O)C(=O)NCCCSc1nccs1 806277069 OYCVKDMZGDLDGE-UHFFFAOYSA-N 313.448 1.610 10 10 DDCE O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCOC1 805227208 ZBSSPTLIRFSQGY-SNVBAGLBSA-N 315.167 1.743 10 10 DDCE Cn1nncc1CC(=O)NCc1c(O)ccc2c1CCCC2 830559489 OPIUDWRVFLOBSH-UHFFFAOYSA-N 300.362 1.258 10 10 DDCE CCN1C[C@H](CSc2ncc(C(=O)OC)s2)OC1=O 848439638 TUFFURIVLGVBLU-SSDOTTSWSA-N 302.377 1.863 10 10 DDCE COC(=O)[C@@H](NCc1ccc(N(C)C)cc1C)c1ccnn1C 843430495 YBNQCZQSHKTKLA-INIZCTEOSA-N 316.405 1.798 10 10 DDCE CCN(C)S(=O)(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 849416928 ZDOMERDWRZTLDN-GFCCVEGCSA-N 313.423 1.060 10 10 DDCE CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCc1ccc(N)cc1 842152704 IQEUZEZXMHVEKR-GJZGRUSLSA-N 319.405 1.001 10 10 DDCE COC(=O)/C(C)=C/CNC(=O)NCc1cc(Cl)ccc1O 925008418 CZYVIOAGXRAJQK-WEVVVXLNSA-N 312.753 1.964 10 10 DDCE 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306.406 1.634 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(O)(C2CCC2)CC1 1646030804 GDULIGCOOPYYMU-UHFFFAOYSA-N 305.374 1.794 10 10 DDCE COCC(=O)N(C)CC(=O)NCc1c(O)ccc2ccccc12 1645440848 PHOYAFMRAQPHTI-UHFFFAOYSA-N 316.357 1.266 10 10 DDCE CN(C)c1ccc(/C=C(\SC2=NCCC(=O)N2)C(=O)O)cc1 5795080 WTPQOUMJHNRDEQ-XFXZXTDPSA-N 319.386 1.787 10 10 DDCE CN1[C@H](CN2CCCC[C@H](CN=[N+]=[N-])C2)CCS1(=O)=O 1912194723 MFHQVOOXHRDWDB-NEPJUHHUSA-N 301.416 1.433 10 10 DDCE C[C@@H](N)C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1952196802 HPPYNRGKOOXUOP-MWLCHTKSSA-N 324.377 1.450 10 10 DDCE [N-]=[N+]=N[C@H]1CCN(C(=O)c2nnc(Br)s2)C1 1985864623 XVQQJBOZZNJEPM-BYPYZUCNSA-N 303.145 1.825 10 10 DDCE C[C@@H]1CN(c2ccc(CN)c(Br)c2)CC[S@@]1=O 2004538331 OEGOLURDLDYPRH-XLFHBGCDSA-N 317.252 1.865 10 10 DDCE CCCN[C@H](C)c1cnc(SC2=NC(=O)CC(=O)N2)s1 2159808022 UDTJPUAVCVIHCU-SSDOTTSWSA-N 312.420 1.698 10 10 DDCE CN1CCN(NCc2c(O)cccc2Br)CC1 706851996 GNSLQMHQCPWWAP-UHFFFAOYSA-N 300.200 1.407 10 10 DDCE CS[C@H]1CCN(S(=O)(=O)CCOc2ccc(N)cc2)C1 382969882 QZFYXNXCUQQJOV-ZDUSSCGKSA-N 316.448 1.415 10 10 DDCE C[C@@]1(Br)C[C@H]1C(=O)NCc1c(O)cc(O)cc1O 2065057460 SYRUAFULHKJJIE-QPUJVOFHSA-N 316.151 1.593 10 10 DDCE Cc1cc(O)ccc1NS(=O)(=O)CCC(F)(F)C(=O)O 2178760418 MHOHGQFVNJIIHF-UHFFFAOYSA-N 309.290 1.552 10 10 DDCE CC1(C)O[C@H]2C[C@H](NC(=O)Cc3ccc(O)c(O)c3)C[C@H]2O1 1598304753 VBQOHMMMUFEXHV-OJNYZHBWSA-N 307.346 1.439 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1Br 2043130133 WUPXFYQXGNHGDP-INTQDDNPSA-N 315.211 1.401 10 10 DDCE NCc1ccc(N2CCO[C@H]3COC[C@H]32)c(Br)c1 2072515508 XRQVPLRIFSQSEV-OLZOCXBDSA-N 313.195 1.512 10 10 DDCE CC[C@@H]1[C@H](COc2nnc(=N)[nH]n2)CCN1C(=O)OC(C)(C)C 2210644211 BVGUAJIDKGPOBM-VHSXEESVSA-N 324.385 1.094 10 10 DDCE C[C@@]1(CNCc2c(O)cccc2Br)CCNC1=O 2080461673 MPWDZJGUOZHGIN-ZDUSSCGKSA-N 313.195 1.771 10 10 DDCE O=C(Nc1ncncc1Br)c1cccc(O)c1O 2222487991 PIMLUBKPHDTSCP-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE CSc1ncc(CNC(=O)[C@H](N)C[C@H]2CCCO2)s1 2269094280 HNZWBCFKJZPIJV-PSASIEDQSA-N 301.437 1.378 10 10 DDCE CC(C)C[C@H](CN(C)C)NS(=O)(=O)Cc1ccc(N)cc1 49554535 VNGPLJZQOPOZIX-OAHLLOKOSA-N 313.467 1.665 10 10 DDCE CCC1(CC)CN(C(=O)c2cccc(O)c2O)CC[S@]1=O 193166446 ISOQYYBUKQLBRW-OAQYLSRUSA-N 311.403 1.861 10 10 DDCE CS(=O)(=O)C[C@H](N)c1cc(Br)cc(F)c1O 95769851 PUBMLKHXFYKMKB-QMMMGPOBSA-N 312.160 1.338 10 10 DDCE C[C@@H](C(=O)O)S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 232389687 MOQQHSBQTQPTOB-BYPYZUCNSA-N 314.146 1.914 10 10 DDCE CO[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@@H]1CCOC1 611658195 RWMFLZUXXAAIMU-MLGOLLRUSA-N 320.389 1.530 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@]3(C)CCC(=O)NC3)ccc21 281758518 FKDSVNGMOCEBCM-GOSISDBHSA-N 315.417 1.602 10 10 DDCE NC(=O)[C@@H]1CCC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 588407206 OURZOTGIVXPBRM-LWSHCTJVSA-N 304.346 1.271 10 10 DDCE O=C(O)CN(Cc1ccccc1O)C(=O)[C@@]12CCCN(CC1)C2 911483767 DINDIGYIJLXBLU-KRWDZBQOSA-N 318.373 1.291 10 10 DDCE CCOc1ccc(N(CC)C[C@@H](O)CN2CCOCC2)cc1 747682594 OTXBAWSRDXFHHH-INIZCTEOSA-N 308.422 1.605 10 10 DDCE COc1ccc(N(C)CCN(C)CC(=O)NC(C)(C)C)cc1 844398762 BUHSDVFBZKZMKW-UHFFFAOYSA-N 307.438 1.978 10 10 DDCE COc1ccc(CCNC(=O)c2cccc(O)c2O)cc1O 1148220037 MSGMJIAALRKKJN-UHFFFAOYSA-N 303.314 1.785 10 10 DDCE CN(C)c1ccc(/C=C\CNCCCNS(C)(=O)=O)cc1 840871154 CAQAIOSFFWIKKN-XQRVVYSFSA-N 311.451 1.295 10 10 DDCE CC[C@](C)(CO)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 847363530 ZPCJMDFLYWALMW-QGZVFWFLSA-N 324.396 1.687 10 10 DDCE CN(C/C=C/c1ccc(N(C)C)cc1)CCN1CCNCC1 843051676 BQUNXQPSWSXZIC-SNAWJCMRSA-N 302.466 1.603 10 10 DDCE CN1C[C@H](CCNCc2ccc(N3CCOCC3)cc2)CC1=O 922485831 JSZFAICLQVCARI-MRXNPFEDSA-N 317.433 1.481 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CSC(=O)N3)C2)cc1 855230431 DDJOBUYJFIZHLB-ZWNOBZJWSA-N 321.402 1.215 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H](C)[C@H]3[C@H]4CN[C@H]3C4)C2)cc1 925713102 IWKAFQBDYUOOCW-UKCJKJFHSA-N 301.434 1.860 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cn3cccn3)C2)cc1 855229245 LNJIYTOIXYLGNY-CYBMUJFWSA-N 300.362 1.287 10 10 DDCE CN(Cc1cc2c(cc1O)OC[C@H]2O)[C@H]1CCN(C2CC2)C1 768448612 SUEKDQPUJVTDKN-XJKSGUPXSA-N 304.390 1.487 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)C[C@@H]2CCC2(F)F)c1 866848224 FSHQSZVDDMDVQQ-JTQLQIEISA-N 321.345 1.866 10 10 DDCE CCN(Cc1ccc(F)c(F)c1O)[C@@H](C)CS(C)(=O)=O 876735766 HKYOHKIEQBQSNI-VIFPVBQESA-N 307.362 1.925 10 10 DDCE CN(C)CCn1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)cn1 779480739 IBIWVCVJIJNLPI-GQCTYLIASA-N 316.361 1.508 10 10 DDCE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCN=[N+]=[N-] 1885562863 LTLMRGLOPSIMAB-IUCAKERBSA-N 301.347 1.029 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1sccc1-n1cnnn1 1162271948 WNTKDSJPJHWANZ-UHFFFAOYSA-N 317.330 1.065 10 10 DDCE CN(CC(C)(CO)CO)c1ccc(CN)c(Br)c1 689820571 NKSZIFFCIQMZQA-UHFFFAOYSA-N 317.227 1.335 10 10 DDCE CS(=O)(=O)c1ccc(CNC(=O)c2cc(O)cs2)cn1 1177727862 RPKUBFWAWPLHML-UHFFFAOYSA-N 312.372 1.182 10 10 DDCE C[C@](O)(Cc1ccccc1)C(=O)NCc1ccc(O)cc1O 1451773857 ZPFYUJOEOKQOEJ-KRWDZBQOSA-N 301.342 1.708 10 10 DDCE CNCc1ccc(N2CC(O)(CCO)C2)c(Br)c1 2258284816 XSBUPABDUZLRDC-UHFFFAOYSA-N 315.211 1.102 10 10 DDCE COCC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC 1637199597 CGHXLAWAPWQUQG-LLVKDONJSA-N 322.321 1.157 10 10 DDCE N[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1CO 2122390374 IFMUWGCFNXPVSO-SKDRFNHKSA-N 305.205 1.841 10 10 DDCE O=C(NCc1ccccc1O)c1ccc2c(c1)C(=O)NCCO2 1566373907 LNRGQYQSPSGBNS-UHFFFAOYSA-N 312.325 1.444 10 10 DDCE CO[C@H]1COCC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 1566369402 DPGYFTCMUVCEEU-WFASDCNBSA-N 309.362 1.198 10 10 DDCE Cc1ccc(-n2cc(C(=O)NCc3ccc(O)cc3O)nn2)cc1 1570462564 ZEZSVRFLZGXTAU-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE COC(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1653162793 FBGVBIGVQJMVIG-MRXNPFEDSA-N 315.325 1.671 10 10 DDCE COCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 169813107 VRQYTDOPCZBOET-HNNXBMFYSA-N 302.378 1.338 10 10 DDCE C[C@H](NCCOCCO)c1ccc(N2CCC(O)CC2)cc1 159093693 GEWPXYMIJKLWEB-AWEZNQCLSA-N 308.422 1.307 10 10 DDCE CCN(CC)CCNC(=O)c1ccc(NN=NCC(=O)O)cc1 1860488692 GAJIGLYIQZCJSB-UHFFFAOYSA-N 321.381 1.622 10 10 DDCE CCN(CC)CCNC(=O)CCNCc1cc(C)ccc1O 1857862083 ZGPHMBCQTKGQRX-UHFFFAOYSA-N 307.438 1.638 10 10 DDCE CN(CCN=[N+]=[N-])S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 1912149779 LBQNGQVWEZIIQY-UHFFFAOYSA-N 303.275 1.665 10 10 DDCE CC(C)(C(=O)N1CCCC[C@H](CN=[N+]=[N-])C1)S(C)(=O)=O 1912147752 YYENFULOEJKDDG-SNVBAGLBSA-N 302.400 1.749 10 10 DDCE COCCNCc1ccc(N(C)CCO)cc1Br 234648394 CMDKIIOUAXKVPC-UHFFFAOYSA-N 317.227 1.614 10 10 DDCE Cc1nsc(NS(=O)(=O)CCOc2ccc(N)cc2)n1 128952222 HBZXIEIMAHVJHO-UHFFFAOYSA-N 314.392 1.249 10 10 DDCE NC[C@]1(O)CCCN(Cc2cc(Br)ccc2O)C1 2039807169 VPRZKFUBSULKOQ-CYBMUJFWSA-N 315.211 1.440 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)c1cccnc1N1CCOCC1 2062455921 PQKMBBFVTNTFOB-UHFFFAOYSA-N 315.329 1.582 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)[C@H]3COC(C)(C)O3)c2n1 2064431895 YEEAPSKJNAUDJW-GXSJLCMTSA-N 320.349 1.013 10 10 DDCE CC1(C)CNC(=O)CN1c1ccc(CN)c(Br)c1 2055554256 GVSXERBJBMZRAL-UHFFFAOYSA-N 312.211 1.623 10 10 DDCE O=C1N[C@H]2CN(Cc3ccc(Br)cc3O)C[C@H]2O1 2056806764 DOAVBGVJPGPCFX-GXSJLCMTSA-N 313.151 1.447 10 10 DDCE Nc1ccc(OCC(=O)Nc2cc(Br)ncn2)cc1 2105849602 BAPUKYVBSUKYHT-UHFFFAOYSA-N 323.150 1.839 10 10 DDCE COCC1(CNCc2cnc(SC)s2)CCNCC1 2269320744 YBBVSPUZHNAOME-UHFFFAOYSA-N 301.481 1.971 10 10 DDCE CSc1ncc(CNC(=O)c2ccc(C(N)=S)nc2)s1 2284687162 DPKOUIBPDOHQFU-UHFFFAOYSA-N 324.456 1.824 10 10 DDCE COc1cccc(C=C2SC(N3CCOCC3)=NC2=O)c1O 2294407176 LAIKYDPRNRWNIO-UHFFFAOYSA-N 320.370 1.703 10 10 DDCE Cc1ccc(CNC(=O)CCCN)c(O)c1Br 2307466765 RDMJVOONFXMFPO-UHFFFAOYSA-N 301.184 1.818 10 10 DDCE CCOC(=O)[C@](N)(CSc1nccs1)C(C)(C)OC 2340726581 AGXVXVWSGYYHEZ-GFCCVEGCSA-N 304.437 1.921 10 10 DDCE COc1ccc(N2CCC(NC(=O)NC[C@@H](C)CO)CC2)cc1 102533460 XMNQSLHYCRNTKL-CYBMUJFWSA-N 321.421 1.592 10 10 DDCE COC[C@@](C)(CCO)NCc1ccc(N2CCOCC2)cc1 304809996 WBEDYEWTBXFHGR-QGZVFWFLSA-N 308.422 1.400 10 10 DDCE CC(C)(C)OC(=O)N1CCNC[C@@H](c2cc(O)nc(O)c2)C1 1952862350 MZZLALGBLZWXPD-LLVKDONJSA-N 309.366 1.417 10 10 DDCE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1c1cc(N)ccc1O 1952908302 CKQCORGSOAGGOF-NSHDSACASA-N 307.350 1.382 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)CC[C@@H](C)O)c([N+](=O)[O-])c1 78417375 GPGTVNLSEAIDLI-OKPNEXGHSA-N 308.334 1.988 10 10 DDCE C[C@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)CCCO1 70490864 ZIWOIZDCBGHLQV-LBPRGKRZSA-N 314.407 1.088 10 10 DDCE COc1ccc(/C=C\C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 33446803 SNWSLOFPOOSCPR-PLNGDYQASA-N 300.314 1.685 10 10 DDCE Cc1nc(S(=O)(=O)N(C)c2ccc(N)cc2)c(Cl)n1C 2364199190 FEFNGYWQNDZXKZ-UHFFFAOYSA-N 314.798 1.789 10 10 DDCE CCOc1ccc(O)c(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1 245701669 DGWSTLVIRALEFV-KGLIPLIRSA-N 308.422 1.678 10 10 DDCE CCN(CC)c1ccc(CNC(=O)NCc2cnn(C)n2)cc1 804966958 HBKMCFGCJFQVDL-UHFFFAOYSA-N 316.409 1.661 10 10 DDCE COc1ccc(O)c([C@@H](C)NS(=O)(=O)CC(C)(C)OC)c1 809819891 ZYHQQVRJKISRKT-SNVBAGLBSA-N 317.407 1.806 10 10 DDCE COc1cc([N+](=O)[O-])cc([C@@H](C(F)F)N2CCNCC2)c1O 575273518 RPZMJVWGYRJCEZ-NSHDSACASA-N 317.292 1.520 10 10 DDCE O=S(=O)(C[C@H]1CCCCN1)Nc1ccc(O)cc1Cl 722249994 YPIDWSPCQPERHJ-SECBINFHSA-N 304.799 1.929 10 10 DDCE CCOc1ccc(CN2CCC(N3CC[C@H](O)C3)CC2)c(O)c1 827699105 FASDGJMRPIFDKA-INIZCTEOSA-N 320.433 1.822 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](N2CCOCC2)C1 588406593 JSNSLHQMUZJOKM-CTGSTSKSSA-N 318.373 1.044 10 10 DDCE COc1cc(Cl)cc(CN2CCC[C@](O)(CO)C2)c1O 839153770 HLHQLWICBDLQJI-CQSZACIVSA-N 301.770 1.373 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1CCC2(COC2)O1 922544921 GEROXEMYHIOJKS-KMOQFTEPSA-N 306.314 1.602 10 10 DDCE NC[C@@H](NCc1ccc(N2CCOCC2)cc1)C(F)(F)F 848715743 LDKGNAGSCPICTK-CYBMUJFWSA-N 303.328 1.502 10 10 DDCE O=C(NCc1c(O)cccc1F)C1C[C@H]2COC[C@@H](C1)C2=O 928706559 XGMXXIJCVFHCGQ-FGWVZKOKSA-N 307.321 1.389 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@](O)(C2CC2)C1 855696189 QDLLWJOLZHUXLB-GALSZHCDSA-N 303.358 1.875 10 10 DDCE COc1ccc(CNC(=O)NCC[C@H]2CC(=O)N(C)C2)c(O)c1 924750451 OYUUDZLALHKFEU-NSHDSACASA-N 321.377 1.068 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCCCCCO)C2)cc1 854300423 ZNVMHSKUEXDWBV-AWEZNQCLSA-N 321.421 1.736 10 10 DDCE COc1cccc(CNC(=O)c2cccn(C3CC3)c2=O)c1O 866763701 NBWTUZXRRJCVFL-UHFFFAOYSA-N 314.341 1.827 10 10 DDCE C[C@@H](NC(=O)N1CCOC[C@@H]1CCO)c1ccc(N(C)C)cc1 776239229 SENVRSWCSUJBLR-CJNGLKHVSA-N 321.421 1.606 10 10 DDCE COC(=O)[C@]1(O)CCN(Cc2ccc3ccccc3c2O)C1 895703768 OYIMHTAOBGVTMI-KRWDZBQOSA-N 301.342 1.655 10 10 DDCE CNC(=O)CCCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 897178452 BNYXNQVMPWOURA-UHFFFAOYSA-N 322.386 1.911 10 10 DDCE C[C@H](Sc1nncn1C)C(=O)NCc1ccc(O)cc1O 1162278479 IRJCAFLIYZRLBM-QMMMGPOBSA-N 308.363 1.023 10 10 DDCE CS(=O)(=O)c1ccc(NC(=O)c2cccc(O)c2O)cn1 1290883740 KDCRMPUZTNJEOX-UHFFFAOYSA-N 308.315 1.149 10 10 DDCE CCC(=O)N[C@@H](CC)CNC(=O)c1ccc(N=NC(N)=O)cc1 1297430475 WXFCTRTUHKNWJS-NSHDSACASA-N 319.365 1.884 10 10 DDCE CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(O)c(O)c1 1629616624 ZWVMNCLKNJCSJI-KGLIPLIRSA-N 304.390 1.726 10 10 DDCE COc1ccc(CN[C@@H](C)CN(C)C(=O)c2cnon2)cc1C 1485933449 HPHLJRRLQXFWCB-LBPRGKRZSA-N 318.377 1.637 10 10 DDCE CC(C)C[C@]1(C(=O)NCc2cc(O)ccc2O)CCNC1=O 1637129597 LTMKEUUSBKZYQQ-MRXNPFEDSA-N 306.362 1.266 10 10 DDCE Cc1ncc2n1C[C@@H](C(=O)NCc1c(O)cccc1O)CC2 1639292743 OUVHYLDRXLMVDV-NSHDSACASA-N 301.346 1.482 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cc2c(cc1O)OCO2 1645363531 ZBQSRUOATWGFHQ-UHFFFAOYSA-N 303.270 1.462 10 10 DDCE NC(=O)[C@@H]1CC[C@H](C(=O)NCc2c(O)ccc3ccccc23)O1 1645443702 SGPQFJFWUYHYSX-LSDHHAIUSA-N 314.341 1.195 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)c1cn([C@@H]2CC[C@H]2O)nn1 1644590572 FOXSMDRRHGYUHM-DGCLKSJQSA-N 322.752 1.263 10 10 DDCE C[C@H](NC(=O)c1ccccc1)C(=O)NCc1c(O)cccc1O 1652622721 GLVXQMQSHQYSMH-NSHDSACASA-N 314.341 1.533 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cccc(-n2cnnn2)c1 1651222459 GOKRBDHXEFONDO-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE CC(=O)c1cccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)c1 1857879039 SCZCDQZUUKFYJQ-UHFFFAOYSA-N 322.328 1.699 10 10 DDCE CC(=O)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)CCC1(F)F 1919243407 FJRXTWJXMGXRRJ-ZDUSSCGKSA-N 321.320 1.542 10 10 DDCE CN[C@@H](c1ccccc1O)[C@H](O)CCNC(=O)OC(C)(C)C 1920636713 XKOGZACYSRMSBA-KGLIPLIRSA-N 310.394 1.928 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NCc1cccc(O)c1O 1937555116 ZRSQERJVJMITIE-RYUDHWBXSA-N 324.377 1.480 10 10 DDCE CO[C@H](CCO)CNCc1c(O)cccc1Br 1972507010 BEIROKSDVONHHF-SECBINFHSA-N 304.184 1.642 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)N2CC(N=[N+]=[N-])C2)C1 1985094216 LTRQOQOMKHFKKS-JTQLQIEISA-N 324.385 1.107 10 10 DDCE Cn1cc(C(=O)NCCN=[N+]=[N-])c(CNC(=O)OC(C)(C)C)n1 1985103563 XIPRWFQDPFRRDN-UHFFFAOYSA-N 323.357 1.485 10 10 DDCE C[C@@H]1CCN(c2ccc(CO)cc2Br)[C@@H]1C(N)=O 2029790398 ZEZJOCJPGBDIKJ-PELKAZGASA-N 313.195 1.642 10 10 DDCE Oc1ccc(CCN=c2cc(Br)nc[nH]2)cc1O 2031081267 CMEOFTWINSUTGA-UHFFFAOYSA-N 310.151 1.727 10 10 DDCE O=c1c2c(ccn1Cc1ccc(Br)o1)CCNC2 2033378819 MADODZZPXWBYGM-UHFFFAOYSA-N 309.163 1.898 10 10 DDCE CN(Cc1cn(C)nn1)c1ccc(CN)cc1Br 689217196 FISXJRLVLPTSAB-UHFFFAOYSA-N 310.199 1.673 10 10 DDCE COCCNCc1ccc(N2CC([S@](C)=O)C2)cc1Cl 2171951937 SEMOLWGDGKWKMP-FQEVSTJZSA-N 316.854 1.643 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H](C)C3=CCN(C)CC3)c2n1 2062569771 XWHUMXGQNBZZLP-LLVKDONJSA-N 315.377 1.124 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CC=C[C@@H](O)C3)c(Br)cc21 2108777783 ABIQTKIPYDLPCR-JMCQJSRRSA-N 324.178 1.138 10 10 DDCE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2ccc(O)c(O)c2)C1 2095711444 MYZUBFDAHAYJEG-JQWIXIFHSA-N 307.346 1.711 10 10 DDCE COc1cc(OC)c(N2C[C@@H](C)O[C@@H](CO)C2)cc1Cl 2285919418 JHEBXSKLIWEKRO-NXEZZACHSA-N 301.770 1.943 10 10 DDCE Cc1ccc(CN2CCOC[C@@H]2CN)c(O)c1Br 2327551484 FLROBPKESNQDOZ-NSHDSACASA-N 315.211 1.623 10 10 DDCE Cc1ccc(CN2C[C@@H](O)C[C@H](O)C2)c(O)c1Br 2327632088 YTBZPIQLIOHSPI-QWRGUYRKSA-N 316.195 1.391 10 10 DDCE COC[C@H]1CC[C@@]1(NCc1cnc(SC)s1)C(=O)O 2349508692 QVKIEOGJRUJCQJ-PELKAZGASA-N 302.421 1.834 10 10 DDCE O=C(O)C1(Sc2nccs2)C[C@@H]2CC[C@H](C1)S2(=O)=O 2351874656 NCKOEONRZSJVLS-OQJHAAMPSA-N 319.429 1.798 10 10 DDCE CC(=O)N1CCC(CNCc2cc([N+](=O)[O-])ccc2O)CC1 105505676 MZEBBBGVOKZQIV-UHFFFAOYSA-N 307.350 1.649 10 10 DDCE CCNCc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1C 62085583 NYPATMMHUBJFSE-UHFFFAOYSA-N 311.451 1.186 10 10 DDCE CC(=O)N(C(=O)C(=O)NCc1ccco1)c1ccc(N)cc1 170318418 FZLQFDJDNGQZME-UHFFFAOYSA-N 301.302 1.058 10 10 DDCE C[C@]1(NCc2ccc(N3CCCC3)cc2)CCS(=O)(=O)C1 37276204 ZCAFKODKDVMNTI-INIZCTEOSA-N 308.447 1.954 10 10 DDCE CNS(=O)(=O)c1ccc(N)c(Sc2nccs2)c1 214841911 HAVAIJRXWMCRLS-UHFFFAOYSA-N 301.418 1.785 10 10 DDCE Cc1cc(C)n(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1 183414401 MCVSMGBQKZWLGM-SNVBAGLBSA-N 303.362 1.659 10 10 DDCE CCc1ccc([C@H](C)NC=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 78382779 GTBMHABYTFGYSD-NSHDSACASA-N 315.373 1.834 10 10 DDCE COc1cc(Cl)c(N(C[C@@H](C)O)C[C@@H](C)O)c(OC)c1 2368271346 SBRHOCCCMSYFMB-NXEZZACHSA-N 303.786 1.925 10 10 DDCE C[C@H](N)c1ccc(N2CCOC[C@H]2CO)cc1Br 235511375 BFMQXFHIFLLWTK-GXSJLCMTSA-N 315.211 1.666 10 10 DDCE CN1CCN(c2ccc(CN)c(Br)c2F)CC1 231838675 ZVORHCRDDMIQQQ-UHFFFAOYSA-N 302.191 1.799 10 10 DDCE CCC[C@H](NC(=O)Cc1ccccc1)C(=O)OCC(=O)C(C)=O 808517242 USPDSUUKZXTLBW-AWEZNQCLSA-N 319.357 1.215 10 10 DDCE COC(=O)c1ccoc1C(=O)OCC(=O)c1ccc(O)c(O)c1 800265922 DWODQXJXFUFSDW-UHFFFAOYSA-N 320.253 1.517 10 10 DDCE O=C(/C=C/[C@@H]1CCCO1)NCc1ccc(N2CCOCC2)cc1 819149706 LBOBSOYUWDONKD-OZSKJFCKSA-N 316.401 1.875 10 10 DDCE CO[C@@]1(CNS(=O)(=O)Cc2ccc(N)cc2)CCSC1 719306630 MIMQDJCGPDNHOY-CYBMUJFWSA-N 316.448 1.210 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1[C@H]2COC[C@H]21 822687486 CJKGFFDXLZPLQP-VIKVFOODSA-N 320.364 1.171 10 10 DDCE CC[C@H](O)CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 588404992 CUYQVYCPCHNZEF-SDQPKGBYSA-N 320.389 1.026 10 10 DDCE Cc1cncc(CCNC(=O)N(C)Cc2ccccc2O)n1 822835723 ZZBZPPSAPPFCTE-UHFFFAOYSA-N 300.362 1.875 10 10 DDCE O=C(NC1CCC1)c1c(-c2cncnc2)cc(=O)n2c1CCCC2 581799685 JRYFNPMYIQOGLX-UHFFFAOYSA-N 324.384 1.924 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCc2nc[nH]c2C1 831924391 HFLVHHXQVWPLIF-CMPLNLGQSA-N 315.373 1.673 10 10 DDCE CC(C)(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@H]1O 841115281 PUSHPDCTRZZCQU-UONOGXRCSA-N 319.405 1.463 10 10 DDCE Cn1nccc1CCC(=O)N(CC(=O)O)Cc1ccccc1O 911491757 RHKUTOHRNNBPMW-UHFFFAOYSA-N 317.345 1.172 10 10 DDCE C[C@@H](CN(C)CCCN(C)C)NCc1cc([N+](=O)[O-])ccc1O 850353898 POUZNLKAAZRSKG-ZDUSSCGKSA-N 324.425 1.662 10 10 DDCE CSC[C@@H]1NC(=O)N(Cc2ccc(N(C)C)cc2C)C1=O 924672953 RSFHKOBIFHSOSL-ZDUSSCGKSA-N 307.419 1.844 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCCNC3CC3)C2)cc1 851661322 JAPZTPRITPMICO-AWEZNQCLSA-N 318.421 1.325 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C3=COCCO3)C2)cc1 855234655 IHUOVOFHGKNAKB-LBPRGKRZSA-N 304.346 1.278 10 10 DDCE COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2C)C[C@@H](C)O1 862486485 CVJIQEDHBCYVHQ-CJNGLKHVSA-N 306.406 1.823 10 10 DDCE CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)OCC(=O)C(C)=O 860238496 UGUOAVUVCPKVHR-VIFPVBQESA-N 301.339 1.333 10 10 DDCE NC(=O)N1CC(CNCc2c(O)cccc2Br)C1 1875455729 PRGKSNBUTWAIPE-UHFFFAOYSA-N 314.183 1.255 10 10 DDCE CO[C@@H](C(=O)NCc1ccc(O)c(O)c1)c1ccc(O)cc1 787448514 DKNLYKURBXIGGW-OAHLLOKOSA-N 303.314 1.807 10 10 DDCE CN1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O 896057955 PTRGUODRUPLNHH-MRVPVSSYSA-N 306.343 1.273 10 10 DDCE CCOC(=O)CN(CC(C)C)C(=O)Cc1ccc(O)c(O)c1 1142428480 PLZSMCVZTWQMQG-UHFFFAOYSA-N 309.362 1.688 10 10 DDCE CCn1cc(S(=O)(=O)Nc2ccc(O)c(OC)c2)nc1C 797820408 WMWXQYQVNKNFLY-UHFFFAOYSA-N 311.363 1.726 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(c2ccc(N)cc2)C1 1960834696 PXYQWTIORQWYRS-TZMCWYRMSA-N 307.394 1.733 10 10 DDCE CCOC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCO1 1302214725 FURCZQZEKFKBHZ-ZDUSSCGKSA-N 320.349 1.727 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@]12C[C@H]1COC21CCC1 1158458093 HOVKDDSHKJSKFZ-BLLLJJGKSA-N 303.358 1.716 10 10 DDCE COc1cc(Br)cc(CN2C[C@H](C)[C@@H](O)C2)c1O 897683195 ASVDEIVOBRAPKE-KWQFWETISA-N 316.195 1.976 10 10 DDCE C/C=C(/C)C(=O)N(C)C[C@@H](O)CNCc1ccc(OC)c(C)c1 1278742638 COQJQHSQLRRYRL-DZNGUJDPSA-N 320.433 1.879 10 10 DDCE COc1ccc(CN[C@H](C)[C@@H](C)NC(=O)c2cnon2)cc1C 1275517593 XVMDJPMCYRYJCV-VXGBXAGGSA-N 318.377 1.683 10 10 DDCE COc1cccc(NC(=O)CCN2C(=O)CSC2=S)c1 1865769070 UVLVCMSVPUSPMN-UHFFFAOYSA-N 310.400 1.884 10 10 DDCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnc[nH]1 1466397693 CRMIDWWSGJEGOA-UHFFFAOYSA-N 323.736 1.584 10 10 DDCE Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cccc(O)c1O 1643812305 DDUQBMXORJEYTE-UHFFFAOYSA-N 321.264 1.657 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 1912148809 XXTHYFPZEAHDQE-MRVPVSSYSA-N 318.790 1.785 10 10 DDCE COc1cc(Cl)cc(CNCCCNS(C)(=O)=O)c1O 230979314 PIQTYPNOHJPSCC-UHFFFAOYSA-N 322.814 1.083 10 10 DDCE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980376775 ITQJXVROEQUGMG-HKUMRIAESA-N 324.421 1.898 10 10 DDCE COC(=O)[C@H](C)S(=O)(=O)N(C)[C@H](C)c1ccccc1O 49063741 RIYABDQGFYEPEJ-ZJUUUORDSA-N 301.364 1.276 10 10 DDCE CC(C)C[C@H](NS(C)(=O)=O)C(=O)NCCCCN=[N+]=[N-] 706286086 SWMSDHCVJCPHLR-JTQLQIEISA-N 305.404 1.157 10 10 DDCE CCNC(=O)NCCNCc1c(O)cccc1Br 706829177 PBZVPQWFDLFAIQ-UHFFFAOYSA-N 316.199 1.563 10 10 DDCE O=C1C[C@H](NCc2cc(Br)cc(F)c2O)CN1 715758143 IQRLRPQVMGODEU-QMMMGPOBSA-N 303.131 1.272 10 10 DDCE Cn1ncc(Br)c1CNC(=O)Cc1ccc(N)cc1 822092121 LTBZOJWBTZXONM-UHFFFAOYSA-N 323.194 1.624 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N=c3ccn(C(C)C)[nH]3)c2n1 2063969819 BMDBILITXKUJDR-UHFFFAOYSA-N 300.322 1.195 10 10 DDCE CCS(=O)(=O)[C@H]1CCN(c2ccc([C@H](C)N)cc2F)C1 2179892600 HURISULVODAMKF-JQWIXIFHSA-N 300.399 1.859 10 10 DDCE O=C1N[C@H]2CN(c3ccc(CO)cc3Br)C[C@@H]2O1 2056810681 BPMNERXMDKTREM-ONGXEEELSA-N 313.151 1.238 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CNCCSC2)s1 2257027579 UULUWJFEERUAAY-MRVPVSSYSA-N 303.478 1.434 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2c[nH]c(CO)c2)s1 2269125286 SRNVXBCATMNQLS-UHFFFAOYSA-N 319.433 1.164 10 10 DDCE CO[C@H](C[S@@](=O)CC(=O)c1ccc(O)c(O)c1)C(C)C 2284013317 QSQMYUYUSMKULV-VLIAUNLRSA-N 300.376 1.700 10 10 DDCE CCc1ccc([C@@H]2CC(=O)NC(NC(=O)c3cccnc3)=N2)cc1 20924468 AIQDFYCWXGHRFK-HNNXBMFYSA-N 322.368 1.991 10 10 DDCE CC(=O)c1cccc(S(=O)(=O)NCCc2ccc(N)cc2)c1 171531726 WMFLBKSSOFBJJW-UHFFFAOYSA-N 318.398 1.992 10 10 DDCE CCO[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)C[C@H]1CN 405576964 IYTXYXVLSHOQLR-BXUZGUMPSA-N 314.813 1.850 10 10 DDCE CCNC(=O)N1CCN(Cc2cc(OCC)ccc2O)CC1 121603370 CBKPAEBVOBKIAS-UHFFFAOYSA-N 307.394 1.638 10 10 DDCE CC[C@@H](O)CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 180759849 CUYQVYCPCHNZEF-YVARQFDVSA-N 320.389 1.026 10 10 DDCE CCN(CCN=[N+]=[N-])[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 2362982004 WRPZBRDPQNOQNH-QMMMGPOBSA-N 317.337 1.441 10 10 DDCE Cc1nc(S(=O)(=O)N2CCC[C@@H]2CN=[N+]=[N-])c(Cl)n1C 2364143199 XLSVDQBMTGRVNP-MRVPVSSYSA-N 318.790 1.845 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H]2COc3ccccc32)cc1 70528534 MMSFUZXMUDLRKW-CQSZACIVSA-N 304.371 1.822 10 10 DDCE Nc1ccc(CCNS(=O)(=O)CCc2ccncc2)cc1 40675692 VSKNQZIAJJMICN-UHFFFAOYSA-N 305.403 1.368 10 10 DDCE COc1ccc(N2CCSC[C@H]2CC(=O)O)c([N+](=O)[O-])c1 91130413 AFAPNWARFMKWFP-SECBINFHSA-N 312.347 2.000 10 10 DDCE C[C@]1(Br)C[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 528857763 OELRWGFAGZXKLN-RNCFNFMXSA-N 314.179 1.930 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccn(C)c1=O 266351036 PBOXQWBMVZTRQY-UHFFFAOYSA-N 313.357 1.491 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1cc(F)ccc1Br 808529922 YZJJLNNOMFCBOL-UHFFFAOYSA-N 317.110 1.832 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](OC1CCOCC1)c1ccccc1 808530612 ALFUNBIEQXQXIP-MRXNPFEDSA-N 320.341 1.625 10 10 DDCE C[C@@H](N)c1ccc(N2CCC[C@H]2C(N)=O)c(Br)c1 700394498 UBMDWHREYLIDRN-PELKAZGASA-N 312.211 1.923 10 10 DDCE COc1ccc(O)c(CNC(=O)c2nnn(C(C)C)c2C)c1 815834852 CHHOOFOHUOAWIS-UHFFFAOYSA-N 304.350 1.812 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2COC(C)(C)C2)cc1 826707600 VSUPQDFLLJKBCS-CYBMUJFWSA-N 319.405 1.053 10 10 DDCE COC1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 843803291 SCADYGLBUHSLOY-UHFFFAOYSA-N 318.417 1.691 10 10 DDCE CCN(CC)c1ccc(CNC(=O)CSCC(=O)O)cc1 842570334 VVNMQJDNESTIPO-UHFFFAOYSA-N 310.419 1.967 10 10 DDCE O=S(=O)(NCc1c(O)cccc1F)N1C[C@H]2CC[C@H]1C2 921452727 XOXGUJHUTKETOS-UWVGGRQHSA-N 300.355 1.350 10 10 DDCE CCO[C@H](CS(=O)(=O)N(C)Cc1ccccc1O)C1CC1 859004016 ABYJYHLAQFVTEN-OAHLLOKOSA-N 313.419 1.969 10 10 DDCE COC(C)(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 856211516 SRDUPRVKHLXBRQ-UHFFFAOYSA-N 306.406 1.689 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCOC3)C2)cc1 855230166 NWSWVLVYSSJUQL-UONOGXRCSA-N 304.390 1.817 10 10 DDCE C[C@@H]1CO[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 1119453115 RCIQNNMTKGXHCY-XJKSGUPXSA-N 304.390 1.564 10 10 DDCE O=S1(=O)CCC(CNCc2ccc(F)c(F)c2O)CC1 877121996 DWRPMAFCBJBQGO-UHFFFAOYSA-N 305.346 1.585 10 10 DDCE COc1ccc(O)cc1C(=O)NCCc1ccc(O)c(O)c1 780930360 IJKNYUDDNINLQO-UHFFFAOYSA-N 303.314 1.785 10 10 DDCE O=S1(=O)CC(C2CN(Cc3c(O)cccc3Cl)C2)C1 895428753 WHJIBDJRRDQIEK-UHFFFAOYSA-N 301.795 1.522 10 10 DDCE CN1CCN(c2ccc(CNC(=O)CC3CSC3)cc2)CC1 899212324 TVWUKJPKFPTPFG-UHFFFAOYSA-N 319.474 1.808 10 10 DDCE C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC(N=[N+]=[N-])C1 1880838003 ZDCCUZHMXMCEJQ-JTQLQIEISA-N 303.322 1.822 10 10 DDCE Cc1cc(O)ccc1NS(=O)(=O)c1scnc1C(=O)O 134714974 BQTZGOXCECPJBU-UHFFFAOYSA-N 314.344 1.656 10 10 DDCE CSc1ncc(CNC(=O)C[C@@]2(N)CCSC2)s1 2256943384 RDOPWLNGMDUSTJ-NSHDSACASA-N 303.478 1.706 10 10 DDCE CSc1ncc(CNC(=O)C2(C(N)=S)CCC2)s1 2257096268 HVTRBBRLNPMQER-UHFFFAOYSA-N 301.462 1.938 10 10 DDCE CN(C)c1nccc2c1CN(C(=O)c1cccc(O)c1O)CC2 1349607644 RLILZRLIVBLCIO-UHFFFAOYSA-N 313.357 1.757 10 10 DDCE Cn1cc(-c2nn(C)cc2C(=O)N2CCOc3ccccc32)cn1 1532891508 QTCZOYFSELYXGM-UHFFFAOYSA-N 323.356 1.860 10 10 DDCE Cc1ccc(O)c([C@H](C)NCC(C)(C)NS(C)(=O)=O)c1 109041182 XUMCXSYVJGNROY-NSHDSACASA-N 300.424 1.679 10 10 DDCE CC[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](C)[S@]1=O 1556555383 FVKDHGHSULJTHE-WOOQEGAKSA-N 311.403 1.398 10 10 DDCE Cn1nc(C(=O)NCc2c(O)cccc2F)cc1OC(F)F 1645048110 HBILQVUEQJGWNG-UHFFFAOYSA-N 315.251 1.796 10 10 DDCE O=C1CCc2cc(C(=O)NCc3cc(O)ccc3O)ccc2N1 1644752336 BEGDEFMBKCKOQN-UHFFFAOYSA-N 312.325 1.913 10 10 DDCE CCN(CC)c1ccc(CNC(=O)Cn2nccc2N)cc1 1596579112 XKIVPQOMDWGOKT-UHFFFAOYSA-N 301.394 1.628 10 10 DDCE CC[C@@H](OC)C(=O)N(C)CCNCc1ccc(OC)c(C)c1 1663841987 BIGRDJIHIFZQBD-OAHLLOKOSA-N 308.422 1.977 10 10 DDCE CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)C(F)(F)F 1598112648 KDTDCAWGOQLJPC-PRHODGIISA-N 307.268 1.458 10 10 DDCE C[C@H](NCCNS(=O)(=O)C1CC1)c1cc(F)ccc1O 1964502419 CGBJNNTYMZWORF-VIFPVBQESA-N 302.371 1.264 10 10 DDCE CCCNc1nc(Sc2nccs2)nc(-n2cncn2)n1 150289214 QLOSRMFHBGRVJI-UHFFFAOYSA-N 320.407 1.882 10 10 DDCE C[C@H](CS(=O)(=O)N(C)C)N[C@H](C)c1ccc(F)cc1O 1967464478 CSCUNNGLFCWPMU-NXEZZACHSA-N 304.387 1.462 10 10 DDCE COc1cc(Cl)cc(CNC[C@H]2CCS(=O)(=O)C2)c1O 228670346 AWWJBKNLXJPLRI-SECBINFHSA-N 319.810 1.579 10 10 DDCE Oc1c(Br)cccc1CNC[C@H]1COC[C@@H]1O 1948501017 IOQNKJRZOPRIFA-ONGXEEELSA-N 302.168 1.252 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)cc1Cl 2145074103 RGXDYLFJGCQSLE-GPCCPHFNSA-N 314.838 1.983 10 10 DDCE CN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)c1ccc(N)cc1 1993290904 CWJPZQGACPDIAR-ZDUSSCGKSA-N 323.393 1.507 10 10 DDCE CNCc1ccc(N(C)[C@H]2CS(=O)(=O)C2(C)C)c(F)c1 2153847773 DTEKXDPWTKTMBV-ZDUSSCGKSA-N 300.399 1.557 10 10 DDCE CCC[C@@H](NCc1ccc(Br)cc1O)C(N)=O 2013576292 ONFZXUIDQFCBJM-SNVBAGLBSA-N 301.184 1.898 10 10 DDCE CC(C)(C)NCc1cnc(SC2=NC(=O)CC(=O)N2)s1 2155333837 FCAIPUWFBVUJJV-UHFFFAOYSA-N 312.420 1.526 10 10 DDCE 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COc1ccc(N2CCN(C[C@H](OC)[C@H]3CCOC3)CC2)cc1 851714700 TWJARHBEGJRXNK-YJBOKZPZSA-N 320.433 1.869 10 10 DDCE O=S(=O)(CCC[C@@H]1CCOC1)NCc1c(O)cccc1F 921451908 YLCAHDBMUVSRDF-LLVKDONJSA-N 317.382 1.767 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](N)C3CCC3)C2)cc1 852843844 IHRICUXAKAYHGM-CZUORRHYSA-N 303.406 1.518 10 10 DDCE Cc1ccc(C(=O)NCCN(C)CCCN(C)C)c(O)c1O 855414518 FXWKBCNICHWQGU-UHFFFAOYSA-N 309.410 1.020 10 10 DDCE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)c1ccccc1O 867833916 HMQBLTGWKYKRRM-VIFPVBQESA-N 309.391 1.782 10 10 DDCE NC(=O)C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCO1 862535660 VCALZZBTHDQBJH-SNVBAGLBSA-N 319.188 1.775 10 10 DDCE CC(=O)N1CCO[C@@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 935466536 ZILPJGYQNNYXSB-MLGOLLRUSA-N 319.405 1.177 10 10 DDCE CSCC[C@@H](C)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1118945718 HEKPWRMOOMCFJZ-LLVKDONJSA-N 322.430 1.834 10 10 DDCE COc1cc(Cl)cc(CNCCC2CS(=O)(=O)C2)c1O 787417673 MQVKSGPPDLRVJS-UHFFFAOYSA-N 319.810 1.579 10 10 DDCE CCn1nccc1CN(CCO)Cc1cccc(OC)c1O 793306652 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1.806 10 10 DDCE CC[C@@H]1NCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 863481910 OGXPTCIBYMFEHL-JKSUJKDBSA-N 307.413 1.892 10 10 DDCE C[C@H](NC(=O)N1CCOC[C@@H]1CCO)c1ccc(N(C)C)cc1 776239228 SENVRSWCSUJBLR-BBRMVZONSA-N 321.421 1.606 10 10 DDCE COc1cc(N2C[C@H](O)CC(F)(F)C2)c([N+](=O)[O-])cc1OC 786828474 SFHRFETWMUYGLE-MRVPVSSYSA-N 318.276 1.818 10 10 DDCE CC(=O)N[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 897994831 AVRPPZMAJXQOGR-JTQLQIEISA-N 320.370 1.663 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1895032082 UIYCMEKSKQSADC-FDYHWXHSSA-N 324.421 1.945 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCOc2ncccc2C1 1153740928 PEZAJPWOPAHQAP-GQCTYLIASA-N 312.325 1.927 10 10 DDCE COc1nscc1S(=O)(=O)Nc1ccc(O)cc1N 714353944 HVKNPKUMLQSKAP-UHFFFAOYSA-N 301.349 1.240 10 10 DDCE C[C@H](NCC(C)(C)NS(C)(=O)=O)c1cc(F)ccc1O 94618235 PQCIOECVJLLEFT-VIFPVBQESA-N 304.387 1.510 10 10 DDCE CSCc1noc(CCC(=O)NCc2c(O)cccc2O)n1 1456233026 DFVBKXWIUBFFCZ-UHFFFAOYSA-N 323.374 1.593 10 10 DDCE O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1c(F)ccc(O)c1O 1458009999 SAJYLDANPHFQBG-NSHDSACASA-N 323.295 1.709 10 10 DDCE Cn1nnc2cc(C(=O)NCc3cccc(Cl)c3O)cnc21 1637227081 MPMYJKWBQVZMGI-UHFFFAOYSA-N 317.736 1.652 10 10 DDCE C[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)NCCCO 1492132212 FMEAELBLTLWUJF-NSHDSACASA-N 321.381 1.329 10 10 DDCE CN(C[C@H](O)Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 1641724765 XSEDHRNODCNAJB-OAHLLOKOSA-N 315.369 1.702 10 10 DDCE CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1586334625 WZUHNOTZZUZFPD-OLZOCXBDSA-N 320.389 1.404 10 10 DDCE O=C(N[C@H]1CCC2(C1)OCCO2)N1Cc2cccc(O)c2C1 1679546289 CBSMPMYIBSKEOQ-LBPRGKRZSA-N 304.346 1.713 10 10 DDCE CCN(CC)c1ccc(CNCC(=O)Nc2nc[nH]n2)cc1 1857855334 CTQIRPFRJUVPAW-UHFFFAOYSA-N 302.382 1.379 10 10 DDCE Cc1cccc(CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1O 1994457273 YEZFHTQDILHHJJ-GFCCVEGCSA-N 324.377 1.202 10 10 DDCE Cn1nc(Br)cc1[C@@H](O)[C@@H](N)c1ccccc1O 2031152175 CBKIQZQGQABVHZ-NWDGAFQWSA-N 312.167 1.622 10 10 DDCE CNCc1ccc(N2C[C@@H](O)C(F)(F)C2)c(Br)c1 2034605376 ZOUJMBDTVCEBFQ-LLVKDONJSA-N 321.165 1.985 10 10 DDCE Oc1ccc(Br)cc1CN1CCO[C@@H]2CNC[C@H]21 686539193 PBEJDNXALFRTOZ-DGCLKSJQSA-N 313.195 1.327 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCN(c2ccc(CN)cc2F)C1 380762263 PSMCFXJNZIGEAQ-GFCCVEGCSA-N 300.399 1.545 10 10 DDCE C[C@@H]1CN(C)C[C@H](C(=O)NCc2c(O)ccc3ccccc23)O1 2062366996 DEXAHCTXJGUKBG-SJKOYZFVSA-N 314.385 1.881 10 10 DDCE OC[C@]1(CNCc2c(O)cccc2Br)CCCO1 2073631187 GAIHSXKNEKSQBL-CYBMUJFWSA-N 316.195 1.786 10 10 DDCE C[C@@H]1C[C@@H](COc2nnc(=N)[nH]n2)CCN1C(=O)OC(C)(C)C 2210648742 DAZKOFOAEIAJEI-ZJUUUORDSA-N 324.385 1.094 10 10 DDCE CN1CC2(CCN2c2ccc(CN)c(Br)c2F)C1 2222703312 IKWWLTRUZPEMTQ-UHFFFAOYSA-N 314.202 1.941 10 10 DDCE CCCOCCS(=O)(=O)CCCOc1ccc(N)cc1 2238125244 DBLBJIOSNWKLJI-UHFFFAOYSA-N 301.408 1.879 10 10 DDCE CC[C@H]1C[C@@]1(NC(=O)NCc1cnc(SC)s1)C(=O)O 2284552788 AUHMAHZTSADTGM-MADCSZMMSA-N 315.420 1.918 10 10 DDCE CCC[C@@]1(C)C(=O)NCCN1C(=O)C=Cc1ccc(O)c(O)c1 2310809043 XGDADYCTFBFJDB-KRWDZBQOSA-N 318.373 1.628 10 10 DDCE CCn1cc(C=C2SC(N3CCN(C)CC3)=NC2=O)cn1 2328652415 GBSOMQCJXLRAAT-UHFFFAOYSA-N 305.407 1.121 10 10 DDCE Cc1ccc(CNC(=O)[C@H]2CC[C@H]2N)c(O)c1Br 2327790664 WFMOGPJBZGBYLX-VHSXEESVSA-N 313.195 1.817 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)cc1Cl 2336464638 GIECTQXPMTZWAB-VYUIOLGVSA-N 301.795 1.627 10 10 DDCE CCOc1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc1OCC 59861471 KICAJWICTUYTGF-DHZHZOJOSA-N 318.329 1.576 10 10 DDCE Cc1ccc(C(=O)NCCc2c(C)nn(C)c2C)c(O)c1O 179423019 ZFGJDSPGTVJMBF-UHFFFAOYSA-N 303.362 1.729 10 10 DDCE COc1ccc(N2CCN(Cn3ccnc3S)CC2)cc1 173290461 AJNOIIXQQXQSFB-UHFFFAOYSA-N 304.419 1.960 10 10 DDCE C[C@@H](NS(=O)(=O)CCOc1ccc(N)cc1)c1ccco1 70490619 KGLORTUGOWFOEL-LLVKDONJSA-N 310.375 1.921 10 10 DDCE [N-]=[N+]=NCCNC1(C(N)=O)CCN(Cc2ccccc2)CC1 380885124 NBTLQNFVOBPZEL-UHFFFAOYSA-N 302.382 1.406 10 10 DDCE C[C@H](NC(=O)c1cccc(O)c1O)c1nnc2n1CCCC2 193137362 JULQKKGESUFMNW-VIFPVBQESA-N 302.334 1.517 10 10 DDCE Cn1cc(CC(=O)NCCc2ccc(O)c(O)c2)c(Cl)n1 815834107 SSFKYGBGLWERQJ-UHFFFAOYSA-N 309.753 1.386 10 10 DDCE CO[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H]1CCOC1 832436156 HLTLOVHASQBVPQ-NOLJZWGESA-N 306.406 1.981 10 10 DDCE CN(C)c1ncccc1CNC(=O)/C=C\c1ccc(O)c(O)c1 588403498 KRGJHDWUCGERBP-VURMDHGXSA-N 313.357 1.888 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)[C@@H](C)N)cc1 846176839 JBTRNOADNNYQDS-OLZOCXBDSA-N 308.426 1.509 10 10 DDCE Cc1ccc(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)c(O)c1O 848363013 ABDFBGQYQOVTFN-SNVBAGLBSA-N 306.318 1.119 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc(CO)cc1Cl 696847828 PGRYXIYEHZLOAT-CHWSQXEVSA-N 319.810 1.081 10 10 DDCE O=C(NCCOC1CCOCC1)N1Cc2cccc(O)c2C1 927504295 JUQVQWOBUNUFBG-UHFFFAOYSA-N 306.362 1.613 10 10 DDCE COc1cccc(CNC(=O)Nc2ccc(C(N)=O)nc2)c1O 764300345 YZUXCDLJUPRXFQ-UHFFFAOYSA-N 316.317 1.216 10 10 DDCE COc1cccc(CNc2c3c(nc4ncnn24)CCC3)c1O 865501569 BIHNFCKGAYCPAZ-UHFFFAOYSA-N 311.345 1.939 10 10 DDCE CN(C)c1cc(F)c(CN2CCN(C3CC3)C(=O)C2)cc1F 862246038 GVHOXIWABMOCRI-UHFFFAOYSA-N 309.360 1.837 10 10 DDCE C[C@@H](NC(=O)N[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1 776129244 VQNBOFSCCPDPRO-RISCZKNCSA-N 304.394 1.391 10 10 DDCE COC(=O)c1c(CN2C[C@@H]3C[C@@]3(O)C2)c2cc(F)ccc2n1C 895644528 CFOQLTRNDAJZCD-DYZYQPBXSA-N 318.348 1.671 10 10 DDCE CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)c2cccc(O)c2O)C1 898546626 RQKWGYLIOOUERS-SKDRFNHKSA-N 311.309 1.461 10 10 DDCE COc1ccc(N2CCN(CCC(=O)N(C)OC)CC2)cc1 799107941 UFLXQPBCHSPYPW-UHFFFAOYSA-N 307.394 1.227 10 10 DDCE CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cn1 797820065 DTAJJISPBGHTLO-UHFFFAOYSA-N 324.358 1.995 10 10 DDCE CCOc1ccc(N2CCN(S(=O)(=O)CC3CC3)CC2)cc1 1188964917 LXNBENLIZRJWSV-UHFFFAOYSA-N 324.446 1.947 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1C(=O)NCCN=[N+]=[N-] 1885557887 VXBCPQNRXDZCKM-DTWKUNHWSA-N 301.322 1.760 10 10 DDCE C[C@@H](CNCCCO)CNC(=O)c1ccc(N=NC(N)=O)cc1 1319285104 KPHXEXBCMLYZKT-NSHDSACASA-N 321.381 1.187 10 10 DDCE CC[C@@H]1[C@H](C)CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1329859607 PNVQBTLYWAUYQO-BXUZGUMPSA-N 302.374 1.881 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cccc2c1OCCO2 1178912442 UDIHDMPEWOCBKB-UHFFFAOYSA-N 301.298 1.799 10 10 DDCE COc1ccc(CN(C)CC(C)(C)S(C)(=O)=O)c(O)c1 93772777 HVPGYUWBVLIGSJ-UHFFFAOYSA-N 301.408 1.656 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCCCN=[N+]=[N-] 1963700421 YRRCBIOSEXXGRL-VIFPVBQESA-N 301.347 1.079 10 10 DDCE COC(=O)[C@@H](CC(C)(C)C)NC(=O)Cc1ccc(O)c(O)c1 1627401845 AOPXHGQZFYKBJD-LLVKDONJSA-N 309.362 1.734 10 10 DDCE O=C(Nc1ccc(-n2c(O)nnc2O)cc1)c1cc(O)cs1 1568747473 PAEJHYPNCDJGFI-UHFFFAOYSA-N 318.314 1.698 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)C2=COCCO2)cc1C 1662155502 BLOZTFWWWHFADJ-ZDUSSCGKSA-N 320.389 1.486 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cccnc1OCCO 1596916922 QXZLRBWDQVIKLQ-UHFFFAOYSA-N 306.293 1.227 10 10 DDCE CN(CCN=[N+]=[N-])S(=O)(=O)c1cc(Br)nn1C 1912205596 POEFBGIPSJBZNK-UHFFFAOYSA-N 323.176 1.113 10 10 DDCE NCc1ccc(N2Cc3cc(O)nnc3C2)cc1Br 2141182630 YTVOBSYWYUXDKL-UHFFFAOYSA-N 321.178 1.924 10 10 DDCE COC[C@@](C)(CO)CNCc1c(O)cccc1Br 1926960275 RXGPCQXNKRBFMT-CYBMUJFWSA-N 318.211 1.889 10 10 DDCE C[C@H]1CN(c2ccc(CN)c(Br)c2)CC[S@]1=O 2004538329 OEGOLURDLDYPRH-HUTHGQBESA-N 317.252 1.865 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC[C@H]3[C@H](C2)C3(F)F)cc1 2152119891 BJRQMYOHPSRKTJ-RYUDHWBXSA-N 302.346 1.686 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@@H](C)CCS(C)(=O)=O)cc1O 2160760846 SRYRGFMEDMWSCM-QWRGUYRKSA-N 301.408 1.705 10 10 DDCE Oc1cccc(Br)c1CN1C2COCC1COC2 707145768 GXMRJOVNRQYUSD-UHFFFAOYSA-N 314.179 1.754 10 10 DDCE C[C@@H]1NC(=O)CC[C@@H]1NCc1ccc(Br)cc1O 691391925 NKDMCEROQWYRRW-KWQFWETISA-N 313.195 1.911 10 10 DDCE CCCN(C(=O)c1cnn2c(O)cc(C)nc12)[C@@H]1CCN(C)C1 2063992727 RSGLVGNMXWJEEW-GFCCVEGCSA-N 317.393 1.300 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCO[C@H]4CCCC[C@H]43)c2n1 2064081782 PXVPIEPPFOVDFT-OLZOCXBDSA-N 316.361 1.527 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H](C)CC3(O)CCC3)c2n1 2065021161 VNESTPJVYNSGPA-SNVBAGLBSA-N 304.350 1.167 10 10 DDCE O=C(O)C1(CO)CN(Cc2ccc(Br)cc2O)C1 2081041969 IBTSAQRGOGPEFK-UHFFFAOYSA-N 316.151 1.034 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2[C@@H](C(=O)O)C2(C)C)s1 2284509777 XRYJJPICZANXCQ-JGVFFNPUSA-N 315.420 1.773 10 10 DDCE COC(=O)[C@@H](C)CS(=O)(=O)N[C@@H](C)c1ccccc1O 867834428 ODGLLNXKBFEEDH-UWVGGRQHSA-N 301.364 1.182 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)CS[C@H]1CCS(=O)(=O)C1 2337779159 HPSYCPDQLJPTPM-VIFPVBQESA-N 306.413 1.066 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1893864447 MXHNCMKCXWNHMC-IJLUTSLNSA-N 310.394 1.509 10 10 DDCE COC(=O)[C@H]1C[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 75160100 QIOPWCSFIZXSCN-STQMWFEESA-N 303.358 1.696 10 10 DDCE COCCN([C@@H](C)COC)S(=O)(=O)Cc1ccc(N)cc1 42601811 MGZQQJQHGHIACG-LBPRGKRZSA-N 316.423 1.082 10 10 DDCE Cn1ccc(C(=O)NCc2cc(Br)ccc2O)n1 804738638 YEYSOBDQCNVGFW-UHFFFAOYSA-N 310.151 1.818 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CNC[C@@H]2CCCCN2CCO)c1 824583712 PCJQEZVKNWPFLY-AWEZNQCLSA-N 309.366 1.237 10 10 DDCE CCN(CC)c1ccc(CNC(=O)CCOC2CNC2)cc1F 829038339 DTFAFJSZBZMHNW-UHFFFAOYSA-N 323.412 1.667 10 10 DDCE O=C(N[C@H]1CCCN(c2ncccn2)C1)c1cc(O)cs1 731871574 IYGYHQSUUDOHKN-JTQLQIEISA-N 304.375 1.643 10 10 DDCE COC(=O)CCNC(=O)CCN[C@@H](C)c1cc(OC)ccc1O 839540096 QXNNRORVBYHAQZ-NSHDSACASA-N 324.377 1.121 10 10 DDCE CN(C)c1ccc(CNC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)cc1 739484387 DVGCTRSMKKCBLB-GOOCMWNKSA-N 316.401 1.611 10 10 DDCE COc1ccc(N(CC(C)C)C[C@H](O)CN2CCOCC2)cc1 747684319 YPVDBVKTJJKQOF-QGZVFWFLSA-N 322.449 1.851 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCCO)C2)cc1 853846981 ZPLXVBAWVIHTNG-KBPBESRZSA-N 321.421 1.734 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](C)n3ncnc32)c1 853736600 HTOZLBWQICTWDT-CABZTGNLSA-N 317.349 1.498 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCCCN(C)C)C2)cc1 853211374 UETMHGUFRIXWPE-AWEZNQCLSA-N 320.437 1.525 10 10 DDCE Cn1cc(S(=O)(=O)NCc2ccccc2O)c(C(C)(C)C)n1 866830868 YHJNPSCXTISBJF-UHFFFAOYSA-N 323.418 1.902 10 10 DDCE CCOC(=O)C1=CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 863938216 AVQBESCMPYAFAK-SECBINFHSA-N 309.293 1.619 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)B(O)OC2 863869726 RHEUDZQGPHJBRG-UHFFFAOYSA-N 324.189 1.243 10 10 DDCE COC(=O)c1cc(OCCn2ccccc2=O)ccc1N(C)C 865395887 DXPMRVYIFBHZSB-UHFFFAOYSA-N 316.357 1.780 10 10 DDCE CCOC(=O)[C@@H](CC1CC1)NC(=O)/C=C/c1ccc(O)c(O)c1 779530606 KGYFVOBMEHPZKR-STMXVASLSA-N 319.357 1.959 10 10 DDCE C[C@H](NC[C@@H](O)CN1CCCC1=O)c1ccc(N(C)C)cc1 772949529 BIBZKZGUDCEVKL-XJKSGUPXSA-N 305.422 1.387 10 10 DDCE O=C(NC[C@]1(O)CCOC1)c1cc2cc(O)c(O)cc2s1 897211234 PMWPIPAUBUJWQF-CQSZACIVSA-N 309.343 1.194 10 10 DDCE CC(=O)C(=O)COC(=O)c1sc([C@H]2CCCOC2)nc1C 796221418 JSSJHUKEYWGCPO-JTQLQIEISA-N 311.359 1.660 10 10 DDCE CC(C)(C)OC(=O)N1CC(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1961042640 BIKYUVCKLWCACB-UMSPYCQHSA-N 310.394 1.509 10 10 DDCE C[C@H](NC(=O)CCCn1c(O)nnc1O)c1ccccc1O 1151899238 BGLNEEPVBXATFS-VIFPVBQESA-N 306.322 1.053 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCCCCN=[N+]=[N-] 1885562147 BCHWOKWGDHWPRH-SECBINFHSA-N 301.347 1.079 10 10 DDCE COCCOC1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 1162823184 GWLFOLNPXYIJIO-UHFFFAOYSA-N 312.322 1.464 10 10 DDCE O=C(O)CN(CCO)Cc1cc(Br)ccc1O 1963594542 CORPNXBJYOXPLM-UHFFFAOYSA-N 304.140 1.034 10 10 DDCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1ccncc1Br 703788373 WDGCNZQHDUIFBW-VIFPVBQESA-N 314.143 1.958 10 10 DDCE CO[C@H](C)CNC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1321761261 ZXIDXJBKIHAVRT-GHMZBOCLSA-N 321.381 1.592 10 10 DDCE CN1CC(CNCc2cc(Br)cc(F)c2O)C1 715819017 RUFDZDCKLSRXPD-UHFFFAOYSA-N 303.175 1.945 10 10 DDCE O=C(CCN1C(=O)CSC1=S)NCCc1ccc(O)cc1 1865764980 KLNJCHCSCGBKLB-UHFFFAOYSA-N 324.427 1.301 10 10 DDCE CO[C@H]1COC[C@H]1NC(=O)NCc1cccc(Cl)c1O 1615572729 JQJPXNJEBGBTSD-MNOVXSKESA-N 300.742 1.259 10 10 DDCE Cn1cc([C@@H](O)CNC(=O)c2ccc(N=NC(N)=O)cc2)cn1 1545529089 DBOBSOWWCLJOBT-LBPRGKRZSA-N 316.321 1.046 10 10 DDCE COc1cc(C(=O)N[C@@H](C)CN(C)C(=O)C(C)C)cc(OC)n1 1738793806 WVAPSNOWLJNHNH-NSHDSACASA-N 323.393 1.332 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC(C(C)(C)O)C2)c([N+](=O)[O-])c1 1772923931 DSYUKASIUPTVFH-ALCCZGGFSA-N 320.345 1.988 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1912187161 IGKNKHXMONPBGV-GHMZBOCLSA-N 300.384 1.360 10 10 DDCE CN[C@@H](c1ccc(N(C)C)cc1)[C@@H](O)CNC(=O)OC(C)(C)C 1977944970 LBOMUQBKNUEBGS-GJZGRUSLSA-N 323.437 1.899 10 10 DDCE O=C1Nc2cc(N3CC[C@H](O)[C@@H](F)C3)c(Cl)cc2[C@H]1O 2144565676 BTNQRJHIMBQEGZ-KPXOXKRLSA-N 300.717 1.235 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](CO)C2)cc1Br 316549257 MFUIVOZXGZHLSC-RWEMILLDSA-N 315.211 1.258 10 10 DDCE CN1C(C)(C)[C@H](NCc2c(O)cccc2F)CS1(=O)=O 2160778028 KVTZHWRMFUCDEI-GFCCVEGCSA-N 302.371 1.043 10 10 DDCE CN[C@H](C)c1ccc(N(C)[C@H](C)CS(C)(=O)=O)c(F)c1 688547189 HJKSOOUBLMFUCC-GHMZBOCLSA-N 302.415 1.975 10 10 DDCE COc1cc(Cl)cc(CN2CC[C@H](N)[C@@H](CO)C2)c1O 2178902260 DWDNTHUZRASYJB-PWSUYJOCSA-N 300.786 1.196 10 10 DDCE CO[C@@H]1COC[C@H]1N(C)c1ccc(CN)c(Br)c1 2057140252 AQMQDLKZLFSRQL-CHWSQXEVSA-N 315.211 1.758 10 10 DDCE O=C(O)CN1C(=O)C(=C2OC(=O)c3ccccc32)SC1=S 2297478171 AMZQKFHMGHQECY-UHFFFAOYSA-N 321.335 1.471 10 10 DDCE CS(=O)(=O)[C@H]1CC[C@H](Sc2ncc(CCN)s2)C1 2319423721 VKRHDHNSPZSDTR-WPRPVWTQSA-N 306.478 1.702 10 10 DDCE CO[C@](C)(CO)CNCc1ccc(C)c(Br)c1O 2327630001 HETGWNGQMWIMND-ZDUSSCGKSA-N 318.211 1.950 10 10 DDCE Cc1ccc(N/C=C2\C(=O)NC(=S)N(C)C2=O)cc1Cl 104938565 RGOYKIFDHYCNJR-RMKNXTFCSA-N 309.778 1.817 10 10 DDCE CS(=O)(=O)N[C@@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 54468894 VBVDNDONDUBJMK-OAHLLOKOSA-N 324.446 1.395 10 10 DDCE CC(C)[C@H](C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 172409973 ZHRAPOARZVAXDB-SNVBAGLBSA-N 314.407 1.786 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CCN2CCC[C@@H]2C1 179547498 SCMNEZOYTMEAMW-GOSISDBHSA-N 301.434 1.803 10 10 DDCE CC(=O)NC[C@H]1CN(Cc2cc(Cl)cc(C)c2O)CCO1 180284042 RFCGNGGFXHUGJL-AWEZNQCLSA-N 312.797 1.691 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1cc(Br)ccc1F 808529773 SHPARJASURYSQM-UHFFFAOYSA-N 317.110 1.832 10 10 DDCE COc1ccc2c(c1)C[C@H](C(C)C)CN2CC(=O)NC(N)=O 817298238 JACATZKJEATJEO-LBPRGKRZSA-N 305.378 1.525 10 10 DDCE C[C@H](NC(=O)N1CCCO1)c1ccc(N2CCOCC2)cc1 812013603 AZOITAWSIKPIOB-ZDUSSCGKSA-N 305.378 1.931 10 10 DDCE CN(C)c1ccc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)cc1 825200335 CYWKOOLQJIWQJV-HZPDHXFCSA-N 308.447 1.904 10 10 DDCE COC[C@@]1(C(=O)NCc2ccc(N(C)C)c(F)c2)CCOC1 825510507 ABZSGTGNXKUTKA-INIZCTEOSA-N 310.369 1.561 10 10 DDCE CC1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]2COC[C@H]2O1 846625136 UZYDWOHGVKHUKH-YABQJVKDSA-N 319.357 1.516 10 10 DDCE NCC(F)(F)CC(=O)NCc1ccc(N2CCOCC2)cc1 846672364 GAZCSVLXLIBETI-UHFFFAOYSA-N 313.348 1.124 10 10 DDCE COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855227086 WEXGLAPYDXSREC-BYCMXARLSA-N 318.373 1.199 10 10 DDCE CN(CC1(C)COC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 858706241 PDHXQZCTVDSWJU-UHFFFAOYSA-N 307.306 1.398 10 10 DDCE O=C(NCC[S@@](=O)CC(F)(F)F)c1cc(O)cs1 855265624 AZOLBKJFCGVBFI-GOSISDBHSA-N 301.311 1.495 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CSCN3)C2)cc1 852901054 ZJEUBPOSHSTWFY-FZMZJTMJSA-N 307.419 1.053 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cccn(C2CC2)c1=O 866770516 XXRVXNQHCSXROK-UHFFFAOYSA-N 300.314 1.524 10 10 DDCE O=C(NCc1cc(Cl)cc(Cl)c1O)C1CS(=O)(=O)C1 868357631 CKLLKQMRYKJABT-UHFFFAOYSA-N 324.185 1.360 10 10 DDCE CN(C)c1ccc(CNC(=O)CC[C@@H]2CC[C@H](C(N)=O)O2)cc1 864573258 HOQDVAHXOLDVKH-LSDHHAIUSA-N 319.405 1.182 10 10 DDCE O=C(CSc1nnnn1C1CC1)N1Cc2cccc(O)c2C1 871198654 MFGNPKCIGQZPEN-UHFFFAOYSA-N 317.374 1.348 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCC[C@@H](O)C(F)(F)F 779520802 VSXPAAAXLFXAQN-CJHWANRJSA-N 305.252 1.541 10 10 DDCE COc1ccc(N2CCC(NC(=O)N(C)CCCO)CC2)cc1 799569839 BQNKOELMASXWBD-UHFFFAOYSA-N 321.421 1.688 10 10 DDCE CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C 1149735641 OCCRMHQGGQHNIX-LLVKDONJSA-N 309.362 1.877 10 10 DDCE CNC(=O)NC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 1179687486 XQQLDDYKUSZDLD-HWKANZROSA-N 319.361 1.031 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@@H]1CC(c2ccccc2)=NO1 1304051636 ZJBGKNNOPGRLPW-INIZCTEOSA-N 312.325 1.907 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(O)cc1O 1162278447 IEADXARFWPSTRJ-QHHAFSJGSA-N 301.298 1.839 10 10 DDCE Cn1nc(C(=O)NCc2cccc(O)c2O)cc1OC(F)F 1176566267 SNVLMSBDPFABBE-UHFFFAOYSA-N 313.260 1.363 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn2nccc2n1 1447560658 GEXDBOIBSFUSBM-SNVBAGLBSA-N 312.329 1.502 10 10 DDCE Cn1nccc1C[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1472415200 SAYYLSWVDGMZTE-AWEZNQCLSA-N 315.373 1.608 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-n2nccn2)nc1 1625072090 KRYPAWNIRMVBGP-UHFFFAOYSA-N 311.301 1.255 10 10 DDCE C[C@@]1(C(N)=O)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1625958868 YJGJVCRVNVSSSZ-CQSZACIVSA-N 303.322 1.187 10 10 DDCE NC(=O)CCC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 1558960230 BIQLMUKFWOQIIZ-UHFFFAOYSA-N 310.325 1.355 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[C@H](O)[C@H](O)CC2)cc1 1638745999 KPPBLWCJKRKKEI-LMKPVCQUSA-N 320.349 1.243 10 10 DDCE O=Cc1cccc(OCCC(=O)NCc2cc(O)ccc2O)c1 1644754471 YGEDCDWHKANPKQ-UHFFFAOYSA-N 315.325 1.996 10 10 DDCE O=C(C[C@@H]1C(=O)Nc2ccccc21)NCc1cc(O)ccc1O 1644752708 QSQIPXUSDZTWOU-ZDUSSCGKSA-N 312.325 1.840 10 10 DDCE CCN1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C(C)(C)C1 1645341440 OWNZBUKZQNCJHD-LYASGUKUSA-N 304.390 1.958 10 10 DDCE O=C(CN1Cc2ccccc2C1=O)NCc1ccc(O)cc1O 1570462341 POTHWBDMDGJKHM-UHFFFAOYSA-N 312.325 1.370 10 10 DDCE Cn1ncc(C(F)(F)F)c1C(=O)NCc1c(O)cccc1O 1652628319 ACNXPZODYDXYBE-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE COc1ccccc1[C@@H](O)C(=O)NCc1cc(O)ccc1O 1593882457 YBNJDUPHGAFXAL-OAHLLOKOSA-N 303.314 1.456 10 10 DDCE COCCNCc1ccc(N2CCO[C@@H](CO)C2)c(Cl)c1 167301686 HMVPGVMSKXHEIF-CYBMUJFWSA-N 314.813 1.274 10 10 DDCE COc1cc(CNCc2ccccn2)ccc1N1CCNCC1 211633398 LKHZDUONRNTTII-UHFFFAOYSA-N 312.417 1.790 10 10 DDCE Cc1cc(OCc2ccc(N)cc2)cc(=O)n1CCC(=O)O 1857923181 POIHLGNTASGZNW-UHFFFAOYSA-N 302.330 1.793 10 10 DDCE Cc1nnc(NS(=O)(=O)CCOc2ccc(N)cc2)s1 123490251 GPZNPFFLIIFDQL-UHFFFAOYSA-N 314.392 1.249 10 10 DDCE OC[C@@H]1COC[C@H]1NCc1c(O)cccc1Br 1942687940 KEJJNXSFAPFHPK-LDYMZIIASA-N 302.168 1.252 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H]1c1cc(O)c(O)c(O)c1 1952453094 UFAFRJGRHLHQNN-UWVGGRQHSA-N 310.350 1.813 10 10 DDCE CN(CCN(C)S(C)(=O)=O)Cc1cc(Cl)ccc1O 1971682294 AAROFIJTVRWHKX-UHFFFAOYSA-N 306.815 1.369 10 10 DDCE CC(=O)C(=O)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]2CCCC[C@@H]21 1975310180 AIUOTJDOIGTVBJ-OZVIIMIRSA-N 311.378 1.685 10 10 DDCE CC(=O)c1cc(Cl)cc(CN(C)CC(CO)CO)c1O 2150466426 BBHWXQJQKUXUGB-UHFFFAOYSA-N 301.770 1.281 10 10 DDCE CN(C[C@H]1CCS(=O)(=O)C1)c1ccc(CN)c(F)c1F 2148792139 WGIMCSGBXAZFHQ-SECBINFHSA-N 304.362 1.294 10 10 DDCE C[C@@H](C[C@H]1CCCS1(=O)=O)NCc1cccc(F)c1O 2156773510 WRQBTIRPSSWNJJ-CMPLNLGQSA-N 301.383 1.977 10 10 DDCE [N-]=[N+]=NCCCNC1(C(N)=O)CCN(Cc2ccccc2)CC1 309585005 VJUQZJQRKNAGIC-UHFFFAOYSA-N 316.409 1.797 10 10 DDCE CCCS(=O)(=O)C[C@@H](C)NCc1ccc(O)c(O)c1O 2170594612 PPTZQWWJCQDVES-SECBINFHSA-N 303.380 1.106 10 10 DDCE O=C1Nc2cc(N3CCO[C@H](CF)C3)c(Cl)cc2[C@@H]1O 2172041101 KKXFROGAIMUTEQ-KRTXAFLBSA-N 300.717 1.500 10 10 DDCE COc1cccc(O)c1[C@@H](C)NC[C@H]1COC2(CCOCC2)O1 2062266570 BXCUJTXOYVVDDR-OLZOCXBDSA-N 323.389 1.974 10 10 DDCE CC(C)OC(=O)NS(=O)(=O)N[C@H](C)c1ccccc1O 2192622917 CPFDTIXXMAIMKG-SECBINFHSA-N 302.352 1.422 10 10 DDCE NCc1ccc(N2C[C@@H]3OC(=O)N[C@@H]3C2)cc1Br 2056816932 URULMIVAYFMAHP-MNOVXSKESA-N 312.167 1.205 10 10 DDCE Nc1cc2c(cc1N1CCCC[C@@H]1C1OCCO1)OCCO2 2089563709 SCXCPNGEWPUJBB-GFCCVEGCSA-N 306.362 1.772 10 10 DDCE NCc1cc(F)c(N2C[C@H](O)C[C@@H](F)C2)cc1Br 2219180552 LYPAIXPCVPFCIW-RKDXNWHRSA-N 321.165 1.956 10 10 DDCE COC(=O)C1(CS(=O)(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])CC1 2290102500 WIAHDEPDRPLDPA-IUCAKERBSA-N 302.356 1.090 10 10 DDCE CSc1ncc(CN2C(=O)NC(=O)[C@H](C3CC3)C2=O)s1 2284665244 KOVSPPDGRKKBMF-QMMMGPOBSA-N 311.388 1.470 10 10 DDCE COc1cc(OC)c(N2C[C@@H](O)[C@H](N(C)C)C2)cc1Cl 2285865962 BWKJKTRWFUXTDM-VXGBXAGGSA-N 300.786 1.468 10 10 DDCE Cc1ccc(CN(C)C[C@@H](N)CO)c(O)c1Br 2307465357 FTJFFTUGODAFKU-SNVBAGLBSA-N 303.200 1.215 10 10 DDCE COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 171178529 CCXJRBCNJIMZAZ-HUUCEWRRSA-N 318.373 1.153 10 10 DDCE CCOC(=O)[C@@H]1C[C@@]1(N)c1c(O)cccc1Br 1952859936 QEFBPWZHDBCDCN-MADCSZMMSA-N 300.152 1.892 10 10 DDCE C[C@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccc(Cl)cc1 60865231 HPZSRKUUMBCWDX-VIFPVBQESA-N 321.764 1.925 10 10 DDCE Cc1cc(O)c(O)cc1CCNC(=O)CNC(=O)OC(C)(C)C 170181723 IRPIAQSJTAGCTD-UHFFFAOYSA-N 324.377 1.590 10 10 DDCE CCS(=O)(=O)N1CC(CN[C@H](C)c2ccc(C)cc2O)C1 190691311 NGYKXIKGFMVISX-GFCCVEGCSA-N 312.435 1.633 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)c1O 249638062 XEDMIDJZOKYGIZ-UUHKWCKJSA-N 305.349 1.935 10 10 DDCE CN(C)c1ccc(CN2CCOC[C@H](O)C2)c(C(F)(F)F)c1 294694722 CPOYIMBYQAZHLD-CYBMUJFWSA-N 318.339 1.965 10 10 DDCE CNC(=O)[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2C)C1 817777768 LNPPEGRLHCZWGK-AWEZNQCLSA-N 318.421 1.339 10 10 DDCE CN(C)c1cc(CNC(=O)/C=C\c2ccc(O)c(O)c2)ccn1 588404414 QMSFSUMUOBVGSZ-XQRVVYSFSA-N 313.357 1.888 10 10 DDCE COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccco3)C2)cc1 849415489 AOXKUNYOQTUCBO-GFCCVEGCSA-N 322.386 1.845 10 10 DDCE C[C@H]1CN([C@@H](C)CNC(=O)c2cccc(O)c2O)C[C@@H](C)O1 848296153 ZDERLABRPLEZQX-SDDRHHMPSA-N 308.378 1.325 10 10 DDCE O=[S@]1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCOCC2)c(F)c1 846103607 RYKWYOSBGXWBBP-OKHZJLECSA-N 324.421 1.368 10 10 DDCE C[C@H](N[C@@H]1CNOC1)c1cc(Br)cc(F)c1O 925862167 MTRUPFUJLMKGBE-POYBYMJQSA-N 305.147 1.848 10 10 DDCE Cc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)c(O)c1O 854643455 YGQITTVNTIETBD-UONOGXRCSA-N 320.389 1.341 10 10 DDCE CCOC(=O)NCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855229951 AZNUGRQVDXSVPC-LBPRGKRZSA-N 321.377 1.136 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C1(C(N)=O)CCCC1 930095411 OYEMSXBULOKVDQ-UHFFFAOYSA-N 317.433 1.753 10 10 DDCE CNCCOCCN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1O 863647754 UMQHNEVOGFTJAY-UHFFFAOYSA-N 317.773 1.622 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 860214727 LJFHIHRPEMCTEH-MRVPVSSYSA-N 318.251 1.481 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCOC1(C)C 1118744911 UGNZYLPWOJAUIL-CYBMUJFWSA-N 320.389 1.282 10 10 DDCE C[C@H](NC(=O)c1ccco1)C(=O)N1Cc2cccc(O)c2C1 871199213 NTQYNHUYDGGJFY-JTQLQIEISA-N 300.314 1.646 10 10 DDCE CN(CC1=CCCOC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1119023812 XLZIYZDNLWITOS-UHFFFAOYSA-N 316.357 1.040 10 10 DDCE O=C1C[C@]2(CCN(Cc3cc4c(cc3O)CCCC4)C2)CN1 788383630 LNUPHWGLYONPJJ-GOSISDBHSA-N 300.402 1.983 10 10 DDCE O=C(NCc1c(O)ccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 1304090005 UUGDGUYHQPGLDQ-GFCCVEGCSA-N 319.382 1.596 10 10 DDCE COc1cc(Br)cc(CNCCNC(C)=O)c1O 76276073 FMRAZYTWDVDREQ-UHFFFAOYSA-N 317.183 1.389 10 10 DDCE O=C(NC[C@@H](CO)c1ccc(F)cc1)c1cccc(O)c1O 1161468180 KTJARSTVFXMLAJ-NSHDSACASA-N 305.305 1.743 10 10 DDCE C[C@@]1(CO)C[C@H](O)CN1c1ccc(CO)cc1Br 704569920 OTUPBRPDKSIHCO-GWCFXTLKSA-N 316.195 1.263 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CC2CC1(C)C2 1327984471 MAXVMFKLHTVOKP-UHFFFAOYSA-N 315.417 1.722 10 10 DDCE O=C(NC[C@@H](O)COc1ccccc1)c1c(F)ccc(O)c1O 1182311851 YOWOFGLEBOUTIW-SNVBAGLBSA-N 321.304 1.407 10 10 DDCE CN1C[C@@H]2CC[C@H](NC(=O)/C=C\c3ccc(O)c(O)c3)[C@H]2C1 1347598267 WAFVRVMSZKZEHD-FGTKFQECSA-N 302.374 1.567 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)c3n[nH]cc3F)C2)cc1 1299769424 BCPGCFASRXWQEB-LLVKDONJSA-N 318.352 1.814 10 10 DDCE C[C@H](O)CN(C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1722926762 OFOWFYSCBHPSMD-MNOVXSKESA-N 321.381 1.280 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cc2n(n1)CCC[C@H]2O 1633515517 DHYQDJUGWBDVNA-GFCCVEGCSA-N 303.318 1.052 10 10 DDCE Cn1cc(-c2ncccc2C(=O)NCc2cc(O)ccc2O)cn1 1644753788 JUCMDRACIJVXIP-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC2(C)C)cc1C 1571426903 GLWQTFOLVLSUOS-CABCVRRESA-N 320.433 1.616 10 10 DDCE O=C(Cc1ccccc1[N+](=O)[O-])NCc1cc(O)ccc1O 1651222258 CXQWQGWNSJMYGX-UHFFFAOYSA-N 302.286 1.865 10 10 DDCE Nc1ccc(CCNC(=O)c2cccc(-n3cnnn3)c2)cc1 152524333 SCTGHMKGSGXSFE-UHFFFAOYSA-N 308.345 1.217 10 10 DDCE Nc1ccc(OC[C@@H](O)CN2CCCC[C@H]2C2OCCO2)cc1 2145809570 NANFGZGVFXPLPT-HOCLYGCPSA-N 322.405 1.236 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCN1Cc1ccc(F)c(F)c1O 2151230024 FEAUTIPHKRVMES-JTQLQIEISA-N 305.346 1.679 10 10 DDCE OCc1ccc(N2C[C@H]3C[C@@]2(CO)CO3)c(Br)c1 2033587993 VRQHHKBQBWGMBG-ZWNOBZJWSA-N 314.179 1.281 10 10 DDCE CO[C@@]1(CO)CCN(c2ccc(CN)cc2Br)C1 402888071 DAUFIKDAPSTTPV-ZDUSSCGKSA-N 315.211 1.495 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2CS(=O)(=O)C[C@H]2C)c1O 711726746 NBHWRHWZIKAWMR-LDYMZIIASA-N 319.810 1.577 10 10 DDCE Cn1cc(Cl)c(CNS(=O)(=O)Cc2ccc(N)cc2)n1 393297412 DRCHYXVPIFONGZ-UHFFFAOYSA-N 314.798 1.275 10 10 DDCE CN(CC1(F)CC1)S(=O)(=O)CCOc1ccc(N)cc1 2206344944 PQRREICJPDZURP-UHFFFAOYSA-N 302.371 1.411 10 10 DDCE CSc1ncc(CNC(=O)[C@@H](N)CP(C)(C)=O)s1 2313930874 NROVOZHGXBCADF-QMMMGPOBSA-N 307.381 1.431 10 10 DDCE Cc1ccc(CN[C@@H]2CN(C)C[C@H]2O)c(O)c1Br 2327621211 LALWNUHUATZEAP-GHMZBOCLSA-N 315.211 1.228 10 10 DDCE Cc1ccc(CN2C[C@H](O)C[C@@H]2CN)c(O)c1Br 2327620568 FFDSVDSWQVYKSA-GHMZBOCLSA-N 315.211 1.357 10 10 DDCE CSc1ncc(CN[C@](C)(C(=O)O)[C@H](N)C(C)C)s1 2350655671 PCHSNPGHZQZFKN-SKDRFNHKSA-N 303.453 1.781 10 10 DDCE COC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1ccc(O)c(O)c1 170046139 INSCJBMTOSSTIB-AAEUAGOBSA-N 321.373 1.831 10 10 DDCE CCN[C@H]1C(=O)Nc2cc(N3CC[C@@H](CO)C3)c(Cl)cc21 226455432 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O=C1c2ccccc2C(=O)N1C[C@@H](O)CSc1nccs1 1923787618 FZUQWEJXASTLOA-SECBINFHSA-N 320.395 1.892 10 10 DDCE Cc1cccc(O)c1CNCc1c(Br)nnn1C 1967835074 QTYAEUWHCJXVMP-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE Oc1ccc(I)cc1[C@@H]1NCCC[C@@H]1O 1952607922 MHZJYLILRWNEFD-QWRGUYRKSA-N 319.142 1.782 10 10 DDCE O=S1(=O)CCC[C@H]2CN(c3ccc(CO)c(Cl)c3)C[C@@H]21 2145046895 RWNMANSXGOQXQQ-HZMBPMFUSA-N 315.822 1.846 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@H](N=[N+]=[N-])C1 403691784 ZRUJXGRNBGHMGQ-ZETCQYMHSA-N 304.763 1.537 10 10 DDCE N[C@@]1(C(=O)O)CCN(Cc2c(O)cccc2Br)C1 706806575 PTVLYYRPZATLOQ-LBPRGKRZSA-N 315.167 1.143 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CCSC[C@@H]3CO)c(Cl)cc21 388138713 OWDBIBYKAOMMQI-JVXZTZIISA-N 313.810 1.206 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)C[C@@H]3CCCN(C)C3)c2n1 2063907296 HGTJETWSLMWVBP-GFCCVEGCSA-N 317.393 1.157 10 10 DDCE Cc1cccc(CN=c2[nH]c(=N)[nH]cc2Br)c1O 2084065489 YFOILTMCLXULOG-UHFFFAOYSA-N 309.167 1.700 10 10 DDCE CN1CCc2cc([C@H](N)C3(O)CSCCSC3)ccc21 2237075232 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COc1ccc(CN2CCOC[C@H]2c2nc(C)no2)c(O)c1 188478616 YJRCVSYVVJSLQH-ZDUSSCGKSA-N 305.334 1.666 10 10 DDCE COC[C@@H](O)CN1CCC(N[C@H](C)c2ccccc2O)CC1 183632019 UEIDNZPWMOGWGT-HIFRSBDPSA-N 308.422 1.515 10 10 DDCE COc1ccc(N(C)CCCCS(C)(=O)=O)c(OC)c1 131787141 NKXNXNATHRGDBN-UHFFFAOYSA-N 301.408 1.965 10 10 DDCE COc1cc(Cl)c(N2CCO[C@H](CCN)C2)c(OC)c1 2368105269 IARMNORZKFJOIJ-SNVBAGLBSA-N 300.786 1.911 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)c1cn(C)nc1N 40337783 LVHBHCILULFWOM-SECBINFHSA-N 310.379 1.090 10 10 DDCE C[C@H]1COCCN1CCN1CCOc2cc(N(C)C)ccc21 192772358 UKFVFDQYUGQWAE-AWEZNQCLSA-N 305.422 1.672 10 10 DDCE COc1ccc(CN2CCN(CCOC(C)C)CC2)c(O)c1 93586844 HHLMAYGTLUMDMQ-UHFFFAOYSA-N 308.422 1.943 10 10 DDCE CNC(=O)NC[C@H]1CN(Cc2cc(Cl)ccc2O)CCO1 529644785 XPEZJCXXQIWQDT-LBPRGKRZSA-N 313.785 1.175 10 10 DDCE CCOC(=O)CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 267850806 ANSSWDBQCGFELJ-UHFFFAOYSA-N 324.352 1.436 10 10 DDCE COC[C@@]1(C(=O)NCc2ccc3c(c2)CCCN3C)CCOC1 825510920 JTPGEZIHCWOXPH-SFHVURJKSA-N 318.417 1.738 10 10 DDCE COc1ccc(O)c(CN2CCO[C@@H](CCCN(C)C)C2)c1 827857247 ZOLSGNNMNNALCF-INIZCTEOSA-N 308.422 1.943 10 10 DDCE N[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C(F)(F)F 827567192 CBVOVTJPTLUIGR-GFCCVEGCSA-N 317.311 1.029 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(N2CCOCC2)c(C)c1 830195570 GGPNKTZRIZPKJV-UHFFFAOYSA-N 305.330 1.147 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@H]1CCCN1c1nccs1 910948854 BKKXWMDABIFBKZ-GFCCVEGCSA-N 319.386 1.840 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNCCCc2ncn(C)n2)c1O 843420412 YPSRYIAHKNJBKL-UHFFFAOYSA-N 321.337 1.160 10 10 DDCE CN1CCC[C@](O)(CC(=O)NCc2cc(Cl)ccc2O)C1 911898279 OLBDJKALPSTCJX-HNNXBMFYSA-N 312.797 1.509 10 10 DDCE C[C@H](NC[C@@H]1CC2(CCNCC2)C(=O)O1)c1cc(F)ccc1O 925859187 WDUDUKKRLXSQTG-AAEUAGOBSA-N 322.380 1.867 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C3(OC)CCC3)C2)cc1 855225931 MFVNGQAOUOKZPP-CYBMUJFWSA-N 304.390 1.959 10 10 DDCE C[C@H]1CSCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1118953297 RISBGUMAFPGWRC-LLVKDONJSA-N 320.414 1.446 10 10 DDCE COC(=O)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C1CC1 896774655 TWIWVKAMPQRQEL-CYBMUJFWSA-N 321.354 1.994 10 10 DDCE COc1ccc(N2CCN(CCNCC3(F)CC3)CC2)cc1 792937732 YQPMSLHNCGIOQK-UHFFFAOYSA-N 307.413 1.909 10 10 DDCE O=C(C(=O)N1CC[C@H](C2CC2)C1)N1Cc2cccc(O)c2C1 1329414715 WBHFABQHIPMYRA-LBPRGKRZSA-N 300.358 1.493 10 10 DDCE Cc1cc(Br)cc(CN(C)[C@H](C)C(N)=O)c1O 711129021 ISRLMEQPCPDFLO-MRVPVSSYSA-N 301.184 1.769 10 10 DDCE CNC(=O)[C@@H]1CCN(Cc2ccc(Br)cc2O)C1 691672820 AZPSLHPWWMUBPP-SNVBAGLBSA-N 313.195 1.723 10 10 DDCE CCN(CCO)c1ccc(CNC[C@@H]2CCCO2)cc1OC 212677050 OKPNXTCATJOHLP-HNNXBMFYSA-N 308.422 1.782 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCCn2cccn2)cc1 1464044987 DAWMNCMSTKYYET-UHFFFAOYSA-N 300.322 1.866 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC(=O)Nc3cnccc32)cc1 1628859524 PGJHIGNODRELGS-UHFFFAOYSA-N 324.300 1.843 10 10 DDCE O=C(N[C@@H]1Cc2cncn2C1)c1cc2cc(O)c(O)cc2s1 1637163118 BWXDJBZAQSJVED-SECBINFHSA-N 315.354 1.864 10 10 DDCE COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)Cc1ccc(O)c(O)c1 1567882023 YBALBMYBIYVZNV-CMPLNLGQSA-N 307.346 1.440 10 10 DDCE CCc1noc(CCCC(=O)NCc2c(O)cccc2O)n1 1647270430 RZYBOPCIJLYFAW-UHFFFAOYSA-N 305.334 1.682 10 10 DDCE Nc1ccc(CCc2nc([C@@H]3CCS(=O)(=O)C3)no2)cc1 157991188 WNNGRTMCUUTILQ-LLVKDONJSA-N 307.375 1.339 10 10 DDCE CCOC(C)(C)CNS(=O)(=O)CCOc1ccc(N)cc1 159109381 DEPBJJBUQFDWHJ-UHFFFAOYSA-N 316.423 1.382 10 10 DDCE Oc1ccc(I)cc1CN1CCNCC1 1951352010 OREQXNPNNRVBHA-UHFFFAOYSA-N 318.158 1.402 10 10 DDCE O=C(O)c1cc(O)ccc1NS(=O)(=O)CC1CC(F)C1 2148919418 LVRGMGNNPYIPEP-UHFFFAOYSA-N 303.311 1.580 10 10 DDCE CON(Cc1cc(Br)cc(F)c1O)C1CNC1 2003429555 VCJXFRHPFPZVRI-UHFFFAOYSA-N 305.147 1.629 10 10 DDCE CN1C[C@H](O)[C@@H](NCc2cc(Br)cc(F)c2O)C1 2029866622 KFXKCQDCIBZZSA-QWRGUYRKSA-N 319.174 1.058 10 10 DDCE CS(=O)(=O)N1CC[C@H](CN2CCC[C@@H](N=[N+]=[N-])CC2)C1 2155559013 ULEBNIPLLJBVEJ-VXGBXAGGSA-N 301.416 1.433 10 10 DDCE CN1CCN(c2ccc(CN)c(Br)c2)C[C@H]1CO 687610329 OCQYCAAVZNHQCU-LBPRGKRZSA-N 314.227 1.021 10 10 DDCE NC(=O)N1CC[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1 393212172 BAENJVRXENABNZ-SECBINFHSA-N 304.177 1.942 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCCN3CCC[C@@H](C)C3)c2n1 2062272992 XCUOCDUUKWPSMS-LLVKDONJSA-N 317.393 1.205 10 10 DDCE Cn1nc(C2CCOCC2)cc1C(=O)Nc1ccc(O)c(O)c1 2062756567 YDBICLJPSNRCCP-UHFFFAOYSA-N 317.345 1.978 10 10 DDCE C[C@@H](c1ccc(F)cc1O)n1ncc(C(=O)NC2CC2)c1O 2070494166 FMXUEGUAQPQPAC-QMMMGPOBSA-N 305.309 1.935 10 10 DDCE [N-]=[N+]=NCCNS(=O)(=O)c1ccn([C@H]2CCCCO2)n1 2174002965 RMIJSPQVENUTGL-SNVBAGLBSA-N 300.344 1.171 10 10 DDCE NC(=O)CN(Cc1ccc(N)cc1)C[C@@]1(Cl)CC1(F)F 2205569696 DAVPEFRRVXRCOF-LBPRGKRZSA-N 303.740 1.573 10 10 DDCE NCC1(CNCc2cc(Br)c(O)cc2O)CC1 2248029398 ZACBSRDRIWIHRW-UHFFFAOYSA-N 301.184 1.689 10 10 DDCE COC(C)(C)C[S@@](=O)C[C@H](O)COc1ccc(N)cc1 2280301290 WTXKOVWEFZDTBR-ODXCJYRJSA-N 301.408 1.182 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(=O)O)s1 2284504947 QNWLKCRWFAMGLQ-XVYDVKMFSA-N 313.404 1.480 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](C)[C@@H]2C[C@@H]2C(=O)O)s1 2284545151 WOQCXPPFBDQSJA-YEPSODPASA-N 315.420 1.773 10 10 DDCE Cc1ccc(CN(CCO)CCCN)c(O)c1Br 2327620961 IMEAUNWRNVMYMZ-UHFFFAOYSA-N 317.227 1.606 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c(Cl)c1 2336469979 CRKZFCUIQIJXEK-DVYJOKAKSA-N 300.811 1.593 10 10 DDCE CN1CCCc2cc(CNC(=O)N(C)[C@H]3CCOC3)ccc21 106549769 URDSDRSDASZWRI-HNNXBMFYSA-N 303.406 1.999 10 10 DDCE CC1(C)OC(=O)C(=CN[C@@H](C(=O)O)c2ccccc2)C(=O)O1 100751471 BDJYQPNGEZBBBY-LLVKDONJSA-N 305.286 1.122 10 10 DDCE Nc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)OCO2 21512214 UMSGFWYSPFLBJY-UHFFFAOYSA-N 310.306 1.937 10 10 DDCE COCCNCc1cc(F)c(N2CCCOCC2)c(F)c1 62738394 ITEXVVAQNJALRX-UHFFFAOYSA-N 300.349 1.928 10 10 DDCE CNC(=O)c1ccc(NCCCSc2nccs2)nn1 301445183 QTPWIZRCDPTYFB-UHFFFAOYSA-N 309.420 1.887 10 10 DDCE N[C@@H](CO)c1cc(Br)c(Cl)c([N+](=O)[O-])c1O 72199854 LJVMTJAFLMSSQA-YFKPBYRVSA-N 311.519 1.708 10 10 DDCE Cc1cc(N(C)C)ccc1CNS(=O)(=O)[C@H]1CCO[C@@H]1C 135680487 ATSSXILJIUCXNM-DOMZBBRYSA-N 312.435 1.658 10 10 DDCE O=C1c2cccc(O)c2C(=O)c2c(OS(=O)(=O)O)cccc21 199043058 VVEIDLHTUOHUHE-UHFFFAOYSA-N 320.278 1.349 10 10 DDCE COC(=O)C[C@H](N)c1cccc(I)c1O 95769560 WQTORHUIIDREPI-QMMMGPOBSA-N 321.114 1.560 10 10 DDCE CCOc1cccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)c1O 245697785 CPEZPBWTCGTQIX-KGLIPLIRSA-N 308.422 1.678 10 10 DDCE CNC(=O)CNC(=O)/C=C\c1cc(C)n(-c2ccccc2)c1C 254965755 UEBWMRGZADYIIO-KTKRTIGZSA-N 311.385 1.970 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H](O)CC3)cc2N1 378715343 YKEWRZICRLSNHJ-SECBINFHSA-N 307.306 1.277 10 10 DDCE CCOc1cccc(CN2CCO[C@H](C(=O)C3CC3)C2)c1O 811502392 SBXASISGDFOADW-HNNXBMFYSA-N 305.374 1.971 10 10 DDCE COC(=O)[C@]12C[C@H](N)C[C@H]1CN(Cc1cc(C)ccc1O)C2 903978939 OYPPMJHZRMNZFR-VBQJREDUSA-N 304.390 1.413 10 10 DDCE CN1C(=O)C(=Cc2c(C3CCC3)cnn2C)C(=O)N(C)C1=O 849240232 KQJGWQKWHPWEOR-UHFFFAOYSA-N 302.334 1.121 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@H]1CC(=O)N(CC2CC2)C1 924030738 IYDQDOHTNUWIHQ-NSHDSACASA-N 321.352 1.341 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Nc3nncs3)C2)cc1 853818043 RKBVPONIFNNVFG-SNVBAGLBSA-N 319.390 1.947 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@H]3COC[C@]3(C)C2)cc1 853243985 BHBCOZMIYREVCF-YOEHRIQHSA-N 303.406 1.931 10 10 DDCE CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H](C)O 854297704 RFZHYHZRWKNGPG-IOASZLSFSA-N 321.421 1.733 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H](C)C1O 853834035 MZULRMNXTNVWRA-RKDXNWHRSA-N 321.333 1.379 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCC[C@H]3NCC[C@H]32)cc1 866722873 ALTZMTZKAKXYNP-IAGOWNOFSA-N 316.449 1.195 10 10 DDCE COc1ccc(O)c(CNCc2cn(C[C@H]3CCOC3)nn2)c1 865463093 GYTWUVBMVIJUEY-GFCCVEGCSA-N 318.377 1.319 10 10 DDCE O=C1CC[C@H](C(=O)NCc2ccc3cccnc3c2O)CCN1 862026437 OEUQRWNZYNGITO-LBPRGKRZSA-N 313.357 1.473 10 10 DDCE Cn1cc([C@H](NC(=O)c2cccc(O)c2O)C(F)(F)F)cn1 773832694 AMEYPCUMMIBWBF-NSHDSACASA-N 315.251 1.865 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1noc(C2CC2)n1 779539198 BTMUBCSZUPFAHL-KXFIGUGUSA-N 301.302 1.688 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCO[C@H](C(=O)C3CC3)C2)c1O 775927327 ICANNJMHORPHGH-HNNXBMFYSA-N 321.348 1.914 10 10 DDCE CN(C)c1ccc(CNS(=O)(=O)c2cnc3n2CCC3)cc1 772356390 LIHNOHQTQRKKNG-UHFFFAOYSA-N 320.418 1.374 10 10 DDCE C[C@@]1(C(N)=O)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 1138880973 RAZDGMVKRYDRIH-OAHLLOKOSA-N 320.370 1.650 10 10 DDCE CC(=O)c1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1O 1150488756 WBJCYMYVBOKOJU-UHFFFAOYSA-N 315.325 1.979 10 10 DDCE CC(C)(C)OC(=O)NC1CN(C[C@@H](N)c2ccccc2O)C1 1961168688 KSDMAEKRJGTKKZ-CYBMUJFWSA-N 307.394 1.601 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)CON(C)C(=O)OC(C)(C)C 1885558111 ZKLJQHIVQXNAFY-UHFFFAOYSA-N 301.347 1.944 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@]1(C)CC1(F)F 1330202140 LISVLZAOJHKKLB-AWEZNQCLSA-N 312.316 1.512 10 10 DDCE Cc1ccc2nnc(CNC(=O)Cc3ccc(O)c(O)c3)n2c1 1299600178 XBWREPSUGHVTSM-UHFFFAOYSA-N 312.329 1.308 10 10 DDCE CN(Cc1nccn1C)C(=O)c1ccc(N=NC(N)=O)cc1 1290249380 FCCBMJQJLGETKJ-UHFFFAOYSA-N 300.322 1.855 10 10 DDCE COc1ccc(CNC(=O)c2nnc(-c3ccco3)o2)c(O)c1 1635042185 JASMDJXYPUQLPJ-UHFFFAOYSA-N 315.285 1.974 10 10 DDCE COC(=O)N[C@@H](CC(C)C)C(=O)NCc1cc(O)ccc1O 1637126315 SKKFTMOYDISCNP-LBPRGKRZSA-N 310.350 1.485 10 10 DDCE Cc1cc(COCC(=O)NCCc2ccc(O)c(O)c2)no1 1631510221 JSVDXKSGHRZBCG-UHFFFAOYSA-N 306.318 1.270 10 10 DDCE O=C(NCc1c(O)ccc2c1CCCC2)c1nsnc1O 1630277876 MGXBMUVRQHYGOK-UHFFFAOYSA-N 305.359 1.758 10 10 DDCE O=Cc1cccc(OCC(=O)NCc2cc(O)ccc2O)c1 1633595094 HZNZWLXXNZLYDA-UHFFFAOYSA-N 301.298 1.606 10 10 DDCE CN(CCC(=O)NCc1cc(O)ccc1O)C(=O)OC(C)(C)C 1644754012 NPZBMGLYUPYPRE-UHFFFAOYSA-N 324.377 1.971 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccnn1CC(F)(F)F 1593739555 QCHNOKOXTOSWBK-UHFFFAOYSA-N 315.251 1.787 10 10 DDCE CC(C)CC(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169821811 OJXUJEJNIAPWBC-UHFFFAOYSA-N 322.361 1.134 10 10 DDCE CCOC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(N)cc2)CC1 1860082699 RNGFCZRJRJDESZ-GFCCVEGCSA-N 321.377 1.337 10 10 DDCE CC(C)O[C@H]1CS(=O)(=O)C[C@H]1N1CCC(N=[N+]=[N-])CC1 1912190615 GPFTXAJYAKSIAC-NEPJUHHUSA-N 302.400 1.352 10 10 DDCE CCNCc1ccc(N2CCS(=O)(=O)C[C@H]2C)c(F)c1 228794620 AABJCDDWQPICLA-LLVKDONJSA-N 300.399 1.559 10 10 DDCE CNCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(Br)c1 2136606766 NCHJWXMASDIQKL-IWIIMEHWSA-N 324.222 1.336 10 10 DDCE CC(=O)C(=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)C2(CCCC2)C1 1934243325 BHEVALZYRPLTBF-INIZCTEOSA-N 311.378 1.829 10 10 DDCE CNC(=O)C1(NCc2cc(Br)cc(F)c2O)CC1 1967771362 GCZCCFDVASROFL-UHFFFAOYSA-N 317.158 1.662 10 10 DDCE COc1cc(Br)cc([C@@H]2C[C@@H](N)CN2C)c1O 1952699812 JCHDDRAWDGYLMD-SCZZXKLOSA-N 301.184 1.867 10 10 DDCE CNCc1ccc(N2CCS(=O)CC2)cc1C(F)(F)F 167370441 LICXJFCLADSAJL-UHFFFAOYSA-N 306.353 1.994 10 10 DDCE CS(=O)(=O)C[C@@H]1CCN(c2c(F)cc(CN)cc2F)C1 2143674253 ZUCNGECSCUTFKD-SECBINFHSA-N 304.362 1.294 10 10 DDCE CNCc1ccc(N2CC(N(C)OC)C2)cc1Br 2028061460 HQAMREDJKJZACB-UHFFFAOYSA-N 314.227 1.850 10 10 DDCE CN(CC(CO)CO)c1cc(Br)c(CN)cc1F 2033014835 SRGUSEKUKMSPAW-UHFFFAOYSA-N 321.190 1.084 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H]2C[C@@H]2C(F)(F)F)cc1 2159790379 MVXJJJAEDRLUIZ-KOLCDFICSA-N 308.325 1.887 10 10 DDCE CCOC(=O)c1cnn([C@@H](C)c2c(O)cccc2OC)c1N 2070325828 OYOYFOZTIZAQHT-VIFPVBQESA-N 305.334 1.966 10 10 DDCE COc1ccc(N(CCN)CCO)c(OC)c1Br 2044326322 NBKUJFMQQUROIW-UHFFFAOYSA-N 319.199 1.224 10 10 DDCE C[C@@H]1O[C@@H](C)C(=O)N(c2ccc(N)cc2Br)C1=O 2086186467 FJYILYMNWDLVDS-BQBZGAKWSA-N 313.151 1.698 10 10 DDCE Nc1ccc(OCCC(=O)N2CCC[C@@H]2C2OCCO2)cc1 2089612320 SISPGFPAYPYHHN-CQSZACIVSA-N 306.362 1.402 10 10 DDCE O=S(=O)(NCCCNCc1ccccc1O)C(F)(F)F 2237654520 WYXGOBFBRIROAH-UHFFFAOYSA-N 312.313 1.311 10 10 DDCE COc1cc(OC)c(N2CCOC[C@]2(C)CO)cc1Cl 2285908302 DFZFUOFPVLMVBZ-AWEZNQCLSA-N 301.770 1.945 10 10 DDCE CN(Cc1ccc(N)cc1)S(=O)(=O)CC(C)(C)C(=O)O 2290039619 IUCGRKDYIVIBCG-UHFFFAOYSA-N 300.380 1.141 10 10 DDCE Cc1ccc(CN(C)C(=O)CCO)c(O)c1Br 2307466123 LSAGPYAMTPRDID-UHFFFAOYSA-N 302.168 1.804 10 10 DDCE COc1ccccc1N1C(=O)/C(=C/c2ccc[nH]2)C(=O)N=C1O 501867 WEZULXSETBJZQZ-PKNBQFBNSA-N 311.297 1.894 10 10 DDCE Cc1ccc(NCc2ccc(O)cc2O)cc1S(N)(=O)=O 22149991 GDQYYOLNRFGOAU-UHFFFAOYSA-N 308.359 1.666 10 10 DDCE CN(C)c1ccc(CN[C@H]2CCC[C@H]2S(C)(=O)=O)cc1F 182683928 HVUWHIGLXBAWKE-DZGCQCFKSA-N 314.426 1.947 10 10 DDCE COc1cc(Cl)c(N2CCC(O)(CN)CC2)c(OC)c1 2368108956 ULFCHHUGZXGFCS-UHFFFAOYSA-N 300.786 1.647 10 10 DDCE CC(=O)NC1CN(C(=O)NCCCSc2nccs2)C1 190249241 PLVQJTGCOPLQHW-UHFFFAOYSA-N 314.436 1.155 10 10 DDCE COc1cc(N(C)CCN2CCOC[C@H]2C)cc(OC)c1OC 192727666 ULWXMFSVAJRNRX-CYBMUJFWSA-N 324.421 1.869 10 10 DDCE COc1ccc(N2CCN(C(=O)C[C@@H]3CCCN3C)CC2)cc1 82320328 NMRUCNWMSXXKAG-INIZCTEOSA-N 317.433 1.828 10 10 DDCE CNCc1ccc(N2CCS(=O)CC2)cc1Br 234454487 FBQUZNOHQGMEKJ-UHFFFAOYSA-N 317.252 1.737 10 10 DDCE NS(=O)(=O)C[C@H]1CCCN(Cc2cccc(Cl)c2O)C1 271763550 ZKNKCKHWRAUXPM-JTQLQIEISA-N 318.826 1.546 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CC(=O)N(C)[C@H](C)C2)c1O 282383835 XEBLCYFYTKSOMX-SECBINFHSA-N 310.781 1.911 10 10 DDCE COc1cc(N2[C@H]3CC[C@H]2[C@@H](CO)C3)c([N+](=O)[O-])cc1OC 290677353 KZNWNLUDXYHQTM-VWYCJHECSA-N 308.334 1.962 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C 808493489 HJXAMFKTAYVICV-LLVKDONJSA-N 315.366 1.627 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 808516980 TWKSYSZNYBZWED-AWEZNQCLSA-N 317.341 1.240 10 10 DDCE CCn1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2)n1 815096897 JSAYHAYLUQBJSI-UHFFFAOYSA-N 315.377 1.065 10 10 DDCE COc1ccc(N2CCN(CCN[C@H]3CCC[C@H]3N)CC2)cc1 817893529 GNVQCOZALSZFOP-MSOLQXFVSA-N 318.465 1.287 10 10 DDCE COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O 821065565 PAZIBYNZNUHTPG-ADEWGFFLSA-N 307.346 1.777 10 10 DDCE CO[C@](C)(CO)CNC(=O)NCc1ccc(N2CCCC2)cc1 847287234 AWXGHMHGMWEONV-KRWDZBQOSA-N 321.421 1.483 10 10 DDCE COC(C)(C)[C@@H](C)N1C(=O)CN(Cc2ccccc2O)C1=O 925199555 UFYSAPYUMQGAQH-LLVKDONJSA-N 306.362 1.970 10 10 DDCE O=C(NCc1c(O)cccc1F)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 926681131 LJRWYZLUMMAHHV-BFVZDQMLSA-N 310.325 1.134 10 10 DDCE Cn1ccc([C@@H]2CCCN(C(=O)c3cccc(O)c3O)C2)n1 928198306 FNOWWQQNKNHQGN-LLVKDONJSA-N 301.346 1.851 10 10 DDCE COc1cc(CNCCc2nnnn2C)c(O)c(C(C)(C)C)c1 850235745 FWMFIPQEXREENL-UHFFFAOYSA-N 319.409 1.554 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCN(C)[C@@H]3C)C2)cc1 855227259 WTKAMYBGKKCVFT-JKIFEVAISA-N 317.433 1.730 10 10 DDCE O[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)C12CCC2 850388388 MCYOEKFANCGGDU-IRXDYDNUSA-N 302.418 1.916 10 10 DDCE COC[C@]1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1 863833391 TVURIYVVLXIOEE-LEXSJLIMSA-N 307.346 1.375 10 10 DDCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@H]4C[C@H]43)nc12 761095431 QDCGLULMYSELLW-JOYOIKCWSA-N 302.334 1.206 10 10 DDCE COC(=O)c1cncc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 779536951 ODGFJFOHUSJHGA-HYXAFXHYSA-N 314.297 1.931 10 10 DDCE Nc1ccc(OCCC(=O)NCC2CC3(C2)OCCO3)cc1 1876420346 OCUWYBGXPMSYHV-UHFFFAOYSA-N 306.362 1.307 10 10 DDCE C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1nnc(O)n1C 895185354 ZNQCRTULFCGFBE-GFCCVEGCSA-N 317.393 1.208 10 10 DDCE COc1cnccc1N1CCN(C(=O)c2cc(O)cs2)CC1 796221493 DBGSCPVHYZTVRE-UHFFFAOYSA-N 319.386 1.820 10 10 DDCE COC(=O)c1ccccc1CNC(=O)c1cccc(O)c1O 1155178789 HMAMZDWKQIHLTB-UHFFFAOYSA-N 301.298 1.814 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)C2CC=CC2)cc1C 1283741864 BRXOAONXDARFMT-INIZCTEOSA-N 318.417 1.537 10 10 DDCE O=C(NCc1cccc(Cl)c1O)c1cc2n(n1)CCC[C@H]2O 1457035635 JFTHRUAPFPIJRB-CYBMUJFWSA-N 321.764 1.999 10 10 DDCE CCOc1cc(CNCCN(C)C)ccc1N(CC)CCO 211961324 HCQVVIUWTWYNIN-UHFFFAOYSA-N 309.454 1.555 10 10 DDCE CC(=O)N1CCN(CCNCc2ccc(N(C)C)c(F)c2)CC1 1461042841 NGQUZLVSHINBHT-UHFFFAOYSA-N 322.428 1.145 10 10 DDCE O=C(CSc1cccc[n+]1[O-])N1Cc2cccc(O)c2C1 1644088155 HYOYTFOVHSRPPH-UHFFFAOYSA-N 302.355 1.660 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc(-n2ccnc2)nc1 1651222498 IJKIPEGLWOHNBO-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CCN1C(=O)/C(=C\c2cccc(OC)c2OC)C(=O)NC1=S 5926678 BIYSMISZVQVETD-NTMALXAHSA-N 320.370 1.350 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1ccccc1O 1636058130 RGJXKGFISXXVCK-LBPRGKRZSA-N 324.377 1.284 10 10 DDCE COc1cc(C2=NN=C3C4CCN(CC4)[C@@H]23)cc(OC)c1O 169967391 UOKPSWCIGSMECX-OAHLLOKOSA-N 301.346 1.662 10 10 DDCE CN(C)[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 154625716 JCLNWZIUWBOFMO-LLVKDONJSA-N 314.480 1.971 10 10 DDCE CCS(=O)(=O)Nc1ccc(NS(=O)(=O)C(C)C)cc1 112335141 XIFPLDQZWGLGNW-UHFFFAOYSA-N 306.409 1.598 10 10 DDCE Oc1ccc(I)cc1[C@H]1NCC[C@@H]1O 1952068768 PPAFASGSZNCTKD-VHSXEESVSA-N 305.115 1.392 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1CCN1C(=O)Cc1ccc(N)cc1 1977883521 FGSQESYRFDMDEP-AWEZNQCLSA-N 319.405 1.937 10 10 DDCE CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980371192 VHERYWCJSCNHCT-IJLUTSLNSA-N 322.405 1.509 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)Cc3ccncc3)c2n1 2062830140 SLKFPSBMVCXJCJ-JTQLQIEISA-N 311.345 1.499 10 10 DDCE CC1([C@@H]2CCCCN2C(=O)c2cc(O)c(O)c(O)c2)OCCO1 2188912478 KQNSIOJNAHAORJ-ZDUSSCGKSA-N 323.345 1.561 10 10 DDCE NCc1ccc(N2CCn3ncnc3C2)c(Br)c1 2050955110 SJSGJBAZXVTWED-UHFFFAOYSA-N 308.183 1.520 10 10 DDCE COc1ccc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c(CN)c1 2235956006 ADGACFQJOWORRA-MNOVXSKESA-N 300.424 1.412 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NC1CCN(C2CC2)CC1 2307982144 PMHKADAYLZWBFB-UHFFFAOYSA-N 302.374 1.854 10 10 DDCE COC(=O)c1c(NC(=O)[C@H]2CNC(=O)C2)sc2c1CCC2 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O=c1cc(/C=C\c2ccc(N3CCOCC3)cc2)nc2nc[nH]n12 806571387 UMRSWLUSZUDMAN-RJRFIUFISA-N 323.356 1.425 10 10 DDCE CN(C)c1ccc(/C=C/CN(C)[C@H]2CCS(=O)(=O)C2)cc1 835026326 UYVLJINZZIAWOP-APHBUQMISA-N 308.447 1.885 10 10 DDCE CN(C)c1ccc(/C=C/CNC2CC(NS(C)(=O)=O)C2)cc1 835049893 NGIKUVCRAFTYCW-SNAWJCMRSA-N 323.462 1.436 10 10 DDCE COC(=O)[C@H](NCc1ccc(N(C)C)c(C)c1)c1ccnn1C 830368885 CRVFIFPOAAUTQY-MRXNPFEDSA-N 316.405 1.798 10 10 DDCE O=C(NCCCN1CCOC1=O)NCc1c(O)cccc1F 916593050 MPHXHTOVVBLPLH-UHFFFAOYSA-N 311.313 1.173 10 10 DDCE C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)C(C)(C)CO 926855465 UTXMSXZNORBGSC-HNNXBMFYSA-N 305.466 1.935 10 10 DDCE CNC(=O)CN(C)C(=O)Cc1cc(C)n(-c2ccccc2)c1C 854265817 JBGMHFXVKDGJIB-UHFFFAOYSA-N 313.401 1.841 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)[C@@H](C)N)C2)cc1 851666481 HIFVPBGNYLTQHA-UPJWGTAASA-N 306.410 1.309 10 10 DDCE COC(=O)C12CC(CN1C(=O)/C=C/c1ccc(O)c(O)c1)C2 855522053 GZLITXNWQYJWJM-HWKANZROSA-N 303.314 1.275 10 10 DDCE COc1ccc(N2CC[C@@H](N[C@@H](C)CS(C)(=O)=O)C2)cc1 850489625 WDZGBRVAMYKROX-QWHCGFSZSA-N 312.435 1.297 10 10 DDCE CC[C@H](NC[C@@]12COCCN1C(=O)COC2)c1ccccc1O 866551825 CNHAJQKTCHAJTQ-YOEHRIQHSA-N 320.389 1.061 10 10 DDCE COc1ccc(O)c(CNC(=O)[C@H]2CCn3cc(C)nc3C2)c1 860242195 QYSXOTOKFGUVPN-LBPRGKRZSA-N 315.373 1.785 10 10 DDCE COC(=O)c1c(CN[C@H]2C[C@@H](CO)C2)c2cc(F)ccc2n1C 895417404 ABZKRBBSXVYYQG-KLPPZKSPSA-N 320.364 1.965 10 10 DDCE COc1cc(N2CCN([C@@H](C)[C@@H](C)O)CC2)cc(OC)c1OC 1307665773 DBZVJOQNWQRGBI-QWHCGFSZSA-N 324.421 1.604 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CSC1(C)C 1324882848 KRWNCFKQNPADTK-GFCCVEGCSA-N 308.403 1.361 10 10 DDCE COCCCNCc1ccc(N(C)CCC(=O)O)c(OC)c1 212700615 YSRVPKWMJPUTED-UHFFFAOYSA-N 310.394 1.732 10 10 DDCE NC(=O)NCCC(=O)Nc1c(-c2ccccn2)nc2ccccn12 1625657350 PMQFSZHOLLNBHS-UHFFFAOYSA-N 324.344 1.393 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@@H](O)c2cnn(C)c2)cc1 1626085040 ADBHUXPSDDFNQF-INIZCTEOSA-N 316.405 1.616 10 10 DDCE C[C@@H](CN(C)C[C@@H](C)O)NC(=O)c1ccc(N=NC(N)=O)cc1 1722926765 OFOWFYSCBHPSMD-WDEREUQCSA-N 321.381 1.280 10 10 DDCE CCN1CCO[C@H](C(=O)NCc2c(O)ccc3ccccc23)C1 1639384122 FZTVKPZBTOSNEB-KRWDZBQOSA-N 314.385 1.882 10 10 DDCE Cc1cc(CN2CC[C@H]3COC(=O)N[C@@H]3C2)ccc1N(C)C 1643695355 HJLNOHKHUQTONG-LSDHHAIUSA-N 303.406 1.991 10 10 DDCE O=C(N[C@H]1CC[C@@H](O)[C@@H](O)C1)c1cc2cc(O)c(O)cc2s1 1597979049 PNUNTAMHKTYXGU-NGZCFLSTSA-N 323.370 1.317 10 10 DDCE Cn1cc(C(N)=O)cc1C(=O)NCCCSc1nccs1 154562395 NYVLMURVZNYORB-UHFFFAOYSA-N 324.431 1.493 10 10 DDCE CCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC(CN=[N+]=[N-])CC1 1912145778 LEKNNGRVCLCRKH-NWDGAFQWSA-N 302.400 1.211 10 10 DDCE CCOC(=O)CCS(=O)(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 1912177058 GSQCIKGTSLJEME-JTQLQIEISA-N 304.372 1.292 10 10 DDCE Cc1ccc(CN2CCS2(=O)=O)c(O)c1Br 1905145326 VELYMQNYIFFPIL-UHFFFAOYSA-N 306.181 1.609 10 10 DDCE CNC[C@@H]1CN(Cc2cc(Cl)cc(OC)c2O)CCO1 229104586 XWVQFDBTPPOOSZ-GFCCVEGCSA-N 300.786 1.474 10 10 DDCE CC(C)(C)OC(=O)NCC1CN(C(=O)Cc2ccc(N)cc2)C1 1977902448 CUSKDTBWJWGHFV-UHFFFAOYSA-N 319.405 1.794 10 10 DDCE C[C@@H]1CN(c2ccc(CN)cc2Br)CC[S@@]1=O 2004537032 DIFMEBYECAEMPI-XLFHBGCDSA-N 317.252 1.865 10 10 DDCE C[C@H]1C[S@](=O)CCN1c1ccc(CO)cc1Br 2004527982 AXIZUSWVSISMRB-HUTHGQBESA-N 318.236 1.899 10 10 DDCE Oc1cc(Br)ccc1CN[C@@H]1C[C@@H](O)C[C@H]1O 2000830538 QYWFIQQKEADMPL-CKYFFXLPSA-N 302.168 1.129 10 10 DDCE NCc1cc(F)c(N2CC[C@H]3CS(=O)(=O)C[C@H]32)c(F)c1 2151272111 JNSRQOPBHGKZIW-JOYOIKCWSA-N 302.346 1.047 10 10 DDCE NCc1ccc(N2CCC[C@H]3C(=O)NC[C@H]32)cc1Br 300427049 OPTVXUSTZOFJKS-DGCLKSJQSA-N 324.222 1.623 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCCC3CCN(C)CC3)c2n1 2063881980 BWCJCPRHZAWIDO-UHFFFAOYSA-N 317.393 1.205 10 10 DDCE Oc1ccc(Br)cc1CN1CCO[C@H]2COC[C@@H]21 2072492319 AJIWFDQXYIWHMY-AAEUAGOBSA-N 314.179 1.754 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)CC(C)(C)CO 2290033829 WTDOZVPRPQKAEG-NSHDSACASA-N 301.408 1.733 10 10 DDCE NCc1ccc(N2CCC[C@@H]3CNC(=O)[C@@H]32)cc1Br 2264594611 FGTAKUIJOXTSEG-ZWNOBZJWSA-N 324.222 1.623 10 10 DDCE CC[C@H](C)N1C(=O)C(=CNN2CCCCCC2)C(=O)NC1=S 2296110018 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C[C@@](N)(CCO)c1cc(I)ccc1O 238430634 WUPITWPAGXCSBC-SNVBAGLBSA-N 307.131 1.553 10 10 DDCE N[C@H](CO)c1c(O)cc(Br)cc1Br 95715797 UMWARQYDPARPBV-ZCFIWIBFSA-N 310.973 1.909 10 10 DDCE COc1cc2c(c(OC)c1OC)CN(CC(=O)O)CCN2C 527432201 VGEMSZJPQHDFSO-UHFFFAOYSA-N 310.350 1.049 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NCCc2nc(C)no2)c1 273548876 ZZXGUJLOMIECGO-SECBINFHSA-N 305.334 1.764 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CC[C@@](O)(C(F)(F)F)C1 295911401 REDVMEOCIJXEJM-NSHDSACASA-N 309.215 1.376 10 10 DDCE CC(=O)C(=O)COC(=O)c1nnn(-c2ccc(C)cc2)c1C 808507661 SAZMVETWBGLXRY-UHFFFAOYSA-N 301.302 1.199 10 10 DDCE NC(=O)[C@H]1CC[C@H](CNCc2cc([N+](=O)[O-])ccc2O)CC1 817412114 DBXAKVGREVKVHX-XYPYZODXSA-N 307.350 1.682 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1[C@H]2COC[C@H]21 823295258 FOKJDMCKUQWEIH-ZSHCYNCHSA-N 302.374 1.032 10 10 DDCE CN(C)c1ccc(CNC(=O)C2(C(=O)O)CCOCC2)cc1F 911300892 UZQGYPNANYVECU-UHFFFAOYSA-N 324.352 1.389 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@H]1CCCC12OCCO2 923812192 UACVEDUIHLHSPP-ZDUSSCGKSA-N 310.325 1.626 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)NC[C@@H]2CCC[C@@H]3C[C@H]23)cc1 851687599 FUYPRFIQNAAGSG-YCPHGPKFSA-N 315.417 1.480 10 10 DDCE COc1cccc(O)c1CN1CCC(CO[C@@H]2CCNC2)CC1 863652335 WGUYBVWNVKOTRR-OAHLLOKOSA-N 320.433 1.991 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C=O)cn1C 935945658 FVFFGEWNTMISPF-UHFFFAOYSA-N 307.346 1.959 10 10 DDCE CN(C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccn(C)n1 860923674 AKSHRDTUQNZJSN-LBPRGKRZSA-N 320.393 1.996 10 10 DDCE Nc1ccc(OCC(=O)N[C@@H]2CCCC3(C2)OCCO3)cc1 1876434142 MMVSYEICFGPVSD-CYBMUJFWSA-N 306.362 1.450 10 10 DDCE CN1CC(CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)C1 898722560 ZNKXYTCRICMMTB-UHFFFAOYSA-N 306.387 1.946 10 10 DDCE Cc1cc(O)c(CN[C@@H]2C(=O)NCC23CCOCC3)cc1C 895772521 GPSSTILONIFASI-OAHLLOKOSA-N 304.390 1.394 10 10 DDCE CCN(CC)c1ccc(CNC(=O)N[C@@H]2[C@H]3COC[C@H]32)cc1 792885533 XKKXVDYCPLRVKJ-ZSHCYNCHSA-N 303.406 1.977 10 10 DDCE Cc1cc(C(=O)NCc2ccc(O)cc2O)c2c(C)n[nH]c2n1 1142533859 UCFRORYNOXULGJ-UHFFFAOYSA-N 312.329 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NC(=O)CC[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1546327297 LYQKQGZVDSXVBG-LLVKDONJSA-N 306.362 1.144 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncc(C=O)c1 1638348804 ZXZIYHIMATVQPP-JTQLQIEISA-N 300.314 1.666 10 10 DDCE CC(C)(C)N1CC[C@](F)(C(=O)NCc2cc(O)ccc2O)C1 1651225363 GVJNTBJZCSWXNC-MRXNPFEDSA-N 310.369 1.927 10 10 DDCE COCCNCc1ccc(N(CC(N)=O)C(C)C)c(Cl)c1 164011442 QPBSABYWTXZRHC-UHFFFAOYSA-N 313.829 1.776 10 10 DDCE CC1=NN(C(N)=S)C(=O)[C@@H]1N=Nc1ccc([N+](=O)[O-])cc1 253916621 VXFLTQWWAQTHRZ-SECBINFHSA-N 306.307 1.509 10 10 DDCE CC(C)(C)OC(=O)N1CC(CO)(NCc2ccc(O)cc2O)C1 1918434439 XDILSEFSWMIVLQ-UHFFFAOYSA-N 324.377 1.169 10 10 DDCE CC(C)(C)OC(=O)NC1CC(O)([C@H](N)c2ccccc2O)C1 1921880831 LEXOPOYUYOVUSB-XNVJVGRKSA-N 308.378 1.810 10 10 DDCE O=C(O)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 1935727769 OAUMAMUGBPRNON-UHFFFAOYSA-N 315.325 1.754 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1(C)C 1980369118 HGSXWOAXZZWSNM-BGOOENEXSA-N 324.421 1.801 10 10 DDCE 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302.334 1.138 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)Cc3occc3C)c2n1 2064161625 JLZJCFISGYEKIB-UHFFFAOYSA-N 300.318 1.917 10 10 DDCE CCc1cc(C(=O)N(C)C)n(Cc2ccc(OC)cc2O)n1 2070069816 QYZNTJYBWDUCLQ-UHFFFAOYSA-N 303.362 1.910 10 10 DDCE C[C@H](O)[C@H]1CN(c2ccc(CN)c(Br)c2)CCO1 2053847028 OOBBWDAJOYQBFU-TVQRCGJNSA-N 315.211 1.494 10 10 DDCE C[C@@H]1CC[C@H](COc2nnc(=N)[nH]n2)CN1C(=O)OC(C)(C)C 2210648299 WAUWYKFCQQCMOS-ZJUUUORDSA-N 324.385 1.094 10 10 DDCE CSc1ncc(CN2[C@H](C(=O)O)CC[C@@H]2C(=O)O)s1 2269118563 JZGVUKXBAFTMGS-OCAPTIKFSA-N 302.377 1.367 10 10 DDCE CSc1ncc(CNC(=O)C[C@H]2CNC[C@@H](C)O2)s1 2269254713 JRDHTFYKNBUOIB-BDAKNGLRSA-N 301.437 1.248 10 10 DDCE Cc1cccc2c1N(C)C(=O)C2=C1SC(=S)N(N)C1=O 2295502314 OTVHZNYTJZWFCN-UHFFFAOYSA-N 305.384 1.417 10 10 DDCE CCN1C(=O)C(=CN[C@@H]2CCC[C@H](C)[C@H]2C)C(=O)NC1=S 2296169483 XBVBDIQWIYUKSX-HOSYDEDBSA-N 309.435 1.548 10 10 DDCE CCNC=C1C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O 2297315628 PJWKTCYKWRUSMY-UHFFFAOYSA-N 301.346 1.688 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NC[C@@H](O)Cc1ccccc1 2307989766 IQFCHKBUDZMXLL-HNNXBMFYSA-N 313.353 1.831 10 10 DDCE C[C@@H](O)c1ccc(N2CC([C@H](O)CO)C2)c(Br)c1 2315277013 WWIQBYWAVMFZQU-AMIZOPFISA-N 316.195 1.292 10 10 DDCE C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)C[C@@H]1N1CCOCC1 177224077 PTZRVRWUWJIGEC-DOMZBBRYSA-N 321.377 1.453 10 10 DDCE C[C@H](O)c1cc(F)c(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(F)c1 2361479186 SNVAMKSWJJNELA-LPBBDHJYSA-N 303.330 1.251 10 10 DDCE CN[C@H](C)c1ccc(N2CCNC(=O)C2)c(Br)c1 61694439 SZSAYDAQKVMARO-SECBINFHSA-N 312.211 1.666 10 10 DDCE COC[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 301679531 JARLBHXBBHIKEG-JTQLQIEISA-N 321.333 1.789 10 10 DDCE CN(C)c1ccc(CNC(=O)Cn2c(=O)[nH]c3ccccc32)cc1 78873634 VTPVFEIYKIWNIK-UHFFFAOYSA-N 324.384 1.712 10 10 DDCE CO[C@H](CCS(C)(=O)=O)CNCc1cccc(Cl)c1O 2364219149 IDJBFJIBJMHDLQ-LLVKDONJSA-N 321.826 1.585 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cc(C(N)=O)cn2C)cc1F 87219610 XDLGNXDIDCQBNZ-UHFFFAOYSA-N 318.352 1.259 10 10 DDCE COC(=O)[C@H](CC(C)C)NS(=O)(=O)Cc1ccc(N)cc1 43429778 CIVBGHXLYWGGCT-ZDUSSCGKSA-N 314.407 1.276 10 10 DDCE CCS(=O)(=O)N1CC(CNCc2ccc3c(c2)CCN3C)C1 190289142 AXTFCQWGODUSGV-UHFFFAOYSA-N 323.462 1.050 10 10 DDCE N=[N+]=CC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 96295151 BAAMNSBTMNZWBE-HNNXBMFYSA-N 320.328 1.773 10 10 DDCE COc1ccc(O)c(CN2C[C@H](C)[C@H](N3CCOCC3)C2)c1 245940815 UIFNEZBQMXQEMY-XJKSGUPXSA-N 306.406 1.553 10 10 DDCE CNC(=O)C1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 271051652 PXSUQPFQJULJPI-UHFFFAOYSA-N 323.349 1.574 10 10 DDCE CCN1CC[C@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1=O 801799850 MSLHBCNCBYASTP-GWCFXTLKSA-N 321.377 1.382 10 10 DDCE C/C=C/[C@H](O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 912709918 YOALQADEZLKHQH-KZSQQDEKSA-N 304.390 1.201 10 10 DDCE CCN(CC)c1ccc(CNC(=O)NC[C@@](C)(CO)OC)cc1 847292248 RIRALHILTSMJSN-KRWDZBQOSA-N 323.437 1.729 10 10 DDCE COc1cccc(CNC(=O)N[C@@H](CN)C(F)(F)F)c1O 848595004 IYWCTZJFIVAJRM-VIFPVBQESA-N 307.272 1.090 10 10 DDCE CCN(CC)c1ccc(CNC(=O)C[C@H](C)NC(N)=O)cc1F 847476253 XTNAQCRRNWEFDY-NSHDSACASA-N 324.400 1.735 10 10 DDCE COC(=O)/C(C)=C/CNC(=O)N[C@H](C)c1cc(OC)ccc1O 925030404 WFZZNCOKPFQYRF-PFEDMVJOSA-N 322.361 1.880 10 10 DDCE COc1ccc(N2CCN(C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1 929153095 OVUHLSQFCXIPQB-JLSDUUJJSA-N 318.417 1.621 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)[C@@H]2CCNC2=O)c([N+](=O)[O-])c1 758284457 GFEDOCJSKCIOCH-FVOPLDGLSA-N 319.317 1.106 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C3CCOCC3)C2)cc1 855228986 IMTRKLXYCHFCII-CQSZACIVSA-N 304.390 1.817 10 10 DDCE COc1cccc(O)c1CNCC[S@@](=O)CC(F)(F)F 850347933 AWJRDHDCRABCBL-HXUWFJFHSA-N 311.325 1.801 10 10 DDCE NC(=O)C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCO1 862535688 WJNCHLFMJLJXRT-JTQLQIEISA-N 302.733 1.261 10 10 DDCE COCCn1ncc(C(=O)NCc2ccc(O)c(O)c2)c1C 866769368 KNFGIBLMNQREMI-UHFFFAOYSA-N 305.334 1.179 10 10 DDCE CC(C)(O)C[C@H](O)CNCc1ccc(N2CCOCC2)cc1 872198951 FXYAVJDAFLCEMV-INIZCTEOSA-N 308.422 1.135 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCC[C@@H]3CCNC(=O)[C@@H]32)c1O 880528191 ZANSGUNCMAUFRU-IAQYHMDHSA-N 320.364 1.834 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1c2ccccc2C(=O)OC12CCC2 885507388 WMCQNEJHABOMLC-CQSZACIVSA-N 316.309 1.565 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1[C@@H]2CCCO[C@@H]21 780395889 AHCZWTUSMAENCA-BBWFWOEESA-N 316.401 1.564 10 10 DDCE C[C@H](NCc1cc([N+](=O)[O-])ccc1O)C1(S(C)(=O)=O)CC1 796490490 OCVMHQISMGYSRU-VIFPVBQESA-N 314.363 1.356 10 10 DDCE CCC[C@H](C(=O)N[C@@H](C)c1ccccc1O)S(N)(=O)=O 1302538239 KRTFMBIFJFKOOT-JOYOIKCWSA-N 300.380 1.027 10 10 DDCE O=C(Cn1ccc(C(F)(F)F)n1)NCc1cc(O)ccc1O 1303223519 SPIFSKMICSRLCN-UHFFFAOYSA-N 315.251 1.630 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@H](NS(C)(=O)=O)C2)cc1Cl 702987869 KKZXRXJSSPIMTE-ZJUUUORDSA-N 318.826 1.521 10 10 DDCE CCS(=O)(=O)C1(CNCc2cc(F)cc(F)c2O)CC1 708518009 XUAKEVKCTSCSOR-UHFFFAOYSA-N 305.346 1.727 10 10 DDCE Cc1cc(O)c(CN2CCC(OCC(N)=O)CC2)c(Cl)c1 1348494390 YKEOFWWEUNLIEQ-UHFFFAOYSA-N 312.797 1.820 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cc([N+](=O)[O-])ccc1O 1466628981 MRHOQSIZDWZKOT-UHFFFAOYSA-N 304.258 1.893 10 10 DDCE 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1915701966 UWVXFTODQFXRNS-NSHDSACASA-N 313.151 1.270 10 10 DDCE OC[C@H]1CO[C@H](CNCc2cccc(Br)c2O)C1 1967894925 IENSGICSTGAVDL-ONGXEEELSA-N 316.195 1.642 10 10 DDCE CN(C)c1ccc([C@]2(O)COC[C@H]2NC(=O)OC(C)(C)C)cc1 1977960026 UTGHLVAEWCNACG-RHSMWYFYSA-N 322.405 1.864 10 10 DDCE O=C1CCC[C@H](CNCc2ccc(Br)cc2O)N1 2028879347 VQPYPRMEMGINRW-LLVKDONJSA-N 313.195 1.913 10 10 DDCE N[C@]1(C(=O)O)CCN(Cc2c(O)cccc2Br)C1 706806574 PTVLYYRPZATLOQ-GFCCVEGCSA-N 315.167 1.143 10 10 DDCE CN(C)C[C@H](O)CNCc1cc(Br)ccc1O 717342494 QPTSXTFPBULQCB-LLVKDONJSA-N 303.200 1.167 10 10 DDCE CN1C[C@@H](C(=O)N2Cc3cccc(O)c3C2)[C@H](C(F)(F)F)C1 2065188585 RQRCYRPMTDKMSN-VXGBXAGGSA-N 314.307 1.975 10 10 DDCE CS(=O)(=O)c1cnn(Cc2cccc(Cl)c2O)c1O 2070260464 ZUGWHOVFGHNVHF-UHFFFAOYSA-N 302.739 1.400 10 10 DDCE CN[C@H](C)c1ccc(N2CC(O)(CO)C2)c(Br)c1 2051903123 RQTXEJLBCGJVJX-SECBINFHSA-N 315.211 1.273 10 10 DDCE C[C@@H](N)c1cc(F)c(N(C)CCCS(C)(=O)=O)c(F)c1 2194710846 SNIUNEQCMKPFLG-SECBINFHSA-N 306.378 1.855 10 10 DDCE 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815150890 GDLPPECQPLFSIX-GFCCVEGCSA-N 307.369 1.424 10 10 DDCE COCCn1c(C)c(C)c2cc(C(=O)NCC3CNC3)ccc21 653127512 FVTYHDBELZHDIF-UHFFFAOYSA-N 315.417 1.854 10 10 DDCE CN(C)c1ccc(CNS(=O)(=O)c2cnc(N)s2)cc1 722230967 VZUGGWUXOACHOM-UHFFFAOYSA-N 312.420 1.270 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCCN(C2CC2)CC1 588405647 WTBABAVWDUPBRN-CLTKARDFSA-N 302.374 1.808 10 10 DDCE CN(C)c1ncccc1CNC(=O)NCCc1ccc(N)cc1 841693892 RXEBPKXQIJVWBW-UHFFFAOYSA-N 313.405 1.772 10 10 DDCE COc1ccc(N2CC[C@@H](NS(=O)(=O)CCC3CC3)C2)cc1 849416898 YSDMAOFXJVQRGJ-CQSZACIVSA-N 324.446 1.993 10 10 DDCE COC[C@H]1C(=O)N[C@H](c2cc(Br)ccc2O)N1C 840828398 IPKLXIUPUWANEW-ONGXEEELSA-N 315.167 1.230 10 10 DDCE CCN(Cc1cc(Br)ccc1O)C[C@@H](O)CO 929755148 JNECBUBONQURQU-LLVKDONJSA-N 304.184 1.330 10 10 DDCE COc1ccc(N2CCN([C@H]3CCN(OC)C3=O)CC2)cc1F 929824601 XHEUJIBDJYZVLO-AWEZNQCLSA-N 323.368 1.119 10 10 DDCE CN(C)c1ccc(CN(c2cncc(C(N)=O)n2)C2CC2)cc1 750016575 AIGZDTMHHMFROE-UHFFFAOYSA-N 311.389 1.811 10 10 DDCE C[C@]12COC[C@@]1(C)CN(C(=O)NCCc1ccc(N)cc1)C2 851662698 GMIDFIXUAAJTAU-CALCHBBNSA-N 303.406 1.879 10 10 DDCE Nc1ccc(NC(=O)C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)cc1 868296020 IZSPMIDWKQBVDL-CABCVRRESA-N 317.389 1.671 10 10 DDCE COc1cccc([C@H](C)N[C@H]2CCN(CC(C)(C)O)C2)c1O 866414063 ZGTLHHCAFMDLLE-STQMWFEESA-N 308.422 1.897 10 10 DDCE O=C(Cc1ccccc1)NCCC(=O)N1Cc2cccc(O)c2C1 871198659 MHTWGVJWYFSQFJ-UHFFFAOYSA-N 324.380 1.983 10 10 DDCE CC(=O)N1CC(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 1124622733 KIVGQDITZXURMD-UHFFFAOYSA-N 315.417 1.724 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)NCc2cscn2)cc1 785438210 ALQVMERSMIGBPY-UHFFFAOYSA-N 318.402 1.142 10 10 DDCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H]1C(N)=O 794156598 VJXPMSWIJKCGQV-CZUORRHYSA-N 303.406 1.076 10 10 DDCE CN([C@H]1CCCSC1)S(=O)(=O)Cc1ccc(N)cc1 689516793 BFURNUQDNVAZGS-ZDUSSCGKSA-N 300.449 1.926 10 10 DDCE CO[C@@](C)(CO)CNCc1cc(Br)cc(F)c1O 715720762 KLPIDTOTLBRZFT-GFCCVEGCSA-N 322.174 1.781 10 10 DDCE C[C@@](O)(CNC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 1447190581 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307.346 1.442 10 10 DDCE COC(=O)N1CCC(CNC(=O)Cc2ccc(O)c(O)c2)CC1 1634909279 OIRRCMPXBQAGKG-UHFFFAOYSA-N 322.361 1.235 10 10 DDCE CCN(CCCNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)=O 1720612198 FLOBWQCIBTZJCL-UHFFFAOYSA-N 319.365 1.837 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)[C@H]2CCOC2)cc1C 1568982525 BNDUTJWKFUGXMR-HIFRSBDPSA-N 306.406 1.634 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)c1ccc(O)cc1 1567467351 HUHBPXPTEOYGSH-JTQLQIEISA-N 315.325 1.734 10 10 DDCE Cc1ccc(C(=O)NCCCOc2ncccn2)c(O)c1O 1640304778 LRRDHKIDKHNFSE-UHFFFAOYSA-N 303.318 1.395 10 10 DDCE O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cc(O)c(O)c(O)c1 1865876227 YCIJXYQCXYRRCR-LLVKDONJSA-N 317.297 1.229 10 10 DDCE N[C@@H]1CC(C(=O)N2CCc3cccc(Br)c32)=C[C@H]1O 2131468894 IXRNLEORLKFWFX-VXGBXAGGSA-N 323.190 1.357 10 10 DDCE Cc1cc(=O)c(O[C@H](C)C(=O)O)cn1Cc1ccc(N)cc1 1857915330 RGFBRIYBQQHBPY-LLVKDONJSA-N 302.330 1.639 10 10 DDCE [N-]=[N+]=NC1CN(S(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)C1 1912156011 SAMNXXXVKFSTPV-UHFFFAOYSA-N 301.259 1.417 10 10 DDCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCc2c(Br)cccc21 2134590788 WMSSNTFMLMRWEY-GFCCVEGCSA-N 324.182 1.976 10 10 DDCE COc1ccc(N(C)[C@H](CN)CNC(=O)OC(C)(C)C)cc1 226194993 ZLIISTOJPFKIFC-CYBMUJFWSA-N 309.410 1.983 10 10 DDCE CN1[C@@H](CNCc2ccc(Cl)cc2O)CCS1(=O)=O 1967748535 QJWPGBRVIZVRQB-LLVKDONJSA-N 304.799 1.169 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NCc1ccccc1O 1930121583 UMCPMQJLTNTRMG-OLZOCXBDSA-N 308.378 1.774 10 10 DDCE N[C@H](c1ccc(OCc2ccccc2)cc1O)[C@@H](O)C(=O)O 1952191216 SHHNETUHYDPNSL-HUUCEWRRSA-N 303.314 1.417 10 10 DDCE O=C(O)[C@@H]1[C@@H]2OCCN(Cc3cc(Cl)cc(Cl)c3O)[C@@H]21 2149278166 BCLYCMXUKPKBJW-UMNHJUIQSA-N 318.156 1.983 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)c1ccc(O)c(O)c1 1982310440 VIOFVEQWNCXIBH-NSHDSACASA-N 322.361 1.837 10 10 DDCE O=C(c1ccc(O)c(O)c1)N(OCc1ccccc1)C1CNC1 1982823277 LCZUHBGIRDDGPN-UHFFFAOYSA-N 314.341 1.644 10 10 DDCE O=S(=O)(NCCNCc1cc(F)ccc1O)C(F)(F)F 2159524425 JAGBGFFAORVHHY-UHFFFAOYSA-N 316.276 1.060 10 10 DDCE CCOC(=O)[C@](C)(NCCCN=[N+]=[N-])[C@@H](C)S(C)(=O)=O 2170651127 SFQQUPSQCKWBSQ-MWLCHTKSSA-N 306.388 1.031 10 10 DDCE CS[C@@H]1CN(c2c(F)cc(CO)cc2F)C[C@@H]1N(C)C 2170705852 LYTANSFYSBDRBX-QWHCGFSZSA-N 302.390 1.939 10 10 DDCE Cc1nncn1CCNCc1cc(Br)ccc1O 390848639 GWROIWBDYKRSSS-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE CN[C@H](C)c1ccc(N2CC(C(N)=O)C2)c(Br)c1 723167608 SXYWTYLVBIIMPM-MRVPVSSYSA-N 312.211 1.651 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)c3cnc(C)s3)c2n1 2063772016 XNIJMUFUCSBDIH-QMMMGPOBSA-N 317.374 1.999 10 10 DDCE NCc1cc(F)c(N2C[C@H]3COC[C@@H](C2)[C@@H]3O)cc1Cl 2189043782 NJRIDOAZWNTXQC-MSRIBSCDSA-N 300.761 1.381 10 10 DDCE C[C@]1(CNCc2c(O)cccc2F)CCCS(=O)(=O)C1 2194278266 FPGGZYUJMGYOTG-CQSZACIVSA-N 301.383 1.836 10 10 DDCE CC1(C)OC[C@H](NCc2cccc(Br)c2O)[C@@H]1O 2078736431 FETYZQCXCVSKPO-JQWIXIFHSA-N 316.195 1.783 10 10 DDCE CC1(C)OC[C@H](NCc2ccc(Br)cc2O)[C@@H]1O 2078735087 WPDOGGIRPRBGIR-JQWIXIFHSA-N 316.195 1.783 10 10 DDCE Oc1ccc(Br)cc1CN[C@@H]1CCc2nncn2C1 2103716387 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DDCE CCN[C@@H]1C(=O)Nc2cc(N3CCC[C@@H](O)C3)c(Cl)cc21 221195568 XLXYTONQSNDQEU-OTYXRUKQSA-N 309.797 1.904 10 10 DDCE Cc1nccc(N2CCN(C(=O)c3cccc(O)c3O)CC2)n1 193163305 JEAKUUHWDDXICM-UHFFFAOYSA-N 314.345 1.159 10 10 DDCE CC(=O)Nc1ccc(N=N[C@H]2C(=O)N(C(N)=S)N=C2C)cc1 252461062 KGSPSFYUKAEUTM-LLVKDONJSA-N 318.362 1.559 10 10 DDCE CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCc1ccc(N)cc1 372572130 OFKSTOHAEQJICZ-RKVPGOIHSA-N 317.433 1.460 10 10 DDCE CCN1CC[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1=O 801799849 MRABJBMJQDJQIY-ZDUSSCGKSA-N 322.384 1.312 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@H]2CC(c3ccccn3)=NO2)cc1 905317118 GEFGWMRZFVPWFD-QGZVFWFLSA-N 324.384 1.957 10 10 DDCE COc1ccc(O)c(CNCC[S@](=O)CC(F)(F)F)c1 826868339 RDIDXMDAPYRLEJ-FQEVSTJZSA-N 311.325 1.801 10 10 DDCE C/C=C/[C@H](O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 900387104 QPBFUUUFQUTAMB-DNKIIHMASA-N 304.390 1.637 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\Cn1cncn1 900896110 UILMIMZYFCSAAO-ARJAWSKDSA-N 313.361 1.326 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnn(-c2ncccn2)c1 588407069 UFAHDQDXZSSIOX-HYXAFXHYSA-N 323.312 1.725 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCCOC2)cc1 844956855 OCFFNFRVZZGLFS-CQSZACIVSA-N 321.421 1.952 10 10 DDCE O=C(O)C1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 857097902 XFYUZISMDMBOAS-UHFFFAOYSA-N 303.362 1.513 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CCn3ccnn3)C2)cc1 855223785 HXDDWVLWSKPVDM-ZDUSSCGKSA-N 315.377 1.072 10 10 DDCE CN(C)c1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)ns1 759595879 RTJIPJORHQDNGN-GQCTYLIASA-N 321.358 1.772 10 10 DDCE CCn1ncc(CN[C@H]2CCN(c3ccc(OC)cc3)C2)n1 850347694 VYQSYCWZQCNSFJ-ZDUSSCGKSA-N 301.394 1.675 10 10 DDCE CO[C@H](CNC(=O)N[C@H](C)c1ccccc1O)[C@@H]1CCOC1 868759862 OZOBAAVQVCWABS-LALPHHSUSA-N 308.378 1.804 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCCOCCCN 861689607 DCSXLVSUHFDTQJ-UHFFFAOYSA-N 308.426 1.259 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC(CCO)C2)c([N+](=O)[O-])c1 775686602 KYCPHEAWDBNRPY-HYXAFXHYSA-N 306.318 1.600 10 10 DDCE CN(Cc1cc2c(cc1O)CCC2)[C@H]1CCN(S(C)(=O)=O)C1 793588848 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CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1468094412 ZSGJQODLUJJOJT-NEPJUHHUSA-N 307.346 1.488 10 10 DDCE CCOC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)N(CC)CC 1614533653 SPWWRQVAFNVBHZ-GFCCVEGCSA-N 324.377 1.623 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)cc1 1631900582 DQOFSXMWENXSJH-HJTOQOCKSA-N 306.347 1.194 10 10 DDCE O=C(c1cccc(-n2cnnn2)c1)N1Cc2cccc(O)c2C1 1643168776 ISLNZWYVLPMXPI-UHFFFAOYSA-N 307.313 1.524 10 10 DDCE CCCCCS(=O)(=O)CC(=O)NCc1c(O)cccc1O 1652626532 XVXIYLHJEOXLGH-UHFFFAOYSA-N 315.391 1.319 10 10 DDCE COc1ccccc1[C@@H](O)C(=O)NCc1cccc(O)c1O 1593744587 QFIUFMFZPUNBPT-OAHLLOKOSA-N 303.314 1.456 10 10 DDCE O=S(=O)(NCCNCc1ccc(Cl)cc1O)C(F)F 1964620171 FORWTYBBEMVFPL-UHFFFAOYSA-N 314.741 1.277 10 10 DDCE C[C@@H]1SC(=S)N(CCCC(=O)NC[C@@H]2CCCO2)C1=O 11636190 XKBWLIPJDCXUMR-UWVGGRQHSA-N 316.448 1.311 10 10 DDCE CN(C)c1cccc(NS(=O)(=O)c2ccc(O)c(N)c2)c1 161060782 OCGFCWIWJYABPL-UHFFFAOYSA-N 307.375 1.841 10 10 DDCE CNCc1ccc(N2CCNC(=O)[C@@H]2C)c(C(F)(F)F)c1 163715340 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DDCE Nc1ccc(CS(=O)(=O)N2CCSCC(F)(F)C2)cc1 2193337813 QHYVFKCCANHDQY-UHFFFAOYSA-N 322.402 1.783 10 10 DDCE CO[C@@H]1C[C@H](NCc2cccc(Br)c2O)C[C@H]1O 2067189187 PJEBENCJKNEDSR-YUSALJHKSA-N 316.195 1.783 10 10 DDCE CN1C[C@H](N(C)c2ccc(CO)cc2Br)CC1=O 2068213329 YUASWTYULZXZIV-SNVBAGLBSA-N 313.195 1.608 10 10 DDCE COc1ccc(N(CCCN)C[C@H](O)P(C)(C)=O)cc1 2237211547 UMJFMEVSPXGGPL-CQSZACIVSA-N 300.339 1.792 10 10 DDCE O=C(N=c1[nH]c(Cl)ncc1Cl)c1cccc(O)c1O 2227228651 UDXDZRCJGYLYES-UHFFFAOYSA-N 300.101 1.869 10 10 DDCE COc1cccc(C=C2SC(N3CCN(C)CC3)=NC2=O)c1 2296679718 CIXQZIYTNUFJGU-UHFFFAOYSA-N 317.414 1.913 10 10 DDCE C[C@H](Nc1cccc(S(N)(=O)=O)c1)c1cc(O)ccc1O 20004719 MYEUKNXXNCHEFF-VIFPVBQESA-N 308.359 1.918 10 10 DDCE CN(c1ccc(CN)cc1F)[C@H]1CC[C@@H](S(C)(=O)=O)C1 2361666652 IBJJZEZOKAQHCJ-NWDGAFQWSA-N 300.399 1.686 10 10 DDCE CC[C@H](NCC(=O)NC)c1cc(Br)ccc1O 37224811 OKDQWXZNDWUDHV-JTQLQIEISA-N 301.184 1.941 10 10 DDCE CN(C)c1ccc(CNc2cncc(OCCO)n2)cc1F 132052982 ZEOQIINYWGRKEM-UHFFFAOYSA-N 306.341 1.665 10 10 DDCE CCn1cc(NS(=O)(=O)Cc2ccc(N)cc2)ccc1=O 40349218 DZJURPIOBPTAQO-UHFFFAOYSA-N 307.375 1.392 10 10 DDCE Cc1cccc(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1O 289311516 DSIJVHGRVPTIEW-CQSZACIVSA-N 312.435 1.556 10 10 DDCE Cc1ccc(C(=O)NCC2(O)Cc3ccccc3C2)c(O)c1O 374750460 MIUGBZPLHOONGX-UHFFFAOYSA-N 313.353 1.666 10 10 DDCE CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@@H](O)C(F)F 296492260 XMCSVGXQJUPNRB-QWHCGFSZSA-N 315.364 1.956 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H](NS(C)(=O)=O)C2)cc1Cl 703136212 DFRIWJHBFDLEAS-UWVGGRQHSA-N 317.842 1.488 10 10 DDCE CCS(=O)(=O)NC1CN(c2ccc(CNC)c(Cl)c2)C1 2165584014 OOSATGXSZLYUKY-UHFFFAOYSA-N 317.842 1.187 10 10 DDCE CC[C@@H]1[C@@H](CO)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1O 824636524 ROHHKSLMNCKRGK-VXGBXAGGSA-N 310.350 1.902 10 10 DDCE CO[C@@]1(CN[C@H](C)c2c(O)cccc2F)CCS(=O)(=O)C1 903363624 PRVVCGKVEIBAJD-QMTHXVAHSA-N 317.382 1.386 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@@H](O)Cn2ccnn2)cc1 839178793 HIAWPVGTMPLIRL-QDLOVBKTSA-N 301.394 1.008 10 10 DDCE COC(=O)CN(C/C=C/c1ccc(N(C)C)cc1)CC(=O)OC 835025738 MGZIEHMSMDDDCM-AATRIKPKSA-N 320.389 1.414 10 10 DDCE CC(C)n1cnc(NC(=O)C(=O)N(C)Cc2ccccc2O)n1 845828344 NUVAAUVSKVTISO-UHFFFAOYSA-N 317.349 1.162 10 10 DDCE O=C1N=C(N2CCOCC2)S/C1=C\c1cc2n(n1)CCCC2 848638080 BJXVXBRCSBWGPX-RAXLEYEMSA-N 318.402 1.522 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CCC[C@H]2NCC[C@H]21 923415697 IXWXYXWNLLJHAH-QZTJIDSGSA-N 301.434 1.850 10 10 DDCE O=C(NCCC[C@@H]1CCOC1=O)NCc1c(O)cccc1F 923976314 RADBPDLVTTVZAD-SNVBAGLBSA-N 310.325 1.674 10 10 DDCE COCc1cc(O)ccc1NS(=O)(=O)N1CCC[C@@H]1C 840918040 OWNSFQLHNBBDAL-JTQLQIEISA-N 300.380 1.680 10 10 DDCE CCN(CC)c1ccc(CNC[C@@]2(CO)COCCN2C)cc1 922540286 QQCIPQUAXZBSAO-GOSISDBHSA-N 321.465 1.316 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CCOC[C@H]3C)C2)cc1 852451508 MHJJKVAIAZOZAJ-KGLIPLIRSA-N 319.405 1.704 10 10 DDCE CO[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCOC1 855211976 UOXWLGXKMSBRAU-BYSCNOHMSA-N 307.346 1.279 10 10 DDCE Nc1ccc(CCNC(=O)N2C[C@H]3[C@H]4CC[C@@H](NC4)[C@H]3C2)cc1 861641828 XEJXFKFNKYUQSR-QSPRXWTASA-N 314.433 1.451 10 10 DDCE COCCn1ncc(C(=O)NCc2ccc(N(C)C)cc2)c1C 864573112 GFPVNVRWIKUNOT-UHFFFAOYSA-N 316.405 1.834 10 10 DDCE N=c1cc(C(=O)NCc2ccc(N)cc2)c(Br)c[nH]1 1876516431 XJUGZSNSRWOEGT-UHFFFAOYSA-N 321.178 1.769 10 10 DDCE CCCN(CCC)c1ccc(CN2C[C@H](O)C[C@H]2C(N)=O)cc1 895367875 LKRQFIXEOKPSFU-SJORKVTESA-N 319.449 1.734 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1c[nH]nc1[C@H]1CCCO1 1142537789 TWZSJWKKMCHVFO-CYBMUJFWSA-N 303.318 1.602 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccccc1-n1cnnn1 1153791745 IJGKUDYWIVEUAB-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE NC(=O)c1ccc(CCC(=O)NCc2cccc(O)c2O)cc1 1153798092 LTQKBOSNKPITCT-UHFFFAOYSA-N 314.341 1.446 10 10 DDCE CC(=O)Nc1ccc(O)c(C(=O)NCc2cc(O)ccc2O)c1 1303225915 RWMCEKNYBROCNC-UHFFFAOYSA-N 316.313 1.692 10 10 DDCE CC(=O)Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1 1304049630 AUJVBBIBRLDHPL-UHFFFAOYSA-N 300.314 1.986 10 10 DDCE COc1cc(Cl)cc(CNCCN2CCOCC2)c1O 76274223 UWGROGKKAGWNRA-UHFFFAOYSA-N 300.786 1.476 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)[C@H](O)c1ccccn1 1162612775 PVXLDDHADFXJHP-MRXNPFEDSA-N 309.325 1.685 10 10 DDCE CC(C)(C)OC(=O)NC[C@]12CN(CCN=[N+]=[N-])C[C@H]1CCO2 1962461184 WWHRGQULJRRXOA-RISCZKNCSA-N 311.386 1.912 10 10 DDCE Cn1ncc(Br)c1CNCc1ccc(O)cc1O 710534767 FRQHQOVHLMALBC-UHFFFAOYSA-N 312.167 1.884 10 10 DDCE CC(C)(C)OC(=O)NCCOCC(=O)NCCCN=[N+]=[N-] 1963699711 RLYABXZLDQGHHK-UHFFFAOYSA-N 301.347 1.344 10 10 DDCE CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 1337042696 RIRYOYZOKATIAH-OAHLLOKOSA-N 323.462 1.410 10 10 DDCE CC(C)(C)N1C[C@H](CNC(=O)Cc2ccc(O)c(O)c2)CC1=O 1453745051 VHLLUBAXQFXNPM-LBPRGKRZSA-N 320.389 1.404 10 10 DDCE CCS(=O)(=O)CCCNC(=O)/C=C\c1ccc(O)c(O)c1 1299373887 NDOAKNFHJDLENV-ALCCZGGFSA-N 313.375 1.052 10 10 DDCE C[C@@H](NC(=O)NCc1nnnn1CC1CC1)c1ccccc1O 1478502819 LWMMXDKMINFGMW-SNVBAGLBSA-N 316.365 1.349 10 10 DDCE Cn1nc(C(=O)NCc2cc(O)ccc2O)cc1OC(F)F 1637125952 IURKJOROSBYSPO-UHFFFAOYSA-N 313.260 1.363 10 10 DDCE O=Cc1cccc(OCCC(=O)NCc2c(O)cccc2O)c1 1647268801 CWLCGOMSBNNIEB-UHFFFAOYSA-N 315.325 1.996 10 10 DDCE Nc1ccc(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)cc1 1865955549 ZCJYGTCEDOEYIQ-HNNXBMFYSA-N 316.332 1.763 10 10 DDCE COc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c(O)c1 11959234 DNSBYNMUZLNKNB-CHWSQXEVSA-N 307.346 1.908 10 10 DDCE Cc1c(OCc2ccc(N)cc2)c(=O)ccn1CCC(=O)O 1857909769 KYMZWMPYEJJVLL-UHFFFAOYSA-N 302.330 1.793 10 10 DDCE CC(C)(C)OC(=O)N1CCN[C@H](Cc2ccc(O)c(O)c2)C1 1952236307 LOKJMBCTFYNHOO-GFCCVEGCSA-N 308.378 1.849 10 10 DDCE C[C@]12CSC[C@H]1CN(S(=O)(=O)Cc1ccc(N)cc1)C2 2144751775 GXDXEIRUUJPBIX-OCCSQVGLSA-N 312.460 1.784 10 10 DDCE C[C@H](N)c1ccc(N2CCC[C@@H]2CS(C)(=O)=O)c(F)c1 2151281029 MVMDINKGTHAGEI-CMPLNLGQSA-N 300.399 1.859 10 10 DDCE CCOC(=O)C=C(N)N1CCN(c2ccc(OC)cc2)CC1 2038962142 RMMLIXYKKFZIQE-UHFFFAOYSA-N 305.378 1.180 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@]1(CO)CC2CCC1CC2 2062345384 QTPGVDMRJSNWJQ-FWXSHLFISA-N 305.374 1.698 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)c1cncc(N2CCOCC2)c1 2064045283 VKVRATFJEBAYPP-UHFFFAOYSA-N 315.329 1.582 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCOC[C@H]3CC(C)C)c2n1 2064764977 WBBIIUWVYAIYQK-GFCCVEGCSA-N 318.377 1.630 10 10 DDCE C[C@@H]([C@@H](C)N(C)c1ccc(CN)c(F)c1F)S(C)(=O)=O 2170629470 FBYPBBFSJBXZAE-BDAKNGLRSA-N 306.378 1.681 10 10 DDCE NCc1cc(F)c(N2CC([C@H](F)CO)C2)cc1Br 2048037608 ZSYUAFKHWIZVMZ-LLVKDONJSA-N 321.165 1.814 10 10 DDCE C[C@]1(CO)COCCN1c1ccc(CO)c(Br)c1 2049911840 GKXQAVYPUGECQZ-ZDUSSCGKSA-N 316.195 1.529 10 10 DDCE NCc1ccc(N2C[C@H]3NC(=O)O[C@@H]3C2)cc1Br 2056816931 URULMIVAYFMAHP-GHMZBOCLSA-N 312.167 1.205 10 10 DDCE OCc1ccc(N2CCC[C@@H]2[C@@H](O)CO)c(Br)c1 2059215771 AJIRVEMWDWRODH-OLZOCXBDSA-N 316.195 1.263 10 10 DDCE C[C@@H]1C[C@@]1(F)CNS(=O)(=O)CCOc1ccc(N)cc1 2206308863 YBEUUGQNIKSAAA-ZWNOBZJWSA-N 302.371 1.315 10 10 DDCE C[C@@H](O)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)c(F)c1 2206681604 HXNNKCJCPVAQSN-SSDOTTSWSA-N 309.309 1.705 10 10 DDCE CCN(C(=O)NCc1cnc(SC)s1)[C@H](C)C(=O)O 2269123165 GJZPDCNIGKGZKF-SSDOTTSWSA-N 303.409 1.870 10 10 DDCE Cc1ccc(CN2C(=O)[C@H]3C[C@@H]3C2=O)c(O)c1Br 2327796932 PABHFJRWVUGDCR-IUCAKERBSA-N 310.147 1.968 10 10 DDCE COC[C@H]1CC[C@]1(NCc1cnc(SC)s1)C(=O)O 2349508693 QVKIEOGJRUJCQJ-PRHODGIISA-N 302.421 1.834 10 10 DDCE CC(=O)N(C(=O)C(=O)Nc1nccs1)c1ccc(N)cc1 170318475 XHFRWPBBXWAPFS-UHFFFAOYSA-N 304.331 1.244 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)c1c[nH]ccc1=O 71223343 YJJJOZYEMKGATM-SNVBAGLBSA-N 308.359 1.462 10 10 DDCE CC(C)S(=O)(=O)N(C)Nc1nc([C@H]2C[C@H]2C(=O)O)cs1 2365338319 AMVUWHDBAUOODI-JGVFFNPUSA-N 319.408 1.328 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@@H](C4CC4)C3)cc2N1 375333414 PMPDLLYRSXPSSV-CQSZACIVSA-N 319.317 1.541 10 10 DDCE COc1ccc(C(C)(C)C(=O)OCC(=O)C(C)=O)cc1OC 808526036 KKJXQVYFLQYCII-UHFFFAOYSA-N 308.330 1.683 10 10 DDCE COc1ccc2c(c1)CCCN2C[C@@H]1CCN(S(C)(=O)=O)C1 801510418 RKXHVWZJJYAXJW-ZDUSSCGKSA-N 324.446 1.729 10 10 DDCE Nc1nc(NCCc2ccc(O)c(O)c2)cc(-n2cccn2)n1 811810885 HEFFVVLBEPMDMH-UHFFFAOYSA-N 312.333 1.310 10 10 DDCE CNC(=O)[C@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C1 817389560 UQULFWOIRQUHFK-ZDUSSCGKSA-N 304.394 1.030 10 10 DDCE Cc1nn(C)cc1C(=O)N1CCOc2ccc(N(C)C)cc2C1 575541673 VKVNBFDVAUFPPA-UHFFFAOYSA-N 314.389 1.829 10 10 DDCE Nc1ccc(CON2C(=O)COc3ccc(C(=O)O)cc32)cc1 821297345 NDJYFDAUMJSFKT-UHFFFAOYSA-N 314.297 1.824 10 10 DDCE CO[C@]1(CN[C@@H]2CCc3cccc(O)c32)CCS(=O)(=O)C1 903363593 PEUKLNGPEQHZNU-DOMZBBRYSA-N 311.403 1.173 10 10 DDCE COc1cccc(CNC(=O)N[C@H]2CC23CCNCC3)c1O 831179657 FNSSHQSOXKLMRO-ZDUSSCGKSA-N 305.378 1.342 10 10 DDCE CCC[C@H]1C(=O)NCCN1C(=O)/C=C\c1ccc(O)c(O)c1 588407528 GRRTVCAXXTWDAM-HWPRWLFBSA-N 304.346 1.238 10 10 DDCE COc1cc(Cl)cc(CN2CCO[C@@H]([C@@H](C)O)C2)c1O 840979519 SULWZRZCUFBBAV-NOZJJQNGSA-N 301.770 1.636 10 10 DDCE COc1ccc(O)c(CN2CCOC[C@@H]2c2ccnn2C)c1 846115003 HPBKQZGPHPNMRE-OAHLLOKOSA-N 303.362 1.708 10 10 DDCE O=C1C[C@H](C(=O)NCc2c(O)cccc2F)[C@@H]2CCCC[C@H]2N1 928712837 VZMOQKNBIHXJID-COPLHBTASA-N 320.364 1.842 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCNC3)C2)cc1 851639364 DPHJEUAIAHQKTO-KGLIPLIRSA-N 303.406 1.390 10 10 DDCE O=C(NCCCSc1nccs1)c1cn2c(n1)COCC2 859350647 DUWSOSRZUZPGLY-UHFFFAOYSA-N 324.431 1.782 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@](C)(O)C(C)C)C2)cc1 855228234 YBPNSNFCSOXHBX-DYVFJYSZSA-N 306.406 1.797 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)C2(NC3CC3)CCC2)cc1 852792654 YZRTUSFUBFVCSH-MRXNPFEDSA-N 316.449 1.543 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc(CO)c(Cl)c1 696848147 QQNBNPMHNSXPEE-OLZOCXBDSA-N 319.810 1.081 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@@H]2CO[C@H](C3CC3)C2)c1O 862530073 URVBXVQCOFKGQE-AAEUAGOBSA-N 308.334 1.966 10 10 DDCE C[C@H]1CO[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 888289586 FTXCBHJRRBCZMG-WBMJQRKESA-N 322.380 1.704 10 10 DDCE COc1cc(C)cc(CN[C@H]2C(=O)NCC23CCOCC3)c1O 895764788 JDYGRVNUZYAQCI-HNNXBMFYSA-N 320.389 1.094 10 10 DDCE COc1cc(O)c(CN2CCNC(=O)CC2(C)C)cc1OC 895400444 RAAJDSTYYILYFF-UHFFFAOYSA-N 308.378 1.510 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N2C[C@H]3[C@H](C2)C3(F)F)cc1 1349680559 AHMXVUUMXUODGL-STQMWFEESA-N 323.343 1.092 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1COCCN(c2ccc(N)cc2)C1 1959561310 WGIDQHYHTPMFFH-CYBMUJFWSA-N 307.394 1.999 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCN=c2cc[nH]cc2)cc1 1160611688 BGFOYPDEMOXPDZ-UHFFFAOYSA-N 312.333 1.508 10 10 DDCE C[C@H](NC(=O)N[C@H]1CCc2nnnn2CC1)c1ccccc1O 1230219299 SRAMYRZUEZGQCV-QWRGUYRKSA-N 316.365 1.144 10 10 DDCE CCOCc1cc(CN[C@H](C(=O)O)[C@H]2CCCO2)ccc1OC 1329686351 SWLHCWVBIUUIDD-CVEARBPZSA-N 323.389 1.954 10 10 DDCE O=C(O)c1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)o1 70330109 ULCRZXFETJTDOM-UHFFFAOYSA-N 301.251 1.623 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H](O)C23CCC3)cc1F 1333721277 GZRRIYJPLCXQJQ-LSDHHAIUSA-N 321.396 1.994 10 10 DDCE CCN1CC[C@@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1454002729 GRZVHPXGEVVQCH-QGZVFWFLSA-N 317.433 1.358 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cnc(Br)nc1 2118290927 KXZYMULACBWRNF-UHFFFAOYSA-N 324.134 1.832 10 10 DDCE CC(C)(C)OC(=O)NCCNC(=O)Cc1ccc(O)c(O)c1 1627046359 SJQPFEMKJLWLHK-UHFFFAOYSA-N 310.350 1.281 10 10 DDCE COc1ccccc1OCC(=O)NCc1cc(O)ccc1O 1558174377 LFGPMTRVWBMKOE-UHFFFAOYSA-N 303.314 1.802 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCSC[C@@H]2CCO)cc1 1635963920 FZPOJNNVEWPGIK-LBPRGKRZSA-N 322.390 1.789 10 10 DDCE COc1nn(C)cc1C(=O)NCc1ccc2cccnc2c1O 1639625122 YNWSTRUEXXYHQC-UHFFFAOYSA-N 312.329 1.613 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](c2ncon2)C1 1652271541 PYMFYQWTHKQFBT-NSHDSACASA-N 303.318 1.430 10 10 DDCE COC[C@@H]1CC[C@@H](Sc2nccs2)C[C@]1(N)C(=O)O 2127244186 UPJBDQVGGBCLIM-YGOYTEALSA-N 302.421 1.832 10 10 DDCE Nc1ccc(-n2nnc(C(=O)NCc3ccccc3F)n2)cc1 1857878740 KSGOBCOFAHLCQL-UHFFFAOYSA-N 312.308 1.314 10 10 DDCE CC(=O)C(=O)C1(O)CCN(C(=O)OCc2ccccc2)CC1 1919086449 NLVDJALLFVHFMI-UHFFFAOYSA-N 305.330 1.308 10 10 DDCE CCS(=O)(=O)N(C)CCNCc1cc(Cl)ccc1O 1926345330 YYUIHDDLSMCSCA-UHFFFAOYSA-N 306.815 1.417 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CCN(CCCN=[N+]=[N-])C[C@@H]1CO 1975181011 XWBOYMWORUYHQT-VXGBXAGGSA-N 313.402 1.894 10 10 DDCE COCCNCc1ccc(N2C[C@H](O)[C@@H](F)C2)cc1Cl 2149257744 LZBCDNNQLHJNQP-KBPBESRZSA-N 302.777 1.595 10 10 DDCE CNC(=O)OCCNCc1cccc(Br)c1O 1998211627 MCQWVRDGINXLMZ-UHFFFAOYSA-N 303.156 1.600 10 10 DDCE OC[C@H](O)C1(NCc2c(O)cccc2Br)CC1 2015911332 UOKCPGRMHGXIAU-NSHDSACASA-N 302.168 1.130 10 10 DDCE NCc1ccc(N2C3COCC2COC3)cc1Br 399775460 OGUXWQIDPWFQEP-UHFFFAOYSA-N 313.195 1.512 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3C[C@H]3C3CCOCC3)c2n1 2064367472 KFOGCWCHNLVTOF-WCQYABFASA-N 316.361 1.288 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCC[C@]34CCCO4)c2n1 2064592666 AVQLZUWTYWOYFP-WBMJQRKESA-N 316.361 1.575 10 10 DDCE COc1ccc(O)c([C@H](C)n2cc(C(=O)N(C)C)c(O)n2)c1 2070582587 ZWZXFEPYCDXSGX-VIFPVBQESA-N 305.334 1.614 10 10 DDCE CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(OC)cc1O 2170597088 MBKWISVMRIULEK-QWRGUYRKSA-N 301.408 1.875 10 10 DDCE O=c1nc(C2=S=Nc3ccccc32)[nH]c(O)c1Br 2041910031 OKANLHHOCBQRLT-UHFFFAOYSA-N 324.159 1.718 10 10 DDCE C[C@H](N)c1ccc(N2CC(NC(N)=O)C2)c(Br)c1 2044812961 QIXXULQQJXFPAK-ZETCQYMHSA-N 313.199 1.326 10 10 DDCE NCc1ccc(N2C[C@@H]3NC(=O)O[C@@H]3C2)c(Br)c1 2056817080 VUWPLALVHWEAKC-GXSJLCMTSA-N 312.167 1.205 10 10 DDCE CC1(C)[C@H](O)[C@H](O)CN1c1ccc(CN)cc1Br 2060874974 LXWQWEGZYSRQCC-VXGBXAGGSA-N 315.211 1.228 10 10 DDCE CN[C@H](C)c1ccc(N(C)C2CS(=O)(=O)C2)c(Cl)c1 2095904341 MZBLLIKBELALJS-SECBINFHSA-N 302.827 1.854 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](COc1nnc(=N)[nH]n1)C1CCCC1 2210654756 ZCBYWIICJYGBEH-JTQLQIEISA-N 324.385 1.141 10 10 DDCE Cn1nc(Br)c(C(=O)N2CCC[C@@H](N=[N+]=[N-])C2)n1 2219809755 WQDFGBJDVCREIE-ZCFIWIBFSA-N 314.147 1.493 10 10 DDCE CCNC(=O)CNCc1c(Br)ccc(OC)c1O 2220451777 TUCUIUJLWYPIIQ-UHFFFAOYSA-N 317.183 1.389 10 10 DDCE COc1ccc(Br)c(CN2CC[C@H](CN)C2)c1O 2220452537 WMTPYBJQUFZHDH-SECBINFHSA-N 315.211 1.944 10 10 DDCE CN(c1ccc2c(c1)NC(=O)[C@H]2N)C1CSCCSC1 2237055121 SKAXEGYMDVSNRM-ZDUSSCGKSA-N 309.460 1.923 10 10 DDCE CO[C@@H]1[C@@H](O)C[C@@H]1NCc1cccc(Br)c1O 2249810855 VLCUSXLMHHJVKK-NHCYSSNCSA-N 302.168 1.393 10 10 DDCE CSc1ncc(CNC(=O)c2cnc(C(=O)O)s2)s1 2269138995 RHMWAEFCHPJXMJ-UHFFFAOYSA-N 315.401 1.950 10 10 DDCE CSc1ncc(CNC(=O)N[C@H]2CC=C(C(=O)O)C2)s1 2284545044 VPLXELPRLPPAOF-QMMMGPOBSA-N 313.404 1.838 10 10 DDCE C[C@@H](CNC(=O)C=Cc1ccc(O)c(O)c1)N1CCCCC1=O 2312439346 QQXNLQBELCKSTP-LBPRGKRZSA-N 318.373 1.628 10 10 DDCE COc1ccc(N2CCN(C(=O)Nc3cn[nH]c3)CC2)cc1F 176487085 BDLVXIXQDCMHSN-UHFFFAOYSA-N 319.340 1.912 10 10 DDCE OC1CCN(c2ccc(CNC3=NCCCN3)cc2F)CC1 303266360 VWZBDBLHODSSEG-UHFFFAOYSA-N 306.385 1.226 10 10 DDCE COC(=O)c1cccc(S(=O)(=O)Nc2ccc(N)cc2)c1 36283898 YKTVJIXBPJYXKM-UHFFFAOYSA-N 306.343 1.856 10 10 DDCE Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2O 13508443 SBZWTSHAFILOTE-RRFJBIMHSA-N 306.270 1.037 10 10 DDCE biogenic,in-vitro Cc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])nc1 80357996 GSNAEWVAOKLHKI-UHFFFAOYSA-N 309.303 1.805 10 10 DDCE COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(N2CCCCC2)cc1 93103032 ARSWSCYPKVWIEO-SJORKVTESA-N 318.417 1.785 10 10 DDCE COCCN(CCO)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 267041902 MOGHJKBVDFPNLB-GQCTYLIASA-N 324.333 1.226 10 10 DDCE COc1ccc(N2CCN(CCNCc3cc[nH]c3)CC2)cc1 267905193 AERAYUYTPICFGZ-UHFFFAOYSA-N 314.433 1.935 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(C3CC3)C2=O)cc1 929406355 UZFLBRPRNMEEJW-INIZCTEOSA-N 315.417 1.770 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCN([C@@H]3CCNC3)CC2)cc1 843124536 GOTPMAZTHLCXFB-ZRHASKPBSA-N 314.477 1.745 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cnn(C)c3N)C2)cc1 855225508 JWUSPOWNBCFKBN-LLVKDONJSA-N 315.377 1.020 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](N)C(C)C)C2)cc1 851664625 HHIKUENWQCGKBO-CZUORRHYSA-N 320.437 1.556 10 10 DDCE CN1CCN(c2ccc(CNC[C@@H](O)[C@H]3CCCO3)cc2)CC1 858226972 RTBLXZAKAIUQKH-QZTJIDSGSA-N 319.449 1.068 10 10 DDCE COC(=O)/C=C\c1ccc(N2[C@H]3COC[C@H]2C3)c([N+](=O)[O-])c1 858577165 PZPHLVKYOPMLJC-USKJLILSSA-N 304.302 1.759 10 10 DDCE C[C@H](O)[C@H]1CN(Cc2c(O)cccc2Br)CCO1 862394901 SJNKZVUVJMSYMN-TVQRCGJNSA-N 316.195 1.736 10 10 DDCE C[C@@H]1C[C@H](CO)CCN1CC(=O)NCc1ccc(N(C)C)cc1 860085882 AUEUVUVKQWXSCF-GDBMZVCRSA-N 319.449 1.462 10 10 DDCE CS(=O)(=O)c1cc(C(=O)NCc2cccc(O)c2O)co1 1176576396 KJAAIXRNLDTCHP-UHFFFAOYSA-N 311.315 1.024 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCCN1CCO 1325295386 GYPDYPUPHRNJQS-HZRUHFOJSA-N 320.389 1.074 10 10 DDCE CNC[C@@H]1CN(Cc2c(O)cccc2Br)CCO1 706806466 HVOWYSMUZLRYPP-SNVBAGLBSA-N 315.211 1.575 10 10 DDCE CCN1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1=O 1447761685 KQNXHNQAENKHGZ-UHFFFAOYSA-N 317.349 1.543 10 10 DDCE CCN1CC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1603555347 PIZOLRJZKJCSNK-SJORKVTESA-N 318.465 1.566 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCc1cn2c(n1)SCC2 1616919535 LBVGMTVYRDIXAP-UHFFFAOYSA-N 319.386 1.301 10 10 DDCE CN(Cc1cnn(C)c1)C(=O)c1ccc(N=NC(N)=O)cc1 1540542849 QKUSRNHROAXCQU-UHFFFAOYSA-N 300.322 1.855 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCN(CCO)C2CC2)cc1 1713565926 GXABSZQDESOPHM-UHFFFAOYSA-N 319.365 1.036 10 10 DDCE CC[C@@H](C)C(=O)N(C)C[C@@H](O)CNCc1ccc(OC)c(C)c1 1486262219 VJLTZTHUJOUOJU-CJNGLKHVSA-N 322.449 1.959 10 10 DDCE COC(=O)[C@@H](CC(F)(F)F)NC(=O)Cc1ccc(O)c(O)c1 1633567879 YPHHZIPKVRHBOK-MRVPVSSYSA-N 321.251 1.251 10 10 DDCE O=C(NCc1ncn(-c2ccccc2)n1)NCc1ccccc1O 1564830665 GMKFGKWJEGUKPG-UHFFFAOYSA-N 323.356 1.972 10 10 DDCE C[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1ccccc1O 1635793709 DRVAIEMJFJNBMC-LLVKDONJSA-N 324.336 1.866 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@@H](O)CCc1ccccc1 1638352690 UNASMYXLQJQFOT-HNNXBMFYSA-N 301.342 1.708 10 10 DDCE CCN1CC[C@@H]1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1644526278 HFHMBKHKYYXUQH-QGZVFWFLSA-N 316.449 1.149 10 10 DDCE NC(=O)CCN(C(=O)c1ccnc2c1CC(=O)N2)c1ccccc1 1584437969 YQOPCRCPKGVBPB-UHFFFAOYSA-N 324.340 1.098 10 10 DDCE COc1cccc(CNC(=O)N[C@@H](C)c2ccn(C)n2)c1O 1681898034 XFUCMMSJOXZPCG-JTQLQIEISA-N 304.350 1.695 10 10 DDCE OCCN1CCN(c2ccc(CNC3CC3)cc2Cl)CC1 163961225 OVYQXLXXOSWDRZ-UHFFFAOYSA-N 309.841 1.706 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H]3C(C(N)=O)[C@H]3C2)c(Br)c1 2136610230 BVWLEIJKGNDZBJ-JEZHCXPESA-N 324.222 1.636 10 10 DDCE C[C@@H](O)c1ccc(N(C)CCN(C)S(C)(=O)=O)c(F)c1 2146929888 UNAUEJOEVQWNOC-SNVBAGLBSA-N 304.387 1.207 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](N)[C@H]1c1ccc(O)c(O)c1O 1952365632 SKZFVBWSJSTESK-GXSJLCMTSA-N 310.350 1.813 10 10 DDCE O=S1(=O)CCN[C@H](c2cc(Br)ccc2O)C1 1952602396 TZBRCNHDXBGUHT-VIFPVBQESA-N 306.181 1.214 10 10 DDCE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N1CC(N=[N+]=[N-])C1 1985094404 OIEGBOYJVANPJG-UHFFFAOYSA-N 321.341 1.902 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NC(=O)c1cccc(O)c1O 1986693121 CGSRUKIVTXNJSA-MNOVXSKESA-N 322.361 1.883 10 10 DDCE CC(C)(NCc1cccc(Br)c1O)c1nn[nH]n1 2033674711 XWTNYIMYCQFAGA-UHFFFAOYSA-N 312.171 1.693 10 10 DDCE Nc1ccc(CCNS(=O)(=O)c2cccnc2Cl)cc1 2162380682 BDJAETGRNWGFSX-UHFFFAOYSA-N 311.794 1.838 10 10 DDCE CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)Cc1ccc(N)cc1 710112650 CHUYCECBGJZTPF-GOSISDBHSA-N 304.437 1.995 10 10 DDCE CN(CC1[C@H]2CS(=O)(=O)C[C@H]12)c1ccc(CN)c(Cl)c1 2174646972 IUHLDUPDHNJIGO-CHWSQXEVSA-N 314.838 1.526 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)c3cnn(C)c3C)c2n1 2062238737 YAASUKMKKFHNLT-VIFPVBQESA-N 314.349 1.276 10 10 DDCE CC[C@H](C)N1CCN(C(=O)c2cnn3c(O)cc(C)nc23)CC1 2064334029 VAWQFOKIOBRHKV-LBPRGKRZSA-N 317.393 1.300 10 10 DDCE COCCN(Cc1c(O)cccc1Br)C1CNC1 2042135191 XWGWALPYMWRFJI-UHFFFAOYSA-N 315.211 1.575 10 10 DDCE C[C@@H](N)c1ccc(N2CC(CS(C)(=O)=O)C2)c(Cl)c1 2103212200 ZNADWAUSSZRQCA-SECBINFHSA-N 302.827 1.841 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](C(=O)O)[C@@H](C)F)s1 2269102023 WKQNHAKBLAWOLI-VDTYLAMSSA-N 307.372 1.475 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CCOCC[C@@H]2N)s1 2269256405 NQSBBIQSXBPSOA-UWVGGRQHSA-N 301.437 1.235 10 10 DDCE C[C@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc2C(=O)N1 492490814 ITOJHGKDXCMFOX-SYTKJHMZSA-N 308.341 1.655 10 10 DDCE O=C(O)[C@@H](CO)N1C(=O)C(=Cc2ccsc2)SC1=S 2323831640 NGCNQQLPUARCBH-SSDOTTSWSA-N 315.397 1.395 10 10 DDCE COc1ccc(N(C)CC(=O)NCCNC(C)=O)cc1Cl 177072527 VUKYXAVWOKPDKO-UHFFFAOYSA-N 313.785 1.037 10 10 DDCE O=C([C@@H]1CNc2ccccc2N1)N(CCO)Cc1ccccc1 303987054 JWKUFPXUWQFHKN-KRWDZBQOSA-N 311.385 1.914 10 10 DDCE CCc1n[nH]c([C@H]2CN(Cc3cccc(C)c3O)CCO2)n1 183415720 PPZFSZILMJQMFP-CYBMUJFWSA-N 302.378 1.955 10 10 DDCE CN1CCc2cc(/C=C3/SC(=O)N(CCN)C3=O)ccc21 219998754 QMXSKNLEKSLTAQ-UKTHLTGXSA-N 303.387 1.674 10 10 DDCE O=C1COC[C@@H](c2ccc(I)cc2O)N1 238702547 JTWGFEDTRFAEHD-QMMMGPOBSA-N 319.098 1.184 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCN(C(C)=O)C[C@@H]2C)c1O 278205118 JOTIYDZGTGHOOV-JTQLQIEISA-N 323.349 1.362 10 10 DDCE CN(CC1CC1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 288562955 NFINFKUVSPDBET-UHFFFAOYSA-N 313.401 1.547 10 10 DDCE CCOC(=O)c1cnc(Sc2nnc(CO)n2C)s1 809355669 NZEABZGHNASSMT-UHFFFAOYSA-N 300.365 1.092 10 10 DDCE COC(=O)CCS(=O)(=O)Nc1cc(C)c(O)c(C)c1C 290496155 JZALNALCCYJUAQ-UHFFFAOYSA-N 301.364 1.622 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CCCNC3)C2)cc1 818613588 ULJQDTSILDPUEZ-HUUCEWRRSA-N 317.433 1.637 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Nc3cnns3)C2)cc1 822817429 PLDDDBOQZKFPLA-SNVBAGLBSA-N 319.390 1.947 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H]([C@H](C)O)C1 840302570 QLROSSPRIQURPX-XJKSGUPXSA-N 321.421 1.352 10 10 DDCE Cc1cc(O)c(CN2CCN3C(=O)NC(=O)[C@H]3C2)c(Cl)c1 840938233 ZUJLFNMYFDYFEK-LLVKDONJSA-N 309.753 1.090 10 10 DDCE O=C(NCc1cc(Br)ccc1O)[C@@H](O)C1CC1 854442121 HJZYFJRFCIFUNQ-NSHDSACASA-N 300.152 1.542 10 10 DDCE COc1cccc(CNC(=O)NC[C@H](OC)[C@H]2CCOC2)c1O 854276349 NBFSXKJGBRIORX-JSGCOSHPSA-N 324.377 1.252 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cnns3)C2)cc1 853817764 MIYVCVFRXXUDCA-JTQLQIEISA-N 304.375 1.555 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCCN3)C2)cc1 852900770 RLTMTEBGHJKBQF-XJKSGUPXSA-N 303.406 1.532 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2[C@H]3COC[C@H]32)cc1 855020536 RLTASDPYJPYWOH-ZSHCYNCHSA-N 304.390 1.482 10 10 DDCE COCc1cncc(C(=O)NCc2cccc(OC)c2O)c1 765590604 VXQLIRRWTABPNM-UHFFFAOYSA-N 302.330 1.872 10 10 DDCE CNC(=O)[C@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1 775658576 NHEIJOFTGJCMOK-QGZVFWFLSA-N 316.449 1.149 10 10 DDCE COC[C@@]1(C(=O)OC)CCCN1Cc1cc(C)cc(OC)c1O 895313583 DBDOKCKVWSNLJH-QGZVFWFLSA-N 323.389 1.863 10 10 DDCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1noc(C(F)F)n1 1141933659 NPVXUSRXSJHDIX-LURJTMIESA-N 313.260 1.838 10 10 DDCE CCN(CCN=[N+]=[N-])C[C@@H](O)CN1C(=O)c2ccccc2C1=O 1887717670 MZDOJASASFHYCP-LLVKDONJSA-N 317.349 1.276 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]2C2CC2)cc1F 1322535700 HLVWOPDZTVXXOQ-GXTWGEPZSA-N 319.380 1.423 10 10 DDCE CN(C[C@@H]1CCCS1(=O)=O)c1c(F)cc(CN)cc1F 694093242 CULPFCITBRUUQQ-JTQLQIEISA-N 304.362 1.437 10 10 DDCE COc1cc(C(=O)N[C@@H](C)CNC(=O)C2CCC2)cc(OC)n1 1295399860 AJLQKIIVQMKBFL-JTQLQIEISA-N 321.377 1.133 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=O)c3n[nH]cc3F)C2)cc1 1299769425 BCPGCFASRXWQEB-NSHDSACASA-N 318.352 1.814 10 10 DDCE COCC(=O)NC[C@@H](NCc1ccc(OC)c(C)c1)C1CC1 1479996868 WWYSNJMDSSZYRX-OAHLLOKOSA-N 306.406 1.634 10 10 DDCE Cc1noc([C@@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)n1 1542190512 LKTVXQPYCBYXCQ-GFCCVEGCSA-N 317.345 1.738 10 10 DDCE NC(=O)NCc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 1557084817 PJHMSJGSECAAHF-UHFFFAOYSA-N 315.329 1.196 10 10 DDCE COC[C@@H](C)N[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1714309556 QBHZDRLOAYQATB-GHMZBOCLSA-N 321.381 1.592 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2cnn(C)c2)cc1C 1713571621 WXQKJOKRZQKHHB-UHFFFAOYSA-N 316.405 1.599 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2cnsn2)cc1C 1715966558 LLASSIMVZHFRRH-NSHDSACASA-N 320.418 1.763 10 10 DDCE CN(C)Cc1csc(CNC(=O)Cc2ccc(O)c(O)c2)n1 1558402508 BYKZUQZBULYILO-UHFFFAOYSA-N 321.402 1.475 10 10 DDCE Cn1ncc2ccc(CNC(=O)Cc3ccc(O)c(O)c3)cc21 1637455082 ZVQJYWXRQXMTFR-UHFFFAOYSA-N 311.341 1.843 10 10 DDCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)[C@H](C)OC 1732763644 NQZVWTBNIUPVRU-AWEZNQCLSA-N 308.422 1.977 10 10 DDCE CC[C@H](CNC(=O)C1CC1)NC(=O)c1cc(OC)nc(OC)c1 1738100668 YXIWKSPHFZKNRO-GFCCVEGCSA-N 321.377 1.133 10 10 DDCE Cn1cnc2ccc(C(=O)NCc3c(O)cccc3F)nc21 1652298994 XSLANCZWWMPESS-UHFFFAOYSA-N 300.293 1.743 10 10 DDCE Cn1cc(C(=O)NCc2cc(O)ccc2O)c(-c2cccnc2)n1 1593872939 HGCVZORNYUEKJC-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE CC[C@@H](Oc1cccc(/C=C2\SC(N)=NC2=O)c1)C(=O)O 16905105 VWCXTSBQAQOIQT-PAKSIRSJSA-N 306.343 1.858 10 10 DDCE CN(C)c1cccc(NC(=O)c2ccccc2-n2cnnn2)c1 1874061497 IEMOQTSBPWUWOK-UHFFFAOYSA-N 308.345 1.981 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NC(=O)c1ccc(O)c(O)c1 1984416119 VFPDFYIBBBFQMP-QWRGUYRKSA-N 322.361 1.741 10 10 DDCE COc1cc(Br)c([C@H](O)C(=O)C(C)=O)cc1OC 2030400408 NKLFMZQGRALHKT-LBPRGKRZSA-N 317.135 1.658 10 10 DDCE CN1CCN(Cc2c(O)cccc2Br)[C@@H](CN)C1 706806499 KKUJFVUCYASTDI-JTQLQIEISA-N 314.227 1.229 10 10 DDCE COCC1(O)CN(c2cc(Br)c(CN)cc2F)C1 383980052 LISFGYPYJLGLCK-UHFFFAOYSA-N 319.174 1.244 10 10 DDCE CS(=O)(=O)c1cnn(Cc2cccc(F)c2O)c1Cl 2070244778 MUBMWVYSTQOMBR-UHFFFAOYSA-N 304.730 1.833 10 10 DDCE C[C@H]1CN(c2cc(Cl)c(CN)cc2F)C[C@@H](CCO)O1 2179384914 YZHVFUJRVLVJLD-GXSJLCMTSA-N 302.777 1.914 10 10 DDCE C[C@H]1CC[C@H](COc2nnc(=N)[nH]n2)CN1C(=O)OC(C)(C)C 2210648297 WAUWYKFCQQCMOS-UWVGGRQHSA-N 324.385 1.094 10 10 DDCE CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)NCCN=[N+]=[N-] 2211007350 QWSFNAIWYUENBZ-UHFFFAOYSA-N 323.357 1.517 10 10 DDCE COc1cc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)ccc1CN 2204557882 VJBMJXNBTLGICT-QWRGUYRKSA-N 300.424 1.412 10 10 DDCE CC[C@H](O)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1 2206681295 GYLZWTFTDATVAU-LBPRGKRZSA-N 305.346 1.956 10 10 DDCE Cc1ccc(CN(C)C(=O)[C@@H]2C[C@@H]2N)c(O)c1Br 2327600553 VKSSSPCIMAXDIX-ZJUUUORDSA-N 313.195 1.769 10 10 DDCE Cn1nc(Br)nc1[C@H](O)[C@@H](N)c1ccccc1O 2328446143 XMIWNOHIDPROFC-DTWKUNHWSA-N 313.155 1.017 10 10 DDCE CCCOc1ccc(CN2CCO[C@@H](C(=O)NC)C2)c(O)c1 182458558 WMWRJZSTAHKKQU-OAHLLOKOSA-N 308.378 1.128 10 10 DDCE COCCN(Cc1cc(Cl)cc(C)c1O)[C@@H](C)C(N)=O 180072918 CQLOBXMKUKWWAX-JTQLQIEISA-N 300.786 1.676 10 10 DDCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)c1ccc(Br)o1 228800163 ATLAGAYUPYXFOJ-VIFPVBQESA-N 302.132 1.643 10 10 DDCE COc1ccc(CNC2CC2)cc1CSc1nnnn1C 81845435 IVTWMGSXNAOJRS-UHFFFAOYSA-N 305.407 1.763 10 10 DDCE CNC(=O)[C@H](C)CN(C)c1ccc(CN)cc1Br 234393230 GZGKNMAWHIAQPT-SECBINFHSA-N 314.227 1.726 10 10 DDCE N[C@]1(C(=O)O)CCc2c(I)ccc(O)c21 238608166 NLGQUQJVFIJWTG-SNVBAGLBSA-N 319.098 1.182 10 10 DDCE O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1ccc(O)nn1 530077919 FCIVAZYNSIGZRJ-LLVKDONJSA-N 301.302 1.571 10 10 DDCE O=S(=O)(C[C@@H]1CCCNC1)Nc1ccc(O)cc1Cl 722247788 ADUNLWXWAQYXEH-SECBINFHSA-N 304.799 1.787 10 10 DDCE COCCN(C/C=C\c1ccc(N(C)C)cc1)CC(=O)OC 835030681 YKAKTGBUDMNVJX-WAYWQWQTSA-N 306.406 1.887 10 10 DDCE COc1ccc(N2CC[C@H](NS(=O)(=O)CCC3CC3)C2)cc1 849416896 YSDMAOFXJVQRGJ-AWEZNQCLSA-N 324.446 1.993 10 10 DDCE O=S1(=O)C[C@H](CNCc2ccccc2O)Oc2ccccc21 842721507 IXBGZGFHXJOPSV-ZDUSSCGKSA-N 319.382 1.717 10 10 DDCE O=C(/C=C/COC1CCOCC1)NCc1c(O)cccc1F 928709576 JQFCHHRTYCQRPT-GORDUTHDSA-N 309.337 1.899 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCCC12OCCO2 923812191 UACVEDUIHLHSPP-CYBMUJFWSA-N 310.325 1.626 10 10 DDCE CCO[C@@H](CS(=O)(=O)NCCc1ccc(N)cc1)C1CC1 858609793 AOJCQJBWFYZMTO-HNNXBMFYSA-N 312.435 1.546 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CO[C@H](C)C3)C2)cc1 852396709 NSMJQTTUUHMLTG-HZSPNIEDSA-N 319.405 1.751 10 10 DDCE C[C@]1(C(=O)NCc2ccc3cccnc3c2O)CCC(=O)NC1 862026486 QBWRTUWGHNHFIB-KRWDZBQOSA-N 313.357 1.473 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1ccccc1C(=O)OC(C)(C)C 869734909 MNUXSPSYYGDLTM-UHFFFAOYSA-N 320.341 1.886 10 10 DDCE C[C@@]1(CNC(=O)C(=O)NCCc2ccc(N)cc2)CC1(F)F 1118552673 XHUWBOGQFUDXKH-AWEZNQCLSA-N 311.332 1.089 10 10 DDCE CN(C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)c1ccc(N)cc1 877079986 DARHOGTWMPLSCT-IUODEOHRSA-N 305.403 1.686 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1C[C@@H]1C 1117084313 LTPQJPRQEHPWRO-ZFWWWQNUSA-N 317.433 1.873 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](O)c1ccccc1C(F)(F)F 885121615 OFMGPJZRJNEOCR-LLVKDONJSA-N 304.220 1.440 10 10 DDCE Cc1cc(O)c(CN2CC(O)(c3ncnn3C)C2)c(Cl)c1 895617017 UBZHQCMJUGIYPR-UHFFFAOYSA-N 308.769 1.186 10 10 DDCE CN1CC[C@H](N(C)C(=O)c2cc3cc(O)c(O)cc3s2)C1=O 896498286 YLKPEKAXCOIPCT-VIFPVBQESA-N 320.370 1.615 10 10 DDCE O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)NCc1ccccc1O 896015002 GMWFFQBVKIOMPB-DZGCQCFKSA-N 321.373 1.709 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N(CCO)Cc1cccnc1 1137642805 KVWHJCTYNAHXBB-UHFFFAOYSA-N 302.330 1.056 10 10 DDCE COC[C@@H](O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 897268698 OZIHOUJONYWISC-VIFPVBQESA-N 311.359 1.440 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2nc[nH]n2)cc1C 1274962805 FWPOBGHEXCVXAQ-LLVKDONJSA-N 303.366 1.030 10 10 DDCE O=C(NCc1cccc(Br)c1O)c1cccnn1 1297441758 XBUTYWRHVJXUGX-UHFFFAOYSA-N 308.135 1.875 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCCOC[C@H]1CCCO1 1632724536 AUXUKMSHKWOSIR-CYBMUJFWSA-N 309.362 1.342 10 10 DDCE COCCCn1cc(C)c(NC(=O)Cc2ccc(O)c(O)c2)n1 1636994558 FGSCJJCZPKNNAO-UHFFFAOYSA-N 319.361 1.820 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1ccc(Cn2ccnn2)o1 1631155307 SQTSMRKSLHZRGT-UHFFFAOYSA-N 312.329 1.897 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](O)c1ccccn1 1567467197 DKEBCFVPHWHYRB-ZUZCIYMTSA-N 302.330 1.274 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccnc(-n2cccn2)c1 1570462566 ZGOHTNJPPCREDN-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CCOC(=O)Cn1ccc(NC(=O)c2cccc(O)c2O)n1 1640377398 RYRJCXQTTHYXAN-UHFFFAOYSA-N 305.290 1.110 10 10 DDCE COc1ccc(C2=NN(CCO)C(=O)/C2=C\c2ccncc2)cc1 18193410 UVRREWREGCGNDW-VBKFSLOCSA-N 323.352 1.712 10 10 DDCE CON1CCN(c2ccc(CN)cc2Br)CC1 1915782477 NEYHBDYCSZYZFT-UHFFFAOYSA-N 300.200 1.591 10 10 DDCE CN(CCF)c1cc2c(cc1Br)[C@@H](O)C(=O)N2 1917024610 GOOMVFSSVNWWGU-SNVBAGLBSA-N 303.131 1.840 10 10 DDCE O=S1(=O)CC[C@@H]1CNCc1ccc(Br)cc1O 1945524401 OBQNSZHYKMHPDQ-SNVBAGLBSA-N 320.208 1.431 10 10 DDCE C[C@@H](O)c1ccc(N2CC(O)(CO)C2)c(Br)c1 2004523654 RKKKBLXQIANGKJ-MRVPVSSYSA-N 302.168 1.046 10 10 DDCE CC(C)(C)OC(=O)NC1CC(O)(C(=O)Nc2ccc(N)cc2)C1 1993308683 GTVYCNBAJNBIKK-UHFFFAOYSA-N 321.377 1.626 10 10 DDCE OCc1ccc(N2C[C@H](CO)C[C@H]2CO)c(Br)c1 2029385705 RPFCJNKBCCTUDS-MNOVXSKESA-N 316.195 1.121 10 10 DDCE CN1C(=O)C[C@@H](NCc2cc(Cl)cc(Cl)c2O)C1=O 88775821 YIBPJBASOFXYHA-SECBINFHSA-N 303.145 1.546 10 10 DDCE Nc1ccc(CS(=O)(=O)NC2CC3(C2)CC3(F)F)cc1 2187723868 KSGZUVJZYJWKHI-UHFFFAOYSA-N 302.346 1.876 10 10 DDCE COc1ccc(Br)c(CN[C@@H]2COC[C@H]2O)c1O 2220463232 YEZVCSRNNLCYTD-NXEZZACHSA-N 318.167 1.013 10 10 DDCE COc1cc(OC)c(N2C[C@H](O)[C@@H](N(C)C)C2)cc1Cl 2285865958 BWKJKTRWFUXTDM-RYUDHWBXSA-N 300.786 1.468 10 10 DDCE CCN1C(=O)C(=Cc2ccc(N(C)C)cc2)C(=O)NC1=S 2297366250 ADNXDRKETBYMAQ-UHFFFAOYSA-N 303.387 1.399 10 10 DDCE CCN1C(=O)C(=CNc2cccc(Cl)c2)C(=O)NC1=S 2297366626 BKXMMISOAWWUSK-UHFFFAOYSA-N 309.778 1.899 10 10 DDCE Cn1cc(C=C2SC(=S)NC2=O)c(-c2cccnc2)n1 2297388761 XSZUYUXOCRUZEM-UHFFFAOYSA-N 302.384 1.971 10 10 DDCE Cc1ccc(CN=c2cc(N)nc[nH]2)c(O)c1Br 2327794008 YIXJDOKTENTMAQ-UHFFFAOYSA-N 309.167 1.869 10 10 DDCE C[C@H]1CN(c2ccc(CNS(C)(=O)=O)cc2F)C[C@H](C)O1 56110064 AFSVKXSTVSYEIR-QWRGUYRKSA-N 316.398 1.489 10 10 DDCE CC(C)N(CCNS(=O)(=O)Cc1ccc(N)cc1)C(C)C 21505265 XAFNPHAOWQOJIE-UHFFFAOYSA-N 313.467 1.807 10 10 DDCE CSc1ncc(CNC(=O)NC[C@H]2C[C@H]2CC(=O)O)s1 2360956885 QJOZAUNOAVMCNZ-JGVFFNPUSA-N 315.420 1.775 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@H](C(=O)O)O1 318566644 OVCZICJDCOALCG-UONOGXRCSA-N 306.362 1.343 10 10 DDCE CN1[C@H]2CC[C@H]1C(=O)N(c1c(Cl)cc(N)cc1Cl)C2=O 2365779953 BMFXWFGJFGPPTE-UWVGGRQHSA-N 314.172 1.912 10 10 DDCE COCCN1[C@H](C)CN(C(=O)c2cccc(O)c2O)C[C@H]1C 193146650 FQELESRRSKPGIZ-VXGBXAGGSA-N 308.378 1.279 10 10 DDCE CC[C@@H](CO)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 93740321 AMJCFDLTIDKIKD-ZDUSSCGKSA-N 308.378 1.009 10 10 DDCE O=C1N[C@@H](c2ccc(N3CCCCC3)cc2)N2CCOC[C@H]12 93885502 QFNOPXDFEBYSQV-HZPDHXFCSA-N 301.390 1.506 10 10 DDCE CCN(CC(=O)NC)c1ccc(CNC)cc1Br 233436584 OTUITDPZBXCREH-UHFFFAOYSA-N 314.227 1.741 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@H]2CCc3nnnn3CC2)cc1 817420735 YOZOLDURINFOIX-BWPKMQGJSA-N 312.421 1.747 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)CCc1cn(C)nn1 827955839 KVGQYTFMRDAAFA-UHFFFAOYSA-N 301.394 1.439 10 10 DDCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCF)cc2)C1 900295622 AHYWAYPTVKJSQE-ZDUSSCGKSA-N 307.369 1.364 10 10 DDCE CCc1noc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 902697037 QWTVNVNTXYXHQR-LLVKDONJSA-N 316.361 1.649 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]12C[C@H]1COC2(C)C 831931800 URNDNEGVTUBDJF-MOCULFSLSA-N 305.374 1.960 10 10 DDCE COc1ccc(N(C)CCN(C)CC2(O)CCOCC2)cc1 844402488 ZPEPJCOKJCJFTE-UHFFFAOYSA-N 308.422 1.605 10 10 DDCE O=C(O)c1cnn2c(O)cc(CN3CCC[C@H]4CCC[C@H]43)nc12 846240662 CHFHYXYRVXUCNX-ZWNOBZJWSA-N 316.361 1.898 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCOC[C@H]2CCO)cc1 758313266 BJMOACLGAPQOKH-OAHLLOKOSA-N 307.394 1.045 10 10 DDCE COc1ccc(N2CC[C@H](N[C@H](C)c3cnnn3C)C2)cc1 926680463 ORRXQTHXFYOQMH-OLZOCXBDSA-N 301.394 1.753 10 10 DDCE COc1ccc(O)c(CNC(=O)NCc2noc(C3CC3)n2)c1 764408141 RBBOKGZWEVORCO-UHFFFAOYSA-N 318.333 1.661 10 10 DDCE COc1ccc(CNC(=O)N[C@@H]2CCCn3nccc32)c(O)c1 869218374 LYFAHRPZZWLBLM-CYBMUJFWSA-N 316.361 1.932 10 10 DDCE CN(C)c1ccc(CN2CCN3C(=O)OCC[C@H]3C2)cc1F 770388483 BJDYZVBLLUNRQB-ZDUSSCGKSA-N 307.369 1.918 10 10 DDCE COC(=O)[C@@](C)(O)CN(Cc1ccccc1O)C[C@H]1CCCO1 788018909 GSOKGQOKQLWYSD-PBHICJAKSA-N 323.389 1.297 10 10 DDCE C[C@@H](NC(=O)C1CC(=O)C1)c1ccc(N2CCOCC2)cc1 1136442933 JSNAPDHUGGQYLH-GFCCVEGCSA-N 302.374 1.680 10 10 DDCE CC(=O)NCCCNCc1ccc(N2CCCNCC2)cc1 84846324 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C=C/C=C\CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O 1644684732 QSBIPLPCIXXGLP-PLNGDYQASA-N 310.375 1.626 10 10 DDCE O=C(Cn1nnc2ccccc2c1=O)N1Cc2cccc(O)c2C1 1587928590 PYTYSQIYZKCVMY-UHFFFAOYSA-N 322.324 1.040 10 10 DDCE CN(Cc1cc(Br)ccc1O)C[C@@H]1COCCN1 1964651581 DADZGYSHWMEXGA-GFCCVEGCSA-N 315.211 1.575 10 10 DDCE CN(C)c1ccc([C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 1917209312 PHEQFMILMLUMLW-STQMWFEESA-N 324.377 1.764 10 10 DDCE C[C@H](NCc1ccc(N)cc1)C1(O)CN(C(=O)OC(C)(C)C)C1 1918668090 FEHYQXMXNPFZTM-LBPRGKRZSA-N 321.421 1.729 10 10 DDCE CC1(C)[C@@H](CNCc2c(O)cccc2F)CCS1(=O)=O 1967858155 OCZNSSDPPLQSDF-SNVBAGLBSA-N 301.383 1.834 10 10 DDCE CCN(c1ccc(N)cc1)S(=O)(=O)c1c(Cl)cnn1C 230810465 UNCKKLCEWASNQT-UHFFFAOYSA-N 314.798 1.871 10 10 DDCE O=C1N[C@H](c2cc(I)ccc2O)CO1 1951596170 FDBLWXYJYUTKAO-ZETCQYMHSA-N 305.071 1.778 10 10 DDCE Cc1[nH]nc(S(=O)(=O)Nc2ccc(O)cc2Cl)c1CO 2157765020 BFKRUPFCRDAJNV-UHFFFAOYSA-N 317.754 1.370 10 10 DDCE NCc1ccc(N2C[C@@H](CO)[C@@H](F)C2)cc1Br 2008020752 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804740149 AGKRQOAGCPVTET-UHFFFAOYSA-N 302.168 1.932 10 10 DDCE CC(=O)C(=O)COC(=O)CNC(=O)c1cc2c(s1)CCCC2 808512662 OCFDOZAIAFBBGK-UHFFFAOYSA-N 323.370 1.058 10 10 DDCE Oc1cc2c(cc1CN1C[C@H](O)C[C@H]1[C@H]1CCCOC1)OCO2 824653484 BSCXMPSHNNEIHR-YUTCNCBUSA-N 321.373 1.483 10 10 DDCE CO[C@@]1(CN[C@@H](C)c2cc(F)ccc2O)CCS(=O)(=O)C1 903365083 HRZROMWPARVTKC-IINYFYTJSA-N 317.382 1.386 10 10 DDCE CSCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 837706849 XARRGIOOFUCTNW-UHFFFAOYSA-N 316.373 1.781 10 10 DDCE O=[N+]([O-])c1cc(Cl)cc(CN2CCNC[C@H]2C(F)F)c1O 843124782 NBNDZIZRTQTUHK-JTQLQIEISA-N 321.711 1.993 10 10 DDCE COC(=O)C[C@@H](CNC(=O)c1c(F)ccc(O)c1O)C1CC1 857326991 JQJIYPYIOWHSKG-VIFPVBQESA-N 311.309 1.556 10 10 DDCE C[C@@H](NCCN1C(=O)CN(C)C1=O)c1ccc(N(C)C)cc1 851951196 WCZZTUBXAIOOCC-GFCCVEGCSA-N 304.394 1.297 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCC[C@H](C)[S@](C)=O)c1 756757450 CEDKGFDJKAWFOM-HJTOQOCKSA-N 313.419 1.987 10 10 DDCE CCN[C@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851667190 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1.913 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1ccc(OC(F)F)cn1 1448721925 OARSZNWMEOXIRU-UHFFFAOYSA-N 324.283 1.953 10 10 DDCE O=C(Cc1csc2nccn12)NCc1cc(O)ccc1O 1455357971 YXYGIIOKIGYOIH-UHFFFAOYSA-N 303.343 1.666 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H]3CN(C)C[C@H]32)c1 1521372723 JCYWBQUALDWYRQ-NWANDNLSSA-N 303.406 1.840 10 10 DDCE O=C(CCNC(=O)c1ccsc1)NCc1c(O)cccc1O 1472061136 JHQRAWJJWLJSGP-UHFFFAOYSA-N 320.370 1.596 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC/C=C\CNCCF)cc1 1716383228 WIOHESQBWPIEBG-IQINBNNGSA-N 307.329 1.694 10 10 DDCE COC(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccs1 1627266739 HXEHHNPNLMLALH-CQSZACIVSA-N 321.354 1.732 10 10 DDCE CCN(CC)c1ccc(CN(C)C(=O)Cn2nccc2N)cc1 1623458621 XSPKPDKCYJIJKV-UHFFFAOYSA-N 315.421 1.970 10 10 DDCE COc1ccc(CNC[C@H](O)CN(C)C(=O)CC2CC2)cc1C 1717909590 SIUIMJMZPZFYGG-INIZCTEOSA-N 320.433 1.713 10 10 DDCE COc1cncc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c1 1647820292 URCXTZXZNRUFRT-HYXAFXHYSA-N 300.314 1.831 10 10 DDCE CCOC[C@H](O)CN(CC(=O)OCC)Cc1ccccc1O 1653970000 PLGVHGMKPBJKPE-CQSZACIVSA-N 311.378 1.155 10 10 DDCE CN(C)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 169813099 PCMMLYBNBRJHJR-AWEZNQCLSA-N 301.394 1.847 10 10 DDCE CN(C)CCCNC(=O)CCNCc1ccc(N(C)C)cc1 1857858918 NAAXXGZOMDIFQI-UHFFFAOYSA-N 306.454 1.300 10 10 DDCE CNC(=O)[C@H](C)N(C)c1ccc(CO)c(Br)c1 1916211031 AQJXQXDOWJAOIE-QMMMGPOBSA-N 301.184 1.512 10 10 DDCE CNC(=O)[C@H](C)N(C)c1ccc(CN)cc1Br 1916795318 OYIOUFQGAXRTCU-QMMMGPOBSA-N 300.200 1.479 10 10 DDCE CN(Cc1cc(Br)ccc1O)[C@H]1CCC(=O)NC1 1970970345 OOQPYXPMSJJPEP-NSHDSACASA-N 313.195 1.865 10 10 DDCE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980375538 ABBXUIDVSTZYBR-MJVIPROJSA-N 324.421 1.898 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCC2CC(F)C2)cc1 2148924221 JUISOIFGAQBDHN-UHFFFAOYSA-N 302.371 1.315 10 10 DDCE C[C@@H](c1cc(Cl)ccc1O)N(C)CCS(=O)(=O)N(C)C 2151048657 ZKXJJZVNJZYFOG-JTQLQIEISA-N 320.842 1.930 10 10 DDCE O=C(O)C1[C@@H]2CN(Cc3c(O)cccc3Br)C[C@@H]12 2027114335 DPOFKZCPONFKRE-HTQZYQBOSA-N 312.163 1.917 10 10 DDCE NC[C@]1(O)CCCN(Cc2ccc(Br)cc2O)C1 2039802188 UPQRQOHHETWLDW-CYBMUJFWSA-N 315.211 1.440 10 10 DDCE C[S@](=O)CCNCc1cc(O)cc(Br)c1O 309897626 GLXKXBIHFMLGOY-INIZCTEOSA-N 308.197 1.328 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@](O)(CO)C2)c(Br)c1 314091080 CISHNFIDLMQEHV-NOZJJQNGSA-N 315.211 1.402 10 10 DDCE CNCc1ccc(N(C)CCC(N)=O)c(Br)c1 382086453 VCAIUQSDBGJJND-UHFFFAOYSA-N 300.200 1.480 10 10 DDCE C[C@H](NS(=O)(=O)CCOc1ccc(N)cc1)C(C)(F)F 389359990 RVZALYVECRSXNO-VIFPVBQESA-N 308.350 1.611 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCCc3cnc(C)s3)c2n1 2063911970 FHKGOGXOSGIUKE-UHFFFAOYSA-N 317.374 1.481 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H]2C[C@@]23CC3(F)F)cc1 2172025466 LHIFYMGYOUZIKH-ZYHUDNBSSA-N 302.346 1.734 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CC(O)(C(F)F)C3)c(Cl)cc21 2172118881 UPZNDUCECPWUGF-VIFPVBQESA-N 303.696 1.108 10 10 DDCE Nc1ccc(OCC(=O)N[C@@H]2CCCC3(CC2)OCCO3)cc1 2191655546 DQRROTOHSUADLW-CQSZACIVSA-N 320.389 1.840 10 10 DDCE CN=c1[nH]cc(Br)c(=NCc2ccc(N)cc2)[nH]1 2053609419 VUNZVSOGXAFNAE-UHFFFAOYSA-N 308.183 1.319 10 10 DDCE Cn1c(C2=C[C@@H](O)[C@@H](N)C2)nc2cncc(Br)c21 2067754314 HRCKIOUMZFWLSY-WCBMZHEXSA-N 309.167 1.206 10 10 DDCE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)N3CC(N=[N+]=[N-])C3)(C1)C2 2243112679 SELDVTZPPRWGIJ-HDJSIYSDSA-N 323.353 1.334 10 10 DDCE COc1cc(N=NN2CCN(C(C)=O)CC2)cc(OC)c1OC 2330246069 SPVOWZKNPIHNKW-UHFFFAOYSA-N 322.365 1.875 10 10 DDCE CC(=O)N(C)C1CN(c2ccc(CO)cc2Br)C1 2328083878 PFRGQNSKAPBOII-UHFFFAOYSA-N 313.195 1.608 10 10 DDCE Cc1ccc2cc(C=C3C(=O)NC(=S)NC3=O)c(O)nc2c1 8660959 OZBKGJPDGYOMRT-UHFFFAOYSA-N 313.338 1.163 10 10 DDCE CN(C)c1ccc(CNC(=O)NC[C@@]2(CCO)CCOC2)cc1 127798209 SZWWTKBGZDPJJY-QGZVFWFLSA-N 321.421 1.341 10 10 DDCE CC[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1O 400051578 VAAGZUSFEJACSZ-QPUJVOFHSA-N 307.306 1.133 10 10 DDCE Cc1cc(O)c(O)cc1CCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 170197154 BEODOHWJDCUDGM-ZDUSSCGKSA-N 320.389 1.322 10 10 DDCE COc1ccc(CN2C[C@H](C)[C@@H](N3CCOCC3)C2)c(O)c1 180235943 OZUUTFBGJUHFHF-BBRMVZONSA-N 306.406 1.553 10 10 DDCE COc1cccc(O)c1CNN(C)S(=O)(=O)C1CCC1 2365274244 ZFCUAYYUQCDFCZ-UHFFFAOYSA-N 300.380 1.220 10 10 DDCE Cn1ccnc1CC1CCN(C(=O)c2cccc(O)c2O)CC1 193142979 ZJTPCKCKZQWQPV-UHFFFAOYSA-N 315.373 1.926 10 10 DDCE CCOc1cccc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1O 245697790 CPEZPBWTCGTQIX-UONOGXRCSA-N 308.422 1.678 10 10 DDCE CC(C)[C@@H](CO)NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255211031 JHRYATHPBHIPQT-CTEOGUNLSA-N 318.417 1.670 10 10 DDCE CC(=O)N1CCN(C(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1 268610372 KSXXJMGPCAFROH-ZDUSSCGKSA-N 318.421 1.515 10 10 DDCE COc1ccc(N(C)CC(=O)N2CCOC[C@H]2C2CC2)cc1F 371373838 BPAANBQGZXNHDL-HNNXBMFYSA-N 322.380 1.908 10 10 DDCE Oc1cc2c(cc1CN1CC[C@H](OC(F)F)C1)[C@H](O)CO2 802747377 KLDWTHKPTFELCS-JOYOIKCWSA-N 301.289 1.632 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1ccn(-c2ccc(F)cc2)n1 808522481 UWLWYUUWQZGQJI-UHFFFAOYSA-N 304.277 1.255 10 10 DDCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)NC1(C(=O)O)CC1 588592715 ZMTGGXYOTHWXLP-UTCJRWHESA-N 316.357 1.270 10 10 DDCE COc1cc(Cl)cc(CN2CCN(CCO)C[C@@H]2C)c1O 825337229 FCTUUFDAXAOAPM-NSHDSACASA-N 314.813 1.553 10 10 DDCE COC(=O)CCNC(=O)CCN[C@@H](C)c1ccc(N(C)C)cc1 839564018 PXMJYQWMXFZUBV-ZDUSSCGKSA-N 321.421 1.473 10 10 DDCE CO[C@@]1(CN[C@H](C)c2cc(C)ccc2O)CCS(=O)(=O)C1 903366386 UOCISZAQRSAQKP-IUODEOHRSA-N 313.419 1.555 10 10 DDCE Cc1cc(O)c(CN[C@@H]2CCN(S(C)(=O)=O)C2)c(Cl)c1 846030518 FCPCDWGPZGKVST-SNVBAGLBSA-N 318.826 1.478 10 10 DDCE O=C(NCc1c(O)cccc1F)NC1CCN(C2CC2)CC1 913981035 DSUOTBLNYJZOMV-UHFFFAOYSA-N 307.369 1.957 10 10 DDCE COC(OC)[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 915367278 YUALRNVBCSQKDL-SNVBAGLBSA-N 313.373 1.698 10 10 DDCE CCN(CC)c1ccc(CNC(=O)NC[C@](C)(CO)OC)cc1 847292249 RIRALHILTSMJSN-QGZVFWFLSA-N 323.437 1.729 10 10 DDCE CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 856241728 YAUADAZOWDVBCT-NSHDSACASA-N 306.362 1.475 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCC(=O)O1 864635100 RWGZGDVPOBWCRP-OAHLLOKOSA-N 318.373 1.187 10 10 DDCE NC(=O)C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCO1 862535659 VCALZZBTHDQBJH-JTQLQIEISA-N 319.188 1.775 10 10 DDCE C[C@H](NC(=O)N[C@H]1CCn2ccnc2C1)c1ccccc1O 868521685 YADVDSZPDWMNJF-RYUDHWBXSA-N 300.362 1.964 10 10 DDCE COc1ccc(N2CCN(CCCNC3CSC3)CC2)cc1 780875534 RWPJXOOQEACRKK-UHFFFAOYSA-N 321.490 1.912 10 10 DDCE Oc1ccc(Br)cc1CN=c1ncnc2[nH][nH]cc1-2 794788444 TUSKVZSYIIGHSC-UHFFFAOYSA-N 320.150 1.807 10 10 DDCE CN[C@H](c1ccccc1O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C 1959921857 YZYBLZIWDRXDAD-HONMWMINSA-N 310.394 1.927 10 10 DDCE CC(C)N(CC(=O)C(=O)C[C@H]1C[C@H](N)C1)C(=O)OC(C)(C)C 1961043399 RYQQADRUESLGBM-HAQNSBGRSA-N 312.410 1.898 10 10 DDCE Cn1ncc(Br)c1C(=O)NCc1ccc(N)cc1 822057015 VEZSCFUHXLJEDJ-UHFFFAOYSA-N 309.167 1.695 10 10 DDCE C/C=C(\C)C(=O)NC[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1354322194 MCQFMUUBQIGHDO-RUYJGKKWSA-N 321.377 1.300 10 10 DDCE COC(=O)c1ccc2c(c1)N(C(=O)/C=C\c1cnn(C)c1)CC2 1627693148 JCZKUWJLELIGNL-UTCJRWHESA-N 311.341 1.809 10 10 DDCE CS(=O)(=O)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1623386296 CQHHBXGMFZDGCY-UHFFFAOYSA-N 321.354 1.683 10 10 DDCE CN(C)[C@]1(CNC(=O)Cc2ccc(O)c(O)c2)CCSC1 1629291287 BRGSJAMRUBBMSU-HNNXBMFYSA-N 310.419 1.194 10 10 DDCE Cc1occc(=O)c1OCC(=O)NCCc1ccc(O)c(O)c1 1636023083 WRXLJYMPSJJJIW-UHFFFAOYSA-N 319.313 1.097 10 10 DDCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN(C2CC2)C1 1636745277 NZOJISRWDGHVOQ-GFCCVEGCSA-N 304.390 1.583 10 10 DDCE COc1ccc(N(CC(=O)NC(N)=O)Cc2ccccc2)cc1 14898107 DFNQRCHWXIFTJF-UHFFFAOYSA-N 313.357 1.897 10 10 DDCE C[C@H](CNS(=O)(=O)CCOc1ccc(N)cc1)C(F)F 1922258446 LOYNWCOGQRVARY-SECBINFHSA-N 308.350 1.468 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NCc1cccc(O)c1O 1937554228 ZRSQERJVJMITIE-NWDGAFQWSA-N 324.377 1.480 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CCF)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1974895926 QRRCYSWRUCVEJU-DCAQKATOSA-N 316.373 1.505 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1ccccc1O 1985019977 LDPWNJMSEDGLQP-GXFFZTMASA-N 324.377 1.283 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NC(=O)Cc1ccc(N)cc1 1986712721 NGSQGRWANBPUMT-ZIAGYGMSSA-N 319.405 1.983 10 10 DDCE CCn1ncc(Br)c1[C@H](NN)c1ccccc1O 2033253355 CGZGUGSYRXBSDF-LLVKDONJSA-N 311.183 1.924 10 10 DDCE CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(OC)cc1O 2170597089 MBKWISVMRIULEK-WDEREUQCSA-N 301.408 1.875 10 10 DDCE O=C1NCCC[C@H]1NCc1cc(Br)cc(F)c1O 715819036 RYVJVFUZLGZHIB-SNVBAGLBSA-N 317.158 1.662 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)c1ccc(N2CCCC2)nn1 2064147527 VMJSGTZHANPMPN-UHFFFAOYSA-N 300.318 1.740 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CC[C@@](F)(CN)C2)s1 2269090358 LZVBTVNLXIKKDF-PELKAZGASA-N 303.428 1.948 10 10 DDCE CCCNCCCS(=O)(=O)NCc1cnc(SC)s1 2269277842 DKTOVPYBOVPRHL-UHFFFAOYSA-N 323.509 1.674 10 10 DDCE NC(=S)[C@@H]1CC(F)(F)CN1C(=O)c1cccc(O)c1O 2286069066 BHSVUXSVWKTJEZ-ZETCQYMHSA-N 302.302 1.234 10 10 DDCE CCN(Cc1cnn(C)c1)C(=O)C=Cc1ccc(O)c(O)c1 2307996551 QACZWKHYBKPDRL-UHFFFAOYSA-N 301.346 1.893 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCC[C@H](N)C2)s1 2345408584 OWPGVOMFLAKEOS-UFBFGSQYSA-N 301.437 1.679 10 10 DDCE COc1ccc(O)c(CN2Cc3ccccc3C[C@H]2C(N)=O)c1 179602259 CMRJMQHQQNZXFW-INIZCTEOSA-N 312.369 1.813 10 10 DDCE C[C@H]1C[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 170806505 DFBQOFUOTGPHHF-FZMZJTMJSA-N 307.369 1.870 10 10 DDCE COCCNCc1cc(F)c(N2CCC[C@@H]2CO)c(F)c1 62736767 SFKVYOMGIZXKNL-GFCCVEGCSA-N 300.349 1.662 10 10 DDCE CC[C@@H]1CN(Cc2ccc(OC)cc2O)CCN1C[C@@H](C)O 120763071 XYFYYNQFKUJYPO-UKRRQHHQSA-N 308.422 1.678 10 10 DDCE O=C(O)[C@@H]1CCCCN1S(=O)(=O)Nc1ccc(O)c(F)c1 70330076 RHVTWHNGXWCMSD-JTQLQIEISA-N 318.326 1.127 10 10 DDCE CC[C@H]1CN(Cc2cccc(OC)c2O)CCN1C[C@@H](C)O 120739357 ZSNUJFJZCRJRMH-HIFRSBDPSA-N 308.422 1.678 10 10 DDCE COC[C@@H](O)CN(C)c1ccc(CN)cc1Br 212940236 CEUUDVIDBYFBEE-JTQLQIEISA-N 303.200 1.351 10 10 DDCE CN(C(=O)CSc1nnnn1C1CC1)c1ccc(N)cc1 37285686 IAOQTHDXKVWFJP-UHFFFAOYSA-N 304.379 1.345 10 10 DDCE CO[C@H]1[C@@H](CF)N(c2ccc(CN)cc2Cl)C[C@H]1OC 2366427004 RLHWXNHVKNTNBW-MCIONIFRSA-N 302.777 1.987 10 10 DDCE CC(C)Oc1ccc(N(C)C[C@H](O)CN2CCOCC2)cc1 191599757 ZSVIKDROQKDGHA-INIZCTEOSA-N 308.422 1.603 10 10 DDCE CCOC(=O)CS(=O)(=O)N(Cc1ccc(N)cc1)C(C)C 49061622 PNJLQXCHCQWPGT-UHFFFAOYSA-N 314.407 1.372 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCN(c2ccccn2)CC1 242881484 GMAASXFJQHISBC-UHFFFAOYSA-N 313.357 1.384 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nn(C)cc1[N+](=O)[O-] 274902274 GOFBRDAHODCYON-QMMMGPOBSA-N 320.305 1.101 10 10 DDCE O=S1(=O)CC[C@H]2CN(Cc3c(O)cccc3Cl)C[C@H]21 377700457 NCBZIKPACBOIOZ-TVQRCGJNSA-N 301.795 1.665 10 10 DDCE COC(=O)C[C@H]1COCCN1Cc1cc2c(cc1O)CCC2 808212726 VJXDWRAKNQCDRO-HNNXBMFYSA-N 305.374 1.645 10 10 DDCE O=C(NCc1cc(Br)ccc1O)c1cnns1 804738713 ATNPGRKUEAQKCR-UHFFFAOYSA-N 314.164 1.936 10 10 DDCE COc1cc(Cl)cc(CN2CC3(C2)CN(C)C(=O)O3)c1O 817415837 BIWNWBMHKGTVHW-UHFFFAOYSA-N 312.753 1.691 10 10 DDCE C[C@H]1CN(c2ccc(CN)c(Br)c2)C2(CC2)C(=O)N1 2132025449 PBEHGAVAEGGFPA-VIFPVBQESA-N 324.222 1.765 10 10 DDCE COc1cc(CN2CCC(CO)(CO)C2)c(O)c(C(C)(C)C)c1 827475162 UFVQQOFZEIYWOK-UHFFFAOYSA-N 323.433 1.875 10 10 DDCE Cc1cc(O)c(CN2CCN(C(=O)[C@H](C)O)CC2)c(Cl)c1 840917877 UJKDAGKWJSCLID-NSHDSACASA-N 312.797 1.379 10 10 DDCE CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CNC1 843126025 DVVXMOFSSFBBTQ-UHFFFAOYSA-N 304.394 1.989 10 10 DDCE C[C@@H]1[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCN1C 925313044 LDYCHEQRLKXWJR-CZUORRHYSA-N 304.438 1.987 10 10 DDCE CCOC(=O)C[C@H](O)C(=O)N(C)Cc1ccc(N(C)C)cc1 773726121 OBSZUORKUBHSQT-AWEZNQCLSA-N 308.378 1.025 10 10 DDCE Cc1cc(Br)c(O)c(CN2CCNC(=O)[C@@H]2C)c1 781906318 XKKSBOAWJUCHBK-VIFPVBQESA-N 313.195 1.783 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H](C3)O4)c(Br)cc21 1899731627 OWTUNGYWJHHMDQ-KJNMHVQDSA-N 324.178 1.379 10 10 DDCE C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N(C)CCCN=[N+]=[N-] 1885557679 SKHYKRZCEHUCSR-SECBINFHSA-N 301.347 1.990 10 10 DDCE COc1ccc2c(c1)NC1(CCN(C)CC1)CN2[C@H](C)CN 76931208 GPBHIEAXDMUQOD-CYBMUJFWSA-N 304.438 1.739 10 10 DDCE CCOC(=O)[C@H]1CNCCN1C/C=C\c1ccc(N(C)C)cc1 1326198405 CSHLJRYUHZFUPK-KEGWNNHHSA-N 317.433 1.603 10 10 DDCE CN(Cc1cc(Cl)ccc1O)C[C@H]1CCS(=O)(=O)C1 769468566 LFWGURKWEDVETM-SNVBAGLBSA-N 303.811 1.912 10 10 DDCE C=CS(=O)(=O)CCC(=O)NCc1ccc(N(C)C)c(F)c1 1348791390 VEYCWHQTQLBGPE-UHFFFAOYSA-N 314.382 1.456 10 10 DDCE O=C(NC[C@@]12CCCC[C@H]1C2)C(=O)N1Cc2cccc(O)c2C1 1354871368 RXZDMLRWLBWQJI-UGSOOPFHSA-N 314.385 1.931 10 10 DDCE C[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 1448029082 PPEDBQSMOOBCNO-VIFPVBQESA-N 303.322 1.152 10 10 DDCE CCN(CC)C(=O)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1440648234 VRNFCQJFHBQNHY-UHFFFAOYSA-N 319.365 1.789 10 10 DDCE COc1cccc(CNC(=O)c2cnc([C@@H](C)O)s2)c1O 1636061099 FDPVVOSRYYBAHL-MRVPVSSYSA-N 308.359 1.841 10 10 DDCE COc1ccc(CN[C@H](C)CN(C)C(=O)c2cnn[nH]2)cc1C 1725493208 DWXFZWXZKKHPIO-GFCCVEGCSA-N 317.393 1.372 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cccc2nc(CO)[nH]c12 1637126248 PREVIJZQXWNVJB-UHFFFAOYSA-N 313.313 1.396 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2cocn2)cc1C 1731583233 UWVLCJFYTOICDZ-GFCCVEGCSA-N 303.362 1.900 10 10 DDCE O=C(NCc1cccc(O)c1O)[C@H]1CC(c2cccnc2)=NO1 1644710927 NMSKVVVNUJTWDA-CQSZACIVSA-N 313.313 1.302 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cc2cc[nH]c(=O)c2s1 1652625793 MKDOPDFZPSZHIE-UHFFFAOYSA-N 316.338 1.931 10 10 DDCE C[C@H](NC(=O)NCCCSc1nccs1)[C@@H](C)CO 153838978 JNWSODKEXMOWDE-UWVGGRQHSA-N 303.453 1.941 10 10 DDCE CN(C(=O)[C@@H](CO)CNC(=O)OC(C)(C)C)c1ccc(N)cc1 1993324612 KMLRZICCTDQKIX-LLVKDONJSA-N 323.393 1.365 10 10 DDCE C[C@@H]1C[S@](=O)CCN1c1ccc(CO)c(Br)c1 2004529375 HQUPYJMLVYECKH-VVVCHXIZSA-N 318.236 1.899 10 10 DDCE Cc1cc(O)c([C@H](C)n2ncc(S(C)(=O)=O)c2N)cc1C 2070207889 ZSOFPRVIMUSWER-JTQLQIEISA-N 309.391 1.801 10 10 DDCE CN[C@H](C)c1ccc(N2CC[C@@H](S(C)(=O)=O)C2)c(F)c1 2179927037 SEZAQYWXXFUKSP-ZYHUDNBSSA-N 300.399 1.729 10 10 DDCE CCOCCCS(=O)(=O)CC(=O)Nc1ccc(N)cc1 2235699169 RJPAGNBTXIXKIQ-UHFFFAOYSA-N 300.380 1.049 10 10 DDCE Nc1ccc(O)c(CN2CCC(NC(=O)C(F)(F)F)CC2)c1 2244251858 GGCYHRUZYCOJRH-UHFFFAOYSA-N 317.311 1.617 10 10 DDCE CCO[C@H]1CS(=O)(=O)C[C@@H]1NCc1cnc(SC)s1 2269090070 JIZNVOWLUBWGEM-UWVGGRQHSA-N 322.477 1.157 10 10 DDCE CN(C(=O)C[S@@](=O)CCC(F)(F)F)c1ccc(N)cc1 2283703232 MMOGJRNYQUPXFM-FQEVSTJZSA-N 308.325 1.933 10 10 DDCE CSc1ncc(CNC[C@@H]2CN[C@H]3CCOC[C@@H]3C2)s1 2284721472 CCYGVAYZLKSEEP-MDZLAQPJSA-N 313.492 1.969 10 10 DDCE NC(=O)[C@H]1CCCC[C@@H]1NC(=O)C=Cc1ccc(O)c(O)c1 2307989618 GKCLNTKGTJTGSO-RYUDHWBXSA-N 304.346 1.271 10 10 DDCE Cn1ncnc1CNC(=O)NCCCSc1nccs1 177843123 LHXBLYILBYBMCO-UHFFFAOYSA-N 312.424 1.253 10 10 DDCE C[C@@H](NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1O 20550777 KWZHTDIYCOPQRY-LLVKDONJSA-N 306.387 1.890 10 10 DDCE CN1C(=O)C[C@@H](N(C)Cc2ccc(N3CCCCC3)cc2)C1=O 125471782 CTLJHZGRMHSBMT-MRXNPFEDSA-N 315.417 1.866 10 10 DDCE O=[N+]([O-])c1cc(NS(=O)(=O)CCOCCF)ccc1O 2365574853 XWANRRBJDLJZBH-UHFFFAOYSA-N 308.287 1.028 10 10 DDCE CC(=O)N[C@H]1CCN(c2ccc(CN)cc2C(F)(F)F)C1 228304311 OMIXYUGTDAOFQE-NSHDSACASA-N 301.312 1.879 10 10 DDCE O=C(NCCCCN1CCOCC1)NCc1ccccc1O 299463515 ALEIATLWAIKOTF-UHFFFAOYSA-N 307.394 1.304 10 10 DDCE CO[C@@H](C)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 290789919 NYHPEDMHTLZHEG-KGLIPLIRSA-N 321.421 1.746 10 10 DDCE O=C(NCc1cc(Br)ccc1O)c1cc[n+]([O-])cc1 804737975 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C[C@H](N)c1ccc(N(C)[C@H]2CS(=O)(=O)C2(C)C)c(F)c1 2153846830 XCVNZUSNEZTRNZ-ZANVPECISA-N 300.399 1.857 10 10 DDCE O=C(NCC(F)(F)Br)c1cc(O)c(O)c(O)c1 2015120586 UUJKDPCYBYYUQP-UHFFFAOYSA-N 312.066 1.521 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](Nc2c(N)cccc2Cl)C1 400163435 HZSPLROSGLYNCF-SECBINFHSA-N 303.815 1.758 10 10 DDCE Nc1ccc(OCC(=O)Nc2[nH]ncc2Br)cc1 311202757 LFPKLCHHRUBCIG-UHFFFAOYSA-N 311.139 1.772 10 10 DDCE CC[C@@]1(CO)CCCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2063185962 VZQPTCWUOLGTDQ-MRXNPFEDSA-N 318.377 1.368 10 10 DDCE COc1cc(C(=O)N[C@H]2CCCC3(C2)OCCO3)cc(OC)n1 2166937597 LIEJZZBMZHACSV-LBPRGKRZSA-N 322.361 1.514 10 10 DDCE C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1c(F)cc(CN)cc1F 2170281119 WWFQGJUEVYTOSG-DTWKUNHWSA-N 304.362 1.435 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1CCn2ncnc2C1 2108918683 NZWLQSZZPROEDS-SNVBAGLBSA-N 323.194 1.851 10 10 DDCE CCN(c1ccc(OC)cc1CO)[C@@H](C)CS(C)(=O)=O 2236002688 NWQXOGDLVADXAT-NSHDSACASA-N 301.408 1.447 10 10 DDCE CCO[C@]1(CSc2ncc(C(=N)NO)s2)CCOC1 2278776523 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COc1c([N+](=O)[O-])ccc(CN2CC[C@H](C)[C@H](C(=O)O)C2)c1O 843040920 MCFCXWBZAKACMB-GXSJLCMTSA-N 324.333 1.852 10 10 DDCE CCn1cnc(S(=O)(=O)NCc2cccc(OC)c2O)c1 751310386 ZYFCCLGGCWCBKS-UHFFFAOYSA-N 311.363 1.096 10 10 DDCE CS(=O)(=O)CCCCNC(=O)NCc1c(O)cccc1F 922954073 HSUOXJJPNFYDCG-UHFFFAOYSA-N 318.370 1.155 10 10 DDCE CC[C@H](N[C@H](C)[C@@H](O)CO)c1cc(Br)ccc1O 698981476 ZWHUMIDTEVSDJG-WLTAIBSBSA-N 318.211 1.937 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@]3(C)CCCNC3)C2)cc1 852900723 QFRBPPUCTAGPLX-RDTXWAMCSA-N 317.433 1.780 10 10 DDCE O=C(CCNCc1ccc(Br)cc1O)NC1CC1 691467256 HRLPWSNIABVCGQ-UHFFFAOYSA-N 313.195 1.913 10 10 DDCE COc1cc(CN2CCN3C(=O)OCC[C@H]3C2)c(O)cc1C 768465917 SITIVQWSEDQAEO-ZDUSSCGKSA-N 306.362 1.736 10 10 DDCE CC[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)O1 1119003202 CZWQZLADLPCICN-YPMHNXCESA-N 318.373 1.260 10 10 DDCE CN(C(=O)c1cccc(O)c1O)[C@@H]1CCCc2c1cnn2C 1137661628 TVTKRFYAHGKWOO-GFCCVEGCSA-N 301.346 1.981 10 10 DDCE Nc1ncncc1CNC(=O)c1cc2cc(O)c(O)cc2s1 1137444790 MGFYIUTZVWNQBM-UHFFFAOYSA-N 316.342 1.615 10 10 DDCE CCOc1cccc(CN[C@H](C(=O)OC)c2ccn(C)n2)c1O 787438690 USHSWWJVSNIUFV-AWEZNQCLSA-N 319.361 1.528 10 10 DDCE C[C@H](NC(=O)N1CC(=O)N(C)[C@H](C)C1)c1ccc(N(C)C)cc1 799974818 FSFHKNQYNHTIRU-OLZOCXBDSA-N 318.421 1.686 10 10 DDCE Oc1c(F)cc(Br)cc1CN1C[C@H]2C[C@]2(O)C1 895644858 GUOUWASGTOPZFF-PELKAZGASA-N 302.143 1.860 10 10 DDCE C[C@H](NC(=N)NCc1ccc(N2CCOCC2)cc1)C1CC1 899265868 KZSFMACLSWLVRI-ZDUSSCGKSA-N 302.422 1.936 10 10 DDCE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN=[N+]=[N-] 1885561862 XHHFOVPMQMGKMS-DTWKUNHWSA-N 301.347 1.077 10 10 DDCE O=C(O)/C=C/c1ccc(N2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 1346114506 ZQMAFGQXYNDCSQ-CXLRFSCWSA-N 304.302 1.654 10 10 DDCE Cn1ccc(CCC(=O)NCc2ccc3cccnc3c2O)n1 1299726039 PYRUKHGGLGXRPI-UHFFFAOYSA-N 310.357 1.923 10 10 DDCE CN1CCc2cc([C@@H](N)c3nc(Br)nn3C)ccc21 2116540886 YNULTDZQKRWFOF-LLVKDONJSA-N 322.210 1.618 10 10 DDCE CCNC(=O)C(C)(C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1466254414 TXHXRXLENWTGCX-UHFFFAOYSA-N 319.365 1.741 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-n2cnnc2)cc1 1611580367 UNKFUDHKDOUSDE-UHFFFAOYSA-N 310.313 1.860 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](CN2CCCCC2)C1 1617812637 IBEWLCLMFPGQLT-HNNXBMFYSA-N 318.417 1.975 10 10 DDCE CC(C)CNC[C@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1716112589 PUGNHONZWMZCRO-ZDUSSCGKSA-N 321.381 1.185 10 10 DDCE COc1ccc(CNC(=O)c2cccc3nc(O)[nH]c23)c(O)c1 1639455792 IXARACBXRLFKOV-UHFFFAOYSA-N 313.313 1.913 10 10 DDCE Cn1nccc1[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1645227053 CFOIPOPTLILABZ-CYBMUJFWSA-N 301.346 1.738 10 10 DDCE CCOC(=O)c1cc(NC(=O)c2c(F)ccc(O)c2O)n[nH]1 1648685828 GLESFTHGFVFXKC-UHFFFAOYSA-N 309.253 1.389 10 10 DDCE CC(C)NCc1cc(F)c(N2CCO[C@@H](CO)C2)c(F)c1 167299811 JDTWTTFNMZCARX-GFCCVEGCSA-N 300.349 1.660 10 10 DDCE CC(=O)N[C@@H](C)CN=NNc1ccc2c(c1)OCC(=O)N2C 1860494243 WYVKORZKDFGJCE-VIFPVBQESA-N 305.338 1.346 10 10 DDCE CCN1CCN(Cc2ccc(N3CCNCC3)c(OC)c2)CC1 212637488 BLJZFRKYOSIEMS-UHFFFAOYSA-N 318.465 1.242 10 10 DDCE CC[C@@H](NCC(C)(C)NS(C)(=O)=O)c1ccccc1O 109041288 OQFOKMHEKHBPHB-GFCCVEGCSA-N 300.424 1.761 10 10 DDCE OC[C@@H]1COC[C@@H]1NCc1ccc(Br)cc1O 1942676820 RRWIXRGBQZEYPB-KOLCDFICSA-N 302.168 1.252 10 10 DDCE CN1C(=O)[C@@H](N)c2ccc(N(CC(N)=O)Cc3ccccc3)cc21 1946836441 WBZYEQWVMOMTDP-KRWDZBQOSA-N 324.384 1.155 10 10 DDCE COC(=O)[C@H]1CCN[C@H]1c1cccc(Br)c1O 1952859959 BQXUIJPJNAPQQT-WPRPVWTQSA-N 300.152 1.978 10 10 DDCE C[C@H](N)c1ccc(N(C)CCS(=O)(=O)N(C)C)cc1Cl 2151043939 HBHJHWBNJXQSKW-JTQLQIEISA-N 319.858 1.687 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC(C)(C)CC[C@@H]3CO)c2n1 2064290578 SIZXOKPBGVARGP-LLVKDONJSA-N 318.377 1.366 10 10 DDCE O=C(NCc1c(O)cc(O)cc1O)[C@@H]1CCC[C@H]2CCCN21 2065069071 DUAXTGYEIUWNEB-GWCFXTLKSA-N 306.362 1.437 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N1CC(OCc2ccccc2)C1 1148584003 KHVUUNSWTUUICX-UHFFFAOYSA-N 315.325 1.845 10 10 DDCE CO[C@@H](CN(C)S(=O)(=O)Cc1ccc(N)cc1)C(C)C 2188446412 CBDRMQGZDDBSHB-AWEZNQCLSA-N 300.424 1.701 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3[C@H](CO)[C@@H]3C2)cc1Br 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DDCE CN[C@H](C)c1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)cc1Cl 2361711187 JMMBDKUHLHYHQA-ISTVAULSSA-N 314.838 1.854 10 10 DDCE [N-]=[N+]=NCCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 42012780 XARFEJURILRUAV-UHFFFAOYSA-N 305.703 1.837 10 10 DDCE COC(=O)N[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 228677853 LPPOIDCTOHHGMK-LLVKDONJSA-N 314.769 1.985 10 10 DDCE CCOc1ccc(O)c(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)c1 371324826 AUUUQRGHMPFLNB-AEFFLSMTSA-N 320.433 1.822 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@H]3COC[C@@H](C2)O3)cc1F 802059978 BCXFWDJGBAQORT-BETUJISGSA-N 323.368 1.201 10 10 DDCE Cn1nncc1CC(=O)NCc1ccc(N2CCCCC2)cc1 824261331 ATFUXDGWMTWYHR-UHFFFAOYSA-N 313.405 1.664 10 10 DDCE OCCO[C@@]1(CNCc2ccc3ccccc3c2O)CCOC1 826942380 PGZXUTAHSWQABL-GOSISDBHSA-N 317.385 1.803 10 10 DDCE CCOC(=O)C1CCN(CC(=O)Nc2ccc(N)cc2)CC1 62460504 POLOGYWEYLXAMD-UHFFFAOYSA-N 305.378 1.482 10 10 DDCE COC[C@](C)(O)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 836405742 LJQAWOUTQIWPQT-SUMWQHHRSA-N 323.437 1.900 10 10 DDCE N=C1NC(=O)/C(=C/c2ccc(N3CCOCC3)c(F)c2)S1 901542634 QKZXNAVKTRJLHD-WQLSENKSSA-N 307.350 1.801 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)C1CCOCC1 735878706 WZWWNFDPZNIGKH-KRWDZBQOSA-N 320.433 1.889 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=O)C[C@H]3CCNC3)C2)cc1 831748456 CTUGXMREGGCRKG-CABCVRRESA-N 317.433 1.637 10 10 DDCE O=C(c1cccc(O)c1O)N1CC[C@H](Nc2ncccn2)C1 843942632 SQRRRDRZGGUDIC-JTQLQIEISA-N 300.318 1.214 10 10 DDCE CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)Nc1ccc(N)cc1 841295996 MGQANLBPTNBKJC-KGLIPLIRSA-N 321.377 1.843 10 10 DDCE O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1O 846103612 RZTKKFHEZFHMBJ-QDDONVENSA-N 316.766 1.659 10 10 DDCE CC[C@@](C)(CO)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 847363527 ZPCJMDFLYWALMW-KRWDZBQOSA-N 324.396 1.687 10 10 DDCE Cc1cc(C(=O)N2CN(C)C(=O)[C@H]2C)c(C)n1-c1ccccn1 844103544 PXDOEHJIODLPNR-CYBMUJFWSA-N 312.373 1.749 10 10 DDCE COC[C@H](OC)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855224745 GWHJNWIITRUIPJ-WFASDCNBSA-N 308.378 1.052 10 10 DDCE C[C@@]1(C2CC2)CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1 853529171 QQAYVBUSLCWSNZ-WBVHZDCISA-N 305.374 1.819 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 855229079 HKUCNSXYMSVMQK-YOEHRIQHSA-N 319.449 1.976 10 10 DDCE C[C@@H](CF)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 852354629 ILNAFBBIJZLEST-LBPRGKRZSA-N 309.385 1.805 10 10 DDCE C[C@H]1CN(C)C[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 756100696 MTPPYJSNHCEAKM-XJKSGUPXSA-N 307.413 1.702 10 10 DDCE CCOc1cccnc1C(=O)NCCc1ccc(O)c(O)c1 768900381 IDENYSJWMVXFPB-UHFFFAOYSA-N 302.330 1.864 10 10 DDCE COc1cncc(C(=O)NCCc2ccc(O)c(O)c2)c1C 866757345 QLDQSBGCXVCADJ-UHFFFAOYSA-N 302.330 1.782 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1C[C@H]1C 1117084312 LTPQJPRQEHPWRO-UKRRQHHQSA-N 317.433 1.873 10 10 DDCE NC(=O)CCCCC(=O)NCc1ccc(N2CCOCC2)cc1 779615598 LWPANFTYULPFLP-UHFFFAOYSA-N 319.405 1.185 10 10 DDCE COC(=O)[C@@H]1CC[C@H](C(=O)NCc2cccc(Cl)c2O)O1 890761672 VNCZDNYAWRRHBW-MNOVXSKESA-N 313.737 1.382 10 10 DDCE CCO[C@@H](CCN(C)C)CNC(=O)Cc1ccc(O)c(O)c1 1137489478 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C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H](O)C(F)(F)F 1556948406 MDLUHOFINQNDMV-HZGVNTEJSA-N 318.255 1.891 10 10 DDCE O=C(NC[C@H]1COc2ccccc2O1)c1c(F)ccc(O)c1O 1638124911 NRCVHLHGLDZUMA-VIFPVBQESA-N 319.288 1.807 10 10 DDCE N[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@H]1CO 2122345513 INBOTSROIDTENG-UFBFGSQYSA-N 305.205 1.841 10 10 DDCE NC(=O)c1ccc(/C=C/C(=O)NCCc2ccc(O)c(O)c2)o1 1636022870 RZSWBBSGGOXLCK-ZZXKWVIFSA-N 316.313 1.162 10 10 DDCE CCC[C@H](C)N1C[C@H](C(=O)NCc2c(O)cccc2O)CC1=O 1652622816 ITLSRAIAUADQJB-NWDGAFQWSA-N 320.389 1.751 10 10 DDCE COC[C@H](F)Cn1c(C)nnc1N(C)Cc1ccccc1O 1770784462 OUBBLCBYYKHQRI-CYBMUJFWSA-N 308.357 1.913 10 10 DDCE CCOCCOCCOC(=O)CNCc1ccc(N(C)C)cc1 1857871390 PGPQJPHNVXXVTQ-UHFFFAOYSA-N 324.421 1.439 10 10 DDCE CC1(NCc2cc(Cl)cc(Cl)c2O)CS(=O)(=O)C1 1918414332 NUEWETGZIPONAP-UHFFFAOYSA-N 310.202 1.976 10 10 DDCE NC(=O)NC1CC(NCc2cc(Br)ccc2O)C1 1967844393 HLQGNWWQFNKCBX-UHFFFAOYSA-N 314.183 1.444 10 10 DDCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CC[C@@H]1OCc1ccccc1 1934880727 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318.377 1.680 10 10 DDCE C[C@H](NS(=O)(=O)c1ccc(CN)s1)c1ccccc1O 2192631993 NTUYHPZXLLIPLN-VIFPVBQESA-N 312.416 1.952 10 10 DDCE C[C@]1(CO)COCCN1c1ccc(CO)cc1Br 2049911634 FZKCEJWFTMVARQ-ZDUSSCGKSA-N 316.195 1.529 10 10 DDCE OCc1ccc(N2CCO[C@H]3COC[C@H]32)c(Br)c1 2072505597 DLCIMWBWKUJSRV-OLZOCXBDSA-N 314.179 1.545 10 10 DDCE Cn1nc(Cn2ccc3c(c2=O)CNCC3)cc1Br 2111923351 VXTDSNYOSFELET-UHFFFAOYSA-N 323.194 1.038 10 10 DDCE CSc1ncc(CNS(=O)(=O)CCCCCN)s1 2257135154 NQLOZBKSEYRNSJ-UHFFFAOYSA-N 309.482 1.413 10 10 DDCE CN1C(=O)NC(=O)C(=Cc2cc(Cl)c(O)c(Cl)c2)C1=O 2294130746 DWEWPNFBSVEDFM-UHFFFAOYSA-N 315.112 1.791 10 10 DDCE Cn1cnc(Br)c1[C@H](O)[C@H](N)c1ccccc1O 2315658329 WSDJHVHBFFLKGK-MWLCHTKSSA-N 312.167 1.622 10 10 DDCE CN(Cc1nccn1C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 301944110 WLOFTACVDHPHTH-UHFFFAOYSA-N 317.305 1.296 10 10 DDCE Cc1cc(=O)[nH]c(SCC(=O)N(C)c2ccc(N)cc2)n1 37285710 YATQSPGASVOLAC-UHFFFAOYSA-N 304.375 1.416 10 10 DDCE COc1cc(Cl)c(N2C[C@@H](O)[C@H](N(C)C)C2)c(OC)c1 2368117360 LOSUZJCWZNFMGG-VXGBXAGGSA-N 300.786 1.468 10 10 DDCE COC(=O)[C@H]1C[C@H](O)CN1Cc1cc(Cl)cc(OC)c1O 373761890 CGBYWOSITKHLEG-WDEREUQCSA-N 315.753 1.162 10 10 DDCE O=C(NCc1cc(Br)ccc1O)c1csnn1 804739062 PCCIQMAKNVVSNC-UHFFFAOYSA-N 314.164 1.936 10 10 DDCE CCN(c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-])[C@H](C)CO 291852654 MLKVRNSQFKXNRO-BPOWMSRESA-N 308.334 1.988 10 10 DDCE O=[N+]([O-])c1cc(Cl)cc(CN2C[C@H]3COC[C@@H](C2)O3)c1O 802657343 YOIAXGOXBKZKFM-PHIMTYICSA-N 314.725 1.553 10 10 DDCE CCN1CCN(c2ccc(CNC[C@H](O)C3CC3)cc2F)CC1 819033453 PIDFYMOPNCZITD-SFHVURJKSA-N 321.440 1.828 10 10 DDCE COc1cc(O)c(CN2C[C@H]3CC[C@H]2[C@@H]2CNC[C@@H]32)cc1OC 903964499 UBGWLPYNZDQZIM-BEAPCOKYSA-N 318.417 1.839 10 10 DDCE Cn1cc(C(=O)NCc2c(O)ccc3c2CCCC3)nc1O 830559944 XNZKXUDPZPAZTD-UHFFFAOYSA-N 301.346 1.640 10 10 DDCE CN(C)c1ccc(/C=C/CNCCCN2CCNCC2)cc1 841031214 YVTJGXGMJNKNQT-HWKANZROSA-N 302.466 1.651 10 10 DDCE CC[C@H]1CC[C@@H](C)N1Cc1cc(O)n2ncc(C(=O)O)c2n1 846254072 CMNYCLXEHLMAAE-KOLCDFICSA-N 304.350 1.896 10 10 DDCE C[C@H]1CCNC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 841975960 JIZXSTZPIOKWKV-XJKSGUPXSA-N 304.438 1.892 10 10 DDCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CC12CC2 852387641 OCKCTFSFNLCIIR-MRXNPFEDSA-N 315.417 1.999 10 10 DDCE Cc1nc(CS(=O)(=O)NCc2c(O)cccc2F)cs1 921452348 MIDMATIEPOHHSK-UHFFFAOYSA-N 316.379 1.916 10 10 DDCE CSC[C@H]1NC(=O)N(CCCSc2nccs2)C1=O 924641136 QCWHMNJMZCWBIB-MRVPVSSYSA-N 317.461 1.909 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C)CCO)C2)cc1 854300579 WCBCQLYDRIBMML-UONOGXRCSA-N 321.421 1.592 10 10 DDCE CCc1cccc(CN2CCO[C@@H](CNC(=O)NC)C2)c1O 862462257 OZDSEKDGXMSHTC-AWEZNQCLSA-N 307.394 1.084 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)NCC[C@H]2CC=CCC2)cc1 861776059 FXHLLIRUQFXKSN-AWEZNQCLSA-N 315.417 1.790 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCn2ccnc2C1 935945685 GXFFDEQAVJVRPR-LBPRGKRZSA-N 320.389 1.953 10 10 DDCE CC[C@@]1(C(=O)NCc2ccc3cccnc3c2O)CCNC1=O 868936383 BDNCSWXDCGUHDW-QGZVFWFLSA-N 313.357 1.473 10 10 DDCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@H]4C[C@@H]43)nc12 761095432 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1.423 10 10 DDCE CC(C)(C)N1C[C@H](C(=O)NCc2c(O)cccc2O)CC1=O 1456235202 MFUHGVPJRFWUSX-SNVBAGLBSA-N 306.362 1.361 10 10 DDCE C[C@@H](NC(=O)C1CCCC1)C(=O)NCc1c(O)cccc1O 1472063147 FOIYAQUVJFLASR-SNVBAGLBSA-N 306.362 1.409 10 10 DDCE C[C@@H](CN1C(=O)CSC1=S)N1C(=O)CSC1=S 1615943975 KTSCQIHDIXMQLI-YFKPBYRVSA-N 306.459 1.096 10 10 DDCE O=C(COCc1ccnc(O)c1)NCc1c(O)cccc1F 1558455083 NLAUGRMCUUWIRI-UHFFFAOYSA-N 306.293 1.465 10 10 DDCE COc1ccc(CNC/C=C\CNC(=O)[C@@H](C)OC)cc1C 1699236519 KZWJUMPNTOYTIE-GEXIGZQTSA-N 306.406 1.801 10 10 DDCE OCCCOCCNCc1c(O)cccc1Br 1261788584 BETLWYZVGXQGJF-UHFFFAOYSA-N 304.184 1.643 10 10 DDCE CNCc1ccc(N(C)[C@H]2CCNC2=O)c(Br)c1 1916819263 UXYCLCLBTNUMHN-LBPRGKRZSA-N 312.211 1.493 10 10 DDCE O=C1Nc2cc(N3CC[C@](F)(CO)C3)c(Cl)cc2[C@@H]1O 1917135765 HQJZMGGWRRNJJD-WCQYABFASA-N 300.717 1.236 10 10 DDCE CC(C)OCCCCNS(=O)(=O)Cc1ccc(N)cc1 224904304 VEHNFOHILISOKC-UHFFFAOYSA-N 300.424 1.893 10 10 DDCE CC(=O)C(=O)[C@@H](O)c1cc(Br)c2c(c1)OCO2 1919073561 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CO[C@](C)(CO)CNCc1ccc(N2CCOCC2)c(F)c1 848559153 BBKRYQJCVVDETC-INIZCTEOSA-N 312.385 1.149 10 10 DDCE CCN(OC)C(=O)CNC1CCN(c2ccc(OC)cc2)CC1 842768999 ICZLWECQPSOZDA-UHFFFAOYSA-N 321.421 1.664 10 10 DDCE COc1ccc2c(n1)N(C)CCN2C(=O)/C=C\c1cnn(C)c1 928394452 OOKCHDPQYHYNCO-DAXSKMNVSA-N 313.361 1.320 10 10 DDCE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)c2cccc(O)c2O)C1 855354013 QJXPGBGCTAXTBY-LOWVWBTDSA-N 309.362 1.394 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn2c(n1)COCC2 860696942 JCMTULFLDZUVOI-JTQLQIEISA-N 317.345 1.186 10 10 DDCE CCOC(=O)[C@@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 866757080 IWFOJEQCQICBSF-QWHCGFSZSA-N 321.373 1.736 10 10 DDCE COCCn1cc(C(=O)N2Cc3cccc(O)c3C2)c(C)n1 871204632 MTRZAUAOESAWAY-UHFFFAOYSA-N 301.346 1.700 10 10 DDCE C[C@@H](Cn1cncn1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 773275450 FFAXJQISLTUGPJ-QWHCGFSZSA-N 316.409 1.793 10 10 DDCE COC[C@@H](CO)NCc1c(C(=O)OC)n(C)c2ccc(F)cc12 894616188 FFQVHGLTONWCFT-LLVKDONJSA-N 324.352 1.201 10 10 DDCE C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC(=O)N1 897905122 JXCLDXLRRBROQZ-ZETCQYMHSA-N 306.343 1.273 10 10 DDCE CC(C)NC(=O)[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 897981517 JELQMUWMYAVYMA-QMMMGPOBSA-N 322.386 1.955 10 10 DDCE Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCc1cccc(O)c1O 1528771598 QTQLFKQNEGTYAH-VIFPVBQESA-N 303.362 1.933 10 10 DDCE CN1CCc2cc([C@H](O)c3nc(Br)nn3C)ccc21 2116542233 AWEWVDDJBGIZID-NSHDSACASA-N 323.194 1.652 10 10 DDCE CCOC(=O)C1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1467305463 WAJYEBFDOOQKRS-UHFFFAOYSA-N 318.333 1.922 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1cncnc1-n1cccn1 1469573575 JDWSLDFNANGXHR-HYXAFXHYSA-N 323.312 1.725 10 10 DDCE CNC(=O)c1cccc(N(C)C(=O)/C=C\c2cncc(O)c2)c1 1471959966 NPTVIZGEMFAHKK-SREVYHEPSA-N 311.341 1.823 10 10 DDCE CO[C@@]1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCOC1 1556099523 SPOPQEHYWRXKSC-CQSZACIVSA-N 306.322 1.384 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccsn1 1556157502 CTUXXAANNUAYQR-VIFPVBQESA-N 308.359 1.681 10 10 DDCE C=C/C=C\CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC 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NC(=S)c1ccsc1NC(=O)c1cc(O)c(O)c(O)c1 2285121077 KEGIVUUITNFSEF-UHFFFAOYSA-N 310.356 1.751 10 10 DDCE COc1cc(OC)c(N2CC[C@@H](CO)[C@@H](N)C2)cc1Cl 2285935929 KYVUQRNBOSGNPO-ONGXEEELSA-N 300.786 1.503 10 10 DDCE CN=c1[nH]c(C(=O)NCc2cnc(SC)s2)cs1 2257012912 IEEIHVXGZXISEL-UHFFFAOYSA-N 300.434 1.715 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2C[C@H]3NCCO[C@@H]3C2)s1 2284493950 HQBQKLGFSVKFLQ-FBIMIBRVSA-N 313.448 1.248 10 10 DDCE CCC(CC)(CO)NS(=O)(=O)CCOc1ccc(N)cc1 70490849 XKHNVBUADOZORA-UHFFFAOYSA-N 316.423 1.118 10 10 DDCE CCCN(Cc1ccc(N)cc1)C(=O)[C@@H]1CCS(=O)(=O)C1 86018654 BXCIMLCHUDBVRZ-CYBMUJFWSA-N 310.419 1.442 10 10 DDCE C[C@H]1CN(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)CCO1 237601239 SJPDXNUQHOVKSN-AWEZNQCLSA-N 317.433 1.523 10 10 DDCE CNC(=O)NC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1 529644783 XPEZJCXXQIWQDT-GFCCVEGCSA-N 313.785 1.175 10 10 DDCE C[C@@H]1C[C@H]1N1C[C@@H](NCc2cc([N+](=O)[O-])ccc2O)CC1=O 363263834 CGZPXASDUXIEOC-SUZMYJTESA-N 305.334 1.399 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCN(C3CC3)CC2)cc1 299313809 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1566358527 FQJOEDUMSRHLPT-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE CCn1cc(C(=O)C(=O)NCc2cccc(Cl)c2O)cn1 1640405253 OEDFIFONVQCQEO-UHFFFAOYSA-N 307.737 1.761 10 10 DDCE COC(=O)c1ccccc1C(=O)NCc1ccc(O)cc1O 1643104104 MMUBUIZYGYPFLS-UHFFFAOYSA-N 301.298 1.814 10 10 DDCE COc1ncc(/C=C/C(=O)N(C)c2ccc(C(=O)O)cc2)cn1 1866371458 GXGCDTCGRYUIPX-FPYGCLRLSA-N 313.313 1.860 10 10 DDCE Nc1ccc(OCCN2CCC(NC(=O)C3CC3)CC2)cc1 586044615 HTXSSFLWVQJZMG-UHFFFAOYSA-N 303.406 1.638 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)N1CCC[C@H](O)C1 1914132859 QOGBIBUMLYZTDR-VIFPVBQESA-N 306.771 1.159 10 10 DDCE CS(=O)(=O)N1CCC(CN2CC[C@@H](CN=[N+]=[N-])C2)CC1 1912162845 BCJNMCHKVIMTTF-LBPRGKRZSA-N 301.416 1.290 10 10 DDCE CC(=O)C(=O)[C@@](C)(O)C1CCC(NC(=O)OC(C)(C)C)CC1 1919269994 UUCRYCWFSDGHBO-PPUFBPAQSA-N 313.394 1.979 10 10 DDCE CC(C)(CCCO)CNS(=O)(=O)Cc1ccc(N)cc1 227879053 KYZFFIKABUFKIM-UHFFFAOYSA-N 300.424 1.487 10 10 DDCE CN[C@@H](C)c1ccc(N2CCSC[C@H]2S(C)(=O)=O)cc1 251704690 OUIPYDXYJVCCCC-SMDDNHRTSA-N 314.476 1.891 10 10 DDCE COc1ccc(N2CCNCC2)c(Br)c1OC 1951893975 NGINXIVBDPONBO-UHFFFAOYSA-N 301.184 1.876 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1Nc1c(N)cccc1C(N)=O 1986714240 YQJMORKGDGLAHU-RYUDHWBXSA-N 320.393 1.835 10 10 DDCE Oc1ccc(Br)cc1CN[C@@H]1C[C@H](O)C[C@@H]1O 2000838145 WYFKTUHCFVABOW-UMNHJUIQSA-N 302.168 1.129 10 10 DDCE Oc1cc(Br)ccc1CN1C[C@H]2OCCO[C@@H]2C1 2032425383 YCNCULPIWVZJIS-CHWSQXEVSA-N 314.179 1.754 10 10 DDCE CCn1nnc(Br)c1CNCc1ccc(N)cc1 2038832263 AJFYRGRAPOFDRQ-UHFFFAOYSA-N 310.199 1.933 10 10 DDCE CS(=O)(=O)N[C@@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2177384640 BPWZPIWVUWMYTI-SECBINFHSA-N 321.805 1.066 10 10 DDCE COC(=O)N[C@@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2177377808 OTTZBGQVQOYLEG-SECBINFHSA-N 301.749 1.873 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCOC[C@@H]1C(F)(F)F 2064386121 LKIMLBXRFPWXMP-VHSXEESVSA-N 319.279 1.724 10 10 DDCE NCc1cc(F)c(N2C[C@H](CO)OCC23CC3)cc1Cl 2183972176 PUCATSMAVQJHNI-SNVBAGLBSA-N 300.761 1.668 10 10 DDCE NCc1ccc(N2CCO[C@H](CCO)C2)c(Br)c1 2052689505 SRZGDCDDVIQDAU-LLVKDONJSA-N 315.211 1.495 10 10 DDCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)c1csc(=N)[nH]1 2191775923 IBXFLINOMKTTAM-QMMMGPOBSA-N 312.420 1.318 10 10 DDCE O=C1Nc2cc(N3C[C@@H](F)C[C@@H](O)C3)c(Cl)cc2[C@@H]1O 2234665279 MANZXRBXRGJNBJ-KJNMHVQDSA-N 300.717 1.235 10 10 DDCE C[C@@H](N)c1ccc(N2CC3(CCC(=O)N3)C2)c(Br)c1 2229699483 MXHOFYIDKAFWEX-SECBINFHSA-N 324.222 1.938 10 10 DDCE Cc1cc([C@H](C)O)ccc1N1CC(S(=O)(=O)C(F)F)C1 2240844340 OJNKMLWCTNUKNG-VIFPVBQESA-N 305.346 1.874 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@@H]2[C@@H](O)CO)c(Br)c1 2258342095 MONXRLAYWNBFKK-CKLFPEKLSA-N 316.195 1.434 10 10 DDCE COCCN1C(=O)C(=Cc2cccc(O)c2)C(C(=O)OC)=C1C 2294061380 YRQMRCAEKPCOHP-UHFFFAOYSA-N 317.341 1.711 10 10 DDCE O=C1NN(c2cccc(F)c2)C(=O)C1=C1C(=O)Nc2ccccc21 2297368328 CDNIIUJDSUXPEZ-UHFFFAOYSA-N 323.283 1.609 10 10 DDCE COC[C@@H](O)CNCc1ccc(C)c(Br)c1O 2307472699 FMWXQTHROUYGQG-JTQLQIEISA-N 304.184 1.560 10 10 DDCE Cc1ccc(CN[C@H](CO)[C@H](C)O)c(O)c1Br 2307475708 SXCFQTBQYAAMHA-WCBMZHEXSA-N 304.184 1.294 10 10 DDCE Cc1ccc(CNC[C@@H]2COC[C@@H]2O)c(O)c1Br 2327626962 QUBOJNORBNDUNZ-MNOVXSKESA-N 316.195 1.560 10 10 DDCE Nc1ccc(NC(=O)CCC[S@](=O)C2CCOCC2)cc1 62055824 BOOADSKKSGGTOK-OAQYLSRUSA-N 310.419 1.915 10 10 DDCE c1cc(N2CCOCC2)ccc1CN[C@@H]1CCc2[nH]ncc2C1 124601174 IVSYVZAMMBXMGH-MRXNPFEDSA-N 312.417 1.893 10 10 DDCE CNS(=O)(=O)c1ccc(N(C)Cc2ccc(N)cc2)cc1 37672635 JGQXYWIPICPDNI-UHFFFAOYSA-N 305.403 1.813 10 10 DDCE O=[S@]1[C@H]2CC[C@H]1CN(Cc1cc3c(cc1O)OCO3)CC2 529672420 GKJWSLTXVHSICE-OABGYEMISA-N 309.387 1.606 10 10 DDCE Cc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(O)c(F)c1 85201358 OOLUGUTWOVYKBX-UHFFFAOYSA-N 304.324 1.390 10 10 DDCE COc1cccc(CNC(=O)CO[C@@H](C)c2nccn2C)c1O 806763336 RIBDPOISKYKQTD-NSHDSACASA-N 319.361 1.528 10 10 DDCE CC(=O)C(=O)COC(=O)CCN(C(=O)OC(C)(C)C)C(C)C 808544176 VHGGAZJPDBMIHK-UHFFFAOYSA-N 315.366 1.723 10 10 DDCE N[C@H]1CCC[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 817934389 FXWCTOPTWFOEHQ-LSDHHAIUSA-N 311.376 1.771 10 10 DDCE C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C(C)(C)O 738988932 JLLTURBDSMGQOW-CYBMUJFWSA-N 321.421 1.482 10 10 DDCE CC(C)c1cnc(/C=C2\SC(N3CCOCC3)=NC2=O)[nH]1 901441393 APFJKZPXTJYPHS-XFFZJAGNSA-N 306.391 1.836 10 10 DDCE CN(C)c1ccc(/C=C/CN2CC[C@@H](NS(C)(=O)=O)C2)cc1 835026896 YJPOXSTYJXVJMA-MBVDDHJVSA-N 323.462 1.389 10 10 DDCE CC(C)CN(Cc1cc(O)n2ncc(C(=O)O)c2n1)C1CC1 846235393 DSYVBQXNGPHLIU-UHFFFAOYSA-N 304.350 1.754 10 10 DDCE O=C(C[C@@H]1CC(=O)N1)NCc1cc(Br)ccc1O 854442183 JKMUCRHHKBPEEU-SECBINFHSA-N 313.151 1.050 10 10 DDCE Cc1cc(CC(=O)N[C@H](CO)[C@@H](C)O)c(C)n1-c1ccccc1 857286601 CSXSKHIRPYVOMT-RHSMWYFYSA-N 316.401 1.495 10 10 DDCE CC(C)(C)N1CC[C@@H](NC(=O)NCc2c(O)cccc2F)C1=O 923019656 UMZFERGIVDKOGQ-GFCCVEGCSA-N 323.368 1.730 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N(C)CC[C@@H](C)O)C2)cc1 854299364 HSOMKDSHLMSWGV-ZIAGYGMSSA-N 321.421 1.686 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@]3(O)CCSC3)C2)cc1 855233700 KWQQPRKZXKFWBV-BLLLJJGKSA-N 322.430 1.258 10 10 DDCE CNC(=O)[C@H]1CCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1O 868463234 IUQUVSNVNXZXDX-WCFLWFBJSA-N 305.378 1.667 10 10 DDCE CN(C)CCn1cc(C(=O)N2Cc3cccc(O)c3C2)cn1 871205637 IWZQCHXFFYHMED-UHFFFAOYSA-N 300.362 1.306 10 10 DDCE COC(=O)[C@@]1(O)CCN(Cc2cc(F)c(N(C)C)cc2F)C1 895701681 BXLQVPISRMTYJO-OAHLLOKOSA-N 314.332 1.141 10 10 DDCE CCN(Cc1cn(C)nn1)C(=O)/C=C\c1ccc(O)c(O)c1 782103327 QTJNCCFXOAXYGV-ALCCZGGFSA-N 302.334 1.288 10 10 DDCE COCCN1CCC[C@@H]1CNCc1cc(C)cc(OC)c1O 894221730 PZONOCDKVCDTJR-OAHLLOKOSA-N 308.422 1.910 10 10 DDCE C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 897664831 XINDPRKWDXIJAY-WPPNPWJKSA-N 320.370 1.567 10 10 DDCE Cn1c(CNC(=O)c2c(F)ccc(O)c2O)nnc1C1CCC1 790077734 YMDGHAKOICLSAT-UHFFFAOYSA-N 320.324 1.563 10 10 DDCE O=C(O)[C@@H]1CCCN1Cc1ccc(N2CCCNCC2)cc1 84846321 YFFRLSDOSVNVBW-INIZCTEOSA-N 303.406 1.535 10 10 DDCE O=C(O)[C@@H](NCc1c(O)ccc(Cl)c1F)[C@@H]1CCCO1 1261845938 SLTXOMONZMOOAE-JQWIXIFHSA-N 303.717 1.907 10 10 DDCE CCOC(=O)c1cc(C(=O)NCc2cccc(O)c2O)[nH]c1C 1455317398 UBQNORQBZMAYCT-UHFFFAOYSA-N 318.329 1.841 10 10 DDCE Cc1cccc([C@@H](O)CNC(=O)Cc2ccc(O)c(O)c2)c1 1545647923 ZQHJRJREJOVUBE-INIZCTEOSA-N 301.342 1.799 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@H]1Cc2cc(F)ccc2O1 1558534890 YXDHAYILGPCSRY-OAHLLOKOSA-N 303.289 1.857 10 10 DDCE Cc1nc(O)nc(S)c1C(=O)NCc1c(O)cccc1F 1596916161 BBBYVBNZGOOBLJ-UHFFFAOYSA-N 309.322 1.554 10 10 DDCE NCCN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 1964642802 LGCXADSKUQKVKX-UHFFFAOYSA-N 304.221 1.775 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2csnn2)cc1C 1690606591 QUFORJRNYGXATN-LLVKDONJSA-N 320.418 1.763 10 10 DDCE Nc1ccc(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)cc1 322057174 BUFTVJKTKLFQKG-HNNXBMFYSA-N 314.341 1.329 10 10 DDCE Cc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2=O 14647571 UZTCIKUQXMKDLJ-ZBFHGGJFSA-N 318.281 1.495 10 10 DDCE biogenic CN(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928469325 HBANDHZHRAPCIP-JSGCOSHPSA-N 309.410 1.847 10 10 DDCE Nc1ccc(CC(=O)N(OCc2ccccc2)C2CNC2)cc1 1989365809 AVHGNHJMVOOPQH-UHFFFAOYSA-N 311.385 1.744 10 10 DDCE CCNCc1ccc(N(C)CCS(C)(=O)=O)c(Cl)c1 164092247 JNHKKUOGENHZMN-UHFFFAOYSA-N 304.843 1.930 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1C[C@H](O)C[C@@H]1O 2000837047 PHYYMMSHRCWZKR-GDPRMGEGSA-N 302.168 1.129 10 10 DDCE CN[C@@H](C)c1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)cc1Cl 321121598 CWPAYGFTLSSTPC-ZMLRMANQSA-N 314.838 1.996 10 10 DDCE CN1CCc2nc[nH]c(=NCc3ccc4cccnc4c3O)c2C1 2060432496 GTHSWEOTBZLFDZ-UHFFFAOYSA-N 321.384 1.752 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@H]3C(C)(C)O)c2n1 2062743656 GKMBCAJSUHHSAK-NSHDSACASA-N 304.350 1.119 10 10 DDCE COc1cc(Cl)cc(CN2C[C@@H](F)[C@H](C(=O)O)C2)c1O 2177159336 LQJUYRSZWVBJIM-NXEZZACHSA-N 303.717 1.909 10 10 DDCE CCN([C@@H](C)CS(C)(=O)=O)[C@@H](C)c1c(O)cccc1O 2170424335 HXNDUTKGEQFAHS-QWRGUYRKSA-N 301.408 1.914 10 10 DDCE Nc1ccc(CS(=O)(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(F)F)cc1 2192278537 RFATUVGLTLUQLQ-GDNZZTSVSA-N 302.346 1.542 10 10 DDCE CP1(=O)CCN(CCNCc2c(O)cccc2F)CC1 2199637498 RMUBPQXWTNOUIT-UHFFFAOYSA-N 300.314 1.929 10 10 DDCE CO[C@@H](CSc1ncc(C(=N)NO)s1)[C@@H]1CCOC1 2278780089 VUVRULUNHWULPD-SFYZADRCSA-N 303.409 1.591 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2occc2CO)s1 2269091979 CHKXQXVTILUUNW-UHFFFAOYSA-N 320.417 1.429 10 10 DDCE COc1cc(OC)c(N2CCC[C@](O)(CN)C2)cc1Cl 2285851634 RREPFVSUOQHSBI-AWEZNQCLSA-N 300.786 1.647 10 10 DDCE COc1cc(OC)c(N2CCOC[C@@H](CO)C2)cc1Cl 2285920851 WWYWXBCYYHNARH-SNVBAGLBSA-N 301.770 1.802 10 10 DDCE Cc1ccc(CN[C@@H]2COC(=O)C2)c(O)c1Br 2307476151 XXZBLTAGOKCZSS-VIFPVBQESA-N 300.152 1.868 10 10 DDCE Cc1nc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)no1 173292205 PBGZLGWHJULOPU-UHFFFAOYSA-N 313.361 1.754 10 10 DDCE C[C@H](O)c1cc(F)c(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)c(F)c1 2361606578 SNVAMKSWJJNELA-QOSJWCAFSA-N 303.330 1.251 10 10 DDCE [N-]=[N+]=NCCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1 131439260 NRRIAOHOQVPXAZ-UHFFFAOYSA-N 303.275 1.713 10 10 DDCE Cc1cc(O)c([C@@H]2CNCCN2)cc1I 238489565 WMHDUKDHMRJXJE-JTQLQIEISA-N 318.158 1.539 10 10 DDCE C[C@@H]1C(=O)NCCN1c1ccc(CN)c(Br)c1F 231840001 SNEDPJIIYZERLC-SSDOTTSWSA-N 316.174 1.372 10 10 DDCE NC(=S)NCC(=O)N(c1ccccc1)c1ccc(N)cc1 243058099 IITYPMXBDFFEQL-UHFFFAOYSA-N 300.387 1.767 10 10 DDCE CCOc1ccc(O)c(CN2CCO[C@@H](CC(=O)OC)C2)c1 271170337 HJDOSRPVSWDECY-AWEZNQCLSA-N 309.362 1.555 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(Br)cc(C)c1N 808517178 STVDIVLCLMOGDA-UHFFFAOYSA-N 314.135 1.655 10 10 DDCE CCOC(=O)C1(C(=O)NCc2ccccc2O)CCOCC1 802777515 LVRPMDMZQFQJKR-UHFFFAOYSA-N 307.346 1.368 10 10 DDCE COC[C@@H](N)[C@H](N)c1ccc(OCc2ccccc2)cc1O 713798804 LBXJZZWFKAIPCG-NVXWUHKLSA-N 302.374 1.945 10 10 DDCE CC(C)n1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1 816029112 VUQDTUSOYKARMC-SNVBAGLBSA-N 304.350 1.631 10 10 DDCE CCOC(=O)[C@H]1[C@H]2CN(C(=O)c3c(F)ccc(O)c3O)CC[C@H]21 900536007 DFODKDWTRWRLOY-VDDIYKPWSA-N 323.320 1.508 10 10 DDCE O=C1CC[C@@H]2[C@@H]1[C@@H]2C(=O)NCc1cc(Br)ccc1O 908169822 ANVSSXRRUDZKMD-JIMOISOXSA-N 324.174 1.996 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@]2(O)CCOC2)c1 845451899 AAXZOYJDFVKLIZ-MEDUHNTESA-N 324.377 1.303 10 10 DDCE COc1ccc(N2CC[C@H](N3C(=O)N[C@H](C(C)C)C3=O)C2)cc1 849356391 DXKGITKRDOHHKU-DZGCQCFKSA-N 317.389 1.850 10 10 DDCE C[C@@H]1COCC[C@@H]1S(=O)(=O)NCc1c(O)cccc1F 921452338 LZJBIKPHBVTOJU-RNCFNFMXSA-N 303.355 1.376 10 10 DDCE C[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ncnn21 855329035 ZIPZIPBOTNVTLM-FYGOAMBHSA-N 300.318 1.525 10 10 DDCE COC[C@@H](C)OC(=O)N1CCN(c2ccc(OC)cc2)CC1 866389764 VSMZTJCPUVTVCA-CYBMUJFWSA-N 308.378 1.989 10 10 DDCE COCCOCCN(CCO)Cc1cc(Cl)cc(F)c1O 862468456 IXEZRYUJWGTUBC-UHFFFAOYSA-N 321.776 1.642 10 10 DDCE C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1nnc(O)n1C 866061820 SGPZSFNJYFQXLE-JTQLQIEISA-N 318.381 1.147 10 10 DDCE COCCOCCN(CCO)Cc1cc(Cl)c(C)cc1O 862468321 HDGSMPPTSQKPMH-UHFFFAOYSA-N 317.813 1.811 10 10 DDCE COc1ccc(CNC(=O)[C@]23C[C@H]2COC32CCC2)c(O)c1 935771431 RVWLTYMYVFXNQI-SJCJKPOMSA-N 303.358 1.976 10 10 DDCE CN(CCN1CCCS1(=O)=O)Cc1cc(Cl)ccc1O 769559886 ZJPJLOPUIYGMCE-UHFFFAOYSA-N 318.826 1.513 10 10 DDCE CON(C)C(=O)CCN(Cc1ccccc1O)C[C@H]1CCCO1 788018298 AHIBYNFAXNKUEK-OAHLLOKOSA-N 322.405 1.783 10 10 DDCE CN(C)c1ccc(CNC(=O)C2CN([C@@H]3CCOC3)C2)cc1F 895980114 CUEFQNNVSBGCGD-CQSZACIVSA-N 321.396 1.229 10 10 DDCE CS(=O)(=O)[C@@H]1CCC[C@H](NCc2c(O)cccc2F)C1 896637921 RJTYRVIECMNOOH-WDEREUQCSA-N 301.383 1.977 10 10 DDCE Cn1cc2c(n1)CCC[C@@H]2C(=O)NCc1cc(O)ccc1O 1303226122 XKGUZYSEFRHKPX-LBPRGKRZSA-N 301.346 1.568 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)[C@H]2COCCO2)cc1C 1321464194 OSTLXGZYUYYRBP-CZUORRHYSA-N 322.405 1.013 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cnn(-c2ccccn2)c1 1444456589 YHEAOBVVBLXMGT-UHFFFAOYSA-N 310.313 1.860 10 10 DDCE C[C@H](NC(=O)c1cncc(-n2ccnn2)c1)c1ccccc1O 1557967459 CWBAMVJLVZLYQD-NSHDSACASA-N 309.329 1.859 10 10 DDCE CCN(CCNCCCO)C(=O)c1ccc(N=NC(N)=O)cc1 1482971055 ULDDOSGCYJAYMD-UHFFFAOYSA-N 321.381 1.283 10 10 DDCE O=C(NCCCSc1nccs1)[C@H]1CCCn2ncnc21 1632807153 OTMYSWQCLXPSMF-JTQLQIEISA-N 323.447 1.911 10 10 DDCE CCOC(=O)C[C@@H](O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1567777591 YIDVOQXABNBRAM-SMDDNHRTSA-N 308.378 1.244 10 10 DDCE CNC(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 1638356182 HLHSDVRIXDYDDQ-UHFFFAOYSA-N 315.329 1.779 10 10 DDCE COC(=O)c1cc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)no1 1631543940 YUTOOZQBWDLCMT-QMMMGPOBSA-N 320.301 1.666 10 10 DDCE O=C(NCCCSc1nccs1)c1ccnc(CO)c1 1585228649 SHFYOLAQWOWDFS-UHFFFAOYSA-N 309.416 1.943 10 10 DDCE NC(=O)N1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 1585222704 PGWVDLKKCQWTAJ-QMMMGPOBSA-N 321.358 1.195 10 10 DDCE COc1cc(O)c2c(c1)C(=O)c1c(O)c(C)cc(O)c1C2=O 14760938 VUUONEBXXLQCQX-UHFFFAOYSA-N 300.266 1.896 10 10 DDCE biogenic,in-vitro CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N)cc2)c1 160379442 NZDHIIKGKJBICG-UHFFFAOYSA-N 305.359 1.429 10 10 DDCE CC(C)NC(=O)CN[C@H](C)c1ccc(N2CCC(O)CC2)cc1 160909477 PWXHIELOIHUIKF-CQSZACIVSA-N 319.449 1.823 10 10 DDCE Nc1ccc(OCCN2CCC[C@@H](NC(=O)C3CC3)C2)cc1 586061622 BIGSXJPBBSITFU-OAHLLOKOSA-N 303.406 1.638 10 10 DDCE C[C@@H](N)c1ccc(N(CCO)C2COC2)cc1Br 1915538965 NVPDBZANAIBZMY-SECBINFHSA-N 315.211 1.666 10 10 DDCE CNC(=O)[C@H](C)N(C)Cc1cccc(Br)c1O 1916790281 MUMBELDMRRZVAX-QMMMGPOBSA-N 301.184 1.721 10 10 DDCE O=S(=O)(Nc1ccc(O)c(C(F)(F)F)c1)c1cn[nH]c1 121953259 RFEOJRWGZNIMND-UHFFFAOYSA-N 307.253 1.935 10 10 DDCE C[C@@H](CC(N)=O)N(C)Cc1ccc(Br)cc1O 1946083804 MQGNKYVMTPRFJE-QMMMGPOBSA-N 301.184 1.850 10 10 DDCE CC1([C@@H]2CCCCN2CC(=O)Nc2ccc(N)cc2)OCCO1 2145803221 JHDHCSTVSTVWFR-HNNXBMFYSA-N 319.405 1.825 10 10 DDCE CO[C@@H]1COC[C@@H]1CNCc1cccc(Br)c1O 2036603546 WKKLAPBJVWCBIT-CMPLNLGQSA-N 316.195 1.906 10 10 DDCE Cn1ncc(CO)c1S(=O)(=O)Nc1ccc(O)c(Cl)c1 2157751404 VMTNFESXUWNPMS-UHFFFAOYSA-N 317.754 1.072 10 10 DDCE O=C(NC1[C@H]2CN(Cc3ccccc3)C[C@H]12)c1cccc(O)c1O 365579315 WJTAJZBPXKSADF-GJZGRUSLSA-N 324.380 1.958 10 10 DDCE C[C@H]1CN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)CCN1 2053929335 OEGGVNAZJSGQST-HNNXBMFYSA-N 315.417 1.357 10 10 DDCE COC[C@](C)(CO)N(C)c1ccc(CN)cc1Br 689752732 UJSCMQYUJOHGGN-ZDUSSCGKSA-N 317.227 1.741 10 10 DDCE CN(CC[S@](C)=O)c1ccc(CN)c(Br)c1F 398945782 JHWJSMGNLNOIQS-KRWDZBQOSA-N 323.231 1.862 10 10 DDCE CN(Cc1cc(Br)cc(F)c1O)[C@@H]1[C@@H]2CNC[C@@H]21 2041791824 DIFSQRHQWKXNQR-PEGIJTEDSA-N 315.186 1.943 10 10 DDCE C[C@H]1CC[C@H](CNS(=O)(=O)Cc2ccc(N)cc2)S1 2095323990 NPPWBFSCPGGYLQ-GXFFZTMASA-N 300.449 1.972 10 10 DDCE O=S(=O)(NCCNCc1ccc(F)cc1O)C(F)(F)F 2204744856 PYOMAUBZNQHMDS-UHFFFAOYSA-N 316.276 1.060 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](C)CCC(=O)O)s1 2269094496 SNQFBDYSDLRCDB-SSDOTTSWSA-N 303.409 1.918 10 10 DDCE CO[C@H](CN)CNCc1ccc(C)c(Br)c1O 2307564714 CIJICVKWQKZTEV-SNVBAGLBSA-N 303.200 1.526 10 10 DDCE CN1C[C@H](c2cc(N)ccc2O)N(C(=O)OC(C)(C)C)CC1=O 1952913466 YUSUEQIQPRUDEL-GFCCVEGCSA-N 321.377 1.725 10 10 DDCE CCC(=O)N(C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1508927108 FKTBDRDJJQKEIP-SNVBAGLBSA-N 319.365 1.836 10 10 DDCE COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc2c(c1)OCCO2 33281864 KXMKOBXJQMAQNS-YRNVUSSQSA-N 301.298 1.418 10 10 DDCE CN(Nc1nc([C@H]2[C@H](C(=O)O)C2(C)C)cs1)S(C)(=O)=O 2365283987 ZEHLGYMZAPVJCE-JGVFFNPUSA-N 319.408 1.186 10 10 DDCE COc1cc(Cl)c(N(C[C@H](C)O)C[C@@H](C)O)c(OC)c1 2368271345 SBRHOCCCMSYFMB-AOOOYVTPSA-N 303.786 1.925 10 10 DDCE COc1cccc(CNC(=O)NCCCN2CCOC2=O)c1O 266852746 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10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)N[C@@H]2CCC(=O)N(C)C2)c1 756595400 SRGUEFYMWVWYDB-ZYHUDNBSSA-N 306.362 1.450 10 10 DDCE O=C1C[C@H](C(=O)NCc2c(O)cccc2F)[C@@H]2CCCC[C@@H]2N1 928712839 VZMOQKNBIHXJID-MJVIPROJSA-N 320.364 1.842 10 10 DDCE CN(C)c1ccc(CN2CCC(c3nc(N)n[nH]3)CC2)cc1 852057150 XVWASTJRSKUVCA-UHFFFAOYSA-N 300.410 1.833 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2cn3c(n2)COCC3)c1 860242695 TVVQCTDNFZNANF-JTQLQIEISA-N 317.345 1.619 10 10 DDCE C[C@H]1C[C@@H]1c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1 762250635 FCTNYYAKAGQYMB-CBAPKCEASA-N 309.347 1.937 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@@H](c2nn[nH]n2)C1 779533229 COZNKGCNUYWSDX-VLWUPBBWSA-N 315.333 1.030 10 10 DDCE CC[C@H](CNCc1ccc(N2CCOCC2)c(F)c1)C(=O)OC 895121114 UPQCXFDOASJPKL-CQSZACIVSA-N 324.396 1.951 10 10 DDCE COCCOc1ncccc1NC(=O)c1cccc(O)c1O 790639140 ALKKNBPLXXSTHQ-UHFFFAOYSA-N 304.302 1.770 10 10 DDCE O=C(N[C@H]1CCc2ccccc2NC1=O)c1cccc(O)c1O 1300147045 WMBLBDFXDHNOKY-ZDUSSCGKSA-N 312.325 1.781 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)CC(=O)OC 1449117488 HPVBSXAZRGLEGB-JTQLQIEISA-N 300.351 1.693 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)c2ns[nH]c2=O)cc1 1469804270 FFJCODPHBTUOMI-UHFFFAOYSA-N 322.390 1.048 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cccc2nc(CO)[nH]c12 1558536470 ZCPCZDRYSYIBKZ-UHFFFAOYSA-N 313.313 1.396 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(Cn2ccnn2)CC1 1630793346 NDASRBDPPLRTBB-UHFFFAOYSA-N 316.361 1.171 10 10 DDCE CCN(CC)C(=O)CCCC(=O)NCc1c(O)cccc1O 1652626557 YQELFLSBJLUNRO-UHFFFAOYSA-N 308.378 1.753 10 10 DDCE NCCNc1cc2c(c3c1C(=O)c1cnccc1C3=O)NCCN2 1777003553 GDYSYCAWAKDGFJ-UHFFFAOYSA-N 323.356 1.065 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCc2ccccc2O)O1 1964889917 OHMOQHOHMCRKOM-CYBMUJFWSA-N 322.361 1.949 10 10 DDCE CC1=NN(C(N)=S)C(=O)[C@H]1N=Nc1ccc(C)c([N+](=O)[O-])c1 252461174 LCIXUCVLYXIPGI-JTQLQIEISA-N 320.334 1.817 10 10 DDCE Cn1nnc(Br)c1CN1CCC[C@H](N=[N+]=[N-])C1 1912143605 IJQUCACVFLOSRA-ZETCQYMHSA-N 300.164 1.852 10 10 DDCE C[C@@H](N)c1ccc(N2CCNC(=O)C(F)(F)C2)c(Cl)c1 2146738146 JJOWYVUBGDBNJH-MRVPVSSYSA-N 303.740 1.931 10 10 DDCE C[C@H](O)c1ccc(N2CC([N+](=O)[O-])C2)c(Br)c1 2016887418 JGFLOLHTFGXIPU-ZETCQYMHSA-N 301.140 1.968 10 10 DDCE CC(=O)N1CCN(C2=NC(=O)C(=Cc3ccccc3)S2)CC1 2053498731 RESLHGOIJGHNHG-UHFFFAOYSA-N 315.398 1.821 10 10 DDCE CNCc1ccc(N2CC(NC(C)=O)C2)cc1Br 388180536 NUDMZTAZHASHGZ-UHFFFAOYSA-N 312.211 1.493 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 2062227696 OFTVQEIAFOCRIC-SSDOTTSWSA-N 318.251 1.447 10 10 DDCE CCNC(=O)c1cn([C@@H](C)c2ccc(OC)cc2O)nc1O 2070632895 NAIDYEREZAJUDB-VIFPVBQESA-N 305.334 1.662 10 10 DDCE Nc1ccc(OCC(=O)N2CCCC[C@H]2C2OCCO2)cc1 2089561521 RMJFNUVGFFANEV-AWEZNQCLSA-N 306.362 1.402 10 10 DDCE OCC[C@@H](O)CCNCc1cc(Br)cc(F)c1O 2326759571 ACACQKNUIWJZLU-JTQLQIEISA-N 322.174 1.517 10 10 DDCE COCCNCc1ccc(N(C)C[C@@H](O)COC)c(F)c1 62737667 GEXXZEVEGSNQTR-CYBMUJFWSA-N 300.374 1.005 10 10 DDCE CC(=O)N(C(=O)CC1CCS(=O)(=O)CC1)c1ccc(N)cc1 170226347 YIJCEWGUWRNXKI-UHFFFAOYSA-N 324.402 1.363 10 10 DDCE CCN(CC)C(=O)N1CCN(c2ccc3c(c2)CC(=O)N3)CC1 62093632 NKWXAJPKOBJBQX-UHFFFAOYSA-N 316.405 1.765 10 10 DDCE CN(C)C(=O)CN(C)c1ccc(CN)cc1Br 212889757 SCOVBEHNDUAHKV-UHFFFAOYSA-N 300.200 1.432 10 10 DDCE Oc1cc2c(cc1CN1CCC[C@H](Cn3cncn3)C1)OCO2 128621574 QJPVDNXQKJYTLX-LBPRGKRZSA-N 316.361 1.625 10 10 DDCE Cc1cc(NS(=O)(=O)c2c(C(=O)O)n[nH]c2C)ccc1O 148138483 BLKUYHHWQINXFB-UHFFFAOYSA-N 311.319 1.231 10 10 DDCE O=C1N[C@@H](c2cc(Cl)cc(Cl)c2O)N2CCOC[C@H]12 93884592 LPXJREDBWDWJKI-MWLCHTKSSA-N 303.145 1.528 10 10 DDCE C[C@@H](N[C@H]1CCN(C)C1=O)c1ccc(N2CCOCC2)c(F)c1 90075416 BEFRXEDFNCGBCS-DOMZBBRYSA-N 321.396 1.544 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC(F)(F)C[C@@H]2CO)c1O 365823525 LYBWVJWLBZKYGZ-SECBINFHSA-N 318.276 1.511 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(OC2CCOCC2)cc1 808521635 YBYLZFMMKQJKTO-UHFFFAOYSA-N 306.314 1.559 10 10 DDCE OC[C@H](CNCc1cc2c(cc1O)OCO2)c1cccnc1 808431345 RIGXFJAZQJNCJK-ZDUSSCGKSA-N 302.330 1.382 10 10 DDCE CCCCOc1ccccc1NC[C@H](O)CN1CCOCC1 819420132 OVRSUOZMKVUSEG-HNNXBMFYSA-N 308.422 1.971 10 10 DDCE Cc1cc(NS(=O)(=O)c2sc(=O)[nH]c2C)ccc1O 148645978 JQHCWIADJULCQH-UHFFFAOYSA-N 300.361 1.560 10 10 DDCE Cc1cnc(C(=O)N2CCOc3ccc(N(C)C)cc3C2)cn1 581789758 METNEWMNSKOCJE-UHFFFAOYSA-N 312.373 1.886 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCCC2(CN)CC2)c1 846182749 CRWOECDBNQALPT-LLVKDONJSA-N 307.394 1.890 10 10 DDCE C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H](C)N 841706807 LGHLONSSGSGFCK-OLZOCXBDSA-N 322.478 1.775 10 10 DDCE COC[C@@H]1C[C@@H](O)CN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 845126245 ZABTUWPANZBIBC-UHOFOFEASA-N 321.421 1.605 10 10 DDCE c1cc(N2CCOCC2)ccc1CN[C@H]1CC12CCNCC2 841078176 FNHNGKQOIZTKSC-KRWDZBQOSA-N 301.434 1.755 10 10 DDCE FC1(F)CCNC[C@@H]1NCc1ccc(N2CCOCC2)cc1 841075785 WUQSZTUXUDHZNA-HNNXBMFYSA-N 311.376 1.610 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@@H]2CNC(=O)c3ccccc32)cc1 858161442 QIYKSRSUHUTGMD-QGZVFWFLSA-N 323.396 1.896 10 10 DDCE C[C@H](NC[C@H]1CC2(CCNCC2)C(=O)O1)c1ccc(F)cc1O 925857986 RFFLFOWYLVTLPX-WCQYABFASA-N 322.380 1.867 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N(C)CC[C@H](C)O)C2)cc1 854299359 HSOMKDSHLMSWGV-KBPBESRZSA-N 321.421 1.686 10 10 DDCE COC(=O)C1(S(=O)(=O)NCc2c(O)cccc2F)CCC1 921451959 ZPJJHFMUVWQCGN-UHFFFAOYSA-N 317.338 1.046 10 10 DDCE CN1CCOC[C@H]1CNC(=O)NCc1cc(Cl)ccc1O 858836704 AYCMMJGLQOFIDD-GFCCVEGCSA-N 313.785 1.175 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@@H]1CC(=O)N(CC2CC2)C1 924030737 IYDQDOHTNUWIHQ-LLVKDONJSA-N 321.352 1.341 10 10 DDCE Cc1ccc([C@H](C)NCC(C)(C)CS(N)(=O)=O)c(O)c1 866571556 CUEIAHROSRADRB-NSHDSACASA-N 300.424 1.666 10 10 DDCE CO[C@H](C(=O)NCc1ccc2cccnc2c1O)[C@H]1CCOC1 862024583 BSJHTRYQXKBGPK-BBRMVZONSA-N 316.357 1.608 10 10 DDCE CC(=O)c1cc(F)cc(Cn2cc([C@@H]3CCCNC3)nn2)c1O 880996374 SZCWUKCNYYKGKD-LLVKDONJSA-N 318.352 1.841 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NCc1cccc(O)c1O 1898129764 ZRSQERJVJMITIE-VXGBXAGGSA-N 324.377 1.480 10 10 DDCE C[C@@H](NC[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1O 797117810 NGUZKBCDRNVEGH-OLZOCXBDSA-N 312.435 1.857 10 10 DDCE COc1ccc2c(c1)NC1(CCNCC1)CN2CCN(C)C 76934513 MSWXUYGTYPCGRM-UHFFFAOYSA-N 304.438 1.611 10 10 DDCE CN1CCN(c2ccc(CN3C[C@@H](O)C4(CC4)C3)cc2F)CC1 1320486871 OTGBAUZTRMNHQR-QGZVFWFLSA-N 319.424 1.534 10 10 DDCE CN(C[C@@H]1CCCCO1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1348597158 QWBUTYIYHSOBDW-ZDUSSCGKSA-N 318.373 1.262 10 10 DDCE COc1ccc(CNCCN(C)C(=O)C[C@H]2CCOC2)cc1C 1267424220 HMNPXWAUWGYACI-MRXNPFEDSA-N 320.433 1.978 10 10 DDCE CN(CCCNC(=O)C1CCC1)C(=O)Cc1ccc(O)c(O)c1 1447664122 LCDSWJXHPAFTOK-UHFFFAOYSA-N 320.389 1.405 10 10 DDCE COc1c(C(=O)NCc2cc(O)ccc2O)cccc1[N+](=O)[O-] 1455355525 BKMUQVHZMXFZRB-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE Cc1nc(O)nc(O)c1CC(=O)NCc1cc(Cl)ccc1O 1469877933 YVUOXBYJVVWDDC-UHFFFAOYSA-N 323.736 1.414 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCc1ccccc1[N+](=O)[O-] 1626593211 YYQCJAFTZVWVEB-UHFFFAOYSA-N 316.313 1.907 10 10 DDCE CC1(C)CCN(C(=O)Cc2ccc(O)c(O)c2)CC[S@]1=O 1556622186 NAEIPBOYRBRXEB-OAQYLSRUSA-N 311.403 1.400 10 10 DDCE COc1ccc(N2CCCN(CCNC(=O)C3CC3)CC2)cc1 1652319576 QFRDYOGCMJVQEG-UHFFFAOYSA-N 317.433 1.734 10 10 DDCE COC[C@@H](C)C(=O)N(C)CCNCc1ccc(OC)c(C)c1 1663851513 UDPBHKXSMMPUSV-CQSZACIVSA-N 308.422 1.834 10 10 DDCE CN(C)c1ccc(CNCCC(=O)N2CCC[C@H]2C(=O)O)cc1 1857863273 VHOBFBBYRKGPBC-HNNXBMFYSA-N 319.405 1.308 10 10 DDCE CN(CCN=[N+]=[N-])S(=O)(=O)c1cncc(Br)c1 1912168886 XPKLOXZSILHDIF-UHFFFAOYSA-N 320.172 1.775 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H]1[C@H](O)[C@H](N)c1ccccc1O 1920259303 KIOXKHJHQZZTFY-BNOWGMLFSA-N 308.378 1.762 10 10 DDCE CS[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 235052819 SSNFMCHDCFFYDY-CHWSQXEVSA-N 300.449 1.972 10 10 DDCE CC(C)(C)OC(=O)NCCN(CCO)CCc1ccc(N)cc1 1977925557 LMIQKBBCKGUOQK-UHFFFAOYSA-N 323.437 1.630 10 10 DDCE C[C@@H]1C[S@@](=O)CCN1c1ccc(CO)cc1Br 2004527984 AXIZUSWVSISMRB-XLFHBGCDSA-N 318.236 1.899 10 10 DDCE CS(=O)(=O)C[C@H]1CCCN(Cc2cccc(F)c2O)C1 294029506 VLXCBUDAAWXGTE-NSHDSACASA-N 301.383 1.788 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)c(F)c1 400849117 PCQOOFMISMTESH-DCAQKATOSA-N 300.399 1.857 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)c1ccc(CO)cn1 2157770486 WBEWGBKGZJTTNO-UHFFFAOYSA-N 314.750 1.734 10 10 DDCE CS(=O)(=O)c1cc(C(=O)NCCN=[N+]=[N-])ccc1Cl 701319087 OUIOOZCLJQNKON-UHFFFAOYSA-N 302.743 1.784 10 10 DDCE O=S1(=O)[C@H]2CC[C@H]1CN(c1ccc(CO)cc1Cl)CC2 708839851 OVZADQIZLHFWLC-RYUDHWBXSA-N 315.822 1.988 10 10 DDCE Nc1ccc(OCC(=O)N2CCSCC(F)(F)C2)cc1 2193332237 NKOACTDFZQMWLG-UHFFFAOYSA-N 302.346 1.858 10 10 DDCE CCN(c1ccc(N)cc1)S(=O)(=O)C[C@@H](C)C(=O)OC 2183508248 QZDHVHBYDTWPCT-SNVBAGLBSA-N 300.380 1.234 10 10 DDCE CN(Cc1cnn(C)n1)c1ccc(CO)cc1Br 2052296469 BKENBCFDPRAHEP-UHFFFAOYSA-N 311.183 1.706 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ncc(Br)cn1 2102377442 KRFQNUFBJGTUAZ-UHFFFAOYSA-N 324.134 1.832 10 10 DDCE Cn1nc(Br)c(C(=O)N2CC[C@H](N=[N+]=[N-])C2)n1 2214376725 KLZKCEYJRBVDJW-YFKPBYRVSA-N 300.120 1.102 10 10 DDCE Cn1nc(Br)c(C(=O)c2cccc3c2NCC3)n1 2220221457 CCXWKMNRRIEYDA-UHFFFAOYSA-N 307.151 1.777 10 10 DDCE CO[C@@H]1[C@H](OC)CN(c2ccc(CO)cc2Cl)[C@@H]1CO 2233353154 LCVVGFVKAQHZHL-MCIONIFRSA-N 301.770 1.043 10 10 DDCE COCCOCCOCCS(=O)(=O)CCCCN=[N+]=[N-] 2240396186 XKIKTILPMXSLSR-UHFFFAOYSA-N 309.388 1.171 10 10 DDCE CO[C@H](CSc1ncc(C(=N)NO)s1)[C@H]1CCOC1 2278780088 VUVRULUNHWULPD-JGVFFNPUSA-N 303.409 1.591 10 10 DDCE O=C1N=C(N2CCOCC2)SC1=C1C(=O)Nc2ccccc21 2296672252 AJYFLMBCGVADEZ-UHFFFAOYSA-N 315.354 1.311 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CC[C@@H](CN3CCOCC3)C2)c1 129504555 UYTVAHQEAYXQMY-ZDUSSCGKSA-N 321.377 1.455 10 10 DDCE CN[C@@H](CO)c1cc(I)c(C)cc1O 238363099 UINONCUYZLMZHK-VIFPVBQESA-N 307.131 1.558 10 10 DDCE COc1cc(C)cc(CN2CCN(CC(C)(C)O)C[C@H]2C)c1O 249132121 SNOGFIBEHIXVQE-CQSZACIVSA-N 322.449 1.986 10 10 DDCE COc1cc([C@H]2Oc3cc(O)cc(O)c3C(=O)C2=O)ccc1O 84611174 QDSHROKCANMMJF-MRXNPFEDSA-N 316.265 1.698 10 10 DDCE C[C@H]1COCC[C@H]1NCC(=O)N(C)Cc1ccc(N(C)C)cc1 277571305 VBRGYJPFVXIGAM-WMLDXEAASA-N 319.449 1.726 10 10 DDCE CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)C(C)=O 808537403 NUMSRCKHPUOOLT-LBPRGKRZSA-N 307.302 1.865 10 10 DDCE CCOC(=O)c1c(COC(=O)c2cccc(O)c2O)noc1C 811189413 VTSUHTAUHLWYTI-UHFFFAOYSA-N 321.285 1.928 10 10 DDCE CCc1cccc(CN2CCN(CCC(=O)N(C)C)CC2)c1O 848889572 MJWKECNOFTXLPX-UHFFFAOYSA-N 319.449 1.551 10 10 DDCE CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCc1c(O)cccc1F 921727720 QSRIQHZVGJIHDM-JOYOIKCWSA-N 309.341 1.245 10 10 DDCE COC1(OC)CC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 924712541 ZKTQQNWXOORLAM-MRXNPFEDSA-N 324.396 1.903 10 10 DDCE Cc1ccc(O)c(CNC(=O)NCC[C@H]2CC(=O)N(C)C2)c1 924756175 LTTHLWCCMGKFOG-LBPRGKRZSA-N 305.378 1.368 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CN3CCCC3=O)C2)cc1 855229501 OLGPAAZELWBISV-CYBMUJFWSA-N 317.389 1.013 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@](C)(O)C(C)C)C2)cc1 855228235 YBPNSNFCSOXHBX-GUYCJALGSA-N 306.406 1.797 10 10 DDCE CC[C@H](CO)N(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854296819 GSBHPQBUYSUVJW-ZIAGYGMSSA-N 321.421 1.686 10 10 DDCE NC(=O)[C@@H]1CCCN(c2ccc(CNCc3cocn3)cc2)C1 758306308 DXLCQEQTUYIMGV-CQSZACIVSA-N 314.389 1.666 10 10 DDCE CO[C@H](C(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O 866596314 DCSPDHSLANHTEY-ZDUSSCGKSA-N 309.362 1.707 10 10 DDCE COC[C@@H](C)OC(=O)NCc1ccc(N2CCOCC2)cc1 866582371 JKNLPUMXBLUMOC-CYBMUJFWSA-N 308.378 1.784 10 10 DDCE C[C@H](NC(=O)NC[C@H](C)S(C)(=O)=O)c1ccccc1O 868438601 MJSNLWCOEYXBNX-UWVGGRQHSA-N 300.380 1.186 10 10 DDCE CN(C)c1cc(F)c(CN2CCn3c(O)nnc3C2)cc1F 862326243 LNKJMAWYTSMVFA-UHFFFAOYSA-N 309.320 1.344 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2CCn3nccc32)C1 861593625 IDLYUQFBFKNKPP-GFCCVEGCSA-N 318.377 1.843 10 10 DDCE CC(=O)N1C[C@H]2C[C@H]1CN2c1ccc(CN)cc1Br 1877075028 ZLWNDTBIWOYDPS-NWDGAFQWSA-N 324.222 1.717 10 10 DDCE C[C@@H](NC(=O)C(=O)N1CC(C)(F)C1)c1ccc(N(C)C)cc1 1325141627 LLVANYREQZFHOU-LLVKDONJSA-N 307.369 1.500 10 10 DDCE Cn1ncc(NC(=O)c2cccc(O)c2O)c1Br 694105449 YPBPBKXASOMVDV-UHFFFAOYSA-N 312.123 1.846 10 10 DDCE Cn1nccc1[C@H](O)CNCc1ccc(N2CCCC2)cc1 1332798202 PUDDNHSKDMYEDX-QGZVFWFLSA-N 300.406 1.844 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCOc1ccccc1F 1440904815 WUAOHVYRVFOVAR-UHFFFAOYSA-N 305.305 1.975 10 10 DDCE CN(C)Cc1ccc(C(=O)NCc2cccc(O)c2O)cn1 1520510102 WLDZRDBPWXDDKW-UHFFFAOYSA-N 301.346 1.484 10 10 DDCE O=C(N[C@H]1c2ccccc2C[C@H]1O)c1c(F)ccc(O)c1O 1611021268 UCGCNDBARNMIEG-OCCSQVGLSA-N 303.289 1.625 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(C)nc1Cl 1632680870 HDKQRKHNLYSHKD-MRVPVSSYSA-N 309.753 1.846 10 10 DDCE COC(=O)[C@H](COC1CCC1)N(C)C(=O)c1cc(O)cs1 1566402109 ZJWGLDOSRIAOGC-NSHDSACASA-N 313.375 1.636 10 10 DDCE COc1cccn2ncc(C(=O)NCc3cccc(O)c3O)c12 1593744726 SBSQJQAIIFQEGK-UHFFFAOYSA-N 313.313 1.684 10 10 DDCE COC(=O)[C@@H]1CO[C@H](CCC(=O)NCc2ccc(O)c(O)c2)C1 1595595419 DZWXCADEJJATBS-NWDGAFQWSA-N 323.345 1.072 10 10 DDCE O=C(CNC(=O)Nc1ccccc1)NCc1cc(O)ccc1O 1593873396 NVLZGURXOGJGGZ-UHFFFAOYSA-N 315.329 1.536 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)C=C(C)C)cc1C 1676498751 FYQHCPQGWQGEOC-HNNXBMFYSA-N 306.406 1.537 10 10 DDCE C[C@H](Oc1ccccc1/C=C1\SC(=S)N(N)C1=O)C(=O)O 16905042 OOBSADJVOVDEJE-LOBLAWFCSA-N 324.383 1.613 10 10 DDCE C[C@H](O)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2)SC1=S 1858592228 JKLFVMXMZRVBBP-ZLNXOTNDSA-N 323.395 1.722 10 10 DDCE Cn1nnc(Br)c1CNCc1ccc(F)cc1O 1967712584 GAFKIPBBPXSYIQ-UHFFFAOYSA-N 315.146 1.712 10 10 DDCE O=C(NS(=O)(=O)Nc1ccc(O)cc1)OCc1ccccc1 1923803611 YDHXSDXJEJDHKW-UHFFFAOYSA-N 322.342 1.975 10 10 DDCE C[C@@]1(c2cc(I)ccc2O)COC(=O)N1 1951529484 UXAGUFDERWWUSY-JTQLQIEISA-N 319.098 1.952 10 10 DDCE COc1cc(Br)cc([C@@H]2NCCC[C@@H]2O)c1O 1952867414 RZWMLNYDNINMMU-ONGXEEELSA-N 302.168 1.949 10 10 DDCE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)N1CC(N=[N+]=[N-])C1 1985094532 QCVCIBPWZPBEDV-OUAUKWLOSA-N 323.353 1.142 10 10 DDCE CNCc1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)cc1Cl 703137973 MDWWXVMOQAUMBK-LLVKDONJSA-N 317.842 1.187 10 10 DDCE CN1C[C@@H](CNCc2c(O)cccc2Br)CC1=O 723581425 KPNVMKFPGLNOHC-SECBINFHSA-N 313.195 1.723 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@]34C[C@@H]3COC4(C)C)c2n1 2065069960 BKTUUJKBSCHTPJ-RFAUZJTJSA-N 302.334 1.041 10 10 DDCE C[C@@H](N)c1cc(F)c(N(C)[C@@H]2CCS(=O)(=O)C2)c(F)c1 2194692556 VEASPBQSZISLJU-PSASIEDQSA-N 304.362 1.608 10 10 DDCE C[C@@]1(CO)COCCN(c2cc(Cl)c(CN)cc2F)C1 2199841694 INPVMFNIPRZKDR-CQSZACIVSA-N 302.777 1.773 10 10 DDCE COc1cc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)ccc1CN 2204557881 VJBMJXNBTLGICT-MNOVXSKESA-N 300.424 1.412 10 10 DDCE CCN(c1ccc(OC)cc1CN)[C@H](C)CS(C)(=O)=O 2235957385 FLDWFWZSMNRRBK-LLVKDONJSA-N 300.424 1.413 10 10 DDCE COC(=O)[C@H](C)CS(=O)(=O)NCc1cnc(SC)s1 2269090615 ONBOKKUWUIGQKT-SSDOTTSWSA-N 324.449 1.094 10 10 DDCE CO[C@@H](CCNC(=O)NCc1cnc(SC)s1)C(=O)O 2284504355 LTUMUGRSYOJWKV-QMMMGPOBSA-N 319.408 1.154 10 10 DDCE COc1cc(OC)c(N2C[C@H](O)[C@@H](O)[C@H]2CF)cc1Cl 2285876419 YZMABTFAQRPOHI-NRUUGDAUSA-N 305.733 1.237 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)NCCCCO 2312279318 BOLSPPQIPMXQLA-UHFFFAOYSA-N 304.390 1.425 10 10 DDCE O=C(O)[C@]1(Sc2nccs2)C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2351990909 ODITXZIBSAPSTF-VROVMSAKSA-N 319.429 1.513 10 10 DDCE Nc1ccc(N(C(=O)C(=O)NCCCO)c2ccccc2)cc1 170385083 GQDKZPMHMCGWAI-UHFFFAOYSA-N 313.357 1.432 10 10 DDCE Cc1nc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)no1 302204537 WLQBSRSPSRQIAF-UHFFFAOYSA-N 319.277 1.254 10 10 DDCE CN(C)c1ccc(/C=C\c2[nH]c(N)nc(=O)c2[N+](=O)[O-])cc1 33921584 VYBUYOCETLSRCP-YVMONPNESA-N 301.306 1.497 10 10 DDCE CN(C)c1ccc(/C=C2/SC(=S)N(CCO)C2=O)cc1 210387138 YGHANUFNTWVVRD-FMIVXFBMSA-N 308.428 1.946 10 10 DDCE C[C@@H](NN(C)S(=O)(=O)C1CCC1)c1ccc(F)cc1O 2365275396 RLRLXNKMJMTTNK-SECBINFHSA-N 302.371 1.911 10 10 DDCE C[C@@H](N)c1ccc(N2CCOC[C@H]2CO)cc1Br 235218669 BFMQXFHIFLLWTK-MWLCHTKSSA-N 315.211 1.666 10 10 DDCE CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc(C)c(O)c3O)[C@@H]2C1 374724974 CCYAXWYZOKRYPW-MRVWCRGKSA-N 321.373 1.815 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1csc(-n2c(C)ccc2C)n1 808505101 SAJXRXLKUCKBMS-UHFFFAOYSA-N 320.370 1.794 10 10 DDCE CCN(CC)c1ccc(CN2CC3(CNC(=O)O3)C2)cc1F 817416962 LWENYRWVGNFKOO-UHFFFAOYSA-N 307.369 1.966 10 10 DDCE Nc1ccc(CC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 829376244 NBCYXPWNYUPQLX-OAHLLOKOSA-N 315.417 1.672 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C(=O)O)cnn1C 901605259 QDTGTFJSLNLFGZ-UHFFFAOYSA-N 316.361 1.457 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@H]2CCCS2(=O)=O)cc1 835041884 OUBLPCAJWXBJID-OICCZTGUSA-N 308.447 1.933 10 10 DDCE CCOc1cc(O)ccc1NS(=O)(=O)CC(C)(C)OC 840914121 OVPXXJROIMYYPQ-UHFFFAOYSA-N 303.380 1.958 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 855224018 JVAOWJCWLRAASC-LERXQTSPSA-N 305.334 1.055 10 10 DDCE COC(=O)C[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 855909700 MBNOZBVHCMQFAI-LPZVBRGNSA-N 319.357 1.817 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CC2CC1(CN)C2 851656921 SELLQFUBKCBVEV-UHFFFAOYSA-N 302.422 1.694 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)n3cncn3)C2)cc1 855233525 IBZAZYGYJCDRHG-STQMWFEESA-N 315.377 1.243 10 10 DDCE CCc1nc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)no1 853817210 AFPMLEIXERCQGR-NSHDSACASA-N 316.361 1.649 10 10 DDCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(CO)C1 860768810 SVQFEWUFEZKKEN-UHFFFAOYSA-N 312.369 1.971 10 10 DDCE Cc1cc(Br)c(O)c(CNC[C@@H](O)[C@@H](C)O)c1 865739255 OOIXQDNJJDLPSB-LDYMZIIASA-N 304.184 1.294 10 10 DDCE O=C(c1cnc2n(c1=O)CCS2)N1Cc2cccc(O)c2C1 871199351 XFUCSTGPDLBQSE-UHFFFAOYSA-N 315.354 1.211 10 10 DDCE Cc1csc(=O)n1CCC(=O)N1Cc2cccc(O)c2C1 871197447 ATZZYGRFJBCTCN-UHFFFAOYSA-N 304.371 1.856 10 10 DDCE C[C@@H](NC(=O)[C@@H](O)C1CCOCC1)c1ccc(N(C)C)cc1 775403199 HKJSZRWIZITHGR-WBMJQRKESA-N 306.406 1.717 10 10 DDCE Cn1cc(Br)c(CS(=O)(=O)CCN=[N+]=[N-])n1 1902048882 DQSMNIWFRLUVJH-UHFFFAOYSA-N 308.161 1.408 10 10 DDCE CCCCCS(=O)(=O)CC(=O)NCc1cc(O)ccc1O 1303223193 DWHVIWYMTKBXDT-UHFFFAOYSA-N 315.391 1.319 10 10 DDCE O=C(NCc1c(O)cccc1O)c1n[nH]cc1Br 1304053112 COFOKRBYEXTBFW-UHFFFAOYSA-N 312.123 1.513 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2nonc2C)cc1C 1317292639 ZIEMXDQLDBWXKH-LLVKDONJSA-N 318.377 1.603 10 10 DDCE O=C(C(=O)N1CCC[C@H](CCF)C1)N1Cc2cccc(O)c2C1 1335637298 WATJQDPQVFKOBW-GFCCVEGCSA-N 320.364 1.833 10 10 DDCE COc1ccn2c(C(=O)NCc3cc(O)ccc3O)cnc2c1 1455350714 CINPYNYYJZEAFL-UHFFFAOYSA-N 313.313 1.684 10 10 DDCE CN(CC(=O)NCc1c(O)cccc1O)C(=O)c1cccs1 1456235859 PAXFWFQAHURQKC-UHFFFAOYSA-N 320.370 1.548 10 10 DDCE CC(C)CC(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1626009197 RQPNABZDHFRUJI-UHFFFAOYSA-N 320.389 1.357 10 10 DDCE NC(=O)CN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 1633325980 SKXSESUPQMMTIF-UHFFFAOYSA-N 314.341 1.154 10 10 DDCE O=C(Cc1ccc(O)c(F)c1)NCCc1ccc(O)c(O)c1 1595753401 ZICKLILMCIVRBF-UHFFFAOYSA-N 305.305 1.844 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(Cn2cncn2)cc1 1595389859 OJPLEPABMLKPHP-UHFFFAOYSA-N 324.340 1.919 10 10 DDCE COC(=O)C1=C(C)NC(=O)/C1=C/c1cccc(OC)c1OC 5824244 WTDMCNXHWZDIAL-DHZHZOJOSA-N 303.314 1.664 10 10 DDCE CC(C)(C)NC(=O)NS(=O)(=O)CCOc1ccc(N)cc1 158826565 LWORHGHIAPRHFR-UHFFFAOYSA-N 315.395 1.075 10 10 DDCE C[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)CCS1(=O)=O 160224797 HWYXPCFCLLNVLE-GFCCVEGCSA-N 309.431 1.890 10 10 DDCE CCN1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CC1 31907599 PMLJUZZHEBZXEX-GQCTYLIASA-N 305.334 1.835 10 10 DDCE Cc1noc2ncn(CCCOc3ccc(N)cc3)c(=O)c12 586032548 PWNNYBCDMWFWCD-UHFFFAOYSA-N 300.318 1.744 10 10 DDCE [N-]=[N+]=NC1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 1912179129 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10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@]3(CCCNC3)C2)c1O 843119357 ZNBKVTVPFTXBDW-INIZCTEOSA-N 321.377 1.885 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC2(CC1)COCCO2 922567312 PZJIZJPGJPQEOM-RQOWECAXSA-N 319.357 1.519 10 10 DDCE COc1ccc(N2CC[C@@H](N[C@@H](C)c3cnn(C)n3)C2)cc1 926680797 RSDUGTTYPRINKD-QWHCGFSZSA-N 301.394 1.753 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)C(C)(C)O)C2)cc1 854299750 KXVOVLAHJMBQRX-CHWSQXEVSA-N 321.421 1.733 10 10 DDCE COc1ccc(N2CC[C@@H](N[C@@H]3C(=O)NCC3(C)C)C2)cc1 926679851 HOUVSRWJHAIKDA-IUODEOHRSA-N 303.406 1.388 10 10 DDCE CSC[C@H]1NC(=O)N(Cc2ccc(N(C)C)cc2C)C1=O 924672952 RSFHKOBIFHSOSL-CYBMUJFWSA-N 307.419 1.844 10 10 DDCE C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cc([N+](=O)[O-])ccc1O 756733466 ROPSFSIKOWGVJT-DYNIEEOBSA-N 319.361 1.960 10 10 DDCE CCOc1ccc(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)c(O)c1 854241540 OPWXTHOLXCUJJX-MLGOLLRUSA-N 307.346 1.324 10 10 DDCE COc1ncc(CCNC(=O)c2ccc(C)c(O)c2O)cn1 863445034 RWUVNKYYHSEJGY-UHFFFAOYSA-N 303.318 1.177 10 10 DDCE CS(=O)(=O)C1(C(=O)N2Cc3cccc(O)c3C2)CCCC1 871200738 HWLYVKPFKSLUCS-UHFFFAOYSA-N 309.387 1.592 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1[C@H]2OCCC[C@@H]21 780395896 AHCZWTUSMAENCA-ZACQAIPSSA-N 316.401 1.564 10 10 DDCE CN(C)c1ccc(/C=C\CN2CC(O)(c3ncnn3C)C2)cc1 895618554 KJXCFARAKQWFSD-PLNGDYQASA-N 313.405 1.098 10 10 DDCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H](C(F)(F)F)O1 1136982179 ICFADBXDHSNFKH-PELKAZGASA-N 319.279 1.819 10 10 DDCE C[C@H](NCCC1CS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1O 786946434 SZXIGIDIVKLDIU-VIFPVBQESA-N 314.363 1.386 10 10 DDCE COC(=O)c1c(CNCC2(CO)CC2)c2cc(F)ccc2n1C 894325249 QGKKEOBDMDDOFD-UHFFFAOYSA-N 320.364 1.966 10 10 DDCE COc1cc(C)cc(CNC[C@@]23COCCN2C(=O)OC3)c1O 895455338 WGGUCYJHVLJNBU-INIZCTEOSA-N 322.361 1.020 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(NC2CCC2)CC1 1304698240 WJJWUTDUSJCMKY-UHFFFAOYSA-N 304.390 1.773 10 10 DDCE Cc1ccc(O)c(CNS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1331365896 WYCILFPBVWBGOT-VXGBXAGGSA-N 314.407 1.144 10 10 DDCE C[C@@H](C(=O)NCc1cccc(O)c1O)N(C)CC(F)(F)F 1347234426 NZPYOOYABPLNOP-QMMMGPOBSA-N 306.284 1.597 10 10 DDCE Cn1c(=O)oc2ccc(CNC(=O)c3cccc(O)c3O)cc21 1454596859 HXYKFDKWKRXXDS-UHFFFAOYSA-N 314.297 1.473 10 10 DDCE OCC1(O)CC(NCc2c(O)cccc2Br)C1 2248624287 BKCTZZDOGSDBDS-UHFFFAOYSA-N 302.168 1.130 10 10 DDCE Cc1nnc(O)c(C(=O)NCc2ccc3cccnc3c2O)c1C 1630526041 BFYBSQYFWKSYBI-UHFFFAOYSA-N 324.340 1.983 10 10 DDCE COC(=O)c1cnc([C@@H](C)NC(=O)c2cccc(O)c2O)s1 1639557764 XQKGOVMYYWKMGA-SSDOTTSWSA-N 322.342 1.832 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H](CO)C[C@@H]2CCCO2)cc1 1645516872 UZGMJWYSRHARLJ-OLZOCXBDSA-N 320.349 1.509 10 10 DDCE CN(Cc1coc(S(N)(=O)=O)c1)c1ccc2c(c1)OCO2 1657830070 MGCDGYYJUDTEKR-UHFFFAOYSA-N 310.331 1.292 10 10 DDCE Cc1cc(CN2CC[C@H]3OCC(=O)N[C@@H]3C2)ccc1N(C)C 1653809206 PNAFZMBBUPTIQQ-GDBMZVCRSA-N 303.406 1.150 10 10 DDCE Cc1ccc(O)c(CNCC(=O)N2CCC[C@@H](C(=O)O)C2)c1 1857867813 CQDIPRHMMFFARC-GFCCVEGCSA-N 306.362 1.113 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N(CCO)CC(F)F)c(Cl)cc21 231323109 MSCFGDPUAYKRND-NSHDSACASA-N 305.712 1.356 10 10 DDCE CC(C)(C)OC(=O)NC1(CNCc2ccc(O)c(O)c2)COC1 1938387206 YVOQENMGLOJWQK-UHFFFAOYSA-N 324.377 1.481 10 10 DDCE O=S1(=O)CCN(c2ccc(CNC3CC3)c(Cl)c2)CC1 236042635 UADNPFLLZGSFTN-UHFFFAOYSA-N 314.838 1.827 10 10 DDCE COc1cc([C@H](NC(=O)OC(C)(C)C)C(=O)O)cc(O)c1O 1951474811 HNZRWDWKBYIKLA-JTQLQIEISA-N 313.306 1.757 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NC(=O)Cc1ccc(N)cc1 1984418509 KIRBWXSEESDTTQ-GXTWGEPZSA-N 319.405 1.841 10 10 DDCE Cc1cccc(CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1O 1994457274 YEZFHTQDILHHJJ-LBPRGKRZSA-N 324.377 1.202 10 10 DDCE C[S@](=O)C[C@H](NCc1ccc(O)c(O)c1O)C(C)(C)C 2158657097 MJBFKSQDAULCIW-YBTHPKLGSA-N 301.408 1.686 10 10 DDCE Nc1ccc(OCCC(=O)N2CCCC3(C2)OCCO3)cc1 316581368 CSXNVSDYOVRCPN-UHFFFAOYSA-N 306.362 1.403 10 10 DDCE C[C@]1(Br)C[C@@H]1C(=O)NCc1c(O)cc(O)cc1O 2065057458 SYRUAFULHKJJIE-PELKAZGASA-N 316.151 1.593 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@H](O)C[C@@H](O)C2)cc1Br 2043185559 XBNRLGMKWDCSGI-FBIMIBRVSA-N 316.195 1.434 10 10 DDCE C[C@@H](O)c1ccc(N2CCC2(CO)CO)c(Br)c1 2073921485 PPURSOCLUQTDOG-SECBINFHSA-N 316.195 1.436 10 10 DDCE NCc1ccc(N2[C@H]3CC[C@H]2CC(=O)NC3)c(Br)c1 2114133985 MFTXYOQPLKQDAH-QWRGUYRKSA-N 324.222 1.765 10 10 DDCE CSc1ncc(CN=c2cc(C(F)F)nc(NN)[nH]2)s1 2284722186 LQGVKNNJIWMSQC-UHFFFAOYSA-N 318.378 1.912 10 10 DDCE Cc1ccc(CN(C)C(=O)/C=C/CN)c(O)c1Br 2327790075 RCUZTPUZQAOUGW-ONEGZZNKSA-N 313.195 1.936 10 10 DDCE C[C@H](O)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1Cl 2336344635 GIECTQXPMTZWAB-IGJMFERPSA-N 301.795 1.627 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCN[C@H](C)C2)s1 2345181153 NKEOAOQHQWUKAM-PRHODGIISA-N 301.437 1.550 10 10 DDCE Cc1nc2c(C(=O)NCc3ccco3)cnn2c(O)c1Cl 8661970 GRPIKHLIOHZPHQ-UHFFFAOYSA-N 306.709 1.920 10 10 DDCE C[C@@H](N)c1ccc(N2CCNC(=O)[C@H]2C)c(Br)c1 104137909 YDHHTBHSTFRLRF-RKDXNWHRSA-N 312.211 1.794 10 10 DDCE COc1ccc(O)c(CNC(=O)Nc2ccc(=O)n(C)c2)c1 172019380 XPTORXAMOMZSTO-UHFFFAOYSA-N 303.318 1.421 10 10 DDCE Cc1ncsc1C(=O)N(CC(N)=O)Cc1ccc(N)cc1 35366551 CJFPKHOVCUDFNC-UHFFFAOYSA-N 304.375 1.161 10 10 DDCE CC(C)(O)CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 75237265 BSGFKTPNUNUGSX-VMPITWQZSA-N 304.390 1.424 10 10 DDCE COc1cc(Cl)c(N2C[C@@H](O)C[C@H](OC)C2)c(OC)c1 2368107221 WOIXCUCNXMBOEQ-ONGXEEELSA-N 301.770 1.943 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3CCCOC3)CC2)cc1 82320311 GICHSYCOCWWGNA-AWEZNQCLSA-N 304.390 1.770 10 10 DDCE Cc1cnn(C[C@H]2CN(C(=O)c3cccc(O)c3O)CCO2)c1 193065148 SWZGTMRLCLCAGZ-GFCCVEGCSA-N 317.345 1.144 10 10 DDCE CN(C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(CN)cc1 93695958 ZGWJOXSWTORMCZ-CQSZACIVSA-N 311.451 1.253 10 10 DDCE O=[N+]([O-])c1cc(I)cc([C@H]2CCN2)c1O 238715311 CLGJJJRLYOJBQX-SSDOTTSWSA-N 320.086 1.939 10 10 DDCE COc1ccc(CCNCc2cc3c(cc2O)OCO3)cn1 527792547 CDTFAJWCRLHHBQ-UHFFFAOYSA-N 302.330 1.857 10 10 DDCE CC(=O)C(=O)COc1ccc(Cl)cc1S(=O)(=O)N(C)C 808036890 RCLREOMKEHKUSN-UHFFFAOYSA-N 319.766 1.127 10 10 DDCE CC(=O)C(=O)COC(=O)C1(c2cccc(F)c2)CCOCC1 808508676 BAOCIESQNHICIX-UHFFFAOYSA-N 308.305 1.575 10 10 DDCE C[C@H]1C[C@@H](S(=O)(=O)NCc2ccc(N(C)C)cc2)CCO1 295679448 CCMUTIDWYPNCBB-WFASDCNBSA-N 312.435 1.740 10 10 DDCE CO[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCOC1 832436157 HLTLOVHASQBVPQ-XPKDYRNWSA-N 306.406 1.981 10 10 DDCE COC(=O)[C@@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 849322264 QCHKHXUNBKBICG-CJNGLKHVSA-N 304.390 1.815 10 10 DDCE COCCN1C(=O)C2(CC2)N[C@@H]1c1ccc2c(c1)CCCN2C 840837360 REDQODPRFNAHBD-INIZCTEOSA-N 315.417 1.678 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CN(C2CC2)C(=O)O1 848363530 HDWMQOPRFPJWSI-QSLRECBCSA-N 318.329 1.210 10 10 DDCE Cn1cc(/C=C/C(=O)N2C[C@H](CO)Cc3cccc(F)c32)cn1 911691270 CEKDETBBTSKSHR-URWSZGRFSA-N 315.348 1.770 10 10 DDCE Nc1ccc(CCNC(=O)N[C@@H](CO)c2ccsc2)cc1 841959256 LLMBDKHIIMYREO-AWEZNQCLSA-N 305.403 1.906 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)cc1 843261546 MAJCCANXYYJJCO-KCQAQPDRSA-N 301.390 1.232 10 10 DDCE C[C@@]1([C@H]2CCCN(C(=O)c3cc(O)cs3)C2)COC(=O)N1 928023177 YSEQRYKUUXRESP-XPTSAGLGSA-N 310.375 1.804 10 10 DDCE CC[C@H](O)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854298117 VYQFKHGEIYRPLM-OCCSQVGLSA-N 307.394 1.344 10 10 DDCE O=C(NCc1ccc(N2CCSCC2)cc1)NCC1COC1 858154659 OIADOMUTLJOAQU-UHFFFAOYSA-N 321.446 1.685 10 10 DDCE CCn1ncc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 855226687 PVWMGCYZPDFISI-LBPRGKRZSA-N 315.377 1.315 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CCC(=O)N(C)C2)c1 756595397 SRGUEFYMWVWYDB-CMPLNLGQSA-N 306.362 1.450 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@]1(CCO)CCOC1 779533580 JVJUNXPZSQJSAI-ZENLRNHISA-N 307.346 1.016 10 10 DDCE COCCN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCOC1 782974979 AZCRAUOIGHQPAU-WFASDCNBSA-N 309.362 1.055 10 10 DDCE NCc1ccc(N2C[C@H](O)C[C@@H](F)C2)c(Br)c1 2213904216 RBZDHRCKKXUMDV-NXEZZACHSA-N 303.175 1.817 10 10 DDCE COC(=O)[C@@](C)(O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 788018918 GSOKGQOKQLWYSD-YOEHRIQHSA-N 323.389 1.297 10 10 DDCE O=S1(=O)CC(C2CN(Cc3cc(F)cc(F)c3O)C2)C1 895423776 DRABZSQSYZCAGX-UHFFFAOYSA-N 303.330 1.147 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@](CO)(C(F)(F)F)C1 1154492759 PDLRYWNQYUVQOL-ZDUSSCGKSA-N 319.279 1.414 10 10 DDCE O=C(NCc1c(O)ccc2ccccc12)c1ccn2nnnc2c1 1179032289 DOYALNYQKBAGSF-UHFFFAOYSA-N 319.324 1.913 10 10 DDCE CCN(C)c1ccc(CN2CCCN(CC(=O)NC)CC2)cc1 1176304906 TZLKMEJTFSDNOD-UHFFFAOYSA-N 318.465 1.396 10 10 DDCE O=C(O)c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)c(O)c1 224845011 FYCNJYATJZEVOX-UHFFFAOYSA-N 305.242 1.460 10 10 DDCE O=C(Cn1c(O)nc2ccccc21)NCc1ccc(O)cc1O 1638352213 MCXXLBUZINLZJH-UHFFFAOYSA-N 313.313 1.470 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCS[C@H]2COCC[C@H]21 1596068811 QHLNZWNDYSCIRX-RISCZKNCSA-N 309.387 1.373 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2n[nH]cc2C)cc1C 1691315236 ZLBMBQAOJNBAGD-UHFFFAOYSA-N 316.405 1.897 10 10 DDCE CN(C)CCCN1C(=O)Cc2cc(N(C)CC(=O)O)ccc21 259374883 GSKZQACGCAJEDP-UHFFFAOYSA-N 305.378 1.048 10 10 DDCE Oc1ccc(Br)cc1CN1CCOC2(CNC2)C1 853249991 XKIILBQWRVPBFX-UHFFFAOYSA-N 313.195 1.329 10 10 DDCE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(c2ccc(N)cc2)C1 1977933190 BWKCGCNEGNTJPL-INIZCTEOSA-N 321.377 1.827 10 10 DDCE CCOC(=O)CCCS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])C1 2178729528 MVKMRUGXKYXCEV-SNVBAGLBSA-N 304.372 1.434 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC(=O)NC1=O 2062767987 GZWBOCJYETUEJD-SNVBAGLBSA-N 317.370 1.301 10 10 DDCE CCN1CCC(CNC(=O)c2cnn3c(O)cc(C)nc23)CC1 2063891683 YGPNUVWLKJCKMU-UHFFFAOYSA-N 317.393 1.205 10 10 DDCE COc1cccc(O)c1CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O 2170637608 VFVNDBVPGOYIFC-GHMZBOCLSA-N 301.408 1.654 10 10 DDCE C[C@@H](O)c1cc(F)c(N2CC[C@@H](S(C)(=O)=O)C2)c(F)c1 2194512052 LLLUJYSSMYXXHY-PSASIEDQSA-N 305.346 1.641 10 10 DDCE CN(C(=O)OC(C)(C)C)C1(CCOc2nnc(=N)[nH]n2)CCC1 2210644307 OLLKYAREUINHNC-UHFFFAOYSA-N 324.385 1.238 10 10 DDCE O=C(O)[C@]1(CO)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 2201094544 SBHBPQGTLBPNOJ-CYBMUJFWSA-N 320.172 1.968 10 10 DDCE CSc1ncc(CNC(=O)CSC2CCNCC2)s1 2269202336 PTPIWIBQZYXWJD-UHFFFAOYSA-N 317.505 1.966 10 10 DDCE Cc1cc(N2CCSC[C@H]2S(C)(=O)=O)ccc1[C@H](C)O 2285150614 MZANSYUERNVMDF-SMDDNHRTSA-N 315.460 1.972 10 10 DDCE COC[C@H](O)CN(C)Cc1ccc(C)c(Br)c1O 2327608735 WTZLIBAYDDFVLB-LLVKDONJSA-N 318.211 1.902 10 10 DDCE CC(C)(C)c1ncncc1CNC(=O)c1cc(O)c(O)c(O)c1 170190650 SNXCGGBZMBWXAO-UHFFFAOYSA-N 317.345 1.821 10 10 DDCE COc1cccc(CNC(=O)Cc2cn3ccsc3n2)c1O 105652679 MRRSIXQMDBKKKH-UHFFFAOYSA-N 317.370 1.969 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NCc1ncnn1C 74912878 ZCCSPQUHFMNCIN-UHFFFAOYSA-N 303.366 1.643 10 10 DDCE CS(=O)(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cn1 37008350 YIHRGMXTLORAAQ-UHFFFAOYSA-N 305.359 1.249 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 249975131 BLLBSLXLIWSIQJ-SLEUVZQESA-N 310.419 1.756 10 10 DDCE COc1ccc(OC)c([C@H]2C[C@H]2C(=O)OCC(=O)C(C)=O)c1 808539997 NMEKMHGZMCUEMJ-DGCLKSJQSA-N 306.314 1.509 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]12CCCN(CC1)C2 907271676 BTJADXAIHWPBMA-PXAZEXFGSA-N 304.390 1.631 10 10 DDCE COc1ccc(O)c(CN[C@@H](C)CN(C)CCCN(C)C)c1 826901620 ANPHAHSLSMWRJT-AWEZNQCLSA-N 309.454 1.762 10 10 DDCE CN(C)c1ccc(CNc2nccc(S(C)(=O)=O)n2)cc1 911651178 CDTRABXXHZWVMX-UHFFFAOYSA-N 306.391 1.558 10 10 DDCE C[C@@H]1CNCC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 841759747 IBAXRNBBEAHKJV-RISCZKNCSA-N 308.401 1.689 10 10 DDCE C[C@H](N)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 842001643 ANCFTPSONCXAKP-UONOGXRCSA-N 320.437 1.400 10 10 DDCE CC(C)[C@H](C)OC(=O)c1cc(NS(C)(=O)=O)ccc1O 849712971 UKGYCVFZJCPUCZ-VIFPVBQESA-N 301.364 1.965 10 10 DDCE CCC[C@@H](C)[C@@H](CO)NCC(=O)NCc1ccc(N(C)C)cc1 844380369 SWMAVBYTTRZKMM-RHSMWYFYSA-N 321.465 1.756 10 10 DDCE CCN(CCC(N)=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 922053544 DPZJIBNUNOGCPQ-LBPRGKRZSA-N 306.410 1.721 10 10 DDCE Cc1nn(C)c(C)c1CNC(=O)NCc1c(O)cccc1F 920891468 PBTTWKZDTDFYRH-UHFFFAOYSA-N 306.341 1.881 10 10 DDCE C[C@H]1C[C@H](S(=O)(=O)NCc2c(O)cccc2F)CCO1 921452390 NMRZJHRNYIKIMP-VHSXEESVSA-N 303.355 1.518 10 10 DDCE CN(C)CCC[C@H]1CN(C(=O)c2cccc(O)c2O)CCO1 856430580 ZBHWHSLADSIBBL-LBPRGKRZSA-N 308.378 1.281 10 10 DDCE CC[C@H](COC)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852133585 HCPVIYWMVDDFSX-ZIAGYGMSSA-N 321.421 1.998 10 10 DDCE C[C@]1(C2CCN(C(=O)c3cccc(O)c3O)CC2)COC(=O)N1 928164796 TYXMEOJQOQDJJI-MRXNPFEDSA-N 320.345 1.449 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C[C@H](C)N)C2)cc1 851668822 YTYBWZHQKMJCHW-IHRRRGAJSA-N 320.437 1.699 10 10 DDCE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)c1cccc(O)c1O 862997990 SYHIJADBFSBYKB-JQWIXIFHSA-N 323.345 1.186 10 10 DDCE O=C1OC[C@H]2CN(Cc3cc(Cl)cc([N+](=O)[O-])c3O)C[C@@H]12 862545350 PWFOSLYMQMMANB-PSASIEDQSA-N 312.709 1.559 10 10 DDCE CC(=O)c1cc(F)cc(Cn2cc(C(=O)OC(C)C)nn2)c1O 880995785 HABCTBFCFRYEHU-UHFFFAOYSA-N 321.308 1.939 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccc2c(O)ncnc2c1 1303194451 BWZCPSKBVVFEJJ-UHFFFAOYSA-N 311.297 1.677 10 10 DDCE O=C1NC(C(=O)O)=C(Cl)[C@H](c2cc(Cl)ccc2O)N1 76255786 QQBBMUSNTMCWCF-QMMMGPOBSA-N 303.101 1.935 10 10 DDCE CCN(Cc1ccc(F)c(F)c1O)[C@@H]1CCS(=O)(=O)C1 703447481 KXHUQWIFWPGNIK-SNVBAGLBSA-N 305.346 1.679 10 10 DDCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CC1(C)C 1324136526 PXXVRVXNDVVFKF-RYUDHWBXSA-N 321.373 1.734 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2n[nH]cc2C)cc1C 1321511601 RPOWVDCDXZETAP-CYBMUJFWSA-N 316.405 1.943 10 10 DDCE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@@H](CN=[N+]=[N-])C(N)=O 698402727 AKOLHGKXGGMAIC-UWVGGRQHSA-N 313.358 1.567 10 10 DDCE CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)cc1 1261579768 YCYJODAMHJPLDW-IPYPFGDCSA-N 319.405 1.370 10 10 DDCE COc1ncc(/C=C\C(=O)NCc2ccc(O)cc2O)cn1 1451757038 LCSYQFFZMSJXKT-DJWKRKHSSA-N 301.302 1.226 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)nc(N)nc2C)c1 1294937374 OIHLEWPJTPRNGG-MRVPVSSYSA-N 316.361 1.881 10 10 DDCE CN(C)c1ccc(CNC(=O)/C=C/c2ccc(C(N)=O)o2)cc1 1524861677 NEYGSTLRLRZCPL-CSKARUKUSA-N 313.357 1.774 10 10 DDCE Cc1nc([C@H]2CCN(C(=O)c3c(F)ccc(O)c3O)C2)n[nH]1 1611446544 DLLSBGWRWBYQOG-QMMMGPOBSA-N 306.297 1.293 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1c[nH]nc1[C@@H]1CCCO1 1622753048 DKDVCZBLYUQOTR-AWEZNQCLSA-N 317.345 1.645 10 10 DDCE C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)N1CCCCC1=O 1625527327 TVOQMXXORRNDOV-LLVKDONJSA-N 306.362 1.158 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc2ccnn12 1638347027 AUBDYXBXKQESNG-JTQLQIEISA-N 312.329 1.502 10 10 DDCE CC(C)(C)OC(=O)NOCC(=O)NCc1ccc(O)c(O)c1 1595596054 PHBQKNOVFDPNGW-UHFFFAOYSA-N 312.322 1.170 10 10 DDCE COc1ccc(Br)c(CNCCN(C)OC)c1O 1964586551 CCCJUWZSCTVPNY-UHFFFAOYSA-N 319.199 1.746 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@H]2CCS(=O)(=O)C2)cc1Cl 251602409 ZLWRGGPHUVAYLB-ONGXEEELSA-N 302.827 1.983 10 10 DDCE CN([C@H]1CCN(c2ccc(CO)cc2Cl)C1)S(C)(=O)=O 2146922693 GNBUURCZRXHUAA-NSHDSACASA-N 318.826 1.302 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@H]1c1c(O)cc(O)cc1O 1952457536 RMFMSHUBNCGITD-WPRPVWTQSA-N 310.350 1.813 10 10 DDCE NC(=O)N1CC[C@@H](NCc2c(O)cccc2Br)C1 706883679 VRRRVTMJZBALES-MRVPVSSYSA-N 314.183 1.397 10 10 DDCE C[C@@H](CNCc1cc(Br)ccc1O)c1nn[nH]n1 392569393 AXPGUEFFGCUFIV-ZETCQYMHSA-N 312.171 1.561 10 10 DDCE CCn1ncc(C)c1NC(=O)c1cnn2c(O)cc(C)nc12 2064815698 DJBVTTVUDZLTOQ-UHFFFAOYSA-N 300.322 1.520 10 10 DDCE C[C@H](NCc1cc(Cl)cc(F)c1O)[C@@H]1CN(C)CCN1C 1561016176 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COC(=O)[C@@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 124774815 RLKYGXLKEAXAAO-INIZCTEOSA-N 304.390 1.661 10 10 DDCE CC[C@@H]1CN(Cc2cc(OC)ccc2O)CCN1C[C@@H](C)O 180085449 PAAXFQWFFALNLU-UKRRQHHQSA-N 308.422 1.678 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(CC(=O)O)c(CC)s1 2365283618 URCOKSQOPFPQIV-UHFFFAOYSA-N 321.424 1.331 10 10 DDCE COc1ccc(O)c([C@@H](C)NCC2CCS(=O)(=O)CC2)c1 182424464 IQBPCWUQVWRUNL-LLVKDONJSA-N 313.419 1.876 10 10 DDCE Cc1ccc([C@@H](C)Nc2cnn(CC(=O)NCCO)c2)c(O)c1 186508259 BMSUWDCTQJZYAV-GFCCVEGCSA-N 318.377 1.179 10 10 DDCE O=C(CN1C(=O)CSC1=S)Nc1ccc(F)c(F)c1F 82338998 AHEUBQYSWUWVTF-UHFFFAOYSA-N 320.317 1.903 10 10 DDCE CCN1CCN(CC(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 88360175 XZSRVJXZEUPINB-ZDUSSCGKSA-N 321.421 1.216 10 10 DDCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCc1cccs1 40458475 IWUWTKREFSEASK-LBPRGKRZSA-N 306.387 1.388 10 10 DDCE CN(C)C(=O)CN(C)c1ccc(CN)c(Br)c1 228147740 WNDIHCCTIWDILO-UHFFFAOYSA-N 300.200 1.432 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC(C(N)=O)CC1 96785382 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COc1ccc(N2CC[C@H](N[C@@H](C)c3cnnn3C)C2)cc1 926680467 ORRXQTHXFYOQMH-STQMWFEESA-N 301.394 1.753 10 10 DDCE CC(C)(C)OC(=O)NOCC(=O)NCc1c(O)cccc1F 928709858 MOUQUJZDNCELDS-UHFFFAOYSA-N 314.313 1.604 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cccc[n+]3[O-])C2)cc1 855231379 KGYWBRGEAYDWFQ-ZDUSSCGKSA-N 313.357 1.337 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)C[C@H]2CCC2(F)F)c1 866848225 FSHQSZVDDMDVQQ-SNVBAGLBSA-N 321.345 1.866 10 10 DDCE C[C@H](NS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1O 867836104 GAOVHJXPPREZKL-CMPLNLGQSA-N 324.402 1.136 10 10 DDCE CNC(=O)CCOC1CCN(Cc2cc(OC)ccc2O)CC1 775736720 IVKJEKWLOSTIPE-UHFFFAOYSA-N 322.405 1.518 10 10 DDCE C[C@H](Cn1cncn1)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 773275448 FFAXJQISLTUGPJ-CHWSQXEVSA-N 316.409 1.793 10 10 DDCE CCOc1ccc(O)c(CN[C@H]2C(=O)NCC23CCOCC3)c1 895772989 NWLTWAZYGGFRHD-HNNXBMFYSA-N 320.389 1.176 10 10 DDCE CNC(=O)[C@]1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1156084623 NIZKONXYUMUGDY-OAHLLOKOSA-N 317.349 1.447 10 10 DDCE CS(=O)(=O)c1cccc(CNC(=O)c2cc(O)cs2)c1 1158058803 XEIBOVFFJGIMDC-UHFFFAOYSA-N 311.384 1.787 10 10 DDCE C[C@@H](NC(=O)NCc1nc(C(N)=O)cs1)c1ccccc1O 1313031520 RTJIBFVLYZBECB-MRVPVSSYSA-N 320.374 1.508 10 10 DDCE NCc1ccc(N2CCC3(C2)OCCO3)c(Br)c1 396608914 YBJNUISKNFSICA-UHFFFAOYSA-N 313.195 1.861 10 10 DDCE CNCc1ccc(N(C)[C@@H]2COC[C@H]2O)c(Br)c1 708057363 UVUBIUJIPKXJJZ-CHWSQXEVSA-N 315.211 1.364 10 10 DDCE NCc1ccc(N2CC[C@]3(CCCS3(=O)=O)C2)c(Cl)c1 709575870 RCTBKSAJPFZEDO-CQSZACIVSA-N 314.838 1.956 10 10 DDCE C[C@H]1CCC[C@H](CNC(=O)C(=O)N(C)Cc2ccccc2O)O1 1330772268 MBBNKZLFKFFMBW-GXTWGEPZSA-N 320.389 1.424 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)CN(C)[C@@H]2CCC[C@H]2O)c1 1294938074 VEPWDZKCUXFLDN-DJSGYFEHSA-N 322.405 1.423 10 10 DDCE Cc1ccn2cc(CNC(=O)Cc3ccc(O)c(O)c3)nc2c1 1625419791 AWCUXOBFXVJHEJ-UHFFFAOYSA-N 311.341 1.913 10 10 DDCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nn2ccnn2)c1 1624637007 AGMGYABINJTKLQ-UHFFFAOYSA-N 309.329 1.882 10 10 DDCE O=C1COc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc2N1 1632703991 UKKIZMMSKYGRQA-UHFFFAOYSA-N 310.309 1.879 10 10 DDCE C[C@@H]1[C@@H](C)N(C(=O)Cc2ccc(O)c(O)c2)[C@H](C)C(=O)N1C 1631462473 JGPFEMTZGYGYNP-GMTAPVOTSA-N 306.362 1.106 10 10 DDCE CCn1cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)nn1 1641053184 ZGNZZEFFMRACJB-UHFFFAOYSA-N 318.358 1.854 10 10 DDCE C[C@H]1CCCN(C[C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)C1 1597466997 JFSNZTAXTQYOFV-QWHCGFSZSA-N 306.406 1.877 10 10 DDCE C[C@H](NC(=O)NCc1nnc(O)n1C1CC1)c1ccccc1O 1675469087 JKHFNXLEEDEFDN-VIFPVBQESA-N 317.349 1.585 10 10 DDCE CS(=O)(=O)NC1CCN(Cc2c(O)cccc2F)CC1 1964544419 FZBQDWFYWVXOAO-UHFFFAOYSA-N 302.371 1.045 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC(=O)N(C)C1 162952708 ZMIMPRKIPUBRPV-CQSZACIVSA-N 319.405 1.935 10 10 DDCE CN(Cc1ccc(N)cc1)c1nc[nH]c(=O)c1Br 164553021 PVLYOJPJWRFPHX-UHFFFAOYSA-N 309.167 1.751 10 10 DDCE Nc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H](O)CN3)cc2)cc1 1866040735 WAEQICODULKERV-BBRMVZONSA-N 313.357 1.722 10 10 DDCE CN(C)[C@@H]1COC[C@H]1Nc1c(N)cccc1Br 1922059451 GXGAVTVLFPCWAP-GHMZBOCLSA-N 300.200 1.772 10 10 DDCE O=S1(=O)CC[C@@H]1CNCc1cc(Br)ccc1O 1945533531 SPXRXOAYBLPLTO-SNVBAGLBSA-N 320.208 1.431 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CCc1cc(O)nc(O)c1)C(=O)O 1951873049 QFUPBRZXEIWCIC-SECBINFHSA-N 312.322 1.403 10 10 DDCE CC(=O)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C 1951831596 AKTAUAAOACIMOM-ZDUSSCGKSA-N 307.346 1.986 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(c2c(O)cc(O)cc2O)CCNC1 1952174354 IJAMNESDYZNIOJ-OAHLLOKOSA-N 310.350 1.517 10 10 DDCE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2c2ccc(N)cc2)C1 1987169711 HCLUALYVVKQASV-CQSZACIVSA-N 319.405 1.829 10 10 DDCE CNCc1ccc(N2C[C@@H](O)C(F)(F)C2)cc1Br 2034600246 QJURMSLXXVNHKZ-LLVKDONJSA-N 321.165 1.985 10 10 DDCE C[S@@](=O)CCC[S@](=O)CCCOc1ccc(N)cc1 320240988 XNERRCQFAHRBIC-RTBURBONSA-N 303.449 1.555 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@@H]2C[C@@]23CC3(F)F)cc1 2172025459 LHIFYMGYOUZIKH-CMPLNLGQSA-N 302.346 1.734 10 10 DDCE O=C(O)C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1O 2174351503 LSPDDOBTWMXPPG-RDDDGLTNSA-N 320.172 1.966 10 10 DDCE C[C@@H](N)c1cc(F)c(N(C)CCCS(C)(=O)=O)c(F)c1 2194703250 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CCCCOc1ccccc1/C=C1\C(=O)NC(=O)N(C)C1=O 59860448 JGYMDZOEMJTZJA-ZRDIBKRKSA-N 302.330 1.957 10 10 DDCE CCN[C@H]1C(=O)Nc2cc(N3CCN(C)CC3)c(Cl)cc21 118704737 CQHSQBPMLYYYMP-CQSZACIVSA-N 308.813 1.695 10 10 DDCE COC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 171178521 CCXJRBCNJIMZAZ-GJZGRUSLSA-N 318.373 1.153 10 10 DDCE CN(c1ccc(CN)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 36869309 JEFHNAJVCGIYTL-NSHDSACASA-N 322.352 1.787 10 10 DDCE CC[C@H]1CN(Cc2ccc(OC)cc2O)CCN1C[C@@H](C)O 120763237 XYFYYNQFKUJYPO-HIFRSBDPSA-N 308.422 1.678 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)C1(N2CCOCC2)CCC1 363692413 VWYQZQFQEUMISL-UHFFFAOYSA-N 320.389 1.011 10 10 DDCE Cc1cn(C)nc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 826043616 MFVROLHEBMYYKS-SNVBAGLBSA-N 304.350 1.892 10 10 DDCE CN1CCN(c2ccc(CN3CCc4nccnc4C3)cc2)CC1 827692475 JGQNDTHHFVECLZ-UHFFFAOYSA-N 323.444 1.787 10 10 DDCE C[C@H](NC(=O)CCc1cnn(C)n1)c1ccc(N(C)C)cc1 828860288 AKXPMJNTSOGMBM-LBPRGKRZSA-N 301.394 1.691 10 10 DDCE CO[C@]1(CO)CCCN(Cc2ccc(N3CCOCC3)cc2)C1 826947342 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800706632 JVDONYDUBYDPEU-ZDUSSCGKSA-N 318.421 1.433 10 10 DDCE CC(C)[C@H](C)S(=O)(=O)C[C@H](O)COc1ccc(N)cc1 722438452 FVYARFJHAKJQGS-WCQYABFASA-N 301.408 1.468 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC(=O)N[C@@H](C)C2)c([N+](=O)[O-])c1 829001787 ZUUPCWSSKZLEBE-RWCYGVJQSA-N 319.317 1.106 10 10 DDCE NC(=O)CCn1nc(Cc2ccc(N)cc2)c2ccccc2c1=O 821186644 IJKYTVAJIIDKBG-UHFFFAOYSA-N 322.368 1.445 10 10 DDCE NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)/C=C/c1ccc(O)c(O)c1 832830274 BLXIEEXGOUMMSO-WJUFFVQMSA-N 316.357 1.223 10 10 DDCE CN(C)c1ccc(CNC(=O)CN[C@H]2COCC2(C)C)cc1 832170559 PAJFMUDWOFKJBD-HNNXBMFYSA-N 305.422 1.383 10 10 DDCE COc1cc(COCC(=O)NCc2c(O)cccc2F)ccn1 928709801 LYHIUZSZANPYML-UHFFFAOYSA-N 320.320 1.768 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)[C@@H](C)CCO)c([N+](=O)[O-])c1 845752733 QJXBNTKUSFCXOG-XOIDGJRKSA-N 308.334 1.988 10 10 DDCE COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](CCF)C3=O)C2)cc1 849356614 FZSWUKPCJIJJGE-JSGCOSHPSA-N 321.352 1.554 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H](O)C3)C2)cc1 854296508 JDVHOQXZDJRQIA-OBJOEFQTSA-N 305.378 1.096 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@H]2C[C@H](O)C23CCC3)cc1 853244160 FQMPDBURFWAHPT-GJZGRUSLSA-N 303.406 1.855 10 10 DDCE O=C1CC[C@@H](CNC(=O)NCc2ccc(N3CC=CC3)cc2)N1 853776065 LALCTFQCRDWYPP-AWEZNQCLSA-N 314.389 1.141 10 10 DDCE CC(=O)C(=O)COC(=O)C1CC(O)(c2cccc(Cl)c2)C1 860103211 QXRPYDZTYAXESE-UHFFFAOYSA-N 310.733 1.639 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](O)c1cccnc1 935945635 FDUHUCRIZQMNLF-CQSZACIVSA-N 307.346 1.623 10 10 DDCE Cn1nc2c(c1/C=C1\C(=O)NN(c3ccccc3)C1=O)CCCC2 865219429 XOZADAWAYOCIFC-SDNWHVSQSA-N 322.368 1.760 10 10 DDCE O=C(CCCOC1CCOCC1)NCc1cccc(O)c1O 1123977968 NCNBYVRXJNSDLZ-UHFFFAOYSA-N 309.362 1.690 10 10 DDCE CN1C(=O)COc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc21 1302786020 CFQCNXIEIDYQLY-UHFFFAOYSA-N 324.336 1.903 10 10 DDCE O=C(O)CN(CCO)Cc1ccc(Br)cc1O 1963594580 DNZFPRRXBCMDGB-UHFFFAOYSA-N 304.140 1.034 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1[C@H]2C[C@@H]3CO[C@@H]1[C@H]3C2 1329620630 MMLAXPXAMYMNKK-WGYBEGRZSA-N 301.342 1.651 10 10 DDCE COc1cc(N)c(N(C)CCCS(C)(=O)=O)cc1OC 694210835 DNEKWMWRJSNFAK-UHFFFAOYSA-N 302.396 1.157 10 10 DDCE COc1ccc(CN[C@@H](C)CN(C)C(=O)CNC(C)=O)cc1C 1277742932 RCCFTZYEIFKDEA-ZDUSSCGKSA-N 321.421 1.076 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1cnn2c1CCCC2 1350717421 NXAPLBUKPNGNQZ-ALCCZGGFSA-N 313.357 1.960 10 10 DDCE CCOC(=O)C1(CC(=O)NCc2c(O)cccc2O)CCC1 1456310419 AVNRFPGARHLLDV-UHFFFAOYSA-N 307.346 1.838 10 10 DDCE CN(C)C(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)cc1 1455355176 AODLLIXDTWBYII-UHFFFAOYSA-N 314.341 1.730 10 10 DDCE CC(=O)NN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 1089924 RYXXUHRTUNLIED-POHAHGRESA-N 323.355 1.847 10 10 DDCE O=C(Cn1ncc(=O)c2ccccc21)NCc1ccccc1O 1622772744 FJLUVZGEXJEZLV-UHFFFAOYSA-N 309.325 1.419 10 10 DDCE CNc1nccc(C(=O)NCc2ccc(O)cc2O)c1[N+](=O)[O-] 1638352828 WBMARGBUQAGAQY-UHFFFAOYSA-N 318.289 1.373 10 10 DDCE O=C(NCCn1cncn1)c1cc2cc(O)c(O)cc2s1 1632707728 JJHLNVQUQJQWHG-UHFFFAOYSA-N 304.331 1.334 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@]1(c2ccccc2)C[C@H](O)C1 1597579626 PSRIKHKIQKUGTQ-QGGXVJLZSA-N 313.353 1.807 10 10 DDCE CCOc1cccc(CNCC(=O)OCC(F)(F)F)c1O 1857872530 PNQXSAWYCXCYPS-UHFFFAOYSA-N 307.268 1.986 10 10 DDCE CNCc1ccc(N2CCC[C@@H]2C(N)=O)c(Br)c1 234440421 BKCARPWXAJBIPM-GFCCVEGCSA-N 312.211 1.623 10 10 DDCE CCOC(C)(C)CS(=O)(=O)NCCc1ccc(N)cc1 2144941590 NHXMFMCERMWPDN-UHFFFAOYSA-N 300.424 1.546 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1C[C@@H](O)C[C@H]1O 2000837046 PHYYMMSHRCWZKR-FBIMIBRVSA-N 302.168 1.129 10 10 DDCE C[C@@H](NCc1ccc(F)c(F)c1O)[C@@H]1CCS(=O)(=O)C1 2146101728 ZPPZVBMLCXISME-PSASIEDQSA-N 305.346 1.583 10 10 DDCE CN(CC(=O)c1ccc(O)c(O)c1)C1CCC2(CC1)OCCO2 2165110234 MBGIUBHSCLXVFS-UHFFFAOYSA-N 321.373 1.898 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCC[C@H]3CCO[C@@H](C)C3)c2n1 2062804761 LNADCYUWWNCRKV-RYUDHWBXSA-N 318.377 1.678 10 10 DDCE C[C@@H](O)c1cc(F)c(N2CCS(=O)(=O)C[C@H]2C)c(F)c1 2194516231 UGPWQCRDHBPJSW-RKDXNWHRSA-N 305.346 1.641 10 10 DDCE C[C@@H](O)[C@H]1CN(c2ccc(CO)c(Br)c2)CCO1 2053843991 NSOVWMYTSVNBFB-NOZJJQNGSA-N 316.195 1.527 10 10 DDCE C[C@H](O)[C@@H]1CN(c2ccc(CN)cc2Br)CCO1 2053844007 HQEVHPDMMGOIRN-ZANVPECISA-N 315.211 1.494 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1COc1nnc(=N)[nH]n1 2210653304 HMAUNBDXAWWMST-NXEZZACHSA-N 324.385 1.141 10 10 DDCE C[C@H](O)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1O 2206687520 WCRCKYVAOULLMR-ZETCQYMHSA-N 307.318 1.272 10 10 DDCE CSc1ncc(CNS(=O)(=O)CC2CCNCC2)s1 2269088582 SQYFTMFWSNAWJV-UHFFFAOYSA-N 321.493 1.284 10 10 DDCE O=C(O)c1ccc(C=C2SC(=S)N(CCCO)C2=O)cc1 2294874808 VEDCJJVLGSBIEC-UHFFFAOYSA-N 323.395 1.968 10 10 DDCE CN=c1ccc(C(=O)NCc2cnc(SC)s2)c(C)[nH]1 2284719504 HCUTZCDQTFUZSX-UHFFFAOYSA-N 308.432 1.962 10 10 DDCE COC(=O)CN1C(=O)SC(=Cc2cc(C)n(C)c2C)C1=O 2297360727 QXNPARIZPZLMNA-UHFFFAOYSA-N 308.359 1.851 10 10 DDCE C[C@@H](NC(=O)C=Cc1ccc(O)c(O)c1)C(=O)NC(C)(C)C 2307986501 CZNFDJTZTVFDFM-SNVBAGLBSA-N 306.362 1.530 10 10 DDCE COc1cccc(C=C2SC(=S)N(NC(C)=O)C2=O)c1 2314717608 FVUBHCXZXASJMF-UHFFFAOYSA-N 308.384 1.948 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@](Sc2nccs2)(C(=O)O)C1 2327005645 MSJQKCOMQCVZIQ-GMSGAONNSA-N 307.418 1.656 10 10 DDCE Cc1ccc(CN(CCO)C[C@H](C)O)c(O)c1Br 2327788337 CLASWMILPBJYKR-JTQLQIEISA-N 318.211 1.638 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCC[C@H]2CN)s1 2349499747 GJUQBXVLXMSYLF-QPUJVOFHSA-N 301.437 1.537 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCCn2cc(C)cn2)c1 118077940 AFUQRJSXCNSLMO-GFCCVEGCSA-N 318.377 1.966 10 10 DDCE NS(=O)(=O)Nc1cccc(NCc2ccc(O)c(O)c2)c1 37130783 FSCBBAUYHBFLSV-UHFFFAOYSA-N 309.347 1.325 10 10 DDCE COc1cc(Cl)c(N2C[C@H](O)[C@H](O)C2(C)C)c(OC)c1 2368091874 FWZHFFABZCYWHR-GWCFXTLKSA-N 301.770 1.678 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H]2CSCCS2)cc1 229577257 JAPQCVMQIGMUPG-LBPRGKRZSA-N 318.489 1.537 10 10 DDCE CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cccc(OC)c1O 372280783 GBUBKXGEFIRWNV-ZIAGYGMSSA-N 323.389 1.943 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(-n2cnc3ccccc32)nc1 808533058 RXCAAAORLZBKQI-UHFFFAOYSA-N 323.308 1.735 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCCN(c2ccccc2)C1=O 814606610 GQDDOCUJWLOKTQ-CYBMUJFWSA-N 303.314 1.131 10 10 DDCE COC[C@@H](O)[C@H](N)c1c(Br)ccc(Cl)c1O 713787570 XIKBLJSNECZDHU-APPZFPTMSA-N 310.575 1.815 10 10 DDCE Cc1cc(O)c(CN[C@@H]2CCc3nnnn3CC2)c(Cl)c1 817420183 PDBUZLYLCIENAJ-SNVBAGLBSA-N 307.785 1.835 10 10 DDCE O=C(O)[C@H]1C[C@H](S(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 723272428 UKUNXBZCHQUBSM-FKQCQYRASA-N 305.739 1.651 10 10 DDCE COC(=O)[C@@H](NCc1ccc(N(C)C)cc1)c1ccnn1C 830369813 OKDCWBRQGYYOPN-HNNXBMFYSA-N 302.378 1.490 10 10 DDCE C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1ccc(N)cc1 841033640 YTVYPLMVCUSRJS-CHWSQXEVSA-N 318.421 1.586 10 10 DDCE CCN(CC)c1ccc([C@H]2NC(=O)[C@H](COC)N2C)cc1F 840831411 IOCJRHZDGKBKNE-GJZGRUSLSA-N 309.385 1.747 10 10 DDCE C[C@H]1CCNC[C@H]1NC(=O)NCCCSc1nccs1 841856722 KIOJCFWYDGXZAU-WDEREUQCSA-N 314.480 1.923 10 10 DDCE Cc1ccc(O)c(CNC(=O)NCCCCN2CCOCC2)c1 858152394 OZOCSZSLPSJVJU-UHFFFAOYSA-N 321.421 1.612 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)CC2CN(C)C2)c([N+](=O)[O-])c1 853825800 VQERODMHSQKLOC-ALCCZGGFSA-N 319.361 1.779 10 10 DDCE COC(=O)c1cnn(C)c1NC(=O)N1Cc2cccc(O)c2C1 931575450 HEKMBMYMHPSGDJ-UHFFFAOYSA-N 316.317 1.460 10 10 DDCE CCOc1ccc(CN2CCS(=O)(=O)C(C)(C)C2)c(O)c1 769505942 KPRZCSCLZKZMQQ-UHFFFAOYSA-N 313.419 1.800 10 10 DDCE CO[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)[C@H]1CCOC1 868759865 OZOBAAVQVCWABS-XUJVJEKNSA-N 308.378 1.804 10 10 DDCE Oc1c(F)cc(F)cc1CN1CCN(c2cccnn2)CC1 893988293 VIQSIZFSOGNIHU-UHFFFAOYSA-N 306.316 1.783 10 10 DDCE COC(=O)[C@H]1[C@H](CNCc2ccc(OC)cc2O)C1(F)F 894635926 JJNLUEWZEKUBGF-CMPLNLGQSA-N 301.289 1.545 10 10 DDCE COc1cccc(CNC(=O)N[C@]2(C)CC(C)(C)OC2=O)c1O 1347520338 DOKDVJWITFZBBT-MRXNPFEDSA-N 322.361 1.684 10 10 DDCE COc1ccccc1[C@@H](O)C(=O)NCc1c(O)cccc1F 1178412593 AWACBELAKHWOAK-OAHLLOKOSA-N 305.305 1.890 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)cc1Cl 702987865 KKZXRXJSSPIMTE-NXEZZACHSA-N 318.826 1.521 10 10 DDCE Oc1cccc(Br)c1CNCC[C@@]1(O)CCOC1 706872926 VRAUEODFPQVMOO-CYBMUJFWSA-N 316.195 1.786 10 10 DDCE Cc1nc([C@@H](NCCN=[N+]=[N-])C(N)=O)sc1Br 719301664 YVUUUVCVRSGVLQ-YFKPBYRVSA-N 319.188 1.640 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CCCc2ccnc(O)c21 1183987017 ISZMTPIIEBTWKZ-UHFFFAOYSA-N 304.277 1.931 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cnc2sccn2c1=O 1469151871 HSLYIAJYVGJIEK-UHFFFAOYSA-N 317.326 1.097 10 10 DDCE COc1ccc(CNC[C@H](C)CNC(=O)[C@H](O)C(C)C)cc1C 1495657890 PVHQTZVQEPLUCZ-SUMWQHHRSA-N 322.449 1.862 10 10 DDCE NC(=O)c1cnc(C(=O)NCc2ccc(O)cc2O)c(Cl)c1 1626837869 HXACRVVWJGVHJE-UHFFFAOYSA-N 321.720 1.175 10 10 DDCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN(C2CC2)C1 1636745278 NZOJISRWDGHVOQ-LBPRGKRZSA-N 304.390 1.583 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)[C@H](C)CC(N)=O)cc1C 1732966672 PXCMACXPTROAJX-CHWSQXEVSA-N 321.421 1.109 10 10 DDCE Cn1ccc(-c2cc(C(=O)NCc3cccc(O)c3O)no2)n1 1651175629 GYRLUXMQTUSIJD-UHFFFAOYSA-N 314.301 1.416 10 10 DDCE C[C@@H](Oc1ccc(C=O)cc1)C(=O)NCc1cccc(O)c1O 1593739906 ZAKIRQJKIJIQMA-LLVKDONJSA-N 315.325 1.994 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCC2(CC1)OCCO2 1965277624 NKDOLXHKGFWDNN-ZDUSSCGKSA-N 321.373 1.832 10 10 DDCE CN(C)c1ccc(CNC(=O)CNC(=O)c2cccnc2)cc1 156815536 MDNJPSQAGSBXJX-UHFFFAOYSA-N 312.373 1.194 10 10 DDCE CN(Cc1ccc(Cl)cc1O)[C@H]1CCN(S(C)(=O)=O)C1 1205951035 GEUGLPNZOUZUAM-LBPRGKRZSA-N 318.826 1.511 10 10 DDCE CCOc1cccc(CNCCC(=O)N=c2cc(C)o[nH]2)c1O 1857852361 UVZNTPIPEXPXNK-UHFFFAOYSA-N 319.361 1.628 10 10 DDCE Cc1c(OCCOc2ccc(N)cc2)c(=O)ccn1CC(=O)O 1857911200 ULMQMFNWUDVRBX-UHFFFAOYSA-N 318.329 1.281 10 10 DDCE CN[C@@H](c1ccccc1O)[C@@](C)(O)CS(=O)(=O)C(C)C 2170540651 VSRGMFGXPSYPEG-KBPBESRZSA-N 301.408 1.227 10 10 DDCE COc1ccc([C@H](C)NCCCCS(C)(=O)=O)c(O)c1 692794048 HKEXPSFJXKXXQJ-NSHDSACASA-N 301.408 1.876 10 10 DDCE C[C@@H](O)[C@H](O)CNCc1cc(Br)cc(F)c1O 715748038 YQDHHBAJXFYECY-LHLIQPBNSA-N 308.147 1.125 10 10 DDCE CC1(CS(C)(=O)=O)CN(c2ccc(CN)c(F)c2F)C1 2173201450 FMEQABLZARPDSP-UHFFFAOYSA-N 304.362 1.294 10 10 DDCE NCc1cc(F)c(N2C[C@H](CO)C[C@@H](CO)C2)cc1Cl 2236640662 BMPHKGPXKIGGOB-NXEZZACHSA-N 302.777 1.365 10 10 DDCE CNC(=O)C1(NCc2ccc(C)c(Br)c2O)CC1 2327611613 FKFOXYDTUBQOTP-UHFFFAOYSA-N 313.195 1.831 10 10 DDCE CC(=O)NC[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1 172168921 IVPQHEYVLAURJG-MRXNPFEDSA-N 304.390 1.218 10 10 DDCE CC1(C)C(=O)NCCN1c1ccc(CN)c(C(F)(F)F)c1 110651944 DMPRXLCWYIACOP-UHFFFAOYSA-N 301.312 1.879 10 10 DDCE C[C@@H]1CN(C2CCN(C(=O)c3cccc(O)c3O)CC2)CCO1 187025034 CBZRFCSOIPXFLR-GFCCVEGCSA-N 320.389 1.423 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)c1O 188650807 VPPXVBFDGXIDOJ-YRGRVCCFSA-N 306.362 1.768 10 10 DDCE O=C1Cc2ccc(C(=O)NCCc3ccc(O)c(O)c3)cc2N1 188694142 GUIBBCXZAFKFRL-UHFFFAOYSA-N 312.325 1.565 10 10 DDCE C/C=C/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 40142070 JGXRZZUKKLHUFO-FGBFNAGVSA-N 303.430 1.494 10 10 DDCE COc1cc(Cl)c(N2C[C@H](O)[C@@H](O)C2(C)C)c(OC)c1 2368091875 FWZHFFABZCYWHR-GXFFZTMASA-N 301.770 1.678 10 10 DDCE Cc1cc(O)c([C@H]2COCCN2)cc1I 238491282 FOEHDBFFVCXMHW-SNVBAGLBSA-N 319.142 1.966 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1 246334191 GMQWKKFRZHLABA-SWLSCSKDSA-N 321.421 1.929 10 10 DDCE COc1nnc(NC(=O)NCc2cccc(OC)c2O)s1 276408067 DFPCKRZBJMOWJB-UHFFFAOYSA-N 310.335 1.583 10 10 DDCE C[C@@H](OCC(=O)NCCc1ccc(O)c(O)c1)c1nccn1C 807106840 SLRJHJAJUXNWBE-LLVKDONJSA-N 319.361 1.268 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@H]2CN(C)C(=O)N2)cc1F 826943651 XFBVCEWGYSRYQS-CYBMUJFWSA-N 322.384 1.312 10 10 DDCE CC(C)[C@@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@@H]1C(=O)O 62461263 JYOORQJHGYUFFV-KGLIPLIRSA-N 305.378 1.781 10 10 DDCE CN(C)c1ccc(CNC(=O)NC[C@H](O)c2ccnn2C)cc1 913926533 FWAXGGLUNPDMLJ-HNNXBMFYSA-N 317.393 1.019 10 10 DDCE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCCc2ccc(N)cc2)CC1=O 841856407 NOTKWEDCTWEDPC-KCPJHIHWSA-N 316.405 1.120 10 10 DDCE Cc1cc(O)c(CNCC(C)(C)NS(C)(=O)=O)c(Cl)c1 840896030 BQVHLSKMDKPHQI-UHFFFAOYSA-N 320.842 1.771 10 10 DDCE COCCN(C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 849415719 FUJNBFPCCVNMED-CYBMUJFWSA-N 307.394 1.562 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@H](C3CCC3)C1)[C@H](O)CO2 840174513 BKOTXAAPLFPIAM-WBVHZDCISA-N 305.374 1.819 10 10 DDCE CN1CCCc2cc(CN3C(=O)N[C@H](CCF)C3=O)ccc21 844723646 ZZAPASCFOMUXKB-CYBMUJFWSA-N 305.353 1.849 10 10 DDCE CO[C@](C)(CO)CNC(=O)NCCCSc1nccs1 847336557 RNTAGEKUDSANGT-LBPRGKRZSA-N 319.452 1.322 10 10 DDCE COc1cccc(CNC(=O)NC[C@H](OC)[C@@H]2CCOC2)c1O 854276350 NBFSXKJGBRIORX-OCCSQVGLSA-N 324.377 1.252 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@]3(C)CCOC3)C2)cc1 854299297 NKEKMJZLKLBCTO-DYVFJYSZSA-N 319.405 1.752 10 10 DDCE C[C@H](NCCc1nnnn1C)c1cc2c(cc1O)CCCC2 756674927 DHVDAORMSDAKNP-NSHDSACASA-N 301.394 1.688 10 10 DDCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[C@H]1CN 923494535 YPMGPDVCMIGEQI-WBVHZDCISA-N 303.450 1.940 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NCC2(N)CCOCC2)c1 861669424 RHBKJUXCBCLPBH-NSHDSACASA-N 323.393 1.269 10 10 DDCE COCc1cc(NC(=O)N2Cc3cccc(O)c3C2)ncn1 930428576 SZRPDOOROPMSKX-UHFFFAOYSA-N 300.318 1.876 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCc2n[nH]cc21 763280614 SHAMGUDTAGEIBU-PWSUYJOCSA-N 315.373 1.988 10 10 DDCE Cc1ccccc1-n1c(C)cc(C(=O)NC[C@H](O)[C@@H](C)O)c1C 871123714 XEGJUKQKNYRVMH-PBHICJAKSA-N 316.401 1.874 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@@H](O)Cc1cnn(C)c1 787123002 YSXHSOHNLGRJRC-INIZCTEOSA-N 317.389 1.468 10 10 DDCE C[C@H]1CCc2[nH]nc(C(=O)NCc3cccc(O)c3O)c2C1 1123979029 ZTCDEVLIYMICEL-VIFPVBQESA-N 301.346 1.876 10 10 DDCE O=C(Cc1cccc(O)c1)OCC(=O)c1ccc(O)c(O)c1 783262751 OJNLIADFFHVDRC-UHFFFAOYSA-N 302.282 1.772 10 10 DDCE CC(=O)c1cn(C2CN(Cc3c(O)cccc3Cl)C2)nn1 897937334 NKMGGRPBMWHGLI-UHFFFAOYSA-N 306.753 1.897 10 10 DDCE CSc1ncc(CNCCN2CCN(C(C)C)CC2)s1 2284502107 VDFCYJPOOMKRFW-UHFFFAOYSA-N 314.524 1.981 10 10 DDCE COc1ccc(CNC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c(O)c1 793010862 OBSHTRUFZRYMDD-JTQLQIEISA-N 318.377 1.863 10 10 DDCE CCC[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)C(=O)OCC 1155958369 LZQOUUJGNLITOA-LBPRGKRZSA-N 309.362 1.736 10 10 DDCE COC(=O)c1cnc(C(=O)NCc2cccc(Cl)c2O)cn1 1305085009 QICIFSAPUDOPKZ-UHFFFAOYSA-N 321.720 1.552 10 10 DDCE COC(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)o1 1161256081 JQIYONNVMNJULN-UHFFFAOYSA-N 309.249 1.547 10 10 DDCE COc1ccc(CCNC(=O)NCc2c(O)cccc2F)cn1 1334338660 QCWAYAPLWUYKKG-UHFFFAOYSA-N 319.336 1.977 10 10 DDCE C[C@H]1[C@@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C 1332351012 BBTONAALCIMKAX-YOEHRIQHSA-N 320.456 1.760 10 10 DDCE CCOCc1cc(CN[C@@H]2CCO[C@@H]2C(=O)O)ccc1OC 1353915628 LSSPTSLOLYNODB-HIFRSBDPSA-N 309.362 1.563 10 10 DDCE NC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1 1451942948 HGFSSANEDRMIFT-UHFFFAOYSA-N 321.336 1.969 10 10 DDCE CSCc1noc(CCC(=O)NCc2ccc(O)cc2O)n1 1469158592 COKRHWLFSWUMEV-UHFFFAOYSA-N 323.374 1.593 10 10 DDCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1nnn(C)n1 1470256101 AHMQLEFPNZSLLE-UHFFFAOYSA-N 324.344 1.682 10 10 DDCE C[C@@H](F)CS(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 2121062737 WRSOKYNJWSFNCE-MRVPVSSYSA-N 310.372 1.158 10 10 DDCE CCOC(=O)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1621161431 JMUXPBFRVPOISM-VIFPVBQESA-N 306.322 1.778 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)c1cccc(F)c1 1566337445 VSTBPGNINZQJGH-HNNXBMFYSA-N 305.305 1.629 10 10 DDCE Cn1c(S)nnc1CNC(=O)c1ccc(N=NC(N)=O)cc1 1565641281 OVGGWOIMKWHZNB-UHFFFAOYSA-N 319.350 1.196 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H](S(C)(=O)=O)C2)c(Cl)c1 2123343983 ZBTIYPJJIHUYCT-GXSJLCMTSA-N 302.827 1.983 10 10 DDCE Cc1cnc2c(cnn2CC(=O)NCc2c(O)cccc2O)c1 1647289910 LTQKUOZFHBHXBZ-UHFFFAOYSA-N 312.329 1.467 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@H]1COCCN1C1CCCC1 1644753996 MTDDUWYVMGHFNV-HNNXBMFYSA-N 320.389 1.357 10 10 DDCE CC(C)CCn1cc(C(=O)NCc2cc(O)ccc2O)nn1 1643882449 XXLOUQNENCGEDV-UHFFFAOYSA-N 304.350 1.665 10 10 DDCE C[C@H]1C[C@H](NCc2ccc(F)c(F)c2O)CCS1(=O)=O 2143958568 PKFCXBHKORSBEW-WCBMZHEXSA-N 305.346 1.726 10 10 DDCE Cc1cccc(CNC(=O)[C@@H](N)COCc2ccccc2)c1O 1994451297 JCISYZLTGXIXBR-INIZCTEOSA-N 314.385 1.861 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@](O)(CO)C2)c(Br)c1 314091083 CISHNFIDLMQEHV-ZANVPECISA-N 315.211 1.402 10 10 DDCE CCS(=O)(=O)[C@@H]1CSCCN1Cc1ccc(N)cc1 90926440 ONKHYTKJYUVTMF-CYBMUJFWSA-N 300.449 1.578 10 10 DDCE CC(C)S(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(O)cc1O 2170585787 OONMGAOTYPCGEA-QWRGUYRKSA-N 301.408 1.960 10 10 DDCE CN(CCOCCN)Cc1ccc(Br)cc1O 699496233 BPBSXKJLWXDAHU-UHFFFAOYSA-N 303.200 1.562 10 10 DDCE CN(Cc1cccc(F)c1O)[C@@H]1CCCS(=O)(=O)CC1 694197011 ZQAIDLUPGRGCMK-GFCCVEGCSA-N 301.383 1.930 10 10 DDCE CCCOc1cc(N(C)CCCS(C)(=O)=O)ccc1N 694205483 BHORQWWHXYRAMX-UHFFFAOYSA-N 300.424 1.929 10 10 DDCE COc1cccc(O)c1[C@H](C)n1ncc(C(=O)N(C)C)c1O 2070583479 NPEFIEHGTFZMLC-VIFPVBQESA-N 305.334 1.614 10 10 DDCE CCOC(=O)CCCS(=O)(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2234165999 IVSMXFNQGHIFDS-NXEZZACHSA-N 304.372 1.481 10 10 DDCE CCCSC[C@@H](N)C(=O)NCc1cnc(SC)s1 2256951517 ZJBKEMFBQUZWLL-SECBINFHSA-N 305.494 1.952 10 10 DDCE CN(C)S(=O)(=O)[C@@H]1CCN(c2ccc(CN)c(Cl)c2)C1 2279308267 XVWCMIMTKBLXSP-GFCCVEGCSA-N 317.842 1.269 10 10 DDCE O=C1NC(=S)N(C2CCCCC2)C(=O)C1=CNC1CCCC1 2296917105 VRGATYVFXYYHST-UHFFFAOYSA-N 321.446 1.979 10 10 DDCE Cc1ccc(CNC(=O)/C=C\C(=O)O)c(O)c1Br 2327799595 XVZIVSNLVLGHPB-PLNGDYQASA-N 314.135 1.720 10 10 DDCE Nc1ccccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 103769503 ZQRHIYGMMBYINI-ZRDIBKRKSA-N 322.324 1.848 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC2(CC1)OCCO2 170045046 NRHQVYQDAWQAAV-GFCCVEGCSA-N 321.373 1.642 10 10 DDCE COc1cc(Cl)c(N(C)C[C@H](O)CN(C)C)c(OC)c1 2368117712 NEKKJKWEXKDJOJ-SNVBAGLBSA-N 302.802 1.716 10 10 DDCE COc1ccc(N(C)CC(=O)N2CCOC[C@@H]2C2CC2)cc1F 371373839 BPAANBQGZXNHDL-OAHLLOKOSA-N 322.380 1.908 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 808537641 QGYKGEDBNYUZDI-BDAKNGLRSA-N 300.232 1.909 10 10 DDCE COc1ccc(Br)c(C(=O)OCC(=O)C(C)=O)c1 808496074 ZCBVDXVLEOKKLT-UHFFFAOYSA-N 315.119 1.773 10 10 DDCE NC(=O)CN(Cc1ccc(N)cc1)Cc1cc(Cl)ns1 2167230644 DJESBMHNXDRFIR-UHFFFAOYSA-N 310.810 1.866 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@H]3CC[C@H]2CN3)cc1F 817876356 FJUUNDFIKKNQAD-OLZOCXBDSA-N 306.385 1.538 10 10 DDCE O=C(NCc1cccnc1-n1ccnc1)c1cc(O)cs1 732267492 HNMRSCOHYPANQT-UHFFFAOYSA-N 300.343 1.964 10 10 DDCE Cc1ccc(C(=O)NCc2cc3n(n2)CCCC3)c(O)c1O 912028661 DZCDTAPAEIRPKP-UHFFFAOYSA-N 301.346 1.869 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](O)C(C)(C)O 910557748 IXKRYCJISOMONE-SWLSCSKDSA-N 308.422 1.240 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(C2(O)CC2)CC1 846327886 SWUQOKDESSFSCI-RQOWECAXSA-N 303.358 1.875 10 10 DDCE COc1ccc(CNS(=O)(=O)[C@@H]2CCO[C@@H](C)C2)c(O)c1 849391145 JIRKGIFJXCTXNG-GXFFZTMASA-N 315.391 1.388 10 10 DDCE CCc1cccc(CN[C@@H](C(=O)OC)c2ccn(C)n2)c1O 848905474 IFRRDXBSTCFGTK-CQSZACIVSA-N 303.362 1.692 10 10 DDCE COCCn1ncc(C(=O)NCc2c(O)cccc2F)c1C 928709645 KHEGIGPIRWWOMP-UHFFFAOYSA-N 307.325 1.613 10 10 DDCE O=C(CNC(=O)NC1CCCCC1)NCc1c(O)cccc1F 928712609 UOWIGNGVSUUYKV-UHFFFAOYSA-N 323.368 1.779 10 10 DDCE COc1ccc(N2CC[C@H](Nc3ccc(C(N)=O)nn3)C2)cc1 853759070 OPGHGDBPLHRVBU-NSHDSACASA-N 313.361 1.275 10 10 DDCE CNc1cnc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cn1 860241536 KMWYDWPHFGCIBZ-SECBINFHSA-N 302.334 1.724 10 10 DDCE O=S1(=O)CCC[C@H](CNCc2ccc(F)c(F)c2O)C1 877533510 PLYKVXRPXQMFMI-SECBINFHSA-N 305.346 1.585 10 10 DDCE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 871199608 ZQCDIBMHMABHSL-CYBMUJFWSA-N 324.402 1.049 10 10 DDCE COC(=O)N(C)CCNC(=O)c1cc2cc(O)c(O)cc2s1 898789648 OPNZITXYIYGKOS-UHFFFAOYSA-N 324.358 1.741 10 10 DDCE Cc1cc(Br)c(O)c(CNCc2nnn(C)n2)c1 785617811 VGCVLEVLKNDLTG-UHFFFAOYSA-N 312.171 1.276 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(CCO)CC1 895585641 LLVZXBRPPRCTET-UHFFFAOYSA-N 322.386 1.063 10 10 DDCE O=S(=O)(NCc1cc(Br)ccc1O)C1CC1 796190230 CQFZUVHEQLDJFD-UHFFFAOYSA-N 306.181 1.737 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@H]1COc2ccccc2O1 1162271406 DDTKPWCBOVUGMY-OAHLLOKOSA-N 301.298 1.554 10 10 DDCE CNC(=O)[C@H]1CCN(Cc2c(O)cccc2Br)C1 707142189 IXDXNMSXFAEECW-VIFPVBQESA-N 313.195 1.723 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)C2CCCC2)cc1C 1320190097 UEPIESPAJHWZLV-INIZCTEOSA-N 320.433 1.761 10 10 DDCE C[C@H](NC(=O)C(=O)N[C@@H]1[C@H]2CCC[C@H]21)c1ccc(N(C)C)cc1 1261112901 HBYFOMSDXNPKOT-DANNLKNASA-N 315.417 1.845 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCCn2cncn2)cc1 1469631677 VEBJVAYNVXFRQJ-UHFFFAOYSA-N 301.310 1.261 10 10 DDCE O=C1NC[C@H](C(=O)NCc2cccc(O)c2O)c2ccccc21 1471642002 FNFQMMNLGINVBW-ZDUSSCGKSA-N 312.325 1.241 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 1610066532 RTRWCMHGHGWOTE-HFBAOOFYSA-N 303.358 1.714 10 10 DDCE Cn1cc(-c2ncccc2C(=O)NCc2c(O)cccc2O)cn1 1558535011 BTABTTZSVZPXGN-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@H]1C[C@@]12C(=O)Nc1ccccc12 1637129550 JWMHPXUNZVIELW-ACJLOTCBSA-N 324.336 1.624 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCN1CC[C@@H](F)C1 1638347913 MVBIZQFANCHRMF-WCQYABFASA-N 310.369 1.579 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H](CNCCF)C2CC2)cc1 1498872282 FQYLCUNWOTXUOM-ZDUSSCGKSA-N 321.356 1.917 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC(CC(N)=O)C2)c([N+](=O)[O-])c1 1773003234 KAYBDFYMUBKLNY-HYXAFXHYSA-N 319.317 1.093 10 10 DDCE Cn1nncc1C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1889931684 FFGMSOLIOXWMNK-ZFWWWQNUSA-N 311.389 1.734 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1912187409 KHKBMKWDCGETQV-ZETCQYMHSA-N 301.294 1.405 10 10 DDCE CC(C)(C)OC(=O)NCC(=O)N1CCc2cc(O)c(O)cc2C1 1901992329 INLNFFHOHYNXTH-UHFFFAOYSA-N 322.361 1.507 10 10 DDCE COCCNCc1cnc(Sc2ncc(C)c(O)n2)s1 2155334690 PPKCNYSUPMCPSM-UHFFFAOYSA-N 312.420 1.834 10 10 DDCE CSC[C@@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1 400203691 HFAJVMOEHGSSOU-ZDUSSCGKSA-N 300.449 1.926 10 10 DDCE C[C@H](c1cc(Cl)ccc1O)N1C[C@H]2C[C@H]1CS2(=O)=O 319993383 YOKAUKWKAORPES-DVVUODLYSA-N 301.795 1.978 10 10 DDCE C[C@@H](CCS(C)(=O)=O)N(C)CCOc1ccc(N)cc1 2160764358 QMFSKTMXWACUJX-LBPRGKRZSA-N 300.424 1.403 10 10 DDCE C[S@](=O)C1CN(c2c(F)cc(C=CC(=O)O)cc2F)C1 2172022802 QFHPOVNLQIWSIT-FQEVSTJZSA-N 301.314 1.630 10 10 DDCE COCC1=CCN(C(=O)c2cnn3c(O)cc(C)nc23)CC1 2065038501 WALJAYWYTHQZLB-UHFFFAOYSA-N 302.334 1.162 10 10 DDCE C[C@H](c1c(O)cccc1O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 2170637661 YEANAHSIELPKGI-GMTAPVOTSA-N 301.408 1.912 10 10 DDCE OCC(CO)CCNCc1cc(Br)cc(F)c1O 2064521389 VXKNIWKTCYLZGK-UHFFFAOYSA-N 322.174 1.374 10 10 DDCE CN=c1nc(Cl)[nH]c(=NCc2cnc(SC)s2)[nH]1 2257113441 FIBQFOMRZTWQNX-UHFFFAOYSA-N 302.816 1.201 10 10 DDCE C[C@H](O)CN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2323701738 OLRHBYKFPLHSQS-QMMMGPOBSA-N 323.395 1.997 10 10 DDCE Cc1ccc(CNC2CN(C(N)=O)C2)c(O)c1Br 2327792923 PLEMOODOULJSOH-UHFFFAOYSA-N 314.183 1.316 10 10 DDCE CN1CCN(C(=O)OC(C)(C)C)[C@@H](c2c(N)cccc2O)C1=O 1953047816 UPWFAKFCEQSWPQ-ZDUSSCGKSA-N 321.377 1.725 10 10 DDCE c1nc2c([nH]1)CCNC21CCN(c2ccc3c(c2)OCO3)CC1 65373191 NZRCXHLAFNONSO-UHFFFAOYSA-N 312.373 1.780 10 10 DDCE O=c1cc(-c2cc(O)c(O)cc2O)oc2cc(O)c(O)c(O)c12 14436586 VQHQNIOOUSMPJO-UHFFFAOYSA-N 318.237 1.694 10 10 DDCE biogenic Cc1nc(CN(C)C[C@H](O)COc2ccc(N)cc2)cs1 44595034 YUOILKTUVXJLRL-AWEZNQCLSA-N 307.419 1.905 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3CCCNC3)CC2)cc1 41166689 WLPMUISJQNUNHO-AWEZNQCLSA-N 303.406 1.343 10 10 DDCE O=S1(=O)CCC[C@](O)(CNCc2ccc(Cl)cc2O)C1 2368422730 NGQHGFZNUUUTJI-ZDUSSCGKSA-N 319.810 1.075 10 10 DDCE Cc1cc(O)c([C@H]2CNCCN2)cc1I 238491102 WMHDUKDHMRJXJE-SNVBAGLBSA-N 318.158 1.539 10 10 DDCE N[C@@H]1CCCN(c2ccc(O[C@H]3CCS(=O)(=O)C3)cc2)C1 250014795 YAQDETQZOOJJRX-DOMZBBRYSA-N 310.419 1.180 10 10 DDCE CCn1nccc1/C=C\C(=O)NCc1cc(OC)ccc1O 255315064 VYNZUOYQKOCVQP-DAXSKMNVSA-N 301.346 1.947 10 10 DDCE Cc1ccc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(O)c1O 364705979 XCJJNRXAHAXTPC-UMNHJUIQSA-N 304.346 1.145 10 10 DDCE CCOc1ccc(O)c(CN2CCN([C@H]3CCC[C@H]3O)CC2)c1 371324827 AUUUQRGHMPFLNB-FUHWJXTLSA-N 320.433 1.822 10 10 DDCE CN(C)c1ccc(CNC(=O)COC2CCC(N)CC2)cc1F 827901540 PNEIOFMEJCTSIP-UHFFFAOYSA-N 323.412 1.794 10 10 DDCE COc1ccc(O)c(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c1 825201119 IUZFLJUJYBVZGC-ZFWWWQNUSA-N 311.403 1.552 10 10 DDCE CN(Cc1cnn2c1CCC2)c1ccc(OCC(=O)O)cc1 902015641 HCGBUCAATFZWII-UHFFFAOYSA-N 301.346 1.929 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)CC2CC(O)C2)c([N+](=O)[O-])c1 588554545 FOKULPOGKANAJJ-XQRVVYSFSA-N 320.345 1.988 10 10 DDCE CCCCS(=O)(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 849416371 QDSJVGNPPGOQBZ-CYBMUJFWSA-N 312.435 1.993 10 10 DDCE C[C@@H]1CN(C(=O)CN2CCCc3cc(CN)ccc32)C[C@@H](C)O1 843349498 BGPKGUSCVDFJCE-ZIAGYGMSSA-N 317.433 1.534 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](C(=O)OC(C)(C)C)C(C)(C)C 849949060 QOUMCQQDHGONDZ-NSHDSACASA-N 300.351 1.692 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)CCCNC3)C2)cc1 852900722 QFRBPPUCTAGPLX-KSSFIOAISA-N 317.433 1.780 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCCN)C2)cc1 851665912 FRLRIOANOWJQHU-KGLIPLIRSA-N 320.437 1.701 10 10 DDCE CC[C@@H](COC)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852133582 HCPVIYWMVDDFSX-KBPBESRZSA-N 321.421 1.998 10 10 DDCE CCOc1ccc(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)c(O)c1 850369305 UQEBIHNDYDMHKR-AAEUAGOBSA-N 313.419 1.846 10 10 DDCE Cc1nc(S(=O)(=O)NCc2ccc(O)cc2O)sc1C 867416355 AZMUKOCIJPXXKQ-UHFFFAOYSA-N 314.388 1.650 10 10 DDCE Nc1ccc(CC(=O)NC[C@@H]2CC3(CCOCC3)CO2)cc1 867993774 BJUJPJDEYRBKFT-HNNXBMFYSA-N 304.390 1.513 10 10 DDCE CCN(Cc1cn(C)nn1)Cc1ccc([N+](=O)[O-])c(OC)c1O 775054287 NCQUIRVDWNQEPF-UHFFFAOYSA-N 321.337 1.460 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)NC1=NCC(=O)N1C 898779183 RECQCXPUYNXCCY-UHFFFAOYSA-N 316.386 1.713 10 10 DDCE CCN(CC)c1ccc(CN2CC[C@](O)(C(=O)OC)C2)cc1F 895706192 FAGUOVHMWSVFAV-QGZVFWFLSA-N 324.396 1.782 10 10 DDCE C[C@@H](NC(=O)N(C)CCCO)c1ccc(N2CCOCC2)cc1 799560788 NZQIJFFHYGMAPK-CQSZACIVSA-N 321.421 1.608 10 10 DDCE CN1CCC(N(C)Cc2ccc(N3CCNCC3)cc2)CC1 84857393 UATOKTXKXLEDNO-UHFFFAOYSA-N 302.466 1.622 10 10 DDCE C[C@H](NC(=O)C(=O)N1CC(C)(F)C1)c1ccc(N(C)C)cc1 1325141629 LLVANYREQZFHOU-NSHDSACASA-N 307.369 1.500 10 10 DDCE C[C@H]1CS(=O)(=O)C[C@H]1Nc1c(N)cccc1Br 711676920 XOMTUDWOJAUMSM-OIBJUYFYSA-N 319.224 1.876 10 10 DDCE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)[C@H](CN=[N+]=[N-])C(N)=O 698402728 AKOLHGKXGGMAIC-VHSXEESVSA-N 313.358 1.567 10 10 DDCE CN(C(=O)/C=C/c1cnn(C)c1)c1ccc(C(F)(F)F)nn1 1519912127 BNICKKVIGKHQDR-ZZXKWVIFSA-N 311.267 1.905 10 10 DDCE COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cc1ccc(O)c(O)c1)C2 1299181407 BKPJVWPXWSWHPO-FRRDWIJNSA-N 319.357 1.440 10 10 DDCE COc1ccc(CNC(=O)c2cc(=O)c(OC)c[nH]2)c(O)c1 1296967730 FBVJSRGXSZKJCE-UHFFFAOYSA-N 304.302 1.028 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1 1545816160 AYZQYAWTVINDFL-GFCCVEGCSA-N 315.333 1.296 10 10 DDCE CC(=O)NCC[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 1558992701 HFBRTXYJAHBPLT-LLVKDONJSA-N 324.352 1.615 10 10 DDCE O=C(NC[C@@H](O)Cc1cccc(F)c1)c1cccc(O)c1O 1628609347 BTFYRMIJPVZARV-LBPRGKRZSA-N 305.305 1.570 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H](CO)[C@H]2CCCOC2)cc1 1639147831 NQXYTZAMFBBRBY-AAEUAGOBSA-N 320.349 1.366 10 10 DDCE Cc1cccnc1NC(=O)CCNC(=O)c1cccc(O)c1O 1570120513 ORQSVIXGQDHKFY-UHFFFAOYSA-N 315.329 1.560 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]1(C)CCNC1=O 1587551758 CDUKUOMOGBIOIA-SFHVURJKSA-N 315.417 1.771 10 10 DDCE COCCN1CCN(Cc2cc3c(cc2O)CCC3)CC1=O 160841601 JAHBEFADLRINDF-UHFFFAOYSA-N 304.390 1.172 10 10 DDCE OCCN(c1ccc(CO)c(Br)c1)C1COC1 1915657924 UYFOTPWPBSASKY-UHFFFAOYSA-N 302.168 1.139 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)N1CCCC[C@@H]1CO 2157770448 VQOSBWVQIWMWFL-SECBINFHSA-N 320.798 1.549 10 10 DDCE NC(=O)[C@H]1CC[C@@H](NCc2cccc(Br)c2O)C1 2029527463 ZXZJZWJDGUUJLF-WCBMZHEXSA-N 313.195 1.898 10 10 DDCE CCOc1cccc(CN[C@@H](C)[C@@H](C)S(C)(=O)=O)c1O 2170597346 ODVZHPRROVILFG-WDEREUQCSA-N 301.408 1.702 10 10 DDCE CC(CO)(CO)NCc1cc(Cl)cc(Br)c1O 708098307 HOZGIBGGBKEURN-UHFFFAOYSA-N 324.602 1.641 10 10 DDCE CCNC(=O)c1cnn([C@H](C)c2cc(OC)ccc2O)c1O 2070485882 ZIWVWTKROYMECY-SECBINFHSA-N 305.334 1.662 10 10 DDCE COC[C@@H]1CC[C@H](Sc2nccs2)C[C@@]1(N)C(=O)OC 2183649982 HPYKDVGQULBNQW-KWBADKCTSA-N 316.448 1.921 10 10 DDCE Oc1cccc(Br)c1CN1CCN[C@H]2COC[C@H]21 2068834377 XHHSKQPWUBQSFJ-NWDGAFQWSA-N 313.195 1.327 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CCSC3)c(Br)cc21 2303472061 QBZGEPVQINSYDQ-JTQLQIEISA-N 314.208 1.912 10 10 DDCE COC[C@@H](O)CCNCc1ccc(C)c(Br)c1O 2327624627 SYWXWKXHTQNXJR-NSHDSACASA-N 318.211 1.950 10 10 DDCE CC1(C)C=C(O)[C@H](C2(O)C(=O)c3ccccc3C2=O)C(=O)C1 105624218 GYSDYAJVCYHQQU-ZDUSSCGKSA-N 300.310 1.854 10 10 DDCE CC(=O)N(C(=O)C(=O)Nc1ccc(O)cc1)c1ccc(N)cc1 170318089 VCEDDXKBYBQQOR-UHFFFAOYSA-N 313.313 1.493 10 10 DDCE C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[C@H]1O 302408033 HGLMNCWRYKXHCP-QPUJVOFHSA-N 307.306 1.133 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H](OC)CN2)cc1F 187949000 VKEHKUAYAGRFEU-DZGCQCFKSA-N 323.412 1.665 10 10 DDCE C[C@@H](NCCCOCCO)c1ccc(N2CCC(O)CC2)cc1 180238316 MIHPJSJALXZCNO-OAHLLOKOSA-N 322.449 1.697 10 10 DDCE COc1ccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(O)c1 180235929 OZUUTFBGJUHFHF-CJNGLKHVSA-N 306.406 1.553 10 10 DDCE COC(=O)COc1ccc(N(C)CC(=O)NC(C)(C)C)cc1 183789872 ONQSSAXMRRZYTO-UHFFFAOYSA-N 308.378 1.589 10 10 DDCE Cc1cc(N(C)[C@@H]2CCS(=O)(=O)C2)ccc1/C=C\C(=O)O 220154918 AILVHOZAOAWGHN-KXQLTZBTSA-N 309.387 1.716 10 10 DDCE CN(C[C@@H]1Cc2ccccc2CO1)C(=O)c1cc(O)nc(O)c1 238901521 RNSHLTUNGWMITQ-AWEZNQCLSA-N 314.341 1.706 10 10 DDCE CCOc1ccc(-c2nnc(SCC(=O)C(C)=O)n2N)cc1 289706575 RIHAFNCZFVSPPN-UHFFFAOYSA-N 320.374 1.308 10 10 DDCE COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@@H](C)c2ccccc2O)C1 827985886 NPJYVXGFOYRLOB-RWMBFGLXSA-N 321.373 1.928 10 10 DDCE C[C@H]1C(=O)N(C)CN1C(=O)NCCCSc1nccs1 826692662 JQQDRFDMSZLIBC-VIFPVBQESA-N 314.436 1.455 10 10 DDCE C[C@@H]1C[C@H](NC[C@]2(CO)COCCN2C)c2c(O)ccc(F)c21 903280861 NZCSRVHEQKJEDW-ZUCKAHLUSA-N 324.396 1.362 10 10 DDCE Cc1ccc(O)c(CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 843426367 UZNAEUBNEVXDTA-HNNXBMFYSA-N 311.403 1.090 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1O 844430690 CUMIOFYXTFFLQJ-JOOBJXAISA-N 313.806 1.953 10 10 DDCE COC(=O)CC1CC(NC(=O)NCc2c(O)cccc2F)C1 924942418 VXSHKTWXRCXVDI-UHFFFAOYSA-N 310.325 1.672 10 10 DDCE CCOC(=O)CN1C(=O)/C(=C\c2cnnn2C)c2ccccc21 755607200 UEODLDHWYQUPEY-JYRVWZFOSA-N 312.329 1.265 10 10 DDCE CCOCC(=O)NCc1cc(NC(=O)COCC)ccc1O 923125587 GTNFKFHOMKBEII-UHFFFAOYSA-N 310.350 1.020 10 10 DDCE O=C(NCc1noc2c1COCC2)NCc1c(O)cccc1F 927891020 COQIMLALBFXAGP-UHFFFAOYSA-N 321.308 1.591 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC[C@@H]2COCCN2C)c1 858523032 LIBBXPYWEIBINV-WCQYABFASA-N 308.378 1.160 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C(C)(C)OC(C)=O)C2)cc1 855228209 XHQUDILXCRNXKQ-CYBMUJFWSA-N 320.389 1.732 10 10 DDCE NC(=O)C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 862534334 AAFZJKHLPHVCCP-MRVPVSSYSA-N 302.733 1.261 10 10 DDCE Nc1ccc(NC(=O)C(=O)N[C@@H](C2CCC2)[C@@H]2CCOC2)cc1 868300302 GUHHYFYFUHVUGU-DOMZBBRYSA-N 317.389 1.529 10 10 DDCE Cc1nc(N)nc(N(C)Cc2ccc(N3CCOCC3)cc2)n1 865417964 FIDOICCASNECOF-UHFFFAOYSA-N 314.393 1.235 10 10 DDCE CC(=O)OCCCS(=O)(=O)N[C@@H](C)c1ccccc1O 867836089 DSAQEEHLZCINDO-JTQLQIEISA-N 301.364 1.326 10 10 DDCE Oc1cccc(Br)c1CN1CCOC[C@@H](O)C1 862383239 NWPNXCFGASFWLK-VIFPVBQESA-N 302.168 1.348 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)NCC2(C)CCC2)cc1 1117416823 DYGQFOBXLXZZAP-UHFFFAOYSA-N 303.406 1.675 10 10 DDCE CN(C)c1ccc(CNC(=O)Nc2nccc(N(C)C)n2)cc1 779347168 ILHXDWLRYCAOCP-UHFFFAOYSA-N 314.393 1.930 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@@H]1CC(c2cccnc2)=NO1 1142534079 ZDPVZDIRKCIMDO-HNNXBMFYSA-N 313.313 1.302 10 10 DDCE CCOC(=O)[C@@H]1CNCCN1Cc1cc(OCC)ccc1O 1349318138 HBRRWGIZBGBMEW-AWEZNQCLSA-N 308.378 1.128 10 10 DDCE CCC(CC)N1C[C@@H](C(=O)NCc2c(O)cccc2O)CC1=O 1304050174 JSSWPGYRMOUQPW-NSHDSACASA-N 320.389 1.751 10 10 DDCE CC(C)(C)OC(=O)N[C@H](C(=O)NCCN=[N+]=[N-])C(C)(C)O 1887260270 RDGHLBSGXIARIV-MRVPVSSYSA-N 301.347 1.077 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](CNCc2ccccc2O)[C@@H](O)C1 702760611 FAQCJZGTVZNDMA-ZFWWWQNUSA-N 322.405 1.710 10 10 DDCE CC1(CNC(=O)C(=O)N2Cc3cccc(O)c3C2)CC(F)(F)C1 1338839052 UEGIFNHFPLFICW-UHFFFAOYSA-N 324.327 1.786 10 10 DDCE COC[C@](C)(CCO)NCc1cc(F)c(N(C)C)cc1F 1334890416 KQIDLNGEEKDUTJ-HNNXBMFYSA-N 302.365 1.908 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H](O)C[C@H]2CO)cc1Br 698227799 KOCMJHXIHCQAGB-DVVUODLYSA-N 315.211 1.401 10 10 DDCE C[C@@H](CNC(=O)C1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1526326264 YDPLYHZNGBLPGC-VIFPVBQESA-N 317.349 1.494 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](O)[C@H](CO)C1 1469083998 POCOTWHYKXXASA-VHSXEESVSA-N 323.370 1.128 10 10 DDCE CNC(=O)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C 1618185664 TWJPFKSJEHSOMY-NSHDSACASA-N 305.338 1.349 10 10 DDCE CC(C)(C)OC(=O)NOCC(=O)NCc1ccc(O)cc1O 1570463080 GJYPUWNZAFCRAA-UHFFFAOYSA-N 312.322 1.170 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@@H]1C[C@H]1CCCO1 1598215036 KDEYNHBTLIRYIJ-UONOGXRCSA-N 321.373 1.437 10 10 DDCE CCO[C@H]1C[C@H]1C(=O)N(C)CCNCc1ccc(OC)c(C)c1 1691267871 SECOJIPANIDMEF-WBVHZDCISA-N 320.433 1.977 10 10 DDCE COCCNCc1ccc(N(C)C[C@H](O)COC)c(Cl)c1 164014469 GZMRRLUTCVFKJQ-ZDUSSCGKSA-N 316.829 1.520 10 10 DDCE Nc1ccc(CC(=O)NCCN2C(=O)Cc3ccccc32)cc1 152710659 XXGORYJDYLLUKS-UHFFFAOYSA-N 309.369 1.517 10 10 DDCE CC[C@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CCS1 157482819 SWUFWRRFMCXIBA-RYUDHWBXSA-N 310.419 1.322 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN(C(=O)[C@H]2CCCCS2(=O)=O)C1 1912189313 VOLWULFHFKTFII-GHMZBOCLSA-N 300.384 1.503 10 10 DDCE CC(C)(C)OC(=O)N[C@@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC1(C)C 1980371507 WLDKMJJWFNIITG-CZIZLABSSA-N 324.421 1.945 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl 2144166739 KNXFTWLIAZZBSM-MXWKQRLJSA-N 315.822 1.874 10 10 DDCE 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DDCE Cc1ccc(-n2c(C)ccc2C)c(C(=O)NC[C@@H](O)CO)c1 1304473774 ZFYZESGNJJBTJW-CQSZACIVSA-N 302.374 1.486 10 10 DDCE O=C(C[C@@H]1NC(=O)c2ccccc21)NCc1ccc(O)c(O)c1 1294870009 IUBQPYPPBIUFSZ-ZDUSSCGKSA-N 312.325 1.589 10 10 DDCE CC(C)c1nnc(CCC(=O)NCc2ccc(O)cc2O)o1 1299574972 UZHBYCOHVQBREC-UHFFFAOYSA-N 305.334 1.853 10 10 DDCE Cn1cc(-c2n[nH]cc2C(=O)NCc2c(O)cccc2F)cn1 1471976320 WKJUYYQHILIMLM-UHFFFAOYSA-N 315.308 1.585 10 10 DDCE CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1543409259 AQQABWCDYLBBQI-SNVBAGLBSA-N 319.365 1.884 10 10 DDCE Cn1cc(-c2ncccc2C(=O)NCc2ccc(O)c(O)c2)cn1 1622642941 FPYKAEBQMIXCFQ-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1=C[S@](=O)CCC1 1632680866 HDDXEXVKNZLGDT-CHNSCGDPSA-N 309.387 1.571 10 10 DDCE Nc1nc(C2CC2)ncc1C(=O)NCc1cccc(O)c1O 1643813015 WFLVAIYKWJYPAH-UHFFFAOYSA-N 300.318 1.277 10 10 DDCE COCCCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1665235812 YDNWXDLPNUPYLL-UHFFFAOYSA-N 319.365 1.300 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)CC(C)C)cc1C 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1.157 10 10 DDCE CN(C)[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1cscn1 2062359288 ZSSYLFJZWGAFLJ-CQSZACIVSA-N 303.387 1.994 10 10 DDCE CN(CC1(S(C)(=O)=O)CCC1)c1ccc(CO)cc1F 2167827195 YTNUUTYJXABWCJ-UHFFFAOYSA-N 301.383 1.722 10 10 DDCE NCc1ccc(N2CCC[C@@H]2[C@@H](O)CO)cc1Br 2059281484 ZCOXHSUDEYMCBG-OLZOCXBDSA-N 315.211 1.230 10 10 DDCE C[C@H](NC(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1)S(C)(=O)=O 2203121472 NFUAKOJNTKUYLL-ZJUUUORDSA-N 303.388 1.499 10 10 DDCE CN(C)c1ccc([C@@](C)(N)c2nn(C)nc2Br)cc1 2227474523 UPFHXCILORCLES-CYBMUJFWSA-N 324.226 1.866 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@@]2(C)C(=O)O)s1 2269131870 AFAIQAZWSGTCHY-NSHDSACASA-N 301.393 1.624 10 10 DDCE CNC(=O)CN1C(=O)C(=Cc2ccc(OC)cc2)SC1=S 2297500800 IJBUJSJYUUOURB-UHFFFAOYSA-N 322.411 1.642 10 10 DDCE O=C1CSC(=S)N1NS(=O)(=O)c1ccc(Cl)cc1 3079151 HBVBTPPIKFJYQG-UHFFFAOYSA-N 322.820 1.394 10 10 DDCE COc1ccc(N2CCN(C(=O)Cc3ccn(C)n3)CC2)cc1 180761851 BAIBVMQRSIYWCK-UHFFFAOYSA-N 314.389 1.320 10 10 DDCE COC[C@H](O)CN1CCC(N[C@H](C)c2cc(C)ccc2O)CC1 186194469 YXEWILHSMXYQQH-GDBMZVCRSA-N 322.449 1.823 10 10 DDCE CC(C)S(=O)(=O)N(C)Nc1nc2c(s1)[C@H]1CC[C@@H](C2)N1 2365288790 PXBQRZSVCPFSPW-DTWKUNHWSA-N 316.452 1.489 10 10 DDCE COC(=O)[C@H]1C[C@H](O)CN1Cc1ccc(N2CCCCC2)cc1 188612430 ARSWSCYPKVWIEO-DLBZAZTESA-N 318.417 1.785 10 10 DDCE CCN[C@H]1C(=O)Nc2cc(N3CCC[C@@H](O)C3)c(Cl)cc21 221195613 XLXYTONQSNDQEU-YMTOWFKASA-N 309.797 1.904 10 10 DDCE COC[C@@H](O)CN(C)c1cc(Br)c(CN)cc1F 380779330 WEUBMQGQYKZHRH-VIFPVBQESA-N 321.190 1.490 10 10 DDCE Cc1cc(Cl)cc(CN2CCC[C@]3(C2)NC(=O)NC3=O)c1O 193467100 OHKMMGRSIWDICO-OAHLLOKOSA-N 323.780 1.528 10 10 DDCE C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[S@](=O)C1 365442689 LAAIFWSTZYDFDB-NYHFZMIOSA-N 322.474 1.724 10 10 DDCE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NCc1cc(F)ccc1O 800540727 BGNVXEICYXNGFV-MFKMUULPSA-N 316.398 1.339 10 10 DDCE COC(=O)CCCCNC(=O)NCc1ccc(N(C)C)cc1 299288372 RULWCGVSSUAKHI-UHFFFAOYSA-N 307.394 1.895 10 10 DDCE CC(=O)C(=O)COC(=O)C1CCN(C(=O)OCC(C)C)CC1 808511855 BEJJXLDVZHBOPG-UHFFFAOYSA-N 313.350 1.192 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CCN(c2ccccc2Cl)C1 811414506 GCBICFWIERMCLQ-NSHDSACASA-N 309.749 1.868 10 10 DDCE COc1ccc(N2CCN(CC[C@H]3CCNC3=O)CC2)cc1 821385374 BZAGSCIGLMMSCD-CQSZACIVSA-N 303.406 1.343 10 10 DDCE CCOc1ccc(O)c(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c1 827544672 HXPRGEFWUSAUGW-CQSZACIVSA-N 321.421 1.979 10 10 DDCE Cc1cc(O)c(CN2CC(n3cc(C(N)=O)nn3)C2)cc1Cl 826113111 IMEOSVOKYZWYDX-UHFFFAOYSA-N 321.768 1.101 10 10 DDCE O=C(COC(=O)c1cn(CC2CC2)nn1)c1ccc(O)c(O)c1 838223104 VMEHEMJTJVVETJ-UHFFFAOYSA-N 317.301 1.139 10 10 DDCE CCN(CC)C(=O)CN(C)C(=O)/C=C\c1ccc(O)c(O)c1 588403791 PLCMWKJPTNGRTA-CLFYSBASSA-N 306.362 1.438 10 10 DDCE COC[C@@H]1C[C@@H](O)CN1Cc1cccc(Br)c1O 846048097 UVAKTBDBPWQCMV-WDEREUQCSA-N 316.195 1.736 10 10 DDCE CC1=C(C)C(=O)N(CCC(=O)N[C@@H](C)c2ccccc2O)C1=O 913763294 ABFMKCMYIXXRDJ-LBPRGKRZSA-N 316.357 1.665 10 10 DDCE CC[C@H]1NC(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O 849358278 UIILTBCZHQYYIX-TZMCWYRMSA-N 303.362 1.604 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnc(Br)c(C)c1 924068174 HQAYUCXUYSZQIZ-UHFFFAOYSA-N 300.108 1.467 10 10 DDCE Cc1ccc([C@@H](C)NCCCN2CCCS2(=O)=O)c(O)c1 756689973 WKISWMQGEIFLSQ-CYBMUJFWSA-N 312.435 1.777 10 10 DDCE CC(C)(CNC(=O)NCc1ccccc1O)C(=O)N1CCCC1 858901733 JMXWXZFFBZOXNL-UHFFFAOYSA-N 319.405 1.840 10 10 DDCE C[C@H](N[C@H]1CCNC1=O)c1cc(Br)cc(F)c1O 850481380 KAGCEFSXYKCHQQ-WKEGUHRASA-N 317.158 1.833 10 10 DDCE COc1ccc(O)c([C@@H](C)NC[C@]23COCCN2C(=O)OC3)c1 866521863 QMSVRQLDUUNTCB-BDJLRTHQSA-N 322.361 1.273 10 10 DDCE COCCn1ncc(C(=O)NCCc2ccc(O)c(O)c2)c1C 866757380 RQTJMLRKFXKNHN-UHFFFAOYSA-N 319.361 1.222 10 10 DDCE Cc1ccc(CN(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)o1 1118998490 JSFCGQPCIIQWAQ-UHFFFAOYSA-N 314.341 1.794 10 10 DDCE CCOC(=O)[C@H]1NC(=O)N([C@H](C)c2ccc(N(C)C)cc2)C1=O 761576114 LUIGMUVGLYPBRM-MFKMUULPSA-N 319.361 1.297 10 10 DDCE COc1ccc(O)c([C@H](C)NS(=O)(=O)[C@@H]2CCO[C@H]2C)c1 785495421 PMGCMGBXLNOYLZ-PKFCDNJMSA-N 315.391 1.559 10 10 DDCE COC[C@H](C)CNCCN1CCN(c2ccc(OC)cc2)CC1 783601493 PGGUUNIUVAKRDF-MRXNPFEDSA-N 321.465 1.689 10 10 DDCE CCN1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1=O 897691171 GVCQVGLWIUTBPA-VIFPVBQESA-N 320.370 1.663 10 10 DDCE C[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1F 1321920078 ASXXTFQTQQWEIM-IUODEOHRSA-N 321.396 1.575 10 10 DDCE COc1cc(S(=O)(=O)Nc2ccc(O)cc2N)sn1 717736679 PZGUDRUXPIOIRU-UHFFFAOYSA-N 301.349 1.240 10 10 DDCE C[C@H](CC(=O)NCCc1ccc(O)c(O)c1)c1cnn(C)c1 1445940671 VRXHOUQNCSALQZ-LLVKDONJSA-N 303.362 1.684 10 10 DDCE COC(=O)/C=C/c1ccc(C(=O)NCc2cc(O)ccc2O)o1 1455350271 BIGNZHUVASPNJU-QPJJXVBHSA-N 317.297 1.807 10 10 DDCE C[C@@H](CN(C)CCCN(C)C)NC(=O)Cc1ccc(O)c(O)c1 1470025634 HIXBCXRULKKVQX-ZDUSSCGKSA-N 323.437 1.029 10 10 DDCE C[C@H](CN1C(=O)CSC1=S)N1C(=O)CSC1=S 1615943972 KTSCQIHDIXMQLI-RXMQYKEDSA-N 306.459 1.096 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cccnc1-n1cncn1 1625527579 PZOFEGMQPBRBFW-UHFFFAOYSA-N 311.301 1.255 10 10 DDCE NS(=O)(=O)c1cc(NC(=O)c2cccc(O)c2O)cs1 1643937889 DPZGRRSPTFZGJN-UHFFFAOYSA-N 314.344 1.059 10 10 DDCE C[C@H]1CN(CCNC(=O)c2ccc(N=NC(N)=O)cc2)CCO1 1584317477 JIPGUDRBKKQOLM-NSHDSACASA-N 319.365 1.300 10 10 DDCE Cc1cc(C=O)c(O)c(C(=O)NCc2ccc(O)c(O)c2)c1 1595596088 PUEFEOQAAGKDBX-UHFFFAOYSA-N 301.298 1.854 10 10 DDCE NC(=O)[C@@H]1COCCN1c1ccc(/C=C/C(=O)O)cc1Cl 159024754 PENKYBMGRXZHNX-KMOQFTEPSA-N 310.737 1.128 10 10 DDCE CC(=O)CCN1C(=O)Cc2cc(N(C)CCC(=O)O)ccc21 259308123 CARQZDYZXKZBLE-UHFFFAOYSA-N 304.346 1.466 10 10 DDCE NC[C@@H]1COCCN1Cc1c(O)cccc1Br 1947625983 IXCKTDOVSVGIFG-SECBINFHSA-N 301.184 1.314 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2CN(C)C[C@H]2OC)c1O 2151797456 RKHQSDVAVCFBQS-WCQYABFASA-N 300.786 1.473 10 10 DDCE CN(Cc1ccc(N)cc1)C(=O)c1c(Br)nnn1C 311480036 QVQFQQXCZICFTM-UHFFFAOYSA-N 324.182 1.432 10 10 DDCE C[C@H](NCc1c(O)cccc1F)[C@H]1CCCS(=O)(=O)C1 2160773036 VGJRLIAEFZHYIC-QWRGUYRKSA-N 301.383 1.834 10 10 DDCE CN(C)C[C@H](O)CNCc1ccc(Br)cc1O 717308824 PXCMLXMPKLSXCD-LLVKDONJSA-N 303.200 1.167 10 10 DDCE O=C1Nc2cc(N3CC(O)(C(F)F)C3)c(Cl)cc2[C@@H]1O 2172115966 WNVQIAZJLHQXRE-VIFPVBQESA-N 304.680 1.142 10 10 DDCE NCc1cc(F)c(N2C[C@H]3COC[C@@H](C2)C3O)cc1Cl 2177388026 NJRIDOAZWNTXQC-XFLKPENQSA-N 300.761 1.381 10 10 DDCE Cc1cc(NS(=O)(=O)CCC(F)(F)C(=O)O)ccc1O 2178759423 AETAQINEJLYIFO-UHFFFAOYSA-N 309.290 1.552 10 10 DDCE NCc1cc(F)c(N2CCO[C@@H]3C[C@@H](O)C[C@@H]32)cc1Cl 2185303761 BWWYJRBTYRDRDJ-QCZZGDTMSA-N 300.761 1.666 10 10 DDCE CN(Cc1ncn(C)n1)c1ccc(CO)c(Br)c1 2058104400 JSLDHFQKSNWFQK-UHFFFAOYSA-N 311.183 1.706 10 10 DDCE OCc1ccc(N2CCC[C@@H]2[C@@H](O)CO)cc1Br 2059216398 HZZSOKKYRGHLBO-OLZOCXBDSA-N 316.195 1.263 10 10 DDCE Oc1cccc(Br)c1CN1CCN[C@H]2COC[C@@H]21 2068834378 XHHSKQPWUBQSFJ-RYUDHWBXSA-N 313.195 1.327 10 10 DDCE CN(C(=O)OC(C)(C)C)C1(COc2nnc(=N)[nH]n2)CCCC1 2210651467 JALUGIKRIVQAIP-UHFFFAOYSA-N 324.385 1.238 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2C[C@@H]3OCCN[C@@H]3C2)s1 2284493951 HQBQKLGFSVKFLQ-IEBDPFPHSA-N 313.448 1.248 10 10 DDCE COc1cc(OC)c(N2CCC(N)(CO)CC2)cc1Cl 2285851192 OWNMWFPWSFUCQM-UHFFFAOYSA-N 300.786 1.647 10 10 DDCE COC(=O)C1=C(C)NC(=O)C1=Cc1ccc(OC)cc1OC 2297307998 HJSVRSJPOSDYBT-UHFFFAOYSA-N 303.314 1.664 10 10 DDCE Nc1ccc(N(C(=O)C(=O)N2CCNCC2)c2ccccc2)cc1 170319336 QKTWWQVVQWFJST-UHFFFAOYSA-N 324.384 1.365 10 10 DDCE CC[C@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)CCO1 70490635 BTYRSFCTYAHBDE-ZDUSSCGKSA-N 314.407 1.088 10 10 DDCE COCCNC(=O)[C@H](C)NCc1cc(Cl)cc(OC)c1O 229054155 OGMCRUFSBXHXGZ-VIFPVBQESA-N 316.785 1.295 10 10 DDCE CC[C@H]1NC(=O)N(Cc2ccc(N3CCOCC3)cc2)C1=O 272359597 YNASCJDHZWRWIL-CQSZACIVSA-N 303.362 1.354 10 10 DDCE CS(=O)(=O)NCC1CCN(Cc2cc(F)ccc2O)CC1 289105748 CLZXXSNQNQEFAI-UHFFFAOYSA-N 316.398 1.293 10 10 DDCE CC(F)(F)[C@@H]1C[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2164452253 PPWDFPAXPJMNJX-ZYHUDNBSSA-N 304.362 1.980 10 10 DDCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1CO 588528889 BNVAVRBCKNCYDO-CTEOGUNLSA-N 316.401 1.520 10 10 DDCE C[C@H]1C[C@H](N(C)C(=O)NCCc2ccc(N)cc2)CCN1C 841955077 UJQCODDGYJBURW-XJKSGUPXSA-N 304.438 1.935 10 10 DDCE COCC[C@@H]1CCCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 841090154 WNBYNBMDRAUXGW-ZDUSSCGKSA-N 319.405 1.873 10 10 DDCE CCNC(=O)CCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855231346 VQMXVQAMPIZHGE-ZDUSSCGKSA-N 319.405 1.306 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CCn3ccnn3)C2)cc1 855223783 HXDDWVLWSKPVDM-CYBMUJFWSA-N 315.377 1.072 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C)[C@H](C)OC)C2)cc1 852347270 YOSLRHJKBVCEOK-HZSPNIEDSA-N 321.421 1.997 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCN[C@H]3C)C2)cc1 861703895 WJEFPLWCJTZOGE-WOSRLPQWSA-N 318.421 1.324 10 10 DDCE CN(C)C[C@@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc2O1 760816367 CTBKEUUFXPXGGI-MVGZEHJDSA-N 324.384 1.846 10 10 DDCE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1ccccc1O 779032662 HACNMNYJGYGADM-QHSBEEBCSA-N 319.357 1.317 10 10 DDCE COC[C@@H](NCc1cc2c(cc1O)OCO2)[C@H]1CCCOC1 886360311 UGHYJJJKMCKMFF-WCQYABFASA-N 309.362 1.652 10 10 DDCE C[C@H](NS(=O)(=O)[C@@H]1CCO[C@H]1C)c1ccc(N(C)C)cc1 785518448 PCGVZMMCAHSHFU-SLEUVZQESA-N 312.435 1.910 10 10 DDCE Cn1c(O)nnc1CNCc1cc(Br)ccc1O 692213194 FZQUYFVMHWAAEG-UHFFFAOYSA-N 313.155 1.279 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)C=C(C)C)cc1C 1320185510 IERBARCJKKJTTM-OAHLLOKOSA-N 306.406 1.537 10 10 DDCE COc1ccc([C@H](C)N(C)[C@@H](C)CS(C)(=O)=O)c(O)c1 688542737 JBUNICRPWJXDPK-QWRGUYRKSA-N 301.408 1.827 10 10 DDCE C[C@@H]1C[C@H]1CNC(=O)C(=O)NCCCSc1nccs1 1258429113 YZJPCINWBGERRQ-ZJUUUORDSA-N 313.448 1.514 10 10 DDCE CN1CCN(c2ccc(CN)cc2Br)[C@@H](CO)C1 699480009 UVXIKOPNADRZNP-LLVKDONJSA-N 314.227 1.021 10 10 DDCE O=C(CNc1ccccc1[N+](=O)[O-])NCc1ccc(O)cc1O 1626837777 FAERYYBQSRVEMU-UHFFFAOYSA-N 317.301 1.734 10 10 DDCE CCN(CC)C(=O)CCCC(=O)NCc1cc(O)ccc1O 1637125938 ICGMCYWIYDWCDX-UHFFFAOYSA-N 308.378 1.753 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ncoc1-c1ccon1 1639292981 YNFAGWPLMZZUKH-UHFFFAOYSA-N 301.258 1.671 10 10 DDCE CSC[C@@](C)(O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1634267882 FINSEUYHWLYSNV-ZDUSSCGKSA-N 310.379 1.693 10 10 DDCE O=C(CCc1nc2cccnc2[nH]1)NCc1ccc(O)cc1O 1639444388 KCWNBNUIGQMOGR-UHFFFAOYSA-N 312.329 1.618 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccn(Cc2ccccn2)n1 1584499330 JPZHBUPYZRHCBX-UHFFFAOYSA-N 324.340 1.919 10 10 DDCE CCN(CCCO)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 1772833524 NMIJCQLKQCMOGM-VURMDHGXSA-N 308.334 1.990 10 10 DDCE [N-]=[N+]=NCC1CCN(CCCN2CCCS2(=O)=O)CC1 1912144564 VHPZSJWXFASKAB-UHFFFAOYSA-N 301.416 1.434 10 10 DDCE OC[C@H]1CO[C@H](CNCc2c(O)cccc2Br)C1 1967896734 XWZWUGUOMXVATB-UWVGGRQHSA-N 316.195 1.642 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H]1Cc1ccc(O)c(O)c1 1952465711 OZUJAQTXNAIEGD-RYUDHWBXSA-N 308.378 1.977 10 10 DDCE C[C@@H](CNC(=O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C 1977688014 WEZRJLOVVRCYKY-NSHDSACASA-N 323.393 1.677 10 10 DDCE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)NCCCCN=[N+]=[N-] 1985099351 MDIIAVWQNBQJML-UHFFFAOYSA-N 323.357 1.999 10 10 DDCE CS(=O)(=O)c1sccc1CNCc1cccc(O)c1O 2150478536 LNVHDRCHUJUYNI-UHFFFAOYSA-N 313.400 1.853 10 10 DDCE CCNCc1ccc(OCCN(C)S(C)(=O)=O)c(C)c1 2155012738 CGGNONZGMQQDJC-UHFFFAOYSA-N 300.424 1.375 10 10 DDCE CN(c1ccc(CN)c(F)c1F)C1CCS(=O)(=O)CC1 694204271 GVOWFSVOEPKQGS-UHFFFAOYSA-N 304.362 1.437 10 10 DDCE CN(Cc1cc(F)ccc1O)C[C@@H]1CCCCS1(=O)=O 694399120 PKUCLUYJOHZHJS-ZDUSSCGKSA-N 301.383 1.930 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3C[C@H](C)O[C@H](C4CC4)C3)c2n1 2064246922 YOAKYJLQHJOVEB-GWCFXTLKSA-N 316.361 1.383 10 10 DDCE OC[C@]1(NCc2cc(Br)cc(F)c2O)C[C@@H](O)C1 2076633179 WAQFHPBLYTXIHG-WVSHTKLVSA-N 320.158 1.269 10 10 DDCE CN(C[C@H](O)[C@H](N)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 2244719903 HWOACXFWTVZCSF-LSDHHAIUSA-N 323.437 1.980 10 10 DDCE CCCCN(C)S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 133739909 FOKAEPZNRWCCJW-UHFFFAOYSA-N 303.340 1.689 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)NC[C@@]2(C)CC2(C)C)cc1 1353637684 LCYZXKXUTBTOCW-GOSISDBHSA-N 317.433 1.921 10 10 DDCE CC(C)(C)NS(=O)(=O)Nc1ccnn1-c1ccc(N)cc1 126119842 RMPNEWBAKNBJQH-UHFFFAOYSA-N 309.395 1.499 10 10 DDCE C[C@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 77787231 RPFIBAHLFMJJAD-ZIAGYGMSSA-N 321.421 1.339 10 10 DDCE CO[C@@H]1CN[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 189273192 HNOCMJICXBTSRF-SWLSCSKDSA-N 304.390 1.264 10 10 DDCE CN(C)CCOCCNCc1cccc(Br)c1O 226744623 CDSAVIXVMRSGHX-UHFFFAOYSA-N 317.227 1.823 10 10 DDCE CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(N)cc2)C1 62460483 YQCMGOIFMQIVKK-GFCCVEGCSA-N 305.378 1.482 10 10 DDCE CCN[C@@H]1C(=O)Nc2cc(N3CCC[C@H](O)C3)c(Cl)cc21 92750819 XLXYTONQSNDQEU-XPTSAGLGSA-N 309.797 1.904 10 10 DDCE C[C@H]1CO[C@H](C)CN1S(=O)(=O)N(C)Cc1ccccc1O 246087920 JCUKDSPLPLNKIN-NWDGAFQWSA-N 314.407 1.178 10 10 DDCE CC(=O)c1cc(F)cc(CN2CC(F)(F)C[C@H]2CO)c1O 368795357 FROHVLCEGKOYDP-NSHDSACASA-N 303.280 1.936 10 10 DDCE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NCc1ccc2c(c1)CCO2 800309699 MQIKVOZKOJGNNN-CABCVRRESA-N 324.446 1.429 10 10 DDCE CC(=O)C(=O)COC(=O)c1csc(Nc2ccccn2)n1 808519093 MKOGRZUVWUJFAF-UHFFFAOYSA-N 305.315 1.597 10 10 DDCE C[C@H](NC(=O)C[C@]1(O)CCCN(C)C1)c1ccc(N(C)C)cc1 907493274 PXULIRDIJBJWMO-KBXCAEBGSA-N 319.449 1.777 10 10 DDCE C/C=C/[C@H](O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 901175415 LCMHYSJUVNAZSY-BPCUBCKBSA-N 305.374 1.837 10 10 DDCE CO[C@@]1(CN[C@@H](C)c2ccc(C)cc2O)CCS(=O)(=O)C1 903365333 MBZNETWKVATEQB-SWLSCSKDSA-N 313.419 1.555 10 10 DDCE CN(C)c1ccc([C@@H](N)CNCC2C[C@@H]3CC[C@H](C2)N3)cc1 903917074 KOEIWBREFQTXDM-NZZOQPFGSA-N 302.466 1.873 10 10 DDCE C[C@@H](CN1CCCC1=O)NC(=O)NCc1c(O)cccc1F 914275699 CVIPAIKVXGQMSJ-JTQLQIEISA-N 309.341 1.341 10 10 DDCE CO[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)[C@H]1CCOC1 830560015 ZZTZOBFCPPWUMO-SUMWQHHRSA-N 319.401 1.939 10 10 DDCE CO[C@H](CS(=O)(=O)NCc1cc(Cl)ccc1O)C1CC1 845995915 ISHJYSHNZGSXFX-CYBMUJFWSA-N 319.810 1.890 10 10 DDCE CCN(CC)CC[C@@H](CO)NC(=O)/C=C\c1ccc(O)c(O)c1 848025399 SSEZZONLMVLQJX-QPBFKRLHSA-N 322.405 1.320 10 10 DDCE Nc1ccc(CCNC(=O)NCCOc2ncccc2F)cc1 841862684 DHEUBCJWASZXIE-UHFFFAOYSA-N 318.352 1.724 10 10 DDCE C/C=C/[C@H](O)C(=O)N(CC(=O)OCC)Cc1ccccc1O 911304022 SNAXDOKADYVILL-RRFAQUSLSA-N 307.346 1.221 10 10 DDCE C[C@@H](Cc1cnn(C)c1)NC(=O)NCc1c(O)cccc1F 922747126 CQXFDOPABSYPGN-JTQLQIEISA-N 306.341 1.695 10 10 DDCE C[C@@H](N[C@H]1CNOC1)c1cc(Br)cc(F)c1O 925869549 MTRUPFUJLMKGBE-SVRRBLITSA-N 305.147 1.848 10 10 DDCE CO[C@@H]1CC[C@@H](C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1 852791162 DIMBAQOQNYDSGQ-BMFZPTHFSA-N 305.422 1.684 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)ncn3)C2)cc1 855233297 FTGWLLFDKHWKOY-CYBMUJFWSA-N 312.373 1.802 10 10 DDCE COc1ccc(N(C)CCN(C)CCO[C@H]2CCOC2)cc1 930850891 ZJSOUNRQCSHGDH-KRWDZBQOSA-N 308.422 1.869 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)CC1CS(=O)(=O)C1 865903773 GPCPXMKLRKQDDN-UHFFFAOYSA-N 310.419 1.112 10 10 DDCE CCN(CC)c1ccc(CNC(=O)N2CC(=O)N(C)C2)cc1 765227603 DHFXTLZADUDACI-UHFFFAOYSA-N 304.394 1.474 10 10 DDCE COC(=O)[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccn(C)n1 787438273 LUJOEZQVJFOIGI-OAHLLOKOSA-N 320.368 1.629 10 10 DDCE COC(=O)c1c(CNCC(C)(C)O)c2cc(F)ccc2n1C 894259890 HVQZGZIHKNQBNC-UHFFFAOYSA-N 308.353 1.965 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)CCC(=O)NC1 798440575 CEKZQQSPRSAOCZ-QGZVFWFLSA-N 303.406 1.594 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1137443095 BSASFFRPPNGUCV-SGTLLEGYSA-N 324.336 1.624 10 10 DDCE C[C@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC(=O)N1C 799974819 FSFHKNQYNHTIRU-QWHCGFSZSA-N 318.421 1.686 10 10 DDCE O=C(NCc1cccc(Cl)c1O)c1ccn2nnnc2c1 1305085434 YZXXYCXLFLEQJT-UHFFFAOYSA-N 303.709 1.413 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2[nH]cnc2C)cc1C 1317670599 AYNKYGCBBGGTNC-UHFFFAOYSA-N 316.405 1.897 10 10 DDCE COC[C@@H](CC(=O)NCCN=[N+]=[N-])NC(=O)OC(C)(C)C 1885556528 BJDVJNKMCFVQNZ-SECBINFHSA-N 301.347 1.343 10 10 DDCE COc1cccc(CNC(=O)NCc2cccnc2O)c1O 1313101638 AOTLAAIRWXSCBM-UHFFFAOYSA-N 303.318 1.501 10 10 DDCE C[S@](=O)c1ccc(C(=O)NCc2cc(O)ccc2O)cc1 1176748597 XJEUROCGCGAMOG-NRFANRHFSA-N 305.355 1.765 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@H]2COC[C@@H]2O)cc1Br 708719959 KGLMHMKYLYJNFW-HJIKLVIJSA-N 316.195 1.698 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1[C@H]2CCC[C@H]21 1347309753 FZLMOZIFCIOXGT-MUJYYYPQSA-N 315.417 1.626 10 10 DDCE O=C(CNC(=O)CC1CCCC1)NCc1cccc(O)c1O 1352658576 VUQSHGVJAJVNGG-UHFFFAOYSA-N 306.362 1.411 10 10 DDCE O=C(c1cc(Cn2cccn2)on1)N1Cc2cccc(O)c2C1 1455037448 RQHACRBACDCFFS-UHFFFAOYSA-N 310.313 1.781 10 10 DDCE Cc1ccc(C[C@H](CO)NC(=O)Cc2ccc(O)c(O)c2)cc1 1625233009 HOKXQDIARZPFRV-OAHLLOKOSA-N 315.369 1.669 10 10 DDCE CN(C)c1ccc(CN2CCC(O)(c3ncnn3C)CC2)cc1 1620549411 AWOZBCNFKKTSJT-UHFFFAOYSA-N 315.421 1.365 10 10 DDCE CC(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C1(CO)CCC1 1641491827 GOOVQYPSJKNXSV-INIZCTEOSA-N 307.390 1.944 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 1772911514 GFYSBIZDFAWHRX-FJYXQWIHSA-N 320.345 1.988 10 10 DDCE CCOC(=O)CC[C@@H]1CCCN1C(=O)c1cc(O)c(O)c(O)c1 1866303426 VVRCZKPFBQHCKC-NSHDSACASA-N 323.345 1.751 10 10 DDCE CNC(=S)N[C@@H]1CCCN(CCCOc2ccc(N)cc2)C1 586070241 HZAVPSDMHPANIQ-CQSZACIVSA-N 322.478 1.596 10 10 DDCE CC(C)(C)OC(=O)N1CC(NCc2ccc(N)cc2)(C(=O)O)C1 1913516326 PMGNYNUHKJRUHM-UHFFFAOYSA-N 321.377 1.433 10 10 DDCE Cn1nc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)cc1Br 1912195331 FKSRKBWNPSCUIR-SSDOTTSWSA-N 313.159 1.955 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc([C@@H]2CNC(=O)CN2)c(O)c1 1952418148 KIWRNGMFVHRLFS-NSHDSACASA-N 307.350 1.500 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CF)[C@@H](N)Cc1ccc(O)c(O)c1 1953012874 PPRXHEFCYWWZJH-WDEREUQCSA-N 314.357 1.830 10 10 DDCE O=S(=O)(NCCc1ccc(O)c(O)c1)c1ccc(Cl)o1 2152791632 MYBYABLJMDQRLT-UHFFFAOYSA-N 317.750 1.865 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@H]2CS(=O)(=O)C2(C)C)c(F)c1 2153845454 LYXPMPALJCVGBI-ZANVPECISA-N 301.383 1.891 10 10 DDCE Oc1cccc(Br)c1CNC[C@H](O)c1cnc[nH]1 2028280680 PLPAMAFNIAENDU-LBPRGKRZSA-N 312.167 1.701 10 10 DDCE O=S1(=O)C[C@H]2C(CNCc3ccc(F)c(F)c3O)[C@@H]2C1 2174618658 LKCUOSRLQHYEJL-UWVGGRQHSA-N 303.330 1.051 10 10 DDCE O=C1C[C@@H](NCc2cc(Br)cc(F)c2O)CCN1 2066258605 AJTWHULGJDPVSZ-VIFPVBQESA-N 317.158 1.662 10 10 DDCE C[C@@]1(O)CCN(c2ccc(CO)cc2Br)C[C@@H]1O 2077302114 KFRTWJRUEVCENL-QWHCGFSZSA-N 316.195 1.263 10 10 DDCE Oc1ccc(Br)cc1CNC[C@H]1Cc2nncn2C1 2111434521 PRHZQOXQSFXLMX-SECBINFHSA-N 323.194 1.708 10 10 DDCE COCCNCCCNCc1cc(Br)ccc1O 2256018111 WYQWDSGHKWUQPD-UHFFFAOYSA-N 317.227 1.870 10 10 DDCE CSc1ncc(Cn2c(O)nc(Cl)c(F)c2=O)s1 2257114766 HUAYHNIZJIXMKL-UHFFFAOYSA-N 307.759 1.968 10 10 DDCE O=S(=O)(O)CCCCN1CCc2cc(O)c(O)cc2C1 2366933896 YSSNRQLKZDHBKF-UHFFFAOYSA-N 301.364 1.124 10 10 DDCE O=C(Nc1cc(Br)ccn1)c1cc(O)nc(O)c1 227652593 ZLBPALXDZDVYIR-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE CCC[C@H](NC(N)=O)C(=O)NCc1ccc(N(CC)CC)cc1 144634101 MUFKRWCFDLCIAC-HNNXBMFYSA-N 320.437 1.986 10 10 DDCE COc1cccc(CNC(=O)Cn2ccc(C(F)F)n2)c1O 528862378 QFFWYNZBUSBJGF-UHFFFAOYSA-N 311.288 1.851 10 10 DDCE NS(=O)(=O)C[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1 271182267 MKLLWOFQPLSBDJ-SNVBAGLBSA-N 318.826 1.546 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CNCC2(O)Cc3ccccc3C2)c1 371700739 KLYKWSHVPZBORT-UHFFFAOYSA-N 314.341 1.920 10 10 DDCE NC[C@@H](N)c1cc([N+](=O)[O-])c(Br)c(Cl)c1O 390254352 VTZBRHSCXMCQRF-SCSAIBSYSA-N 310.535 1.675 10 10 DDCE [N-]=[N+]=NCCN[C@H](C(=O)O)c1sncc1Br 711826876 VHDKNUWALHSVJM-YFKPBYRVSA-N 306.145 1.931 10 10 DDCE C[C@H](N[C@@H]1CNCCC1(F)F)c1cc([N+](=O)[O-])ccc1O 817979850 FKCGUDFHVZGLGT-QPUJVOFHSA-N 301.293 1.948 10 10 DDCE C[C@@H](NCC1(S(N)(=O)=O)CCC1)c1cc(F)ccc1O 721575032 CMXTTWKMXVPNNT-SECBINFHSA-N 302.371 1.393 10 10 DDCE COC[C@](C)(O)CCNC(=O)NCc1ccc(N(C)C)cc1 836223778 XQUDZMHSWAVKBK-MRXNPFEDSA-N 309.410 1.339 10 10 DDCE COc1ccc(N2CC[C@H](N3C(=O)N[C@H](CF)C3=O)C2)cc1 849358521 XMADWINZMWPPPC-WCQYABFASA-N 307.325 1.164 10 10 DDCE CN(C[C@@H]1CCCN(C(=O)CN)C1)c1ccc2c(c1)OCO2 841011054 BINDTPHIXSFIKQ-LBPRGKRZSA-N 305.378 1.049 10 10 DDCE CCS(=O)(=O)C1CN(Cc2cc(Cl)cc(C)c2O)C1 841885939 HWRUGTCNKLKQFP-UHFFFAOYSA-N 303.811 1.973 10 10 DDCE Nc1ccc(NC(=O)C(=O)NCc2nccc3c2CCCC3)cc1 927838405 XFPSIBBAIHEEGJ-UHFFFAOYSA-N 324.384 1.798 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cc(C)ncn3)C2)cc1 855233299 FTGWLLFDKHWKOY-ZDUSSCGKSA-N 312.373 1.802 10 10 DDCE C[C@H](NC(=O)N1CCC(CO)(CO)C1)c1ccc(N(C)C)cc1 854002470 AHTQHXAGHBGRDO-ZDUSSCGKSA-N 321.421 1.200 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](OC)C3)C2)cc1 854300630 XDARXZUPXBIKMX-BBRMVZONSA-N 319.405 1.704 10 10 DDCE CCN(CC)c1ccc(CNC(=O)C2CS(=O)(=O)C2)cc1 864926685 LMGXEYGACVZVMZ-UHFFFAOYSA-N 310.419 1.194 10 10 DDCE COc1ccc(O)c(CNC(=O)c2nc([C@H]3C[C@@H]3C)no2)c1 865937782 ZEDWTPPGDBSYSY-KWQFWETISA-N 303.318 1.837 10 10 DDCE C[C@H]1CCn2cc(C(=O)NCc3ccc(O)c(O)c3)nc2C1 866769640 NPLNOWHDTYIRCA-JTQLQIEISA-N 301.346 1.807 10 10 DDCE CN(Cc1cccs1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1118935235 JJDLOBWMKHXKIC-UHFFFAOYSA-N 316.382 1.955 10 10 DDCE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(C)c(O)c3O)[C@@H]2C1 888466646 UFNQHAHLXVGXHR-DNIRFERGSA-N 319.357 1.724 10 10 DDCE COC(=O)[C@@H](NCc1cccc(OC)c1O)c1ccn(C)n1 787438341 OHMCXYBHIIELDI-ZDUSSCGKSA-N 305.334 1.138 10 10 DDCE CC(C)[C@@H](C)CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 785427604 DJEMXEDKAJEYQS-ZDUSSCGKSA-N 305.422 1.777 10 10 DDCE Cc1cc(Br)c(O)c(CNC[C@@](C)(O)CO)c1 794749048 WZQPDUXRNBBFLK-GFCCVEGCSA-N 304.184 1.296 10 10 DDCE CCCNC(=O)CNC(=O)c1cc2cc(O)c(O)cc2s1 895485201 MTNFSDMPXADAPX-UHFFFAOYSA-N 308.359 1.569 10 10 DDCE COC(=O)COc1ccc(N(C)Cc2ccnc(C)n2)cc1 796448662 GMMFOOZOYRQBRM-UHFFFAOYSA-N 301.346 1.973 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)Cc1ccc(N)cc1 1959370233 DVJRTLSIZZSDQA-STQMWFEESA-N 305.378 1.593 10 10 DDCE COc1cncc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 1300858813 JZTIBLBAVNQRTO-UHFFFAOYSA-N 300.278 1.900 10 10 DDCE O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1c(F)ccc(O)c1O 1161091902 JCSNLQNNDBOJHA-PSLIRLAXSA-N 311.309 1.305 10 10 DDCE CN1C[C@H]2CN(c3ccc(CN)c(Br)c3)C[C@@H]2C1 706766171 SOKBEPKWYLCZSA-RYUDHWBXSA-N 310.239 1.906 10 10 DDCE Cn1ncc(Br)c1C(=O)NCCc1ccc(N)cc1 693103868 VTWWGTIVPZNWEB-UHFFFAOYSA-N 323.194 1.737 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccc(Cn2ccnn2)o1 1455316629 PGKUOLVRBFTPNK-UHFFFAOYSA-N 314.301 1.261 10 10 DDCE C[C@@H]1CCCN([C@H](C)CNC(=O)Cc2ccc(O)c(O)c2)C1 1629994061 NRYSSDBUBMYUPU-CHWSQXEVSA-N 306.406 1.877 10 10 DDCE O=C1C[C@H](C(=O)NCc2c(O)cccc2O)[C@H]2CCCC[C@@H]2N1 1558535058 DEUYZGNENIDHHE-MDZLAQPJSA-N 318.373 1.409 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)[C@@H](O)CC(=O)OCC 1556367131 URCKIDKQTYCFHN-HNNXBMFYSA-N 323.389 1.835 10 10 DDCE C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C(N)=O)C1 1556289078 NQSCICKUWTXRAY-SKDRFNHKSA-N 317.349 1.575 10 10 DDCE COCCCN(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1492887983 OIBHHBBYAKSSDV-UHFFFAOYSA-N 321.381 1.547 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)[C@H](C)NC(C)=O)cc1C 1569044588 YHOUCXHJSJSOGI-STQMWFEESA-N 321.421 1.123 10 10 DDCE O=C(CO[C@H]1CCOC1)NCc1c(O)ccc2ccccc12 1652708956 RHXRZVIAFHUVAA-ZDUSSCGKSA-N 301.342 1.967 10 10 DDCE Cc1nc(C(=O)NCCCSc2nccs2)c(=O)[nH]c1C 155864161 NSHUPSBUCYIHIQ-UHFFFAOYSA-N 324.431 1.755 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(c2ccc(O)c(O)c2)C[C@H]1C(=O)O 1952774511 IALBAEDHAZQWFI-VFZGTOFNSA-N 309.318 1.922 10 10 DDCE CN1C(=O)CN(C(=O)OC(C)(C)C)C[C@@H]1c1ccc(N)cc1O 1953007730 CMTYQMUXPBKVNY-GFCCVEGCSA-N 321.377 1.725 10 10 DDCE CC(C)(C)OC(=O)NC1CC(O)(CNCc2ccccc2O)C1 1976174838 IIACTSACOWLHGF-UHFFFAOYSA-N 322.405 1.900 10 10 DDCE COc1cc(N)c(N2CC(NC(=O)OC(C)(C)C)C2)cc1OC 1977933673 KTUIXMGUPZGKNV-UHFFFAOYSA-N 323.393 1.999 10 10 DDCE CCCN1C(=O)C(=CNc2ccc(OC)cc2)C(=O)NC1=S 2042447191 NYTVJCVZEAFBPC-UHFFFAOYSA-N 319.386 1.644 10 10 DDCE CC(C)S(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(O)cc1O 2170585785 OONMGAOTYPCGEA-GHMZBOCLSA-N 301.408 1.960 10 10 DDCE NC[C@H]1CCCN1C(=O)C=Cc1ccc(N2CCOCC2)cc1 2053959901 ACYRSRKVJSIBPV-QGZVFWFLSA-N 315.417 1.486 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3[C@H](C)O[C@H](C)[C@@H]3C)c2n1 2062431418 JCSKYHDJGPTALE-WJZNIJOASA-N 304.350 1.285 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(Cc2cc[nH]n2)CC1 2064390514 GLRFCEHTDKARDL-UHFFFAOYSA-N 315.373 1.845 10 10 DDCE C[C@@H]1CC[C@@H](CS(=O)(=O)NCc2ccc(O)cc2O)O1 2064596600 LACUAMMDQGRNCW-SKDRFNHKSA-N 301.364 1.085 10 10 DDCE NCc1ccc(N2C[C@@H]3COC[C@@H]32)c(F)c1Br 1908817319 BBZKMWHKWQNEPJ-SCZZXKLOSA-N 301.159 1.882 10 10 DDCE C[C@@H](O)c1ccc(N2CC(CS(C)(=O)=O)C2)cc1Cl 2103219098 ALSFCQHORLIGII-SECBINFHSA-N 303.811 1.874 10 10 DDCE CCn1nncc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 2089189875 FAGQQAQWRZHDAU-UHFFFAOYSA-N 302.743 1.458 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2ccc(CN)o2)s1 2269282720 YIGQKBXAVVDVKO-UHFFFAOYSA-N 319.433 1.395 10 10 DDCE CSc1ncc(CNC(=O)N[C@]2(C(=O)O)CC2(C)C)s1 2284510306 ZLNQAEMZSVKSBH-LBPRGKRZSA-N 315.420 1.918 10 10 DDCE Cn1cccc1C=C1SC(=S)N(N2CCOCC2)C1=O 2296883092 MZYDYYQHBAUKOM-UHFFFAOYSA-N 309.416 1.474 10 10 DDCE CCOCCN1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1 2308001228 MJGQBVAKPTYZIV-UHFFFAOYSA-N 320.389 1.292 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCC[C@H]2CN2CCOCC2)c1 173690655 KYSFCIZYCRRYAF-HNNXBMFYSA-N 321.377 1.597 10 10 DDCE CN1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)CCC1=O 121248508 AZFPOUXQPPPUDB-CYBMUJFWSA-N 304.394 1.173 10 10 DDCE NC(=O)C[C@H]1CCCCN1Cc1ccc(N2CCOCC2)cc1 92588612 SCHCUEGKSGJDTA-QGZVFWFLSA-N 317.433 1.753 10 10 DDCE Cc1ccnc(CNC(=S)Nc2ccc(C(N)=O)cc2)c1 240788553 AYAGVUSIQYSAPR-UHFFFAOYSA-N 300.387 1.976 10 10 DDCE Cn1nc(Br)c(C(=O)N2CCC[C@H]2CN=[N+]=[N-])n1 2219810415 KCXMUCNKKLQCLO-LURJTMIESA-N 314.147 1.493 10 10 DDCE C[C@H](N)c1ccc(N2CCNC(=O)C23CC3)cc1Br 2132030587 XZCPNMHPMQZQMH-VIFPVBQESA-N 324.222 1.938 10 10 DDCE CN(C)c1ccc(/C=C\CNCCN2CCC(O)CC2)cc1 835055278 UAVMYMFCPQGDFZ-ARJAWSKDSA-N 303.450 1.812 10 10 DDCE O=C(C1CC1)N1CCOc2ccc(N3CCOCC3)cc2C1 581789096 MUMOZKTZZRMWEG-UHFFFAOYSA-N 302.374 1.654 10 10 DDCE NC(=O)[C@H](CNC(=O)c1cc(O)cs1)Cc1ccc(F)cc1 732275665 GVLBTNGYILHZMS-JTQLQIEISA-N 322.361 1.667 10 10 DDCE CN(C)c1ccc(/C=C/CNCc2cc(C(N)=O)no2)cc1 835048715 XWXCCJHRNQIUPG-ONEGZZNKSA-N 300.362 1.643 10 10 DDCE CC(C)[C@@H](C(=O)O)C(=O)NCc1ccc2cccnc2c1O 911700055 JMRLGDFIADWOAY-GFCCVEGCSA-N 302.330 1.913 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC(O)(C2CC2)C1 1353659652 GAARYQSKCQDCLB-UHFFFAOYSA-N 305.355 1.909 10 10 DDCE CC[C@@H](CO)N1CCN(Cc2ccc(N(C)C)cc2C)CC1 840915450 ASBTWNPGJYYXBE-KRWDZBQOSA-N 305.466 1.950 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1cccc(CO)c1O 687752816 SOOSSRQYOVXVND-NSHDSACASA-N 311.334 1.925 10 10 DDCE O=C(c1cccc(O)c1O)N1CC[C@@H](Nc2ncccn2)C1 843942633 SQRRRDRZGGUDIC-SNVBAGLBSA-N 300.318 1.214 10 10 DDCE CCC(=O)N1CSC[C@H]1C(=O)NCc1c(O)cccc1F 928711941 MAQXLHQNSQYHRK-NSHDSACASA-N 312.366 1.459 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CSCC(C)=O)C2)cc1 855224403 KLFXOHNEQYHWOB-CYBMUJFWSA-N 322.430 1.712 10 10 DDCE CCOC(=O)C1(C(=O)NCc2cc(C)ccc2O)CCOCC1 862755800 KYQBYBJYAFJWEZ-UHFFFAOYSA-N 321.373 1.677 10 10 DDCE CCn1[nH]c(C)nc1=NC(=O)NCc1cccc(Cl)c1O 931760336 FBTNCVNAONQULJ-UHFFFAOYSA-N 309.757 1.709 10 10 DDCE CC(C)(O)C[C@H](O)CNCc1ccc(N2CCSCC2)cc1 872201280 UVVVVXLAPZLUHG-INIZCTEOSA-N 324.490 1.851 10 10 DDCE CN(C)C[C@@H]1CN(C(=O)c2cc(O)cs2)C[C@H]1CN(C)C 870017826 IADGSFKDIKEOPX-VXGBXAGGSA-N 311.451 1.265 10 10 DDCE COc1cc(NS(=O)(=O)c2cnn(CC3CC3)c2)ccc1O 797819335 GLUCCTYBDRUXCQ-UHFFFAOYSA-N 323.374 1.808 10 10 DDCE C[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@H](C)S1 1332002835 HNINJXNRHUBLAT-QWRGUYRKSA-N 320.414 1.587 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@]1(C)CC1(C)C 1353805939 HTJGWSWISZCWCO-QGZVFWFLSA-N 304.390 1.903 10 10 DDCE CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1567605687 FEVCGWUQQQWVSY-GFCCVEGCSA-N 321.373 1.973 10 10 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UZZVOPXLMWDIDH-UHFFFAOYSA-N 315.211 1.623 10 10 DDCE Cc1ccc(CNCCn2cnnc2)c(O)c1Br 2327793801 XDSQACMSVYUTMS-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE CN(C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1CCOC1 106543248 MCLZTHSZTXRSNX-INIZCTEOSA-N 319.405 1.454 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccnn1C 115652525 YAZOCYLSOGUEOC-UHFFFAOYSA-N 301.394 1.794 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCO[C@H](Cn3cccn3)C2)c1 171607064 ONGYXOXSBVEZLA-AWEZNQCLSA-N 318.333 1.398 10 10 DDCE CC(C)CC(=O)N[C@@H](C(=O)NCc1ccc(O)c(O)c1)C(C)C 182549618 XKAQXTXZRZMXPF-MRXNPFEDSA-N 322.405 1.901 10 10 DDCE CC(=O)N(C(=O)C(=O)Nc1ccc(C)cn1)c1ccc(N)cc1 170319170 IQYKWEBGOWLZBM-UHFFFAOYSA-N 312.329 1.490 10 10 DDCE C[C@H](N)c1ccc(N2CCNC(=O)CC2)c(Br)c1 62101109 BYABNLKGKOLPNW-VIFPVBQESA-N 312.211 1.795 10 10 DDCE NN1C(=O)/C(=C\c2ccc(OCCC(=O)O)cc2)SC1=S 210389492 HDHRHPYAUXHLKW-JXMROGBWSA-N 324.383 1.615 10 10 DDCE CCC[C@@]1(C)C(=O)NCCN1Cc1cc([N+](=O)[O-])ccc1O 187306520 WLZKPKFHYVXYIQ-HNNXBMFYSA-N 307.350 1.791 10 10 DDCE CCN(Cc1ccc(N)cc1)S(=O)(=O)CCCC(=O)OC 49061938 NGHAEXFTMYMMLF-UHFFFAOYSA-N 314.407 1.374 10 10 DDCE CCCNCc1ccc(OC)c(CS(=O)(=O)CCOC)c1 81943339 HVBHSPYUKNEPQC-UHFFFAOYSA-N 315.435 1.756 10 10 DDCE O=C(c1cc(O)nc(O)c1)N1CC[C@@H](Oc2ccccn2)C1 238864610 LMDAZXVRAFLHOZ-LLVKDONJSA-N 301.302 1.181 10 10 DDCE CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)CCN1C[C@H](C)O 247083425 HDFZCVNYRJHKGM-JSGCOSHPSA-N 323.393 1.577 10 10 DDCE O=C1CC[C@@H](NC(=O)NCc2ccccc2O)C2(CCC2)N1 283674697 SORRAXWXCFUTFN-CYBMUJFWSA-N 303.362 1.393 10 10 DDCE COc1ccc(N2CCN(Cc3ncnn3CCF)CC2)cc1 281382926 CKWQVJBGXVROCR-UHFFFAOYSA-N 319.384 1.578 10 10 DDCE Cc1cc(CN(C)[C@H]2CCN3CCO[C@H]2C3)ccc1N(C)C 295510522 UBFUXOANAZAMRW-ROUUACIJSA-N 303.450 1.966 10 10 DDCE COC(=O)[C@H](C1CC1)S(=O)(=O)Nc1ccc(O)cc1Cl 2167067357 RSDQTLCJSMMMRD-NSHDSACASA-N 319.766 1.739 10 10 DDCE CCOC(=O)CN(CC(=O)NC(C)(C)C)Cc1ccccc1O 823581925 UDPLDRCAENBZIF-UHFFFAOYSA-N 322.405 1.672 10 10 DDCE O=c1oc2ccc(Cl)cc2n(OC[C@H]2CCCNC2)c1=O 821296468 DNNTXSQHYGTFLC-VIFPVBQESA-N 310.737 1.036 10 10 DDCE Oc1cc(Br)ccc1CN1CCOC[C@H](O)C1 826043159 DJYWMANQXAWUEV-LLVKDONJSA-N 302.168 1.348 10 10 DDCE C[C@H](NC(=O)C1CN(C)CCN(C)C1)c1ccc(N(C)C)cc1 907493065 OAOHQTISAWNMOT-AWEZNQCLSA-N 318.465 1.423 10 10 DDCE CC(C)(CNCc1cc([N+](=O)[O-])ccc1O)[C@@]1(O)CCOC1 842759012 QHKDLXQQOATODV-OAHLLOKOSA-N 310.350 1.568 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cn(C)nc3C)C2)cc1 855231112 JZDIVQQEEHYORZ-ZDUSSCGKSA-N 314.389 1.746 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCN[C@@H]3C)C2)cc1 851640497 WMFBGVNDSYYWBO-WWGRRREGSA-N 303.406 1.388 10 10 DDCE COC(=O)/C(C)=C\CN1C(=O)CN(Cc2ccccc2O)C1=O 925191688 OVBXCWQAGKGZOW-XFFZJAGNSA-N 318.329 1.276 10 10 DDCE COC(=O)c1cc(OCc2ccnc(OC)n2)ccc1N(C)C 865395256 NROLHIAQXMYKDX-UHFFFAOYSA-N 317.345 1.917 10 10 DDCE C[C@H]1C[C@H]1NC(=N)NCc1ccc(N2CCC(CO)CC2)cc1 864454141 HSWFVVKGTVIHKW-SUMWQHHRSA-N 316.449 1.918 10 10 DDCE CC[C@H](NC(C)=O)C(=O)NCc1ccc2cccnc2c1O 868938207 RSGOKCQOVPWOSU-ZDUSSCGKSA-N 301.346 1.471 10 10 DDCE CN(C)c1ccc(CN[C@@H](CO)CNC(=O)OC(C)(C)C)cc1 1876247586 YNWIDWZGWADBRH-CQSZACIVSA-N 323.437 1.728 10 10 DDCE O=C1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCN1 897975818 FMNRNTGNFWGOCH-VIFPVBQESA-N 320.370 1.711 10 10 DDCE Cc1nnccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 797646283 VHHWHPIJXPOKLY-VIFPVBQESA-N 302.334 1.949 10 10 DDCE O=S1(=O)CC[C@H](NCc2c(O)cccc2Br)C1 706830439 WNLDORFZIUQPKU-QMMMGPOBSA-N 320.208 1.431 10 10 DDCE CCCN(C)c1nnnn1Cc1ccc(N2CCOCC2)cc1 1337057803 BKARWJAPSOXPJP-UHFFFAOYSA-N 316.409 1.404 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2ncccn2)cc1C 1265844234 XAUZDHNCBLHPMA-ZDUSSCGKSA-N 314.389 1.702 10 10 DDCE CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2cccc(O)c2O)C1 1352670298 NRIJVRZPYKJSHR-WDEREUQCSA-N 307.346 1.693 10 10 DDCE CCC[C@H](C)C(=O)NCCNC(=O)Cc1ccc(O)c(O)c1 1298297609 FNSFLHXFWCDZDX-NSHDSACASA-N 308.378 1.309 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCN(C(=O)C3CC3)C2)cc1 1451706643 AEABBICHXLDSRN-UHFFFAOYSA-N 315.333 1.501 10 10 DDCE Cc1c(CNC(=O)c2ccc(N=NC(N)=O)cc2)cnn1C 1466583799 WUCVPKOEDMUAQB-UHFFFAOYSA-N 300.322 1.821 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cccc(-n2cncn2)n1 1465954578 RBUZDHRZKJLRPF-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE Oc1nc2c(NCc3c(O)cccc3O)nc(Cl)nc2[nH]1 1612970115 SDOUKNVCAOISPT-UHFFFAOYSA-N 307.697 1.735 10 10 DDCE CSc1ncc(C(=O)NCc2ccc(N(C)C)cc2)c(O)n1 1624401589 MOPTVQDJIUQZGG-UHFFFAOYSA-N 318.402 1.900 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)COCc1ccnn1C 1640260294 YTUXKHLVGCVFDD-UHFFFAOYSA-N 324.377 1.444 10 10 DDCE CC(C)Oc1ccc(N2CCN(C[C@@H]3CN=C(N)O3)CC2)cc1 33893591 OXQQRPQMFTWWFW-INIZCTEOSA-N 318.421 1.309 10 10 DDCE C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)cn1)c1ccccc1O 1587451402 TZXZWWXDVRDWGI-VIFPVBQESA-N 310.317 1.458 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)[C@@H]2CCN(C)C2)cc1C 1669740582 BFPOIMYMQRGIJJ-GOEBONIOSA-N 319.449 1.550 10 10 DDCE CN1CCc2nc(NC(=O)COc3ccc(N)cc3)sc2C1 1860083794 YCJZHOPEWSFOQQ-UHFFFAOYSA-N 318.402 1.731 10 10 DDCE OC[C@@H](O)[C@H](/C=C/c1ccc(O)cc1)c1ccc(O)c(O)c1 14696113 UWWISKPOVFKUES-VRLUZNEVSA-N 302.326 1.954 10 10 DDCE biogenic COc1nscc1S(=O)(=O)N1CCC(N=[N+]=[N-])CC1 1912159392 HMBGTOHTIRJVRJ-UHFFFAOYSA-N 303.369 1.615 10 10 DDCE CC(=O)C(=O)[C@]1(O)CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1919164669 XOXLJNVSCCEKNQ-MKBNYLNASA-N 311.378 1.543 10 10 DDCE CCS(=O)(=O)N(C)CCN[C@@H](C)c1c(O)cccc1O 1926344483 KHNMXUPJOIFGSG-JTQLQIEISA-N 302.396 1.030 10 10 DDCE CN1C(=O)CNC[C@H]1c1ccc(NC(=O)OC(C)(C)C)cc1O 1952564722 NVEKRDLXYWYWDK-LBPRGKRZSA-N 321.377 1.842 10 10 DDCE CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980371193 VHERYWCJSCNHCT-SRVKXCTJSA-N 322.405 1.509 10 10 DDCE O=S1(=O)CCC[C@H]2CN(c3ccc(CO)cc3Cl)C[C@@H]21 2145044905 DHOMPRNHTAIFRY-FZMZJTMJSA-N 315.822 1.846 10 10 DDCE NC(=O)[C@H]1CC[C@H](NCc2ccc(Br)cc2O)C1 2029525994 PQZJHUNPHSOEIV-KWQFWETISA-N 313.195 1.898 10 10 DDCE NCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2040414844 BUBDMZSKWQUTPR-UHFFFAOYSA-N 308.384 1.575 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@H](CO)C2)cc1Br 316549259 MFUIVOZXGZHLSC-VYUIOLGVSA-N 315.211 1.258 10 10 DDCE COC(=O)c1cnc(Sc2nnc(N(C)C)s2)s1 2062458074 BINTWEYJCQXJHT-UHFFFAOYSA-N 302.406 1.998 10 10 DDCE C[C@H](O)c1cc(F)c(N(C)[C@@H](C)CS(C)(=O)=O)c(F)c1 2194505482 JHSTWBXJVHWOSU-IUCAKERBSA-N 307.362 1.887 10 10 DDCE C[C@@]1(O)CN(c2ccc(CO)cc2Br)CC[C@H]1O 2081770403 WVDNNSPNAFZZTL-CHWSQXEVSA-N 316.195 1.263 10 10 DDCE Cn1cc(Br)c(Cn2ccc3c(c2=O)CNCC3)n1 2094405891 YUTPHVIUBRKPQQ-UHFFFAOYSA-N 323.194 1.038 10 10 DDCE CN(c1ccc(CO)cc1Cl)[C@@H]1CS(=O)(=O)C1(C)C 2097548763 KMZOXBHWGZHBFX-GFCCVEGCSA-N 303.811 1.844 10 10 DDCE CCNCc1ccc(N(C)CCS(C)(=O)=O)cc1OC 2204548237 CNMQORVBYBSHIW-UHFFFAOYSA-N 300.424 1.286 10 10 DDCE COc1ccc(Br)c(CN(C)[C@@H](C)C(N)=O)c1O 2220479986 KOPWCUPKBNBHPV-ZETCQYMHSA-N 317.183 1.469 10 10 DDCE COc1cc(C=C2C(=O)NC(=O)N(C(C)(C)C)C2=O)ccc1O 2296758228 KWVAQJUXHAILPT-UHFFFAOYSA-N 318.329 1.661 10 10 DDCE CC[C@H](C)N1C(=O)C(=CNc2ccccc2N)C(=O)NC1=S 2296937111 QSWWUPNIJUNXPC-VIFPVBQESA-N 318.402 1.606 10 10 DDCE CN(C)c1cccc(CNC(=O)C=Cc2ccc(O)c(O)c2)n1 2308005923 LSGRPKVRRAAFOZ-UHFFFAOYSA-N 313.357 1.888 10 10 DDCE C[C@H](c1cc(Cl)ccc1O)N1C[C@@H]2[C@H](C1)CS2(=O)=O 2336552539 FEYCRQWAYGOFAG-JRKPZEMJSA-N 301.795 1.835 10 10 DDCE COCC1CC(NCc2cnc(SC)s2)(C(=O)O)C1 2349501915 UIRMFQISBIIVJZ-UHFFFAOYSA-N 302.421 1.834 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CNC(C)(C)C2)s1 2350656446 WMZZXPSJXNZQAI-LBPRGKRZSA-N 301.437 1.550 10 10 DDCE O=C1Nc2cc(N3CCOC[C@H](F)C3)c(Cl)cc2[C@@H]1O 2361819106 ITMHDMLMXJBMFK-KRTXAFLBSA-N 300.717 1.500 10 10 DDCE CSc1ncc(CNC(=O)NC[C@@H]2C[C@H]2CC(=O)O)s1 2360956886 QJOZAUNOAVMCNZ-YUMQZZPRSA-N 315.420 1.775 10 10 DDCE CC(C)c1nc(NN(C)S(=O)(=O)C2CC2)sc1C(=O)O 2365273165 YCUDTQOHRQODQX-UHFFFAOYSA-N 319.408 1.716 10 10 DDCE C[C@@H]1CN(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)CCO1 237398256 SJPDXNUQHOVKSN-CQSZACIVSA-N 317.433 1.523 10 10 DDCE CCOc1ccc(O)c(CN2CCO[C@H](CC(=O)OC)C2)c1 271170341 HJDOSRPVSWDECY-CQSZACIVSA-N 309.362 1.555 10 10 DDCE CC1(C)NC(=O)CC[C@H]1NCc1ccc(N2CCOCC2)cc1 801733632 SKQFAIJJHABMJD-MRXNPFEDSA-N 317.433 1.670 10 10 DDCE Cc1nc(CNS(=O)(=O)Cc2ccc(N)cc2)sc1C 719534656 HTXKNNBASDGTGC-UHFFFAOYSA-N 311.432 1.962 10 10 DDCE COc1ccc(N2CC[C@H](CN3C(=O)N[C@H](CF)C3=O)C2)cc1 819177483 TYDDPPOFHOIWGQ-SMDDNHRTSA-N 321.352 1.411 10 10 DDCE COC[C@H](O)[C@@H](N)c1c(Br)ccc(Cl)c1O 713787573 XIKBLJSNECZDHU-IONNQARKSA-N 310.575 1.815 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)C(C)(C)C(=O)O)C2)cc1 843332095 HKJZCCYOFGCIRG-GFCCVEGCSA-N 320.389 1.749 10 10 DDCE COC(=O)[C@@H]1CNCCCN1C/C=C\c1ccc(N(C)C)cc1 843122664 DIKMDDMTLHFKOT-AATOQMJSSA-N 317.433 1.603 10 10 DDCE COCCN1CC[C@@H](N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 850347882 ZQUXRCFPNMEADH-HZPDHXFCSA-N 319.449 1.584 10 10 DDCE CCS(=O)(=O)C1(CNCc2cc([N+](=O)[O-])ccc2O)CC1 850397785 JROTUHQFVVJMRZ-UHFFFAOYSA-N 314.363 1.357 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCC3(C)COC3)C2)cc1 852103907 VFAHGUMGFMCIGO-CYBMUJFWSA-N 319.405 1.610 10 10 DDCE CO[C@H]1COCC[C@H]1CNC(=O)NCc1c(O)cccc1F 922697393 UDUTZWUWUWAMIN-HZMBPMFUSA-N 312.341 1.382 10 10 DDCE CCn1nc(C)cc1NC(=O)C(=O)NCCc1ccc(N)cc1 861503701 MFFYFYVECSMUAI-UHFFFAOYSA-N 315.377 1.091 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1[C@H]2CCC[C@H]21 1117661176 LNVLIIGHONXISW-MUJYYYPQSA-N 315.417 1.592 10 10 DDCE CC(C)C(=O)N1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 871201380 USKNFLSTIRLALP-CQSZACIVSA-N 302.374 1.881 10 10 DDCE C/C(=C\C(=O)N1CCNC(=O)c2ccccc21)c1cnccn1 1127771000 CLEPKYGYQYHGKI-ZRDIBKRKSA-N 308.341 1.657 10 10 DDCE C[C@@H](NC(=O)c1cc(C(N)=O)cn1C)c1ccc(N(C)C)cc1 775403262 IMGDODPQDXAXTB-LLVKDONJSA-N 314.389 1.681 10 10 DDCE Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc2cccnc12 783696297 HJDXCPXDWKHUGT-UHFFFAOYSA-N 309.325 1.977 10 10 DDCE COC(=O)c1c(CN(C)[C@@H](C)CO)c2cc(F)ccc2n1C 894771161 WOQKSROZRSSGPG-JTQLQIEISA-N 308.353 1.917 10 10 DDCE NS(=O)(=O)C[C@H]1CCCN(Cc2cc(F)cc(F)c2O)C1 894017964 UUOZBAJVLNCROU-VIFPVBQESA-N 320.361 1.171 10 10 DDCE COc1ccc(CN[C@@H](C)[C@H](O)C(F)(F)F)c(O)c1OC 895759496 HNWAQGXLOQWHKX-MADCSZMMSA-N 309.284 1.811 10 10 DDCE CCOCc1cc(CN[C@@H](C(=O)O)[C@H]2CCCO2)ccc1OC 1329686353 SWLHCWVBIUUIDD-HZPDHXFCSA-N 323.389 1.954 10 10 DDCE CN1CCN(c2ccc(CN[C@@H]3CCCOC3)cc2F)CC1 1323384818 HVGOIEBZDOAZKW-OAHLLOKOSA-N 307.413 1.846 10 10 DDCE O=[N+]([O-])c1cc(O)ccc1NS(=O)(=O)CC(F)(F)F 695123815 GWMRADQSAQGEJJ-UHFFFAOYSA-N 300.214 1.604 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](CO)c1ccccc1 1446025239 QBOHMARDLPONRE-CQSZACIVSA-N 301.342 1.533 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)c1nccnc1C(N)=O 1458085203 OEIRPMGIWPEOCR-UHFFFAOYSA-N 311.389 1.812 10 10 DDCE NC(=O)c1ccc(CC(=O)NCc2c(O)cccc2O)cc1 1472063607 OZQDJKWZRVBQPR-UHFFFAOYSA-N 300.314 1.056 10 10 DDCE CCOc1ccc(N2CCN(CCNC(=O)C3CC3)CC2)cc1 1616489554 OSUFREZINJWINZ-UHFFFAOYSA-N 317.433 1.734 10 10 DDCE Cn1nc(CC(=O)NCc2cc(O)ccc2O)c2ccccc21 1637125960 JGJLMXYDDPWRSJ-UHFFFAOYSA-N 311.341 1.843 10 10 DDCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)[C@@H](C)OC 1732763645 NQZVWTBNIUPVRU-CQSZACIVSA-N 308.422 1.977 10 10 DDCE COC(=O)c1cnc(C(=O)NCc2cc(C)ccc2O)cn1 1645800342 CLPDVRBJIMBWNT-UHFFFAOYSA-N 301.302 1.207 10 10 DDCE CN1C(=O)[C@@H](NC(=O)c2cccc(O)c2O)Cc2ccccc21 1640270826 CIUUMAAAKIEEAP-LBPRGKRZSA-N 312.325 1.415 10 10 DDCE COC(=O)CCC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1587492968 YJXBPSQVMTZEDB-UHFFFAOYSA-N 321.373 1.832 10 10 DDCE CCOc1cccc(CNCCC(=O)N2CCC(O)CC2)c1O 1857863992 QWPQZKOOVJRDNP-UHFFFAOYSA-N 322.405 1.254 10 10 DDCE [N-]=[N+]=N[C@H]1CCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 1912191578 TUENWUCWDDAHTF-QWRGUYRKSA-N 315.333 1.028 10 10 DDCE COc1ncc(S(=O)(=O)N2CCC[C@H](CN=[N+]=[N-])C2)s1 1912209539 AYAQAMNSDWMFIP-MRVPVSSYSA-N 317.396 1.863 10 10 DDCE N[C@H](c1cc(Cl)cc(Br)c1O)[C@H](O)C(=O)O 1952153901 WNMAXEMYWRPRRK-SVRRBLITSA-N 310.531 1.253 10 10 DDCE CN1C[C@H](c2cccc(NC(=O)OC(C)(C)C)c2O)NCC1=O 1952563493 ARHAVVMQOWLJJL-GFCCVEGCSA-N 321.377 1.842 10 10 DDCE C[C@@H](N)c1ccc(N(C)CCN(C)S(C)(=O)=O)c(F)c1 2146925631 KNRGHACNRVXGPN-SNVBAGLBSA-N 303.403 1.173 10 10 DDCE CC(C)(C)OC(=O)N1CC(CO)(C(=O)Nc2ccc(N)cc2)C1 1993303654 FBOOILWHCDIMCC-UHFFFAOYSA-N 321.377 1.437 10 10 DDCE C[C@@H](N)c1ccc(N2CC([N+](=O)[O-])C2)cc1Br 2016887015 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COc1ncc(S(=O)(=O)N[C@@H](C)c2ccccc2O)s1 919120219 YRTHXYOTBSFBRQ-QMMMGPOBSA-N 314.388 1.897 10 10 DDCE CC[C@@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC 1611169753 LSPFJPUNAVFKHA-CQSZACIVSA-N 306.322 1.921 10 10 DDCE C[C@@H](NC(=O)c1cnc2c(c1)NC(=O)CO2)c1ccccc1O 1632246408 HEFKCULORQFTLH-SECBINFHSA-N 313.313 1.609 10 10 DDCE CCOC(=O)c1ccc(NN=NCCN2CCOCC2)cc1 1860489088 XDZKHEGGTMYKGS-UHFFFAOYSA-N 306.366 1.975 10 10 DDCE N[C@H]1CC(C(=O)N2CCc3cc(Br)ccc32)=C[C@H]1O 2131469967 NGEJNUVELGJIPG-WCQYABFASA-N 323.190 1.357 10 10 DDCE CN(C)[C@H]1COC[C@H]1NCc1ccc(Br)cc1O 1921753178 JUDOXQREXOTNJZ-NEPJUHHUSA-N 315.211 1.573 10 10 DDCE COC1(CO)CN(c2ccc(CN)cc2Br)C1 1951062128 VMRXPIGMCMHPFQ-UHFFFAOYSA-N 301.184 1.105 10 10 DDCE O=S1(=O)C[C@H]2C[C@@H](NCc3ccc(Cl)cc3O)C[C@H]2C1 2161133524 SZFFEAAQYCWZFA-PTEHBNRSSA-N 315.822 1.958 10 10 DDCE Cc1nc(C(C)(C)NC(=O)C=Cc2ccc(O)c(O)c2)n[nH]1 2069600346 OJNLFIWAEODSJT-UHFFFAOYSA-N 302.334 1.589 10 10 DDCE CCNCc1ccc(OC)c(COCCS(C)(=O)=O)c1 2189906021 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C[C@@H](Cn1cncn1)NC(=O)NCc1ccc(N(C)C)cc1 60600963 CSZPNDVLEZZKCB-LBPRGKRZSA-N 302.382 1.232 10 10 DDCE COc1ccc(O)c(CNC(=O)C[C@@H](C)N2CCCCC2=O)c1 189385228 OARLXONTUDXTQU-GFCCVEGCSA-N 320.389 1.808 10 10 DDCE CC[C@H]1CN(Cc2cc(OC)ccc2O)CCN1CCOC 180087259 ACBPOABNOLOWOV-HNNXBMFYSA-N 308.422 1.943 10 10 DDCE CC1CCN(c2ccc(CNC(=O)COCCO)cc2)CC1 188853701 IIJHBLVSRMMHCH-UHFFFAOYSA-N 306.406 1.548 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccccc1N(C)C(=O)C1CC1 808506095 USWAKPPHFOLDEN-UHFFFAOYSA-N 303.314 1.374 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)CC(C)(C)OC)c1 809819558 AOAQQWZPTUFYQW-UHFFFAOYSA-N 303.380 1.245 10 10 DDCE COCC[C@H](COC)N1C(=O)CN(Cc2ccccc2O)C1=O 819170140 WQPMHQKNGIAING-CYBMUJFWSA-N 322.361 1.208 10 10 DDCE Oc1cc2c(cc1CN1C[C@H](O)C[C@H]1[C@@H]1CCCOC1)OCO2 824653478 BSCXMPSHNNEIHR-BNOWGMLFSA-N 321.373 1.483 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@H](C(=O)O)[C@@H]2CCCO2)cc1 904025113 CQDPZGQKZFXUNE-TVKHYIBRSA-N 304.390 1.988 10 10 DDCE C[C@@H]1CCCCCN1Cc1cc(O)n2ncc(C(=O)O)c2n1 737750343 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CC(C)CNC[C@@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1716112588 PUGNHONZWMZCRO-CYBMUJFWSA-N 321.381 1.185 10 10 DDCE Cn1c(=O)cc(C(=O)NCc2cc(O)ccc2O)c2ccccc21 1633595080 HFOXIEYKMRFSPU-UHFFFAOYSA-N 324.336 1.880 10 10 DDCE COC(=O)c1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)no1 1633820006 YXLMLEOMJHJIAU-MRVPVSSYSA-N 320.301 1.233 10 10 DDCE NC(=O)Cc1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 1638777711 SCXJTBNUWCKIGO-UHFFFAOYSA-N 318.304 1.195 10 10 DDCE CC[C@H](F)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 1686724005 ZECMBJYUFFOBAS-NSHDSACASA-N 323.328 1.443 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2cncn2C)cc1C 1699369987 ZZXOEIVRBQMYGE-CYBMUJFWSA-N 316.405 1.645 10 10 DDCE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1[C@@H](N)c1ccccc1O 1936987927 XABVYBALXVSINY-AWEZNQCLSA-N 318.377 1.943 10 10 DDCE CC[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)CCS1 157236584 JIPYUQQIWISUEG-CYBMUJFWSA-N 300.449 1.926 10 10 DDCE C[C@H]1CN(c2ccc(CO)c(Br)c2)CC[S@@]1=O 2004529926 MNZYEMZXXGZGTC-XYZCENFISA-N 318.236 1.899 10 10 DDCE CS[C@@H](C)CNS(=O)(=O)CCOc1ccc(N)cc1 162459703 MAYLTCYKLQBHMW-JTQLQIEISA-N 304.437 1.319 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)N1CCCC[C@H]1CO 2157788416 PMKYWHBHIUZGLH-JTQLQIEISA-N 320.798 1.549 10 10 DDCE N[C@H]1C[C@H](S(=O)(=O)Nc2ccc(O)c(C(F)(F)F)c2)C1 2152903660 BVZIQWXJFJLLBR-FKQCQYRASA-N 310.297 1.642 10 10 DDCE Cn1cc(Br)c(=NC(=O)Nc2ccc(N)cc2)[nH]1 2038257619 QIWFKKCTPKYVML-UHFFFAOYSA-N 310.155 1.831 10 10 DDCE CNCc1ccc(N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(F)c1 2170283434 MURMMYSPBRVFLN-MNOVXSKESA-N 300.399 1.557 10 10 DDCE C[C@@H](N)c1ccc(N2CC(CC(N)=O)C2)cc1Br 723172948 BYYRJXXKUSMBTH-MRVPVSSYSA-N 312.211 1.780 10 10 DDCE C[C@@H]1C[S@@](=O)CCN1c1cc2c(cc1Cl)[C@@H](O)C(=O)N2 2171966095 UEENOBLKCKDRKD-CQDIJFMHSA-N 314.794 1.283 10 10 DDCE Nc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2N)cc1 2191637619 KBSGCHMUEXHFOK-UHFFFAOYSA-N 311.794 1.983 10 10 DDCE C[C@]1(O)CCN(c2cc(Cl)c(CN)cc2F)C[C@@]1(C)O 2194603699 LPDYQDHOPFFYEE-UONOGXRCSA-N 302.777 1.650 10 10 DDCE Nc1cc(NS(=O)(=O)C[C@H]2C[C@@H]2C(F)(F)F)ccc1O 2236141002 HBZCQOKMYSWJGX-SVRRBLITSA-N 310.297 1.915 10 10 DDCE O=[N+]([O-])c1cc(NS(=O)(=O)c2ccns2)ccc1O 2227883005 MYZKWBQACDGSPT-UHFFFAOYSA-N 301.305 1.558 10 10 DDCE CSc1ncc(CNC(=O)NCCSCC(=O)O)s1 2269096769 XWGIHHLTAPKLDB-UHFFFAOYSA-N 321.449 1.482 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](C)[C@H]2C[C@@H]2C(=O)O)s1 2284545150 WOQCXPPFBDQSJA-VDAHYXPESA-N 315.420 1.773 10 10 DDCE COc1cc(OC)c(N2CCC[C@@](N)(CO)C2)cc1Cl 2285874994 VFFNHBZONMPRRH-AWEZNQCLSA-N 300.786 1.647 10 10 DDCE CCn1nccc1C=CC(=O)NCc1cc(OC)ccc1O 2303631419 VYNZUOYQKOCVQP-UHFFFAOYSA-N 301.346 1.947 10 10 DDCE CN(Cc1ccc(Br)cc1O)[C@@H]1CNC[C@H]1F 2303697920 OMEMCDGFJWVOIK-GHMZBOCLSA-N 303.175 1.896 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CC[C@@H](CN)C2)s1 2345347789 YQSBQBYUPLGYCC-PRHODGIISA-N 301.437 1.537 10 10 DDCE Cc1nnc(SCCC(=O)N(C)Cc2ccccc2O)[nH]1 177077641 GYRMSGAFYCVJFS-UHFFFAOYSA-N 306.391 1.960 10 10 DDCE O=C(NC[C@H]1COc2ccccc2O1)c1cc(O)nc(O)c1 170223544 BDQAVKQKUPFGGU-JTQLQIEISA-N 302.286 1.063 10 10 DDCE O=C1C[C@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CN1 117975643 QCHYWBBCTWYYDU-KBPBESRZSA-N 318.373 1.036 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc2c(s1)CC[C@@H]2C(=O)O 2365340436 YJECHVLNFPJHHF-ZETCQYMHSA-N 319.408 1.256 10 10 DDCE CN1CCN(C(=O)/C=C\c2ccc(N(C)C)cc2)C(C)(C)C1=O 98056509 BIYKWFOBDXSOIV-FLIBITNWSA-N 315.417 1.845 10 10 DDCE Cn1nccc1C1=CCN(C(=O)c2c(F)ccc(O)c2O)CC1 296074192 DRXJTUIGVAFASA-UHFFFAOYSA-N 317.320 1.900 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 808502635 NIWHEQMPQBIEDN-PHIMTYICSA-N 320.345 1.010 10 10 DDCE COCC[C@H](COC)NC(=O)NCc1ccc(OC)cc1O 811956847 XKCIBKRSQJZNEZ-GFCCVEGCSA-N 312.366 1.252 10 10 DDCE C[C@H](N)CCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 827726332 WXBBEVZCJFXRLM-UONOGXRCSA-N 305.422 1.828 10 10 DDCE COCCC(=O)N1CCOc2ccc(N3CCOCC3)cc2C1 581789056 JWKRVLONMUKZHK-UHFFFAOYSA-N 320.389 1.281 10 10 DDCE C/C(=C\C(=O)N(C)Cc1ccccc1O)CN1CCOCC1 901054174 BXOQEIDJPMJOGM-SDNWHVSQSA-N 304.390 1.629 10 10 DDCE COCCN1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1=O 835044983 QGAJLWAJRIHQRM-SNAWJCMRSA-N 317.433 1.556 10 10 DDCE CN(C)c1ccc(/C=C/CNCCCNS(C)(=O)=O)cc1 840871152 CAQAIOSFFWIKKN-GQCTYLIASA-N 311.451 1.295 10 10 DDCE C[C@@H](NCCCc1ncn(C)n1)c1cc([N+](=O)[O-])ccc1O 842901164 IVPFKMNFADOIAY-SNVBAGLBSA-N 305.338 1.712 10 10 DDCE CO[C@@H](CNC(=O)NCc1c(O)cccc1F)[C@H]1CCOC1 923180021 IIBQLTSLHWLNMV-HZMBPMFUSA-N 312.341 1.382 10 10 DDCE C[C@@H](c1nccn1C)N1C(=O)CN(Cc2ccccc2O)C1=O 853088979 LNNSEHWDWQJCMA-NSHDSACASA-N 314.345 1.651 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](C(=O)OC(C)(C)C)C1CCCC1 850128678 HBDPFSYPAJOIET-CYBMUJFWSA-N 312.362 1.836 10 10 DDCE C[C@@H](CN(C)CCCN(C)C)NCc1ccc2c(c1)CCO2 850353331 ALIHUXKGAMYMPA-HNNXBMFYSA-N 305.466 1.983 10 10 DDCE CCON(CC)C(=O)CNC(=O)NCc1cc(C)ccc1O 858707660 CICRQCIVQIKEOS-UHFFFAOYSA-N 309.366 1.300 10 10 DDCE C[C@@H]1CN(C)C[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 756099088 FOSGTOUROJCRDR-BEFAXECRSA-N 317.477 1.935 10 10 DDCE CNCCOCCNC1CCN(c2ccc(OC)cc2)CC1 863482974 JPCQMDVNMJJKRP-UHFFFAOYSA-N 307.438 1.490 10 10 DDCE NC(=O)C[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 862535620 UILONACGFJJHKW-VIFPVBQESA-N 302.733 1.261 10 10 DDCE Cn1ccc(=O)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1 930206546 ZFPGROLQVNMVLJ-UHFFFAOYSA-N 311.385 1.916 10 10 DDCE COC(=O)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 768459649 FNPSDGWHCVAKHX-OAHLLOKOSA-N 304.390 1.518 10 10 DDCE C[C@H]1CN(CCO)CCN1Cc1cc(F)c(N(C)C)cc1F 862390606 GSFCCGRFVSWTAF-LBPRGKRZSA-N 313.392 1.529 10 10 DDCE CN(C)c1ccc(CNS(=O)(=O)c2ccccc2N)cc1 767666077 TWWQZGWPBBAKII-UHFFFAOYSA-N 305.403 1.813 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCN(C3CC3)C(=O)C2)c1O 774886851 XOUOPMFRWJMQON-UHFFFAOYSA-N 321.333 1.116 10 10 DDCE CC[C@H](CNCc1ccc(N2CCC(O)CC2)cc1)C(=O)OC 895138395 GGIDNQBRLMFMHL-OAHLLOKOSA-N 320.433 1.937 10 10 DDCE CC[C@@H](C(=O)NCCCSc1nccs1)C(=O)OC 790635820 HQRWPARUCOMCQS-VIFPVBQESA-N 302.421 1.941 10 10 DDCE CN1CCO[C@H](CNCc2ccc(Br)cc2O)C1 691488291 NGINZUHBJQHZBY-GFCCVEGCSA-N 315.211 1.575 10 10 DDCE CCS(=O)(=O)[C@H]1CSCCN1c1ccc(CNC)cc1 90927588 HHGMCRCAFXBLAX-AWEZNQCLSA-N 314.476 1.720 10 10 DDCE C[C@H]1CNc2c(C(=O)NCCc3ccc(O)c(O)c3)cnn2C1 1347041389 DLPHSQWAJWWRPN-JTQLQIEISA-N 316.361 1.328 10 10 DDCE C/C(=C/C(=O)N1CCCc2ccc(C(N)=O)nc21)c1cnccn1 1437444675 LAIOFMDGHSBOIT-LUAWRHEFSA-N 323.356 1.353 10 10 DDCE Cn1cc(C(=O)NCc2ccc(O)cc2O)c2ccccc2c1=O 1451767014 JVWHGFNYXIHGJC-UHFFFAOYSA-N 324.336 1.880 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CS(C)(=O)=O 1539469055 ULMSNISSUZJOOE-UHFFFAOYSA-N 310.419 1.290 10 10 DDCE Cc1nc(-c2ccnc(NC(=O)c3cccc(O)c3O)c2)n[nH]1 1625925561 APDZOLPVYIQGHU-UHFFFAOYSA-N 311.301 1.839 10 10 DDCE CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)C(N)=O 1630260677 WKGFXFCVEZROEE-UHFFFAOYSA-N 308.359 1.554 10 10 DDCE CC[C@H](C)C(=O)NC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1720897398 QEZDKPYLYUQTGO-WDEREUQCSA-N 323.393 1.379 10 10 DDCE COc1ccc(C(=O)NCc2cc(O)ccc2O)c(N)c1F 1637129254 ACDPNTOODOABLY-UHFFFAOYSA-N 306.293 1.758 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@]1([C@@H]2CCCCO2)CCCO1 1645366621 VWTSSBFQMMSVAO-DOTOQJQBSA-N 321.373 1.832 10 10 DDCE NS(=O)(=O)Nc1cccc(NCc2cccc(F)c2O)c1 165009111 NEXOUBHZETWMOC-UHFFFAOYSA-N 311.338 1.759 10 10 DDCE Cc1cc(OCc2ccc(N)cc2)cc(=O)n1[C@@H](C)C(=O)O 1857922073 UNQNCBMKNNGBTI-NSHDSACASA-N 302.330 1.964 10 10 DDCE COc1cc(Cl)cc(CNC[C@H]2C[C@H](CO)CO2)c1O 1967895529 OXSMUGHYBVZDLV-BXKDBHETSA-N 301.770 1.541 10 10 DDCE CCCn1cc(S(=O)(=O)NCCCCN=[N+]=[N-])nc1C 231733390 IVJDJAHFMWBSAN-UHFFFAOYSA-N 300.388 1.970 10 10 DDCE CCc1cnc(CNS(=O)(=O)Cc2ccc(N)cc2)s1 234239082 IARJGMGKBITFSW-UHFFFAOYSA-N 311.432 1.907 10 10 DDCE CNC(=O)CCN(C)c1ccc(CN)cc1Br 234373904 SIDSZAATXYAFOR-UHFFFAOYSA-N 300.200 1.480 10 10 DDCE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)NCCCCN=[N+]=[N-] 1985101090 NSQFSJGVWORJJW-UHFFFAOYSA-N 324.345 1.972 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)c(F)c1 2153845453 LYXPMPALJCVGBI-TVQRCGJNSA-N 301.383 1.891 10 10 DDCE OCc1ccc(N2C[C@@H](CO)C[C@H]2CO)cc1Br 2029383579 FYMMXZVQTQPCPS-CABZTGNLSA-N 316.195 1.121 10 10 DDCE CNC(=O)NCCNCc1cccc(Br)c1O 397428423 HISVOLLAJYRMPC-UHFFFAOYSA-N 302.172 1.173 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccnn1[C@H]1CC1(F)F 2064444592 DKECGSAAVXPRNC-NSHDSACASA-N 309.272 1.804 10 10 DDCE COc1ccc(Cn2ncc(CN)c2Br)c(O)c1 2070350500 JQPGGPXRMZZYDQ-UHFFFAOYSA-N 312.167 1.867 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN1CCS(=O)(=O)N1CCCCC1 2179619409 RWRSRHOTAMTFHY-GFCCVEGCSA-N 301.416 1.577 10 10 DDCE CCOC(=O)c1cnc(Sc2cn(C)nc2C(=O)O)s1 2183029053 DYFXXOCEQXDUDH-UHFFFAOYSA-N 313.360 1.903 10 10 DDCE CN1CCN(c2cc(Br)c(CN)cc2F)[C@@H]2C[C@H]21 2049380003 MVRIFLBLIPMHNO-CHWSQXEVSA-N 314.202 1.940 10 10 DDCE C[C@H](O)c1ccc(N2CC(CS(C)(=O)=O)C2)c(Cl)c1 2103221200 LXYVZFUKMVVTSQ-VIFPVBQESA-N 303.811 1.874 10 10 DDCE COc1ccc(Br)c(CNCCC(N)=O)c1O 2214883715 ZVVICHWMSKEUHO-UHFFFAOYSA-N 303.156 1.128 10 10 DDCE CO[C@H](CNC(=O)NCc1cnc(SC)s1)CC(=O)O 2284505187 SKBDNVFQUCYZEZ-ZETCQYMHSA-N 319.408 1.154 10 10 DDCE CSc1ncc(CNC(=O)CC2(CN)CCOCC2)s1 2284634954 FHHZCLWDGLJESU-UHFFFAOYSA-N 315.464 1.627 10 10 DDCE NN1C(=O)C(=Cc2ccccc2OCC(=O)O)SC1=S 2294874710 PQWLNGUHSNMJAS-UHFFFAOYSA-N 310.356 1.225 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 2312539482 YYJFDAUACXBFHF-NIQUEXKYSA-N 301.342 1.339 10 10 DDCE NC(=O)Cn1cc(C=C2SC(=S)NC2=O)c2ccccc21 2313676915 YEKHEVCOWBMKES-UHFFFAOYSA-N 317.395 1.615 10 10 DDCE O=C(O)[C@]1(Sc2nccs2)CN[C@@]2(CCCOC2)C1 2351989326 HKBPYMGOIFRXAU-NWDGAFQWSA-N 300.405 1.601 10 10 DDCE CCN[C@@](CSc1nccs1)(C(N)=O)[C@@H]1CC1(F)F 2352307411 YZQFJRPKLFYYJD-OIBJUYFYSA-N 307.391 1.724 10 10 DDCE O=C(O)CCNC1=NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1 6889264 GWEDAPHPNVJIRF-WDZFZDKYSA-N 320.326 1.450 10 10 DDCE COC[C@@](C)(CCO)NCc1cc(Cl)cc([N+](=O)[O-])c1O 175848188 RBTFJTQMFOGTRT-CYBMUJFWSA-N 318.757 1.831 10 10 DDCE CN1C(=O)/C(=C\c2cc(Br)ccc2O)NC1=S 104573057 GBDXUGGKXIVQKW-VMPITWQZSA-N 313.176 1.842 10 10 DDCE CNC(=O)[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C(C)C 178821463 UIKSAQYWROFARS-AWEZNQCLSA-N 306.410 1.322 10 10 DDCE COC(=O)[C@@H](C)S(=O)(=O)N(Cc1ccc(N)cc1)C(C)C 49063431 OUUBNKUGDHTMFF-LLVKDONJSA-N 314.407 1.371 10 10 DDCE COC(=O)[C@H](C)S(=O)(=O)N(Cc1ccc(N)cc1)C(C)C 49063430 OUUBNKUGDHTMFF-NSHDSACASA-N 314.407 1.371 10 10 DDCE O=C(c1nnc(Cl)s1)N1CCc2cc(O)c(O)cc2C1 2366900669 QJKZUWIIVZLELL-UHFFFAOYSA-N 311.750 1.801 10 10 DDCE CCN(Cc1ccc(OC)cc1O)[C@@H](C)CS(C)(=O)=O 93391424 XLPLFKCTRFLKED-NSHDSACASA-N 301.408 1.656 10 10 DDCE O=C1N[C@H](c2cc(Cl)cc(Cl)c2O)N2CCOC[C@H]12 93884593 LPXJREDBWDWJKI-KOLCDFICSA-N 303.145 1.528 10 10 DDCE COc1cc(Cl)cc(CN(C)[C@H]2COC[C@H]2C(=O)O)c1O 252838225 BKRCSVKOTCUNHN-MNOVXSKESA-N 315.753 1.586 10 10 DDCE CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc(C)c(O)c3O)[C@@H]2C1 374724972 CCYAXWYZOKRYPW-BNOWGMLFSA-N 321.373 1.815 10 10 DDCE CCn1nc2c(cc1=O)CN(Cc1cc(OC)ccc1O)CC2 375013402 QDIPXOPHESKLAB-UHFFFAOYSA-N 315.373 1.536 10 10 DDCE CN1C(=O)CC[C@@H](NC/C=C/c2ccc(N(C)C)cc2)C1=O 818233846 PJURUABRWALUEP-MBVDDHJVSA-N 301.390 1.503 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)C[C@H](OC)C2CC2)c1 827200320 JJKKKDKGUCRYPC-AWEZNQCLSA-N 315.391 1.245 10 10 DDCE CN1CC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1 729525321 HFFHOZMXLLVIDQ-OAHLLOKOSA-N 303.406 1.091 10 10 DDCE O=C(NCCCn1ccnn1)NCc1cc(Cl)ccc1O 845108379 KEKSFAWGIMECAH-UHFFFAOYSA-N 309.757 1.527 10 10 DDCE CCOc1ccc(CN[C@H](Cc2ccncc2)C(=O)O)c(O)c1 848640961 WXEDSJIJTVSUKD-OAHLLOKOSA-N 316.357 1.971 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@](O)(c2cc(O)c(O)c(O)c2)C1 687737239 VZDJRYYHPYXXOB-OAHLLOKOSA-N 311.334 1.632 10 10 DDCE O=C(Cn1cnc2c1CCCC2)NCCc1ccc(O)c(O)c1 755908453 HYVVNNWMZWWTCC-UHFFFAOYSA-N 315.373 1.532 10 10 DDCE COC[C@@H](CCNC(=O)NCc1cc(Cl)ccc1O)OC 852447804 HVAGFLBSNVRBMN-GFCCVEGCSA-N 316.785 1.896 10 10 DDCE C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2O)CS1(=O)=O 853571168 WXJXCKWWJMCZHH-CMPLNLGQSA-N 312.391 1.157 10 10 DDCE CCON(CC)C(=O)CNCc1cc(OC)c(OC)cc1O 862451580 FAVZVEUXJWYQCL-UHFFFAOYSA-N 312.366 1.299 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1ccc(-n2cncn2)cc1 768903798 KPVLJJGRBHSZQC-UHFFFAOYSA-N 324.340 1.651 10 10 DDCE CCn1cc(S(=O)(=O)N2Cc3cccc(O)c3C2)nc1C 867691429 WHDFBRKIHSPQTG-UHFFFAOYSA-N 307.375 1.622 10 10 DDCE Cc1cc(N(C)C)ccc1CNS(=O)(=O)N1CCC[C@H]1C 770248794 PWTCNGHPBCJKLA-CYBMUJFWSA-N 311.451 1.880 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1ccc2nnc(S)n2c1 1137443659 XYUJIOQQTFFVJA-UHFFFAOYSA-N 316.342 1.359 10 10 DDCE Cc1ccnc(C(=O)NCc2ccc(N3CCOCC3)cc2)n1 792082592 UMIKOTPHSMXBBY-UHFFFAOYSA-N 312.373 1.552 10 10 DDCE COc1ccccc1OCC(=O)NCc1ccc(O)cc1O 1142530082 LMGCQZMACBXDQX-UHFFFAOYSA-N 303.314 1.802 10 10 DDCE O=C1NCc2ccc(NC(=O)c3c(F)ccc(O)c3O)cc21 1306461428 MTSDRGSKYLZKIN-UHFFFAOYSA-N 302.261 1.733 10 10 DDCE CCOc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)ccc1OC 1084424303 IDRJBXRPNGHNDS-YFHOEESVSA-N 304.302 1.186 10 10 DDCE CN1CCN(c2ccc(CN3CC[C@]34CCOC4)cc2F)CC1 1328791595 ISGVSCRNWWSJRZ-GOSISDBHSA-N 319.424 1.942 10 10 DDCE C[C@H](N)[C@H]1CN(Cc2c(O)cccc2Br)CCO1 706806413 DFLTVFTXGPYOPV-TVQRCGJNSA-N 315.211 1.703 10 10 DDCE CC(C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)n1cccn1 1329503830 XYWNQYCKOYATQW-UHFFFAOYSA-N 304.302 1.456 10 10 DDCE O=C(O)c1cnc(Sc2nnnn2-c2ccccc2)s1 60217002 XHDQQGJQHDFJGZ-UHFFFAOYSA-N 305.344 1.968 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@@H]2CNC[C@H]21 686545915 PCUYFUHFHNQOTN-VXGBXAGGSA-N 303.189 1.872 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1nc2ncccn2n1 1299727178 YPUQCJRSADEOLC-UHFFFAOYSA-N 320.312 1.308 10 10 DDCE NC(=O)c1ccc(/C=C/C(=O)NCc2ccc(O)c(O)c2)o1 1294870220 RDGNGDFIIJLRAZ-ZZXKWVIFSA-N 302.286 1.119 10 10 DDCE CC(C)CN(Cc1nn[nH]n1)C(=O)/C=C\c1ccc(O)c(O)c1 1471645980 NCOHGEWTQOGJOG-XQRVVYSFSA-N 317.349 1.309 10 10 DDCE C[C@H](NC(=O)c1ccccc1)C(=O)NCc1c(O)cccc1F 1558454611 DCUIWLVSUKNTFF-NSHDSACASA-N 316.332 1.966 10 10 DDCE Cn1cc(C(=O)NCc2c(O)cccc2O)c2ccccc2c1=O 1639292477 FBWUUTINKWDZDI-UHFFFAOYSA-N 324.336 1.880 10 10 DDCE CCOC(=O)C1=CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1632879729 YEZSITDHRSDFBX-LBPRGKRZSA-N 305.330 1.408 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cc(O)cc([N+](=O)[O-])c1 1593872933 HCNZLULSKCPQKS-UHFFFAOYSA-N 304.258 1.642 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)C2=CCOCC2)cc1C 1699359471 LLTQJYONJARWMS-CQSZACIVSA-N 318.417 1.945 10 10 DDCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1C(=O)c2cccnc2C1=O 1866244738 WAHDBIFJYUWJIX-VIFPVBQESA-N 310.313 1.287 10 10 DDCE COCCNC(=O)[C@@H](C)NCc1cc(Cl)cc(Cl)c1O 228992544 OLBCOJCIZORFHZ-MRVPVSSYSA-N 321.204 1.940 10 10 DDCE CN(C)C[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928480313 HBANDHZHRAPCIP-TZMCWYRMSA-N 309.410 1.847 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](N)[C@H]1Cc1ccc(O)c(O)c1 1952306500 NDMAYWLBOUAUGW-NWDGAFQWSA-N 308.378 1.977 10 10 DDCE CC(C)(C)OC(=O)N1CCNC[C@H](c2ccc(O)c(O)c2O)C1 1952529752 XHVWMWAWXDYELC-JTQLQIEISA-N 324.377 1.727 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)C(=O)C[C@H]3C[C@H](N)C3)C[C@H]12 1980368826 CKRFTOZEPQDHSR-RYXKWFTGSA-N 322.405 1.555 10 10 DDCE Cn1cc(Br)c([C@@H](O)[C@@H](N)c2ccccc2O)n1 2032848884 OXVHDVMECLZOHS-JQWIXIFHSA-N 312.167 1.622 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCCn4nccc43)c2n1 2064882043 TXKJPDDIDMMHPV-LLVKDONJSA-N 312.333 1.205 10 10 DDCE Oc1cc(I)n(-c2ccc(O)c(O)c2)n1 2069758280 WOMSOQSEJNBIOR-UHFFFAOYSA-N 318.070 1.594 10 10 DDCE CN(c1cc(Cl)c(CN)cc1F)C1CCS(=O)(=O)CC1 2177381337 MACVPBMYJIJPDU-UHFFFAOYSA-N 320.817 1.951 10 10 DDCE Oc1cc(Br)ccc1CN1CCO[C@@H]2COC[C@H]21 2072497934 VLBBFUBTLNFBRL-DGCLKSJQSA-N 314.179 1.754 10 10 DDCE NCc1cc(F)c(N2C[C@H]3C[C@H]2[C@H]3CO)cc1Br 2082968757 ZSGAQNMJLNCEJY-PTRXPTGYSA-N 315.186 1.864 10 10 DDCE CC1([C@H]2CCCN(C(=O)c3ccc(O)c(O)c3)C2)OCCO1 2089603048 NLSBPVFCOVNUDT-LBPRGKRZSA-N 307.346 1.713 10 10 DDCE COc1cc(OC)c(N2CC[C@@H](OCCO)C2)cc1Cl 2285919551 KPZAJDBHWCLNLW-SNVBAGLBSA-N 301.770 1.945 10 10 DDCE COc1ccc(Br)c(CN2C[C@@H]3C[C@H]2[C@@H]3N)c1O 2312417447 QIRVLCCRHHNLTG-VIRWGQHYSA-N 313.195 1.695 10 10 DDCE Cc1ccc(CNCCOCC(=O)O)c(O)c1Br 2327801584 SXDLFCJUCYIXAA-UHFFFAOYSA-N 318.167 1.654 10 10 DDCE CN(Nc1nc(C(F)(F)F)c(C(=O)O)s1)S(C)(=O)=O 2339778806 BPSKSJCTQXRJIY-UHFFFAOYSA-N 319.286 1.078 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H]3C[C@H]2[C@H]3C(=O)O)s1 2359404038 RPGCPSJZOOUSSO-XVYDVKMFSA-N 313.404 1.480 10 10 DDCE COc1cc(Cl)c(N2CCC[C@](O)(CN)C2)c(OC)c1 2368114739 ZHTPZXQHFYPNLQ-AWEZNQCLSA-N 300.786 1.647 10 10 DDCE Cn1ccnc1-c1cc(NC(=O)c2cccc(O)c2O)n(C)n1 193138181 BBOHSKQTAGIKHJ-UHFFFAOYSA-N 313.317 1.484 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)CC[C@@H](C)O)c([N+](=O)[O-])c1 255295408 GPGTVNLSEAIDLI-JPVGGKMYSA-N 308.334 1.988 10 10 DDCE CC(=O)C(=O)COC(=O)c1cn2cc(Cl)cc(Cl)c2n1 808548815 ROBGIFLGJUJMLK-UHFFFAOYSA-N 315.112 1.956 10 10 DDCE Cc1cccc(CNC[C@H]2CCCCN2S(C)(=O)=O)c1O 809710080 MRJMDCGUAXMMGH-CQSZACIVSA-N 312.435 1.604 10 10 DDCE O=C(NCc1cc(Br)ccc1O)c1ccncn1 804735168 NOGHEMHEVWXVGO-UHFFFAOYSA-N 308.135 1.875 10 10 DDCE CN1CCN(C[C@H](O)CNc2ccccc2OCC2CC2)CC1 819452451 SKGUDYVCAOIKQO-MRXNPFEDSA-N 319.449 1.496 10 10 DDCE C[C@@H](NCCc1ccc(N)cc1)c1ccc(S(N)(=O)=O)cc1 817955794 HWFCBKQMAYYYNF-GFCCVEGCSA-N 319.430 1.810 10 10 DDCE CN1CCC([C@H]2C[C@H]2CNC(=O)c2cc(O)nc(O)c2)CC1 585512439 KGIHKOMPUVKGTP-QWHCGFSZSA-N 305.378 1.201 10 10 DDCE CN(C)c1ccc(CN(C(=O)[C@H](O)C(C)(C)O)C2CC2)cc1 900124419 LFSJCJRRCFJKGB-HNNXBMFYSA-N 306.406 1.375 10 10 DDCE COc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)cnn1C 839607950 POIWUJGLLQOOOP-UHFFFAOYSA-N 306.341 1.564 10 10 DDCE COCCCN(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 849416292 OEZZXGARATVNCL-AWEZNQCLSA-N 321.421 1.952 10 10 DDCE COC(=O)[C@H]1CSCCN(Cc2cc(OC)ccc2O)C1 840979228 ZTNQKOPENXVERN-GFCCVEGCSA-N 311.403 1.739 10 10 DDCE O=C(NCCO[C@H]1CC1(F)F)NCc1c(O)cccc1F 923256756 PLASXNXPVSXZDA-NSHDSACASA-N 304.268 1.755 10 10 DDCE COc1ccc(CNC(=O)c2c[nH]nc2[C@H]2CCNC2)c(O)c1 852826090 PLDKNFYHSOXPQV-NSHDSACASA-N 316.361 1.131 10 10 DDCE C[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2O)CS1(=O)=O 850369314 VDAWFBMZDMIDKZ-KOLCDFICSA-N 314.363 1.356 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCN3C)C2)cc1 855230006 DMORIPPMUTXIFO-XJKSGUPXSA-N 303.406 1.484 10 10 DDCE COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1cccc(OC)c1O 862516017 IOFBGBMYHGLUCL-JSGCOSHPSA-N 323.389 1.849 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(C)n([C@@H]2CCCOC2)c1C 860364256 LGXKUQKQRSQWCU-CYBMUJFWSA-N 307.346 1.771 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CCc3cn[nH]c3)C2)cc1 863931265 YRXHLLXTXYIYGD-AWEZNQCLSA-N 314.389 1.746 10 10 DDCE O=C(C(=O)N1CCC[C@H]1C1CC1)N1Cc2cccc(O)c2C1 1118940639 QSOXQQOJYQOTPE-AWEZNQCLSA-N 300.358 1.635 10 10 DDCE CC(C)N1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1=O 1146933975 JKSRLJIOGWOMEB-GFCCVEGCSA-N 317.349 1.588 10 10 DDCE Cc1c(C(=O)OCC(=O)c2ccc(O)c(O)c2)nnn1C(C)C 796687259 RWLLZNNXIQPAOA-UHFFFAOYSA-N 319.317 1.618 10 10 DDCE CN1CCc2c(NC(=O)c3cccc(O)c3O)cccc2C1=O 1147714782 GKEUOOQUWBTJAN-UHFFFAOYSA-N 312.325 1.978 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@@H](c3cn(C)nn3)C2)c(O)c1O 1305212330 YBYISUCZCZYGEN-LLVKDONJSA-N 316.361 1.555 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C/c1ccncn1 184330710 BVYGYXGZJQSDFH-ZZXKWVIFSA-N 310.357 1.981 10 10 DDCE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)Nn2ccnn2)cc1 1449985323 SHHUEWREOIYPRZ-UHFFFAOYSA-N 323.356 1.811 10 10 DDCE CC[C@H]1CN([C@H](CC)C(=O)NCc2cccc(O)c2O)CCO1 1521851379 LRGRXIHTRBEOBM-UONOGXRCSA-N 322.405 1.603 10 10 DDCE CCOC(=O)[C@H](CC1CC1)NC(=O)Cc1ccc(O)c(O)c1 1558219750 QRMBJZWFDRBETJ-LBPRGKRZSA-N 307.346 1.488 10 10 DDCE COc1ccc(N2CCCN(C[C@@H](O)C(C)(C)O)CC2)cc1 1559492322 MDDBJICVTCLQKI-MRXNPFEDSA-N 308.422 1.339 10 10 DDCE COC(=O)c1ccc([N+](=O)[O-])c(NCc2c(O)cccc2O)n1 1640452975 NMPDUTMSNZSWKM-UHFFFAOYSA-N 319.273 1.800 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](CN2CCCC2)C1 1586547055 LKTKJQSKYDPEBH-CQSZACIVSA-N 304.390 1.585 10 10 DDCE COc1ncc(/C=C/C(=O)NCc2cccc(O)c2O)cn1 1593739536 PIHZGFHELIGYGE-AATRIKPKSA-N 301.302 1.226 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)NCc1nc(N)n[nH]1 1684755163 RSENXWUIAYIQJC-UHFFFAOYSA-N 318.381 1.604 10 10 DDCE COCCNCc1ccc(N2CCOC[C@@H]2CO)c(Cl)c1 168328214 PBVQQDQIAHNNOL-ZDUSSCGKSA-N 314.813 1.274 10 10 DDCE CCc1csc(CNS(=O)(=O)Cc2ccc(N)cc2)n1 1926339890 QJNQXTYGWVWKNH-UHFFFAOYSA-N 311.432 1.907 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1[C@H](N)c1ccccc1O 1928481185 SDSAQVYZVXJYQE-YRGRVCCFSA-N 308.378 1.932 10 10 DDCE CN[C@@](CSc1nccs1)(C(=O)O)C1CCOCC1 2143049412 IQCJYDDYLYSPJP-GFCCVEGCSA-N 302.421 1.705 10 10 DDCE CC(=O)C(=O)[C@H](O)c1cc(Br)c2c(c1)OCCO2 2030458568 DNHJSHGHOUEKNU-LLVKDONJSA-N 315.119 1.412 10 10 DDCE NCc1ccc(N2CC(N3CC(F)C3)C2)cc1Br 2041160068 SSOGFZVCLXRVRA-UHFFFAOYSA-N 314.202 1.750 10 10 DDCE C[C@@H]1CN(c2cc(Br)c(CN)cc2F)C[C@H]1O 387568524 JCNLWOQHSADFPF-JMCQJSRRSA-N 303.175 1.864 10 10 DDCE CN(CC1[C@H]2CS(=O)(=O)C[C@H]12)c1ccc(CO)cc1Cl 2174676356 YSDSJNYKAABATM-VXGBXAGGSA-N 315.822 1.559 10 10 DDCE COc1cc(Cl)cc(CN2CC[C@H](N)[C@H](CO)C2)c1O 2178902259 DWDNTHUZRASYJB-JQWIXIFHSA-N 300.786 1.196 10 10 DDCE Oc1cc(Br)ccc1CN1CCN[C@H]2COC[C@@H]21 2068834520 XPJOVTVKVQNMBT-RYUDHWBXSA-N 313.195 1.327 10 10 DDCE Oc1ccc(Br)cc1CNC[C@@H]1Cc2nncn2C1 2111434522 PRHZQOXQSFXLMX-VIFPVBQESA-N 323.194 1.708 10 10 DDCE Cc1cc(CO)ccc1N1CC(S(=O)(=O)C(F)(F)F)C1 2237657815 LNTXJYYJJJULCO-UHFFFAOYSA-N 309.309 1.611 10 10 DDCE Cn1cnc(Br)c1C(=O)N1CC[C@H](CN=[N+]=[N-])C1 2315662533 DSCDHIDOVOPVFK-SSDOTTSWSA-N 313.159 1.955 10 10 DDCE CN1C(=O)COc2cc(N=NN3CCC(C(N)=O)CC3)ccc21 2330361617 DHNXHZFPMQXPMV-UHFFFAOYSA-N 317.349 1.238 10 10 DDCE COc1ccc(O)c(CNc2ccc(S(N)(=O)=O)cc2)c1 20556803 FOPLPWGBMSZJFH-UHFFFAOYSA-N 308.359 1.660 10 10 DDCE COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc(OC)cc1OC 33286489 HJSVRSJPOSDYBT-KPKJPENVSA-N 303.314 1.664 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@]3(C)CCCO3)CC2)cc1 267938723 SBRBQSKZVSZXJM-QGZVFWFLSA-N 304.390 1.913 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2C[C@@H]3C[C@H]3C2)c1 819795185 KCBAIMGEBJWZEZ-IUCAKERBSA-N 310.375 1.292 10 10 DDCE CN(C)c1ccc(OCC(=O)N2CCOC[C@@H]2C2CC2)cc1 810001749 KTLLKOPZDSFSLP-MRXNPFEDSA-N 304.390 1.769 10 10 DDCE COC(=O)[C@]12C[C@H](N)C[C@H]1CN(Cc1cc(C)c(C)cc1O)C2 903978267 CNRQDDUBMDRHMH-DAYGRLMNSA-N 318.417 1.721 10 10 DDCE C/C=C/[C@@H](O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 900508247 LCOPEPOAFTXJQX-QDLOVBKTSA-N 304.390 1.717 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)C[C@]1(O)CCCN(C)C1 901051426 DGJYHPXTPPQOEA-GOSISDBHSA-N 320.433 1.978 10 10 DDCE COC(OC)[C@@H](C)NC(=O)NCc1ccc(N2CC=CC2)cc1 919918366 MFQAAGGNEUMMJY-CYBMUJFWSA-N 319.405 1.869 10 10 DDCE CS(=O)(=O)N1CCCC[C@H]1CN[C@@H]1CCc2cccc(O)c21 834798488 HCDVJDLOJLKZME-UONOGXRCSA-N 324.446 1.783 10 10 DDCE CC(C)C[C@]1(C(=O)NCc2ccc(O)cc2O)CCNC1=O 910958344 ZZENJFHNYNPZIW-MRXNPFEDSA-N 306.362 1.266 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCC[C@H](C)[S@@](C)=O)c1 756757460 CEDKGFDJKAWFOM-ZPMVXHMNSA-N 313.419 1.987 10 10 DDCE CCON(CC)C(=O)CNCc1ccc(N2CCOCC2)cc1 858217970 FHIRVJKUVKZPBF-UHFFFAOYSA-N 321.421 1.413 10 10 DDCE CCN(CC)c1ccc(CNC(=O)CCc2nn[nH]n2)cc1 864926358 GZBSODWDZYWHQK-UHFFFAOYSA-N 302.382 1.295 10 10 DDCE N=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC(F)F 887349760 IEKBZPRMQSFXGT-UHFFFAOYSA-N 316.327 1.541 10 10 DDCE COC(=O)[C@@H]1OCC[C@@H]1CNCc1cc(C)cc(OC)c1O 895457876 IWWBHHPISFSVJD-IAQYHMDHSA-N 309.362 1.377 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1ccc(CO)c(F)c1 1137464484 BHJZJNCMYMEVDW-UHFFFAOYSA-N 305.305 1.702 10 10 DDCE COCCCCS(=O)(=O)NCc1ccc(OC)cc1O 795358400 OTGNPVRNTQANAM-UHFFFAOYSA-N 303.380 1.247 10 10 DDCE COc1cccc(CNC(=O)c2ccnc3[nH]c(C)nc23)c1O 797943554 SPSPLPTUGVLNEP-UHFFFAOYSA-N 312.329 1.911 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC[C@]1(O)C[C@H]2CC[C@H]1C2 1159448334 KEFBEPUOVOTCLL-DCGLDWPTSA-N 305.374 1.698 10 10 DDCE CC(C)n1cnnc1CN(C)C(=O)Cc1ccc(O)c(O)c1 1160139915 QIPTUTPQQULQRX-UHFFFAOYSA-N 304.350 1.471 10 10 DDCE CC(C)(C)N(CCCO)S(=O)(=O)Cc1ccc(N)cc1 690104560 CCUYDZAULWUSJL-UHFFFAOYSA-N 300.424 1.582 10 10 DDCE COC(=O)[C@H](C)CN(C(=O)Cc1ccc(O)c(O)c1)C1CC1 1442988267 ONDKOEWOHMXHMZ-SNVBAGLBSA-N 307.346 1.440 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@@H]2CCCn3ncnc32)cc1F 1292283420 VNAIUHLNZOHIML-GFCCVEGCSA-N 317.368 1.677 10 10 DDCE C/C=C\C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OCC 1556145562 KPSXYXABDRYYSN-KTLBGCOUSA-N 307.346 1.654 10 10 DDCE CC1(C)CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC[S@@]1=O 1569102954 ASCNCCVNALNZIQ-LHXJMTLCSA-N 323.414 1.871 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)C=C(C)C)cc1C 1676498752 FYQHCPQGWQGEOC-OAHLLOKOSA-N 306.406 1.537 10 10 DDCE [N-]=[N+]=NC[C@H]1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 1912163234 GXYZOASMRKTIEM-ZJUUUORDSA-N 318.424 1.066 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@]2(Cl)CC2(F)F)cc1 2140632610 KZQWDHPJCGLZBC-SNVBAGLBSA-N 310.753 1.705 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1Br 2136609023 YEWMHCGWGXUXEJ-UVRHIYEWSA-N 324.222 1.636 10 10 DDCE Oc1cc(Br)ccc1CNC[C@H]1COC[C@H]1O 1948504778 ORUZVWMSKWPOCU-JOYOIKCWSA-N 302.168 1.252 10 10 DDCE C[C@H](c1cc(F)ccc1O)N1CC[C@@H](CS(C)(=O)=O)C1 2143700102 JWIFKDXISCEAOA-GHMZBOCLSA-N 301.383 1.959 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)Cc1ccc(N)cc1 1984418512 KIRBWXSEESDTTQ-TZMCWYRMSA-N 319.405 1.841 10 10 DDCE CNCCOCCN(C)Cc1cc(Br)ccc1O 706633906 HXJHXAFJAGWPOX-UHFFFAOYSA-N 317.227 1.823 10 10 DDCE OC[C@H](O)[C@@H](C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1 2054618186 UWWISKPOVFKUES-YOEHRIQHSA-N 302.326 1.954 10 10 DDCE Oc1c(F)cc(Br)cc1CNC1COCCOC1 715747141 XLMZMNNUQMFQDZ-UHFFFAOYSA-N 320.158 1.799 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCOC[C@@H]3CC(C)C)c2n1 2064764978 WBBIIUWVYAIYQK-LBPRGKRZSA-N 318.377 1.630 10 10 DDCE CN1C[C@@H](C(F)(F)F)[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 2065188583 RQRCYRPMTDKMSN-NWDGAFQWSA-N 314.307 1.975 10 10 DDCE NCc1cc(F)c(N2CCC(NC(N)=O)CC2)cc1Cl 2177381888 SGTBJINYFFCDHC-UHFFFAOYSA-N 300.765 1.575 10 10 DDCE CN(CC1(S(C)(=O)=O)CC1)c1cc(Cl)c(CN)cc1F 2177387248 IDTGHPPWHRESIT-UHFFFAOYSA-N 320.817 1.951 10 10 DDCE CCNC(=O)c1cn([C@H](C)c2ccc(OC)cc2O)nc1O 2070632894 NAIDYEREZAJUDB-SECBINFHSA-N 305.334 1.662 10 10 DDCE COc1cccc(Cn2cc(C(=O)NC3CC3)c(O)n2)c1O 2070646172 SPLRCLCCUNQKSF-UHFFFAOYSA-N 303.318 1.243 10 10 DDCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])c1c(Cl)ncn1C 2175319478 UDQZORXMVVYJSR-QMMMGPOBSA-N 300.750 1.968 10 10 DDCE Cc1nc(CNCc2cccc(Br)c2O)nn1C 2070663209 ZWTRNXKWZVXOEC-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE CN(CCS(=O)(=O)N(C)C)c1ccc(CN)c(Cl)c1 2094688524 BHEAFQRDBOGYNK-UHFFFAOYSA-N 305.831 1.126 10 10 DDCE COCCNCc1cnc(SCC(=O)NC(C)C)s1 2099110963 KHZWRGKCUNVKRA-UHFFFAOYSA-N 303.453 1.496 10 10 DDCE Oc1cccc(Br)c1CNCCN1CCCO1 2213546723 CLYNDEWSLLKFEK-UHFFFAOYSA-N 301.184 1.882 10 10 DDCE CN=c1nc(C)c(C(=O)NCc2cnc(SC)s2)c[nH]1 2284711862 LAPMNXWDUVTHTP-UHFFFAOYSA-N 309.420 1.357 10 10 DDCE C[C@H]1C[C@](Sc2nccs2)(C(=O)O)CCS1(=O)=O 2326904602 SZVDYQRGKJMDFT-XVKPBYJWSA-N 307.418 1.656 10 10 DDCE COC[C@@H](O)CNCc1cc(Br)cc(OC)c1O 117946248 NKOJSTGVGDRHQU-JTQLQIEISA-N 320.183 1.260 10 10 DDCE Nc1ccc(-n2nccc2NS(=O)(=O)N2CCCC2)cc1 61628854 SRRIRGCBWRDGMN-UHFFFAOYSA-N 307.379 1.207 10 10 DDCE CC[C@H]1CCCCN1C(=O)C(=O)N(C(C)=O)c1ccc(N)cc1 170318582 RMCKJZOPMANTSE-AWEZNQCLSA-N 317.389 1.939 10 10 DDCE CN(C)c1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)ccn1 180646052 QMSFSUMUOBVGSZ-GQCTYLIASA-N 313.357 1.888 10 10 DDCE CN(NCc1ccc(F)c(F)c1O)S(=O)(=O)C1CCC1 2365272514 UNGBATJUIPNSHR-UHFFFAOYSA-N 306.334 1.489 10 10 DDCE CCN1CCC[C@@H]1CN(C)S(=O)(=O)Cc1ccc(N)cc1 92622770 LXIZMDRWNBPLQN-OAHLLOKOSA-N 311.451 1.515 10 10 DDCE CC(F)(F)[C@H]1C[C@@H]1CS(=O)(=O)NCc1ccc(N)cc1 2164633382 JFHJDWRVFNNNRK-PWSUYJOCSA-N 304.362 1.980 10 10 DDCE NC(=O)N[C@@H]1CCN(c2ccc(CO)c(Br)c2)C1 700654880 BSOBDSRGDXVJPL-SECBINFHSA-N 314.183 1.188 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccccc1NC(=O)C(C)(C)C 808516823 LUCKIYGGBFTSSU-UHFFFAOYSA-N 305.330 1.986 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN(C)C2=O)c1 825737246 WSUVDUKSWKFKON-PWSUYJOCSA-N 306.362 1.446 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2cccn(C)c2=O)c1 729534780 CVUFUCNYZWEMSH-SNVBAGLBSA-N 302.330 1.591 10 10 DDCE O=C1CC[C@@H]2[C@H]1[C@H]2C(=O)NCc1cc(Br)ccc1O 908169824 ANVSSXRRUDZKMD-WQAKAFBOSA-N 324.174 1.996 10 10 DDCE C[C@@H]1CNCC[C@@H]1NC(=O)NCCCSc1nccs1 841856863 LLSHVEDDJJDSFY-MNOVXSKESA-N 314.480 1.923 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)NCCC1(CN)CC1 846142681 BZPJOBULFWMUOX-UHFFFAOYSA-N 304.438 1.989 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](c2cc(O)c(O)cc2O)[C@H](CN)C1 687741289 SKXVWUGJRAZFSI-KOLCDFICSA-N 324.377 1.713 10 10 DDCE CC[C@@H]1NCC[C@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851640353 UPIVUBBLKDENED-XYPHTWIQSA-N 317.433 1.778 10 10 DDCE CO[C@@H]1C[C@H]1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 924122209 YVUSQTWCUOCNAX-HUUCEWRRSA-N 320.389 1.289 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CC3(O)CCC3)C2)cc1 855224559 LWDVLYUJZIXSHS-CYBMUJFWSA-N 304.390 1.695 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CNCC3CC3)C2)cc1 852843640 DDSXLWUNSLNKHI-CQSZACIVSA-N 303.406 1.390 10 10 DDCE COc1cc(Cl)cc(CN2CCO[C@H](CC(N)=O)C2)c1O 862534374 AKTDINIGLZFJHZ-LLVKDONJSA-N 314.769 1.130 10 10 DDCE CN(C)C1(C)CCC(NC(=O)C(=O)Nc2ccc(N)cc2)CC1 868300706 NEZUSBZKEALDPJ-UHFFFAOYSA-N 318.421 1.586 10 10 DDCE CCOC(=O)CN1CCN(c2ccc(OC)cc2OC)CC1 877708226 FLOCYCYBSMLMQY-UHFFFAOYSA-N 308.378 1.389 10 10 DDCE N=c1[nH][nH]cc1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 1876171898 RZFSVEUFLYUWOE-UHFFFAOYSA-N 323.161 1.635 10 10 DDCE COCc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)o1 782215838 WEWAELPHUVJKMZ-UHFFFAOYSA-N 306.270 1.877 10 10 DDCE CS(=O)(=O)C1CC(CNCc2cc(Cl)ccc2O)C1 1877115813 JJHCNTKCXNOHPO-UHFFFAOYSA-N 303.811 1.958 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H]2C[C@]2(CO)C1 782970482 CZBFKWDQJSBXOX-RHSMWYFYSA-N 303.406 1.585 10 10 DDCE Cc1ccc(C(=O)N2[C@H](C)CC[C@@H](C(N)=O)[C@H]2C)c(O)c1O 1163553227 OAPSGFLHWPDBLH-GMTAPVOTSA-N 306.362 1.521 10 10 DDCE C[C@H](NC(=O)Cc1ccc(-n2cnnn2)cc1)c1ccccc1O 1171729654 FSXSBKOUCMMOHH-LBPRGKRZSA-N 323.356 1.788 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCC(OCC(N)=O)CC2)cc1 1326636313 FRUUFSXPLVHIDX-ONEGZZNKSA-N 317.433 1.732 10 10 DDCE CN(C)C[C@H](O)CN(C)c1ccc(CO)c(Br)c1 690303884 PCZKGYFDSPVCAY-LBPRGKRZSA-N 317.227 1.300 10 10 DDCE C[C@@H](N)c1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)cc1Cl 78904592 ZLWRGGPHUVAYLB-MWLCHTKSSA-N 302.827 1.983 10 10 DDCE CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1566268591 FEVCGWUQQQWVSY-LBPRGKRZSA-N 321.373 1.973 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2ncc(C(N)=O)cc2Cl)c1 1584983867 UEDMOETWNLSYCP-UHFFFAOYSA-N 319.748 1.778 10 10 DDCE CNC(=O)NCCCNCc1cc(Cl)cc(OC)c1O 1964611799 LQZDZNVZINOBIA-UHFFFAOYSA-N 301.774 1.463 10 10 DDCE C[C@@H](C(=O)O)N1C(=O)/C(=C\N2CCCCC2)SC1=S 11765416 RGGMNEBXYRTQRY-INTFFVIUSA-N 300.405 1.647 10 10 DDCE C[C@@H](O)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2)SC1=S 1858592227 JKLFVMXMZRVBBP-PVVKEOSYSA-N 323.395 1.722 10 10 DDCE COC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)c1cc(O)c(O)c(O)c1 1866302799 DQZUHPWGNSTGQD-LSJOCFKGSA-N 321.329 1.360 10 10 DDCE CC[C@@H]1C(=O)NCCN1c1ccc(CN)c(Br)c1 228152634 YKJOJMKZFCCXLP-GFCCVEGCSA-N 312.211 1.623 10 10 DDCE COC(=O)CCN(C)S(=O)(=O)Nc1ccc(O)c(Cl)c1 232389432 COVXVRNIKRPGEI-UHFFFAOYSA-N 322.770 1.197 10 10 DDCE CC(=O)C(=O)[C@]1(O)CN(Cc2ccccc2)[C@]2(CCCOC2)C1 1939525858 FZGLDBBYAXJUHW-QZTJIDSGSA-N 317.385 1.331 10 10 DDCE C[C@H](CC(N)=O)N(C)Cc1cc(Br)ccc1O 1946073102 FAZVOEIWMSJRQR-MRVPVSSYSA-N 301.184 1.850 10 10 DDCE COCC1(NCc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1 1988834463 RFMWMUMTOUZJMO-UHFFFAOYSA-N 321.421 1.994 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCCC[C@@H]1C1OCCO1 2145809997 RMDWBMJWONBHTQ-IUODEOHRSA-N 319.405 1.823 10 10 DDCE NCc1ccc(N2CCCNC(=O)CC2)c(Br)c1 2028683877 XGWCGEOMRKCLDI-UHFFFAOYSA-N 312.211 1.624 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@](O)(CO)C2)cc1Br 313683931 ASKNPPBZQOCNFB-NOZJJQNGSA-N 315.211 1.402 10 10 DDCE CCC(=O)NCCNCc1cc(Br)ccc1O 393199141 FUAIWUJRMPTNIZ-UHFFFAOYSA-N 301.184 1.771 10 10 DDCE C[C@@H](NS(=O)(=O)c1csc(CO)c1)c1ccccc1O 2192627750 MYYKHEKHNYQZGY-SECBINFHSA-N 313.400 1.986 10 10 DDCE NCc1ccc(N2CC[C@@H]3C(=O)NC[C@@H]3C2)cc1Br 2100950307 ROZVCZWTHLACPS-PWSUYJOCSA-N 324.222 1.480 10 10 DDCE COc1ccc(N2CCS(=O)(=O)CC2)c(Br)c1 2215805051 LASGVPAUHFSFRA-UHFFFAOYSA-N 320.208 1.693 10 10 DDCE CSc1ncc(CNC(=O)N[C@@](C)(C(=O)O)C2CC2)s1 2284536277 FGUXFCOMCHSGRX-GFCCVEGCSA-N 315.420 1.918 10 10 DDCE NC(=O)[C@H]1CCC[C@H](NC(=O)C=Cc2ccc(O)c(O)c2)C1 2308001514 OURZOTGIVXPBRM-RYUDHWBXSA-N 304.346 1.271 10 10 DDCE CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 20603945 NIEINYVHGKOMHO-INIZCTEOSA-N 305.422 1.652 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)Cn1cncn1 66702348 YDOMYDWJEVSRQM-ZDUSSCGKSA-N 317.393 1.994 10 10 DDCE O=C(Cc1cncnc1)NCc1ccc(N2CCOCC2)cc1 278883922 ODDDMSVSVLICGI-UHFFFAOYSA-N 312.373 1.172 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 808548444 YIDGYDMGPDJJED-NSHDSACASA-N 313.350 1.333 10 10 DDCE CSCc1nc2ccccc2n1CC(=O)OCC(=O)C(C)=O 808498564 QNOVDUQJIDEMCE-UHFFFAOYSA-N 320.370 1.601 10 10 DDCE CCOc1ccccc1C(F)(F)C(=O)OCC(=O)C(C)=O 808528963 WHSGGOPVQQQTNQ-UHFFFAOYSA-N 300.257 1.878 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)C[C@H](O)CN2C)c1 901127107 HWKOZQGCTCNGQA-MMPTUQATSA-N 308.378 1.033 10 10 DDCE Cn1cc(CC2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)cn1 912759222 UDNYYETUDOXKSH-HWKANZROSA-N 313.357 1.546 10 10 DDCE COc1ncncc1/C=C1\SC(N2CCCCC2)=NC1=O 843268834 LREKILNPAIGRCV-XFFZJAGNSA-N 304.375 1.941 10 10 DDCE O=C1OC[C@@]2(CNCc3cc(Cl)ccc3O)COCCN12 865768446 JBRVJEDUPAQLGV-CQSZACIVSA-N 312.753 1.356 10 10 DDCE COCc1cncc(C(=O)NCc2cc(OC)ccc2O)c1 765589089 JLPMKERECOQKRQ-UHFFFAOYSA-N 302.330 1.872 10 10 DDCE COc1ccc(O)c(CNC(=O)Nc2cc(OC)nn2C)c1 881249714 IFCTWAVZLHUBEU-UHFFFAOYSA-N 306.322 1.465 10 10 DDCE Cc1nsc(C(=O)NCc2ccc(N3CCOCC3)cc2)n1 790054788 SYPXCGUFOIOHJI-UHFFFAOYSA-N 318.402 1.613 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](C1CCC1)[C@@H]1CCOC1 1302621520 RNQSGHVXXHWZHO-DYVFJYSZSA-N 305.374 1.962 10 10 DDCE CN(C)c1ccc(C=CC(=O)N2CC[C@H](C3OCCO3)C2)cc1 1963325220 LMYLGZHVUSTXLV-HNNXBMFYSA-N 316.401 1.987 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCC[C@H]2N)cc1 1326244602 IZJMUYUKDIBXOH-ARFHVFGLSA-N 304.438 1.386 10 10 DDCE Cc1ccc(O)c(CNS(=O)(=O)c2c(Cl)cnn2C)c1 1351396787 YCKNZXPKSUVNEI-UHFFFAOYSA-N 315.782 1.566 10 10 DDCE C[C@H]1C[C@@H](C(=O)N(CC(=O)O)Cc2ccccc2O)CCN1C 1354083117 LXUULFUDARVWMP-STQMWFEESA-N 320.389 1.536 10 10 DDCE CCOc1cc(CNCCN(C)C)ccc1N1CCNCC1 212029109 MDBTYJYPBQMHOF-UHFFFAOYSA-N 306.454 1.146 10 10 DDCE Cn1nc2c(c1C(=O)NCc1cccc(O)c1O)CSCC2 1520508926 PDVLVZVGTHAJNC-UHFFFAOYSA-N 319.386 1.551 10 10 DDCE COC(=O)c1cccc2c1CCN2C(=O)/C=C\c1cn(C)cn1 1538340788 WLKYHGGRNJWXPV-SREVYHEPSA-N 311.341 1.809 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)N(C)c1nn[nH]n1 1557697767 RQFCFTCAQNJADA-UHFFFAOYSA-N 302.363 1.945 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cccc2nc(O)oc12 1626837913 JXECOSDHSXZAGE-UHFFFAOYSA-N 300.270 1.875 10 10 DDCE COc1ccc(N(C)C(=O)c2c(C)c[nH]c2CC(N)=O)cn1 1625875960 NDTJDDNVWZVBSB-UHFFFAOYSA-N 302.334 1.031 10 10 DDCE C[C@@H](NC(=O)c1cccnc1OCCO)c1ccccc1O 1642827871 UASMMQUHNKKYOH-LLVKDONJSA-N 302.330 1.649 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccccc1Cn1cncn1 1643882373 UDXXRNOTQWHVOU-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc([N+](=O)[O-])n[nH]1 1640260035 OIDNASMLQRYPGI-UHFFFAOYSA-N 311.294 1.439 10 10 DDCE CCOC(=O)[C@H]1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 1772911358 LNYWWVTYZVVBLA-WOLRVDTOSA-N 319.357 1.913 10 10 DDCE CCN(CCNC[C@@H](C)O)C(=O)c1ccc(N=NC(N)=O)cc1 1699220409 ISZUUJGMFIQWCK-LLVKDONJSA-N 321.381 1.282 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)CS[C@@H]1CCS(=O)(=O)C1 1912181863 UEIMORQNEJPXQU-SECBINFHSA-N 306.413 1.066 10 10 DDCE C[C@@H]1C[C@H](CNCc2c(O)cccc2F)CCS1(=O)=O 1966091207 SPUBIUXTFRYNEX-GHMZBOCLSA-N 301.383 1.834 10 10 DDCE NC(=O)N1CC(NCc2cc(Br)ccc2O)C1 1917773671 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COc1ccc(Br)c(CNOCCN(C)C)c1O 2220450034 MZIAIXOIUDIBER-UHFFFAOYSA-N 319.199 1.746 10 10 DDCE O=C1C[C@H](NCc2cc(Br)cc(F)c2O)CO1 2253308188 PZDZSIXSZDAYHA-QMMMGPOBSA-N 304.115 1.699 10 10 DDCE CC(C)[C@@H](CN)NCc1cc(Br)c(O)cc1O 2248027790 AEGUDSQAXFMTIH-SNVBAGLBSA-N 303.200 1.933 10 10 DDCE CC[C@](NC(=O)C=Cc1ccc(O)c(O)c1)(C(N)=O)C(C)C 2308195206 AWXRSRLEZYTJIF-MRXNPFEDSA-N 306.362 1.517 10 10 DDCE Cc1ccc(CN(CCN)C[C@H](C)O)c(O)c1Br 2327796091 BJPRBWNPSZLPGN-JTQLQIEISA-N 317.227 1.605 10 10 DDCE CO[C@H]1CN(Cc2ccc(C)c(Br)c2O)C[C@@H]1N 2327796639 KLIWEITZWUQLLF-QWRGUYRKSA-N 315.211 1.621 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)C[C@@H]3COC[C@H]32)s1 2348134335 ZOERJEVBPYOMPG-JWKOBGCHSA-N 300.405 1.444 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2CCCn3ncnc32)cc1 176831660 JEEJZPRZEXJYLM-CQSZACIVSA-N 314.393 1.678 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCc2noc(C)n2)c1 173568414 JRRTXNBCXGQQQT-MRVPVSSYSA-N 306.322 1.653 10 10 DDCE COc1cc(C)cc(CN2CCN(CC(C)(C)O)[C@H](C)C2)c1O 188969771 XCYQFPLQMCQORH-CQSZACIVSA-N 322.449 1.986 10 10 DDCE Cc1cc(=O)[nH]cc1C(=O)N1CCOc2cc(N(C)C)ccc21 132482970 AFZZHZMPABVCQF-UHFFFAOYSA-N 313.357 1.789 10 10 DDCE C[C@H]1[C@@H](C)SCCN1C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 132571899 QHAMWUUSVATPCP-UMNHJUIQSA-N 310.419 1.320 10 10 DDCE O=C(OCc1ccc(O)cc1)[C@H]1NCCc2cc(O)c(O)cc21 85479322 MJAMUAQHPBOFFI-INIZCTEOSA-N 315.325 1.734 10 10 DDCE O=S(=O)(Nc1ccccc1CO)c1cccc2nsnc12 42266966 VCWKQAKFLZXUAN-UHFFFAOYSA-N 321.383 1.984 10 10 DDCE C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(O)c(O)c1)CS2 269070366 FJONBLPVQJPXCY-MEBBXXQBSA-N 322.386 1.168 10 10 DDCE C[C@H]1C[C@H](S(=O)(=O)NCc2ccc(N(C)C)cc2)CCO1 295679443 CCMUTIDWYPNCBB-SWLSCSKDSA-N 312.435 1.740 10 10 DDCE COc1cccc(-c2nc(C)c(C(=O)OCC(=O)C(C)=O)[nH]2)c1 808532841 NBIHJJYOBSXJKE-UHFFFAOYSA-N 316.313 1.709 10 10 DDCE C[C@H](O)CN1CCN(Cc2cc(Cl)c(F)cc2O)CC1 294776599 UBHVYQUCWCRJSF-JTQLQIEISA-N 302.777 1.683 10 10 DDCE O[C@H](CCNCc1ccc(N2CCOCC2)cc1)C(F)(F)F 809743388 QRGRHGALVHFCEQ-CQSZACIVSA-N 318.339 1.926 10 10 DDCE CC(C)N(Cc1cc(Cl)cc([N+](=O)[O-])c1O)C[C@@H](O)CO 817417623 LPQPEZJFTHYDEU-LLVKDONJSA-N 318.757 1.517 10 10 DDCE CCn1c(-c2cn(C)nn2)nnc1N(C)Cc1ccccc1O 828595019 FQZFNHLMKWXHIZ-UHFFFAOYSA-N 313.365 1.436 10 10 DDCE C[C@H]1C(=O)N(C)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 826019390 DZLLNOCXWPYQLN-JTQLQIEISA-N 308.357 1.221 10 10 DDCE COC(=O)[C@H]1COCCN1C/C=C/c1ccc(N(C)C)cc1 835029866 UBEYKQVKKBRTGK-DWTRPJMMSA-N 304.390 1.640 10 10 DDCE CO[C@@]1(CN[C@H](C)c2cc(F)ccc2O)CCS(=O)(=O)C1 903365084 HRZROMWPARVTKC-QMTHXVAHSA-N 317.382 1.386 10 10 DDCE CC[C@H](C)NC(=O)[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 588404894 WXSGDLCNOAMMAN-OBCZMHBZSA-N 306.362 1.530 10 10 DDCE Cn1nccc1[C@H]1COCCN1C(=O)c1cccc(O)c1O 846613756 ZIQFEVCVTAKRRJ-GFCCVEGCSA-N 303.318 1.045 10 10 DDCE C[C@H]1CC[C@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C1 842235107 CUOLDFJNLWSNNR-STQMWFEESA-N 303.406 1.575 10 10 DDCE O=C(NC[C@@]1(CO)CCc2ccccc21)c1cccc(O)c1O 846341448 COGGEQIAPKZJEM-GOSISDBHSA-N 313.353 1.704 10 10 DDCE Cc1cc(O)c(CN2CC[C@H](NS(C)(=O)=O)C2)c(Cl)c1 840916722 DQXCTYCTOHZPLG-JTQLQIEISA-N 318.826 1.478 10 10 DDCE C[C@@H](Cn1cncn1)NC(=O)NCc1cc(Cl)ccc1O 844940163 PPKIKHBYUOZFRV-VIFPVBQESA-N 309.757 1.525 10 10 DDCE O=S(=O)(CC[C@H]1CCOC1)NCc1c(O)cccc1F 921451944 ZFFNSQNRXWHTEI-SNVBAGLBSA-N 303.355 1.377 10 10 DDCE CC(=O)N[C@H](CC1CCC1)C(=O)NCc1c(O)cccc1F 928707674 GHJWGBTXTSEOCU-CQSZACIVSA-N 308.353 1.842 10 10 DDCE COc1ccc(N2CC[C@@H](N=c3cc[nH]c(C(N)=O)c3)C2)cc1 853758829 KYUGAKPBJFEURH-CYBMUJFWSA-N 312.373 1.302 10 10 DDCE CCO[C@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1O)CN(C)C 926961484 PFBAMEOMSIWLRT-WCQYABFASA-N 311.382 1.918 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3COC[C@@H]3C2)cc1 852668031 UNQUWXGDHBFULU-CVEARBPZSA-N 317.433 1.337 10 10 DDCE COc1cc(CN2CC[C@@H](Cn3ccnn3)C2)c(O)cc1C 853525002 PONVAZNHMNVUBY-CYBMUJFWSA-N 302.378 1.823 10 10 DDCE Cn1nccc1C(NCc1cc(F)ccc1O)c1ccnn1C 862539547 PDHQILDNLIFXGR-UHFFFAOYSA-N 315.352 1.878 10 10 DDCE COc1ccc(O)c([C@@H](C)NC2CN(c3ccncn3)C2)c1 866496846 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315.417 1.771 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2cnsn2)cc1C 1497792783 LLASSIMVZHFRRH-LLVKDONJSA-N 320.418 1.763 10 10 DDCE C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nccc(N)n1 1569596593 FGJVXYYVVOMXFZ-SGRBOOSSSA-N 300.318 1.361 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cc3n(n2)CCC[C@H]3O)c1 1640800428 OHUTZNZCGHTWIN-OAHLLOKOSA-N 301.346 1.654 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@H]2CCO[C@H]2C)cc1C 1691528171 IBNRBCRBJGWAIM-HOCLYGCPSA-N 320.433 1.977 10 10 DDCE C[C@H]1C[C@@H](CNCc2cccc(F)c2O)CCS1(=O)=O 1966092020 ZEIGGFDCGKEOQF-QWRGUYRKSA-N 301.383 1.834 10 10 DDCE COc1cccc(CNS(=O)(=O)N2CCC[C@H](C)C2)c1O 161121386 YSBHTKFDHSPSGY-NSHDSACASA-N 314.407 1.467 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H](C)[C@H](C)C(=O)O)CC2)cc1 322918802 KFTPALUCWDEEBE-STQMWFEESA-N 320.389 1.701 10 10 DDCE CC(=O)C(=O)[C@]1(O)C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 1919108372 YRYVQSVRPPWXNH-DVIHMLIVSA-N 311.378 1.684 10 10 DDCE OC[C@@H]1COC[C@H]1NCc1ccc(Br)cc1O 1942676821 RRWIXRGBQZEYPB-MWLCHTKSSA-N 302.168 1.252 10 10 DDCE 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CC(=O)C(=O)COC(=O)C1CCC(OC[C@H]2CCCO2)CC1 815346484 HXZOIQNVMROHFV-JXQTWKCFSA-N 312.362 1.442 10 10 DDCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C(=O)O)O1 901910030 AIQAHBIFMDMRRH-CZUORRHYSA-N 320.389 1.197 10 10 DDCE COc1cccc(CNC(=O)CC2CCN(OC)CC2)c1O 830540836 OERFKCGMTZZCIG-UHFFFAOYSA-N 308.378 1.681 10 10 DDCE COc1ccc(N(C)CCN(C)C[C@H](O)C(F)(F)F)cc1 844400679 GCLFDCKUHUYJOE-ZDUSSCGKSA-N 306.328 1.986 10 10 DDCE C[C@H](C1CC1)N(Cc1cc(O)n2ncc(C(=O)O)c2n1)C1CC1 846235567 HDQALMXAABARFK-SECBINFHSA-N 316.361 1.896 10 10 DDCE Fc1cc(CN[C@H]2CN3CCC[C@H]2C3)ccc1N1CCOCC1 924713775 GEXASLUPJPGTJN-RDJZCZTQSA-N 319.424 1.846 10 10 DDCE Cc1nn(C)c(C)c1CCNC(=O)NCCc1ccc(N)cc1 841707725 YLPBZAZJXLIOKE-UHFFFAOYSA-N 315.421 1.704 10 10 DDCE COC(=O)/C(C)=C/CNC(=O)NCc1ccc(OC)cc1O 925014406 FVLYTYFEOTUYPQ-UXBLZVDNSA-N 308.334 1.319 10 10 DDCE CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCO)C1 769664176 ZEZXJWJWYSVQIF-UHFFFAOYSA-N 316.401 1.943 10 10 DDCE CC(C)(C)OC(=O)N(C[C@H]1CCCO1)[C@H](CN=[N+]=[N-])C(N)=O 698402726 AKOLHGKXGGMAIC-NXEZZACHSA-N 313.358 1.567 10 10 DDCE CO[C@H]1COCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1O 868666696 HKBYBJGJVSELIQ-ZOWXZIJZSA-N 308.378 1.804 10 10 DDCE CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1CCNC1=O 897243857 XGFNHOURTSQKON-MRVPVSSYSA-N 306.343 1.273 10 10 DDCE C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)c3cccc(O)c3O)O2)CO1 899479982 PZEPZSSIMXHDAY-GDLVEWKHSA-N 307.346 1.554 10 10 DDCE CCOc1cccc(CN[C@@H](C[C@H]2CCCO2)C(=O)OC)c1O 895863110 KWRTVCAAJPRSAP-KGLIPLIRSA-N 323.389 1.991 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2nc(C)c[nH]2)cc1C 1317642740 LKMZSVNNUBBZOU-UHFFFAOYSA-N 316.405 1.897 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cc2cc[nH]c(=O)c2s1 1176576771 SCTRXTRCMYVREL-UHFFFAOYSA-N 316.338 1.931 10 10 DDCE CCCCN(CCCO)C(=O)C(=O)N1Cc2cccc(O)c2C1 1330471167 GSCBERBITJVXOW-UHFFFAOYSA-N 320.389 1.246 10 10 DDCE CC(C)[C@@H](N)CCN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1332115112 BETCQYYZKJGTBM-AWEZNQCLSA-N 319.405 1.066 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)[C@@]1([C@@H]2CCCCO2)CCCO1 1346697151 XMFAGRLESBWDMO-RDJZCZTQSA-N 321.373 1.832 10 10 DDCE CC1(C)C[C@@](C)(NC(=O)NCc2c(O)cccc2F)C(=O)O1 1346946094 PLICTWMXTQKVJZ-OAHLLOKOSA-N 310.325 1.815 10 10 DDCE NC(=O)c1ccc(CCC(=O)NCc2c(O)cccc2F)cc1 1456028449 ISKHMFJCBGSHKJ-UHFFFAOYSA-N 316.332 1.879 10 10 DDCE CN(C)c1ccc(NC(=O)CCN2C(=O)CSC2=S)cc1 1865768385 LGSKJCQPQOQAMM-UHFFFAOYSA-N 323.443 1.942 10 10 DDCE CCN(CC)c1ccc(CN(C)C(=O)CN2CCOCC2)cc1 1628857823 NUNNUTVTQOHCSU-UHFFFAOYSA-N 319.449 1.823 10 10 DDCE COc1ccc(CNC(=O)/C=C/[C@H]2COC(C)(C)O2)c(O)c1 1556354878 XNVUEISWCCBIFR-YBJDMEARSA-N 307.346 1.725 10 10 DDCE COC(=O)/C=C/c1ccc(C(=O)NCc2ccc(O)c(O)c2)o1 1635960191 ZYTYURXHRDFHNP-QPJJXVBHSA-N 317.297 1.807 10 10 DDCE O=C(NCc1c(O)cccc1F)c1ccc2nc(CO)[nH]c2c1 1645048441 WAGSKSOYBLSPCE-UHFFFAOYSA-N 315.304 1.830 10 10 DDCE C[C@@H](Cn1cncn1)NC(=O)N(C)Cc1ccc(N(C)C)cc1 158147158 BRTSMOMFOFXXQL-ZDUSSCGKSA-N 316.409 1.574 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCN(CCCN2CCCS2(=O)=O)C1 1912176524 ADXRVZDLGHHMGX-LBPRGKRZSA-N 301.416 1.434 10 10 DDCE C[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)c1nccs1 235107578 YZNBVMBEGLNVGM-JTQLQIEISA-N 311.432 1.948 10 10 DDCE CCNCc1cc(F)c(N2CC(S(C)(=O)=O)C2)c(F)c1 2152286800 QYYGBOMZKFXBNE-UHFFFAOYSA-N 304.362 1.308 10 10 DDCE CN(Cc1ccc(F)c(F)c1O)C[C@@H]1CCCS1(=O)=O 703583751 HUAKSNPUXYYKKX-JTQLQIEISA-N 305.346 1.679 10 10 DDCE CC(C)(CC(N)=O)NCc1c(O)cccc1Br 706863842 QVBQUKNGMWXIRG-UHFFFAOYSA-N 301.184 1.898 10 10 DDCE CO[C@@H]1C[C@@H](O)CN(c2ccc(CN)c(Br)c2)C1 2046666225 YOXGMNMVTMGWNY-VXGBXAGGSA-N 315.211 1.494 10 10 DDCE Oc1c(Br)cccc1CNCC[C@@H]1COC[C@@H]1O 2048704057 CKWMIIXSAZMKNQ-PWSUYJOCSA-N 316.195 1.642 10 10 DDCE CSc1ncc(CN=c2[nH]c([C@H](N)C(=O)O)cs2)s1 2269095887 OWLMZSWQJKKRTR-ZETCQYMHSA-N 316.433 1.440 10 10 DDCE CSc1ncc(CNC(=O)N2CC([C@@H](C)C(=O)O)C2)s1 2284536055 DEWFJMIRGZFIBG-SSDOTTSWSA-N 315.420 1.727 10 10 DDCE CSc1ncc(CNC(=O)NC[C@@H](C)[C@@H](F)C(=O)O)s1 2284542961 CDCTUXJWQYWXMQ-HTRCEHHLSA-N 321.399 1.723 10 10 DDCE C[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)C(=O)NC(C)(C)C 2307986500 CZNFDJTZTVFDFM-JTQLQIEISA-N 306.362 1.530 10 10 DDCE Cc1ccc(CNC2(CO)CC(O)C2)c(O)c1Br 2327621919 SATLOQCFDGMNQQ-UHFFFAOYSA-N 316.195 1.439 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4COC[C@@H]43)c(Br)cc21 2331657942 FEQPRANZBHSDAI-LKXWSVAYSA-N 324.178 1.236 10 10 DDCE CSc1ncc(CN[C@](CN)(C(=O)O)C(C)(C)C)s1 2350344789 NYVDPMITCOUINK-GFCCVEGCSA-N 303.453 1.783 10 10 DDCE CSc1cc(N2CCS(=O)(=O)[C@H](C)C2)ccc1CN 2353856178 XIYGFPGQKNHOMJ-SNVBAGLBSA-N 300.449 1.491 10 10 DDCE O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12 6092198 VYAKIUWQLHRZGK-UHFFFAOYSA-N 302.238 1.988 10 10 DDCE endogenous,in-man NC(=O)CCCOC(=O)/C=C/c1ccc(N2CCOCC2)cc1 177058375 MRTBXJGAGYLYHB-VMPITWQZSA-N 318.373 1.345 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(Cl)c1 2361609961 TXYAVKLHOAFQEH-UDZFHETQSA-N 314.838 1.854 10 10 DDCE CN(C)C(=O)[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 122653791 VWVUCPWOFWHWQE-QGZVFWFLSA-N 317.433 1.576 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCC[C@@H]2CCCO2)cc1 70490736 GYZHAJPLMSFCGW-ZDUSSCGKSA-N 314.407 1.136 10 10 DDCE CC(C)(C)N1CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 48926881 HIPZYXJADYAQNN-UHFFFAOYSA-N 311.451 1.515 10 10 DDCE CN1C[C@H](CCN2CCNCC2)c2cc3c(cc21)OCCO3 527415206 APWFVIGXKVAQRL-ZDUSSCGKSA-N 303.406 1.287 10 10 DDCE O=C1CCN(Cc2cccc(F)c2O)CCC[C@H](CO)CCN1 257185996 YCYUAGQZKWYICT-ZDUSSCGKSA-N 324.396 1.632 10 10 DDCE COCc1noc(CN(C)c2cc(OC)c(OC)c(OC)c2)n1 272225193 IETISXHRESQENG-UHFFFAOYSA-N 323.349 1.878 10 10 DDCE COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1cc(F)ccc1O)C2 376019225 NYRSPAXLSOHSPV-BLLLJJGKSA-N 309.337 1.543 10 10 DDCE CC(=O)C(=O)COC(=O)c1csc(-c2ncccc2F)n1 808532557 BKOUSCZMVDHYSA-UHFFFAOYSA-N 308.290 1.659 10 10 DDCE C[S@](=O)(CCCCN)=NC(=O)Cc1ccc(O)c(O)c1 2166623311 GSQBVWFCXOMQQX-FQEVSTJZSA-N 300.380 1.004 10 10 DDCE CC(=O)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)nc1C 808522466 URXSYVYHRZZKKS-UHFFFAOYSA-N 305.265 1.030 10 10 DDCE C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)NC(C)(C)C 588408053 CZNFDJTZTVFDFM-ZEBCKKTISA-N 306.362 1.530 10 10 DDCE CCOc1ccc(O)c(CNC[C@H]2CN(C3CC3)C(=O)O2)c1 848577308 DBTHETSVTGSRPP-AWEZNQCLSA-N 306.362 1.864 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3ccc(CN)o3)C2)cc1 852843622 CTHQOVZYOWJATN-LBPRGKRZSA-N 315.373 1.756 10 10 DDCE CC[C@@](C)(CO)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855222875 BPHOMPCDIHLZNX-DYVFJYSZSA-N 306.406 1.799 10 10 DDCE O=C(CNC(=O)C1CCCCC1)NCc1c(O)cccc1F 928709889 MZUHZXVANXXLKB-UHFFFAOYSA-N 308.353 1.844 10 10 DDCE COCCn1cc(C(=O)NCc2c(O)cccc2F)c(C)n1 928708486 MGYDQWQINSYVMB-UHFFFAOYSA-N 307.325 1.613 10 10 DDCE Cc1cc(Br)c(O)c(CNC[C@H](O)[C@H](C)O)c1 865739254 OOIXQDNJJDLPSB-KWQFWETISA-N 304.184 1.294 10 10 DDCE C[C@H]1C[C@H](C)CN(S(=O)(=O)N2Cc3cccc(O)c3C2)C1 867691128 XCEFHXQTPVZGLV-RYUDHWBXSA-N 310.419 1.931 10 10 DDCE COc1ccc(N2CCN(c3nccc(CO)n3)CC2)cc1 767153636 DSOMZEFSZVDYGJ-UHFFFAOYSA-N 300.362 1.304 10 10 DDCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@H]4C[C@H]43)nc12 761095426 QDCGLULMYSELLW-BXKDBHETSA-N 302.334 1.206 10 10 DDCE Cc1ccc([C@H](C)NC[C@@]23COCCN2C(=O)OC3)c(O)c1 866520555 GVBGJZUFSQAJNZ-LRDDRELGSA-N 306.362 1.572 10 10 DDCE CO[C@@H](C(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 871200146 ZEIHUYIODPIVRU-CYBMUJFWSA-N 307.346 1.591 10 10 DDCE CON(C)C(=O)[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 899148218 ODDDNPBLQQSQRT-ZETCQYMHSA-N 324.358 1.451 10 10 DDCE O=C(CN1CCCNC1=O)NCc1c(O)ccc2ccccc12 1304089986 UIBIHLFJCBQNRM-UHFFFAOYSA-N 313.357 1.577 10 10 DDCE CC(C)(C)n1nnc(C(=O)Nc2c(Cl)ccc3nonc23)n1 1329641748 KSXOKVHNHLNNDA-UHFFFAOYSA-N 321.728 1.870 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccccc1-n1ccnn1 1456236975 RVWBRDJGMOWNQB-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE C[C@@H](O)[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCO1 1629765782 NXCVFHKWHDHWHT-SKDRFNHKSA-N 306.322 1.071 10 10 DDCE Cc1ccc(C(=O)NCC(=O)NCc2c(O)cccc2O)s1 1558533534 FGGAHTFGMGSHQJ-UHFFFAOYSA-N 320.370 1.514 10 10 DDCE CNC(=O)Nc1ccc(C(=O)NCc2cccc(O)c2O)cc1 1558161611 OAICHPLAFUJYHY-UHFFFAOYSA-N 315.329 1.779 10 10 DDCE Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cc(O)ccc2O)n1 1633599062 NKNMKEVJJBJENH-UHFFFAOYSA-N 303.274 1.639 10 10 DDCE O=C(NCc1cccc(Cl)c1O)c1ccc2nc(O)[nH]c2n1 1637227166 PXOGJEPPNJZDJF-UHFFFAOYSA-N 318.720 1.953 10 10 DDCE C[C@H](CCNCCF)NC(=O)c1ccc(N=NC(N)=O)cc1 1568715267 NUTRPNFFZNHOJM-SNVBAGLBSA-N 309.345 1.917 10 10 DDCE CC(C)COC[C@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1635821108 PPJLNONKPGODME-CYBMUJFWSA-N 322.365 1.612 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2cnn(C)n2)cc1C 1567062921 SGIDCBIRSJYLID-LBPRGKRZSA-N 317.393 1.040 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCC(=O)Nc1ccccc1 1585943641 XKELGDXPOQBVGH-UHFFFAOYSA-N 314.341 1.785 10 10 DDCE C[C@@H](NC[C@H](O)C(C)(C)O)c1ccc(N2CCOCC2)cc1 1653994461 SSLUSWOQBSVYBY-CJNGLKHVSA-N 308.422 1.306 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1c[nH]nc1-c1ccncc1 1593873187 KVRSRTMXVPQWKP-UHFFFAOYSA-N 310.313 1.813 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)[C@H](CO)NC(=O)OC(C)(C)C 1887711864 BVQOMAULPYRFJF-VIFPVBQESA-N 301.347 1.031 10 10 DDCE CS(=O)(=O)C[C@H]1CCCCN1Cc1cccc(F)c1O 824913751 DOWUGFKAVXKWIH-GFCCVEGCSA-N 301.383 1.930 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CC(F)C3)c(Br)cc21 1916990942 INGUFSALAAJHGY-JTQLQIEISA-N 300.131 1.559 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H]1[C@@H](O)[C@H](N)c1ccccc1O 1920259305 KIOXKHJHQZZTFY-MRVWCRGKSA-N 308.378 1.762 10 10 DDCE O=C1COC[C@H](c2cc(Cl)cc(Br)c2O)N1 1951965988 KDTJJHVVEVJBNK-MRVPVSSYSA-N 306.543 1.996 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O 1974155796 BYHTXVBVBYWHDX-XMPBJOIFSA-N 318.200 1.919 10 10 DDCE C[C@@H](CS(=O)(=O)N(C)C)N[C@@H](C)c1c(O)cccc1O 2151097713 HSSORFXHCJIBPE-UWVGGRQHSA-N 302.396 1.028 10 10 DDCE Oc1ccc(Br)cc1CNC[C@H]1C[C@H](O)CCO1 2036672008 LIVPTMZTXXFXTG-VXGBXAGGSA-N 316.195 1.784 10 10 DDCE OCc1ccc(N2CCOC[C@@H](CO)C2)cc1Br 2036963464 GSXXCTMKRXQHIQ-SNVBAGLBSA-N 316.195 1.387 10 10 DDCE CN(c1ccc(CO)c(Br)c1)C1CC(C(N)=O)C1 703523991 DLXHXHSLOMXXIZ-UHFFFAOYSA-N 313.195 1.642 10 10 DDCE C[C@@H]1CN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)CCN1 2053929336 OEGGVNAZJSGQST-OAHLLOKOSA-N 315.417 1.357 10 10 DDCE CNCCOCCN(C)Cc1ccc(Br)cc1O 706655738 NESWOWQRBCXJBW-UHFFFAOYSA-N 317.227 1.823 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3C[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3)c2n1 2062262651 JAOLPOLLVBWHNH-IMIFBBOLSA-N 312.373 1.861 10 10 DDCE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)Cc2ccc(N)cc2)C1 2095718422 DUMXYXLRHCTUTG-DOMZBBRYSA-N 304.390 1.811 10 10 DDCE CSc1ncc(CN2CC(=O)N[C@](C)(C3CC3)C2=O)s1 2284664523 GCDNOZSPYCFWQS-CYBMUJFWSA-N 311.432 1.492 10 10 DDCE COc1c(Cl)cc(COc2nnc(=N)[nH]n2)cc1Cl 2340056959 YWQPRVGFJGZZIV-UHFFFAOYSA-N 302.121 1.574 10 10 DDCE COCC1(O)CC(C(=O)NCc2cnc(SC)s2)C1 2343952415 IJPLHKBVSKMLLO-UHFFFAOYSA-N 302.421 1.269 10 10 DDCE CCOC(=O)c1nnc(Sc2ncc([N+](=O)[O-])s2)o1 226766462 WNOATUORYQILAP-UHFFFAOYSA-N 302.293 1.762 10 10 DDCE CCCN[C@@H]1C(=O)Nc2cc(N3CCS(=O)CC3)ccc21 105261904 MOMGEDVXNIWGBR-AWEZNQCLSA-N 307.419 1.248 10 10 DDCE CC(C)C(=O)N1CCCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 172539235 GVRAADNNHPQISJ-UHFFFAOYSA-N 321.377 1.991 10 10 DDCE Cc1ncsc1C(=O)N1CCN(c2ccc(N)cc2)CC1 35367302 YONGBKIDBLEKAU-UHFFFAOYSA-N 302.403 1.996 10 10 DDCE C[C@@H](NC(=O)OCc1ccccc1)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1953950162 IYCXOFXQHLMKNM-MRVWCRGKSA-N 318.373 1.567 10 10 DDCE Cc1cc(CNS(=O)(=O)CCOc2ccc(N)cc2)no1 70490802 GMBKUKGLUWQXRI-UHFFFAOYSA-N 311.363 1.064 10 10 DDCE C[C@@H]1CO[C@H](CO)CN1c1ccc(CN)cc1Br 212904323 UXMOJWXPYJPZPA-KOLCDFICSA-N 315.211 1.494 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(C(C)(C)C(=O)O)cs1 2365341193 FFTMWRVYECEMEQ-UHFFFAOYSA-N 321.424 1.504 10 10 DDCE O=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1cc(O)nc(O)c1 228823170 RLJQYSRHZCTCNX-UHFFFAOYSA-N 310.653 1.702 10 10 DDCE CN(CC(=O)NCc1ccc(N(C)C)cc1)CC1(CO)CC1 190033113 STZDUESMFOBLHX-UHFFFAOYSA-N 305.422 1.073 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N(CC2CC2)C2CC2)cc1 80364226 QGMLACDFDIVGHH-UHFFFAOYSA-N 310.419 1.852 10 10 DDCE O=C1CSC(=S)N1CCCN1C(=O)CSC1=S 248071489 YGOORZRHUXFOLY-UHFFFAOYSA-N 306.459 1.097 10 10 DDCE COc1ccc(-n2ccc(C(=O)OCC(=O)C(C)=O)n2)cc1 808508974 GLCDYOKPEGAKAY-UHFFFAOYSA-N 302.286 1.196 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 821807300 PQRRZGXJHCYEQF-YUSALJHKSA-N 301.346 1.672 10 10 DDCE C[C@H]1CCCCCN1Cc1cc(O)n2ncc(C(=O)O)c2n1 737750339 LJZRFRGXCGQAFY-JTQLQIEISA-N 304.350 1.898 10 10 DDCE CN(Cc1c(O)ccc2ccncc12)C[C@H]1CCS(=O)(=O)C1 740865235 QTQQZSNGNNVIDO-GFCCVEGCSA-N 320.414 1.807 10 10 DDCE COc1ccc(CNC(=O)c2ccc3c(n2)OCCO3)c(O)c1 848022604 FFSFWSUNPRRLMK-UHFFFAOYSA-N 316.313 1.497 10 10 DDCE CCc1c(C(=O)NCc2ccccc2O)[nH]c(C)c1C(N)=O 747974017 AQNQUZINHXOHBQ-UHFFFAOYSA-N 301.346 1.620 10 10 DDCE CC[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)[C@@H]1CCCCO1 848604257 XCMXSASZRISWDO-KBPBESRZSA-N 305.378 1.671 10 10 DDCE C[C@@H](NC(=O)NC/C=C\CN)c1ccc(N2CCOCC2)cc1 841739484 ALZIHBZUJKPEKE-PYLYLYNFSA-N 318.421 1.398 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cnsn3)C2)cc1 855233005 VNIIVSAXRHYAMT-JTQLQIEISA-N 304.375 1.555 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](OC)C3CC3)C2)cc1 855226799 SDSYEJFKDSVZQD-CZUORRHYSA-N 304.390 1.815 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)c1cnc[nH]1 865027414 ORXQFXNXKIJPSN-OAHLLOKOSA-N 302.378 1.558 10 10 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O=C(Cc1ccc(O)c(O)c1)NCc1ccc2c(c1)OCCO2 1588204977 BOZSOJKMJBJTGK-UHFFFAOYSA-N 315.325 1.728 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1COC(=O)C1 1683602160 JFSNYVXWAQEZKM-AWEZNQCLSA-N 317.389 1.744 10 10 DDCE CNC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 157513809 PNUVBQXNTROQQC-AWEZNQCLSA-N 322.384 1.312 10 10 DDCE CC(C)(C)[S@@](C)(=O)=NC[C@@H](O)COc1ccc(N)cc1 1913860173 BECZPAPAFQIXFX-MPBGBICISA-N 300.424 1.905 10 10 DDCE COC[C@@](C)(CO)CNCc1cccc(Br)c1O 1926990395 RPGASTGMAZRGQS-CYBMUJFWSA-N 318.211 1.889 10 10 DDCE CC[C@@H](CS(C)(=O)=O)N[C@H](C)c1cc(OC)ccc1O 2146300408 USQXCUGDUYIABD-MNOVXSKESA-N 301.408 1.875 10 10 DDCE CC(C)(C)OC(=O)N1CCCN1C(=O)c1cc(O)c(O)c(O)c1 1988123259 LLELHTYFHIXCMN-UHFFFAOYSA-N 324.333 1.801 10 10 DDCE C[C@H](NCc1cccc(Br)c1O)c1nc(O)n[nH]1 392344325 DOJIUYSEZBDTJF-LURJTMIESA-N 313.155 1.829 10 10 DDCE CNCc1ccc(N2CCOC[C@@H](O)C2)cc1Br 399985881 MWTMJHDNKKIMTK-LBPRGKRZSA-N 315.211 1.366 10 10 DDCE C[C@H](c1cc([N+](=O)[O-])ccc1O)n1cc(C(=O)N(C)C)cn1 2069900630 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CC1CCN(c2ccc(CNC(=O)[C@@H]3CNC(=O)C3)cc2)CC1 108295413 JUUXTBOWNZUHDM-HNNXBMFYSA-N 315.417 1.675 10 10 DDCE O=C1NC(=S)N(C2CCCCC2)C(=O)/C1=C\NC1CCCC1 103079349 VRGATYVFXYYHST-RAXLEYEMSA-N 321.446 1.979 10 10 DDCE C[C@@H]1Oc2ccc(N)nc2N(CCOc2ccc(N)cc2)C1=O 75259198 GSAAGCXOAPRAES-JTQLQIEISA-N 314.345 1.439 10 10 DDCE Cc1ccc(S(=O)(=O)NCCOc2ccc(N)cc2)cc1 32205444 CHEYHBHWLFXQBY-UHFFFAOYSA-N 306.387 1.935 10 10 DDCE O=S1(=O)CCC[C@@](O)(CNCc2ccc(Cl)cc2O)C1 2368422729 NGQHGFZNUUUTJI-CYBMUJFWSA-N 319.810 1.075 10 10 DDCE C[C@H](N)c1ccc(N2CCC[C@H]2C(N)=O)c(Br)c1 700394501 UBMDWHREYLIDRN-UFBFGSQYSA-N 312.211 1.923 10 10 DDCE COC(=O)[C@@H](CF)NCc1ccc(N2CCN(C)CC2)cc1 809776596 KGCHRSNKSGJATJ-OAHLLOKOSA-N 309.385 1.039 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 808502432 IHIABKCRENRKHF-NOZJJQNGSA-N 303.314 1.596 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@@H]2CCNC(=O)CC2)cc1F 815150891 GDLPPECQPLFSIX-LBPRGKRZSA-N 307.369 1.424 10 10 DDCE COc1ccc(N2CCN(C[C@@H](C)S(C)(=O)=O)CC2)cc1 827309235 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CC(C)[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1 1118945917 MIJCDWOEYWHKBX-HNNXBMFYSA-N 318.373 1.118 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@](C)(O)C(C)C)CC2)cc1 770211257 BFIPDBHNFQPLAW-KRWDZBQOSA-N 306.406 1.751 10 10 DDCE CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 898546623 RQKWGYLIOOUERS-CABZTGNLSA-N 311.309 1.461 10 10 DDCE Cn1c(O)nc2cc(C(=O)NCc3cc(O)ccc3O)ccc21 1303223445 PVXNNGKOFZEJAL-UHFFFAOYSA-N 313.313 1.620 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC[C@@]1(O)C[C@H]2CC[C@H]1C2 1159448337 KEFBEPUOVOTCLL-GDZNZVCISA-N 305.374 1.698 10 10 DDCE COC(=O)c1ccnc(C(=O)NCc2ccc(N(C)C)cc2)c1 1264261821 IGYWYUJTRZCABA-UHFFFAOYSA-N 313.357 1.864 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)NCCC2CC=CC2)cc1 1340899056 GGFNXYNOAGFDAE-UHFFFAOYSA-N 315.417 1.841 10 10 DDCE CN1C(=O)CS/C1=C\C(=O)NCc1cc(Cl)ccc1O 1469877488 PLFFRPQWNIOYNP-ACAGNQJTSA-N 312.778 1.708 10 10 DDCE CCN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1=O 1466756140 HWNMAEWVUUFERP-UHFFFAOYSA-N 303.322 1.153 10 10 DDCE C[S@](=O)[C@@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1611683753 ZFOOUSUBMVNFNJ-ZSDNHXBWSA-N 322.390 1.878 10 10 DDCE C[S@@](=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 1558946253 VFYGBRVGPYHHFE-JOCHJYFZSA-N 323.345 1.904 10 10 DDCE CCOCC(=O)N1CC[C@@H](CNCc2ccc(OC)c(C)c2)C1 1714338226 QLQOGGSEDIIVAY-INIZCTEOSA-N 320.433 1.978 10 10 DDCE CN(C)C(=O)N1CCC(C(=O)NCc2cc(O)ccc2O)CC1 1558174974 WCLGJQXWQFEATD-UHFFFAOYSA-N 321.377 1.108 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(O)(CO)CC1 1632364813 UPPPEUSGPWSIPP-UHFFFAOYSA-N 323.370 1.272 10 10 DDCE CCN(C)c1ccc(CNC2(C(=O)OC)CCOCC2)cc1 1658660115 ZRTNDWKGBVMEBU-UHFFFAOYSA-N 306.406 1.955 10 10 DDCE C[C@H](O)CN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 1858587000 OLRHBYKFPLHSQS-QOMRTYFESA-N 323.395 1.997 10 10 DDCE CN(CC[S@](C)=O)c1c(F)cc(C=CC(=O)O)cc1F 1911853095 YKUJWEDWTWKUCY-FQEVSTJZSA-N 303.330 1.877 10 10 DDCE COC(=O)[C@H]1C[C@]1(N)c1cc(Br)cc(OC)c1O 1952955204 USDPZHYHFIVXKR-PELKAZGASA-N 316.151 1.510 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)Nc2ccc(N)cc2)C1 1991831499 HKNXJYMUCQNYAA-INIZCTEOSA-N 321.377 1.579 10 10 DDCE CNC(=O)[C@@H]1CCCN1Cc1ccc(Br)cc1O 691673827 FAPRMWDSDTVMDL-NSHDSACASA-N 313.195 1.865 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)[C@@H](C)c1c(O)cccc1O 2170516373 QFHRVRBSQJWSNC-MNOVXSKESA-N 301.408 1.914 10 10 DDCE Nc1cc(Br)ccc1C(=O)C(=O)C[C@H]1C[C@H](N)C1 2049784490 MKIXXFZXJWLULW-XWEPSHTISA-N 311.179 1.911 10 10 DDCE C[C@@H](O)c1cc(F)c(N(C)[C@@H]2CCS(=O)(=O)C2)c(F)c1 2194507146 BECCJKOJCZMSLR-PSASIEDQSA-N 305.346 1.641 10 10 DDCE CSc1ncc(CNC(=O)N2CC([C@@H](F)C(=O)O)C2)s1 2284509358 VSOPODNVQFIZDK-MRVPVSSYSA-N 319.383 1.429 10 10 DDCE COc1cc(OC)c(N2C[C@@H](CO)[C@H](CO)C2)cc1Cl 2285874328 UESKNLPWTWGAFT-UWVGGRQHSA-N 301.770 1.394 10 10 DDCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(O)cc1 2297329249 LCGXWBUNZZADFG-UHFFFAOYSA-N 323.308 1.971 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@](O)(C(F)(F)F)C1 2308001375 CQYYMJDPIZDWSM-CYBMUJFWSA-N 317.263 1.637 10 10 DDCE CCO[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 301608646 AAMCGGMSHHRZEK-JTQLQIEISA-N 321.333 1.931 10 10 DDCE CC(=O)N(C(=O)C(=O)N1CCCC[C@@H]1C)c1ccc(N)cc1 170318572 WPAWSRHXKOECSD-NSHDSACASA-N 303.362 1.549 10 10 DDCE O=C(c1cccc(O)c1O)N1CCC(Nc2cccnn2)CC1 185662407 HEFBJTKBPMBARS-UHFFFAOYSA-N 314.345 1.605 10 10 DDCE C[C@H](NCc1ncn(C)n1)c1ccc(N2CCOCC2)cc1 90969177 WLONMOZTFSTQEJ-ZDUSSCGKSA-N 301.394 1.503 10 10 DDCE CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cccc(O)c3O)[C@@H]2C1 365756386 DYZZQAWRCLNFEP-MPKXVKKWSA-N 307.346 1.506 10 10 DDCE COCc1nc([C@H]2COCCN2Cc2ccccc2O)no1 378533688 AXWLZKPPGXLACZ-GFCCVEGCSA-N 305.334 1.495 10 10 DDCE Fc1cc(CN2C[C@H]3COC[C@@H](C2)O3)ccc1N1CCOCC1 802657496 GLNHXVPRMXJQEJ-GASCZTMLSA-N 322.380 1.262 10 10 DDCE CC1(C)CN(c2c(F)cc(CN)cc2F)CCS1(=O)=O 2170279525 XPSOFZDJVFCCDZ-UHFFFAOYSA-N 304.362 1.437 10 10 DDCE COc1ccc(Br)cc1C(=O)OCC(=O)C(C)=O 808519960 JAKMBTOYGIIEPB-UHFFFAOYSA-N 315.119 1.773 10 10 DDCE COc1cc(O)c(CN2CC[C@@](O)(C(F)F)C2)cc1OC 824726764 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316.285 1.170 10 10 DDCE CCOc1ccc(CNC[C@]2(OCCO)CCOC2)c(O)c1 850358662 TYJNWMBMUNRJBT-MRXNPFEDSA-N 311.378 1.049 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)nn3C)C2)cc1 855228918 FZHVJHSUNFOVRU-CYBMUJFWSA-N 314.389 1.746 10 10 DDCE CCOCc1cc(CNCC2(N)CCOCC2)ccc1OC 863482021 PVSLGZXZAJVFDR-UHFFFAOYSA-N 308.422 1.829 10 10 DDCE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccc(F)c(F)c1O 876753661 INCMOCSZQGYPSI-RKDXNWHRSA-N 305.346 1.678 10 10 DDCE O=C(NCc1cccc(O)c1O)[C@@H]1CCCN(C2CC2)C1=O 1123888385 IGFZLLDSVXKLTH-LBPRGKRZSA-N 304.346 1.115 10 10 DDCE CN(C)c1ccc(CNC[C@](C)(O)CO)c(C(F)(F)F)c1 794748436 PYSATGAXXIJKPU-ZDUSSCGKSA-N 306.328 1.604 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@H]1CCN(CC(F)(F)F)C1 1153884763 HMQSQYODEXOYFV-VIFPVBQESA-N 318.295 1.598 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC1(OCCO)CCCCC1 1158209939 RTJUJOJIJFTTGQ-UHFFFAOYSA-N 323.389 1.468 10 10 DDCE C[C@@H](NCc1cc(Cl)ccc1O)[C@@H]1CCS(=O)(=O)C1 895156251 UECOCRIZDXIMHO-NXEZZACHSA-N 303.811 1.958 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CC[C@H]2C[C@@H]2C1 1351392529 FOWHKHMZCVPNJZ-IPYPFGDCSA-N 316.401 1.903 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cc([N+](=O)[O-])ccc1O 1643882228 QTVZGWNBEBEIGN-UHFFFAOYSA-N 304.258 1.642 10 10 DDCE COc1cc(N2CCc3c[nH]nc3C2)c([N+](=O)[O-])cc1OC 1642483347 DIVDNTSITSSVNA-UHFFFAOYSA-N 304.306 1.898 10 10 DDCE CCN1CC[C@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 1640771221 HLDBAMGMDVHITL-INIZCTEOSA-N 305.422 1.684 10 10 DDCE Cn1nc2c(c1NC(=O)Cc1ccc(O)c(O)c1)CCCC2 1648047803 OWVIWJUMPZTHEF-UHFFFAOYSA-N 301.346 1.891 10 10 DDCE OCCC[C@H](CO)NCc1cc(Br)ccc1O 1942761049 CIFUBYDFTXHBKA-LLVKDONJSA-N 304.184 1.378 10 10 DDCE CC(C)(C)OC(=O)N1CC(CNC(=O)c2ccc(O)c(O)c2)C1 1982310882 CHTOZWYOQUSDKR-UHFFFAOYSA-N 322.361 1.695 10 10 DDCE C[C@H]1CN(S(=O)(=O)Nc2ccc(O)cc2Cl)C[C@@H](C)O1 2145851566 OHTDMIIDHPPFPN-DTORHVGOSA-N 320.798 1.812 10 10 DDCE COC(=O)[C@H](CNC(=O)OC(C)(C)C)NCc1ccccc1O 301015043 MMWDIZLPBLXDDJ-LBPRGKRZSA-N 324.377 1.548 10 10 DDCE CNCc1ccc(N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(F)c1 2170283435 MURMMYSPBRVFLN-QWRGUYRKSA-N 300.399 1.557 10 10 DDCE CN(c1ccc(CN)c(Cl)c1)C1CCS(=O)(=O)CC1 710640321 ZGHYETKGRCHWPG-UHFFFAOYSA-N 302.827 1.812 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCN(C)[C@@H](C(C)C)C3)c2n1 2062216264 JHBBGGISRWZFJB-CYBMUJFWSA-N 317.393 1.156 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)Cc3cnc(C)s3)c2n1 2064347857 XTWZFKFDQPKPQP-UHFFFAOYSA-N 317.374 1.780 10 10 DDCE Cc1nc(CNCc2ccc(Br)cc2O)nn1C 2070659423 LPMXSGZPBOZHRD-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE CN(C)C(=O)[C@H]1C=CCN1c1ccc(CN)c(Br)c1 2265641342 QZAXRKHMKONXPL-CYBMUJFWSA-N 324.222 1.741 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@H](C)CNC2CC2)s1 2269277618 CSESNTVQWFIUCN-MRVPVSSYSA-N 321.493 1.425 10 10 DDCE CC[C@H](C)N1C(=O)C[C@H](NCc2cnc(SC)s2)C1=O 2284696264 BFMJMUPJUXLOEF-WPRPVWTQSA-N 313.448 1.881 10 10 DDCE COc1cc(OC)c(N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1Cl 2285876421 YZMABTFAQRPOHI-OUJBWJOFSA-N 305.733 1.237 10 10 DDCE C[C@H](O)c1ccc(N2CC(O)(C(F)(F)CO)C2)cc1Cl 2288527187 YMXDTSBDYAMWOJ-QMMMGPOBSA-N 307.724 1.572 10 10 DDCE Cc1ccc(CNC(=O)C(F)(F)CN)c(O)c1Br 2327585911 JHXBWEFZWSTTDB-UHFFFAOYSA-N 323.137 1.673 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCOC2(C)C)s1 2346099842 IZWDTEMIPOTHHL-LBPRGKRZSA-N 302.421 1.977 10 10 DDCE COc1cccc(CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)c1O 105651778 OQDBYZAZUMLKGM-LBPRGKRZSA-N 306.362 1.274 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1cccc(C(N)=O)c1 178610026 RXDKDICTSOBUNR-UHFFFAOYSA-N 320.370 1.312 10 10 DDCE CCCS(=O)(=O)N1CCc2cc(N3CCOCC3)ccc21 41122109 FWMLVKTZRLLLLZ-UHFFFAOYSA-N 310.419 1.626 10 10 DDCE COc1cc(Cl)c(N2C[C@@H](OC)C[C@@H]2CN)c(OC)c1 2368110887 NBSXIMDIUNBTKE-KOLCDFICSA-N 300.786 1.910 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCCC(=O)N2)c1 194367462 AZNBRCPGFFUFPI-GXFFZTMASA-N 306.362 1.637 10 10 DDCE CCOc1ccc(O)c(CN2CCc3nn(C)c(=O)cc3C2)c1 93756721 GVAPJSKSAUVENH-UHFFFAOYSA-N 315.373 1.443 10 10 DDCE CCn1ncc(CNC(=O)NCc2cc(Cl)ccc2O)n1 528086098 VFULGHCFGRWFTA-UHFFFAOYSA-N 309.757 1.656 10 10 DDCE COc1cc(O)c(CN2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)cc1OC 249464618 GTSGLFRVCCCKBK-NQZFBYBASA-N 305.374 1.611 10 10 DDCE CCOc1ccc(O)c(CNC2(CC(=O)OC)CCOCC2)c1 268016775 GRWXSDZYBOMOJK-UHFFFAOYSA-N 323.389 1.993 10 10 DDCE O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCCOC1 288751082 QWKFOGUNNZFTRD-GFCCVEGCSA-N 324.764 1.989 10 10 DDCE C[S@@](=O)CC1CN(c2cc3c(cc2Cl)[C@H](O)C(=O)N3)C1 2166654506 VGFYZFSOIDFSIL-FKIZINRSSA-N 314.794 1.140 10 10 DDCE CN1CCN(c2ccc(CN3C[C@@H]4COC[C@]4(C)C3)cc2)CC1 827280056 CZLLBUMIYOTQFT-MJGOQNOKSA-N 315.461 1.907 10 10 DDCE C/C(=C/C(=O)NCc1cc(C)ccc1O)CN1CCOCC1 913000861 XXYBLCIXZNTKBL-UVTDQMKNSA-N 304.390 1.595 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)O[C@@H]3CCOC3)C2)cc1 917168216 APMGANSEQKOKIB-IUODEOHRSA-N 306.362 1.789 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCCOC2)cc1 844956852 OCFFNFRVZZGLFS-AWEZNQCLSA-N 321.421 1.952 10 10 DDCE C[C@H](NC(=O)NCc1cc(Br)ccc1O)[C@@H](C)N 842007392 SUZIXJYFKDDMEZ-SFYZADRCSA-N 316.199 1.690 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccn(C2CCOCC2)n1 910955443 FCLCMTNRQUSXKE-UHFFFAOYSA-N 317.345 1.576 10 10 DDCE CN(CCNC(=O)NCc1c(O)cccc1F)CC(F)(F)F 918114664 LOADRWXDKAYBNR-UHFFFAOYSA-N 323.290 1.825 10 10 DDCE COc1cccc(CNC(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c1O 926657864 PVQZKFFZZOJFDR-DYEKYZERSA-N 322.361 1.004 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CN(C)C(=O)N1 854374346 RVEQQOXRRLCUGX-ZDUSSCGKSA-N 305.378 1.545 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H](N)COC(C)C)CC2)cc1 851629389 INOSIOBJWOCYRU-INIZCTEOSA-N 321.421 1.096 10 10 DDCE O=S(=O)(C[C@@H]1CCC1(F)F)NCc1ccc(O)cc1O 867417443 VMANIIDQEILWIG-VIFPVBQESA-N 307.318 1.563 10 10 DDCE C[C@H]1CN(C(=O)CN(C)c2ccc3c(c2)OCO3)CC(C)(C)O1 930095732 ZECLESZLPQBGNY-LBPRGKRZSA-N 320.389 1.877 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3CSC[C@@H]3C2)cc1 868309312 JIMIOPFXXFXZQK-MNOVXSKESA-N 305.403 1.419 10 10 DDCE CNC(=O)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O 774844370 ADSSTEWKSVIPIV-LLVKDONJSA-N 309.322 1.019 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC(O)(C(C)C)C2)c([N+](=O)[O-])c1 786803068 DKMGGMGRKBESHL-FNORWQNLSA-N 320.345 1.988 10 10 DDCE COCC(COC)NC(=O)c1cc2cc(O)c(O)cc2s1 897905616 ONSNFWKQSPRTCS-UHFFFAOYSA-N 311.359 1.704 10 10 DDCE Cc1cccc(-n2c(C)cc(C(=O)NC[C@](C)(O)CO)c2C)c1 798264847 ZOTDKXGEIPPOAM-SFHVURJKSA-N 316.401 1.876 10 10 DDCE COC(=O)[C@@H](C)N(C(=O)Cc1ccc(O)c(O)c1)C1CCC1 1154217718 YESVNTLVISZCOJ-SNVBAGLBSA-N 307.346 1.583 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCC[C@H]1N 1328607241 XNGDEDAQBFMJHZ-UONOGXRCSA-N 303.406 1.996 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCC[C@@H]3N)C2)cc1 1340591301 RKZHZVHQGSQLTG-XKQJLSEDSA-N 317.433 1.908 10 10 DDCE O=C(N[C@@H]1COC2(CCC2)C1)C(=O)N1Cc2cccc(O)c2C1 1350445568 XHTYLSMPDMJRSY-LBPRGKRZSA-N 316.357 1.062 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)cc1 1446531572 FGPUQSWMIOVUHM-GFCCVEGCSA-N 312.333 1.859 10 10 DDCE C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)CN1CCCCC1 1543353089 DSFBAABGGRSHNC-CYBMUJFWSA-N 306.406 1.879 10 10 DDCE O=C(NC1CC1)[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1626190675 MPVBUTRCFGQEDH-LBPRGKRZSA-N 318.373 1.158 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncc(Cl)cn1 1624953931 CEGMWTMDOKQUBZ-QMMMGPOBSA-N 307.737 1.902 10 10 DDCE COCc1nn(C)cc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1638347337 FZUFEHZYJFPVEM-SNVBAGLBSA-N 319.361 1.339 10 10 DDCE COc1ccc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)c(O)c1 161033544 WFHCSPBIPQOTHX-MRXNPFEDSA-N 320.389 1.224 10 10 DDCE Cn1ncc(NCCc2ccc(N)cc2)c(Br)c1=O 159318420 PKMWKBHVQLWANG-UHFFFAOYSA-N 323.194 1.780 10 10 DDCE COc1cc(S(=O)(=O)N2CC[C@@H](CN=[N+]=[N-])C2)sn1 1912199935 ZONKMZWUNIQQBK-ZETCQYMHSA-N 303.369 1.473 10 10 DDCE CN[C@H](c1ccccc1O)[C@](C)(O)CNC(=O)OC(C)(C)C 1921905223 IQGGJTJAFXZQBA-CZUORRHYSA-N 310.394 1.928 10 10 DDCE CC(C)(C)OC(=O)NOCC[C@H](N)Cc1ccc(O)c(O)c1 1952707967 YQUVQFPYDHURSC-NSHDSACASA-N 312.366 1.814 10 10 DDCE CN1C[C@@H](c2ccc(N)cc2O)N(C(=O)OC(C)(C)C)CC1=O 1952980920 BQJXYPPRFLKDDD-LBPRGKRZSA-N 321.377 1.725 10 10 DDCE CC(C)(C)OC(=O)NC1CN(c2cc3c(cc2N)OCCO3)C1 1977933182 HOKMSUZYVLZEBH-UHFFFAOYSA-N 321.377 1.753 10 10 DDCE O=S1(=O)C[C@@H]2CN(Cc3ccc(F)c(F)c3O)C[C@H]2C1 2144164131 DTPOPSKPRARVBN-UWVGGRQHSA-N 303.330 1.147 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980371125 UIYCMEKSKQSADC-CYDGBPFRSA-N 324.421 1.945 10 10 DDCE CN(Cc1ccc(N)cc1)C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1993250416 HXQMZJKSJJBRQC-ZDUSSCGKSA-N 323.393 1.113 10 10 DDCE NCc1ccc(N2CC[C@@H]3[C@H](CO)[C@@H]3C2)c(Br)c1 2032184917 LXQDZGCMEBLOSA-TUAOUCFPSA-N 311.223 1.972 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H]2CC[C@@H]3[C@H]2C3(F)F)cc1 2158362968 QOSYXFPRVCVRPU-IJLUTSLNSA-N 302.346 1.732 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)C3CCC(O)CC3)c2n1 2062056020 KUOCRPCNZWRDKX-UHFFFAOYSA-N 304.350 1.119 10 10 DDCE CN(C[C@H](F)C(F)(F)F)S(=O)(=O)Cc1ccc(N)cc1 2179760593 GYKONUZBMVVOJL-JTQLQIEISA-N 314.304 1.931 10 10 DDCE CCOC(=O)Cc1cc(O)n2nc(C3CC3)c(C(=O)OC)c2n1 2080920054 BPBHOJARSNIIJQ-UHFFFAOYSA-N 319.317 1.205 10 10 DDCE C[C@]1(F)C[C@H](NS(=O)(=O)CCOc2ccc(N)cc2)C1 2198573517 SQRZZVMFORYPGI-AULYBMBSSA-N 302.371 1.458 10 10 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CZEWDECQSGCIKN-GMOODISLSA-N 301.795 1.627 10 10 DDCE CN(Cc1ccncc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 301620961 MYRFKHUWZZPMBE-UHFFFAOYSA-N 314.301 1.957 10 10 DDCE Cc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)n1C 33441623 GQRHHXCRTRVVTA-YHYXMXQVSA-N 310.400 1.928 10 10 DDCE NCc1ccc(N2CCO[C@@H](CO)C2)c(Br)c1 212904232 LBMQFLXJZNDFFG-SNVBAGLBSA-N 301.184 1.105 10 10 DDCE Cc1cc2c(n1-c1ccc(S(N)(=O)=O)cc1)CCC[C@@H]2O 41713333 WDZGBSWTEIFJEG-HNNXBMFYSA-N 306.387 1.803 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 221743322 UXOYHLRRSURCQL-USEMIUTHSA-N 319.317 1.093 10 10 DDCE CCN(CC(N)=O)c1ccc(CN)c(Br)c1F 231840947 MVTNYSUVIITLDE-UHFFFAOYSA-N 304.163 1.359 10 10 DDCE O=S(=O)(CCNCc1ccc(F)cc1O)C(F)(F)F 2224288180 AKONBCMXOMWZGJ-UHFFFAOYSA-N 301.261 1.556 10 10 DDCE Cc1n[nH]cc1-c1nnc(NC(=O)c2cccc(O)c2O)s1 368736125 MPKCVUAGLWXNTL-UHFFFAOYSA-N 317.330 1.900 10 10 DDCE O=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cccc(O)c1O 283611094 LXWAPAKSQNXBSL-NHYWBVRUSA-N 321.373 1.395 10 10 DDCE CN(C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc2c(c1)OCO2 801526002 VXRBCZSJDLJJGX-LLVKDONJSA-N 312.391 1.133 10 10 DDCE COc1cc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2N)cc(O)c1O 390759904 YWXCVERAXJZGKV-GHMZBOCLSA-N 324.377 1.768 10 10 DDCE COC[C@@](C)(O)CCNCc1cc(Cl)cc(OC)c1O 824559104 FZXFNXNWWHPIID-AWEZNQCLSA-N 303.786 1.931 10 10 DDCE CCOc1cccc(CNC[C@H]2CCCCN2CCO)c1O 824583116 IBDNHPVNVCZICL-OAHLLOKOSA-N 308.422 1.727 10 10 DDCE O=C1Nc2cc(N3CCS[C@H](CO)C3)c(Cl)cc2[C@H]1O 720037966 OGNPLGAGKMBKBQ-JVXZTZIISA-N 314.794 1.240 10 10 DDCE CC1(C)CN(CCNC(=O)/C=C\c2ccc(O)c(O)c2)CCO1 588406195 LBPYHFCXXADMSC-XQRVVYSFSA-N 320.389 1.338 10 10 DDCE CN(C)C(=O)C1(NCc2cc(Cl)cc([N+](=O)[O-])c2O)CC1 840957338 LEGRXMBNUPGKSN-UHFFFAOYSA-N 313.741 1.664 10 10 DDCE COc1ccc(N2CC[C@@H](NS(=O)(=O)CC3CC3)C2)cc1 849415882 GWLSFBUJBBZTBL-CYBMUJFWSA-N 310.419 1.603 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@H](CCF)C(=O)O)cc1F 844295129 OYWZLSVIJRDBAO-LLVKDONJSA-N 315.320 1.504 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CCNC1=O 852383754 JXECXYDTGBFPEJ-DOMZBBRYSA-N 318.421 1.180 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCNCC3)C2)cc1 852900007 GHGUWOUUSCQRGL-LSDHHAIUSA-N 317.433 1.780 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2CCNC23CCC3)cc1 861550031 WVNLKDGEMLGVAC-OAHLLOKOSA-N 302.422 1.836 10 10 DDCE COc1ccc(N2CCN(C(=O)CSC)CC2)c(OC)c1 870163324 XOIAUPPJQOUKMV-UHFFFAOYSA-N 310.419 1.715 10 10 DDCE CS(=O)(=O)[C@H]1C[C@@H](CNCc2ccc(Cl)cc2O)C1 1877119256 HTZSCJIKNABKOV-WVSHTKLVSA-N 303.811 1.958 10 10 DDCE COc1nn(C)cc1NC(=O)NCc1ccc(N(C)C)cc1 788832920 UOTJPLHSANMKFX-UHFFFAOYSA-N 303.366 1.816 10 10 DDCE O=C(NC[C@H](O)[C@H]1CCCO1)c1cc2cc(O)c(O)cc2s1 899131171 NQIBBNHLFRPGPO-NWDGAFQWSA-N 323.370 1.582 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)OC(C)(C)C 796034403 SLFZBJHWFWQWPR-MXWKQRLJSA-N 311.334 1.086 10 10 DDCE CN(CC(=O)NCc1cccc(O)c1O)c1ccc(Cl)cn1 1153798668 VKERLIJAUBNRHW-UHFFFAOYSA-N 321.764 1.899 10 10 DDCE Cc1c(C(=O)NCc2c(O)cccc2O)cnn1-c1ccncc1 1156880847 DFMKIMDYSSGNNH-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE NC(=O)c1ccc(/C=C\C(=O)NCc2c(O)cccc2F)o1 1156170118 HFLWRRHXSFNZPQ-ALCCZGGFSA-N 304.277 1.553 10 10 DDCE COc1ccc2c(c1)NC1(CCN(C)CC1)CN2CCCN 76931204 UDQRQLJDQBMSOO-UHFFFAOYSA-N 304.438 1.740 10 10 DDCE CO[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1885557350 NXGUWDAYMMNUCF-DTWKUNHWSA-N 301.347 1.341 10 10 DDCE O=[N+]([O-])c1cc(Cl)cc(CNCCOCCCO)c1O 1323981546 OBTLPMXFYDKHCL-UHFFFAOYSA-N 304.730 1.442 10 10 DDCE C[C@@H](NCc1c(O)cccc1Br)C(=O)NC1CC1 706852155 USERKWSXNOEGJJ-MRVPVSSYSA-N 313.195 1.911 10 10 DDCE CC(C)(CNS(C)(=O)=O)NCc1ccc(F)c(F)c1O 708293370 QZBBAHHOYTWEBY-UHFFFAOYSA-N 308.350 1.088 10 10 DDCE CNCc1ccc(N(C)[C@@H](C)CS(C)(=O)=O)cc1Cl 688560181 MRELWXVVSQKBQU-JTQLQIEISA-N 304.843 1.929 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)c2ccc[nH]2)cc1C 1507171137 AYFSKVWYFPTVQR-AWEZNQCLSA-N 317.389 1.212 10 10 DDCE Cc1cc(C)cc(-n2c(C)cc(C(=O)NC[C@@H](O)CO)c2C)c1 1456721176 NJMHMMLZIRMYBN-MRXNPFEDSA-N 316.401 1.794 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1cnn2c1NCCC2 1469249587 NHEZJJBDVOPYHX-UHFFFAOYSA-N 323.356 1.883 10 10 DDCE COc1ccc(CNC[C@H](C)N(C)C(=O)CNC(C)=O)cc1C 1715316742 FDYCNVQGCDWDAY-ZDUSSCGKSA-N 321.421 1.076 10 10 DDCE O=C(c1ccc(Cn2ccnn2)o1)N1Cc2cccc(O)c2C1 1644088544 ZBBFFJMMKPRPNH-UHFFFAOYSA-N 310.313 1.781 10 10 DDCE C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ncon1 1652494664 AYSQVXFRHZOAMX-MRVPVSSYSA-N 302.294 1.766 10 10 DDCE CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc(O)c1O 854642061 IKMNAUZBZWFDSE-OLZOCXBDSA-N 306.362 1.033 10 10 DDCE Nc1ccc(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc1 237884406 MOPHVTCPQGLXNO-KRWDZBQOSA-N 309.369 1.511 10 10 DDCE CC[C@@H](c1ccccc1O)N(C)CCN(C)S(C)(=O)=O 2146942950 GISMYCUKJMZLDW-ZDUSSCGKSA-N 300.424 1.667 10 10 DDCE CC(C)(C)OC(=O)NCC1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCC1 1980368878 DAFDXUMCGPXQFT-HAQNSBGRSA-N 324.421 1.947 10 10 DDCE C[C@H](N[C@H](C)CS(=O)(=O)N(C)C)c1ccc(O)cc1O 2151097386 DZSLJTRMDBFVAZ-ZJUUUORDSA-N 302.396 1.028 10 10 DDCE CN(c1ccc(CO)c(C(F)(F)F)c1)C1CS(=O)(=O)C1 2152234795 YRUSHRDHYOINPT-UHFFFAOYSA-N 309.309 1.431 10 10 DDCE Cn1cc(Br)c(NC(=O)Cc2ccc(N)cc2)n1 2038257853 UODLGBBLEQCGDC-UHFFFAOYSA-N 309.167 1.946 10 10 DDCE Oc1cc(Br)ccc1CNCCCc1nn[nH]n1 691394622 GELCPJXGEAEEPG-UHFFFAOYSA-N 312.171 1.390 10 10 DDCE CNC(=O)CN(C)c1ccc([C@@H](C)N)cc1Br 723174347 BCGFTJUXFQYYNW-MRVPVSSYSA-N 300.200 1.651 10 10 DDCE CCOC(=O)Cc1cc(O)n2nc(C)c(C(=O)OCC)c2n1 2080920500 JDEZZVGBAGQLHR-UHFFFAOYSA-N 307.306 1.026 10 10 DDCE Oc1cc(Br)ccc1CN[C@@H]1CCC[C@H](O)[C@@H]1O 2217643115 QMJPEKFXCDUNPK-NTZNESFSSA-N 316.195 1.519 10 10 DDCE NCc1ccc(N2CC3(CCC(=O)N3)C2)cc1Br 2222149701 HMIAXJUHFAONIO-UHFFFAOYSA-N 310.195 1.377 10 10 DDCE Cc1nc(Cl)ncc1NS(=O)(=O)Cc1ccc(N)cc1 2238119963 PZYZWJXHSCTIDM-UHFFFAOYSA-N 312.782 1.963 10 10 DDCE CSc1ncc(CNS(=O)(=O)C2CC(C(=O)O)C2)s1 2269126534 YMRGSKRRMFWHDE-UHFFFAOYSA-N 322.433 1.148 10 10 DDCE COc1cc(OC)c(N(C)C[C@H]2COCCN2)cc1Cl 2285871389 OMCGIXLOAQQPCA-JTQLQIEISA-N 300.786 1.782 10 10 DDCE O=C(O)CN1C(=O)C(=Cc2cccc(C(=O)O)c2)SC1=S 2297351161 ZLBQGFMDKAWMFF-UHFFFAOYSA-N 323.351 1.671 10 10 DDCE Cc1ccc(CN[C@H]2CN(C)C[C@H]2O)c(O)c1Br 2327621214 LALWNUHUATZEAP-WDEREUQCSA-N 315.211 1.228 10 10 DDCE Cc1ccc(CN2C[C@@H](N)C[C@@H](O)C2)c(O)c1Br 2327621701 QBMFQRXPOAOUBV-WDEREUQCSA-N 315.211 1.357 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCC[C@@H]2CN)s1 2349499746 GJUQBXVLXMSYLF-PRHODGIISA-N 301.437 1.537 10 10 DDCE COC[C@@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 103520658 RARPRNQHZXFPCN-GFCCVEGCSA-N 324.396 1.686 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CC[C@H](N3CCOCC3)C2)c1 173985733 LTQVFHMJBDFMQS-AWEZNQCLSA-N 307.350 1.207 10 10 DDCE NCc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1 63191137 GAYFSORWBQKVES-UHFFFAOYSA-N 320.399 1.951 10 10 DDCE CCc1ncc(S(=O)(=O)N(CC)Cc2ccc(N)cc2)[nH]1 70418344 SWYZYFXGWHMLIN-UHFFFAOYSA-N 308.407 1.765 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@](O)(C(F)(F)F)C1 181115133 CQYYMJDPIZDWSM-CXLRFSCWSA-N 317.263 1.637 10 10 DDCE COc1ccc(N2CCN(C(=O)c3ncccc3N)CC2)cc1 322072980 APBKIJXAULFTFT-UHFFFAOYSA-N 312.373 1.635 10 10 DDCE O=C(NC[C@@H]1Cc2ccccc2CO1)c1cc(O)nc(O)c1 238903256 RRAJNLNJSBHWFC-ZDUSSCGKSA-N 300.314 1.364 10 10 DDCE COc1cc(C)cc(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c1O 246980196 SZDWDLHMQUXNSR-VXGBXAGGSA-N 313.419 1.717 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NCC2(C)OCCCO2)c1 277384694 XXAAFSXPXBSJFC-LLVKDONJSA-N 309.362 1.983 10 10 DDCE COC(=O)[C@@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CCSC1 272644804 MBZLFUGUCWHVDO-SJDLMVEWSA-N 323.370 1.276 10 10 DDCE COc1ccc(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)c(O)c1 378120882 TXQRCFOQBUISEA-NSHDSACASA-N 316.361 1.481 10 10 DDCE COC(=O)[C@H](CF)NCc1cccc(Br)c1O 809776534 IEPGBIBYWOHLHA-VIFPVBQESA-N 306.131 1.755 10 10 DDCE CC(=O)C(=O)COC(=O)CCCc1nnc(-c2ccccc2)o1 808503677 KIDTWPSMBQLOBA-UHFFFAOYSA-N 316.313 1.761 10 10 DDCE CN1C(=O)C(=Cc2ccccc2-c2ccnn2C)C(=O)N(C)C1=O 814186492 GYBAOMMTJQUUPP-UHFFFAOYSA-N 324.340 1.521 10 10 DDCE C[C@@H]1CC[C@H](O)CN1Cc1ccc(N2CCN(C)CC2)cc1 817414647 NDGNYYJJTAZXMV-QAPCUYQASA-N 303.450 1.784 10 10 DDCE COC(=O)C1(C(=O)NCc2ccc(O)c(O)c2)CC2(CCC2)C1 830558749 ALJNQLIWYJDNCT-UHFFFAOYSA-N 319.357 1.838 10 10 DDCE COC(=O)c1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C)o1 830531263 GQJAQYNKNTZTEA-UHFFFAOYSA-N 319.313 1.758 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@@H](CCC(=O)O)C(=O)O)cc1 904050684 NXJDMCWDXZGTEI-XGACYXMMSA-N 306.362 1.673 10 10 DDCE Cc1cc(C)c([C@@H](C)NC[C@@H](O)CS(C)(=O)=O)c(O)c1 927026151 PUTUJBTZNNQPDZ-VXGBXAGGSA-N 301.408 1.065 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C3(N(C)C)CC3)C2)cc1 855223292 GJQZEONEVDNWFC-ZDUSSCGKSA-N 303.406 1.484 10 10 DDCE Oc1cc2c(cc1CN1CCOC[C@H]1C(F)(F)F)[C@@H](O)CO2 768444624 AUWXCCVNTJQWRF-AAEUAGOBSA-N 319.279 1.581 10 10 DDCE COC(=O)c1cc(OCC(=O)N(C)C2CC2)ccc1N(C)C 865396063 IPVXZWZINQHDDK-UHFFFAOYSA-N 306.362 1.539 10 10 DDCE COC(=O)c1cc(OC[C@@H](OC)[C@@H]2CCOC2)ccc1N(C)C 865395015 GGYCXYYFUPHOCO-MLGOLLRUSA-N 323.389 1.970 10 10 DDCE Cn1nnnc1CCNCc1ccc(N2CCCCC2)cc1 771878328 XZERCQVQNMWMGY-UHFFFAOYSA-N 300.410 1.533 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CCO)c1cccs1 1137517075 CTXUQEWXMDKOTE-LLVKDONJSA-N 307.371 1.942 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)CC(F)(F)F)cc1 1137786856 OQIKQPDSYHDSSP-VIFPVBQESA-N 318.255 1.892 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(O)c(O)c2)[C@H](O)C1 1896046242 WTRNRTFSVHEEBK-SMDDNHRTSA-N 324.377 1.168 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1COCCN1c1ccc(N)cc1 1959553901 QCKRBADVZJZFEO-AWEZNQCLSA-N 307.394 1.999 10 10 DDCE COC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1CCCOC1 1178048692 WGXIOVQGIJRRTC-QWHCGFSZSA-N 309.362 1.198 10 10 DDCE Oc1c(Br)cccc1CNCC[C@@]1(O)CCOC1 404204419 MHORFTUCKSKCSB-CYBMUJFWSA-N 316.195 1.786 10 10 DDCE CNC(=O)CCCNCc1cc(Br)ccc1O 398373141 PPSDDUUGUOCQHH-UHFFFAOYSA-N 301.184 1.771 10 10 DDCE CO[C@](C)(CO)CNCc1cc(Br)cc(F)c1O 715720768 KLPIDTOTLBRZFT-LBPRGKRZSA-N 322.174 1.781 10 10 DDCE O=C(O)[C@@H]1CCCN1S(=O)(=O)Nc1ccc(O)c(Cl)c1 689223732 RTKYHEMKCOKXJV-VIFPVBQESA-N 320.754 1.251 10 10 DDCE CCOC[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1330473137 UXGXKZYNOFUDNI-GFCCVEGCSA-N 318.373 1.119 10 10 DDCE O=C(NCc1nc(O)c2ccccc2n1)c1cccc(O)c1O 1450636092 BZWXDQJENWLBDY-UHFFFAOYSA-N 311.297 1.677 10 10 DDCE CN(C)c1ccc(CNC(=O)c2ccnc3ccnn23)cc1F 1535618452 FWYAYANPDNQDNB-UHFFFAOYSA-N 313.336 1.864 10 10 DDCE CSc1ncc(CN=c2[nH]cc(C(N)=S)s2)s1 2253251725 QFZDNOKGVCXOIT-UHFFFAOYSA-N 302.475 1.990 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2cnc(C)[nH]2)cc1C 1481216216 VPWIOUQHLZAWQF-UHFFFAOYSA-N 316.405 1.897 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1COc2ccccc2[C@H]1O 1641876155 WACRGFYAWREJSM-SJKOYZFVSA-N 315.325 1.251 10 10 DDCE CC(=O)N(C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1571842184 UMDWGBCQPOGYRB-VIFPVBQESA-N 305.338 1.446 10 10 DDCE CN1NC(=O)[C@H](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O 169996150 YBROFIRHIOFSKY-VIFPVBQESA-N 315.251 1.153 10 10 DDCE COc1ccc(Br)c(CN2CC(C)(N)C2)c1O 1204985416 IYZWCKYSQCINMO-UHFFFAOYSA-N 301.184 1.696 10 10 DDCE CC(C)(C)OC(=O)N1CC([C@@H](O)[C@@H](N)c2ccccc2O)C1 1920142938 KBVLFLFADZQEJK-UONOGXRCSA-N 308.378 1.620 10 10 DDCE CN(C)[C@@H]1COC[C@@H]1NCc1cc(Br)ccc1O 1922042531 RTWBPTSKWCJTAN-NWDGAFQWSA-N 315.211 1.573 10 10 DDCE OC1(CN(Cc2ccccc2)c2ccc3c(c2)CCO3)CNC1 1977744608 OXLXXOZATGWALY-UHFFFAOYSA-N 310.397 1.962 10 10 DDCE C[C@H](O)c1ccc(N(C)CC(CO)CO)c(Br)c1 2033014684 RDPYCNBZDVUSTB-VIFPVBQESA-N 318.211 1.539 10 10 DDCE CNCc1cc(F)c(N2CC(CS(C)(=O)=O)C2)c(F)c1 2159455336 YTBZUYZRKSFLQQ-UHFFFAOYSA-N 304.362 1.165 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@@H](CO)C2)cc1Br 316549249 MFUIVOZXGZHLSC-JRKPZEMJSA-N 315.211 1.258 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)c(Cl)c1 702989652 YFEWQUYZRZOEMJ-GXSJLCMTSA-N 318.826 1.521 10 10 DDCE CO[C@@H]1CN(c2cc(Cl)c(CN)cc2F)[C@H]2COC[C@@H]12 2177386937 CKZDUKRDKIYFDC-BIGNPOOSSA-N 300.761 1.788 10 10 DDCE Cn1cc(CNCc2ccc(O)c(O)c2)c(Br)n1 720648633 PJCLVSFOYZWDLX-UHFFFAOYSA-N 312.167 1.884 10 10 DDCE CC1(C)C[C@@H](S(C)(=O)=O)CN1Cc1cc(F)ccc1O 2179903679 ZLJPGWVGIJISNJ-GFCCVEGCSA-N 301.383 1.929 10 10 DDCE C[C@H]1CS(=O)(=O)CCN1c1c(F)cc([C@@H](C)N)cc1F 2194692310 UZOLHLQKNAYVFM-DTWKUNHWSA-N 304.362 1.608 10 10 DDCE NCc1ccc(N2C[C@H]3C[C@H]2[C@@H]3CO)c(F)c1Br 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COc1ccc(N2CCN(C(=O)c3ccc(=O)oc3)CC2)cc1 74725799 USGWUJGZZAUCIH-UHFFFAOYSA-N 314.341 1.611 10 10 DDCE COC[C@H](O)CN(C)c1ccc(CN)c(Br)c1 228150306 YHQGDCGFCSDLRH-LLVKDONJSA-N 303.200 1.351 10 10 DDCE O=C(CN1C(=O)CSC1=S)Nc1ccc(F)cc1F 82336811 PEJUHZQAOFAXSB-UHFFFAOYSA-N 302.327 1.764 10 10 DDCE CCN(OC)C(=O)CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 826532123 RTBFDAWPAJPIPP-LBPRGKRZSA-N 322.409 1.523 10 10 DDCE CC[C@H](O)[C@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 912293508 YRVOUVSNIKKXOM-XEZPLFJOSA-N 306.406 1.797 10 10 DDCE O=C1N[C@H](C(=O)NCCCSc2nccs2)CS1 746021523 HCJVTWGETKAJID-ZETCQYMHSA-N 303.434 1.567 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)C[C@H]2CCNC2)cc1 846697347 OLILNSAAYWBURI-CQSZACIVSA-N 305.422 1.589 10 10 DDCE Cc1ccc(C(=O)N2CC[C@H](Nc3ncccn3)C2)c(O)c1O 843943048 WEFDTQHMJRASKZ-NSHDSACASA-N 314.345 1.523 10 10 DDCE CCOc1ccc(O)c(CN(C)C[C@@H]2CCS(=O)(=O)C2)c1 769468208 CSESGVLETRUKJJ-LBPRGKRZSA-N 313.419 1.657 10 10 DDCE COCc1cncc(C(=O)NCCc2ccc(O)c(O)c2)c1 765590946 ZGWBRIGCTIRGRQ-UHFFFAOYSA-N 302.330 1.612 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1C[C@H]1C1CC1 1119902627 KLXKOEGOAVAYCI-HIFRSBDPSA-N 316.401 1.903 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc2[nH]cnc12 773745987 RUBHKZBEKCSKRT-VIFPVBQESA-N 312.329 1.730 10 10 DDCE C[C@@H](c1ccc(Cl)cc1O)N(C)CCS(=O)(=O)N(C)C 2203342568 WHWNOPOYRMANEU-JTQLQIEISA-N 320.842 1.930 10 10 DDCE COc1ccc(N2CCN(C(=O)c3nccc(C)n3)CC2)cc1 791452934 XANPDINWESUEOX-UHFFFAOYSA-N 312.373 1.756 10 10 DDCE CN1Cc2ccccc2[C@H](NC(=O)c2cc(O)cs2)C1=O 1300995554 YFLZCQXPOFZMMT-ZDUSSCGKSA-N 302.355 1.897 10 10 DDCE CCN[C@H](C)c1ccc(N(C)CCS(C)(=O)=O)c(F)c1 94298844 UWHPALUGWWTOEB-LLVKDONJSA-N 302.415 1.977 10 10 DDCE CC(C)C(=O)N1CCCC[C@H]1C(=O)NCc1cccc(O)c1O 1263894612 OCWISKJIFBBFOC-ZDUSSCGKSA-N 320.389 1.751 10 10 DDCE CN(c1cc(Cl)c(CN)cc1F)[C@H]1CCS(=O)(=O)C1 2120881139 IOXFOTMORYTMGM-VIFPVBQESA-N 306.790 1.561 10 10 DDCE O=C(NC1CCN(C(=O)C2CC2)CC1)c1c(F)ccc(O)c1O 1558905668 OAWWRTRHKWIXTI-UHFFFAOYSA-N 322.336 1.368 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc2c(O)ncnc2c1 1558535790 NXKDQNLEZHFCCD-UHFFFAOYSA-N 311.297 1.677 10 10 DDCE COc1cccc(CNC(=O)c2ccncc2NC(C)=O)c1O 1630366242 MXXJUCNIPONTGJ-UHFFFAOYSA-N 315.329 1.684 10 10 DDCE O=C1NCCOc2ccc(C(=O)N3Cc4cccc(O)c4C3)cc21 1636230337 AABWERQDTXQPOR-UHFFFAOYSA-N 324.336 1.670 10 10 DDCE NS(=O)(=O)c1cccc(CNCc2cccc(F)c2O)c1 165019644 UAEMNLPGTNWUIU-UHFFFAOYSA-N 310.350 1.469 10 10 DDCE COC1(C(=O)O)CN(Cc2cc(Br)ccc2O)C1 1917711928 IOFNYDDFPBGYPX-UHFFFAOYSA-N 316.151 1.440 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1C[C@H]1N 1952194619 AMDNNWMTYONHRM-IJLUTSLNSA-N 308.378 1.881 10 10 DDCE C[C@H](c1cc(F)ccc1O)N1CC[C@H](CS(C)(=O)=O)C1 2143700103 JWIFKDXISCEAOA-MNOVXSKESA-N 301.383 1.959 10 10 DDCE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980376776 ITQJXVROEQUGMG-MNXVOIDGSA-N 324.421 1.898 10 10 DDCE Nc1ccc(NC(=O)CCCN2CC[C@@H](C3OCCO3)C2)cc1 2145849224 VFUQNRCSGMQOIQ-CYBMUJFWSA-N 319.405 1.682 10 10 DDCE CN(Cc1ccccc1O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 280800593 IJQDAIRYFGGYCV-ZFWWWQNUSA-N 322.405 1.804 10 10 DDCE COC1(CO)CN(c2ccc([C@@H](C)O)cc2Br)C1 2039556962 ZECCHWWCCKEBGB-SECBINFHSA-N 316.195 1.700 10 10 DDCE O=C(Nc1ccnc(Br)c1)c1cc(O)nc(O)c1 328067586 CZILWHLWAFDEGR-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc(CN)c(Cl)c1 696837104 PEICKBPWRVCISL-CHWSQXEVSA-N 318.826 1.047 10 10 DDCE CC(F)(F)[C@@H]1C[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2164452248 PPWDFPAXPJMNJX-CMPLNLGQSA-N 304.362 1.980 10 10 DDCE COC1CCC(N(C)C(=O)c2cnn3c(O)cc(C)nc23)CC1 2062527653 XGQJZNTVGSZOQN-UHFFFAOYSA-N 318.377 1.773 10 10 DDCE COc1ccc(O)c([C@@H](C)n2cc(C(=O)N(C)C)c(O)n2)c1 2070582581 ZWZXFEPYCDXSGX-SECBINFHSA-N 305.334 1.614 10 10 DDCE CO[C@H]1C[C@@H](O)CN(c2ccc(CN)c(Br)c2)C1 2046666222 YOXGMNMVTMGWNY-NEPJUHHUSA-N 315.211 1.494 10 10 DDCE N[C@@H]1CN(Cc2cc(Br)ccc2O)CC[C@@H]1CO 2058510017 PCDJLRCBMIZQLW-BXKDBHETSA-N 315.211 1.296 10 10 DDCE Nc1ccc(NC(=O)N=c2cnc(Br)c[nH]2)cc1 2071567803 BONVSSVFUWCWIN-UHFFFAOYSA-N 308.139 1.887 10 10 DDCE CN(C)c1ccc(CN=c2[nH]c(=N)[nH]cc2Br)cc1 2104184306 FCAOAKUOWUNOGY-UHFFFAOYSA-N 322.210 1.752 10 10 DDCE CCCN(c1ccc(CO)cc1F)[C@@H]1CCS(=O)(=O)C1 2201891290 GJGGGWQQWBGOHI-GFCCVEGCSA-N 301.383 1.722 10 10 DDCE CO[C@H]1[C@H](CO)N(c2ccc(CO)c(Cl)c2)C[C@H]1OC 2233349720 AOHMGESHNALHBK-MJBXVCDLSA-N 301.770 1.043 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@@H](F)[C@H]2CCOC2)cc1 2238295956 YXCFJBJGGRLEKS-WCQYABFASA-N 302.371 1.063 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H]2[C@@H](O)CO)c(Br)c1 2258345905 NCIYCWBEXCVWON-WQHBLYJGSA-N 315.211 1.401 10 10 DDCE NCc1ccc(N2CC3(CCC(=O)NC3)C2)cc1Br 2265517214 VWAXZOIBYKVEIS-UHFFFAOYSA-N 324.222 1.624 10 10 DDCE NC(=S)[C@H]1CC(F)(F)CN1C(=O)c1ccc(O)c(O)c1 2286064379 BTLNQKMPUVYOMJ-SSDOTTSWSA-N 302.302 1.234 10 10 DDCE C[C@H]1C[C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)CN1C1CC1 2307989956 OHNBIYUWPGJCRP-WCQYABFASA-N 302.374 1.852 10 10 DDCE CN(CC1(O)CCCC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 301863449 CWKALQBREXQKCZ-UHFFFAOYSA-N 321.333 1.667 10 10 DDCE CO[C@H]1C=C[C@@](CNCc2nnc(-c3ccccc3)o2)(OC)O1 39891572 RRYSQPQQDSEURR-GDBMZVCRSA-N 317.345 1.728 10 10 DDCE CO[C@@H](CCS(C)(=O)=O)CNCc1ccc(Cl)cc1O 2364094644 FOJOFZHIOGUYFW-LBPRGKRZSA-N 321.826 1.585 10 10 DDCE COc1cc(Cl)c(N2C[C@H](OC)C[C@@H]2CN)c(OC)c1 2368110888 NBSXIMDIUNBTKE-MWLCHTKSSA-N 300.786 1.910 10 10 DDCE COc1ccc2c(c1)CCCCN2C[C@@H](O)CN1CCOCC1 374295463 MPWYOZTUZSHRIL-INIZCTEOSA-N 320.433 1.531 10 10 DDCE COC(=O)C1(CN(C)Cc2ccc(N3CCOCC3)cc2)CC1 296507222 LVPGTSQHMMZVCK-UHFFFAOYSA-N 318.417 1.908 10 10 DDCE C[C@H](NC(N)=O)C(=O)Nc1c(-c2ccccn2)nc2ccccn12 820006141 KFOPDNHHVPOHRN-JTQLQIEISA-N 324.344 1.392 10 10 DDCE C[C@@H](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)c1ccccc1O 827957806 ZCOHXZIEDVQUGM-KEUJWLRJSA-N 317.341 1.290 10 10 DDCE COC(=O)CC1CC(NC(=O)NCc2ccc(OC)cc2O)C1 924931398 UZSHUXOUDFPBGB-UHFFFAOYSA-N 322.361 1.542 10 10 DDCE CCn1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 855227634 ZCQPRQPLSQQYPG-CYBMUJFWSA-N 314.389 1.920 10 10 DDCE 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COCCN(C(=O)Cc1ccc(O)c(O)c1)C1CCOCC1 1175414795 CVUYOOSEAVBLSN-UHFFFAOYSA-N 309.362 1.294 10 10 DDCE Cc1noc([C@H](NC(=O)Cc2ccc(O)c(O)c2)C(C)C)n1 1457414982 JGQPOVSSLFQLOZ-CQSZACIVSA-N 305.334 1.845 10 10 DDCE Cc1ccc(C(=O)N[C@H](c2nc(=O)o[nH]2)C(C)(C)C)c(O)c1O 1627298978 GCNCNNZFQSOFBE-LLVKDONJSA-N 321.333 1.600 10 10 DDCE CCCC(=O)N1CCCC[C@@H]1C(=O)NCc1cc(O)ccc1O 1558174163 GNXBCAHQCPZXPO-CQSZACIVSA-N 320.389 1.895 10 10 DDCE CC[C@H](NCC(C)(C)NS(C)(=O)=O)c1ccccc1O 109041286 OQFOKMHEKHBPHB-LBPRGKRZSA-N 300.424 1.761 10 10 DDCE CS(=O)(=O)c1cc(C(=O)NCc2c(O)cccc2O)co1 1558536464 YXOYKGRPNWCEHG-UHFFFAOYSA-N 311.315 1.024 10 10 DDCE C[C@H]1C[C@H](C)CN(C(=O)c2nnn(-c3ccc(N)cc3)n2)C1 1857879178 XIZIIASRXIFTIO-QWRGUYRKSA-N 300.366 1.363 10 10 DDCE C[C@@H](O)c1ccc(N(CCO)C2COC2)c(Br)c1 1915661307 HIDLOMYXCWRNRH-SECBINFHSA-N 316.195 1.700 10 10 DDCE NCc1ccc(N2C[C@H](O)[C@H](F)C2)c(F)c1Br 1944242247 NJCYVYMWQBYHII-APPZFPTMSA-N 307.138 1.566 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1CC(=O)N1 1951992313 GYDSSWYTEOYZQB-QWRGUYRKSA-N 322.361 1.422 10 10 DDCE COc1cc(Br)cc([C@@H]2NCC[C@@H]2C(=O)O)c1O 1952972579 PEQUOXSXMGGMCO-OIBJUYFYSA-N 316.151 1.899 10 10 DDCE Oc1cc(Br)ccc1CN[C@@H]1CO[C@@H]2COC[C@H]12 2040332516 BOTFXMNCOKXUFA-NQBHXWOUSA-N 314.179 1.658 10 10 DDCE Oc1c(Br)cccc1CN1CCO[C@H]2COC[C@H]21 2072494179 QUADIMXLPGXQEN-NEPJUHHUSA-N 314.179 1.754 10 10 DDCE C[C@]1(O)CN(c2ccc(CO)cc2Br)CC[C@@H]1O 2081770406 WVDNNSPNAFZZTL-STQMWFEESA-N 316.195 1.263 10 10 DDCE Oc1cccc(Br)c1CN[C@H]1CCn2ncnc2C1 2108928374 UNGFDHFQFLRHON-VIFPVBQESA-N 323.194 1.851 10 10 DDCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@@H]1CCSC1 2089897173 IANIFAYPNNJPIB-CMPLNLGQSA-N 300.449 1.830 10 10 DDCE Cc1nc(Sc2ncc(C(N)=O)s2)sc1CC(=O)O 2225539396 KDIAJJZAFXEGGW-UHFFFAOYSA-N 315.401 1.785 10 10 DDCE Cc1c(C=CC(=O)N(CCC(N)=O)c2ccccc2)cnn1C 2304163371 YWIKFSFNZZQIPJ-UHFFFAOYSA-N 312.373 1.650 10 10 DDCE CN1CCCc2cc(CN[C@]3(C)CCS(=O)(=O)C3)ccc21 50286549 BOWQUECQEFTNCJ-MRXNPFEDSA-N 308.447 1.736 10 10 DDCE O=C1O[C@H](c2ccccn2)[C@@H](C(=O)O)c2cc(O)c(O)cc21 33414030 OGVNZMWWBKCSIC-QWHCGFSZSA-N 301.254 1.573 10 10 DDCE Cc1ccc(C(=O)NCc2nnc(C3CCC3)n2C)c(O)c1O 129522279 IOBMFRCJQDNNKX-UHFFFAOYSA-N 316.361 1.732 10 10 DDCE CCOC(=O)CCS(=O)(=O)N(C)[C@H](C)c1ccccc1O 49064281 CJZXWUYPBFQPGI-LLVKDONJSA-N 315.391 1.668 10 10 DDCE C[C@@H]1SCCN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)[C@H]1C 132571387 QHAMWUUSVATPCP-NHCYSSNCSA-N 310.419 1.320 10 10 DDCE CCOc1ccc(O)c(CN(C)CCCN2CCN(C)CC2)c1 289414449 IFYHUYSWUXYQMS-UHFFFAOYSA-N 321.465 1.860 10 10 DDCE C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC(=O)N1C 282269280 CLAOKMMCFIMWPF-MRVPVSSYSA-N 313.741 1.616 10 10 DDCE C[C@H]1CC[C@H](C2OCCO2)N(CC(=O)c2ccc(O)c(O)c2)C1 2165133858 KEZMCXZUSVEVKI-WCQYABFASA-N 321.373 1.754 10 10 DDCE O=C(C1CC1)[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 811502176 MDKBENFJRLLLHD-HNNXBMFYSA-N 305.330 1.301 10 10 DDCE O=C1CC[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)CCN1 815835815 GLHJJEOHLHSVQI-CYBMUJFWSA-N 316.401 1.804 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CC[C@H]2COC[C@@H]2C1 827596520 YTEPEFNATNURSD-IRXDYDNUSA-N 302.418 1.992 10 10 DDCE Cn1nc2c(c1CNC(=O)c1c(F)ccc(O)c1O)CCCC2 832285039 SOTASGWZHWMNIW-UHFFFAOYSA-N 319.336 1.779 10 10 DDCE Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(O)c1O 832831284 HLXXSYFWXNHDES-UMNHJUIQSA-N 304.346 1.132 10 10 DDCE COc1cccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)n1 588405539 CDBTWDYTMQIVII-VURMDHGXSA-N 300.314 1.831 10 10 DDCE C[C@@H]1C[C@H](NC[C@@]2(CO)COCCN2C)c2c(O)ccc(F)c21 903280855 NZCSRVHEQKJEDW-BTJLNZGRSA-N 324.396 1.362 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1C[C@@H]2COC[C@@H]2O1 831261290 KQPBJMRBUIYUNQ-MHZIWIAHSA-N 305.330 1.031 10 10 DDCE Cc1cc(O)c(CNCCS(=O)(=O)N(C)C)c(Cl)c1 840946965 BMKDKYUHINCLNC-UHFFFAOYSA-N 306.815 1.335 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@@H]2CCCCN2C1=O 922815398 IVXZSJSGDQUFDH-GXFFZTMASA-N 321.352 1.484 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCC[C@@H]1CNC(=O)C1 926971203 YFUHIJIKPUXGJU-AWEZNQCLSA-N 318.421 1.420 10 10 DDCE C[C@@H]1CN(C)C[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 850406000 NRRVDVIOERQRRM-RDTXWAMCSA-N 303.450 1.687 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NOCC(C)(C)O)C2)cc1 854296054 AUCTXLIPNHTKFO-GFCCVEGCSA-N 323.393 1.276 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2)cc1 855229073 HKUCNSXYMSVMQK-PBHICJAKSA-N 319.449 1.976 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1nnn(C(C)(C)C)n1 854325018 VIKQLKPSANEGHX-UHFFFAOYSA-N 316.409 1.766 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3CCCN3)C2)cc1 852843715 FNCATCMMHSMKLY-ZIAGYGMSSA-N 303.406 1.532 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C[C@@H]1C[C@@H]2COC[C@@H]2O1 930128904 XNOMSYQQFVFHAS-IFIJOSMWSA-N 304.390 1.755 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H]2CCC[C@]2(CO)C1 863228224 FQGOCRKVSCZWTF-HMBFSZGFSA-N 303.358 1.732 10 10 DDCE CCn1c(O)nnc1C1CCN(C(=O)c2cc(O)cs2)CC1 764643399 WVGHPKASDFJQPY-UHFFFAOYSA-N 322.390 1.791 10 10 DDCE CCc1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)no1 775373916 DUYGSLBWIPGLNW-UHFFFAOYSA-N 316.361 1.603 10 10 DDCE Cn1cnc(/C=C/C(=O)N2CC(=O)Nc3cc(F)c(F)cc32)c1 1134041832 MNSMJTRANKFDBN-NSCUHMNNSA-N 318.283 1.697 10 10 DDCE Cc1cc(C(=O)NC[C@](C)(O)CO)c(C)n1-c1ccc(F)cc1 798264436 GEHZFCBGIXYLHQ-KRWDZBQOSA-N 320.364 1.706 10 10 DDCE CC[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCCO1 798417034 GWWWUQDKTPYUSP-SNVBAGLBSA-N 321.333 1.931 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc2oc(O)nc2n1 1303225945 UDVSGTBUOZVEBF-UHFFFAOYSA-N 301.258 1.270 10 10 DDCE CN1C(=O)CN[C@@H]1c1cc(Br)cc(Cl)c1O 390488786 PQWRJBVFAQPVGR-JTQLQIEISA-N 305.559 1.868 10 10 DDCE CC(CO)(CO)CNCc1c(O)cccc1Br 706858360 URHSSHHLHOHSSX-UHFFFAOYSA-N 304.184 1.235 10 10 DDCE O=C(NCc1nc(C(F)F)no1)NCc1c(O)cccc1F 1255621646 NYVGBDOTXCRCBL-UHFFFAOYSA-N 316.239 1.851 10 10 DDCE CCO[C@@H](C(=O)NCc1cccc(O)c1O)C1CCOCC1 1347542406 LWPPKNNUOAFEKV-OAHLLOKOSA-N 309.362 1.546 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1CCSC1 1261856713 NCEFGWZBSDZYNG-GFCCVEGCSA-N 322.430 1.610 10 10 DDCE COCC[C@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCOC1 1617971043 XNVRXOVYNKLFSZ-HNNXBMFYSA-N 320.349 1.774 10 10 DDCE CCOC(=O)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1628408257 CYUCIIZIEIHGNJ-UHFFFAOYSA-N 307.346 1.442 10 10 DDCE O=C(Cc1nc2ncccn2n1)NCc1cc(Cl)ccc1O 1632224043 TYDSJJJNBNRTDR-UHFFFAOYSA-N 317.736 1.342 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cccc(-n2cccn2)n1 1633595159 KNXGREUNGYVTRO-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE O=C(Cn1ccc(C(F)(F)F)n1)NCc1ccc(O)cc1O 1639441353 RGLXCMDECAEFCP-UHFFFAOYSA-N 315.251 1.630 10 10 DDCE NC(=O)[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 1645446067 HGFLFDSXIMKQPE-QMMMGPOBSA-N 306.343 1.402 10 10 DDCE O=C1OCC[C@@]12CCN(Cc1ccc(N3CCOCC3)cc1)C2 1660694863 UQAUPPXSNIIFHX-GOSISDBHSA-N 316.401 1.662 10 10 DDCE COc1ncc(/C=C\C(=O)NCc2cccc(O)c2O)cn1 1593739537 PIHZGFHELIGYGE-WAYWQWQTSA-N 301.302 1.226 10 10 DDCE C[C@H]1C[C@@H](CNCc2cc(F)ccc2O)CCS1(=O)=O 1966090943 PPQVDIRIUWZMKD-QWRGUYRKSA-N 301.383 1.834 10 10 DDCE O=C(O)/C=C/c1ccc(N2CCS(=O)(=O)CC2)c(Cl)c1 164352928 RFBTZILZUIJPNA-DUXPYHPUSA-N 315.778 1.673 10 10 DDCE O=C(N=c1cc(-c2nccs2)[nH][nH]1)c1cc(O)c(O)c(O)c1 1865876355 GJNMDBQYFBYGPM-UHFFFAOYSA-N 318.314 1.324 10 10 DDCE CNC(=O)[C@@H](C)N(C)c1ccc(CN)cc1Br 1916795317 OYIOUFQGAXRTCU-MRVPVSSYSA-N 300.200 1.479 10 10 DDCE Cc1ccc(O)c([C@H](C)N[C@H](C)CS(=O)(=O)N(C)C)c1 1967465113 JAOXFHRAWVUYSM-NEPJUHHUSA-N 300.424 1.631 10 10 DDCE O=S1(=O)C[C@@H]2CCN(c3c(F)cc(CO)cc3F)[C@H]2C1 2151271500 FVWMTNYNPPYKCC-CABZTGNLSA-N 303.330 1.080 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1CCOC[C@H]1CO 2017858078 QDTDHXPWHDKSMC-LDYMZIIASA-N 301.184 1.841 10 10 DDCE CCCS(=O)(=O)C[C@@H](C)NCCc1ccc(O)c(O)c1 2170507826 SZRAMECZORJULS-LLVKDONJSA-N 301.408 1.443 10 10 DDCE C[C@H](NCc1c(O)cccc1F)[C@@H]1CCCS(=O)(=O)C1 2160773037 VGJRLIAEFZHYIC-WDEREUQCSA-N 301.383 1.834 10 10 DDCE NC(=O)C1CN(c2ccc(CNC3CC3)cc2Br)C1 382063059 HAJYVQHNIGHPME-UHFFFAOYSA-N 324.222 1.623 10 10 DDCE O=S(=O)(C[C@H]1N[C@H]2CC[C@H]1C2)Nc1ccc(O)c(Cl)c1 2178691848 PLSDNAMLEDSVKI-HOTUBEGUSA-N 316.810 1.928 10 10 DDCE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccccc2O)COC1 1181516461 JGIOKOSVGFIULT-UHFFFAOYSA-N 322.361 1.302 10 10 DDCE C[C@H](O)[C@H]1CN(c2ccc(CO)cc2Br)CCO1 2053842574 IPPNEMZPELBVTG-TVQRCGJNSA-N 316.195 1.527 10 10 DDCE C[C@@]1(O)CCN(c2ccc(CO)c(Br)c2)C[C@@H]1O 2077306757 XWYVMFYQSYNSKE-QWHCGFSZSA-N 316.195 1.263 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3CCO[C@@]3(CO)C2)cc1Cl 2239919341 WNGJZTKAVREFPX-IINYFYTJSA-N 300.761 1.525 10 10 DDCE CSc1ncc(CN[C@@H]2CCS(=O)(=O)[C@H](C)C2)s1 2257105797 RMKQUZBRYCFDOM-RKDXNWHRSA-N 306.478 1.920 10 10 DDCE C[C@H]1CC[C@@H](S(C)(=O)=O)CN1Cc1c(O)cccc1F 2279350168 DNMVUUNTFZFFMH-WDEREUQCSA-N 301.383 1.929 10 10 DDCE CSc1ncc(CNC[C@@H]2CN[C@H]3CCOC[C@H]3C2)s1 2284721479 CCYGVAYZLKSEEP-WZRBSPASSA-N 313.492 1.969 10 10 DDCE CSc1ncc(CNC(=O)[C@]2(N)C[C@H]3OCCC[C@@H]32)s1 2288404688 RZVHSHXOGRHRDW-CWSCBRNRSA-N 313.448 1.378 10 10 DDCE COc1cccc(C=C2C(=O)NN(c3ccccc3)C2=O)c1O 2297320360 TXTLNLORYDHQSS-UHFFFAOYSA-N 310.309 1.862 10 10 DDCE Cc1ccc(CN[C@@H]2CCOC[C@H]2N)c(O)c1Br 2327798359 GMPOUJLTMGXLDY-GHMZBOCLSA-N 315.211 1.669 10 10 DDCE Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccccn3)C2=O)c1 101350072 WMWIPNIMGVSDAR-JLHYYAGUSA-N 322.324 1.969 10 10 DDCE CCC[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 301844441 SFRSHJWYVNESIO-JTQLQIEISA-N 321.333 1.931 10 10 DDCE CCn1cc(NS(=O)(=O)CCOc2ccc(N)cc2)cn1 70490624 GCXNHGAERAHXMM-UHFFFAOYSA-N 310.379 1.306 10 10 DDCE CN(NCc1cc(F)cc(F)c1O)S(=O)(=O)C1CCC1 2365272651 GCXZBUDOTCQFKZ-UHFFFAOYSA-N 306.334 1.489 10 10 DDCE CC(C)(C)OC(=O)NCCCNC(=O)COc1ccc(N)cc1 230012712 YQQYHAJDGSPSDY-UHFFFAOYSA-N 323.393 1.679 10 10 DDCE CNCc1ccc(N(C)CC(=O)N(C)C)cc1Br 234399523 YKSCVAJQEUDGKU-UHFFFAOYSA-N 314.227 1.693 10 10 DDCE COC(=O)[C@H](C1CC1)S(=O)(=O)Nc1ccc(O)cc1F 2167063593 KWDQDNXLBNVDFK-NSHDSACASA-N 303.311 1.225 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 808520655 WAFXSUPKIIBDGB-AWEZNQCLSA-N 321.348 1.739 10 10 DDCE CC[C@@H](O)CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 822785859 FYWZSSHAPMRCBW-CZUORRHYSA-N 306.406 1.861 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)COC2CCC(N)CC2)c1 828667778 UNZRKWMKZNNAFB-PNESKVBLSA-N 322.405 1.865 10 10 DDCE COCCN(CC(=O)N(C)C)Cc1c(O)cc(C)cc1Cl 840909925 BXTAHDRJMMWPCO-UHFFFAOYSA-N 314.813 1.891 10 10 DDCE COCCN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CCOC1 841959054 KANCIFLAGHSNCO-OAHLLOKOSA-N 307.394 1.258 10 10 DDCE COC[C@H](CCCN)NCc1ccc(N2CCC(O)CC2)cc1 854230085 GNIXCXFXYQIVMO-INIZCTEOSA-N 321.465 1.491 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H](N)C3CCC3)C2)cc1 852843845 IHRICUXAKAYHGM-XJKSGUPXSA-N 303.406 1.518 10 10 DDCE CCNC(=O)NC1(C(=O)NCc2c(O)cccc2F)CCCC1 928711178 GKAILBBNMFXJBU-UHFFFAOYSA-N 323.368 1.779 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@@H]1[C@H]2C[C@@H]3CO[C@H]1[C@H]3C2 923614922 IKAJOWWNDOSART-SSZYYHHOSA-N 306.337 1.754 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c[nH]c(C)cc1=O 935947739 DQLLBSLJJYCHPH-UHFFFAOYSA-N 307.346 1.805 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1OCCO[C@@H]1C 930905728 MTXFYQVCCPCOBK-CZUORRHYSA-N 306.406 1.905 10 10 DDCE CNCCOCCNC(=O)NCc1ccc(N2CC=CC2)cc1 861590417 QUPJONFYRDSZBK-UHFFFAOYSA-N 318.421 1.098 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H](C(F)F)CC1 870645353 HJAMNIXIRRYUIW-QDOCKXBDSA-N 313.300 1.994 10 10 DDCE CN(C)C(=O)/C=C\C(=O)NCc1c(O)ccc2c1CCCC2 1137443407 OFNLASQRXWQNDW-KTKRTIGZSA-N 302.374 1.532 10 10 DDCE COc1ccnc(CNC(=O)c2ccc(C)c(O)c2O)c1F 1300976251 JZGDNGZVLVSYPX-UHFFFAOYSA-N 306.293 1.879 10 10 DDCE COc1ccncc1CNC(=O)NCc1c(O)cccc1F 1228994241 LAXGDHWNHBLCAS-UHFFFAOYSA-N 305.309 1.934 10 10 DDCE Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1 1328334525 QVZQRHMFGWOMDC-GRYCIOLGSA-N 309.316 1.757 10 10 DDCE NC(=O)c1ccc2c(n1)N(C(=O)/C=C/c1cccnc1)CCC2 1278518721 NFRBGLRFNAGSDR-VMPITWQZSA-N 308.341 1.568 10 10 DDCE COC(=O)c1sccc1C(=O)NCc1ccc(O)cc1O 1299573996 MWRUWJLLDNIPDA-UHFFFAOYSA-N 307.327 1.876 10 10 DDCE CN(CCO)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1295088315 NJKBWWXOFCHQGA-UHFFFAOYSA-N 316.357 1.708 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H]3CN(C)C[C@H]32)c1 1521372704 JCYWBQUALDWYRQ-BPLDGKMQSA-N 303.406 1.840 10 10 DDCE Cc1ccc(C(=O)NCc2nc(C)c(C(N)=O)s2)c(O)c1O 1469504767 HHYLNLDJUISZMB-UHFFFAOYSA-N 321.358 1.200 10 10 DDCE Cc1[nH]nc(C(=O)NCc2cc(Cl)ccc2O)c1[N+](=O)[O-] 1632223994 SODIYCPGHJRXNU-UHFFFAOYSA-N 310.697 1.915 10 10 DDCE COc1ccc(O)c([C@@H](C)Nc2nccc(S(C)(=O)=O)n2)c1 1639440239 JZXKDQRCJWGCEW-SECBINFHSA-N 323.374 1.767 10 10 DDCE COc1ccc(CNCCN(C)C(=O)CCN(C)C)cc1C 1731949224 BHQMYPYBVLNRKF-UHFFFAOYSA-N 307.438 1.503 10 10 DDCE Cn1ncc(C(=O)NCc2c(O)cccc2O)c1C(F)(F)F 1645360518 AHJUVNBOSASUKZ-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE C[C@@H](c1nc(-c2nc[nH]n2)no1)N(C)Cc1ccccc1O 1653611827 NLTPSLXIYVXLHD-VIFPVBQESA-N 300.322 1.753 10 10 DDCE CC1(C)C[C@@H](S(=O)(=O)Nc2ccc(O)cc2Cl)CN1 2127975902 KNYQOYBMYROZCX-SECBINFHSA-N 304.799 1.928 10 10 DDCE CC(C)[C@@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@H]1C(=O)O 250690506 JYOORQJHGYUFFV-KBPBESRZSA-N 305.378 1.781 10 10 DDCE Cc1ccc(O)c(CNCCC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1857864297 HSZAPAXVFLUVAN-KBPBESRZSA-N 306.406 1.816 10 10 DDCE C[C@H](CNCc1ccc(O)c(O)c1O)NC(=O)OC(C)(C)C 235447996 UWVVXKPARDOSLN-SECBINFHSA-N 312.366 1.806 10 10 DDCE CO[C@H]1COC[C@@H]1CNCc1ccc(Br)cc1O 2036616143 ZDSZNRMQIZMKFH-GWCFXTLKSA-N 316.195 1.906 10 10 DDCE CN(C)C[C@H](CO)NCc1ccc(Br)cc1O 716702723 AJACWXWEZWGXFZ-LLVKDONJSA-N 303.200 1.167 10 10 DDCE CN1C(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])C(=O)N(C)C1=O 2294523197 IBZSCGSEKDNTPR-UHFFFAOYSA-N 315.285 1.585 10 10 DDCE CCN1CCN(CCCCC(=O)c2ccc(O)c(O)c2O)CC1 2295063917 ZPXPVTJCNCYLTJ-UHFFFAOYSA-N 322.405 1.794 10 10 DDCE CO[C@H]1COC[C@H]1NCc1ccc(C)c(Br)c1O 2327798590 JPRIOWDAOFIZRV-MNOVXSKESA-N 316.195 1.967 10 10 DDCE Nc1ccc(O)c(CN2CC(n3cc(Br)cn3)C2)c1 2336404354 FUSHDKFFVUFBEQ-UHFFFAOYSA-N 323.194 1.990 10 10 DDCE Cc1ncsc1CN(C)C[C@H](O)COc1ccc(N)cc1 111665606 FPVOSKCQKFPTOC-ZDUSSCGKSA-N 307.419 1.905 10 10 DDCE Nc1ccc(NC(=O)CS(=O)(=O)c2ccc(F)cc2)cc1 35309474 FZDAWTPCZSXFBL-UHFFFAOYSA-N 308.334 1.820 10 10 DDCE COc1cc(O)c(CN2CCN(C[C@H](C)O)[C@H](C)C2)cc1OC 252734011 XUTMXPJKWTUYDY-OLZOCXBDSA-N 324.421 1.296 10 10 DDCE O=C(NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1cccc(O)c1O 283611089 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C[C@H](N)c1ccc(N2C[C@H](O)C[C@H]2CO)c(Br)c1 698117145 UGJDGSIHRTWUKW-INTQDDNPSA-N 315.211 1.401 10 10 DDCE CCOCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851921768 AJVQANHTZNWRNB-CQSZACIVSA-N 321.421 2.000 10 10 DDCE Cc1nnc(COCC(=O)NCc2c(O)cccc2F)s1 928708554 OVFHKDRPEYFAGL-UHFFFAOYSA-N 311.338 1.524 10 10 DDCE COc1ccc(N2CCN(C(=O)CC3(C)COC3)CC2)cc1 929249852 JIPTZOYJGARHEN-UHFFFAOYSA-N 304.390 1.770 10 10 DDCE CO[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCOC1 852439449 FSCKEFUOYVUKEL-HOCLYGCPSA-N 321.421 1.603 10 10 DDCE CNc1cnc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cn1 860693465 CKDNJNYQVKEDKI-SECBINFHSA-N 302.334 1.291 10 10 DDCE Cc1ccc(O)c(CNC(=O)CS(=O)(=O)NC(C)(C)C)c1 862759062 UFOYEFJIWVDDDV-UHFFFAOYSA-N 314.407 1.035 10 10 DDCE COC(=O)[C@@]1(OC)CCN(Cc2ccc(N(C)C)cc2C)C1 862475367 IHLVWEUMTLYTNU-QGZVFWFLSA-N 306.406 1.825 10 10 DDCE COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)c1cc(O)cs1 862993244 ABAQMZAVCHJEMN-GXSJLCMTSA-N 313.375 1.542 10 10 DDCE CCOCCOCC(=O)NCc1ccc2cccnc2c1O 862027933 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DDCE C=C1c2ccccc2C(=O)N1CC(=O)NCc1cc(O)ccc1O 1643879641 YLLUHNMRHUYVCP-UHFFFAOYSA-N 324.336 1.841 10 10 DDCE O=C(CCn1cc([N+](=O)[O-])cn1)N1Cc2cccc(O)c2C1 1644088046 COKQRUMWGHRRQF-UHFFFAOYSA-N 302.290 1.429 10 10 DDCE O=C(C[C@@H]1NC(=O)c2ccccc21)NCc1ccc(O)cc1O 1570463024 DYTRGHBOTWGZSA-AWEZNQCLSA-N 312.325 1.589 10 10 DDCE Oc1cc(Br)ccc1CN1C[C@@H]2OCCO[C@@H]2C1 1964603250 YCNCULPIWVZJIS-BETUJISGSA-N 314.179 1.754 10 10 DDCE Cc1ccc(O)c(CNCC(=O)N2CCC(C(=O)O)CC2)c1 1857867970 LFLOZOQQSCUTCO-UHFFFAOYSA-N 306.362 1.113 10 10 DDCE CN1CCN(c2ccc(N)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 1977932699 CCLXJRXRCSHQTA-OAHLLOKOSA-N 320.437 1.914 10 10 DDCE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980376605 HOAKOZTYOVJIMQ-LPWJVIDDSA-N 324.421 1.755 10 10 DDCE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980376606 HOAKOZTYOVJIMQ-ZDEQEGDKSA-N 324.421 1.755 10 10 DDCE O=S1(=O)CCC[C@H]2CN(c3ccc(CO)cc3Cl)C[C@H]21 2145044907 DHOMPRNHTAIFRY-SMDDNHRTSA-N 315.822 1.846 10 10 DDCE 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PXMFTNXHZDTUHL-NXEZZACHSA-N 315.167 1.625 10 10 DDCE CCOC(=O)CCCS(=O)(=O)Nc1ccc(O)c(F)c1 2178767221 HCVWKZCYMFQBQP-UHFFFAOYSA-N 305.327 1.616 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@@H](O)CC(F)(F)F)cc1 2175691143 WRGXDEFXVOGRFR-JTQLQIEISA-N 312.313 1.002 10 10 DDCE O=C1Nc2cc(N3CC(SC(F)F)C3)c(F)cc2[C@@H]1O 2196692131 IDCDSQBUFBDEHO-JTQLQIEISA-N 304.293 1.956 10 10 DDCE O=C1Nc2cc(N3C[C@@H](F)C[C@@H](O)C3)c(Cl)cc2[C@H]1O 2234665280 MANZXRBXRGJNBJ-QRPMWFLTSA-N 300.717 1.235 10 10 DDCE Cc1c(/C=C\C(=O)N2CCCc3c(C(N)=O)cccc32)cnn1C 299667509 WQZAEUJYAQCGMJ-HJWRWDBZSA-N 324.384 1.820 10 10 DDCE C[C@H](N)c1ccc(N2CC(O)(CCO)C2)c(Br)c1 2258285062 CBVAZZLIABPDQV-VIFPVBQESA-N 315.211 1.402 10 10 DDCE CN(C)S(=O)(=O)[C@H]1CCN(c2ccc(CN)c(Cl)c2)C1 2279308268 XVWCMIMTKBLXSP-LBPRGKRZSA-N 317.842 1.269 10 10 DDCE CN(C)S(=O)(=O)[C@@H]1CCN(Cc2cccc(Cl)c2O)C1 2279311265 QUYACWPGWILZIG-LLVKDONJSA-N 318.826 1.511 10 10 DDCE COC(=O)[C@@H]1CN(C(=O)/C=C\c2cnccn2)c2ccccc21 492034329 RNKZTSXIWZGJLZ-LMVHVUTASA-N 309.325 1.793 10 10 DDCE COCCOc1cccc(NC=C2C(=O)OC(C)(C)OC2=O)c1 10010983 OEKZJLHPOMHEHI-UHFFFAOYSA-N 321.329 1.844 10 10 DDCE CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)CCN1CCOC 106113938 YKLCNEOZJPZOSE-CQSZACIVSA-N 323.393 1.843 10 10 DDCE N=C1/C(=C\c2ccco2)C(=O)N=C2SC(N3CCCC3)=NN12 20356262 WPXJRCWWHBLETK-BTIHMXIBSA-N 315.358 1.952 10 10 DDCE CN1CCCC[C@@H]1CN1CCN(Cc2ccccc2O)CC1 179571085 AXRMZGXSRMYSSC-QGZVFWFLSA-N 303.450 1.994 10 10 DDCE CCOc1ccc(O)c(CN2CCN(C[C@@H](O)CC)CC2)c1 123594714 RKYTVEGZWNHKMZ-HNNXBMFYSA-N 308.422 1.679 10 10 DDCE COc1cccc(CNS(=O)(=O)N2CCC[C@@H]2C)c1O 185013098 OVDACHBGHQACMT-JTQLQIEISA-N 300.380 1.220 10 10 DDCE COCCN(Cc1cc(Cl)cc(C)c1O)[C@H](C)C(N)=O 180072940 CQLOBXMKUKWWAX-SNVBAGLBSA-N 300.786 1.676 10 10 DDCE COc1ccc(O)c(CN2CCCN(c3cccnn3)CC2)c1 180077910 ZOALQZHKVNJDFQ-UHFFFAOYSA-N 314.389 1.903 10 10 DDCE Cc1nc(S(=O)(=O)NCC2(CN=[N+]=[N-])CC2)c(Cl)n1C 2364141846 QGNSYSPXQKXSIQ-UHFFFAOYSA-N 318.790 1.751 10 10 DDCE O=C(O)CN(CC(=O)O)Cc1cc(Cl)cc(Cl)c1O 86774198 ZZDLKPYGFXNNAG-UHFFFAOYSA-N 308.117 1.670 10 10 DDCE COc1cccc(CNC(=O)C[C@H](C)N2CCCCC2=O)c1O 193595769 PIVAUZZOUAHKFA-LBPRGKRZSA-N 320.389 1.808 10 10 DDCE CC[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@]2(CCOC2)O1 366521154 QNEGWPYKNCORIT-BDJLRTHQSA-N 307.346 1.508 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](NC(=O)c1cccs1)C(C)C 808498483 TWASAUUIZPWKDL-GFCCVEGCSA-N 311.359 1.204 10 10 DDCE COc1ccc2nc(C)c(C(=O)OCC(=O)C(C)=O)cc2c1 808492752 DFELBUZOFGHKCE-UHFFFAOYSA-N 301.298 1.867 10 10 DDCE CN(C)C(=O)C1(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 806684976 MUMJFMAMIQHWRT-UHFFFAOYSA-N 307.369 1.376 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CNCCC2(F)F)c1 817980304 KSKFJDAYPDPUFT-RNCFNFMXSA-N 314.332 1.827 10 10 DDCE O=C(NCCCSc1nccs1)c1cnc2n1CCOC2 827475290 WEMZPMZYOHUQEK-UHFFFAOYSA-N 324.431 1.782 10 10 DDCE COCCCN(C)CCNC(=O)/C=C\c1ccc(O)c(O)c1 588407000 HSVTYVPOVFSTQB-ALCCZGGFSA-N 308.378 1.196 10 10 DDCE CC[C@@H](CO)N(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 828371417 CJKSOTICJRRJMO-VFFGBVLKSA-N 308.334 1.988 10 10 DDCE Cc1cc(CC(=O)NCc2nn[nH]n2)c(C)n1-c1ccccc1 832221854 DXVYVWZLJDZBHO-UHFFFAOYSA-N 310.361 1.466 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@H](C)N(CCO)C[C@H]2C)c1O 842163781 SJYYQMFPBQMNDZ-NWDGAFQWSA-N 324.396 1.621 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC2CC1(c1ncc[nH]1)C2 912959099 XXIQWOMQDUWZAT-RQOWECAXSA-N 311.341 1.982 10 10 DDCE COc1cc(OC)nc(C(=O)N2Cc3cccc(O)c3C2)n1 913726183 JRCDHQGBAOMAEP-UHFFFAOYSA-N 301.302 1.355 10 10 DDCE C[C@H](NC(=O)NCC[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1 845123290 APRIQQOCFOQMGE-SUMWQHHRSA-N 321.421 1.654 10 10 DDCE NCC1(CCNCc2ccc(N3CCOCC3)c(F)c2)CC1 844901202 FXIPZIFZVLDCQG-UHFFFAOYSA-N 307.413 1.881 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CCN(C)CC3)C2)cc1 854302101 IAYNQSHOXDWNMI-CQSZACIVSA-N 318.421 1.231 10 10 DDCE COCCOCCS(=O)(=O)N[C@@H](C)c1ccccc1O 867833926 HVRRXTKUFVNQDV-NSHDSACASA-N 303.380 1.036 10 10 DDCE COc1ccc(CNC(=O)c2nc([C@@H]3C[C@H]3C)no2)c(O)c1 865988065 MJKLLSDXVKMRJQ-LDYMZIIASA-N 303.318 1.837 10 10 DDCE C[C@H](NC(=O)N[C@H](C)[C@H](C)N1CCOCC1)c1ccccc1O 868284763 BQTFELFKGZQCQP-RDBSUJKOSA-N 321.421 1.862 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCc1cc(O)ccc1O 1303225168 AGVDCNRHZRYCJY-NWDGAFQWSA-N 322.361 1.627 10 10 DDCE CN1CCN(c2ccc(CN3C[C@H]4CNC[C@@H]4C3)cc2F)CC1 1319972376 HABZGBLSOGJWIZ-HZPDHXFCSA-N 318.440 1.229 10 10 DDCE OC[C@@H](O)CCNCc1cc(Cl)cc(Br)c1O 1963626496 UDGSJTHWBDRHER-VIFPVBQESA-N 324.602 1.641 10 10 DDCE CC(C)(C)OC(=O)NCC1CN(C(=O)c2cccc(O)c2O)C1 1963725875 FBWGXGNHTARXHC-UHFFFAOYSA-N 322.361 1.695 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2ccc3nc(CO)[nH]c3c2)c1 1167293669 NJXIHLHKJJWKMX-UHFFFAOYSA-N 311.341 1.999 10 10 DDCE CO[C@@]1(CNCc2ccc(Cl)cc2O)CCS(=O)(=O)C1 1474715183 WLSOBOZJMVVMHV-CYBMUJFWSA-N 319.810 1.339 10 10 DDCE C[C@H](NC(=O)c1cccs1)C(=O)NCc1cc(O)ccc1O 1176748220 MSJSNCJWWDKUPU-VIFPVBQESA-N 320.370 1.594 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1C[C@H]1C1CC1 1324390780 VYKNTQAOPPFSFR-JKSUJKDBSA-N 315.417 1.626 10 10 DDCE COCCn1ncc(C(=O)NCc2cccc(O)c2O)c1C 1352672475 WBJQLXSRWKSOEH-UHFFFAOYSA-N 305.334 1.179 10 10 DDCE COCC[C@H](Cc1ccco1)NC(=O)Cc1ccc(O)c(O)c1 1466805610 OWCQROOIJTWWRC-CYBMUJFWSA-N 319.357 1.997 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@@H]1CNC(=O)c2ccccc21 1622317325 GZASGUDVIYEKIV-OAHLLOKOSA-N 310.353 1.878 10 10 DDCE CN1Cc2ccccc2[C@H]1CNC(=O)Cc1ccc(O)c(O)c1 1635901022 GXDWWQGPANDFIJ-OAHLLOKOSA-N 312.369 1.943 10 10 DDCE CCOC(=O)C12CC(CN1C(=O)Cc1ccc(O)c(O)c1)C2 1645834897 KCFFIETYBBENMF-UHFFFAOYSA-N 305.330 1.194 10 10 DDCE CC(=O)NC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1578108667 DTXUDZNPRQSZBB-CYBMUJFWSA-N 317.349 1.494 10 10 DDCE C[C@](O)(CCO)CNCc1ccc(Br)cc1O 1966083252 BLXZUHXGSSUSSI-LBPRGKRZSA-N 304.184 1.378 10 10 DDCE O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1CCO 16904901 XYLDZWUGKZCNHP-YFHOEESVSA-N 310.356 1.788 10 10 DDCE O=S1(=O)CC2(CC(NCc3cc(Cl)ccc3O)C2)C1 1967802497 NHWKBCMPOMYDTQ-UHFFFAOYSA-N 301.795 1.712 10 10 DDCE CNCc1ccc(N2C[C@H](F)[C@H](O)C2)c(Br)c1 1944300454 BUZNCFKFTLWZJV-CMPLNLGQSA-N 303.175 1.688 10 10 DDCE CS(=O)(=O)[C@@H]1CSCCN1CCCc1ccc(N)cc1 158230329 VVHVWKGERSNGIA-CQSZACIVSA-N 314.476 1.621 10 10 DDCE COC(=O)c1ncsc1S(=O)(=O)Nc1ccc(N)cc1 2162468782 MTAWGYWRQZJVJO-UHFFFAOYSA-N 313.360 1.313 10 10 DDCE C[C@@H]1CN(c2cc(Cl)c(CN)cc2F)C[C@@H](CCO)O1 2179384916 YZHVFUJRVLVJLD-MWLCHTKSSA-N 302.777 1.914 10 10 DDCE COc1cccc(Cn2ncc(C(=O)NC3CC3)c2O)c1O 2070497784 ALOVGKXNYQHLFD-UHFFFAOYSA-N 303.318 1.243 10 10 DDCE C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1cc(Cl)c(CN)cc1F 2177381882 SEAGLZBGHUBIII-DTWKUNHWSA-N 320.817 1.950 10 10 DDCE C[C@H](O)c1cc(F)c(N(C)[C@H](C)CS(C)(=O)=O)c(F)c1 2194505481 JHSTWBXJVHWOSU-BDAKNGLRSA-N 307.362 1.887 10 10 DDCE Cc1nc(Cl)cc(NS(=O)(=O)Cc2ccc(N)cc2)n1 2203514096 SAWDYJZOIVKPKW-UHFFFAOYSA-N 312.782 1.963 10 10 DDCE COc1ccc(Br)c(CN[C@@H]2[C@H]3COC[C@H]32)c1O 2220463073 VZBQURUMXCXGOW-GDGBQDQQSA-N 314.179 1.898 10 10 DDCE CS(=O)(=O)[C@H](CNCc1ccc(Cl)cc1O)C1CC1 2224598865 BONFOZCDAKSVQF-CYBMUJFWSA-N 303.811 1.958 10 10 DDCE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNC(=N)N[N+](=O)[O-] 2297511447 LSEOLARUTYKQNX-UHFFFAOYSA-N 316.321 1.216 10 10 DDCE CNCc1cnc(S[C@@H]2CC[C@@H](S(C)(=O)=O)C2)s1 2319435654 OIKGOABSRPYUHS-PSASIEDQSA-N 306.478 1.920 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2CC=CCC2)cc1 70490814 VGMCLXKHOUEETN-ZDUSSCGKSA-N 310.419 1.923 10 10 DDCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1sccc1Br 130612300 YMNNQSAYJBRMST-ZCFIWIBFSA-N 304.173 1.937 10 10 DDCE O=C(Nc1ccc(N2CCNC2=O)cc1)c1cccc(O)c1O 323013364 XJCOHYNDXMOIRQ-UHFFFAOYSA-N 313.313 1.880 10 10 DDCE COc1ccc(N2CCN(C(=O)C[C@H]3CCNC3)CC2)cc1F 130934358 FTHQBOPPGSITRA-CYBMUJFWSA-N 321.396 1.483 10 10 DDCE O=C(O)[C@H]1CS[C@H](c2cc(Cl)c([N+](=O)[O-])cc2O)N1 83236627 OQOZHQIOCLMMKU-HZGVNTEJSA-N 304.711 1.742 10 10 DDCE CN[C@@H](C)c1ccc(N2CC(=O)NC(=O)C2(C)C)cc1Cl 97301210 CLKJBLIRZNOLPY-VIFPVBQESA-N 309.797 1.862 10 10 DDCE C[C@@H]1CNCCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1 254929906 VSXJAAYVMKFBTR-IJVDHGTGSA-N 315.417 1.357 10 10 DDCE CCN(CCCO)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 266211996 NMIJCQLKQCMOGM-SOFGYWHQSA-N 308.334 1.990 10 10 DDCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC(=O)N1C 800537883 HNTOBPBMPYLKGF-CQSZACIVSA-N 303.406 1.186 10 10 DDCE COc1cncc(NCc2ccc(N3CCOCC3)cc2)n1 735916996 AGZADPFLYCFXOY-UHFFFAOYSA-N 300.362 1.934 10 10 DDCE Cc1cc(N(C)C)ccc1CN(C)C[C@@H]1CCS(=O)(=O)C1 840916720 DNNKWMFVUPTDDP-AWEZNQCLSA-N 310.463 1.928 10 10 DDCE CN(C)c1ccc(CNC(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)cc1 913926367 AOZQKSCODDDTED-BMFZPTHFSA-N 319.405 1.356 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1COC(=O)N1 840557209 ZLCHRMZJBBIJLP-SMDDNHRTSA-N 305.378 1.217 10 10 DDCE COC(=O)C[C@H](CNC(=O)c1ccc(C)c(O)c1O)C1CC1 855911494 YLBJOSJHXLXUNY-LLVKDONJSA-N 307.346 1.725 10 10 DDCE COc1ccc(N2CC[C@@H](Nc3cc(=O)n(C)cn3)C2)cc1 853760086 HWUISYCCIBETSE-GFCCVEGCSA-N 300.362 1.480 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@]3(C)CCCNC3)C2)cc1 852900720 QFRBPPUCTAGPLX-KBXCAEBGSA-N 317.433 1.780 10 10 DDCE COC[C@@H](NC(=O)N(C)Cc1ccccc1O)C1CCOCC1 854321917 XTOFVRXFZJIHFA-OAHLLOKOSA-N 322.405 1.975 10 10 DDCE CC[C@H](NC[C@@]12COCCN1C(=O)OC2)c1ccc(C)cc1O 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C[C@@H](N[C@@H]1CNOC1)c1ccc(N2CCOCC2)cc1Cl 925863907 ODOCXUJAMUWAIW-VXGBXAGGSA-N 311.813 1.731 10 10 DDCE CN1C[C@@H]2CC[C@H](C1)N2CC(=O)NCc1ccc(N(C)C)cc1 931393507 IUCYDBAUVYCNIH-CALCHBBNSA-N 316.449 1.147 10 10 DDCE CC[C@H](NC[C@]12COCCN1C(=O)OC2)c1ccccc1O 866521585 NRVWQTOXGFNVBO-XJKSGUPXSA-N 306.362 1.654 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@@H](c2nn[nH]n2)C1 779533226 COZNKGCNUYWSDX-DUMNWFOQSA-N 315.333 1.030 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1cnc2n1CCC2 772712635 HKVKOKSYWGBZJB-UHFFFAOYSA-N 307.375 1.356 10 10 DDCE COc1ccc(N2CCN(C(=O)CCCCC(N)=O)CC2)cc1 779724196 HGSGFTQBEODDPP-UHFFFAOYSA-N 319.405 1.390 10 10 DDCE C[C@H](NC(=O)[C@H]1C[C@@H]2CC[C@H](C1)S2(=O)=O)c1ccccc1O 881440957 RTCVTQDBFVEMNO-ZDEQEGDKSA-N 323.414 1.925 10 10 DDCE Cc1cc(O)c(CN2CCn3nnc(CO)c3C2)cc1Cl 894809349 KCOWZSGBWIWGKF-UHFFFAOYSA-N 308.769 1.454 10 10 DDCE CCOc1ccc(CN[C@H]2C(=O)NCC23CCOCC3)c(O)c1 895773777 SQWFVBDTVBQWFZ-HNNXBMFYSA-N 320.389 1.176 10 10 DDCE CN1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1=O 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1.878 10 10 DDCE COc1ccc(CNC(=O)c2cnn3cc(C)cnc23)c(O)c1 1467471357 XUVWTLHUVOIHPG-UHFFFAOYSA-N 312.329 1.682 10 10 DDCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)c1nc[nH]n1 1716246338 RCKFTDKZQBHTGA-UHFFFAOYSA-N 317.393 1.374 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2ncccn2)cc1C 1569086327 MLLMYIDBYLSXAL-ZDUSSCGKSA-N 314.389 1.702 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCC2(C1)OCCO2 1566944339 DHZAAXKITBOFFV-KMOQFTEPSA-N 305.330 1.523 10 10 DDCE COC(=O)c1nc(C(=O)NCc2c(O)cccc2O)cs1 1635850458 NBPIFCSUEUBKIT-UHFFFAOYSA-N 308.315 1.271 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2cocn2)cc1C 1567474137 DPKORVBMYKIXPN-UHFFFAOYSA-N 303.362 1.853 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 1641733270 OXCGYYKFSNPRPS-HNNXBMFYSA-N 316.313 1.959 10 10 DDCE CNCc1ccc(N(C)C[C@@H](O)COC)c(C(F)(F)F)c1 163699705 FIWNOVHZATYQLQ-LLVKDONJSA-N 306.328 1.868 10 10 DDCE CC(=O)C(=O)[C@]1(O)[C@H]2C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]1[C@H]3C2 1919161065 WYCIJESHVGVNNO-WZIZPHDVSA-N 309.362 1.151 10 10 DDCE COc1nscc1CNS(=O)(=O)Cc1ccc(N)cc1 2148801148 BXPUQBDNCYVNMQ-UHFFFAOYSA-N 313.404 1.354 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](NCc2ccccc2O)[C@H](O)C1 307857978 GKGRUBVUWNJITN-GXTWGEPZSA-N 308.378 1.462 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@H](C)CO 2157788901 SQGPODKSWNKRRD-GFCCVEGCSA-N 300.424 1.285 10 10 DDCE COC(=O)[C@@](C)(CS(=O)(=O)C(C)C)NCCCN=[N+]=[N-] 2170546660 NMFMTRAQYMXVBA-LLVKDONJSA-N 306.388 1.031 10 10 DDCE Cc1cc(O)n2ncc(C(=O)Nc3c4c(nn3C)CCC4)c2n1 2063143031 RQBKONNUKZOVIA-UHFFFAOYSA-N 312.333 1.218 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)c2n1 2064081781 PXVPIEPPFOVDFT-CHWSQXEVSA-N 316.361 1.527 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCC2(F)CCC2)cc1 2177815887 OWZYRMPLDYVNLE-UHFFFAOYSA-N 302.371 1.459 10 10 DDCE CC(C)OCC[S@](=O)C[C@@H](O)COc1ccc(N)cc1 2184700718 NSRBNOSMYKTBLV-RBZFPXEDSA-N 301.408 1.182 10 10 DDCE Oc1cccc(Br)c1CNCC[C@H]1COC[C@H]1O 2048710730 NRBPTHNFYLPWNU-TVQRCGJNSA-N 316.195 1.642 10 10 DDCE NCc1ccc(N2CCO[C@@H]3COC[C@@H]32)c(Br)c1 2072515509 XRQVPLRIFSQSEV-QWHCGFSZSA-N 313.195 1.512 10 10 DDCE Oc1c(F)cccc1CNCCn1cc(Br)nn1 2072770832 RQNMADGTELRXNX-UHFFFAOYSA-N 315.146 1.675 10 10 DDCE Nc1ccc(CCC(=O)N2CCCC[C@H]2C2OCCO2)cc1 2089560507 DAZSAQDTBZFOFW-HNNXBMFYSA-N 304.390 1.955 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNc1ccc(N)cc1 2210495463 NITSPPMZEPVKED-MELADBBJSA-N 323.393 1.022 10 10 DDCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)c(Cl)c1 2205606950 DNNPCBYJSNZFMW-RDBSUJKOSA-N 302.777 1.329 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@@H](C(=O)O)C2CC2)s1 2269125653 VBRIALRMIAZXDY-MRVPVSSYSA-N 322.433 1.148 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@]12C[C@H]2C(=O)C(=O)C[C@H]1C[C@H](N)C1 2243547247 NORVBSHNTWIKDW-XGIBBISHSA-N 322.405 1.555 10 10 DDCE CO[C@H]1[C@@H](NCc2ccc(Br)cc2O)C[C@H]1O 2249792828 DIHSLTGPXOCJPC-WCQGTBRESA-N 302.168 1.393 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)N2C)s1 2284493816 FYIWDDTYNNFRGQ-BDAKNGLRSA-N 315.420 1.029 10 10 DDCE COCCNCc1cnc(SC[C@@]2(OC)CCOC2)s1 2285439140 JKUAGMNVSIAPET-CYBMUJFWSA-N 318.464 1.777 10 10 DDCE CCN1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)NC1=S 2296931316 DWXXDNVPBWCBRD-UHFFFAOYSA-N 313.382 1.825 10 10 DDCE COC(NC=C1C(=O)N(c2ccccc2)N=C1C)(OC)OC 2297736734 SHCDBMWJLZGCPC-UHFFFAOYSA-N 305.334 1.433 10 10 DDCE CC(C)[C@H]1CN(C)CCN1C(=O)C=Cc1ccc(O)c(O)c1 2307987805 MJSSPTKAGWLEEA-CQSZACIVSA-N 304.390 1.910 10 10 DDCE Cc1ccc(C=C2SC(=S)N([C@@H](CO)C(=O)O)C2=O)cc1 2323831410 HIHFQPQBJTYLTP-JTQLQIEISA-N 323.395 1.642 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCN(C)[C@@H]2C)s1 2350654713 FTVFPUZBGHWELU-PRHODGIISA-N 301.437 1.502 10 10 DDCE CCCCN1C(=O)N=C(O)/C(=C\c2cnc(N(C)C)nc2)C1=O 2816914 WDSAAEGZIGMXKU-YRNVUSSQSA-N 317.349 1.645 10 10 DDCE C[C@H](O)CNC(=O)C(=O)N(c1ccccc1)c1ccc(N)cc1 170377236 CGHWZHKKAQMYGN-LBPRGKRZSA-N 313.357 1.431 10 10 DDCE Nc1ccc(OC[C@@H](O)Cn2cc(C(F)(F)F)cn2)cc1 70465996 AUDUDRDMKSRVAK-NSHDSACASA-N 301.268 1.924 10 10 DDCE C[C@@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 189994365 DMEFGQHRFBIYLF-BBRMVZONSA-N 324.446 1.884 10 10 DDCE COc1cc(Cl)c(N2C[C@H](C)O[C@H](CO)C2)c(OC)c1 2368302736 OOZWVIURUFEQLJ-ONGXEEELSA-N 301.770 1.943 10 10 DDCE C[C@@H](NC[C@@]1(CO)COCC2(CCC2)N1C)c1ccccc1O 527944664 AXWDFBRPQMGBBT-RDTXWAMCSA-N 320.433 1.659 10 10 DDCE C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)CC1(C)OCCO1 1147842932 FHLUCKNTZYKNKM-NSHDSACASA-N 309.362 1.546 10 10 DDCE COC(=O)C[C@@H]1COCCN1Cc1cc2c(cc1O)CCC2 808212727 VJXDWRAKNQCDRO-OAHLLOKOSA-N 305.374 1.645 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2C[C@H](C)n3ncnc32)c1O 819995535 DWOULVQZIIQDBK-GXSJLCMTSA-N 317.349 1.498 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1OC 823270526 GHQFWWKHJUPYTI-TZMCWYRMSA-N 307.346 1.319 10 10 DDCE COC[C@](C)(O)CCNCc1cc(Cl)cc([N+](=O)[O-])c1O 824559331 PLXGYIQEZMQHBE-CYBMUJFWSA-N 318.757 1.831 10 10 DDCE Oc1cc(Br)ccc1CN1C[C@@H](O)C[C@@H](O)C1 824913816 ZATPBTDAFMITFZ-PHIMTYICSA-N 302.168 1.082 10 10 DDCE O=C(O)c1cnn2c(O)cc(CN3CCC[C@@H](CCF)C3)nc12 849345993 NXQXJZHPGZKGGI-JTQLQIEISA-N 322.340 1.705 10 10 DDCE COc1ccc(COCC(=O)NCc2c(O)cccc2F)cn1 928707856 DDUVLWZNTFFXKP-UHFFFAOYSA-N 320.320 1.768 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 854947594 BGXHQQBMPFGZFE-SWLSCSKDSA-N 318.421 1.132 10 10 DDCE C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1[C@H]2CN[C@H]1C2 925481613 RBLUUDQNUYOGFY-QUCGAITQSA-N 319.424 1.748 10 10 DDCE CCCN[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852843544 AOYIVMFLJZPTBD-KBPBESRZSA-N 305.422 1.778 10 10 DDCE O=C(/C=C\COC1CCOCC1)NCc1ccc(O)c(O)c1 866769104 IDPOTFMWRKHQAN-UPHRSURJSA-N 307.346 1.466 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1CCN(C2CCC2)C1=O 869443102 JYMNNDDJIJHFQX-ZQMJAJRESA-N 317.341 1.808 10 10 DDCE CCOc1ccc(O)c(CN2CC[C@@](OC)(C(=O)OC)C2)c1 862474250 OYKPQKMNTHTAIY-INIZCTEOSA-N 309.362 1.555 10 10 DDCE COc1ccc(CNC(=O)c2nc([C@@H]3C[C@@H]3C)no2)c(O)c1 865988061 MJKLLSDXVKMRJQ-GZMMTYOYSA-N 303.318 1.837 10 10 DDCE COC(=O)C[C@@H]1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 1119926081 PHQSPLZGSXBUNQ-ACOKAEEESA-N 319.357 1.959 10 10 DDCE COc1nc(C)cc(C)c1CNC(=O)Cc1ccc(O)c(O)c1 1136600577 XZNJVQZINXZBTF-UHFFFAOYSA-N 316.357 1.977 10 10 DDCE Cc1cc(C(=O)NCc2c(O)cccc2O)ccc1-n1cncn1 1156881113 PQHDFPDMEZEYIS-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE CC(=O)C(=O)[C@@]1(O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 1961762572 MWMIQIWBYDQOMZ-XFBWCDHKSA-N 311.378 1.543 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)[C@H](CO)NC(=O)OC(C)(C)C 1885563244 RLCAOWGWNFMRQD-VIFPVBQESA-N 301.347 1.031 10 10 DDCE NCc1ccc(N2CCS[C@@H](CO)C2)c(Br)c1 720060802 MUOBUAMYWYADGV-SNVBAGLBSA-N 317.252 1.822 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]2CC[C@H](C1)S2(=O)=O 1331931603 RBCUXOKXZQPECD-ZSOGYDGISA-N 323.414 1.706 10 10 DDCE O=C(CCCCN1CCOCC1)NCc1cccc(O)c1O 1347542662 PMYKPTMUGSCWGV-UHFFFAOYSA-N 308.378 1.217 10 10 DDCE COC(=O)c1ccccc1N=Nc1c(O)nc(=NC#N)[nH]c1N 1933276602 OIIPVSXBRNJQID-UHFFFAOYSA-N 313.277 1.281 10 10 DDCE CN1CCC2(CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)CC1 1448518386 MTKHNWDIWSXKBX-UHFFFAOYSA-N 318.417 1.975 10 10 DDCE COc1cccc(CNC(=O)c2c(C)nc(O)nc2S)c1O 1294937829 UZNHHFICDSGLAK-UHFFFAOYSA-N 321.358 1.424 10 10 DDCE C[C@H](C[S@](C)=O)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1295580712 PORMYCJFXJMDCB-BTKVJGODSA-N 310.379 1.688 10 10 DDCE C[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1ccccc1O 1454819472 RNFMOHHVORWHFN-LBPRGKRZSA-N 323.352 1.980 10 10 DDCE O=C(NCc1cccc(Cl)c1O)c1cn([C@@H]2CC[C@H]2O)nn1 1457035838 KVDYCMQRPLCOOL-VXGBXAGGSA-N 322.752 1.263 10 10 DDCE C[C@@H](Cn1cccn1)NC(=O)c1ccc(N=NC(N)=O)cc1 1625369488 GLQBANNRCSTQJY-JTQLQIEISA-N 300.322 1.864 10 10 DDCE CN1Cc2ccccc2[C@@H](NC(=O)c2cccc(O)c2O)C1=O 1557542473 TVWYQCIZZYJGKW-CQSZACIVSA-N 312.325 1.541 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H](CNCCF)C2CC2)cc1 1498872279 FQYLCUNWOTXUOM-CYBMUJFWSA-N 321.356 1.917 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCSC2(CCOCC2)C1 1638949565 BQSMRERHDTXWGP-UHFFFAOYSA-N 323.414 1.765 10 10 DDCE CS(=O)(=O)N1CCC[C@H](CC(=O)Cc2ccc(N)cc2)C1 166803861 FPDQWFQRIKUCDJ-CYBMUJFWSA-N 310.419 1.442 10 10 DDCE C[C@H](c1ccccc1O)N(C)C(=O)[C@@H]1CCCCS1(=O)=O 168652547 QEEBOWCDGBDFIB-RISCZKNCSA-N 311.403 1.879 10 10 DDCE Cc1ccc(O)c(CNCC(=O)Nc2ccc(C(N)=O)cc2)c1 1857858039 RYMVHYRVXNXWHL-UHFFFAOYSA-N 313.357 1.528 10 10 DDCE COC(=O)CCS(=O)(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 1912191570 SYEIYVUTLYZSDE-JTQLQIEISA-N 304.372 1.292 10 10 DDCE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1ccc(N)cc1 1993284634 QBJDLADJLXEKLG-ZWNOBZJWSA-N 323.393 1.506 10 10 DDCE COCCOCC[S@@](=O)CCCOc1ccc(N)cc1 2145903112 LCHIUUUPHBHFFR-FQEVSTJZSA-N 301.408 1.449 10 10 DDCE CN(C)[C@H]1CN(c2ccc(CN)c(Br)c2)C[C@@H]1O 2029437647 SBEDANCUDGREQZ-STQMWFEESA-N 314.227 1.019 10 10 DDCE CN(c1ccc(CN)c(Cl)c1)[C@H]1CCN(S(C)(=O)=O)C1 380461231 PFJVRJURVFFXPU-LBPRGKRZSA-N 317.842 1.269 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@H](C)O[C@@H](C)C3)c2n1 2064251057 WDLHFNLMDJRSOV-MNOVXSKESA-N 304.350 1.383 10 10 DDCE COc1cccc(O)c1CN(C)[C@@H](C)[C@H](C)S(C)(=O)=O 2170637613 VFVNDBVPGOYIFC-QWRGUYRKSA-N 301.408 1.654 10 10 DDCE CN(Cc1cccc(Br)c1O)[C@H]1CC(=O)NC1=O 2051513160 GVBBQFRSJXNNET-VIFPVBQESA-N 313.151 1.002 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1Cl 2205603610 WSZUMXBITBTIID-AIUZOBBOSA-N 302.777 1.500 10 10 DDCE O=S(=O)(CCN[C@H]1CCc2cccc(O)c21)C(F)(F)F 2232495647 VMIVGBIDJSKABE-VIFPVBQESA-N 309.309 1.904 10 10 DDCE CS(=O)(=O)[C@H](CNCc1c(O)cccc1Cl)C1CC1 2224610882 CGGURPUQMXQRSX-CYBMUJFWSA-N 303.811 1.958 10 10 DDCE CSc1ncc(CNCC(C)(C)N2CCNCC2)s1 2269314987 UHNWTTKDUFKDBO-UHFFFAOYSA-N 300.497 1.638 10 10 DDCE CNOCC(=O)NCc1ccc(C)c(Br)c1O 2307568641 FAXYQXVVDYWPTP-UHFFFAOYSA-N 303.156 1.230 10 10 DDCE Cc1ccc(CN(C)c2nnn(C)n2)c(O)c1Br 2327587542 ZQDPITFVFOULQO-UHFFFAOYSA-N 312.171 1.623 10 10 DDCE CO[C@H]1CC[C@](NCc2cnc(SC)s2)(C(=O)O)C1 2350652837 OOEVIYYKZONZJM-QPUJVOFHSA-N 302.421 1.977 10 10 DDCE COc1cccc(CNC(=O)c2ccc(-n3cncn3)cc2)c1O 105652625 CVNVSRMLUDMGRX-UHFFFAOYSA-N 324.340 1.912 10 10 DDCE O=C1C[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CN1 117975640 QCHYWBBCTWYYDU-ZIAGYGMSSA-N 318.373 1.036 10 10 DDCE CCCNCc1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)c(F)c1 36870455 ZUGZDMFKKHLUPC-CYBMUJFWSA-N 314.426 1.949 10 10 DDCE O=C1COc2c(Br)cc(N3CCNCC3)cc2N1 62564103 BGVXDBFMNHANRC-UHFFFAOYSA-N 312.167 1.190 10 10 DDCE Nc1ccc(CC(=O)NCc2cccnc2-n2ccnc2)cc1 195153743 BNMSNQIHYHLBDK-UHFFFAOYSA-N 307.357 1.708 10 10 DDCE C[C@@H](O)CNCc1ccc(N2CCN(CC3CC3)CC2)cc1 819199553 AQWJIZSERWQNRJ-OAHLLOKOSA-N 303.450 1.689 10 10 DDCE CNC(=O)[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 817369988 JDVPTQYWTGLGBE-LLVKDONJSA-N 306.406 1.963 10 10 DDCE CCCN(CC(=O)N(C)C)C(=O)/C=C\c1ccc(O)c(O)c1 588403920 IKIDHDGRHUTWIB-VURMDHGXSA-N 306.362 1.438 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@H](C(=O)O)[C@H]2CCCO2)cc1 904025111 CQDPZGQKZFXUNE-CFSAUIFESA-N 304.390 1.988 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@]2(C(=O)O)CCSC2)cc1 908758938 TXBKFOLFBZVPSX-OAHLLOKOSA-N 323.418 1.512 10 10 DDCE Nc1ccc(CC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)cc1 832002734 UMKNMWXYIDTMHG-MRXNPFEDSA-N 324.384 1.518 10 10 DDCE CN(C)c1ccc(/C=C\CNCC2(S(C)(=O)=O)CC2)cc1 835051456 GCSYYSMPABVAKV-PLNGDYQASA-N 308.447 1.933 10 10 DDCE COC1(CS(=O)(=O)NCc2ccccc2O)CCOCC1 845868915 VBBNYYUNXXRMBO-UHFFFAOYSA-N 315.391 1.007 10 10 DDCE CNC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 843049190 ISMHUXYCAJUJBM-UHFFFAOYSA-N 307.413 1.846 10 10 DDCE COc1nc(C(=O)NCc2ccc(N3CCOCC3)cc2)co1 858724323 NUNJTMJRUYSQFM-UHFFFAOYSA-N 317.345 1.450 10 10 DDCE COC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855233301 FVHAUQHTJXCKKJ-NWDGAFQWSA-N 321.377 1.135 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)[C@@H]2CCNC2=O)c([N+](=O)[O-])c1 758284459 GFEDOCJSKCIOCH-TXNVCOODSA-N 319.317 1.106 10 10 DDCE CN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCN(C2CC2)C1 768448609 SUEKDQPUJVTDKN-BBRMVZONSA-N 304.390 1.487 10 10 DDCE CN(C)c1cc(F)c(CN[C@@H](C(=O)O)c2cnn(C)c2)cc1F 864511985 UWGWOCNHWKHLJQ-CQSZACIVSA-N 324.331 1.680 10 10 DDCE O=C(NC1CC1)C1(C(=O)N2Cc3cccc(O)c3C2)CCC1 871202917 PCPCKDFOHMXEQW-UHFFFAOYSA-N 300.358 1.683 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](CC1CC1)NC(=O)OC(C)(C)C 885728283 JVUIBAGPOQUCEM-NSHDSACASA-N 313.350 1.381 10 10 DDCE Cn1cnnc1-c1cncc(NC(=O)c2cccc(O)c2O)c1 1137976758 KWOSENBHBSGEQX-UHFFFAOYSA-N 311.301 1.541 10 10 DDCE CC(=O)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 895451457 KCIBAAALVWZGMY-UHFFFAOYSA-N 320.370 1.617 10 10 DDCE CN(Cc1ccccc1)C[C@H](N)C(=O)NCc1ccccc1O 702368165 GQMJXFFIRBBMCZ-INIZCTEOSA-N 313.401 1.468 10 10 DDCE C[C@@]1(Br)C[C@@H]1C(=O)NCc1c(O)cccc1O 1178916941 FGNKSMBPOGLKRX-PRHODGIISA-N 300.152 1.888 10 10 DDCE Nc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 41625961 FHHNCQMWHFAOFM-UHFFFAOYSA-N 305.315 1.504 10 10 DDCE C[C@@H]1C[C@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 1323745528 IJMWCGLFOLSHHB-HIFRSBDPSA-N 313.401 1.451 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CO[C@@H]3CCOC3)C2)cc1 1334470899 KUNWSKAHRUDSFS-CZUORRHYSA-N 320.389 1.196 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)[C@@H]2C[C@H]2C)cc1C 1283791984 IZYIGQQOXGQYLB-BYCMXARLSA-N 306.406 1.226 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cccnc1-n1cccn1 1469160200 PRQHEHIFMOAMBR-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CC(C)(C)OC(=O)N1CCNC[C@H]1c1c(O)cc(O)cc1O 1535987735 LMTNPHZWSUHSQQ-JTQLQIEISA-N 310.350 1.685 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)c1c(F)cccc1F 1546111352 FYZJROZSQVIKOL-LBPRGKRZSA-N 323.295 1.768 10 10 DDCE O=C(Cn1ncc2ccccc2c1=O)N1Cc2cccc(O)c2C1 1632703013 AHMIKUPUNPTKPH-UHFFFAOYSA-N 321.336 1.645 10 10 DDCE O=C(N[C@@H]1CS(=O)(=O)Cc2ccccc21)c1cc(O)cs1 1641111962 YRXPUMULERZYGH-GFCCVEGCSA-N 323.395 1.853 10 10 DDCE CNCc1ccc(N(C)CC(=O)N(C)C)cc1C(F)(F)F 167356941 KUMWLBIGMHLRNK-UHFFFAOYSA-N 303.328 1.949 10 10 DDCE CNC(=O)[C@H](C)N(C)Cc1cc(Br)cc(F)c1O 1916804838 YOQUJYCKGRMPSQ-ZETCQYMHSA-N 319.174 1.860 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)c(Cl)c1 2144166279 GAHMIZVXCHGFEY-YUSALJHKSA-N 315.822 1.874 10 10 DDCE CCN[C@@H](c1ccccc1O)c1c(Br)nnn1C 2029564723 VLMGZSDJNHVWCV-JTQLQIEISA-N 311.183 1.982 10 10 DDCE C[C@@H]1CCN(c2ccc(CO)c(Br)c2)[C@@H]1C(N)=O 2029788795 UTOTVKXNSGONCR-PELKAZGASA-N 313.195 1.642 10 10 DDCE OCCC[C@H](CO)NCc1cc(Br)cc(F)c1O 2029922318 CDFCFZSUEXNYDQ-SNVBAGLBSA-N 322.174 1.517 10 10 DDCE CO[C@H]1C[C@@H](CN)N(Cc2c(O)cccc2Br)C1 2030288512 OTPMVJYIFXHIIX-UWVGGRQHSA-N 315.211 1.703 10 10 DDCE CCN(CC(C)C)S(=O)(=O)CCOc1ccc(N)cc1 70490575 QQZSKFJHQWVKKN-UHFFFAOYSA-N 300.424 1.955 10 10 DDCE COc1ccc(CNC(C)(C)CNS(C)(=O)=O)cc1C 708352060 DLYHUMFFSKVTAV-UHFFFAOYSA-N 300.424 1.421 10 10 DDCE CN[C@@H](C)c1ccc(N(C)CC(N)=O)cc1Br 723163572 BUQBHLSBVLYHSB-QMMMGPOBSA-N 300.200 1.651 10 10 DDCE O=C(N[C@@H]1CCCC2(CC1)OCCO2)c1cc(O)c(O)c(O)c1 2188920104 SIKLDRWQZLSCOF-LLVKDONJSA-N 323.345 1.609 10 10 DDCE NCc1ccc(N2CC(=O)N[C@H]3CC[C@@H]32)cc1Br 2049372515 URMAENUTEGRLMS-RYUDHWBXSA-N 310.195 1.375 10 10 DDCE C[C@]1(CO)COCCN(c2cc(Cl)c(CN)cc2F)C1 2199841693 INPVMFNIPRZKDR-AWEZNQCLSA-N 302.777 1.773 10 10 DDCE CN(C)c1ccc(CNCCCS(=O)(=O)C(F)F)cc1 2237642500 WESCAVADDXWYLD-UHFFFAOYSA-N 306.378 1.870 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CNC(C)(C)CO2)s1 2269099338 OWBSUFRTSYTUAU-SECBINFHSA-N 301.437 1.248 10 10 DDCE CNCCn1cc(C(=O)NCc2cnc(SC)s2)cn1 2284494583 OYLKZPIBKNUWOG-UHFFFAOYSA-N 311.436 1.211 10 10 DDCE COC(=O)CCCS(=O)(=O)N[C@@H](C)c1ccccc1O 867834344 MOOLJEOTMMKHQD-JTQLQIEISA-N 301.364 1.326 10 10 DDCE CN(C[C@H]1CCOC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 301697061 QFHSQUKULMUQMO-SECBINFHSA-N 307.306 1.398 10 10 DDCE Cc1nc(S(=O)(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])c(Cl)n1C 2364140424 JDKDNARVSJDCOW-YUMQZZPRSA-N 318.790 1.892 10 10 DDCE CN[C@H]1C(=O)Nc2cc(N3CCC[C@@](C)(O)C3)c(Cl)cc21 222418424 LCWSLWQRRRBMJV-UKRRQHHQSA-N 309.797 1.904 10 10 DDCE O=C(Nc1ccc2c(c1)OCCO2)c1cc(O)c(O)c(O)c1 147277560 YXMLIZFZLQNROH-UHFFFAOYSA-N 303.270 1.827 10 10 DDCE CN(C)CC(=O)N1Cc2cc(N(C)C)ccc2[C@@H]1c1cnco1 96260745 AEAMCXXDCOFXTG-QGZVFWFLSA-N 314.389 1.734 10 10 DDCE O=C(O)[C@@H]1CNCCN1Cc1cc(Br)ccc1O 236446700 DVGVLBOARKHYHD-JTQLQIEISA-N 315.167 1.013 10 10 DDCE COC[C@@H](O)CN(CC(=O)OC)Cc1cc(Cl)ccc1O 269602884 AXXXMSHQYBWATO-LBPRGKRZSA-N 317.769 1.028 10 10 DDCE COc1cc(O)c(CN2CC3(C2)CN(C)C(=O)O3)cc1OC 817415839 BLLOQHWFWHNKHO-UHFFFAOYSA-N 308.334 1.046 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN(C)C1=O 825873697 MNYVNBURLWOLQN-OAHLLOKOSA-N 303.406 1.546 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=O)N(C)[C@@H](C)CO)C2)cc1 824688370 WRPBCIIPPAEXJD-KBPBESRZSA-N 321.421 1.544 10 10 DDCE COCCCNC(=O)CN(C)C/C=C\c1ccc(N(C)C)cc1 835024858 DKUGXVKKHHWOKR-ALCCZGGFSA-N 319.449 1.850 10 10 DDCE CC[C@H](CO)N1CCN(Cc2ccc(N(C)C)cc2C)CC1 840915452 ASBTWNPGJYYXBE-QGZVFWFLSA-N 305.466 1.950 10 10 DDCE O=C(c1cccc(O)c1O)N1CCn2c(CC3CC3)nnc2C1 846361659 BLCHVHYCHIYFMM-UHFFFAOYSA-N 314.345 1.298 10 10 DDCE CCn1cncc1S(=O)(=O)NCc1cccc(OC)c1O 751309215 JCCCCFWEEKFKOS-UHFFFAOYSA-N 311.363 1.096 10 10 DDCE Nc1ccc(CCNC(=O)c2cc(C3CCNCC3)no2)cc1 852796468 TZZIMRYNGNSZOA-UHFFFAOYSA-N 314.389 1.696 10 10 DDCE C[C@]12COC[C@H]1CN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2 853859761 XSJKDKJXYRUDHC-PSLIRLAXSA-N 319.317 1.398 10 10 DDCE CC[C@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)N(C)C 855234200 VDQBAUZJIDVLRA-CZUORRHYSA-N 305.422 1.730 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NCc2cccc(O)c2O)C1 1896039010 FYMWDDUSPXMXNT-DGCLKSJQSA-N 324.377 1.168 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(c2ncccn2)CC1 1156108254 UWNADDOYUHTTTE-UHFFFAOYSA-N 313.357 1.837 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@@H]1CCO[C@H]1c1ccncc1 1156886105 UCOPCROBNMGBIO-WBMJQRKESA-N 314.341 1.887 10 10 DDCE Nc1nnc([C@H]2CCCN(C(=O)c3cccc(O)c3O)C2)o1 1301584700 FVNAYIZGPMUWPW-QMMMGPOBSA-N 304.306 1.083 10 10 DDCE NC(=O)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 1294351387 CXGMPJOLPAONET-CYBMUJFWSA-N 320.389 1.581 10 10 DDCE O=C(Cc1c(O)ncnc1O)NCc1cccc(Cl)c1O 1457038717 ZMRMSMMCZCIGHH-UHFFFAOYSA-N 309.709 1.106 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H](C1CCOCC1)C1CC1 1469758030 DDQBZFOZTAFJIZ-KRWDZBQOSA-N 305.374 1.962 10 10 DDCE Cc1nc2ccccn2c1CNC(=O)Cc1ccc(O)c(O)c1 1603590807 ZBKVVBDYAHBAOA-UHFFFAOYSA-N 311.341 1.913 10 10 DDCE NC(=O)CSCC(=O)NCc1c(O)ccc2ccccc12 1647791996 YZHHAVHBPSJVHP-UHFFFAOYSA-N 304.371 1.380 10 10 DDCE COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](O)CO)c2C)cc1 1646227700 LUWHZJQONPRCPD-CQSZACIVSA-N 318.373 1.186 10 10 DDCE Nc1ccc(NC(=O)CCCn2cc(Cl)cnc2=O)cc1 168163821 VSEHTPVFZCVEBX-UHFFFAOYSA-N 306.753 1.898 10 10 DDCE C[C@@H](NCc1ncnn1C)c1ccc(N2CCOCC2)c(F)c1 153042993 NYGBEJWWOOMBQY-GFCCVEGCSA-N 319.384 1.642 10 10 DDCE COCOc1c(C)n(CCOc2ccc(N)cc2)ccc1=O 1857919498 JJLASZOJENYOMG-UHFFFAOYSA-N 304.346 1.801 10 10 DDCE CCN(CCSC)S(=O)(=O)CCOc1ccc(N)cc1 1917023889 SMOWPHRBIQJKPS-UHFFFAOYSA-N 318.464 1.662 10 10 DDCE Nc1ccc(OCCN2CCC3(C2)CC2(C3)OCCO2)cc1 1917296143 MDXKTGIIGWZZPK-UHFFFAOYSA-N 304.390 1.877 10 10 DDCE Cn1ncc(Br)c1NC(=O)Cc1ccc(N)cc1 2038260114 GLJBUBYLSSUQFZ-UHFFFAOYSA-N 309.167 1.946 10 10 DDCE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1ccc(CN)c(F)c1F 2170629473 FBYPBBFSJBXZAE-RKDXNWHRSA-N 306.378 1.681 10 10 DDCE COc1cc(Cl)cc(CN2CC[C@@H](CO)[C@H](N)C2)c1O 2178869785 GQNXNXRPSANKRV-JOYOIKCWSA-N 300.786 1.196 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@@H](C)C(N)=O)cc1Br 723182907 PLYBJXYFIRJSES-YUMQZZPRSA-N 300.200 1.779 10 10 DDCE CC(CO)(CO)CNCc1cc(Br)ccc1O 393897598 VBEHGVFSAFIHMW-UHFFFAOYSA-N 304.184 1.235 10 10 DDCE COC(=O)C=Cc1ccc(N2CC[C@@H]2C(=O)OC)c([N+](=O)[O-])c1 2059801030 BKJOEPPCANBDEW-GFCCVEGCSA-N 320.301 1.533 10 10 DDCE CCN(C)C[C@H]1CCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2062269261 TXUGZGIJOUGDOA-GFCCVEGCSA-N 317.393 1.157 10 10 DDCE COc1ccc(O)c(Cn2ncc(CN)c2Br)c1 2070336337 HNLCVNIMHHETCZ-UHFFFAOYSA-N 312.167 1.867 10 10 DDCE O=C(NCC1CCC2(CC1)OCCO2)c1cc(O)c(O)c(O)c1 2188920888 ZJLIMHFAEQAENB-UHFFFAOYSA-N 323.345 1.467 10 10 DDCE O=C1NCC[C@H]1CCNCc1cc(Br)ccc1O 2075989090 GVUGUBQHRFHTEU-SECBINFHSA-N 313.195 1.771 10 10 DDCE C[C@H](N)c1ccc(N2CC3(CCC(=O)N3)C2)c(Br)c1 2229699484 MXHOFYIDKAFWEX-VIFPVBQESA-N 324.222 1.938 10 10 DDCE Cn1nc(Br)c(=NC(=O)Nc2ccc(N)cc2)[nH]1 2320088716 SUVSREKACZQSFQ-UHFFFAOYSA-N 311.143 1.226 10 10 DDCE Nc1ccc(CC(=O)N2[C@@H](C(=O)O)CS[C@@H]2C2CC2)cc1 111419069 KWTRJPBYCCMDCO-TZMCWYRMSA-N 306.387 1.576 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1Cl 2358207380 WSZUMXBITBTIID-OJICRYGUSA-N 302.777 1.500 10 10 DDCE COCCN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1C 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Nc1ccc(Cc2noc([C@]34[C@H]5C(=O)[C@H]6[C@H]7C[C@@H]([C@@H]63)[C@@H]4[C@H]75)n2)cc1 843161404 TTYJEAGCSHKZHF-JOAVENAKSA-N 319.364 1.821 10 10 DDCE Oc1c(F)cc(Cl)cc1CN1CCN2C[C@H](O)C[C@H]2C1 848926067 KQFHBCGPDHXIGS-NWDGAFQWSA-N 300.761 1.436 10 10 DDCE O=C(O)CN1C(=O)/C(=C/c2cnn3c2CCC3)SC1=S 849176351 LWZXZOQBLPJYIE-WTKPLQERSA-N 309.372 1.115 10 10 DDCE CC(=O)C(=O)COC(=O)[C@]1(C)Cc2ccc(C)cc2C(=O)O1 924212779 YJUXMIRUZBCBDJ-INIZCTEOSA-N 304.298 1.168 10 10 DDCE CCO[C@H](CS(=O)(=O)NCc1c(O)cccc1F)C1CC1 921451115 KDFKDRNIQOEWSW-CQSZACIVSA-N 317.382 1.766 10 10 DDCE COc1cc(N(C)C[C@@H]2C[C@@H]3COC[C@H]3O2)cc(OC)c1OC 929707384 LKUNUHXMGCTYGD-PVXIVEMSSA-N 323.389 1.953 10 10 DDCE CN1CCN(c2ccc(CN[C@@H]3C[C@H](O)C34CCC4)cc2)CC1 850388924 RGCUWZIPGZHTQG-MSOLQXFVSA-N 315.461 1.832 10 10 DDCE OCCO[C@@]1(CNCc2cc(Cl)ccc2O)CCOC1 850358544 RTNREDVVVVFKOR-CQSZACIVSA-N 301.770 1.303 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1 858288012 RMPPRXMEGKVQMF-IACUBPJLSA-N 317.389 1.509 10 10 DDCE C[C@H](NC(=O)NCCN1CCOCC1(C)C)c1ccccc1O 868282370 VHPGWLSJOIINEV-ZDUSSCGKSA-N 321.421 1.863 10 10 DDCE COc1ccc(O)c(CNCCN2C[C@H]3CCCCN3C2=O)c1 895342013 LJXXBGJUDBHIAD-CQSZACIVSA-N 319.405 1.781 10 10 DDCE CCN(CC)c1ccc(CN2CCn3nnc(CO)c3C2)cc1 894803710 SLCZGTJZWYJNDC-UHFFFAOYSA-N 315.421 1.632 10 10 DDCE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)Cc2ccc(O)c(O)c2)C1 1963888252 MNENZEGALCGSTL-WCQYABFASA-N 321.373 1.640 10 10 DDCE C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(O)ccc1O 1176748373 QPZUYYJKAPHDLQ-SECBINFHSA-N 310.350 1.627 10 10 DDCE O=C(C(=O)N1CC[C@@]2(C1)CC2(F)F)N1Cc2cccc(O)c2C1 1330501810 HIPFEGYIIQSWCC-HNNXBMFYSA-N 322.311 1.492 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)[C@@]2(F)CCOC2)cc1C 1266964969 PJEGYQXNMOZLTB-SUMWQHHRSA-N 324.396 1.727 10 10 DDCE CC(=O)NC1CCC(C(=O)N2Cc3cccc(O)c3C2)CC1 1347888532 ATHYLVKPBJBSIR-UHFFFAOYSA-N 302.374 1.929 10 10 DDCE CCOc1cc(CNCCOC)ccc1N1CCCNCC1 212032089 QOEVCXODGVKIKZ-UHFFFAOYSA-N 307.438 1.621 10 10 DDCE COC(=O)c1cnc(CNC(=O)c2cccc(O)c2O)s1 1471902533 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317.823 1.998 10 10 DDCE CO[C@@]1(CNCc2c(O)cccc2Cl)CCS(=O)(=O)C1 721269018 WXMCAEFJTHIMIN-CYBMUJFWSA-N 319.810 1.339 10 10 DDCE O=C(Nc1cccc(Cc2nn[nH]n2)c1)c1cccc(O)c1O 1298994351 RACRNEGAXLWQBW-UHFFFAOYSA-N 311.301 1.454 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2ccc(-n3cnnn3)c(C)c2)c1 1453652585 SNQMNZHAEAMMON-UHFFFAOYSA-N 323.356 1.915 10 10 DDCE CC(C)(C)N1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1=O 1469407170 YEYSCTDEKJKQKB-LLVKDONJSA-N 306.362 1.156 10 10 DDCE Cn1ccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)n1 1633497516 USORAABCAILDPE-UHFFFAOYSA-N 300.322 1.555 10 10 DDCE C[C@H](NC(=O)c1cc2n(n1)CCC[C@H]2O)c1ccccc1O 1632255106 LQFYHXAKNSPHOO-ZUZCIYMTSA-N 301.346 1.907 10 10 DDCE CC(C)N1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1=O 1637019339 UCCACBHTTORZQU-UHFFFAOYSA-N 317.349 1.542 10 10 DDCE O=C(NCc1cccc(O)c1O)c1nnc(O)c2ccccc12 1643809164 GFINQMPRDXJGLO-UHFFFAOYSA-N 311.297 1.677 10 10 DDCE O=C(NC[C@@H](O)c1cnc[nH]1)c1cc2cc(O)c(O)cc2s1 1644692856 BLWGNCFNDNVYNN-LLVKDONJSA-N 319.342 1.499 10 10 DDCE Cc1noc(C2(NC(=O)c3ccc(N=NC(N)=O)cc3)CC2)n1 1653705449 VSZORGLWGURDDL-UHFFFAOYSA-N 314.305 1.960 10 10 DDCE CCNCc1ccc(N2CCNC(=O)C2)cc1C(F)(F)F 167344174 WLAHAROUZIUWTD-UHFFFAOYSA-N 301.312 1.751 10 10 DDCE Nc1ccc(CN2CCC[C@H](NC(=O)Cc3ccncc3)C2)cc1 586071465 ONAJXABNASSDLL-SFHVURJKSA-N 324.428 1.987 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CC(F)(F)C3)c(Br)cc21 1916991105 JFPSTUVSGGBZTG-SECBINFHSA-N 318.121 1.856 10 10 DDCE O=C(NCc1ncccc1Br)c1cc(O)nc(O)c1 1926834696 XLBCMVOVXUJOLX-UHFFFAOYSA-N 324.134 1.580 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H]3[C@H](C(N)=O)[C@@H]3C2)c(Br)c1 2136599248 BVWLEIJKGNDZBJ-SQFXPHBZSA-N 324.222 1.636 10 10 DDCE CC(C)(C)OC(=O)N[C@@](C)(CC(=O)O)c1cc(O)nc(O)c1 1952464059 UKPRTCRCGOYTRZ-AWEZNQCLSA-N 312.322 1.707 10 10 DDCE COCCNCc1ccc(N2C[C@@H](O)[C@H](F)C2)cc1Cl 2149257752 LZBCDNNQLHJNQP-ZIAGYGMSSA-N 302.777 1.595 10 10 DDCE CCON(Cc1c(O)cccc1Br)C1CNC1 2006376287 CBMPPIQJWJQSTI-UHFFFAOYSA-N 301.184 1.880 10 10 DDCE CCOC(=O)CCS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2155553232 SODXYZYAGZCPFC-JTQLQIEISA-N 304.372 1.434 10 10 DDCE COc1cc(Br)c([C@@H](O)C(=O)C(C)=O)cc1OC 2030400407 NKLFMZQGRALHKT-GFCCVEGCSA-N 317.135 1.658 10 10 DDCE Oc1cccc(Br)c1CN[C@@H]1CO[C@H]2COC[C@H]12 2040332845 DFJKLZZVFLMUAM-XWIASGKRSA-N 314.179 1.658 10 10 DDCE Oc1c(F)cc(Br)cc1CNCc1ncon1 715745244 LFELNOYEQKLOHB-UHFFFAOYSA-N 302.103 1.967 10 10 DDCE O=C1Nc2cc(N3C[C@@H](CO)[C@@H](F)C3)c(Cl)cc2[C@@H]1O 2177140054 QHNPJRUYILMVQT-HQLZOWSPSA-N 300.717 1.092 10 10 DDCE CN(C)C[C@@H]1CN(c2cc(Cl)c(CN)cc2F)CCO1 2177381977 UIMAUDJVQMPHAC-LLVKDONJSA-N 301.793 1.705 10 10 DDCE CC(C)(C)OC(=O)NCc1ccc(Nc2nnc(=N)[nH]n2)cc1 2210645151 FOARGCSLAWDWNH-UHFFFAOYSA-N 317.353 1.447 10 10 DDCE CCCN(CCS(C)(=O)=O)c1ccc(CO)c(OC)c1 2204543692 RBGMRYVGJXWDHZ-UHFFFAOYSA-N 301.408 1.449 10 10 DDCE CO[C@@H]1CNC[C@H](C(=O)NCc2cnc(SC)s2)C1 2269199806 MPPMXOGPOQUNTA-BDAKNGLRSA-N 301.437 1.106 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2C[C@@H](N)CC(C)(C)O2)s1 2284509717 WXVDOXHIGSFGPZ-PSASIEDQSA-N 315.464 1.766 10 10 DDCE CS(=O)(=O)C1CC(C(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)C1 2285384485 UORCBKANJAPOSZ-HSOILSAZSA-N 300.384 1.501 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N[C@@H](CCO)c1ccco1 2309444489 DBLABOQWSOERMQ-LBPRGKRZSA-N 303.314 1.944 10 10 DDCE CC(=O)N(C)CCN(C)c1ccc(CO)cc1Br 2317269956 RMDHYDPLADSHGX-UHFFFAOYSA-N 315.211 1.856 10 10 DDCE Cc1cc(O)c(CN2CCN(Cc3nc[nH]n3)CC2)c(Cl)c1 1353604505 CWLNHGNGSOYRKK-UHFFFAOYSA-N 321.812 1.790 10 10 DDCE O=C(/C=C/c1ccc(N2CCOCC2)cc1)O[C@H]1CCOC1 66730727 XVLJYBVDBNLPDR-GIZXNFQBSA-N 303.358 1.869 10 10 DDCE CC(=O)C(=O)[C@@H](O)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 1894251247 KIELLZHNWHLAMW-SCZZXKLOSA-N 307.293 1.150 10 10 DDCE COc1ccc(/C=C2\C(=O)N(C)C(=S)N=C2O)c(OC)c1 34829102 QDSGREYPSYTJGB-POHAHGRESA-N 306.343 1.801 10 10 DDCE O=C(c1cccc(O)c1O)N1CCC[C@H](Cn2cncn2)C1 193081347 LNFQVOIBUBBPSB-NSHDSACASA-N 302.334 1.242 10 10 DDCE COCc1nc([C@H]2COCCN2Cc2cc(F)ccc2O)no1 364095396 OKFSFTROQBDAPC-GFCCVEGCSA-N 323.324 1.634 10 10 DDCE COc1cccc(CN2CCN(CC(F)(F)F)C(=O)C2)c1O 289534816 HVFAVFKECBWJLK-UHFFFAOYSA-N 318.295 1.607 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(Br)ncc1Cl 808550751 SQLZKCJETCPOLL-UHFFFAOYSA-N 320.526 1.812 10 10 DDCE CC[C@@H](O)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 822614312 RDDBGLYYIXVYOS-CYBMUJFWSA-N 310.369 1.440 10 10 DDCE CN1CCCc2cc(CNS(=O)(=O)N(C)C3CC3)ccc21 736331659 IKLOJDJTHGULAY-UHFFFAOYSA-N 309.435 1.498 10 10 DDCE O=C(COC(=O)c1cn(C2CCC2)nn1)c1ccc(O)c(O)c1 830235950 WLDIDOMVDYFAEX-UHFFFAOYSA-N 317.301 1.454 10 10 DDCE CC1(C)CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1N 903984621 MSVVHOFVLWHXNM-MRXNPFEDSA-N 307.413 1.831 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@H](O)C2CCOCC2)cc1F 735878775 ZZFUXVOEFXBSCC-OAHLLOKOSA-N 310.369 1.295 10 10 DDCE Cc1cc(O)c(CN2CN(CCN(C)C)C(=O)[C@H]2C)cc1C 843428635 LIVUINZQCZXCNB-CQSZACIVSA-N 305.422 1.561 10 10 DDCE O=C1N[C@]2(C(=O)NCc3cc(Cl)ccc3O)C[C@H]3C[C@H]1[C@H]2C3 846476993 PWVURGLJGPMDRU-LQZWOCCTSA-N 320.776 1.577 10 10 DDCE COC1(OC)CC[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 926723913 GNXALCLMFBATQA-QGZVFWFLSA-N 320.433 1.889 10 10 DDCE Oc1ccccc1CNC[C@H]1CN(Cc2ccncc2)CCO1 858305678 AZIADQYPNDPHSY-KRWDZBQOSA-N 313.401 1.778 10 10 DDCE CN1C[C@@H]2CC[C@H](C1)C2NCc1ccc(N2CCOCC2)cc1 924750974 HVFFIKRWYYSLSW-JJTKIYQPSA-N 315.461 1.953 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCN(C)C3)C2)cc1 855226941 VBXRFCMONWWKES-KGLIPLIRSA-N 303.406 1.342 10 10 DDCE Oc1cc2c(cc1CN1C[C@H]3[C@H]4CC[C@@H](NC4)[C@H]3C1)OCO2 863650951 CBJXVDMTXXRDKY-DOERSZECSA-N 302.374 1.551 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@H]2COC(=O)N2)cc1F 773955834 MHQANUAHFHUEGH-GFCCVEGCSA-N 309.341 1.397 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@H]2C[C@@]2(CO)C1 782613396 IAEGIELEXAMHFP-QAPCUYQASA-N 317.433 1.025 10 10 DDCE O=[N+]([O-])c1cc(NS(=O)(=O)c2cnc3n2CCC3)ccc1O 783533255 SYXAECOINPQOAE-UHFFFAOYSA-N 324.318 1.244 10 10 DDCE COC[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCCOC1 899651906 BMCZNUGCMSOGBN-MWLCHTKSSA-N 313.325 1.408 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(N)cc1 1897681199 PJMPPXBZQDISRN-STQMWFEESA-N 321.377 1.578 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc2nn[nH]c2n1 1140198922 YPCHCYOCUIEABL-UHFFFAOYSA-N 318.333 1.474 10 10 DDCE O=C(NCC(F)(F)Br)c1c(F)ccc(O)c1O 1306836890 DPZZWDRGUQJLIV-UHFFFAOYSA-N 314.057 1.954 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](C1CCC1)[C@H]1CCOC1 1302621521 RNQSGHVXXHWZHO-GUYCJALGSA-N 305.374 1.962 10 10 DDCE CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1332061335 PVZIBUHEXQKXSR-ZDUSSCGKSA-N 320.389 1.100 10 10 DDCE CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC[C@@H](C)O 1267831579 RYOUXAGPWJEFIB-PWSUYJOCSA-N 321.381 1.328 10 10 DDCE COc1ccc(CNCCN(C)C(=O)Cc2cnc[nH]2)cc1C 1493710260 ZKXNIKLIVNNEHF-UHFFFAOYSA-N 316.405 1.517 10 10 DDCE CC(C)(C)OC(=O)COCC(=O)NCc1cc(O)ccc1O 1644753842 LDRFPMJTQBEXJA-UHFFFAOYSA-N 311.334 1.072 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)c2ccco2)cc1C 1571421854 OGARABPMCJBFSX-CQSZACIVSA-N 318.373 1.477 10 10 DDCE CCN(CCC(=O)O)C(=O)CNCc1cc(Cl)ccc1O 1857868688 WOKVTRITTKTOTC-UHFFFAOYSA-N 314.769 1.458 10 10 DDCE CS(=O)(=O)N1CCC(N2CCC[C@H](CN=[N+]=[N-])C2)CC1 1912179244 SFGRCXLIRCJRIO-LLVKDONJSA-N 301.416 1.433 10 10 DDCE C[C@@H](C(=O)OC(C)(C)C)S(=O)(=O)NCCCCN=[N+]=[N-] 1912205111 MRQOFYUXOPEIEU-VIFPVBQESA-N 306.388 1.727 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)c1c[nH][nH]c1=NC(=O)OC(C)(C)C 1900613208 VESPEVKNUIUFRJ-UHFFFAOYSA-N 323.357 1.951 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3C(C(N)=O)[C@@H]3C2)c(Br)c1 2136609991 BVWLEIJKGNDZBJ-FXBDTBDDSA-N 324.222 1.636 10 10 DDCE CO[C@@H]1COC[C@H]1CNCc1cc(Br)ccc1O 2036601266 CSODYAOEULOISY-ZWNOBZJWSA-N 316.195 1.906 10 10 DDCE C[C@H](C[C@H]1CCCS1(=O)=O)NCc1cccc(F)c1O 2156773513 WRQBTIRPSSWNJJ-ZYHUDNBSSA-N 301.383 1.977 10 10 DDCE C[C@H](NCCN1CCCS1(=O)=O)c1ccc(F)cc1O 405348242 WVUGPQAUODBYJY-JTQLQIEISA-N 302.371 1.217 10 10 DDCE CN1CCN(c2cc(Br)c(CN)cc2F)CC1 310440467 WELOUICHSODXCK-UHFFFAOYSA-N 302.191 1.799 10 10 DDCE Cc1oc(CO)cc1S(=O)(=O)Nc1ccc(O)c(F)c1 2157760507 YGTYUNKNKJIVDI-UHFFFAOYSA-N 301.295 1.726 10 10 DDCE Cn1cnnc1CCNCc1c(O)cccc1Br 706829312 WUABRZFWMNSPLP-UHFFFAOYSA-N 311.183 1.616 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2CCOC[C@@H]2OC)c1O 380464555 PUDHQBJRGKNRAX-AAEUAGOBSA-N 301.770 1.948 10 10 DDCE Oc1ccc(CNCc2cc(Br)ccc2O)nn1 391423807 WCNFBFIAWDORJT-UHFFFAOYSA-N 310.151 1.940 10 10 DDCE COc1cccc(O)c1[C@H](C)NC[C@H]1COC2(CCOCC2)O1 2062266578 BXCUJTXOYVVDDR-STQMWFEESA-N 323.389 1.974 10 10 DDCE C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1c(F)cc(CO)cc1F 2170324251 RFESVBCXFAVJPQ-DTWKUNHWSA-N 305.346 1.469 10 10 DDCE CCNCc1ccc(N2CC(O)(CO)C2)c(Br)c1 2051891797 JQPWHBHHDXVOAT-UHFFFAOYSA-N 315.211 1.102 10 10 DDCE C[C@@H]1O[C@H](C)C(=O)N(c2ccc(N)c(Br)c2)C1=O 2086187594 PBJHDIGYDGZIQX-KNVOCYPGSA-N 313.151 1.698 10 10 DDCE COc1ccc(Br)c(CN[C@@H]2COC[C@@H]2F)c1O 2220456401 LWUFXKNHLIVZHB-VHSXEESVSA-N 320.158 1.990 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2cccc(F)n2)s1 2269245784 MJMVFLRAUGBWDV-UHFFFAOYSA-N 319.408 1.878 10 10 DDCE CNCc1ccc(OC)c(CS(=O)(=O)C[C@H](C)OC)c1 2283837116 XMYVRABUPXAREO-NSHDSACASA-N 301.408 1.364 10 10 DDCE CSc1ncc(CN2CC(=O)N[C@@](C)(C3CC3)C2=O)s1 2284664524 GCDNOZSPYCFWQS-ZDUSSCGKSA-N 311.432 1.492 10 10 DDCE O=C1NN(c2ccccc2)C(=O)C1=C1C(=O)Nc2ccccc21 2297329800 NGWCKWGDSAJDOH-UHFFFAOYSA-N 305.293 1.470 10 10 DDCE C[C@H]1CCN(C(=O)C=Cc2ccc(O)c(O)c2)[C@H](C(N)=O)C1 2310376290 WSAHXVFMVIFDQA-JQWIXIFHSA-N 304.346 1.223 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCCCNC2)s1 2350653382 SZRCFPKCPDLIAQ-LBPRGKRZSA-N 301.437 1.552 10 10 DDCE CN1CCC(CN(C)S(=O)(=O)Cc2ccc(N)cc2)CC1 63120211 YXPSXLJHNLWWCX-UHFFFAOYSA-N 311.451 1.372 10 10 DDCE C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)CCN1CC(C)(C)O 189919566 JKAKZUDFJOZHFU-LBPRGKRZSA-N 323.393 1.577 10 10 DDCE COc1ccc(N2CCN(C(=O)CCc3cocn3)CC2)cc1 74643854 VGUGNXXDUHPWFG-UHFFFAOYSA-N 315.373 1.965 10 10 DDCE CC(=O)C(=O)COC(=O)CCc1ccc(OC(F)F)cc1 808504665 IWMRWPQEWYNKSS-UHFFFAOYSA-N 300.257 1.922 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 808521559 WFOOWNBMTJWMDC-RYUDHWBXSA-N 304.298 1.263 10 10 DDCE CC(=O)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)cc1O 808543832 OOBHPNHMTDDMBT-UHFFFAOYSA-N 306.249 1.032 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)Cc1nccn1C 822511434 FTLOGWTXGMUVNC-UHFFFAOYSA-N 303.362 1.691 10 10 DDCE C[C@@H](NC[C@@]1(CO)COCCN1C)c1cc(Cl)ccc1O 903283935 YIHCUNRWAORFGY-IAQYHMDHSA-N 314.813 1.389 10 10 DDCE Cc1nc(Cc2noc(/C=C\c3ccc(O)c(O)c3)n2)no1 588458102 QMIITVGOVMHJSD-HYXAFXHYSA-N 300.274 1.933 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@@H](CO)c2cnn(C)c2)cc1 835040455 CROWILYECIWNEU-BDUNBXCCSA-N 300.406 1.823 10 10 DDCE CC(=O)N1CC[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 846171110 RPHIYGCDKRKBHW-HSBHDXMMSA-N 304.346 1.096 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@H](C3CCC3)C1)[C@@H](O)CO2 840174512 BKOTXAAPLFPIAM-RDJZCZTQSA-N 305.374 1.819 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@@H]1OCCO[C@@H]1C(F)(F)F 910955444 FCTQYPXIEFQONV-MNOVXSKESA-N 321.251 1.060 10 10 DDCE COc1ccc(N2CCN(CCc3cn(C)nn3)CC2)cc1 859056214 UEDQMMMHCFBPAV-UHFFFAOYSA-N 301.394 1.188 10 10 DDCE Cn1c(Sc2ncc(C(C)(C)C)s2)cc(=O)n(C)c1=O 853446101 AYEFNJJOEUVFLE-UHFFFAOYSA-N 311.432 1.989 10 10 DDCE Oc1cc2c(cc1CN1CC[C@@]3(CCCOC3)C1)[C@@H](O)CO2 789543855 CNNKMLHPOXRODV-RDJZCZTQSA-N 305.374 1.821 10 10 DDCE CC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)O 780396683 FPNBOCWNTJYQLJ-CQSZACIVSA-N 305.378 1.949 10 10 DDCE O=C1NC(=S)S/C1=C\c1cnnn1Cc1ccccc1 792858562 KEMOGZGNZPLBRL-WDZFZDKYSA-N 302.384 1.815 10 10 DDCE O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1Cc2cccc(O)c2C1 1152572440 DYBLJARNEXFUBZ-UHFFFAOYSA-N 308.681 1.833 10 10 DDCE NC(=O)[C@@H](C1CC1)N(CC1CC1)C(=O)c1cccc(O)c1O 1171944749 NKIYHNTYTPITIJ-CYBMUJFWSA-N 304.346 1.214 10 10 DDCE COc1ccccc1[C@H](O)C(=O)NCc1c(O)cccc1F 1178412592 AWACBELAKHWOAK-HNNXBMFYSA-N 305.305 1.890 10 10 DDCE C[C@@H]1CC(F)(F)CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1332056860 JNZLUENCUXPDNV-SNVBAGLBSA-N 324.327 1.881 10 10 DDCE C[C@@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1348597300 SLIXOUXLFWRDNC-GFCCVEGCSA-N 302.374 1.883 10 10 DDCE C[C@@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1ccccc1O 1454799577 ULSRDPIKARSBHQ-LLVKDONJSA-N 314.341 1.747 10 10 DDCE Nc1c(C(=O)NCc2ccc(O)cc2O)cc(F)cc1[N+](=O)[O-] 1451768278 MXIYUTCUVUOPCY-UHFFFAOYSA-N 321.264 1.657 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-n2cccn2)nc1 1290579569 IXWNHGKTOQXPCE-UHFFFAOYSA-N 310.313 1.860 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](N2CCCC2=O)C1 1465067072 JTHUNQKWFVNUGJ-CYBMUJFWSA-N 318.373 1.254 10 10 DDCE O=C1C[C@H](C(=O)NCc2cc(O)ccc2O)[C@@H]2CCCC[C@@H]2N1 1471662067 MPIUBDFGIWLLTP-IHRRRGAJSA-N 318.373 1.409 10 10 DDCE CC1(C)[C@]2(C(=O)NCc3c(O)cccc3O)CC[C@@]1(C)C(=O)O2 1472063106 CTIXNQRHPUDMIN-DLBZAZTESA-N 319.357 1.836 10 10 DDCE C[C@@H](NC(=O)NCc1nnc2n1CCOC2)c1ccccc1O 1478566631 SPANQASBJPYRNU-SNVBAGLBSA-N 317.349 1.074 10 10 DDCE O=C(NCc1ccccc1O)c1ncnc(O)c1Br 1622773017 ROIBJPBMFGASMZ-UHFFFAOYSA-N 324.134 1.580 10 10 DDCE COc1ccc(CNC[C@H](C)CNC(=O)c2cnn[nH]2)cc1C 1715239195 KYGCIUOTJNUQFA-NSHDSACASA-N 317.393 1.277 10 10 DDCE C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1cc(O)ccc1O 1651225366 GZGBPOOTCGTDSZ-JTQLQIEISA-N 324.377 1.875 10 10 DDCE CC(C)C(=O)N1CCC[C@H]1C(=O)NCCc1ccc(N)cc1 152553056 FXAFGVYFNQCVTG-HNNXBMFYSA-N 303.406 1.575 10 10 DDCE CN(C)C[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1O 1928469324 HBANDHZHRAPCIP-GXTWGEPZSA-N 309.410 1.847 10 10 DDCE Oc1ccc(Br)cc1CN1CCO[C@@H]2CNC[C@@H]21 686539195 PBEJDNXALFRTOZ-WCQYABFASA-N 313.195 1.327 10 10 DDCE C[C@@](F)(CNS(=O)(=O)Cc1ccc(N)cc1)C(F)(F)F 2191861799 GZLYZFANFBEVNC-SNVBAGLBSA-N 314.304 1.979 10 10 DDCE C[C@]1(O)CCN(c2ccc(CO)c(Br)c2)C[C@H]1O 2077306755 XWYVMFYQSYNSKE-OLZOCXBDSA-N 316.195 1.263 10 10 DDCE CSc1ncc(CNC(=O)CNC2CCOCC2)s1 2272576886 WZQLGJSDEIFWIA-UHFFFAOYSA-N 301.437 1.250 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](C(=O)O)C2CCC2)s1 2284545268 XQVKMDQNXIBEAW-VIFPVBQESA-N 315.420 1.918 10 10 DDCE COc1cc(OC)c(N2C[C@@H](CO)OC[C@@H]2C)cc1Cl 2285919704 LUYUPHFMDYXFAZ-UWVGGRQHSA-N 301.770 1.943 10 10 DDCE Cc1ccc(CN2C[C@H](O)[C@@H](O)C2)c(O)c1Br 2307564808 DPTXDRCUWBKOHV-UWVGGRQHSA-N 302.168 1.001 10 10 DDCE CCCn1c(SCC(=O)c2ccc(O)c(O)c2)n[nH]c1=O 7529234 ZMYOIXWJBXJMPO-UHFFFAOYSA-N 309.347 1.368 10 10 DDCE CN(C)c1ccc(CNC(=O)COC[C@@H]2CCOC2)cc1F 117635423 WTNIESJFDCTHRN-CYBMUJFWSA-N 310.369 1.561 10 10 DDCE CCN([C@@H](C)COC)S(=O)(=O)CCOc1ccc(N)cc1 70490701 DYGYBAOYOHAWQL-LBPRGKRZSA-N 316.423 1.334 10 10 DDCE CN(CCCO)c1cc2c(cc1Br)[C@H](N)C(=O)N2 302344497 FHXVIXXZCQKLSR-NSHDSACASA-N 314.183 1.220 10 10 DDCE CCN(CC)c1ccc(CN2CCN(CC(N)=O)CC2)cc1F 179833696 BAFLJOGBURJNCT-UHFFFAOYSA-N 322.428 1.275 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 40330356 YVGLMZFHEXTSIZ-GJZGRUSLSA-N 310.419 1.742 10 10 DDCE C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1)c1cccs1 40460076 OCGUTKPPAJYIAU-KOLCDFICSA-N 306.387 1.907 10 10 DDCE O=C1CC[C@H](NCc2cccc(Br)c2O)C(=O)N1 89752777 ZSYZQJGQRYBIQU-VIFPVBQESA-N 313.151 1.050 10 10 DDCE COC(=O)[C@H](N)c1ccc(I)cc1O 95770502 UJOXDBSDDWVRFP-MRVPVSSYSA-N 307.087 1.170 10 10 DDCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1COC(=O)N1 294383083 IGTVHMCMNTZFTA-CQSZACIVSA-N 305.378 1.598 10 10 DDCE CNC(=O)[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 293505775 BULFTALQAPDUKV-LBPRGKRZSA-N 302.733 1.132 10 10 DDCE CC[C@H](CS(=O)(=O)Nc1ccc(O)cc1COC)OC 817353189 QEHSESXPOOWOAJ-GFCCVEGCSA-N 303.380 1.705 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCC(=O)N1CCCCC1 588406713 MMBILWMOWCYYJI-ALCCZGGFSA-N 304.346 1.240 10 10 DDCE COC(=O)c1cc(OC[C@@H]2CCC3(COC3)O2)ccc1N(C)C 918652453 XJBYPGNEKIDWRU-ZDUSSCGKSA-N 321.373 1.866 10 10 DDCE CN1CCN(c2ccc(CNCCc3cn(C)cn3)cc2)CC1 839146929 ALJTWTCBZHZQJZ-UHFFFAOYSA-N 313.449 1.504 10 10 DDCE COCCCOc1cccc(C(=O)OCC(=O)C(C)=O)c1C 923867378 RCWCQWRYSSKWGS-UHFFFAOYSA-N 308.330 1.725 10 10 DDCE Nc1ccc(NC(=O)C(=O)N[C@H](C2CCC2)[C@@H]2CCOC2)cc1 868300303 GUHHYFYFUHVUGU-IUODEOHRSA-N 317.389 1.529 10 10 DDCE CCN(CC)c1ccc(CNC(=O)N2CC(=O)N(C)C2)cc1F 765264951 HAIWBNWTVRIZIE-UHFFFAOYSA-N 322.384 1.613 10 10 DDCE C[C@H](NC(=O)N[C@H](C)CO[C@@H]1CCOC1)c1ccccc1O 868383318 FMEWEKOIVQSXSW-FRRDWIJNSA-N 308.378 1.946 10 10 DDCE Cc1cc(O)cc(=O)n1CC(=O)N1Cc2cccc(O)c2C1 871204336 YIITTYIBFHPQQE-UHFFFAOYSA-N 300.314 1.110 10 10 DDCE COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(OC)ccc1O 895864191 PCFMDGLZGAMXOX-UONOGXRCSA-N 309.362 1.601 10 10 DDCE Cn1cc([C@@H](O)C(=O)NCc2ccc3cccnc3c2O)cn1 1162612872 RLYKCWUQERIJDT-OAHLLOKOSA-N 312.329 1.024 10 10 DDCE Nc1nnc(CC(=O)NCc2ccc3cccnc3c2O)s1 1162613028 VNKULBVUSUSDET-UHFFFAOYSA-N 315.358 1.233 10 10 DDCE CS(=O)(=O)[C@H]1CCC[C@H](NCc2cc(F)ccc2O)C1 1963496945 OGMSHCFOYWAUPL-STQMWFEESA-N 301.383 1.977 10 10 DDCE Cc1cc(-n2cncn2)ccc1C(=O)NCc1c(O)cccc1O 1178911226 KTWLUTFEQTUOSF-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@H]1COc2ccccc2O1 1176747920 FLRVCJJGYOKWNT-HNNXBMFYSA-N 301.298 1.554 10 10 DDCE CN1CCN(c2ccc(CN)cc2Br)CCC1=O 688931491 WGFMEBZTKJZLSH-UHFFFAOYSA-N 312.211 1.576 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC1[C@H]2CC3C[C@H]1CN(C3)C2 1347704166 JWIFWOFNVPFNGX-PTHNMACSSA-N 314.385 1.567 10 10 DDCE C[C@H](O)CNC[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1270604565 RSJURTGHEQCURY-QWRGUYRKSA-N 321.381 1.185 10 10 DDCE COc1ccc(CC(=O)NCc2ccc(O)c(O)c2)cc1O 1545639247 HOXGMPRKOJZCGW-UHFFFAOYSA-N 303.314 1.671 10 10 DDCE O=C(NCc1nc(-c2ccccn2)n[nH]1)c1cc(O)cs1 1627588769 YHAMWUDGWCIHBX-UHFFFAOYSA-N 301.331 1.564 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 1624479410 CCNJIBXDQKPNKE-KGLIPLIRSA-N 303.406 1.613 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)C2(C)CC2)cc1C 1716088018 TWUIZTPJGUYSEM-AWEZNQCLSA-N 306.406 1.370 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)[C@H](O)CC(=O)OCC 1556367132 URCKIDKQTYCFHN-OAHLLOKOSA-N 323.389 1.835 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cccc(O)c2O)CO1 1602827726 WWGFNWXCMPDFNX-SECBINFHSA-N 324.333 1.379 10 10 DDCE CC/C=C(\C)C(=O)NC[C@H](O)CNCc1ccc(OC)c(C)c1 1732634505 MSYYKNBMZBJMML-MSXUNZPYSA-N 320.433 1.927 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccccc1-n1cnnn1 1643879268 IYPKLDIPNBGUEI-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE CC(=O)NN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S 5226378 DSEWIRFQULBQMC-UXBLZVDNSA-N 323.355 1.847 10 10 DDCE CS(=O)(=O)[C@@H]1CCC[C@H](NCc2ccc(F)cc2O)C1 1964575678 ISYHAZLBSAAVPF-QWHCGFSZSA-N 301.383 1.977 10 10 DDCE NN1C(=O)/C(=C/c2ccccc2OCC(=O)O)SC1=S 16905035 PQWLNGUHSNMJAS-UITAMQMPSA-N 310.356 1.225 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cc(C(N)=O)cn2C)cc1 151496046 FXRPHIFIDMCDEK-UHFFFAOYSA-N 300.362 1.120 10 10 DDCE CN(C)c1cccc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 1874061130 WDJUUHVWVWUJBA-UHFFFAOYSA-N 324.340 1.535 10 10 DDCE CC(C)(C)[S@@](C)(=O)=NC[C@H](O)COc1ccc(N)cc1 1913860172 BECZPAPAFQIXFX-FKIZINRSSA-N 300.424 1.905 10 10 DDCE CC(C)(C)OC(=O)NCCCNC(=O)Cc1ccc(N)cc1 230012704 QARYLJOZMFCRPS-UHFFFAOYSA-N 307.394 1.842 10 10 DDCE NCc1ccc(N2C[C@H](F)[C@H](O)C2)c(F)c1Br 1944242249 NJCYVYMWQBYHII-IONNQARKSA-N 307.138 1.566 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@H](N)CF 1952616901 XDSDILKOWPVZKB-MNOVXSKESA-N 314.357 1.830 10 10 DDCE CN[C@](CSc1nccs1)(C(=O)O)C1CCOCC1 2143049413 IQCJYDDYLYSPJP-LBPRGKRZSA-N 302.421 1.705 10 10 DDCE NC(=O)NCCCNCc1c(O)cccc1Br 2002543553 UUFNGWQXTLPNEK-UHFFFAOYSA-N 302.172 1.303 10 10 DDCE O=C1NCCCN(c2ccc(CO)cc2Cl)CC1(F)F 2152790596 PMAWTWLSDLVYAQ-UHFFFAOYSA-N 304.724 1.794 10 10 DDCE COc1cc(Cl)cc(CN[C@@H](C)CCS(C)(=O)=O)c1O 2160842400 YZURDANYKMNJNM-VIFPVBQESA-N 321.826 1.967 10 10 DDCE COC(=O)CCCS(=O)(=O)Nc1ccc(O)cc1Cl 85205124 XKZDCEMDOQLQRT-UHFFFAOYSA-N 307.755 1.741 10 10 DDCE COc1ccc(N(C)[C@](C)(CN)[C@H](C)S(C)(=O)=O)cc1 2170647942 HSFQBBOJXZYMBQ-SMDDNHRTSA-N 300.424 1.282 10 10 DDCE CN1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1C(=O)O 686106906 SVUWOPKHNXUWCD-NSHDSACASA-N 319.188 1.900 10 10 DDCE CNCc1ccc(N2C[C@H](O)C[C@@H]2CO)cc1Br 698176271 UMGIJEFGNDTVFL-VXGBXAGGSA-N 315.211 1.100 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(O)c(O)c2)CO1 722502191 JTGAYKWFKMDIPX-LLVKDONJSA-N 310.350 1.738 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC(c4ccccn4)C3)c2n1 2063387196 ITCSTNADVLYBDV-UHFFFAOYSA-N 309.329 1.378 10 10 DDCE NC(=O)[C@@H]1CCN1c1ccc(CNC2CC2)cc1Br 2089357533 AHNGVSOFIYNTNY-ZDUSSCGKSA-N 324.222 1.765 10 10 DDCE O=S1(=O)C[C@@H]2[C@@H](CCN2Cc2cccc(Cl)c2O)C1 2094883530 WNMPEZFKBCZSMF-CMPLNLGQSA-N 301.795 1.665 10 10 DDCE NCc1ccc(N2C[C@@H](F)C[C@@H](O)C2)c(Br)c1 2213892479 RBZDHRCKKXUMDV-VHSXEESVSA-N 303.175 1.817 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@H]2C[C@@H](CO)C2)s1 2256971107 YKJXRZISNIAMRV-OTSSQURYSA-N 308.450 1.055 10 10 DDCE CC(F)(F)CC[S@](=O)C[C@H](O)COc1ccc(N)cc1 2283692529 BITOGAZILOHNMF-GIPWTMENSA-N 307.362 1.803 10 10 DDCE CCOc1c(C=C2C(=O)NC(=O)N(C)C2=O)cccc1OC 2313548396 VARPNGUFPSHNOJ-UHFFFAOYSA-N 304.302 1.186 10 10 DDCE Cc1ccc(CNC(=O)OCCO)c(O)c1Br 2307454897 MABLPQPKCRMGKZ-UHFFFAOYSA-N 304.140 1.682 10 10 DDCE Cc1ccc(CN(CCN)CCO)c(O)c1Br 2307481390 DMZRZPLYHLCIOK-UHFFFAOYSA-N 303.200 1.216 10 10 DDCE CN(C)c1ccc(CNC(=O)C2CCN(C(N)=O)CC2)cc1F 58975158 VGXUCBYBYZKRCK-UHFFFAOYSA-N 322.384 1.299 10 10 DDCE COc1cccc(Cl)c1C=C1C(=O)N(C)C(=O)N(C)C1=O 118169858 YEGWJMPZLCKOET-UHFFFAOYSA-N 308.721 1.782 10 10 DDCE CCCN(c1ccc(N)cc1)S(=O)(=O)CCCC(=O)OC 63115447 KRJNTDKMFMQWJN-UHFFFAOYSA-N 314.407 1.768 10 10 DDCE CO[C@H]1C=C[C@](CNCc2nnc(-c3ccccc3)o2)(OC)O1 39891574 RRYSQPQQDSEURR-ZBFHGGJFSA-N 317.345 1.728 10 10 DDCE CCN(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 128448400 AEFCPZVCLTWNQD-UHFFFAOYSA-N 309.385 1.230 10 10 DDCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](CO)O1 191520165 LBFCCBVSKBPPAF-RHSMWYFYSA-N 306.406 1.105 10 10 DDCE COc1ccc([C@H](NCCN=[N+]=[N-])C(N)=O)c(Cl)c1OC 90257774 SVUWNVCBSCKYNW-JTQLQIEISA-N 313.745 1.784 10 10 DDCE CNC(=O)NC[C@@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1 530101718 CQISREFWQJHWIP-OAHLLOKOSA-N 319.405 1.011 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 272429115 GFYSBIZDFAWHRX-YJLKIPLNSA-N 320.345 1.988 10 10 DDCE C[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1cc([N+](=O)[O-])ccc1O 818360777 CFJRTTWUMUCGDC-KWQFWETISA-N 307.306 1.098 10 10 DDCE CN(C)c1ccc(Cn2cc(CN3CCC(N)CC3)nn2)cc1 905799042 VCXGLVARTXHHGI-UHFFFAOYSA-N 314.437 1.316 10 10 DDCE CO[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H]1CCOC1 832436155 HLTLOVHASQBVPQ-INWMFGNUSA-N 306.406 1.981 10 10 DDCE CCS(=O)(=O)c1ccccc1C(=O)N1C[C@@H]2C[C@H]1CS2 839452536 BFPHDIUCMCJDOE-QWRGUYRKSA-N 311.428 1.810 10 10 DDCE COC[C@H]1C(=O)N[C@@H](c2cc(Cl)cc(Cl)c2O)N1C 840829424 QUSDGCKSJSAWKP-GXSJLCMTSA-N 305.161 1.774 10 10 DDCE COc1ccc(N2CCCN(C(=O)N[C@@H](C)[C@@H](C)N)CC2)cc1 842005639 OFONANINIKMMQW-KGLIPLIRSA-N 320.437 1.653 10 10 DDCE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)Nc1ccc(N)cc1 841295998 MGQANLBPTNBKJC-UONOGXRCSA-N 321.377 1.843 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCCN3)C2)cc1 852900769 RLTMTEBGHJKBQF-CZUORRHYSA-N 303.406 1.532 10 10 DDCE OCCO[C@]1(CNCc2c(O)cccc2Cl)CCOC1 850358719 VGBIKWYCSBKAMU-AWEZNQCLSA-N 301.770 1.303 10 10 DDCE C[C@H](NC(=O)c1ccc2c(c1)B(O)OC2)c1ccc(N(C)C)cc1 863878493 GTSSAJMUUSWNKY-LBPRGKRZSA-N 324.189 1.461 10 10 DDCE CCOC(=O)CC[C@H](C)NC(=O)NCc1cc(OC)ccc1O 760831473 DZIRKKUOTWVTEF-NSHDSACASA-N 324.377 1.932 10 10 DDCE COC(=O)c1cc(OCC[C@@H]2CCOC2=O)ccc1N(C)C 865395925 FNSQSYYQWMOTRA-LLVKDONJSA-N 307.346 1.871 10 10 DDCE CNCCOCCNC(=O)N(C)Cc1ccc(N(C)C)cc1 861676552 GOBWZHDQBMQPRI-UHFFFAOYSA-N 308.426 1.130 10 10 DDCE CCN1CCOC[C@H]1C(=O)NCc1ccc2cccnc2c1O 862027064 IJHWMFXSLMAVIP-AWEZNQCLSA-N 315.373 1.277 10 10 DDCE CCOc1cccc(CN(C)C[C@@H]2CCS(=O)(=O)C2)c1O 769468528 KATSEGBJMUNNMT-LBPRGKRZSA-N 313.419 1.657 10 10 DDCE COC(=O)CCN1CCC[C@@H](Sc2nccs2)C1=O 1118413082 VCYWUECBPPZHHN-SECBINFHSA-N 300.405 1.789 10 10 DDCE CCOC[C@@H](C(=O)OC)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 779527706 DKVIJCKPJFXJJI-WMADIVHISA-N 323.345 1.148 10 10 DDCE COc1ccc(CNS(=O)(=O)c2ccccc2N)c(O)c1 795357926 SMPBZNOPYHAWRP-UHFFFAOYSA-N 308.359 1.462 10 10 DDCE CC(=O)C(=O)[C@]1(O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 1961762573 MWMIQIWBYDQOMZ-XZJROXQQSA-N 311.378 1.543 10 10 DDCE C[C@](O)(C(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 1162284966 ITPDISAKADCCFY-MRXNPFEDSA-N 305.305 1.761 10 10 DDCE O=C(O)[C@@H]1C[C@@H]1CNCc1cc(Br)ccc1O 715230800 OOOPGBSPDRZVKP-GMSGAONNSA-N 300.152 1.965 10 10 DDCE COC(=O)c1coc(CNC(=O)/C=C/c2ccc(O)c(O)c2)n1 1452775565 IUKIOSOBGGMFII-HWKANZROSA-N 318.285 1.202 10 10 DDCE CN1C[C@H]2[C@@H](NC(=O)N3Cc4cccc(O)c4C3)CC[C@H]2C1 1521372211 FDOOPUKTYLKWPB-GUTXKFCHSA-N 301.390 1.758 10 10 DDCE NC(=O)Nc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 1540628014 XKWHCFJFHLGEOJ-UHFFFAOYSA-N 315.329 1.447 10 10 DDCE CNC(=O)NCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1623550141 RPBFVQIJYDCHBU-UHFFFAOYSA-N 318.421 1.564 10 10 DDCE Cn1ncc2c1CCC[C@@H]2NC(=O)Cc1ccc(O)c(O)c1 1624192670 QXXNJCUEBGTDJJ-LBPRGKRZSA-N 301.346 1.568 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1cc2ncccn2n1 1630532723 PJBKKLCXGOVEJJ-UHFFFAOYSA-N 319.324 1.913 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1[nH]nc2nc(O)ccc12 1637993437 GOFGFEWZEDPING-GORDUTHDSA-N 312.285 1.727 10 10 DDCE C[C@H](NC(=O)c1cn(Cc2ccccn2)nn1)c1ccccc1O 1648892305 VESAIRHTHCTKMI-LBPRGKRZSA-N 323.356 1.918 10 10 DDCE CS(=O)(=O)C1(C(=O)NCc2c(O)ccc3ccccc23)CC1 1652709037 SQEZGTQQGVQVBZ-UHFFFAOYSA-N 319.382 1.739 10 10 DDCE CCOC(=O)c1c(C)nn2c(O)c(CCC(=O)O)c(C)nc12 105374623 YVNMKOSUKFVKMD-UHFFFAOYSA-N 307.306 1.246 10 10 DDCE O=S1(=O)C[C@H]2C[C@@H](CN(Cc3cc(Cl)ccc3O)C2)C1 1972375803 HUTVDWWVHZDGKS-QWRGUYRKSA-N 315.822 1.912 10 10 DDCE Cn1cc(Br)c([C@@H](O)[C@H](N)c2ccccc2O)n1 2032848885 OXVHDVMECLZOHS-PWSUYJOCSA-N 312.167 1.622 10 10 DDCE NCc1ccc(N2C[C@H]3[C@H](O)C[C@H]3C2)c(F)c1Br 2033970253 FFDKKKCVTKJESW-IQJOONFLSA-N 315.186 1.864 10 10 DDCE CO[C@@H]1COC[C@@H]1CNCc1ccc(Br)cc1O 2036616144 ZDSZNRMQIZMKFH-GXFFZTMASA-N 316.195 1.906 10 10 DDCE CN[C@H]1C(=O)Nc2cc(N(C)CC[S@@](C)=O)c(Cl)cc21 399012935 JOJSPKWAXUWJTG-MPBGBICISA-N 315.826 1.367 10 10 DDCE C[C@@H](CCNC(=O)c1cc(O)c(O)c(O)c1)P(C)(C)=O 2192497170 XLGCMIIHRATHDL-QMMMGPOBSA-N 301.279 1.935 10 10 DDCE S=C(NNc1nnnn1-c1ccccc1)Nc1ccccc1 12420676 IFWOSNIIZPEQPS-UHFFFAOYSA-N 311.374 1.976 10 10 DDCE CN[C@@H](C)c1ccc(N2CC(S(C)(=O)=O)C2)c(Cl)c1 2095965581 YSDCKPHNJXUJFT-VIFPVBQESA-N 302.827 1.854 10 10 DDCE NCc1ccc(N2CC3(CCC(=O)N3)C2)c(Br)c1 2222153079 TUDCGXWKLFRUNL-UHFFFAOYSA-N 310.195 1.377 10 10 DDCE COc1ccc(N2CC(S(=O)(=O)C(F)(F)F)C2)c(N)c1 2237655458 JWJKANACMQIQFH-UHFFFAOYSA-N 310.297 1.401 10 10 DDCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NS(=O)(=O)C1CC2(C1)OCCO2 2252845730 VKKKQYXFXYCAOT-NXEZZACHSA-N 302.356 1.043 10 10 DDCE O=C(O)CN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2293026444 AJOCFOTYYPUXLO-UHFFFAOYSA-N 324.339 1.881 10 10 DDCE CC[C@@H](O)CCNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2300212335 XRDIKSYMNYJJEO-QGZVFWFLSA-N 318.417 1.814 10 10 DDCE COc1cc(CNC(=O)C=Cc2ccc(O)c(O)c2)ccn1 2307981876 AQMKESKPIJCVGP-UHFFFAOYSA-N 300.314 1.831 10 10 DDCE Cn1cc([C@@H]2CCN(Cc3cc4c(cc3O)OCO4)C2)cn1 116259149 KVPBOMLSLBAOHT-LLVKDONJSA-N 301.346 1.844 10 10 DDCE CCC[C@H]1SC[C@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 111422891 GVVKQTCJALVNRT-LDYMZIIASA-N 312.347 1.261 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCc2[nH]ncc21 122785404 DUCVBAJNPMKMPE-NSHDSACASA-N 301.346 1.600 10 10 DDCE COc1ccc(O)c(CNCc2cc(C)nc(N(C)C)n2)c1 188736406 PFYVOFOFFYPHSX-UHFFFAOYSA-N 302.378 1.855 10 10 DDCE CCOC(=O)c1nnn(CCCOc2ccc(N)cc2)c1N 62430708 SARJIZDPLFUAOA-UHFFFAOYSA-N 305.338 1.088 10 10 DDCE COCCN(CCO)c1ccc([C@@H](C)N)c(Br)c1 234620709 LNDBUASUQDCVHQ-SNVBAGLBSA-N 317.227 1.914 10 10 DDCE COc1cc(O)c(CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)cc1OC 249464626 GTSGLFRVCCCKBK-XXDCVPHKSA-N 305.374 1.611 10 10 DDCE C[C@@H]1CN(Cc2cccc(Br)c2O)CC(=O)N1C 800538160 LHSOQLRCRGBHES-SECBINFHSA-N 313.195 1.817 10 10 DDCE CCOc1ccc(O)c(CN[C@H]2CCCN(CCCO)C2)c1 295035177 DMKQDNDJCSWVFM-HNNXBMFYSA-N 308.422 1.727 10 10 DDCE CN1CCC([C@H]2C[C@@H]2CNC(=O)c2cc(O)nc(O)c2)CC1 585512435 KGIHKOMPUVKGTP-CHWSQXEVSA-N 305.378 1.201 10 10 DDCE Cn1cc(CCC(=O)NCc2c(O)ccc3c2CCCC3)nn1 830559281 LMJJZSFIBBDCFY-UHFFFAOYSA-N 314.389 1.649 10 10 DDCE C[C@@H](O)[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 840977431 KRDUPLMANDIJMY-RHSMWYFYSA-N 306.406 1.105 10 10 DDCE CCN1C[C@@H](CSc2ncc(C(=O)OC)s2)OC1=O 848439639 TUFFURIVLGVBLU-ZETCQYMHSA-N 302.377 1.863 10 10 DDCE Cc1cc(CC(=O)NCc2nnnn2C)c(C)n1-c1ccccc1 857185122 RMQDJOJJBSBAQD-UHFFFAOYSA-N 324.388 1.477 10 10 DDCE CN(C)c1ccc(CN[C@H]2CCc3nnn(C)c3C2)cc1F 922995216 KMZHIXDPZQFKGJ-LBPRGKRZSA-N 303.385 1.667 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@](C)(O)C3CC3)C2)cc1 855225354 KJDRVADSFVZMGU-DYVFJYSZSA-N 304.390 1.551 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)[C@]1(O)CCSC1 862027539 WDLKHQLTQYRXBP-HNNXBMFYSA-N 304.371 1.425 10 10 DDCE CCOc1ccc(CN2CC[C@@](OC)(C(=O)OC)C2)c(O)c1 862473594 BHVPMXXZMMJCAX-INIZCTEOSA-N 309.362 1.555 10 10 DDCE Cc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)nn1 866418686 QKZFSVFNLQLFKW-UHFFFAOYSA-N 320.418 1.672 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](O)c1cccc(Br)c1 885430516 KEFUTHPHOVGQHR-NSHDSACASA-N 315.119 1.184 10 10 DDCE CCN(C[C@@H](O)C(F)(F)F)C(=O)Cc1ccc(O)c(O)c1 1138535527 KXXBSSALUYGUKR-LLVKDONJSA-N 307.268 1.412 10 10 DDCE COc1ccc(CNS(=O)(=O)N2CCC[C@H]2C)c(O)c1 795362715 QCIIOOKRTBGKHO-SNVBAGLBSA-N 300.380 1.220 10 10 DDCE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCN=[N+]=[N-] 1885562861 LTLMRGLOPSIMAB-BDAKNGLRSA-N 301.347 1.029 10 10 DDCE CCN1CCN(c2ccc(CNCC(=O)O)cc2OC)CC1 212660550 GDGFZLVXPZCEJB-UHFFFAOYSA-N 307.394 1.011 10 10 DDCE Cc1cn2nc(C(=O)N[C@H](C)c3ccccc3O)cc2c(=O)[nH]1 1635798892 GXABCDNKLJJJFK-SNVBAGLBSA-N 312.329 1.528 10 10 DDCE Oc1cc(Br)ccc1CN[C@H]1CCn2nnnc2C1 1875666463 KHUTXVROCHBWTE-JTQLQIEISA-N 324.182 1.246 10 10 DDCE CCS(=O)(=O)[C@H]1CCN(c2ccc(CN)cc2Cl)C1 2123318728 BRMKUDSWKMLTIE-NSHDSACASA-N 302.827 1.812 10 10 DDCE C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccccc1O 1642831398 ZLWHZWLKQJWSBI-QMMMGPOBSA-N 302.290 1.769 10 10 DDCE CCC[C@H](C(=O)NCc1cccc(Cl)c1O)S(N)(=O)=O 1640405282 PMLJVFKGUURYEV-SNVBAGLBSA-N 320.798 1.119 10 10 DDCE CCNC(=O)CC(=O)Nc1c(-c2ccccn2)nc2ccccn12 1570016852 DCGCHHRWNBWHMJ-UHFFFAOYSA-N 323.356 1.861 10 10 DDCE COC[C@H]1COCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1645167394 DMOYKRORIAZOPW-LBPRGKRZSA-N 306.322 1.336 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc2oc(O)nc2c1 1593873610 UCFMKXJXRAUXLC-UHFFFAOYSA-N 300.270 1.875 10 10 DDCE CCO[C@H]1C[C@@H]1C(=O)N(C)CCNCc1ccc(OC)c(C)c1 1691267870 SECOJIPANIDMEF-RDJZCZTQSA-N 320.433 1.977 10 10 DDCE CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc(O)nc(O)c1 1915116050 QBMMGXUIYQXVEH-CQSZACIVSA-N 316.357 1.906 10 10 DDCE CNC(=O)[C@@H](C)N(C)Cc1cccc(Br)c1O 1916790280 MUMBELDMRRZVAX-MRVPVSSYSA-N 301.184 1.721 10 10 DDCE CC(=O)C(=O)[C@@H](Cc1cccc(O)c1)NC(=O)OC(C)(C)C 1951752992 DPJJLJQLFPUNTI-CYBMUJFWSA-N 307.346 1.986 10 10 DDCE CN(C[C@@H](N)C(=O)O)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977839575 LJENTGUDPVNIMP-CYBMUJFWSA-N 323.393 1.559 10 10 DDCE C[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1CN(C(=O)OC(C)(C)C)C1 1980376296 FURRKSZPWLTOGH-GVXVVHGQSA-N 324.421 1.755 10 10 DDCE NCc1ccc(N2CCC[C@@]23CCS(=O)(=O)C3)c(Cl)c1 2158463533 YPWINSWLSYQANH-AWEZNQCLSA-N 314.838 1.956 10 10 DDCE C[C@H]1CN(c2ccc(CN)c(F)c2F)C[C@@H](C)S1(=O)=O 400849279 PGCQQWPJRBCDFI-DTORHVGOSA-N 304.362 1.435 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)c1ccc([C@H](C)N)c(O)c1 2170559352 DZFWIUZSBIRFDE-MNOVXSKESA-N 300.424 1.671 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)[C@H](C)c1c(O)cccc1O 2170516372 QFHRVRBSQJWSNC-GHMZBOCLSA-N 301.408 1.914 10 10 DDCE Nc1ccc(CS(=O)(=O)NCCn2cc(Cl)cn2)cc1 380450928 FALFQNTWGBYMBY-UHFFFAOYSA-N 314.798 1.238 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)Cc1cccc(Cl)c1O 697037331 OWSDJADWOZQUGS-NEPJUHHUSA-N 319.810 1.289 10 10 DDCE COc1ccc([C@H](C)n2ncc(C(=O)N(C)C)c2O)c(O)c1 2070584097 UYDNNMPOLUIEIF-VIFPVBQESA-N 305.334 1.614 10 10 DDCE NCc1ccc2c(c1)CCN2CCS(=O)(=O)C(F)(F)F 2189919754 KMAOGUVIKNWCBL-UHFFFAOYSA-N 308.325 1.442 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2COC(C)(C)[C@@H]2O)c1O 2199468447 WWLJCEDEABNUQI-GXFFZTMASA-N 301.770 1.682 10 10 DDCE CC1(C2CCN(C(=O)c3ccc(O)c(O)c3)CC2)OCCO1 2089601852 UONSURQFLHDQGG-UHFFFAOYSA-N 307.346 1.713 10 10 DDCE CN(C[C@@H]1CCS(=O)(=O)C1)c1ccc(CO)c(Cl)c1 2092344588 ADJRIAXREHBQDC-JTQLQIEISA-N 303.811 1.703 10 10 DDCE CCCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2234177216 QXOZECOCPBQBBX-BBBLOLIVSA-N 303.388 1.052 10 10 DDCE CCOC(=O)c1cnc(S[C@@H](C)C(=O)NCC(=O)O)s1 2239622128 JDXZAAIRBOGQOZ-LURJTMIESA-N 318.376 1.001 10 10 DDCE CN(Cc1cc(Br)cc(F)c1O)CC1(O)CNC1 2259133550 UGFPOQKGESVCHC-UHFFFAOYSA-N 319.174 1.060 10 10 DDCE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1CCO 2293343954 AWJGAQAMABQWOR-UHFFFAOYSA-N 309.368 1.609 10 10 DDCE COc1ccc(CNc2nn(C)nc2Br)c(O)c1 2320058101 GFFICLDPLUGFNV-UHFFFAOYSA-N 313.155 1.904 10 10 DDCE CCCn1cc(S(=O)(=O)NCc2ccc(N)cc2)nc1C 50265331 GVGYMEBZGGVEEW-UHFFFAOYSA-N 308.407 1.662 10 10 DDCE NC(=O)CN(CCOCc1ccccc1)Cc1ccc(N)cc1 304557038 GHMQINSYYORIEO-UHFFFAOYSA-N 313.401 1.773 10 10 DDCE NC[C@H](N)c1cc([N+](=O)[O-])c(Br)c(Cl)c1O 309261904 VTZBRHSCXMCQRF-BYPYZUCNSA-N 310.535 1.675 10 10 DDCE CCN(Cc1ccc(N)cc1)S(=O)(=O)c1c(C)n[nH]c1C 35361255 VSZPUFODFSAEHD-UHFFFAOYSA-N 308.407 1.820 10 10 DDCE CC(C)CN(CCN(C)C)S(=O)(=O)Cc1ccc(N)cc1 40336017 NDYYSPXDPUUAKK-UHFFFAOYSA-N 313.467 1.618 10 10 DDCE COc1cccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)c1O 91479361 OEAHFSZWNFICIV-UHFFFAOYSA-N 315.289 1.964 10 10 DDCE C[C@]1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCO1 267931899 FHPGFDSEIPIFMI-QGZVFWFLSA-N 322.380 1.848 10 10 DDCE C[C@@H](CO)[C@@H](C)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 273951245 FHWPXLFPKDQAJI-UONOGXRCSA-N 307.438 1.318 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CCC(O)CC3)C2)cc1 854301554 BSBBSSUAXZTIQZ-ZDUSSCGKSA-N 319.405 1.440 10 10 DDCE COC(=O)CCNC(=O)CCN[C@H](C)c1ccc(C)c(C)c1O 858541468 KXXWINMJQCSTQW-CYBMUJFWSA-N 322.405 1.729 10 10 DDCE C[C@H](COC(=O)/C=C\c1ccc(O)c(O)c1)CS(C)(=O)=O 759590452 WYOUNVRJNMUTHX-AYYIZTPMSA-N 314.359 1.335 10 10 DDCE COC(=O)CCCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 857302082 FYKRBGXIAKOZPP-ZDUSSCGKSA-N 320.389 1.733 10 10 DDCE C[C@H](NC(=O)N[C@@H](CCF)C(=O)O)c1ccc(N(C)C)cc1 929046448 UWQUWOBYCUBDGC-GWCFXTLKSA-N 311.357 1.926 10 10 DDCE COC[C@H](CCCN)N[C@H]1CCN(c2ccc(OC)cc2)C1 854217089 ISIXFBFDBYXVOR-GJZGRUSLSA-N 307.438 1.617 10 10 DDCE CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773027508 WRJWOWAPSBECPB-XHDPSFHLSA-N 321.446 1.851 10 10 DDCE COc1nn(C)cc1NC(=O)NCc1ccc(N(C)C)c(F)c1 789320923 OLTKZVIEELAHRS-UHFFFAOYSA-N 321.356 1.956 10 10 DDCE COC(=O)[C@@]1(O)CCN(Cc2cc(Cl)cc(OC)c2O)C1 895702927 HEVHASAPSXTCOE-CQSZACIVSA-N 315.753 1.164 10 10 DDCE Cc1ccc(C(=O)NCC(N)=O)cc1-n1c(C)cc(C=O)c1C 1136153986 CUUCDLZGRABUBH-UHFFFAOYSA-N 313.357 1.430 10 10 DDCE CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(OC)cc2O)n1 794381124 LHUBQNBLAKABEU-UHFFFAOYSA-N 320.305 1.455 10 10 DDCE OCCCOCCNCc1cc(Br)cc(F)c1O 1338188465 YXBRFCGYKDTIIM-UHFFFAOYSA-N 322.174 1.782 10 10 DDCE COc1cccc(C[C@H](O)C(=O)NCc2ccc(O)cc2O)c1 1162278483 IVDWOAHBJZPDLU-INIZCTEOSA-N 317.341 1.326 10 10 DDCE Cn1nc(-c2ccncc2)cc1C(=O)NCc1c(O)cccc1O 1178916944 FGSWQXPCSPEJIE-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE C[C@@H](N)c1ccc(N(C)C2CC(S(C)(=O)=O)C2)c(F)c1 716103207 SZWBVEQIFFHNKX-OIKLOGQESA-N 300.399 1.857 10 10 DDCE CCN(C[C@H]1CCOC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1348585147 LVRLQKINUFXYDA-GFCCVEGCSA-N 318.373 1.119 10 10 DDCE CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 1540512890 OUQIDHCRIPMYOQ-UHFFFAOYSA-N 319.365 1.836 10 10 DDCE COC(=O)c1ncoc1CCC(=O)NCc1ccc(O)cc1O 1626850444 VUACEBRJXGREJF-UHFFFAOYSA-N 320.301 1.121 10 10 DDCE C/C=C(/C)C(=O)NC[C@H](O)CNCc1ccc(OC)c(C)c1 1482717826 CNDQNLLVUNOOKR-HYMFSAHRSA-N 306.406 1.537 10 10 DDCE COCCCN[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1714308273 DICSUEKMPVZEFS-NSHDSACASA-N 321.381 1.593 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@@H]1[C@@H]1CCCO1 1640422451 SYNNUGMAGAQDHB-DOMZBBRYSA-N 307.346 1.047 10 10 DDCE C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[S@@](=O)C1 1650943886 OLAQNZCMCDTCLD-FFVOIRBGSA-N 301.339 1.078 10 10 DDCE COCCNCc1ccc(N2CCOC[C@H]2CO)c(Cl)c1 168328338 PBVQQDQIAHNNOL-CYBMUJFWSA-N 314.813 1.274 10 10 DDCE Cc1ccc(CNC(=O)c2nnn(-c3ccc(N)cc3)n2)cc1 1857879104 UXZZRLRZOGBKBZ-UHFFFAOYSA-N 308.345 1.483 10 10 DDCE NCc1ccc(N2Cc3ncnc(O)c3C2)c(Br)c1 2141181563 RSZNVVDBWDNZAB-UHFFFAOYSA-N 321.178 1.924 10 10 DDCE NC(=O)NC1CC(NCc2ccc(Br)cc2O)C1 1967844989 JEBDHIHXJLPMOZ-UHFFFAOYSA-N 314.183 1.444 10 10 DDCE CC[C@@H](NCCN(C)S(=O)(=O)CC)c1ccccc1O 1926359901 UHNUIMNGBKANSO-CYBMUJFWSA-N 300.424 1.714 10 10 DDCE CC(C)(C)OC(=O)Nc1ncc(C(=O)C(=O)C[C@H]2C[C@H](N)C2)o1 1981495191 XRUWLEIKOIYKJY-KYZUINATSA-N 323.349 1.901 10 10 DDCE C[C@H]1CN(c2ccc([C@@H](C)N)cc2F)C[C@@H](C)S1(=O)=O 400849131 PCQOOFMISMTESH-OUAUKWLOSA-N 300.399 1.857 10 10 DDCE CCN[C@H](c1ccccc1O)[C@@](C)(O)CS(=O)(=O)CC 2170492894 GYSHSQZMOKSJDR-KGLIPLIRSA-N 301.408 1.229 10 10 DDCE COc1ccc(O)c(CN[C@@H](C)CS(=O)(=O)C(C)C)c1 2170586504 UXOIFQQIJAGJTM-NSHDSACASA-N 301.408 1.702 10 10 DDCE CS(=O)(=O)N1CCCN(c2ccc(CN)c(Cl)c2)CC1 705467825 YVPZVWJAKBAZSD-UHFFFAOYSA-N 317.842 1.270 10 10 DDCE CN(c1ccc(CN)cc1Br)[C@@H]1COC[C@@H]1O 709420327 JFBITLVWUANMJZ-NEPJUHHUSA-N 301.184 1.104 10 10 DDCE C[C@H](NCc1cc(Br)cc(F)c1O)[C@H](O)CO 715716558 GVTISRDTMIABGS-QUBYGPBYSA-N 308.147 1.125 10 10 DDCE CN(c1ccc(CO)cc1Cl)C1CC(S(C)(=O)=O)C1 716097000 TZWHBLRWLYTUEX-UHFFFAOYSA-N 303.811 1.844 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCC(F)(F)[C@@H]1O 2064217316 SMDZNFFGDBYMRI-TVQRCGJNSA-N 301.289 1.305 10 10 DDCE Oc1ccnc(CNCc2cccc(Br)c2O)n1 2044805076 SUGXIUHKXAGLDI-UHFFFAOYSA-N 310.151 1.940 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H](O)[C@H](O)C2)c(Br)c1 2068367898 AHYWVRCTGSPSOH-BZHVJNSISA-N 315.211 1.401 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@@H](O)[C@H]2CF)cc1Cl 2205603612 WSZUMXBITBTIID-NGSVMEPUSA-N 302.777 1.500 10 10 DDCE CSc1ncc(CNC(=O)[C@]2(CN)CCCOC2)s1 2269097110 ANEKUVJMQPSACF-LBPRGKRZSA-N 301.437 1.237 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3COC[C@]3(CO)C2)cc1Cl 2234560439 WSBKAPSHQWZRPC-QMTHXVAHSA-N 300.761 1.383 10 10 DDCE CSc1ncc(CNC(=O)N2CC(C(N)=S)C2)s1 2257096868 MCRRZQPRZIJKGQ-UHFFFAOYSA-N 302.450 1.293 10 10 DDCE CSc1ncc(CNC(=O)[C@@]2(C)CC[C@H]2C(=O)O)s1 2269137468 JFQQRMKLCRUDOJ-UFBFGSQYSA-N 300.405 1.982 10 10 DDCE CN(Cc1nncs1)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 2281375645 IAPYHYNAPOYMLO-NSHDSACASA-N 309.782 1.780 10 10 DDCE COc1ncc(/C=C\C(=O)N2CCC(=O)Nc3ccccc32)cn1 492675003 HEHGGJMQCCLGHN-SREVYHEPSA-N 324.340 1.874 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C=Cc1cncc(O)c1 2309813766 URSUDDHEDZLJSX-LLVKDONJSA-N 314.341 1.959 10 10 DDCE Cc1ccc(CN2CC(=O)NC[C@@H]2C)c(O)c1Br 2327791784 FKXUJKFCBJDCNK-VIFPVBQESA-N 313.195 1.783 10 10 DDCE Cc1ccc(CN=c2[nH]ccn(C)c2=O)c(O)c1Br 2352940931 KBRUDBMARBJXDN-UHFFFAOYSA-N 324.178 1.591 10 10 DDCE CCN(CC)c1ccc(CNC(=O)CN(C)C(N)=O)cc1F 109023461 NTFXSQXMCOKSBE-UHFFFAOYSA-N 310.373 1.299 10 10 DDCE CCCNC(=O)[C@H]1COCCN1c1ccc(CN)cc1Cl 124410482 RVTOWGUUANDSQF-CQSZACIVSA-N 311.813 1.530 10 10 DDCE CCn1ncnc1CN1CCN(c2ccc(OC)cc2)CC1 193293872 DJNWVSJHOHIKSG-UHFFFAOYSA-N 301.394 1.629 10 10 DDCE COCCNCc1ccc(N(C)CCS(C)(=O)=O)c(C)c1 94299192 BTYPZRANGRGSJR-UHFFFAOYSA-N 314.451 1.212 10 10 DDCE C[C@H](O)CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1C 245706114 MLKONWFVADXDAF-VFQZCJPISA-N 320.389 1.025 10 10 DDCE COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc2c(cc1O)OCO2 276082248 BNBLQHHRIXARKA-XAGWURHQSA-N 319.357 1.894 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 808522663 CKBNTAWQWMYTOW-HNNXBMFYSA-N 313.350 1.335 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)Cn1ccnc1 819696217 PKVHNFVHVXGFHR-UHFFFAOYSA-N 317.345 1.181 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC[C@H](C(=O)O)C1 653304796 XHKSFDJMFPOXHH-NEPJUHHUSA-N 318.373 1.979 10 10 DDCE O=C1OCCN1C[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 824450879 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c1cc(N2CCOCC2)ccc1CN1CC[C@H](C2OCCO2)C1 931997713 BIKDJCRTNKGION-INIZCTEOSA-N 318.417 1.718 10 10 DDCE COC(=O)C(C)(C)N1CCN(Cc2cc(C)ccc2O)CC1 779192007 YMDXHEQDCGRMFX-UHFFFAOYSA-N 306.406 1.770 10 10 DDCE O=C1[C@H](NCc2cccc(Cl)c2O)CCN1C1CCOCC1 776229899 FOPVFSFGKWZSTO-CQSZACIVSA-N 324.808 1.915 10 10 DDCE O=C(CNCc1ccc(Br)cc1O)NC1CCC1 1963574670 JBYRIODLGKUOGA-UHFFFAOYSA-N 313.195 1.913 10 10 DDCE O=C(O)C[C@@H](NCc1cc([N+](=O)[O-])ccc1O)C1CCOCC1 1327678311 YWFNJNFBWAWKMR-CYBMUJFWSA-N 324.333 1.660 10 10 DDCE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cccc(O)c2O)C1 1963887640 HPTJOATZYGJBEU-PWSUYJOCSA-N 307.346 1.711 10 10 DDCE C[C@@H]1[C@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C 1332351004 BBTONAALCIMKAX-RHSMWYFYSA-N 320.456 1.760 10 10 DDCE CCO[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccccc2O)C1 1331068773 CDDMTZDBIFHLPU-JOCQHMNTSA-N 306.362 1.034 10 10 DDCE CC(=O)C(=O)[C@]1(O)CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1919248968 JBIGDIVRTURZKB-MKBNYLNASA-N 311.378 1.543 10 10 DDCE NC(=O)Nc1cccc(C(=O)NCc2c(O)cccc2O)c1 1472061435 PYUONIYNOORRPU-UHFFFAOYSA-N 301.302 1.518 10 10 DDCE Cc1nn(C)c2ncc(NC(=O)Cc3ccc(O)c(O)c3)cc12 1623878544 WQMOUUBMDZINHA-UHFFFAOYSA-N 312.329 1.869 10 10 DDCE C[C@@H](C(=O)NCc1ccc(O)cc1O)n1nnnc1C(C)(C)C 1557084504 BSRGGGHOJLLJCN-VIFPVBQESA-N 319.365 1.259 10 10 DDCE COC(=O)[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1569532561 OHANNDXTIFBMDS-NSHDSACASA-N 304.306 1.627 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCN2CCSC[C@H]12 1596067626 USXXUFBDPBWYEW-QWHCGFSZSA-N 322.430 1.336 10 10 DDCE CN(CC(=O)NCc1c(O)cccc1O)Cc1ccccc1 1597568232 CGJABPABVOUVPE-UHFFFAOYSA-N 300.358 1.846 10 10 DDCE C[C@H](N)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C 1865916250 RDMZXOZDJMVISJ-SMDDNHRTSA-N 301.394 1.039 10 10 DDCE O=C(c1cc(O)nc(O)c1)N(CCCO)Cc1ccccc1 1914648530 XUAAIFMTOQTKNL-UHFFFAOYSA-N 302.330 1.518 10 10 DDCE Nc1ccc(NC(=O)CN2CCC3(C2)CC2(C3)OCCO2)cc1 1917292921 CQFYABRYNKAFBF-UHFFFAOYSA-N 317.389 1.436 10 10 DDCE CC(C)(C)OC(=O)N1CC(O)(CNCc2ccc(N)cc2)C1 1918660371 NROHGUSJUZKSLA-UHFFFAOYSA-N 307.394 1.340 10 10 DDCE C[C@H](NC[C@H]1CCS(=O)(=O)N1C)c1ccc(F)cc1O 1967490822 RWQDYMHNUFHVCC-GXSJLCMTSA-N 302.371 1.216 10 10 DDCE C[C@@H](CC(N)=O)N(C)Cc1c(O)cccc1Br 1946083343 IFYJKPYDLYPPRO-QMMMGPOBSA-N 301.184 1.850 10 10 DDCE O=C1C(=Cc2ccc[nH]2)SC(=S)N1CCS(=O)(=O)O 1951309611 DZWIALGPEQCWGH-UHFFFAOYSA-N 318.401 1.104 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)cc1Cl 2145074104 RGXDYLFJGCQSLE-IMSIIYSGSA-N 314.838 1.983 10 10 DDCE COCCOC1CN(c2ccc(CO)cc2Br)C1 687934901 VAJHTTVSCVYQAB-UHFFFAOYSA-N 316.195 1.793 10 10 DDCE NCc1ccc(N2CCS[C@@H](CO)C2)cc1Br 720061206 ONILOBQDNMCXGE-LLVKDONJSA-N 317.252 1.822 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@H]([C@@H]4CCOC4)C3)c2n1 2063548977 RLWUNNBPCJYRBZ-VXGBXAGGSA-N 316.361 1.242 10 10 DDCE COC[C@]1(O)CCCN(c2cc(Cl)c(CN)cc2F)C1 2177390149 XIRRQETWGYPIMX-AWEZNQCLSA-N 302.777 1.916 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@H]1CCn2ncnc2C1 2064503283 OLALAXUGEHQGNZ-ZDUSSCGKSA-N 314.389 1.985 10 10 DDCE COC(=O)Cc1cc(O)n2nc(C3CCCC3)c(C(=O)O)c2n1 2080934504 OXKGIGPPCWYJDC-UHFFFAOYSA-N 319.317 1.506 10 10 DDCE C[C@@H](O)c1ccc(N2CCC2(CO)CO)cc1Br 2073921358 PKEJNIZUIPKYOD-SECBINFHSA-N 316.195 1.436 10 10 DDCE Oc1cccc(Br)c1CNC[C@H]1Cc2nncn2C1 2111446378 VCGHOLIETCATJY-SECBINFHSA-N 323.194 1.708 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)C2CC3(C2)OCCO3)C1 2263529236 VDHQDDXEXLJMMU-JTQLQIEISA-N 316.383 1.244 10 10 DDCE CCOc1ccccc1N1C(=O)NC(=O)C(=CNC2CC2)C1=O 2297059901 PLENWQRYEUJDDA-UHFFFAOYSA-N 315.329 1.304 10 10 DDCE O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H](C(=O)O)[C@H]1CC=C[C@H]21 4132648 CTXNQOWRJIPUOM-WSFZALMZSA-N 304.258 1.831 10 10 DDCE O=C1NC(=S)NC(=O)C1=Cc1ccc([N+](=O)[O-])cc1Cl 59392118 HENGDWWKZLXEPT-UHFFFAOYSA-N 311.706 1.163 10 10 DDCE CCOCCS(=O)(=O)Nc1ccnn1-c1ccc(N)cc1 63153521 OZLMVGRYJAJGGU-UHFFFAOYSA-N 310.379 1.233 10 10 DDCE COc1ccc(N2C[C@@H](OC)[C@@H](OC)[C@H]2CO)cc1Cl 2358656243 QEKMMSZMYZDBHL-BNOWGMLFSA-N 301.770 1.560 10 10 DDCE CN(C)c1ccc(CNC(=O)NCCCn2ccnn2)cc1 182402159 PZLKIZSWRRWGFT-UHFFFAOYSA-N 302.382 1.234 10 10 DDCE COC(=O)/C=C/c1ccc(N2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 78679714 UGEFCOGRFOUGSI-PZBABLGHSA-N 319.317 1.235 10 10 DDCE COc1ccc(N2CCN([C@@H]3CCCCNC3=O)CC2)cc1 192650598 AVQOBMHDKZXVNF-MRXNPFEDSA-N 303.406 1.486 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@H](S(=O)(=O)C(F)F)C2)cc1 2368803082 KFVPQBYDTCAYCC-CABZTGNLSA-N 305.346 1.956 10 10 DDCE N[C@@H](c1ccc(Br)c(F)c1O)C(F)(F)CO 95715870 JFYONYAZEZXFTL-QMMMGPOBSA-N 300.074 1.921 10 10 DDCE COC(=O)C[C@@H](N)c1ccc(I)cc1O 95782856 GVRBCGVEWWGQDA-MRVPVSSYSA-N 321.114 1.560 10 10 DDCE CN1CCCc2cc(CNC(=O)c3cccn(C)c3=O)ccc21 264144255 OUXUHOKMZJWZDO-UHFFFAOYSA-N 311.385 1.698 10 10 DDCE CCc1ccccc1N1C[C@H](C(=O)OCC(=O)C(C)=O)CC1=O 808493349 ATAXCBDGYNGRRC-CYBMUJFWSA-N 317.341 1.303 10 10 DDCE CC1(C)C[S@](=O)CCN1Cc1ccc(N2CCOCC2)cc1 813331930 SEBZXKJRYQVQMV-JOCHJYFZSA-N 322.474 1.866 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)C3CC(C)(O)C3)C2)cc1 819588541 XNYCOQNHZSBGIY-WRSVWVKZSA-N 318.417 1.799 10 10 DDCE CN1CCC[C@@](O)(CC(=O)NCc2cc(Cl)ccc2O)C1 911898280 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O=C1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1138159704 GGYBQJFNGWRTSC-STQMWFEESA-N 319.357 1.237 10 10 DDCE COC1(C(F)(F)F)CN(C(=O)Cc2ccc(O)c(O)c2)C1 1179002973 GBOFFELHLFDOBB-UHFFFAOYSA-N 305.252 1.430 10 10 DDCE CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1143807228 PURHYHFLJPYOBN-GFCCVEGCSA-N 317.349 1.446 10 10 DDCE Cc1cccc(-n2c(C)cc(C(=O)NC[C@@H](O)CO)c2C)c1 1158189087 FVGMHSWJUVWHAK-OAHLLOKOSA-N 302.374 1.486 10 10 DDCE CCO/C=C\C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 1302000822 PDYVNTWIORXNQB-GHXNOFRVSA-N 320.389 1.903 10 10 DDCE Cc1cc(O)c(CN(C)CCNS(C)(=O)=O)c(Cl)c1 1326045101 DLXYRXPULVWRTP-UHFFFAOYSA-N 306.815 1.335 10 10 DDCE COCC(COC)S(=O)(=O)Nc1ccc(O)c(Cl)c1 688567133 WYSWGJIZBAOLBB-UHFFFAOYSA-N 309.771 1.449 10 10 DDCE O=C(NCc1cccc(Cl)c1O)c1cccn2nnnc12 1180420198 IIABCQZVVKFMQS-UHFFFAOYSA-N 303.709 1.413 10 10 DDCE C[C@@H](NCCCO)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1282243909 YEVUVHFBJFUHHE-GHMZBOCLSA-N 321.381 1.328 10 10 DDCE CSC1(CNC(=O)Cc2ccc(O)c(O)c2)CCOCC1 1444780926 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CN1C(=O)C[C@H](NCc2cc(Cl)cc(Cl)c2O)C1=O 115261459 YIBPJBASOFXYHA-VIFPVBQESA-N 303.145 1.546 10 10 DDCE N[C@@H](COCc1ccccc1)C(=O)NCc1ccccc1O 1931701765 IKZQNMZZVJITHO-HNNXBMFYSA-N 300.358 1.553 10 10 DDCE NCc1cc(F)c(N2C[C@H](F)[C@H](O)C2)cc1Br 1944242293 NYUULBGAIKGSLY-GXSJLCMTSA-N 307.138 1.566 10 10 DDCE CN(CCS(=O)(=O)C(C)(C)C)c1ccc(CN)c(F)c1 2170440314 SQNYOHIIQCVGMI-UHFFFAOYSA-N 302.415 1.934 10 10 DDCE CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)Cc2ccc(O)c(O)c2)C1 2064878728 ZCSOUHCHRRUONV-NEPJUHHUSA-N 317.345 1.352 10 10 DDCE CSCC[C@H](N)CCNC(=O)c1cc(O)c(O)c(O)c1 2188923278 LQDOREZZJHDSSB-SECBINFHSA-N 300.380 1.004 10 10 DDCE CC(C)(C)S(=O)(=O)CCCNCc1cccc(O)c1O 2191420093 UMAYFOLLKZWZLW-UHFFFAOYSA-N 301.408 1.791 10 10 DDCE Cc1cc(O)nc(=NCc2ccc(Br)cc2O)[nH]1 2072654346 DJJDVMCNPITYCQ-UHFFFAOYSA-N 310.151 1.993 10 10 DDCE C[C@@]1(CNCc2ccc(F)cc2O)CCCS(=O)(=O)C1 2204744273 KIOAAJMTBUVYLJ-AWEZNQCLSA-N 301.383 1.836 10 10 DDCE CN(C[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(CO)cc1F 2285294568 DFGZHCBPRPXFJH-HAQNSBGRSA-N 301.383 1.577 10 10 DDCE CCOCCOCCOCCSc1ncc(C(=N)N)s1 2296239517 SZPJBHDIQMPFRT-UHFFFAOYSA-N 319.452 1.589 10 10 DDCE Cc1ccc(CN(C)CCC(N)=O)c(O)c1Br 2307460693 KVLALULSFPJJMX-UHFFFAOYSA-N 301.184 1.770 10 10 DDCE CN(Nc1ncc(C(F)(F)F)s1)S(=O)(=O)C1CC1 2317480224 PAJZNXNUWXUTRF-UHFFFAOYSA-N 301.315 1.913 10 10 DDCE CO[C@@H]1COC[C@@H]1NCc1ccc(C)c(Br)c1O 2327612183 JPRIOWDAOFIZRV-WDEREUQCSA-N 316.195 1.967 10 10 DDCE CCN[C@](CSc1nccs1)(C(N)=O)C(C)(C)OC 2340718885 ZVRHEEREDILTGS-GFCCVEGCSA-N 303.453 1.494 10 10 DDCE CCc1n[nH]c([C@H]2CN(Cc3ccc(OC)cc3O)CCO2)n1 129133275 OAQBEPQLVRONIS-CQSZACIVSA-N 318.377 1.655 10 10 DDCE Cc1cc(O)c([C@@H](N)C(=O)O)cc1I 220861473 MGNUPHOPSMAHOG-MRVPVSSYSA-N 307.087 1.390 10 10 DDCE COc1ccc(N(C)C[C@H](O)COC[C@@H]2CCCO2)cc1F 131439794 PPOUUXMZQBXECX-KBPBESRZSA-N 313.369 1.827 10 10 DDCE C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N(C)Cc1ccccc1O 245807875 NGWAOEVNTFQZDM-MCIONIFRSA-N 306.406 1.848 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 808523690 PVTBNYRWHLSFOO-AWEZNQCLSA-N 307.321 1.491 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(Cl)c2c(c1)OCCCO2 808497554 SZEGMXBFQREAOM-UHFFFAOYSA-N 312.705 1.816 10 10 DDCE C[C@@H](N[C@H]1CNCCC1(F)F)c1cc([N+](=O)[O-])ccc1O 817979848 FKCGUDFHVZGLGT-PELKAZGASA-N 301.293 1.948 10 10 DDCE CN(C)c1ccc([C@@H](N)CNC(=O)[C@]2(C)C[C@H]3CC[C@H]2O3)cc1 832286365 YPJSLPXIIZUQTC-KYHPRHEASA-N 317.433 1.826 10 10 DDCE O=[N+]([O-])c1cc(Cl)cc(CN2CCNC[C@@H]2C(F)F)c1O 843124784 NBNDZIZRTQTUHK-SNVBAGLBSA-N 321.711 1.993 10 10 DDCE C[C@@H]1CN(C(=O)CN(C)Cc2ccccc2O)CC(C)(C)O1 929976505 OZZAIPQBGTYJMX-CYBMUJFWSA-N 306.406 1.850 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@H]1CCc2nc[nH]c2C1 922532261 DSPZCWCDCNMREJ-VIFPVBQESA-N 304.325 1.611 10 10 DDCE CCn1ncc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)n1 858661523 ULIXEPQKVHBKGY-UHFFFAOYSA-N 320.372 1.503 10 10 DDCE c1cc2c(cc1CNC[C@H]1CCN1C1CCOCC1)CCO2 922951158 TZELFWLIUZBPOJ-QGZVFWFLSA-N 302.418 1.964 10 10 DDCE C[C@@H](NC[C@@]12COCCN1C(=O)OC2)c1ccc(F)cc1O 866521171 LEQDLCGGWXRXLW-BMIGLBTASA-N 310.325 1.403 10 10 DDCE CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)c2cc(O)cs2)C1 898536761 NSGXJZLKJGQIKX-KCJUWKMLSA-N 301.339 1.817 10 10 DDCE CNC(=O)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(C)C 897090875 OHPCNEIYPXDWRT-ZDUSSCGKSA-N 322.386 1.813 10 10 DDCE COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2cccc(O)c2O)C1 790940409 JTLJQTHFVSQTSZ-WDEREUQCSA-N 322.361 1.695 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(c2ccc(N)cc2)C1 1960834693 PXYQWTIORQWYRS-GXTWGEPZSA-N 307.394 1.733 10 10 DDCE CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCc1cc(O)ccc1O 1153886074 VJKFABKTPXGLHU-ZANVPECISA-N 310.350 1.485 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCN(CC(F)F)C1 1302973074 LXJKNNJHURFSPS-LLVKDONJSA-N 314.332 1.344 10 10 DDCE COc1ccnc(OC)c1C(=O)NCc1c(O)cccc1F 1303876097 UPQFEJIYTMAGHI-UHFFFAOYSA-N 306.293 1.874 10 10 DDCE CN(Cc1ncc(Cl)n1C)C(=O)c1c(F)ccc(O)c1O 1161074150 FDYWOMITEVCGTE-UHFFFAOYSA-N 313.716 1.896 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cc(Br)n[nH]1 1178910385 DONDUMGULZHCBU-UHFFFAOYSA-N 312.123 1.513 10 10 DDCE NC(=O)CONCc1cc(Cl)cc(Br)c1O 708192260 OBXLOHVQEILMCK-UHFFFAOYSA-N 309.547 1.315 10 10 DDCE Cc1cc(Br)cc(CNCCOCCCO)c1O 1327419405 UXZBQHJCNMALSO-UHFFFAOYSA-N 318.211 1.952 10 10 DDCE CCNCc1ccc(N(C)[C@@H](C)C(N)=O)c(Br)c1 711139164 IIYDDWYGGJRXNC-VIFPVBQESA-N 314.227 1.869 10 10 DDCE CN(Cc1cc(F)ccc1O)[C@H]1CCCS(=O)(=O)CC1 694196997 YUSVMPANVWEWEC-ZDUSSCGKSA-N 301.383 1.930 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)[C@H]2CCCN2C)cc1C 1265758798 KCCHLFZBTFKXSQ-GOEBONIOSA-N 319.449 1.692 10 10 DDCE COC[C@@H](Cn1c(C)nnc1N(C)Cc1ccccc1O)OC 1504582847 VPHDIHTYBXWKBP-CQSZACIVSA-N 320.393 1.590 10 10 DDCE C[C@@H](CNC[C@@H](C)O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1270604566 RSJURTGHEQCURY-WDEREUQCSA-N 321.381 1.185 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(O)(C(F)(F)F)CC1 1545848310 WXTUEEJOIYAGQK-UHFFFAOYSA-N 319.279 1.556 10 10 DDCE O=Cc1ccc(OCCC(=O)NCc2cccc(O)c2O)cc1 1471643831 KKAFOLAWWVUUQF-UHFFFAOYSA-N 315.325 1.996 10 10 DDCE Cc1occc(=O)c1OCC(=O)NCc1cccc(O)c1O 1651175976 VFTXSUXWQOKLIR-UHFFFAOYSA-N 305.286 1.055 10 10 DDCE [N-]=[N+]=NCCCCNC(=O)[C@]12CCC[C@H]1CS(=O)(=O)C2 2201863387 RNSPCTVCWZOUDL-JQWIXIFHSA-N 300.384 1.408 10 10 DDCE Cc1ccc(C)n1-c1ccc(C(=O)Nn2ccc(O)nc2=O)cc1 1586185943 GSMJEYLXIPNYBR-UHFFFAOYSA-N 324.340 1.740 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)N[C@H]1COC[C@H]1OC 1681834017 MQYFYPBGXJEHRU-DZGCQCFKSA-N 308.378 1.728 10 10 DDCE CNCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865979942 MYTBTGUENDDOBA-KRWDZBQOSA-N 318.465 1.615 10 10 DDCE C[C@H](NCC(C)(C)NS(C)(=O)=O)c1c(O)cccc1O 235513056 BNHSYBUISAXVHU-VIFPVBQESA-N 302.396 1.076 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@@H](N)[C@@H](O)C(=O)O)c1 1952353068 KPWKWEKQADFRAH-GHMZBOCLSA-N 312.322 1.185 10 10 DDCE COc1cc(Cl)cc(CN2CC(OCC(=O)O)C2)c1O 2144824366 DQZRXNKVYKFJLA-UHFFFAOYSA-N 301.726 1.340 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)[C@@H]1CCCN(c2cnccn2)C1 2065112575 OMBVURLYBIFZMO-LLVKDONJSA-N 314.345 1.743 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCC2(Cl)CCC2)cc1 2197068850 SFIVOZYFZUDAJC-UHFFFAOYSA-N 318.826 1.729 10 10 DDCE CO[C@@H]1C[C@@H](CF)N(S(=O)(=O)Cc2ccc(N)cc2)C1 2190241886 YWYYCNQQJHUCQB-QWHCGFSZSA-N 302.371 1.157 10 10 DDCE CN1CCN(c2cc(Br)c(CN)cc2F)[C@H]2C[C@@H]21 2049380006 MVRIFLBLIPMHNO-STQMWFEESA-N 314.202 1.940 10 10 DDCE C[C@@H](O)[C@@H]1CN(c2ccc(CN)cc2Br)CCO1 2053844004 HQEVHPDMMGOIRN-RNCFNFMXSA-N 315.211 1.494 10 10 DDCE CC1(C)CNC(=O)CN1c1ccc(CO)cc1Br 2055549522 LLBOTRWSRQWSIZ-UHFFFAOYSA-N 313.195 1.656 10 10 DDCE C[C@@H](N)c1cc(F)c(N2CC(CS(C)(=O)=O)C2)c(F)c1 2194688308 HTGFYGZMCWDWCC-MRVPVSSYSA-N 304.362 1.465 10 10 DDCE N[C@H]1CCN(Cc2cc(Br)ccc2O)C[C@@H]1CO 2058552771 SBEUJTOFGRFQNQ-PWSUYJOCSA-N 315.211 1.296 10 10 DDCE Nc1ccc(CS(=O)(=O)NOCCCC(F)(F)F)cc1 2191760241 JVGNOSLEVDONHA-UHFFFAOYSA-N 312.313 1.962 10 10 DDCE NC(=O)c1cnc(Sc2nc(CC(=O)O)cs2)s1 2218530377 DRWYIANGYQLPES-UHFFFAOYSA-N 301.374 1.477 10 10 DDCE CSc1ncc(CNCCCN2CCN(C)C2=O)s1 2269090350 LWGANWKIXBPOLH-UHFFFAOYSA-N 300.453 1.712 10 10 DDCE CSc1ncc(CNC(=O)C[C@@H]2COC(C)(C)CN2)s1 2284495001 UHXDIZNPZSMCQZ-SECBINFHSA-N 315.464 1.638 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CC[C@@](O)(C(F)(F)F)C2)c1 174744599 HHVMWJTULFFMMD-NSHDSACASA-N 306.240 1.800 10 10 DDCE CC[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1O 400051581 VAAGZUSFEJACSZ-UFBFGSQYSA-N 307.306 1.133 10 10 DDCE COc1ccc(O)c(CN2CCO[C@H](Cn3cc(C)cn3)C2)c1 180129629 DPFDZXLXCHKZPB-INIZCTEOSA-N 317.389 1.807 10 10 DDCE Cc1ccc(C(=O)N(CC(N)=O)Cc2ccc(N)cc2)s1 35366550 CIEUWCPEUYDLGT-UHFFFAOYSA-N 303.387 1.766 10 10 DDCE COC[C@@H](O)CN(C)Cc1cc(Cl)cc(C(C)=O)c1O 50157958 MIUGVOPBGMPWFJ-LBPRGKRZSA-N 301.770 1.687 10 10 DDCE C[C@H](N)c1ccc(N2CCC[C@@H]2C(N)=O)c(Br)c1 700394500 UBMDWHREYLIDRN-QPUJVOFHSA-N 312.211 1.923 10 10 DDCE NC(=O)c1cc(=NCc2cc(Br)ccc2O)cc[nH]1 804828751 YVAYARGELCKTQM-UHFFFAOYSA-N 322.162 1.683 10 10 DDCE CN(C)c1ccc(CN2C[C@@H]3COCC[C@]3(C(=O)O)C2)cc1F 901949144 HYCZJZCBXYIXKM-DYVFJYSZSA-N 322.380 1.815 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCCN(C(N)=O)CC2)cc1 835028711 RQIVYLRAVYWROS-HWKANZROSA-N 302.422 1.852 10 10 DDCE COc1ccc(N(CC(C)C)C[C@@H](O)CN2CCOCC2)cc1 747684314 YPVDBVKTJJKQOF-KRWDZBQOSA-N 322.449 1.851 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)O[C@H]3CCOC3)C2)cc1 917168218 APMGANSEQKOKIB-WFASDCNBSA-N 306.362 1.789 10 10 DDCE C[C@]1(CS(=O)(=O)NCc2c(O)cccc2F)CC1(F)F 921450843 GFLSJFIYFOOFIK-LLVKDONJSA-N 309.309 1.996 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCc2nc[nH]c2C1 922532259 DSPZCWCDCNMREJ-SECBINFHSA-N 304.325 1.611 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC/C=C\c1ccc(N(C)C)cc1 850362084 YFPHKDKUIFAYQE-XETQRACLSA-N 324.446 1.167 10 10 DDCE C[C@@H]1C[C@H]1NC(=N)NCc1ccc(N2CCC(CO)CC2)cc1 864454138 HSWFVVKGTVIHKW-CXAGYDPISA-N 316.449 1.918 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=O)c3cccnn3)C2)cc1 862035322 QCPZCEAUIBGVDT-ZDUSSCGKSA-N 312.373 1.742 10 10 DDCE COc1cccc([C@H](C)NC[C@@]23COCCN2C(=O)OC3)c1O 866521094 FRJVZRSOCWVZBV-ZBEGNZNMSA-N 322.361 1.273 10 10 DDCE CN(CC(=O)N1CCOC(C)(C)C1)c1ccc2c(c1)OCO2 930093897 OMDQYNFBQOILPQ-UHFFFAOYSA-N 306.362 1.489 10 10 DDCE C[C@@H](O)[C@@H]1CN(Cc2c(O)cccc2Br)CCO1 862394900 SJNKZVUVJMSYMN-RNCFNFMXSA-N 316.195 1.736 10 10 DDCE Cc1ccc(CNC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c(O)c1 877075396 BDIUQMCMLJRKPV-DYVFJYSZSA-N 317.389 1.511 10 10 DDCE C[C@@H]1CC[C@H](CO)N1CC(=O)NCc1ccc(N(C)C)cc1 880438368 DFNJVOHGVWAZKZ-CZUORRHYSA-N 305.422 1.214 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@H]2CCc3nncn3CC2)c1 880837037 GGBZSUHHYFNRNH-LBPRGKRZSA-N 300.362 1.561 10 10 DDCE C[C@@H](NCCCN(C)S(C)(=O)=O)c1c(O)cccc1O 822020198 LJGWSDHZOBILNS-SNVBAGLBSA-N 302.396 1.030 10 10 DDCE CC(C)(C)OC(=O)NCCC(F)(F)C(=O)NCCN=[N+]=[N-] 1885563025 OIASGEACBADZIQ-UHFFFAOYSA-N 307.301 1.963 10 10 DDCE O=C1COc2cc(C(=O)NCc3cccc(O)c3O)ccc2N1 1455317428 LFSVQELHELVIGV-UHFFFAOYSA-N 314.297 1.359 10 10 DDCE O=C(NCCn1cccn1)c1cc2cc(O)c(O)cc2s1 1291998590 ABSMMRROAYRTOJ-UHFFFAOYSA-N 303.343 1.939 10 10 DDCE COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(O)ccc1O 1558175058 ZJRHMTZFRMRLBP-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE COc1cc(CNCCCN(C)C)ccc1N(C)CC(=O)O 211565519 ZRVZZERPPURDQH-UHFFFAOYSA-N 309.410 1.257 10 10 DDCE Cc1c(C(=O)NCc2c(O)cccc2O)nnn1-c1ccccc1 1639289103 JQEDEHFPWURLJQ-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cccc(Cn2ccnn2)c1 1566358395 BRKWKJBGQWNAGP-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE O=C(Cn1c(O)nc2ccccc21)NCc1c(O)cccc1O 1645360816 KPXUBUAYJCPKIQ-UHFFFAOYSA-N 313.313 1.470 10 10 DDCE O=C1Cc2c(C(=O)N3C[C@@H](CO)c4ccccc43)ccnc2N1 1641237335 ATPKNGFBTVRVGD-JTQLQIEISA-N 309.325 1.313 10 10 DDCE C[C@@H](CC(N)=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 1583676809 QXPSWSQPHFZQPX-QWHCGFSZSA-N 319.405 1.212 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@]1(C)CCNC1=O 1587551757 CDUKUOMOGBIOIA-GOSISDBHSA-N 315.417 1.771 10 10 DDCE [N-]=[N+]=NCCCCN1CCC(N2CCCS2(=O)=O)CC1 1912147721 LGORASXFKWENCH-UHFFFAOYSA-N 301.416 1.577 10 10 DDCE CN(Cc1cc(Br)cc(F)c1O)CC1CNC1 1914315513 GKCCBXWWWDIESZ-UHFFFAOYSA-N 303.175 1.945 10 10 DDCE CC[C@H](NCCN(C)S(=O)(=O)CC)c1ccccc1O 1926359902 UHNUIMNGBKANSO-ZDUSSCGKSA-N 300.424 1.714 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 1977930425 VPQDSPSVLCWOMM-AWEZNQCLSA-N 319.405 1.937 10 10 DDCE COc1ccc(S(=O)(=O)NCCN=[N+]=[N-])c([N+](=O)[O-])c1 42012784 GGHRYVBIYUYGEG-UHFFFAOYSA-N 301.284 1.192 10 10 DDCE C[C@@H](O)c1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)c(F)c1 2148778748 SAAVFJOWLGVPBN-GHMZBOCLSA-N 301.383 1.750 10 10 DDCE CN(C(=O)[C@H](CO)CNC(=O)OC(C)(C)C)c1ccc(N)cc1 1993324613 KMLRZICCTDQKIX-NSHDSACASA-N 323.393 1.365 10 10 DDCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1cc(C(F)(F)F)ns1 2155002575 JYRAOLHIAZEQPO-ZETCQYMHSA-N 308.289 1.978 10 10 DDCE C[C@@H](NCc1c(O)cccc1F)[C@H]1CCCS(=O)(=O)C1 2160773035 VGJRLIAEFZHYIC-MNOVXSKESA-N 301.383 1.834 10 10 DDCE Nc1ccc(NC(=O)CCN2CCC3(CC2)OCCO3)cc1 316686392 XZQMPCPLGWWAMS-UHFFFAOYSA-N 305.378 1.436 10 10 DDCE Cn1c(O)nnc1CNCc1ccc(Br)cc1O 691451366 AVWJHNYGXINBJN-UHFFFAOYSA-N 313.155 1.279 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCOC34CCCC4)c2n1 2062382105 QVHVRHRKJNCVKX-LBPRGKRZSA-N 316.361 1.575 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)C[C@H]3CCCN(C)C3)c2n1 2063907297 HGTJETWSLMWVBP-LBPRGKRZSA-N 317.393 1.157 10 10 DDCE COC(=O)c1cccc(N)c1N[C@@H](C)[C@H](C)S(C)(=O)=O 2170601815 VQVIXIQRIADSOJ-IUCAKERBSA-N 300.380 1.289 10 10 DDCE O=S1(=O)C[C@H]2C(NCc3cc(Cl)cc(Cl)c3O)[C@@H]2C1 2118021070 QYSWRXBOAKHBPX-RKDXNWHRSA-N 322.213 1.832 10 10 DDCE C[C@@H](NCCS(=O)(=O)C(F)(F)F)c1cc(O)ccc1O 2232494663 HTTUMNCEAADBBV-SSDOTTSWSA-N 313.297 1.683 10 10 DDCE Cc1cc(O)cc(C)c1NS(=O)(=O)NC(=O)OC(C)C 2239740524 CQEDPJBEBYRBRM-UHFFFAOYSA-N 302.352 1.800 10 10 DDCE CSc1ncc(CNC(=O)[C@]23CCOC[C@H]2CNC3)s1 2284494633 PNJLXBBMEQNHGS-RNCFNFMXSA-N 313.448 1.107 10 10 DDCE CCN=c1cc(C(=O)NCc2cnc(SC)s2)cn[nH]1 2289652674 IFPVMOHYWXRYQR-UHFFFAOYSA-N 309.420 1.439 10 10 DDCE Cc1ccc(CNC[C@@H]2CCNC2=O)c(O)c1Br 2327623734 KRHNCRDFBRHZDI-JTQLQIEISA-N 313.195 1.689 10 10 DDCE CCS(=O)(=O)N(C)Nc1nc2ccc(OC)cc2s1 2339775922 WBBVAVFYGUSMFO-UHFFFAOYSA-N 301.393 1.913 10 10 DDCE NCCNCCCNc1cccc2c1C(=O)c1ccccc1C2=O 33898592 OQFZRZUXMOYHJZ-UHFFFAOYSA-N 323.396 1.812 10 10 DDCE CCS(=O)(=O)N1CCN(c2ccc(OC)c(OC)c2)CC1 41379818 XVZJTGZUJOWKBV-UHFFFAOYSA-N 314.407 1.176 10 10 DDCE CC(C)N1C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)C1 245706062 MKZFDDIBRVEDIL-RCOIXESOSA-N 304.390 1.956 10 10 DDCE O=C1CC[C@H](NC(=O)NCc2ccccc2O)C2(CCC2)N1 283674698 SORRAXWXCFUTFN-ZDUSSCGKSA-N 303.362 1.393 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(C)cc2)c1C 808493442 DKEGJDMETPSAOZ-UHFFFAOYSA-N 300.314 1.804 10 10 DDCE CS(=O)(=O)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 294823724 GJPFNIZBBVRZJC-UHFFFAOYSA-N 322.789 1.262 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)CCC[C@H]1CCOC1 827187512 DWYMGCAIEXHOKD-ZDUSSCGKSA-N 313.419 1.971 10 10 DDCE CN(C)CC1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 908534124 UMVJTHRTAZULJQ-UHFFFAOYSA-N 306.387 1.946 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NCC[C@H]2CC(=O)N(C)C2)c1 903215987 RZLAUURIWSSTPI-NEPJUHHUSA-N 320.389 1.698 10 10 DDCE CN(C)c1ccc(CNS(=O)(=O)CC2(F)CC2)cc1F 914014385 XAAMXSUDPDFNJJ-UHFFFAOYSA-N 304.362 1.813 10 10 DDCE CCN1CC[C@H](N2CCN(c3ccc(OC)cc3)CC2)C1=O 851713346 BUNLRPICBIXNQU-INIZCTEOSA-N 303.406 1.438 10 10 DDCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccon1 1137816611 MMNZACHAIDOQMI-UHFFFAOYSA-N 324.720 1.849 10 10 DDCE CN(C)CCN(C(=O)Cc1ccc(O)c(O)c1)C1CCCC1 1144198242 YYOJOAMCQKUZMS-UHFFFAOYSA-N 306.406 1.973 10 10 DDCE CO[C@@H](C(=O)NCc1ccc(O)c(O)c1)C(=O)OC(C)(C)C 1150377046 GTBGYFIHTNVULO-LBPRGKRZSA-N 311.334 1.071 10 10 DDCE O=C1CCc2cc(C(=O)NCc3ccc(O)cc3O)ccc2N1 1162279177 UOVILOKMKDHXMU-UHFFFAOYSA-N 312.325 1.913 10 10 DDCE CO[C@H](CO)CNCc1cc(Br)cc(F)c1O 1963410792 PMEHBOJFGVISKI-VIFPVBQESA-N 308.147 1.391 10 10 DDCE CCC[C@H](C)N1C[C@H](C(=O)NCc2cc(O)ccc2O)CC1=O 1176748680 ZKULQWGQEDFVQM-WCQYABFASA-N 320.389 1.751 10 10 DDCE C[C@H](NCc1cc(Cl)cc(Br)c1O)C(N)=O 708168404 BPSSXWAYDPXUNP-YFKPBYRVSA-N 307.575 1.772 10 10 DDCE CN[C@H](C)c1ccc(N2CCS(=O)(=O)CC2)cc1Cl 78904355 GKKALEXJMKANON-SNVBAGLBSA-N 302.827 1.855 10 10 DDCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1ncc(Br)s1 714032966 MCDCYECEIJIGMF-RXMQYKEDSA-N 305.161 1.332 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@H]2C[C@H](O)C23CCC3)cc1F 1333721275 GZRRIYJPLCXQJQ-GJZGRUSLSA-N 321.396 1.994 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2ncn(C)n2)cc1C 1274740322 SCOGGUNLLCDADA-GFCCVEGCSA-N 317.393 1.040 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cc([C@@H]2CCCO2)[nH]n1 1299948001 PEZJKXXBZRSZTB-ZDUSSCGKSA-N 303.318 1.854 10 10 DDCE O=S1(=O)C[C@H]2[C@@H](CNCc3cccc(Cl)c3O)[C@H]2C1 2117982644 QVRMEGMSFVCUHR-JGPRNRPPSA-N 301.795 1.426 10 10 DDCE CC1=CC(C(=O)Nc2ccc(-c3nnco3)cc2)=S=C1C=O 1540976789 KLSFIFQOSCSQTD-UHFFFAOYSA-N 313.338 1.912 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1nnc(O)n1C1CC1 1627942237 ZXSGTCWUTKPJDU-QHHAFSJGSA-N 316.317 1.059 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1[C@H]2CC[C@H]1CC(CCO)C2 1636371396 HGHVNCQNJNPTMI-KBPBESRZSA-N 305.374 1.792 10 10 DDCE C[C@H](NC(=O)c1ccco1)C(=O)NCc1cccc(O)c1O 1633515833 RTGYWRUXZDNBBA-VIFPVBQESA-N 304.302 1.126 10 10 DDCE NC(=O)c1ccc(/C=C\C(=O)NCCc2ccc(O)c(O)c2)o1 1636022869 RZSWBBSGGOXLCK-UTCJRWHESA-N 316.313 1.162 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC2(CC1)COCCO2 1636649829 HBUQLKLZHNWELX-UHFFFAOYSA-N 307.346 1.048 10 10 DDCE CS(=O)(=O)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 1630912553 KGXPFXXFTLNMNL-UHFFFAOYSA-N 312.351 1.014 10 10 DDCE CN(Cc1ccccc1O)C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 1635658256 MZEYZMRQZJGRDV-OCCSQVGLSA-N 306.362 1.164 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1c(F)ccc2c1OCO2 1644757172 XCYCWORBGHHQCC-UHFFFAOYSA-N 305.261 1.896 10 10 DDCE NC(=O)NC1CC(NCc2c(O)cccc2Br)C1 1966033802 JUHTWZQFTBMTFU-UHFFFAOYSA-N 314.183 1.444 10 10 DDCE C[C@@H]1C(=O)NC(=O)CN1c1ccc(CN)cc1C(F)(F)F 163728037 KCOCQJDWWVQJRB-SSDOTTSWSA-N 301.268 1.015 10 10 DDCE O=C(CCn1c2c(c3ccccc31)CCCC2)NCc1nn[nH]n1 1850136962 BZTLGTSVSSPBCJ-UHFFFAOYSA-N 324.388 1.740 10 10 DDCE Nc1cccc(Br)c1NC1[C@H]2CS(=O)(=O)C[C@H]12 2006195382 UOHLQJFTAHQMBI-BQBZGAKWSA-N 317.208 1.486 10 10 DDCE OCc1ccc(N2C[C@@H]3OCCO[C@H]3C2)c(Br)c1 2032411497 HSRQWTRCQDQBEI-STQMWFEESA-N 314.179 1.545 10 10 DDCE Cc1[nH]nc(CO)c1S(=O)(=O)Nc1ccc(O)c(Cl)c1 2157779258 HFJUWMKDLDGZTN-UHFFFAOYSA-N 317.754 1.370 10 10 DDCE CN(c1ccc(CN)c(Br)c1)[C@@H]1CCCNC1=O 2051439799 MCHNENZABCLRON-GFCCVEGCSA-N 312.211 1.623 10 10 DDCE NCc1ccc(N2C[C@@H](F)[C@H](CO)C2)c(F)c1Br 2057002734 PTFPWOYSGBZKMC-DTWKUNHWSA-N 321.165 1.814 10 10 DDCE C[C@H]1CNC(=O)CN1c1ccc([C@@H](C)O)c(Br)c1 2060844094 YGNNTOFZBYVODR-DTWKUNHWSA-N 313.195 1.827 10 10 DDCE O=C(N[C@H]1CCCC2(CC1)OCCO2)c1cc(O)nc(O)c1 2095751182 QRCQGUJQFLDHMS-NSHDSACASA-N 308.334 1.298 10 10 DDCE COc1ccc(N(C)[C@@H](C)CS(C)(=O)=O)c(C(=O)O)c1 2235947773 KGBQBYOXKDFNLT-VIFPVBQESA-N 301.364 1.263 10 10 DDCE CC(=O)N1CCN(C2=NC(=O)C(=Cc3cccs3)S2)CC1 2297464040 BUVZZPLRTFGLLG-UHFFFAOYSA-N 321.427 1.883 10 10 DDCE CCN1CC[C@](NCc2cnc(SC)s2)(C(=O)O)C1 2347698737 YCXMBYYEDQSESK-GFCCVEGCSA-N 301.437 1.504 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CN(C)CCO1 108930510 IOBXEVCHDGUKCB-OAHLLOKOSA-N 321.421 1.644 10 10 DDCE CN(C)c1ccc(CNC(=O)NC[C@H](O)C(F)(F)F)cc1F 57646849 ZYJQPFQLTINQOQ-NSHDSACASA-N 323.290 1.614 10 10 DDCE COc1ccc(O)c([C@H](C)NCC(C)(C)NS(C)(=O)=O)c1 109041083 UHKGTQHTJNEENA-JTQLQIEISA-N 316.423 1.379 10 10 DDCE C[C@H](CO)N(C)c1cc2c(cc1Br)[C@H](N)C(=O)N2 122546306 GSCQFXVYTMYKKD-KBUNVGBDSA-N 314.183 1.218 10 10 DDCE Cc1cc(CNCc2cc3c(cc2O)OCO3)nc(N(C)C)n1 188764228 ZXCCBPJBEBMHPY-UHFFFAOYSA-N 316.361 1.575 10 10 DDCE C[C@H](N[C@@H](C)c1ccc(N2CCC(O)CC2)cc1)C(=O)N(C)C 189010099 VILGWYXBTAWUEQ-KBPBESRZSA-N 319.449 1.775 10 10 DDCE CC[C@H](O)CN1CCN(Cc2cc(OC)c(OC)cc2O)CC1 180163614 USOINVUKYJVGDT-AWEZNQCLSA-N 324.421 1.298 10 10 DDCE COCCN1CCCN(Cc2ccc(N(C)C)cc2)CC1=O 191695680 XUDJMMRLZCXDJC-UHFFFAOYSA-N 305.422 1.433 10 10 DDCE COC(=O)CCCCC(=O)OCC(=O)c1ccc(O)c(O)c1 801357710 TYEHBGKMPSGSCQ-UHFFFAOYSA-N 310.302 1.557 10 10 DDCE O=S(=O)(NC1CN(c2ccc(CO)c(Cl)c2)C1)C1CC1 2165627845 WUDZPUSOISXMEW-UHFFFAOYSA-N 316.810 1.103 10 10 DDCE COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3C[C@H]3C)CC2)cc1 819298234 DVWMFELOYAUWMW-UWWQBHOKSA-N 319.449 1.176 10 10 DDCE C[C@H](NC(=O)[C@@H]1CCNC(=O)CC1)c1ccc(N(C)C)cc1 816180522 RWDKPQYCMRAMFO-JSGCOSHPSA-N 303.406 1.846 10 10 DDCE COC[C@H](CCCN)NCc1ccc(N2CCOCC2)cc1 817893108 DTUCAGPVSMHLIB-INIZCTEOSA-N 307.438 1.367 10 10 DDCE CC(C)CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1=O 588530894 RNKHQGTZGZXTHO-XQRVVYSFSA-N 318.373 1.438 10 10 DDCE CCOc1ccc(O)c(CN2C[C@@H](O)C[C@H](C(=O)OC)C2)c1 843433773 COKIDVYKNNDNNI-STQMWFEESA-N 309.362 1.147 10 10 DDCE O=[N+]([O-])c1cc(Cl)cc(CN2CCn3nncc3C2)c1O 848921623 DARYXFGXPPKIHY-UHFFFAOYSA-N 309.713 1.561 10 10 DDCE CC[C@@H]1CC[C@H](C)N1Cc1cc(O)n2ncc(C(=O)O)c2n1 846254071 CMNYCLXEHLMAAE-GXSJLCMTSA-N 304.350 1.896 10 10 DDCE CCC(O)(CC)CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 858831762 PCKLZPHPUMWFIJ-UHFFFAOYSA-N 323.349 1.913 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](O)C[C@H]3C)C2)cc1 854299109 LLFBDLXDBADYEM-IPYPFGDCSA-N 319.405 1.439 10 10 DDCE CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc(N=NC(N)=O)cc1 857841664 VWNIKBHPASJFET-LBPRGKRZSA-N 317.349 1.542 10 10 DDCE COCCOCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855229554 ANOBNYXHDAAVOU-ZDUSSCGKSA-N 308.378 1.053 10 10 DDCE COC(=O)[C@@]12C[C@@H](NC(=O)NCc3c(O)cccc3F)C[C@@H]1C2 923905917 ZEZOVMJAYFKDEI-LSYCYVAJSA-N 322.336 1.672 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H]2CC[C@H]1[C@H](CO)C2 856463754 FRWVVAWUMWLEOR-GTNIHLNRSA-N 303.358 1.730 10 10 DDCE COC(=O)C[C@@H](CNC(=O)NCCc1ccc(N)cc1)C1CC1 851665030 OKTIWWTVWWNPLU-AWEZNQCLSA-N 319.405 1.700 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3[nH]c(O)nc3C)C2)cc1 855224496 KZRYDFQYIRKCLK-NSHDSACASA-N 316.361 1.441 10 10 DDCE CNC(=O)NC[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1 859490054 VSOONLJZIZCLIV-HNNXBMFYSA-N 320.437 1.191 10 10 DDCE C[C@H](O)[C@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 865740614 JHMNLXINDYRRKG-BLLLJJGKSA-N 323.393 1.416 10 10 DDCE C[C@H]1C[C@H]1c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1 762250636 FCTNYYAKAGQYMB-IONNQARKSA-N 309.347 1.937 10 10 DDCE Cc1cc(CNC(=O)CNC(N)=O)c(C)n1-c1ccccc1 863168379 ZQAKTSJBGQMSFM-UHFFFAOYSA-N 300.362 1.379 10 10 DDCE Cc1ccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)c(O)c1O 780904097 MJVBXBZJTVXIPO-UHFFFAOYSA-N 314.297 1.989 10 10 DDCE Cn1ncnc1C1(O)CN(Cc2cc(Cl)c(F)cc2O)C1 895618880 PETHJEHHUVFWHE-UHFFFAOYSA-N 312.732 1.017 10 10 DDCE OCc1nnc2n1CCN(Cc1c(O)ccc(Cl)c1F)C2 792169450 KJUUSDQMKPCRFU-UHFFFAOYSA-N 312.732 1.284 10 10 DDCE COc1cccc(CNC(=O)c2ccc3oc(O)nc3n2)c1O 1137473342 GINKYAFNVCYPTM-UHFFFAOYSA-N 315.285 1.573 10 10 DDCE CNC(=O)C[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1 797766976 SJAGZZLHYXBWOG-CYBMUJFWSA-N 314.341 1.705 10 10 DDCE COC(=O)[C@H]1CCCN(c2ccc(OC)c3c2CNCC3)C1 82792814 AZJXCYWOPLNZQS-LBPRGKRZSA-N 304.390 1.730 10 10 DDCE CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccccc1O 1324891663 BLLZTQIYRJAOPD-ZFWWWQNUSA-N 320.389 1.424 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)[C@@H]2COCCO2)cc1C 1268678746 OSTLXGZYUYYRBP-BBRMVZONSA-N 322.405 1.013 10 10 DDCE CSc1nc(O)cc(CNC(=O)c2ccc(C)c(O)c2O)n1 1299998363 JKXRJEWDKVSPSV-UHFFFAOYSA-N 321.358 1.554 10 10 DDCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cn[nH]c1 1546151766 GNONCZDLASDZPQ-UHFFFAOYSA-N 323.736 1.584 10 10 DDCE Cn1nccc1C1=CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1623821905 UQZFQVSWHROOND-UHFFFAOYSA-N 313.357 1.690 10 10 DDCE O=C(N[C@@H](c1ccccc1)c1nc[nH]n1)c1cccc(O)c1O 1633289891 XOPAIQBWINUZQB-ZDUSSCGKSA-N 310.313 1.735 10 10 DDCE COc1ccc(Br)c(CN[C@H]2C[C@H]2CO)c1O 2214882710 KQMNDASKBWGPLH-XVKPBYJWSA-N 302.168 1.634 10 10 DDCE CCOCC(=O)N1C[C@H](C)[C@H](NCc2ccc(OC)c(C)c2)C1 1733843400 VMUKIFZRLZYMIT-GOEBONIOSA-N 320.433 1.977 10 10 DDCE O=C(N[C@@H]1CC[C@@H](O)[C@@H](O)C1)c1cc2cc(O)c(O)cc2s1 1597979045 PNUNTAMHKTYXGU-KKZNHRDASA-N 323.370 1.317 10 10 DDCE NC(=O)CC1CC(NC(=O)NCc2cc(Cl)ccc2O)C1 1685129450 ILKGHULTLODOIY-UHFFFAOYSA-N 311.769 1.499 10 10 DDCE CCOc1cccc(CNCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1O 1857867170 XFOJHDYFLBVCIG-CHWSQXEVSA-N 322.405 1.516 10 10 DDCE Cc1cc(=O)c(OCC(=O)O)cn1CCOc1ccc(N)cc1 1857916649 GBMBTOYJODLQCM-UHFFFAOYSA-N 318.329 1.281 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)c1cnn(C)c1Br 1912151542 IQUPALVENYKYMC-UHFFFAOYSA-N 301.148 1.955 10 10 DDCE Cn1cc(Br)c(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)n1 1912192977 AYNGAXPXFRPFET-SSDOTTSWSA-N 313.159 1.955 10 10 DDCE C[C@@H](O)c1ccc(N2CC(C)(C(N)=O)C2)c(Br)c1 1914221114 OMZOGOUCQHISMV-MRVPVSSYSA-N 313.195 1.814 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@H](N)[C@@H](O)C(=O)O)c1 1952353075 KPWKWEKQADFRAH-WDEREUQCSA-N 312.322 1.185 10 10 DDCE O=C(O)[C@@H]1[C@H]2CN(Cc3ccc(Br)cc3O)C[C@H]21 1970542489 KODRPCIZVFLZBJ-IAZYJMLFSA-N 312.163 1.917 10 10 DDCE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980375537 ABBXUIDVSTZYBR-JTNHKYCSSA-N 324.421 1.898 10 10 DDCE C[C@H](NCc1cc(F)ccc1O)[C@@H]1CCCS(=O)(=O)C1 2146101620 YPQUPMVKKWETRD-WDEREUQCSA-N 301.383 1.834 10 10 DDCE CN(C[C@@H]1COCCO1)c1ccc(CO)cc1Br 2027157077 AMPCHTGDAFRAMA-LLVKDONJSA-N 316.195 1.793 10 10 DDCE Cn1nnc(Br)c1CNCc1ccc(O)c(O)c1 2028900937 UWQNZTULANLHSD-UHFFFAOYSA-N 313.155 1.279 10 10 DDCE C[C@@H](NCc1c(O)cccc1Br)c1nc(O)n[nH]1 706868370 KPHVXAKOAAZWDU-ZCFIWIBFSA-N 313.155 1.829 10 10 DDCE NCc1ccc(N2C[C@H](F)[C@@H](CO)C2)c(F)c1Br 2057002733 PTFPWOYSGBZKMC-BDAKNGLRSA-N 321.165 1.814 10 10 DDCE CN[C@@H](C)c1cc(F)c(N(C)CCS(C)(=O)=O)c(F)c1 2194714213 LUBIXQJEYOWZNU-VIFPVBQESA-N 306.378 1.726 10 10 DDCE Nc1ccc(OCCNS(=O)(=O)c2cc(N)cs2)cc1 2191621613 ATMQBDPIJJWEEV-UHFFFAOYSA-N 313.404 1.270 10 10 DDCE CC(=O)NN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S 2297263706 RYXXUHRTUNLIED-UHFFFAOYSA-N 323.355 1.847 10 10 DDCE CC1=NN(c2ccccc2)C(=O)C1=C(C)NN1CCOCC1 2313682248 YKJMHHHIIDSMLR-UHFFFAOYSA-N 300.362 1.520 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)Nc2nccs2)cc1F 57732180 PEKVUQXFEIWCNE-UHFFFAOYSA-N 322.365 1.603 10 10 DDCE Cc1nn(C)c2c1CCN(C(=O)c1cc(O)c(O)c(O)c1)C2 170190657 PDLMSVQSEOXYHK-UHFFFAOYSA-N 303.318 1.044 10 10 DDCE CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 52102526 VQWLRHXFRPCABD-KRWDZBQOSA-N 319.449 1.822 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2CCc3ncnn3C2)cc1 112712257 SWLXCIHFILKICX-CYBMUJFWSA-N 314.393 1.158 10 10 DDCE CCCNC(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3)CC1 62575847 LSTKHARENQYSKI-UHFFFAOYSA-N 316.405 1.813 10 10 DDCE COc1ccc(O)c([C@H](C)NC[C@@H](O)CN2CCCCC2)c1 185115009 YSZIAOYOEHUFNY-UONOGXRCSA-N 308.422 1.898 10 10 DDCE O=C1NC(=S)N/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 34387279 LTMSPBMJBBAVBQ-XFFZJAGNSA-N 314.322 1.990 10 10 DDCE C[C@H]1CCC[C@H](CS(=O)(=O)Nc2ccc(O)c(N)c2)O1 2364234016 GYMHBBIWXWGDEL-GXSJLCMTSA-N 300.380 1.674 10 10 DDCE CN(C)CCOc1ccn2nc(Nc3ccc(N)cc3)nc2c1 74376115 OBQFFFJXRFCQSD-UHFFFAOYSA-N 312.377 1.996 10 10 DDCE CCN1CCN([C@H](C(=O)Nc2ccc(N)cc2)C(C)C)CC1 62461127 ZPWAQKPCISWVQF-INIZCTEOSA-N 304.438 1.869 10 10 DDCE CNS(=O)(=O)c1ccc(NCCc2ccc(N)cc2)cc1 40675785 IFYQELCVRKBPRN-UHFFFAOYSA-N 305.403 1.832 10 10 DDCE C[C@@H]1C[C@H]1N1C[C@@H](NCc2ccc(N(C)C)c(F)c2)CC1=O 363414550 OMIBMUWKKGXBBZ-PVXIVEMSSA-N 305.397 1.991 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccnn1C 274994078 ZHNNOENOHVKTCH-LLVKDONJSA-N 303.362 1.511 10 10 DDCE CCOC(=O)c1cnc(NC(=O)c2cccc(O)c2O)n1C 807377767 UAIVRLUFUWFERP-UHFFFAOYSA-N 305.290 1.260 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)C[C@](C)(F)CN 2164487423 MDOPIXIJZKUYQU-GXFFZTMASA-N 304.387 1.402 10 10 DDCE Cc1cc(Cl)cc(CNC2CC(NS(C)(=O)=O)C2)c1O 802653824 BJHHQYODSDVQGC-UHFFFAOYSA-N 318.826 1.524 10 10 DDCE CC1CCN(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 808107282 KSURWSMUJBKPAC-UHFFFAOYSA-N 315.351 1.689 10 10 DDCE CCS(=O)(=O)NC1CN(c2ccc([C@@H](C)N)cc2Cl)C1 2165573165 QUWLQKHSWPYXCO-SECBINFHSA-N 317.842 1.488 10 10 DDCE CC(C)[C@H](O)C(=O)NCc1cc(Br)ccc1O 813610263 SAZZZUMWERDFEJ-NSHDSACASA-N 302.168 1.788 10 10 DDCE CO[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[C@H]1CCOC1 831923953 AKRQGKZUTMJVEJ-GMXABZIVSA-N 309.362 1.197 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@]2(C)CCCS2(=O)=O)cc1 905318188 NEIXSUBQBCFCRH-HNNXBMFYSA-N 310.419 1.336 10 10 DDCE CN1CCN(C(=O)CNC/C=C/c2ccc(N(C)C)cc2)CC1 835035303 GSNPTIYWMQSLSR-SNAWJCMRSA-N 316.449 1.129 10 10 DDCE O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1ccc(N2CCOCC2)cc1 846101049 XLSLGLQXHLORPR-CKJXQJPGSA-N 306.431 1.228 10 10 DDCE C[C@H]1CN(Cc2cc3c(cc2O)CCCC3)C[C@H](C(N)=O)O1 863288636 SOVRWSSLQJQRNJ-MEDUHNTESA-N 304.390 1.346 10 10 DDCE Nc1ccc(OCC(=O)NC2CCC3(CC2)OCCO3)cc1 1876423105 SAHJAAJUSFNCNS-UHFFFAOYSA-N 306.362 1.450 10 10 DDCE O=C(NC[C@@H](CO)c1ccccc1)c1c(F)ccc(O)c1O 788303351 CVJHEXYWYLQBNF-NSHDSACASA-N 305.305 1.743 10 10 DDCE CN(C)c1ccc(CNCCC2CS(=O)(=O)C2)cc1F 786823648 BDLJIFHJZUVMKN-UHFFFAOYSA-N 300.399 1.416 10 10 DDCE CN(C)c1ccc(CN2CC(C3CS(=O)(=O)C3)C2)cc1F 895428439 SMKSDWDDSHRNMA-UHFFFAOYSA-N 312.410 1.368 10 10 DDCE CCC(CC)N1C[C@H](C(=O)NCc2c(O)cccc2O)CC1=O 1304050173 JSSWPGYRMOUQPW-LLVKDONJSA-N 320.389 1.751 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2c(C)nc(O)nc2S)c1 1167293968 WQXXKLBBOYYYHF-UHFFFAOYSA-N 305.359 1.723 10 10 DDCE COc1ccc(Br)c(CN=c2ccn(C)[nH]2)c1O 1964022241 RZJUPDSPHYFGRE-UHFFFAOYSA-N 312.167 1.931 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@H]1Cc2cc(F)ccc2O1 1299574747 UDNQUDBFADVZBM-OAHLLOKOSA-N 303.289 1.857 10 10 DDCE C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCc3ccc(O)c(O)c3)CN2C1 1521265892 JWCDBGJEEHMBEP-BPLDGKMQSA-N 318.417 1.877 10 10 DDCE NC(=O)[C@H]1OCC[C@H]1NCc1cc(Cl)cc(Cl)c1O 2117464751 AXZVJYAMXPOADU-KOLCDFICSA-N 305.161 1.431 10 10 DDCE CC[C@H]1CN([C@H](CC)C(=O)NCc2ccc(O)c(O)c2)CCO1 1545637095 MOTYTHDWPVGCDC-UONOGXRCSA-N 322.405 1.603 10 10 DDCE Cc1cn2nc(C(=O)N(C)Cc3ccccc3O)cc2c(=O)[nH]1 1631154879 KWPAXMQKLXBYJM-UHFFFAOYSA-N 312.329 1.309 10 10 DDCE CO[C@H]1COCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 1636303591 WQBALWISZGOLHO-AAEUAGOBSA-N 320.349 1.630 10 10 DDCE Cn1c(=O)oc2c(C(=O)NCc3ccc(O)cc3O)cccc21 1630302312 XHMRIBDNWDHGND-UHFFFAOYSA-N 314.297 1.473 10 10 DDCE CC(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nncn1C 1635047690 PBUZEVAMDXTNKS-AWEZNQCLSA-N 304.350 1.282 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)Cc2cnc[nH]2)cc1C 1567057264 GZNDFTLDLFVMRG-ZDUSSCGKSA-N 316.405 1.564 10 10 DDCE O=C(CNC(=O)c1cccs1)NCc1cc(O)ccc1O 1644752772 UHAHRAXUGRMEGR-UHFFFAOYSA-N 306.343 1.206 10 10 DDCE CC(C)n1cnnc1CN(C)C(=O)c1c(F)ccc(O)c1O 1651059238 VEHKDAWSBXLKOP-UHFFFAOYSA-N 308.313 1.682 10 10 DDCE COc1ccc(CN(C)C(=O)Cc2ccc(O)c(O)c2)cn1 1584318088 QKKKEFDNXUECIL-UHFFFAOYSA-N 302.330 1.703 10 10 DDCE O=C(CS(=O)(=O)C1CCCC1)NCc1c(O)cccc1O 1597568540 GKKWIIYKDZNZPD-UHFFFAOYSA-N 313.375 1.071 10 10 DDCE O=S1(=O)CC[C@H]1CNCc1cccc(Br)c1O 1945524889 BTHOIQAHNPAAJK-VIFPVBQESA-N 320.208 1.431 10 10 DDCE C[C@H](N)c1ccc(N(C)CCN(C)S(C)(=O)=O)cc1Cl 2146926110 LEDQPNSQCDELBK-JTQLQIEISA-N 319.858 1.687 10 10 DDCE Cn1nc(C(=O)N2CC(N=[N+]=[N-])C2)cc1NC(=O)OC(C)(C)C 1985094843 VAPLJZSAJSWKCV-UHFFFAOYSA-N 321.341 1.902 10 10 DDCE CNCc1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)c(Cl)c1 2145069984 FLPOHNVCIGJLFY-BXUZGUMPSA-N 314.838 1.683 10 10 DDCE C[C@@H](CS(N)(=O)=O)NCc1cc(Cl)cc(Cl)c1O 2035453023 SDLOYXGDOHUDES-LURJTMIESA-N 313.206 1.466 10 10 DDCE COc1cccc(O)c1CN(C)[C@H](C)CCS(C)(=O)=O 2160744960 ZEBIQANMOKLHIT-LLVKDONJSA-N 301.408 1.656 10 10 DDCE NC(=O)N1CCN(Cc2c(O)cccc2Br)CC1 722182206 QSNMILXDVJRRHO-UHFFFAOYSA-N 314.183 1.351 10 10 DDCE CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1cccc(O)c1O 807230271 DNUZBMPRSSYGPJ-SNAWJCMRSA-N 322.361 1.909 10 10 DDCE C[C@H](C[S@](C)=O)N(C)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 398898626 BCERFCDJWCROQP-DKZRERMLSA-N 315.826 1.495 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H]4CC[C@@H](O)[C@H]3C4)c2n1 2063614141 CCTXXQMWRLKRCY-RAIGVLPGSA-N 316.361 1.119 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(OC)cc1O 2170597087 MBKWISVMRIULEK-MNOVXSKESA-N 301.408 1.875 10 10 DDCE COCC1(NCc2cc(Br)cc(F)c2O)COC1 2068957137 AWCDFADGDVLZPL-UHFFFAOYSA-N 320.158 1.799 10 10 DDCE Oc1c(Br)cccc1CN1CCO[C@H]2COC[C@@H]21 2072494181 QUADIMXLPGXQEN-RYUDHWBXSA-N 314.179 1.754 10 10 DDCE O=S(=O)(CCNCc1cccc(F)c1O)C(F)(F)F 2224286666 GBCYWAYLNLUNMK-UHFFFAOYSA-N 301.261 1.556 10 10 DDCE CC(C)(C)OC(=O)NC(CF)(CF)C(=O)NCCN=[N+]=[N-] 2242424176 BYYOQTQHMJAZLI-UHFFFAOYSA-N 307.301 1.615 10 10 DDCE O=S(=O)(CCCNCc1ccc(F)cc1O)C(F)(F)F 2286437993 XPSZCRHDAKYCQY-UHFFFAOYSA-N 315.288 1.946 10 10 DDCE C[C@H](O)CN(C(C)(C)C)S(=O)(=O)Cc1ccc(N)cc1 2288114430 YECJRHIJSNIACN-NSHDSACASA-N 300.424 1.580 10 10 DDCE COc1ccc(O)c(CNC(=O)C=Cc2cnn(C)c2C)c1 2304192470 KHCDCULXUPFEPS-UHFFFAOYSA-N 301.346 1.772 10 10 DDCE Cc1ccc(CN(C)CCOCCO)c(O)c1Br 2327630440 SELBVMKZOISRAD-UHFFFAOYSA-N 318.211 1.904 10 10 DDCE Cc1ccc(CNC[C@@H]2CNC(=O)O2)c(O)c1Br 2327624459 RKMNXRSQXXVOBH-SECBINFHSA-N 315.167 1.661 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1 176247373 MIGXXFJYRWKEMA-LSDHHAIUSA-N 308.334 1.680 10 10 DDCE NC(=S)[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1 126147882 IDZZMDZVPZUVHX-LBPRGKRZSA-N 302.355 1.855 10 10 DDCE COCCN(C1CC1)S(=O)(=O)CCOc1ccc(N)cc1 70490706 UZEJXCVNFIOACE-UHFFFAOYSA-N 314.407 1.088 10 10 DDCE CCO[C@@H]1C[C@](O)(CNCc2cc([N+](=O)[O-])ccc2O)C1(C)C 188911049 JPCNVHQLVOSULX-ZBFHGGJFSA-N 324.377 1.956 10 10 DDCE CO[C@H]1CCC[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 70490822 CPSFYMVFBZIAPJ-KBPBESRZSA-N 314.407 1.135 10 10 DDCE O=S(=O)([C@@H]1CC1(F)F)N1CCc2cc(O)c(O)cc2C1 2366932631 PMOSKHQMBCGSOH-LLVKDONJSA-N 305.302 1.193 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3N)CC2)cc1 321029087 UNZNQOBQSNXHNY-IAGOWNOFSA-N 317.433 1.861 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCCC(=O)N2)c1 194367450 AZNBRCPGFFUFPI-MFKMUULPSA-N 306.362 1.637 10 10 DDCE N[C@]1(C(=O)O)CCc2cc(I)cc(O)c21 238610320 JULCYRGOHQPZQZ-SNVBAGLBSA-N 319.098 1.182 10 10 DDCE CCN1CCN([C@@H]2CCN(Cc3ccc(OC)cc3O)C2)CC1 93133370 JUOOXDQFWIEIBN-MRXNPFEDSA-N 319.449 1.613 10 10 DDCE CCOCc1cc(CNC[C@H](O)[C@@H]2CCCO2)ccc1OC 527759322 SVBMRFVFNKZUGV-RDJZCZTQSA-N 309.406 1.861 10 10 DDCE COc1ccc(O)c(CNC(=O)NCCCN2CCOC2=O)c1 734070940 OMVXKBXFZWDRFZ-UHFFFAOYSA-N 323.349 1.042 10 10 DDCE O=C(O)c1cnn2c(O)cc(CN3CCC[C@@H]4CCC[C@@H]43)nc12 846240652 CHFHYXYRVXUCNX-GWCFXTLKSA-N 316.361 1.898 10 10 DDCE CC[C@@H](NC(=O)NCCc1ccc(N)cc1)[C@H](O)C(F)F 841955640 IWLRPJCBIQMUPR-NEPJUHHUSA-N 301.337 1.515 10 10 DDCE Cc1cc(O)c(CN2CC(n3cc(C(N)=O)nn3)C2)c(Cl)c1 840953485 SJNNWEHJCXFRAI-UHFFFAOYSA-N 321.768 1.101 10 10 DDCE Cc1ccc([C@@H](C)NC[C@@H](O)CS(C)(=O)=O)c(O)c1C 927024939 MXPKEAKGTRCODC-VXGBXAGGSA-N 301.408 1.065 10 10 DDCE CCCN(Cc1ccccc1O)C[C@@H](O)C1(O)CCOCC1 929753424 PWWOLVQYMIAHTR-MRXNPFEDSA-N 309.406 1.507 10 10 DDCE Cc1nn(C)c(C)c1C(=O)C(=O)NCc1c(O)cccc1F 928707762 BIRMLHMHWKYIMI-UHFFFAOYSA-N 305.309 1.381 10 10 DDCE Cc1nnc2n1C[C@H](C(=O)NCc1c(O)cccc1F)CC2 928706746 ZARFBSAYZABEQF-SNVBAGLBSA-N 304.325 1.310 10 10 DDCE CNCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851661742 NGAGJHROFVUQJD-CYBMUJFWSA-N 306.410 1.183 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3ccc(CN)o3)C2)cc1 852843621 CTHQOVZYOWJATN-GFCCVEGCSA-N 315.373 1.756 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC(CN(C)C)C2)c([N+](=O)[O-])c1 853651933 UYXHZUBHEHYFBC-ALCCZGGFSA-N 319.361 1.779 10 10 DDCE CCON(CC)C(=O)CNC(=O)/C=C\c1ccc(O)c(O)c1 862623661 XOADJLPYXQUZGP-VURMDHGXSA-N 308.334 1.027 10 10 DDCE COC(=O)CCN1CCC[C@H](Sc2nccs2)C1=O 1118413084 VCYWUECBPPZHHN-VIFPVBQESA-N 300.405 1.789 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNCC[C@@H](C)[S@@](C)=O)c1O 775051574 NULDGVJEZYREAB-AOUSDQRYSA-N 316.379 1.556 10 10 DDCE Cc1nc(CN2CCN(Cc3ccc(N(C)C)cc3)CC2)n[nH]1 785763455 FDCPZMSRKHVOBV-UHFFFAOYSA-N 314.437 1.497 10 10 DDCE CS(=O)(=O)[C@H]1C[C@H](NCc2cc(Cl)cc(F)c2O)C1 895688186 IDQSBZDOPQZGIC-MGCOHNPYSA-N 307.774 1.850 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCN(CC(F)F)C1 1302973075 LXJKNNJHURFSPS-NSHDSACASA-N 314.332 1.344 10 10 DDCE COc1nc(C(=O)NCc2ccc3c(c2)CCCN3C)co1 1331552431 FVEDXRZZUBNRPR-UHFFFAOYSA-N 301.346 1.996 10 10 DDCE COc1ccc(Br)c(CN[C@H]2CCNC2=O)c1O 1964049502 CUEMTPBAMAFLBD-VIFPVBQESA-N 315.167 1.141 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CCO[C@@H]4C[C@H]43)c(Br)cc21 2115157047 XLXKYDALKPFOKU-UTUOFQBUSA-N 324.178 1.379 10 10 DDCE Cc1noc(C2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C2)n1 1467760138 BQQLYGDXCXOUGF-UHFFFAOYSA-N 314.305 1.780 10 10 DDCE CC[C@@](NC(=O)c1ccc(N=NC(N)=O)cc1)(C(N)=O)C(C)C 1466780328 OJOLIJLEJXXWOS-HNNXBMFYSA-N 319.365 1.869 10 10 DDCE CNCc1ccc(N2CC3(CNC(=O)C3)C2)c(Br)c1 2119571877 AESAARVPCXQDJG-UHFFFAOYSA-N 324.222 1.495 10 10 DDCE NC(=O)c1ccc(C(=O)NCc2c(O)ccc3ccccc23)nc1 1652705724 NCHXJTUADOLHHR-UHFFFAOYSA-N 321.336 1.969 10 10 DDCE Cc1ccc(O)c([C@H](C)NCCNS(=O)(=O)C(F)F)c1 1964516142 SWVQTNSWZAQPKX-VIFPVBQESA-N 308.350 1.493 10 10 DDCE CC(C)[C@H](O)CNC(=O)NCc1ccc(N2CCOCC2)cc1 154017150 IIUYOJOQCIOEJP-MRXNPFEDSA-N 321.421 1.339 10 10 DDCE CCOC(=O)CCN(CC)C(=O)[C@@H](C)Oc1ccc(N)cc1 1860081843 DYAIEAXFGBBBNV-GFCCVEGCSA-N 308.378 1.838 10 10 DDCE CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2ccc(N)cc2)CC1 1860081887 GVGTUGYJKIFPID-LBPRGKRZSA-N 320.389 1.838 10 10 DDCE C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](CN=[N+]=[N-])C2)C1 1912167860 QAYOCQSCPFSFJW-NWDGAFQWSA-N 301.416 1.985 10 10 DDCE CS(=O)(=O)N1CC[C@@H](N2CCCC[C@@H](CN=[N+]=[N-])C2)C1 1912171182 HEWFDQWNSJZIHC-NWDGAFQWSA-N 301.416 1.433 10 10 DDCE CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)C(=O)C(C)=O 1919335367 QWDOEHQLNRSPOV-MLGOLLRUSA-N 313.394 1.933 10 10 DDCE CC[C@@H](CS(C)(=O)=O)Nc1c(N)cccc1C(=O)OC 2146300588 WMHRPTHCQJOOEE-VIFPVBQESA-N 300.380 1.291 10 10 DDCE CNC(=O)CN(Cc1ccccc1)c1ccc(CN)c(OC)c1 1994421616 CTLRDESLXUIESE-UHFFFAOYSA-N 313.401 1.907 10 10 DDCE COc1nscc1S(=O)(=O)NCc1ccccc1O 714380951 BMKLDWCXMRJLDI-UHFFFAOYSA-N 300.361 1.336 10 10 DDCE CN(C)C(=O)C1(NCc2c(O)cccc2Br)CC1 858177572 QPTAKGXEDHHIQD-UHFFFAOYSA-N 313.195 1.865 10 10 DDCE NCc1cc(F)c(N2CCO[C@@H]3C[C@@H](O)C[C@H]32)cc1Cl 2185303757 BWWYJRBTYRDRDJ-CUOATXAZSA-N 300.761 1.666 10 10 DDCE C[C@H](N)c1cc(F)c(N(C)[C@H](C)CS(C)(=O)=O)c(F)c1 2194703168 RVTZEOHHHDJSCG-BDAKNGLRSA-N 306.378 1.854 10 10 DDCE CCCN(c1ccc(CO)cc1F)[C@H]1CCS(=O)(=O)C1 2201891291 GJGGGWQQWBGOHI-LBPRGKRZSA-N 301.383 1.722 10 10 DDCE CCOC1(CO)CN(c2cc(Cl)c(OC)cc2OC)C1 2285920288 QXLPKGDXRYXDSD-UHFFFAOYSA-N 301.770 1.945 10 10 DDCE O=C(O)[C@H](CO)N1C(=O)C(=Cc2ccccc2)SC1=S 2323831397 DNJXBHMQHBCOBZ-VIFPVBQESA-N 309.368 1.333 10 10 DDCE Cc1ccc(CNC(=O)[C@]2(N)C[C@@H]2C)c(O)c1Br 2327595790 HXRALRMWZWQYIO-SDBXPKJASA-N 313.195 1.817 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)cc1Cl 2336471160 PHJYBDDLSGMCGT-RVBZMBCESA-N 300.811 1.593 10 10 DDCE C[C@H](c1cc(Cl)ccc1O)N1C[C@@H]2CS(=O)(=O)[C@H]2C1 2336552542 FEYCRQWAYGOFAG-KKFJDGPESA-N 301.795 1.835 10 10 DDCE CN(C(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(N)cc1 20374101 MVRKUXXTMKABIN-UHFFFAOYSA-N 304.371 1.949 10 10 DDCE CCN1CCC[C@@H]1CNC(=O)NCc1cccc(OC)c1O 175392685 DPEDAKFUSNSWKO-CYBMUJFWSA-N 307.394 1.684 10 10 DDCE CC[C@@H]1CN(Cc2ccc(OC)cc2O)CCN1CCOC 120973945 QCJOQDXKSJQLMV-OAHLLOKOSA-N 308.422 1.943 10 10 DDCE CN(CC(N)=O)c1ccc(/C=C/C(=O)O)cc1Br 234260476 BUPXSABHKUIQRE-HWKANZROSA-N 313.151 1.468 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(Br)cc(F)c1N 808516903 PGOKKOJYAIWHPZ-UHFFFAOYSA-N 318.098 1.485 10 10 DDCE COc1cc(Cl)cc(CN2CCN(CCO)C[C@H]2C)c1O 825337226 FCTUUFDAXAOAPM-LLVKDONJSA-N 314.813 1.553 10 10 DDCE COc1cccc(O)c1CN1CCO[C@H](CCCN(C)C)C1 827856593 QKGKMJFLXMJPGH-CQSZACIVSA-N 308.422 1.943 10 10 DDCE C/C=C/[C@@H](O)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 900999477 USQKITNUZZCPAD-RDFMZFSFSA-N 308.353 1.420 10 10 DDCE CC[C@@H](O)CC(=O)NCc1cc(Br)ccc1O 832445711 DDCDVYCCUAATCF-SNVBAGLBSA-N 302.168 1.932 10 10 DDCE c1cc(N2CCOCC2)ccc1CN[C@@H]1CC12CCNCC2 841078177 FNHNGKQOIZTKSC-QGZVFWFLSA-N 301.434 1.755 10 10 DDCE CCN(OC)C(=O)CNCc1cc(Br)ccc1O 842767882 APLIETNGRDCPNL-UHFFFAOYSA-N 317.183 1.654 10 10 DDCE CN(C)c1ccc(CNC(=O)NCC[C@@H]2CNC(=O)C2)cc1 913926358 AAPATHIWPJCKRF-ZDUSSCGKSA-N 304.394 1.078 10 10 DDCE COc1ccc(CCC(=O)NCc2ccc(O)cc2O)cn1 910957077 OVXXHFNISUGFQK-UHFFFAOYSA-N 302.330 1.750 10 10 DDCE CCCCN(CCN1C(=O)CN(C)C1=O)Cc1ccccc1O 852018185 KSPIWVBQCAEDMS-UHFFFAOYSA-N 319.405 1.888 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@H]1CC(=O)N(C2CCCC2)C1 928709558 JNQXUWSUICYSAN-NSHDSACASA-N 320.364 1.939 10 10 DDCE COc1ccc(CNC(=O)N[C@H]2C[C@H](C)n3ncnc32)c(O)c1 852478203 RJEQTZXGYSQLHK-CABZTGNLSA-N 317.349 1.498 10 10 DDCE CCNCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851664741 JKHSXFGABIHAAO-ZDUSSCGKSA-N 306.410 1.183 10 10 DDCE COC(=O)[C@@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@@H](C)O1 863306587 DZEGXCGHGGMQGH-BZNIZROVSA-N 305.374 1.643 10 10 DDCE CCn1nc(C)c(CNC(=O)N[C@@H](C)c2ccccc2O)n1 868721863 LJEOQNULJFEIEG-JTQLQIEISA-N 303.366 1.872 10 10 DDCE CO[C@@H]1CN2C(=O)N(Cc3ccc(N(C)C)cc3)C(=O)[C@]2(C)C1 865297350 SVDYANLOWLALKA-YOEHRIQHSA-N 317.389 1.694 10 10 DDCE CC[S@](C)(=O)=NS(=O)(=O)NCc1ccc(N(C)C)cc1 866426064 ZTADGUKFSCFRQY-IBGZPJMESA-N 319.452 1.205 10 10 DDCE C[C@H](NC(=O)[C@H]1CCC(=O)O1)c1ccc(N2CCOCC2)cc1 865017809 ATBAKVXGBJMNSC-SWLSCSKDSA-N 318.373 1.406 10 10 DDCE CCOc1cccc(CN2C[C@@H](C(=O)OC)O[C@H](C)C2)c1O 862486979 LMULGUHZSBPDCZ-RISCZKNCSA-N 309.362 1.553 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)C1CN(CC(F)F)C1 862026622 VGZFYAXBTWYKBI-UHFFFAOYSA-N 321.327 1.754 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)C1(O)CCOCC1 862027110 JOMFADGYXPZCDC-UHFFFAOYSA-N 302.330 1.098 10 10 DDCE CN(C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)c1ccc(N)cc1 877079987 DARHOGTWMPLSCT-SWLSCSKDSA-N 305.403 1.686 10 10 DDCE CC[C@H]1NC(=O)N([C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O 777624088 CPCRVZZLIBJOLE-SWLSCSKDSA-N 317.389 1.915 10 10 DDCE COC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 1137301788 LEBBRXHULJMPGA-INIZCTEOSA-N 321.373 1.878 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCCN(C(N)=O)CC2)cc1 1136534660 RCKHXVAYZNQYRK-UHFFFAOYSA-N 318.337 1.076 10 10 DDCE CC(=O)C(=O)C1(O)CC2(CC(CNC(=O)OC(C)(C)C)C2)C1 1960147288 FQWVYNQCGZSHOO-UHFFFAOYSA-N 311.378 1.591 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)/C=C\C(=O)N(C)C)cc1 1300279925 LBWJDOMJZWEVRU-KHPPLWFESA-N 319.405 1.234 10 10 DDCE CCC(CC)N1C[C@@H](C(=O)NCc2cc(O)ccc2O)CC1=O 1303223332 KMWFLPXMZLRMPO-LBPRGKRZSA-N 320.389 1.751 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@@H](O)C[C@@H]2CO)c(Br)c1 704631927 ABCROPNNOXEYBQ-IEBDPFPHSA-N 316.195 1.434 10 10 DDCE Cc1ccc(C(=O)Nc2cccc3c2NC(=O)CO3)c(O)c1O 1175447980 YRPYIADDQXRRGE-UHFFFAOYSA-N 314.297 1.989 10 10 DDCE O=S1(=O)CCC[C@@]12CCN(c1ccc(CO)cc1Cl)C2 709028839 RCOCOJGPMJKQTG-AWEZNQCLSA-N 315.822 1.990 10 10 DDCE O=C(CNCc1cc2c(cc1O)OCO2)NCc1ccccc1 63256023 NHKNBVVHZWGOJC-UHFFFAOYSA-N 314.341 1.527 10 10 DDCE C/C=C(/C)C(=O)NC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1354322195 MCQFMUUBQIGHDO-SDKXAQGSSA-N 321.377 1.300 10 10 DDCE C[C@H]1CCCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1351907145 FQDYXWDIIZXFKK-LBPRGKRZSA-N 302.374 1.883 10 10 DDCE CS(=O)(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1 1638353022 ZHXLHPZGOLQWPL-UHFFFAOYSA-N 321.354 1.431 10 10 DDCE Cc1cnc2c(cnn2CC(=O)NCc2ccc(O)c(O)c2)c1 1630272740 DCWKAKROXMUNMZ-UHFFFAOYSA-N 312.329 1.467 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]([C@H]1CCOC1)C(F)(F)F 1639956988 XEPJYUBCYQYUFZ-ZANVPECISA-N 319.279 1.724 10 10 DDCE COC(=O)c1cccc(CC(=O)NCc2ccc(O)cc2O)c1 1639444517 OFOYLFZDTDFQHH-UHFFFAOYSA-N 315.325 1.743 10 10 DDCE COc1cc(Cl)cc(CNCC[C@@H]2COCCO2)c1O 1967718872 ZYWQDCAMUAIAKI-GFCCVEGCSA-N 301.770 1.949 10 10 DDCE CN[C@@H](c1ccccc1O)[C@@H](O)C1CN(C(=O)OC(C)(C)C)C1 1920611768 XKDWDTJRSDOCQF-GJZGRUSLSA-N 322.405 1.881 10 10 DDCE CNCc1ccc(N2CCC[C@H]2CS(C)(=O)=O)c(F)c1 2151275196 NRDPSCGXIXRDAQ-LBPRGKRZSA-N 300.399 1.559 10 10 DDCE CN(c1ccc(CNC2CC2)cc1Cl)C1CS(=O)(=O)C1 2152231469 NJNMOHZIEAKZBZ-UHFFFAOYSA-N 314.838 1.825 10 10 DDCE CNCc1ccc(N2CC([N+](=O)[O-])C2)cc1Br 2016888424 BDDPPRHOXBQMCO-UHFFFAOYSA-N 300.156 1.634 10 10 DDCE O=C1Nc2cc(N3CC[C@@H]3CO)c(Br)cc2[C@H]1O 2031674443 BPLIZSNJHCBHAR-KSBSHMNSSA-N 313.151 1.006 10 10 DDCE COC[C@@](C)(CO)N(C)c1ccc(CO)cc1Br 689233958 SHQZLLNNBOICRN-CYBMUJFWSA-N 318.211 1.775 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)CC[S@@]1=O 2171967965 DYWIARZWNSVWMG-CQDIJFMHSA-N 313.810 1.249 10 10 DDCE NCCN(CCN)Cc1cc(Cl)cc(Br)c1O 1235878083 SJTBORBGAOLDLW-UHFFFAOYSA-N 322.634 1.528 10 10 DDCE COC(=O)C1(CNCc2cnc(SC)s2)CN(C)C1 2269095666 YNZQRSLYJCBKER-UHFFFAOYSA-N 301.437 1.059 10 10 DDCE CC[C@@]1(C(=O)O)C[C@H]1C(=O)NCc1cnc(SC)s1 2269122931 ZEPZVMSCLROHCH-QPUJVOFHSA-N 300.405 1.982 10 10 DDCE CSc1ncc(CNCc2cccnc2C(=N)NO)s1 2284540206 ZMEKXHXQQWGJAS-UHFFFAOYSA-N 309.420 1.854 10 10 DDCE CC(C)N1C(=O)N=C(O)/C(=C/Nc2cccc3nonc23)C1=O 102714006 JBCHXEKKOSQYNM-VURMDHGXSA-N 315.289 1.846 10 10 DDCE CN1C(=O)C(=Cc2c[nH]c(-c3ccccc3)n2)C(=O)N(C)C1=O 172813889 LPESMRBDFSYFLY-UHFFFAOYSA-N 310.313 1.511 10 10 DDCE CCOC(=O)c1ccc(NC(=O)c2cc(O)nc(O)c2)cc1 170223018 DEOATNFEKJLVLE-UHFFFAOYSA-N 302.286 1.922 10 10 DDCE COC(=O)[C@@H](C)CC(=O)NCCCSc1nccs1 178276883 DFOBQLVKKIRODR-VIFPVBQESA-N 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CC[C@@H](CN1CCOCC1)NC(=O)N1Cc2cccc(O)c2C1 925615654 HGTSRYNOXJSJIM-AWEZNQCLSA-N 319.405 1.528 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)C[C@@H](C)N)C2)cc1 851668824 YTYBWZHQKMJCHW-MCIONIFRSA-N 320.437 1.699 10 10 DDCE Cc1ccc(O)c(CNCCS(=O)(=O)CC(F)(F)F)c1 850364759 RNWMJDBYVKLXAL-UHFFFAOYSA-N 311.325 1.767 10 10 DDCE COc1ccc(CNC(=O)N[C@@H]2[C@@H]3C[C@H]4[C@H](CO[C@H]42)C3)c(O)c1 868907027 OFMADVNKQAKPKZ-XNHOIOAFSA-N 318.373 1.623 10 10 DDCE COC(=O)c1cnc(CN2CCCc3cc(CN)ccc32)cn1 863539742 IXLNQUOQEWGEFV-UHFFFAOYSA-N 312.373 1.675 10 10 DDCE CC(C)(O)C[C@H](O)CNCc1ccc(N2CCC(O)CC2)cc1 872215725 GYEMDCQQGFVXQT-KRWDZBQOSA-N 322.449 1.259 10 10 DDCE Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nc(C)n1 773742024 OYOSHXFAALUCGL-VIFPVBQESA-N 301.346 1.866 10 10 DDCE C=CS(=O)(=O)CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1121103782 XPLWORSXFAPDAH-LBPRGKRZSA-N 310.419 1.878 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCNC(=O)C1 1135800985 ZAJNYTXHODKCLQ-OAHLLOKOSA-N 315.417 1.771 10 10 DDCE 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O=C1Nc2cc(N3CC(F)(F)C3)c(Br)cc2[C@@H]1O 1916986324 CXVBMGSHIADXME-VIFPVBQESA-N 319.105 1.890 10 10 DDCE OCC1(CNCc2cccc(Br)c2O)COC1 123046851 KIUXNASDTWPPPM-UHFFFAOYSA-N 302.168 1.253 10 10 DDCE CSC[C@H](C)N(C)S(=O)(=O)CCOc1ccc(N)cc1 123714851 HSYXFHJKCRSIBR-NSHDSACASA-N 318.464 1.661 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc([C@H]2COCC(=O)N2)c(O)c1 1952420555 WITUHAVSAAKFMG-LLVKDONJSA-N 308.334 1.927 10 10 DDCE Cc1cccc(O)c1CNCCNS(=O)(=O)C(F)(F)F 2160787327 HRZKRZWKORWHLX-UHFFFAOYSA-N 312.313 1.229 10 10 DDCE O=C(O)[C@H]1COCCN1Cc1ccc(Br)cc1O 691423417 QRSUJXCTIADRHV-SNVBAGLBSA-N 316.151 1.440 10 10 DDCE CC[C@]1(CO)CCCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2063185961 VZQPTCWUOLGTDQ-INIZCTEOSA-N 318.377 1.368 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@@H]3c3ncc[nH]3)c2n1 2063653635 SWIBEYGRGJLLOT-LLVKDONJSA-N 312.333 1.444 10 10 DDCE CC(C)S(=O)(=O)CCN(C)c1c(F)cc(CN)cc1F 2170437833 SYVDRCIRSWAYBA-UHFFFAOYSA-N 306.378 1.683 10 10 DDCE N=S1(=O)CC2(CN(c3ccc4c(c3)OC(F)(F)O4)C2)C1 2182736025 PCZZGUCRPIKVGL-UHFFFAOYSA-N 302.302 1.875 10 10 DDCE CN(CP(C)(C)=O)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 2198572848 HSSSZVABAGYOCR-JTQLQIEISA-N 300.295 1.006 10 10 DDCE COCC[S@](=O)CCN[C@H](C)c1ccc(OC)cc1O 2207028116 VELGKGQRQCBPFI-BIBXISHDSA-N 301.408 1.447 10 10 DDCE O=[N+]([O-])c1cc(NS(=O)(=O)[C@H]2CCC[C@@H]2F)ccc1O 2236168552 QGGNIMUIDPZMST-KWQFWETISA-N 304.299 1.933 10 10 DDCE Cn1cc(C=C2CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cn1 2296646112 QVIBMHQUKFDIHY-UHFFFAOYSA-N 323.312 1.983 10 10 DDCE C[C@H](CNC(=O)OC(C)(C)C)CC(=O)C(=O)C[C@H]1C[C@H](N)C1 1893865210 WHULPISXJXBLPN-SRVKXCTJSA-N 312.410 1.803 10 10 DDCE CO[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[C@H]1C 302536226 GMUVKJBYCLJGDY-YMTOWFKASA-N 321.333 1.787 10 10 DDCE C[C@@H]1CN(Cc2c(O)ccc3ccccc23)C[C@H](C(N)=O)O1 120293832 MCTZBPYKKMHGOP-BDJLRTHQSA-N 300.358 1.620 10 10 DDCE CO[C@@H](CCS(C)(=O)=O)CNCc1ccc(C)cc1O 2364092195 LEDUWCCUHDRASX-ZDUSSCGKSA-N 301.408 1.240 10 10 DDCE CN1CCN(c2ccc(CN3CC[C@@]4(O)C[C@H]4C3)cc2)CC1 827291935 NTADKWOHIHAAAN-FUHWJXTLSA-N 301.434 1.395 10 10 DDCE COC[C@]1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCOC1 825736689 GOGZENHUYPDHGT-MEDUHNTESA-N 309.362 1.631 10 10 DDCE C[C@H]1CN(CCO)CCN1Cc1cc(Cl)c(F)cc1O 825338604 QZLJOZMZEIQPQF-JTQLQIEISA-N 302.777 1.683 10 10 DDCE COC(=O)[C@@H]1CC[C@H](C(=O)NCc2cccc(OC)c2O)C1 839632493 IRGQIVRQRFSSFH-WDEREUQCSA-N 307.346 1.606 10 10 DDCE CCOc1ccc(O)c(CN2CN(CCN(C)C)C(=O)[C@H]2C)c1 843428507 JYURTTWZZLUHPJ-CYBMUJFWSA-N 321.421 1.343 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)NCC2(C)COC2)cc1 844971617 BRNLAEHTWURECL-UHFFFAOYSA-N 321.421 1.809 10 10 DDCE COC[C@H](CCN[C@H](C)c1cc(C(=O)OC)ccc1O)OC 850485447 IFAYZTIRAAYUIV-YPMHNXCESA-N 311.378 1.881 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H]3[C@H]4C[C@@H]5CN[C@@H]3[C@H]5C4)C2)cc1 925710943 CPJFYJNFOYABNY-LZALDCCUSA-N 313.445 1.860 10 10 DDCE COCc1n[nH]c(CNC(=O)NCc2ccc(N(C)C)cc2)n1 853245498 ZZMSWPBIQNRNHV-UHFFFAOYSA-N 318.381 1.017 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@H]4C[C@@H]43)C2)cc1 852448553 KLLGJAKNFGSKGG-RCBQFDQVSA-N 317.389 1.457 10 10 DDCE Nc1ccc(NC(=O)C(=O)N[C@H](C2CCC2)[C@H]2CCOC2)cc1 868300304 GUHHYFYFUHVUGU-SWLSCSKDSA-N 317.389 1.529 10 10 DDCE CC(=O)N1CCC(CNC(=O)N2Cc3cccc(O)c3C2)CC1 875244154 RXIBDWVJJUNINW-UHFFFAOYSA-N 317.389 1.676 10 10 DDCE Cc1cc(CC(=O)NC[C@@H](O)[C@@H](C)O)c(C)n1-c1ccccc1 871142535 JGFDCRFPMXGNPF-RHSMWYFYSA-N 316.401 1.495 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@]1(CCO)CCOC1 779533573 JVJUNXPZSQJSAI-OUMXJLHTSA-N 307.346 1.016 10 10 DDCE CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CN2CCC1CC2 779515813 CEBPNIVVVVKHCG-MFBWXBCUSA-N 302.374 1.664 10 10 DDCE CCc1cccc(CN2CCC(O)(COCCO)CC2)c1O 895828564 AVFMYBNPAHEPKW-UHFFFAOYSA-N 309.406 1.290 10 10 DDCE C[C@H](NC(=O)[C@H](O)Cc1cnn(C)c1)c1ccc(N(C)C)cc1 787300598 RCMXOQXFNRCTAQ-BLLLJJGKSA-N 316.405 1.267 10 10 DDCE COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/N)SC 1080695164 GJJNAJZWODKVBE-SEYXRHQNSA-N 305.359 1.486 10 10 DDCE O=S1(=O)CCC[C@@H]1CCNCc1cc(F)cc(F)c1O 714341923 IZVHAZSFWJZSDW-LLVKDONJSA-N 305.346 1.727 10 10 DDCE C[C@@H]1[C@@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C 1332351001 BBTONAALCIMKAX-PBHICJAKSA-N 320.456 1.760 10 10 DDCE CS(=O)(=O)c1ccc(/C=C/C(=O)NCc2ccccc2O)o1 1294925980 WEDPCBDXGGDNPQ-SOFGYWHQSA-N 321.354 1.718 10 10 DDCE Cc1ccc2c(c1)OCCN2C(=O)c1ccnc2c1CC(=O)N2 1465571667 UGUUCFDPIMVKQA-UHFFFAOYSA-N 309.325 1.924 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)[C@@H](O)c1cccnc1 1638573331 SAYRDTLRSKSOAH-INIZCTEOSA-N 309.325 1.685 10 10 DDCE COC(=O)c1cc(F)cc(C(=O)NCc2cccc(O)c2O)c1 1633515815 RJMFSJFIVFOTBW-UHFFFAOYSA-N 319.288 1.954 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccn2nnnc2c1 1568737773 MNEPHLPUDMPPAU-UHFFFAOYSA-N 318.333 1.246 10 10 DDCE COc1ccc(CNC(=O)Cn2ncc3cccnc32)c(O)c1 1635041966 GSTFVWHXSWFQLY-UHFFFAOYSA-N 312.329 1.462 10 10 DDCE O=C(NCc1ccc(O)cc1O)C1(n2cnnn2)CCCCC1 1643103780 FNMRXNQUOBXBKS-UHFFFAOYSA-N 317.349 1.060 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cccc(Cn2cncn2)c1 1651175706 JNNJQRPQVNDNGS-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC/C=C/CNCCCO)cc1 1669214157 OFHZPFUVENBRIQ-VLMVISHWSA-N 319.365 1.107 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)C2=COCCO2)cc1C 1662155501 BLOZTFWWWHFADJ-CYBMUJFWSA-N 320.389 1.486 10 10 DDCE COc1ccc(CNC(=O)N[C@@H]2CCC3(C2)OCCO3)c(O)c1 1671045070 BQZLDBVKPSSPCY-GFCCVEGCSA-N 322.361 1.496 10 10 DDCE COc1ccc(CN2CCN(c3cnccn3)CC2)c(O)c1 157948439 DBTSBTUKIUIYTG-UHFFFAOYSA-N 300.362 1.513 10 10 DDCE COc1ccc(N2CCN(C(=O)CCCCCN)CC2)cc1 35491355 HOKAXKZAGMIIHR-UHFFFAOYSA-N 305.422 1.863 10 10 DDCE [N-]=[N+]=N[C@H]1CCCN(CCOC2CCS(=O)(=O)CC2)C1 1912156121 SKVSHMWPIFDKOV-NSHDSACASA-N 302.400 1.355 10 10 DDCE CN1C(=O)[C@H](N)c2ccc(N(CC(N)=O)Cc3ccccc3)cc21 1946836442 WBZYEQWVMOMTDP-QGZVFWFLSA-N 324.384 1.155 10 10 DDCE CC(C)(C)OC(=O)N[C@@]1(c2cccc(O)c2O)C[C@@H]1C(=O)O 1952771679 CLPCMLRDDGLHEO-RFAUZJTJSA-N 309.318 1.922 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1CCC1 1980371771 XACSRYGJIDXQKG-MPKXVKKWSA-N 324.421 1.945 10 10 DDCE CS(=O)(=O)C[C@H]1CCCN1Cc1cc(F)cc(F)c1O 2151231404 WQADGCAJNUOKPB-LLVKDONJSA-N 305.346 1.679 10 10 DDCE NCc1ccc(N2CCOC[C@@H](O)C2)cc1Br 399912037 FXMFBPNSFOXGKJ-NSHDSACASA-N 301.184 1.105 10 10 DDCE C[C@H](NS(=O)(=O)c1csc(CO)c1)c1ccccc1O 2192627752 MYYKHEKHNYQZGY-VIFPVBQESA-N 313.400 1.986 10 10 DDCE C[C@H](O)c1ccc(N2CC(=O)NC[C@H]2C)c(Br)c1 2060842293 HTSXEVBPHHEUFE-BDAKNGLRSA-N 313.195 1.827 10 10 DDCE CN(c1ccc(CN)cc1Br)[C@H]1CCC(=O)NC1 2063568759 FHSYWUYGGXUSPS-JTQLQIEISA-N 312.211 1.623 10 10 DDCE NCc1ccc(N2CCNC(=O)C23CC3)cc1Br 2068292817 BONXFIOASLDORL-UHFFFAOYSA-N 310.195 1.377 10 10 DDCE Cc1cc(O)nc(=NCc2cccc(Br)c2O)[nH]1 2072656220 PUMYOMQDFRMGED-UHFFFAOYSA-N 310.151 1.993 10 10 DDCE Cc1cccc(CN=c2[nH]c(Br)cc(=N)[nH]2)c1O 2084063910 MCPPSJDEBXKGJQ-UHFFFAOYSA-N 309.167 1.700 10 10 DDCE Cc1nc(Sc2ncc(C(N)=O)s2)sc1C(=O)O 2218531321 LINIESMCNLHHEX-UHFFFAOYSA-N 301.374 1.856 10 10 DDCE COc1cc(OC)c(N2CC[C@@H](O)[C@@](C)(O)C2)cc1Cl 2285907735 ZYMKHRSZCWMFQA-KGLIPLIRSA-N 301.770 1.679 10 10 DDCE CSc1ncc(CNC[C@@H](N)[C@@H](O)C(F)(F)F)s1 2257131725 BEJMUJBPAGVDKU-RNFRBKRXSA-N 301.359 1.205 10 10 DDCE COC(=O)NC[C@@H](C)NCc1ccc(Br)cc1O 2258234883 XHFOFIGKUUNPPX-MRVPVSSYSA-N 317.183 1.989 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H]3C[C@]3(C(=O)O)C2)s1 2284503989 ILXZWWXEBOQHFR-KRTXAFLBSA-N 313.404 1.481 10 10 DDCE Cc1ccc(CNC(=O)[C@@H](C)CN)c(O)c1Br 2307467199 VRTWKQBRFRJWPO-QMMMGPOBSA-N 301.184 1.674 10 10 DDCE Cc1ccc(CNC[C@@H]2CNCCO2)c(O)c1Br 2327628969 MSNJEFHWDCAUNZ-NSHDSACASA-N 315.211 1.541 10 10 DDCE CC(=O)N(C(=O)C(=O)Nc1ccc(F)cc1)c1ccc(N)cc1 170318309 UQZGIVCTRAKQAT-UHFFFAOYSA-N 315.304 1.926 10 10 DDCE CCCN[C@H](C)c1ccc(N(C)CCS(C)(=O)=O)cc1O 94298823 XDLSIWQVQXABHK-GFCCVEGCSA-N 314.451 1.934 10 10 DDCE CCn1ncc(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)n1 528090031 RPLADHWHPRBNAR-SNVBAGLBSA-N 319.365 1.573 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2CN(C(C)C)C[C@H]2C)c1O 246542378 VNAIUJREOZDKOB-TZMCWYRMSA-N 321.421 1.929 10 10 DDCE C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)OCC(=O)C(C)=O 808499880 QGWGMUXXSGIOCU-JTQLQIEISA-N 301.298 1.203 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1csc(-c2ccc(C)o2)n1 808502195 ZZRLQCSLIVFHOO-UHFFFAOYSA-N 307.327 1.955 10 10 DDCE COC(=O)COc1ccc(N(C)Cc2cc(C)ncn2)cc1 293115989 KFEWJKJHAGLWJH-UHFFFAOYSA-N 301.346 1.973 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(OCC(F)(F)F)cn1 808541803 RQVNAWJVMWKAGG-UHFFFAOYSA-N 305.208 1.338 10 10 DDCE Nc1ccc(CS(=O)(=O)NCCC(F)(F)C(F)F)cc1 2166639387 HNOJPCIEAPTHFO-UHFFFAOYSA-N 314.304 1.979 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](O)C1CCC1 824119143 CSIFXDYYDNJHLA-KRWDZBQOSA-N 318.417 1.643 10 10 DDCE CCN(C)C[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 588405847 WCAUISDJWJELRP-VSKVDJIOSA-N 304.390 1.911 10 10 DDCE Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(O)c1O 832831277 HLXXSYFWXNHDES-HOSYDEDBSA-N 304.346 1.132 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)C(C)(C)C(=O)O)cc1 846714877 CIPBQRNYIVQHHL-UHFFFAOYSA-N 308.378 1.701 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC1COC1 858543518 KIVFRUQMMFUXOR-CYBMUJFWSA-N 305.422 1.938 10 10 DDCE Nc1ccc(NC(=O)N[C@H]2CCCN3CCSC[C@@H]23)cc1 926141442 DHTJFQXPHWQUNV-KBPBESRZSA-N 306.435 1.970 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3ccc(N)cn3)C2)cc1 851639332 DBCOKVRNHCVARV-CYBMUJFWSA-N 312.373 1.681 10 10 DDCE OCCO[C@@]1(CNCc2c(O)cccc2Cl)CCOC1 850358721 VGBIKWYCSBKAMU-CQSZACIVSA-N 301.770 1.303 10 10 DDCE C[C@@H](NC[C@]1(OCCO)CCOC1)c1cc(Cl)ccc1O 850508792 OHTOJJGOQGGTAP-IAQYHMDHSA-N 315.797 1.864 10 10 DDCE C[C@@H](CN(C)CCCN(C)C)NC(=O)NCc1ccccc1O 853570469 PNYAZSAPUGZMLJ-AWEZNQCLSA-N 322.453 1.463 10 10 DDCE C[C@H](N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cc([N+](=O)[O-])ccc1O 756733465 ROPSFSIKOWGVJT-DEKYYXRVSA-N 319.361 1.960 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCC[C@H](C)OC)C2)cc1 852065678 IMMLLUUJURDJBN-UONOGXRCSA-N 321.421 1.998 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(C)CCNC3)C2)cc1 851640531 XJPJATYZJUALJE-DYVFJYSZSA-N 303.406 1.390 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C[C@@H](C)O)C2)cc1 854299072 KPPWHKYAKJWHGQ-MJBXVCDLSA-N 321.421 1.733 10 10 DDCE COCCOCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855229553 ANOBNYXHDAAVOU-CYBMUJFWSA-N 308.378 1.053 10 10 DDCE CCn1nc(C)c(S(=O)(=O)N2Cc3cccc(O)c3C2)c1C 867691423 WDCKBJGNWWHFSD-UHFFFAOYSA-N 321.402 1.930 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3[C@H]4OCCC[C@@H]43)CC2)cc1 779718313 LHMCABJKWAIMKE-ZACQAIPSSA-N 316.401 1.769 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCNC(=O)CC23CCC3)c1O 880170375 PUPZRYVLMCVJTQ-UHFFFAOYSA-N 320.364 1.979 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@@H](C)CO3)C2)cc1 892686112 RKWDYTVWLGFVLM-DVOMOZLQSA-N 304.390 1.815 10 10 DDCE COC(=O)c1cnc(CNCc2ccc(OC)cc2O)s1 894638175 QHGAOUNFNKOOPU-UHFFFAOYSA-N 308.359 1.934 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)CCC(=O)NC2)c1 798980641 WKSSVEHDGZTFOI-QFYYESIMSA-N 306.362 1.494 10 10 DDCE C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cc(O)ccc1O 1153879607 REFBJASYCCODKB-QFYYESIMSA-N 315.325 1.943 10 10 DDCE COC(=O)c1ccc(CC(=O)NCc2cccc(O)c2O)cc1 1303194497 FFJXSNKGXDRQIB-UHFFFAOYSA-N 315.325 1.743 10 10 DDCE COC[C@H]1C[C@@H](O)CN1C(=O)c1ccc(N=NC(N)=O)cc1 1164626590 JYUIZLZZVIZFLA-VXGBXAGGSA-N 306.322 1.071 10 10 DDCE C[C@H]1CC(F)(F)CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1332056858 JNZLUENCUXPDNV-JTQLQIEISA-N 324.327 1.881 10 10 DDCE C[C@H]1CSCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1330418433 OCUUKGQNGWAZFR-JTQLQIEISA-N 306.387 1.198 10 10 DDCE COc1ccnc(CNC(=O)NCc2ccccc2O)c1F 1253243066 QAIPPCOOUUAVCG-UHFFFAOYSA-N 305.309 1.934 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)[C@H]2CCCN2C)cc1C 1265758797 KCCHLFZBTFKXSQ-GDBMZVCRSA-N 319.449 1.692 10 10 DDCE CCOc1cc(CN2CCN(C)CC2)ccc1N1CCNCC1 212641282 PUWUBZFQMGZYEE-UHFFFAOYSA-N 318.465 1.242 10 10 DDCE C[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1n1ccnc1 1630404908 YIRMFHFPFCLOJU-OCCSQVGLSA-N 315.373 1.947 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2ccc(-n3cncn3)nc2)c1 1584983716 RUFXHPIZHUBRPS-UHFFFAOYSA-N 309.329 1.606 10 10 DDCE CCOc1ccc(N2CCN(C[C@H](O)C(C)(C)O)CC2)cc1 1652964182 HZEMXCQPBHBDEJ-INIZCTEOSA-N 308.422 1.339 10 10 DDCE O=C(NCc1nc(-c2ccccn2)n[nH]1)NCc1ccccc1O 1681107839 RFBJJXDZQCHANF-UHFFFAOYSA-N 324.344 1.572 10 10 DDCE Cc1nccnc1CCNC(=O)N(C)Cc1ccccc1O 1686616206 KQKRFQISUGEDJJ-UHFFFAOYSA-N 300.362 1.875 10 10 DDCE CNC(=O)[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)CCO1 19745270 YJRJVNXLOCQTOU-INIZCTEOSA-N 303.406 1.016 10 10 DDCE COC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(N)cc1 322110203 OMLDEKRPOUHIDO-INIZCTEOSA-N 312.369 1.712 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NCc1ccc(N)cc1 1939201528 ZMVURVFQFRTVOQ-DZGCQCFKSA-N 321.421 1.898 10 10 DDCE CS[C@@H]1CCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 235176457 SSNFMCHDCFFYDY-QWHCGFSZSA-N 300.449 1.972 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(c2ccc(O)c(O)c2)C[C@@H]1C(=O)O 1952774509 IALBAEDHAZQWFI-PSLIRLAXSA-N 309.318 1.922 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc([C@]2(N)C[C@@H]2C(=O)O)c1O 1952996156 NCJCQYWMZMCJKW-RFAUZJTJSA-N 308.334 1.998 10 10 DDCE C[C@@H](NC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1ccccc1O 1989687971 WRXWXYRUWRBPGT-ZWNOBZJWSA-N 324.377 1.455 10 10 DDCE NC(=O)[C@@H]1C[C@H](N)CN(Cc2cc(Cl)cc(Cl)c2O)C1 2151020678 FBJRIQQXCLEDEW-SCZZXKLOSA-N 318.204 1.334 10 10 DDCE CCC[C@H](NCc1cccc(Br)c1O)C(N)=O 2013573204 XWLBYIWJAFQQNM-JTQLQIEISA-N 301.184 1.898 10 10 DDCE CCSC1CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 2153905880 VLUGCLRDVBJNGH-UHFFFAOYSA-N 316.448 1.415 10 10 DDCE NCc1ccc(N2CCCC2(CO)CO)cc1Br 2029374281 RKNTXRUQYKQLKP-UHFFFAOYSA-N 315.211 1.231 10 10 DDCE N[C@@H]1CN(Cc2c(O)cccc2Br)[C@@H]2COC[C@H]12 2040555061 QKXKYWMYZGSFIQ-YUSALJHKSA-N 313.195 1.313 10 10 DDCE Cc1cnc(NS(=O)(=O)CCOc2ccc(N)cc2)s1 70490496 UTJVWMRVQLCACV-UHFFFAOYSA-N 313.404 1.854 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)c1ccc(CNC)cc1F 2170567842 QXXZLOUTKBJARN-LLVKDONJSA-N 302.415 1.805 10 10 DDCE CN[C@@H](C)c1ccc(N(C)[C@@H](C)CS(C)(=O)=O)c(F)c1 688547191 HJKSOOUBLMFUCC-QWRGUYRKSA-N 302.415 1.975 10 10 DDCE NC(=O)N1CCN(Cc2cc(Br)ccc2O)CC1 722180168 MUFOAEDWFGNUDF-UHFFFAOYSA-N 314.183 1.351 10 10 DDCE CNC(=O)NCCNCc1cc(Br)ccc1O 397441634 SBWIEIPZTIOEFS-UHFFFAOYSA-N 302.172 1.173 10 10 DDCE C[C@H](O)[C@@H]1CN(c2ccc(CO)cc2Br)CCO1 2053842575 IPPNEMZPELBVTG-ZANVPECISA-N 316.195 1.527 10 10 DDCE CN(c1ccc2c(c1)NC(=O)[C@H]2O)C1CSCCSC1 2237054727 PNHOTUXHVSOFTD-ZDUSSCGKSA-N 310.444 1.957 10 10 DDCE Oc1c(Br)cccc1CNCC1(O)CSC1 2243462099 KCDJSOXRLKTRJY-UHFFFAOYSA-N 304.209 1.722 10 10 DDCE COC(=O)C(C)(C)CS(=O)(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2290075173 XPZGOBUDNFAAAZ-BDAKNGLRSA-N 304.372 1.336 10 10 DDCE NC(=O)c1cccc(CNC(=O)C=Cc2ccc(O)c(O)c2)c1 2307986157 BSCYCCJEBOEFIE-UHFFFAOYSA-N 312.325 1.526 10 10 DDCE CCN(CC(=O)O)C(=O)C=Cc1ccc(N2CCOCC2)cc1 2311972702 OHCUTLSIWTZGFO-UHFFFAOYSA-N 318.373 1.470 10 10 DDCE C[C@@H](O)c1ccc(N2CC([C@@H](O)CO)C2)c(Br)c1 2315277015 WWIQBYWAVMFZQU-OQPBUACISA-N 316.195 1.292 10 10 DDCE COC(=O)c1cnc(S[C@@H]2CC[C@H](S(C)(=O)=O)C2)s1 2342085136 SAWAERFPCRWJKR-SFYZADRCSA-N 321.445 1.988 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCNC[C@@H]2C)s1 2346911310 RCFPSKWBPSORTI-QPUJVOFHSA-N 301.437 1.407 10 10 DDCE CC[C@H]1NCC[C@@]1(NCc1cnc(SC)s1)C(=O)O 2350347476 HDWZKRTWBCPWSW-SKDRFNHKSA-N 301.437 1.550 10 10 DDCE CN1CCO[C@@H](CNC(=O)NCc2ccc(N(C)C)c(F)c2)C1 104798740 XMBIRZBSOWILFH-ZDUSSCGKSA-N 324.400 1.022 10 10 DDCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1ccc(Br)cn1 135326157 CYVDNEHPODPTSG-VIFPVBQESA-N 313.159 1.661 10 10 DDCE C[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1894057274 CAALRSUHSYVHJB-LDMQVWGESA-N 310.394 1.555 10 10 DDCE CC(C)(Br)C(=O)NCCc1ccc(O)c(O)c1 117383536 YZHVKNUUVCDPAU-UHFFFAOYSA-N 302.168 1.930 10 10 DDCE Cc1nc(C2(NC(=O)c3cccc(O)c3O)CCCC2)no1 188254543 FBCILOXJIKRXHC-UHFFFAOYSA-N 303.318 1.989 10 10 DDCE CCc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(C)c(O)c1O 182588204 NBTUBKFRGZKWPK-NSHDSACASA-N 316.361 1.825 10 10 DDCE COC1CCN(S(=O)(=O)CCOc2ccc(N)cc2)CC1 70490594 KDVSKKBYTFISJG-UHFFFAOYSA-N 314.407 1.088 10 10 DDCE CC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 41365144 FJFTXXGRKGTBSK-QGZVFWFLSA-N 315.417 1.914 10 10 DDCE CNCc1ccc(N2CCCNC(=O)C2)c(Br)c1 234434478 FFALSHYKKRKEKN-UHFFFAOYSA-N 312.211 1.495 10 10 DDCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccc(Cl)nc1 149619929 HHTKBRFHWCIUTN-JTQLQIEISA-N 307.737 1.655 10 10 DDCE C[C@@H]1CN2CCC[C@H]2CN1C(=O)/C=C/c1ccc(O)c(O)c1 245688082 JVSGFQVUVWFVKY-FROLJDDGSA-N 302.374 1.806 10 10 DDCE CNC(=O)NC[C@H]1CN(Cc2cc3c(cc2O)CCC3)CCO1 530101717 CQISREFWQJHWIP-HNNXBMFYSA-N 319.405 1.011 10 10 DDCE CCOc1cccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1O 363263805 BTXBIJJITZNADP-YUTCNCBUSA-N 304.390 1.890 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCCc2nc(C)no2)c1 273548879 ZZXGUJLOMIECGO-VIFPVBQESA-N 305.334 1.764 10 10 DDCE Nc1ccc(CNS(=O)(=O)c2ccsc2C(=O)O)cc1 2162461390 OOERXQDGFYCRPB-UHFFFAOYSA-N 312.372 1.507 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1ccc(F)c(Br)c1 808507070 XUVJLGPCAQRRNV-UHFFFAOYSA-N 317.110 1.832 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](O)c1ccc(Br)cc1 808518817 PMNWVNLQQSPVGJ-LLVKDONJSA-N 315.119 1.184 10 10 DDCE C[C@@H]1[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1C 915390799 QMZWZBUSYDENMF-CJNGLKHVSA-N 316.449 1.961 10 10 DDCE C[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)C1CCCC1 842039441 OPAGGBFAKUYWNW-LBPRGKRZSA-N 303.406 1.622 10 10 DDCE Cc1cc(O)c(CN[C@H]2CCN(S(C)(=O)=O)C2)c(Cl)c1 846030515 FCPCDWGPZGKVST-JTQLQIEISA-N 318.826 1.478 10 10 DDCE COc1cc(CN2CCN(c3nncn3C)CC2)c(O)cc1C 848497634 OXJXRIVGMHQPPC-UHFFFAOYSA-N 317.393 1.160 10 10 DDCE COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Cc1ccc(N)cc1 843492123 POPLZBCCZJGFLN-NOLJZWGESA-N 302.374 1.611 10 10 DDCE Cc1nn(C)c(=O)c(C(=O)NCc2c(O)cccc2F)c1C 928704511 AKUMITCPMZMMDY-UHFFFAOYSA-N 305.309 1.172 10 10 DDCE CC(=O)N1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 939943521 AKUDZKOXKKXUEI-UHFFFAOYSA-N 317.349 1.543 10 10 DDCE Oc1c(F)cc(Cl)cc1CN1CCN(c2nccnn2)CC1 862442572 IODWXNUWYVYTJF-UHFFFAOYSA-N 323.759 1.692 10 10 DDCE COC[C@H](C)OC(=O)NCc1ccc(N2CCOCC2)cc1 866582374 JKNLPUMXBLUMOC-ZDUSSCGKSA-N 308.378 1.784 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCc2nncn2C1 935945688 HABZLGLRBBPOJL-LLVKDONJSA-N 321.377 1.348 10 10 DDCE Cn1cncc1[C@@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 1149212966 GSMGUGINFBTHFF-LLVKDONJSA-N 316.321 1.046 10 10 DDCE C[C@@H](CCCNCCO)NC(=O)c1ccc(N=NC(N)=O)cc1 1330986340 CREHHBYVPKBKTL-NSHDSACASA-N 321.381 1.329 10 10 DDCE CNC(=O)N[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2O)C1 1197758736 LELRAKUDEBDPRH-ZDUSSCGKSA-N 323.368 1.627 10 10 DDCE CN(C(N)=O)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1448814658 NIHWPRGOHQGTTI-UHFFFAOYSA-N 315.329 1.794 10 10 DDCE C[C@@H](CC(=O)NCCc1ccc(O)c(O)c1)c1cnn(C)c1 1445940677 VRXHOUQNCSALQZ-NSHDSACASA-N 303.362 1.684 10 10 DDCE Cc1nc(C(C)C)nc(O)c1C(=O)NCc1ccc(O)cc1O 1451770785 REDDKPTZIGXSMJ-UHFFFAOYSA-N 317.345 1.955 10 10 DDCE COC(=O)c1cnn(CC(=O)NCc2cc(Cl)ccc2O)c1 1469877567 RFJQWGQYDBWQGY-UHFFFAOYSA-N 323.736 1.345 10 10 DDCE Cn1nc(C(=O)NCc2cc(O)ccc2O)c2c1CCCC2 1471662051 MDMCMLBFMPBBPQ-UHFFFAOYSA-N 301.346 1.640 10 10 DDCE C[C@@H](CN1CCOCC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1625627201 KGXWUGCLZJBXOC-NSHDSACASA-N 319.365 1.300 10 10 DDCE COc1ccc(CNC(=O)[C@@](C)(O)c2ccccc2)c(O)c1 1626079690 LHZFIYHXNAJYBM-KRWDZBQOSA-N 301.342 1.925 10 10 DDCE CCOC(=O)COCCNC(=O)c1ccc(N=NC(N)=O)cc1 1636894450 DKLQSSMMGDMENQ-UHFFFAOYSA-N 322.321 1.159 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CN3CCC2CC3)cc1 1636747497 IHWBTKMZDATOCU-CYBMUJFWSA-N 315.377 1.921 10 10 DDCE COc1cccc2c(C(=O)NCc3cc(O)ccc3O)n[nH]c12 1637126352 UIWFLBCRQDNXNL-UHFFFAOYSA-N 313.313 1.913 10 10 DDCE COC(CNC(=O)c1cccc(O)c1O)(OC)c1ccccc1 1641658607 QUTSBELOFOOXCK-UHFFFAOYSA-N 317.341 1.973 10 10 DDCE C[S@](=O)[C@@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 1654841839 CKKQGQCHLSYUKY-UAXAAPNGSA-N 301.339 1.266 10 10 DDCE COCCCOCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1597634292 GZAQFXFRJPPKCD-UHFFFAOYSA-N 322.365 1.974 10 10 DDCE COCCN1CCCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 1772911321 YKPCBKZCPUGKGM-XQRVVYSFSA-N 320.389 1.292 10 10 DDCE CN([C@@H]1CCN(Cc2cccc(Cl)c2O)C1)S(C)(=O)=O 2146951811 GVDOOJNVOIRBSI-LLVKDONJSA-N 318.826 1.511 10 10 DDCE CN(C)Cc1cc(C[C@H](CN)NC(=O)OC(C)(C)C)ccc1O 1952551017 CYSOPQOXIMQCOQ-CQSZACIVSA-N 323.437 1.848 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H]1[C@@H](N)Cc1ccc(O)c(O)c1 1952964750 OLHKBQMMYHOVLU-NWDGAFQWSA-N 308.378 1.977 10 10 DDCE COC[C@@H]1CNCCN1Cc1c(O)cccc1Br 2028147306 JFSSTWPPNJSCJB-JTQLQIEISA-N 315.211 1.575 10 10 DDCE CS(=O)(=O)N[C@H]1CCCN(c2ccc(CN)cc2Cl)C1 702985657 SSOIBJZZRUTQEE-NSHDSACASA-N 317.842 1.317 10 10 DDCE CCOC[C@@H](O)CNCc1c(O)cccc1Br 706807807 GUNVYRKNAPQWQX-VIFPVBQESA-N 304.184 1.642 10 10 DDCE NCc1ccc(N2C3COCC2COC3)c(Br)c1 399792448 XWVNUXDOJCAQOY-UHFFFAOYSA-N 313.195 1.512 10 10 DDCE CC(C)N(CCS(C)(=O)=O)c1c(F)cc(CN)cc1F 2170166441 YMAUZKSWSNPHPF-UHFFFAOYSA-N 306.378 1.683 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@H]2[C@@H]3[C@H]2CCC3(F)F)cc1 2170820469 LXLMZXVQQYLXSM-GRYCIOLGSA-N 302.346 1.732 10 10 DDCE C[C@H](O)c1ccc(N2C[C@H](O)C[C@@H](O)C2)c(Br)c1 2043184274 JNXYGCFVNVFOAP-JMJZKYOTSA-N 316.195 1.434 10 10 DDCE C[C@H]1CNC(=O)CN1c1ccc(CN)c(Br)c1F 2060851590 OYCYTABUWFEVNU-ZETCQYMHSA-N 316.174 1.372 10 10 DDCE COC1CC(CO)(NCc2c(O)cccc2Br)C1 2077896869 HFXNDJIGWWQQMR-UHFFFAOYSA-N 316.195 1.784 10 10 DDCE C[C@@H]1CNC[C@H]1CS(=O)(=O)Nc1ccc(O)cc1Cl 2087408409 NNRXDRYIKASQFW-BDAKNGLRSA-N 304.799 1.643 10 10 DDCE CC(C)(C)OC(=O)N1CCCC[C@H](COc2nnc(=N)[nH]n2)C1 2210652320 UOHVHWQYBNAOTM-JTQLQIEISA-N 324.385 1.095 10 10 DDCE COCCS(=O)(=O)CCN[C@H](C)c1ccc(F)cc1O 2204669936 YUVLHJQPXDFPRB-SNVBAGLBSA-N 305.371 1.243 10 10 DDCE COc1ccc(Br)c(CNCC2COC2)c1O 2208535126 QSXUYRTZDPTGDX-UHFFFAOYSA-N 302.168 1.899 10 10 DDCE CSc1ncc(CNC(=O)c2n[nH]c3c2CNCC3)s1 2294702323 DONYHJSIYHTJAL-UHFFFAOYSA-N 309.420 1.164 10 10 DDCE O=C(O)C1(Sc2nccs2)C[C@H]2CS(=O)(=O)C[C@@H]2C1 2351874845 ODITXZIBSAPSTF-YUMQZZPRSA-N 319.429 1.513 10 10 DDCE O=C(O)[C@@]1(Sc2nccs2)CN[C@]2(CCCOC2)C1 2351989325 HKBPYMGOIFRXAU-NEPJUHHUSA-N 300.405 1.601 10 10 DDCE COc1ccc(N2CCN(C(=O)NCCCN(C)C)CC2)cc1 54104474 KZUAUCBDFFWITO-UHFFFAOYSA-N 320.437 1.479 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)[C@H](C)C2)c1O 175685922 ORECXLASFIYYBD-SECBINFHSA-N 315.366 1.353 10 10 DDCE COc1ccc(N2CCN(C(=O)C[C@@H](O)C(C)C)CC2)cc1 178860659 VPMNCTLNIBHUHP-MRXNPFEDSA-N 306.406 1.751 10 10 DDCE CCNCc1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(Cl)c1 2361607937 BOPVZHIMIWSPDP-RISCZKNCSA-N 314.838 1.683 10 10 DDCE COC(=O)[C@H]1C[C@@H](O)CN1Cc1ccc(N2CCCCC2)cc1 187570532 ARSWSCYPKVWIEO-IAGOWNOFSA-N 318.417 1.785 10 10 DDCE CN(C)C(=O)NCCNCc1cccc(Br)c1O 132364332 LSLOOTRNGNULAA-UHFFFAOYSA-N 316.199 1.516 10 10 DDCE COc1ccc([C@H](C)N2CCN(S(C)(=O)=O)CC2)c(O)c1 134026363 BDGKRVRIRPFJCN-NSHDSACASA-N 314.407 1.039 10 10 DDCE CCN(C)CCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255558803 FEPAQKJGMSCHEW-TWGQIWQCSA-N 317.433 1.604 10 10 DDCE C[C@H]1C[C@@H](CO)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 398808799 QLDIEDLDUZJWNC-VHSXEESVSA-N 321.333 1.380 10 10 DDCE CC[C@H]1[C@H](CO)CCN1CC(=O)NCc1ccc(N(C)C)cc1 839610570 OGCUYROHWGGXMK-RDJZCZTQSA-N 319.449 1.462 10 10 DDCE O=C(O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCCOCC1 911487679 GROCIBQUJNYQGO-GFCCVEGCSA-N 307.346 1.622 10 10 DDCE CCS(=O)(=O)C1CN(C/C=C/c2ccc(N(C)C)cc2)C1 841885592 GFJJXWJXXXNOIB-AATRIKPKSA-N 308.447 1.885 10 10 DDCE CCCCS(=O)(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 849416372 QDSJVGNPPGOQBZ-ZDUSSCGKSA-N 312.435 1.993 10 10 DDCE COCc1cc(O)ccc1NS(=O)(=O)c1c(N)noc1C 844663594 LMJYMOLVMHFWQW-UHFFFAOYSA-N 313.335 1.218 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@H]2CNCCC2(F)F)cc1 841656296 ZGNJAKBCIYAFJO-ZDUSSCGKSA-N 312.364 1.549 10 10 DDCE Cn1cc(/C=C2\SC(N3CCOCC3)=NC2=O)c(Cl)n1 857202784 TZKVAUDRDZVMAF-TWGQIWQCSA-N 312.782 1.376 10 10 DDCE COc1ccnc(CNC(=O)NCCc2ccc(N)cc2)c1F 851663420 YOUDUWXLIUGYRV-UHFFFAOYSA-N 318.352 1.853 10 10 DDCE COC(OC)[C@H](C)NC(=O)NCc1cc(Cl)ccc1O 923653657 WZLCSZKPTAVPNN-QMMMGPOBSA-N 302.758 1.852 10 10 DDCE CCC[C@@](C)(N)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852844721 ZASYVKYYUFRWMX-SUMWQHHRSA-N 305.422 1.908 10 10 DDCE Cc1cccc(N(CCC(N)=O)C(=O)C=C2CCNCC2)c1 852824831 FZHLMVLJNKPIMT-UHFFFAOYSA-N 301.390 1.513 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCN(C)CCN(C)CC2)c1O 933997735 RFFRFNIWUDUJFX-UHFFFAOYSA-N 323.412 1.413 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1C[C@H]1C1CCOCC1 866757405 SNRDBLYKLCJVHX-UONOGXRCSA-N 305.374 1.819 10 10 DDCE O=S(=O)(c1cnc2n1CCC2)N1Cc2cccc(O)c2C1 867690175 BQRVMXQZMSGACC-UHFFFAOYSA-N 305.359 1.239 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC[C@H](C(N)=O)C2)c1O 775025159 UBCSSAYDKMAIFQ-GXSJLCMTSA-N 323.349 1.443 10 10 DDCE COc1cc(C)cc(CN2C[C@@H](C)N(CCO)C[C@H]2C)c1O 895024794 NGPHUYQKMGJLRR-ZIAGYGMSSA-N 308.422 1.596 10 10 DDCE CNC(=O)Nc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 1150377644 LAWFNMDHEFPPHQ-UHFFFAOYSA-N 315.329 1.779 10 10 DDCE CN1CCC(CCO)(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 1153331946 AAKCOTTZRXFOAT-HWKANZROSA-N 320.389 1.074 10 10 DDCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)c1ccccc1 1160680448 ASEPVCCLCILYDI-APPDUMDISA-N 301.342 1.879 10 10 DDCE CN1C(=O)CN(C(=O)c2cccc(O)c2O)Cc2ccccc21 1167146861 VDRKLISXOVAPQJ-UHFFFAOYSA-N 312.325 1.717 10 10 DDCE Oc1cc(Br)ccc1CNCCCn1cnnc1 691466431 CZKUWPJLODMKPR-UHFFFAOYSA-N 311.183 1.926 10 10 DDCE Cc1onc(CO)c1C(=O)NCc1ccc2cccnc2c1O 1469249184 MMTIGTZEAREMBQ-UHFFFAOYSA-N 313.313 1.659 10 10 DDCE NC(=O)CC[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 1610292244 PEYWOLAJXYNFLV-VIFPVBQESA-N 310.325 1.355 10 10 DDCE CCN1CCN(c2ccc(CNCCOC)cc2OC)CC1 212661206 MGSRGECSPRFHHY-UHFFFAOYSA-N 307.438 1.573 10 10 DDCE C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)nc1)c1ccccc1O 1557968029 PJNJBCOGRKVWHI-SNVBAGLBSA-N 320.370 1.682 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1nc(C(F)(F)F)no1 1556152609 SWQBBCFWGJIUJN-UHFFFAOYSA-N 317.223 1.359 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)C(C)(C)C(N)=O)cc1C 1714244911 ZNWVWKLILGFDTJ-LBPRGKRZSA-N 321.421 1.109 10 10 DDCE C[C@@H]1OCCN(C(=O)Cc2ccc(O)c(O)c2)[C@@H]1C(F)(F)F 1633375782 DAIOLJCPJQPONR-SDBXPKJASA-N 319.279 1.819 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1COc2ccccc2C1=O 1630669273 YKZQDZWYSDAAJU-LBPRGKRZSA-N 313.309 1.400 10 10 DDCE COc1ccc(N2CCN(C(=O)CCCCCO)CC2)cc1 1630082712 YMCIKCMJNOWDSO-UHFFFAOYSA-N 306.406 1.897 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cc2nn[nH]c2cc1F 1570462090 DBFSEEPVYBWGTH-UHFFFAOYSA-N 302.265 1.438 10 10 DDCE C[C@@H](NC(=O)CNc1ccccc1C(N)=O)c1ccccc1O 1643742299 XRLLIPQRSUPUFC-LLVKDONJSA-N 313.357 1.780 10 10 DDCE CC(C)(C(=O)N1Cc2cccc(O)c2C1)n1cc([N+](=O)[O-])cn1 1650674480 FACJLDIMWJGLHT-UHFFFAOYSA-N 316.317 1.774 10 10 DDCE O=S(=O)(NCCNCc1cccc(Cl)c1O)C1CC1 1964608863 AQERFDFPESEVLU-UHFFFAOYSA-N 304.799 1.217 10 10 DDCE COc1ccc(O)c(CNC(=O)c2nc(C)c(C)[nH]c2=O)c1 158442377 BJKNTUXKYBTPTO-UHFFFAOYSA-N 303.318 1.031 10 10 DDCE CCN(CC)c1ccc(CNCCC(=O)NCCN(C)C)cc1 1857859171 CBYDGVMEHCUUBP-UHFFFAOYSA-N 320.481 1.690 10 10 DDCE CC(C)(C)OC(=O)NCc1nocc1C(=O)N1CC(N=[N+]=[N-])C1 1985095646 HIDXWXTZWFSLHD-UHFFFAOYSA-N 322.325 1.834 10 10 DDCE Nc1ccc(NC(=O)CCN2CCC(C3OCCO3)CC2)cc1 2145837251 RXQMCCVNAGHFQO-UHFFFAOYSA-N 319.405 1.682 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC[C@@H]3[C@H](C2)C3(F)F)cc1 2152119889 BJRQMYOHPSRKTJ-NEPJUHHUSA-N 302.346 1.686 10 10 DDCE COC[C@@]1(O)CCN(c2ccc(CO)c(Br)c2)C1 2034301970 SGYMNHIVPMWJMA-CYBMUJFWSA-N 316.195 1.529 10 10 DDCE C[C@@H]1C[S@@](=O)CCN1c1cc2c(cc1Cl)[C@H](O)C(=O)N2 2171966096 UEENOBLKCKDRKD-DKZRERMLSA-N 314.794 1.283 10 10 DDCE CCn1ccnc1[C@@H](C)NC(=O)c1cnn2c(O)cc(C)nc12 2063529606 GDPOHRJORIQOTG-SNVBAGLBSA-N 314.349 1.451 10 10 DDCE CC(C)S(=O)(=O)CCN(C)c1c(F)cc(CO)cc1F 2170467616 RPXPCFLSZVBSEU-UHFFFAOYSA-N 307.362 1.717 10 10 DDCE CNCc1ccc(N2C[C@@H](F)[C@@H](CO)C2)cc1Br 2057012086 GXLIVOHDLKYZFN-ZWNOBZJWSA-N 317.202 1.935 10 10 DDCE OC[C@H]1COCC[C@@H]1NCc1cccc(Br)c1O 2072979215 YPXMQKUGWWKJJO-JQWIXIFHSA-N 316.195 1.642 10 10 DDCE Oc1cc(Br)ccc1CN[C@@H]1CCc2nncn2C1 2103717589 HPRWXHHWPOFPBO-LLVKDONJSA-N 323.194 1.851 10 10 DDCE CN(C)c1ccc([C@@H](NN)c2ncncc2Br)cc1 2106832325 ZBQQHMMJABENSA-GFCCVEGCSA-N 322.210 1.858 10 10 DDCE CSc1ncc(CN[C@H]2CN(CC(C)C)C[C@H]2O)s1 2269095111 LGOJYDXKOHFYGP-NWDGAFQWSA-N 301.481 1.656 10 10 DDCE O=C(Nc1ncncc1Br)c1cc(O)nc(O)c1 2222487499 LCLMRNAOPFHJSJ-UHFFFAOYSA-N 311.095 1.298 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3COC[C@@]3(CO)C2)cc1Cl 2234560440 WSBKAPSHQWZRPC-YGRLFVJLSA-N 300.761 1.383 10 10 DDCE CC[C@@H](C)NC=C1C(=O)NC(=O)N(c2ccccc2C)C1=O 2296740171 IYYRHAGLDHYTMM-LLVKDONJSA-N 301.346 1.850 10 10 DDCE O=C1CN(C(=O)C=Cc2ccc(O)c(O)c2)[C@H]2CCCC[C@@H]2N1 2307989762 IOVBTQVBTPJXFZ-STQMWFEESA-N 316.357 1.381 10 10 DDCE Cc1ccc(CNCC(=O)N(C)C)c(O)c1Br 2307472112 CNABLHKZQVUCTL-UHFFFAOYSA-N 301.184 1.641 10 10 DDCE OCC[C@H](O)CCNCc1cc(Br)cc(F)c1O 2326759572 ACACQKNUIWJZLU-SNVBAGLBSA-N 322.174 1.517 10 10 DDCE C[C@H](NC(=O)NC[C@@H](C)CO)c1ccc(N2CCOCC2)cc1 123528905 SUUNKFVIYBNTCN-KGLIPLIRSA-N 321.421 1.512 10 10 DDCE CCc1nn(C)cc1CNS(=O)(=O)Cc1ccc(N)cc1 125434407 GOKABZOWQZQIRV-UHFFFAOYSA-N 308.407 1.184 10 10 DDCE Cc1ccccc1[C@@H](C)NC=C1C(=O)N(C)C(=O)N(C)C1=O 72680430 HTUGSJMYVDHRKU-LLVKDONJSA-N 301.346 1.580 10 10 DDCE CN(C)c1ccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)cc1 74272923 UWIPSNFPGJKCES-UHFFFAOYSA-N 322.368 1.919 10 10 DDCE C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1nncn1C 320128214 IZCRXQLKHLRHOJ-CYBMUJFWSA-N 301.394 1.503 10 10 DDCE COc1cc(Cl)c(N(C)C[C@H]2COCCN2)c(OC)c1 2368288162 OIFLTTVEZYWGSZ-JTQLQIEISA-N 300.786 1.782 10 10 DDCE COc1ccc(CNC(=O)c2cnn3c2CCCC3)c(O)c1 373703045 SAWZBPVUWSECBH-UHFFFAOYSA-N 301.346 1.864 10 10 DDCE O=C1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2O)C2(CCC2)N1 282588021 BZTQQQVSSCVDOU-CYBMUJFWSA-N 305.334 1.591 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CCCN(c2ccccc2)C1=O 814606611 GQDDOCUJWLOKTQ-ZDUSSCGKSA-N 303.314 1.131 10 10 DDCE C[C@H](CCN)NC(=O)NCc1cc(Br)ccc1O 841966337 BWRVIPGUVJFQBW-MRVPVSSYSA-N 316.199 1.691 10 10 DDCE CCO[C@H](C(=O)NCc1ccc(O)cc1O)C1CCOCC1 910956636 MKELKPVSYZPEPY-HNNXBMFYSA-N 309.362 1.546 10 10 DDCE CC1(C)OC[C@H]2C[C@@]21C(=O)OCC(=O)c1ccc(O)c(O)c1 849931332 UZRTWNDHUMRQMR-HWPZZCPQSA-N 306.314 1.639 10 10 DDCE COC(=O)/C=C\c1ccc(N2C[C@H](C)N[C@H](C)C2)c([N+](=O)[O-])c1 858631638 GVCNCPFBBGIOPV-KRYZUYOTSA-N 319.361 1.968 10 10 DDCE COC1(CS(=O)(=O)NCc2c(O)cccc2F)CCC1 921450699 DCRXLJUIXXTCHT-UHFFFAOYSA-N 303.355 1.520 10 10 DDCE CCO[C@H](CNC(=O)N1Cc2cccc(O)c2C1)CN(C)C 926854239 MSKLSIXSQFUIEA-CYBMUJFWSA-N 307.394 1.384 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cnc(S)[nH]3)C2)cc1 855224160 DZFUVRZOPLWYIJ-JTQLQIEISA-N 318.402 1.716 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3CCCO3)C2)cc1 855227595 YLCRTWGSSVBXCO-CZUORRHYSA-N 304.390 1.959 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3csc(O)n3)C2)cc1 855223626 BRKHLDDFSVNVPD-JTQLQIEISA-N 319.386 1.866 10 10 DDCE CCC[C@H](O)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855234314 XAKXDAZNMVXVJR-HIFRSBDPSA-N 306.406 1.941 10 10 DDCE COc1cc(C)cc(CN2CCN(c3nccnn3)CC2)c1O 863271785 TUWABAVIWYFXEN-UHFFFAOYSA-N 315.377 1.216 10 10 DDCE CC(=O)C(=O)COC(=O)/C=C\c1ccc(C(=O)OC(C)(C)C)o1 873475426 ZXFHWDNFCWLIOS-VURMDHGXSA-N 322.313 1.949 10 10 DDCE CC(C)(O)C[C@@H](O)CNCc1ccc(N2CCOCC2)cc1 872198952 FXYAVJDAFLCEMV-MRXNPFEDSA-N 308.422 1.135 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2 898148073 YXABRAUGUJJPAH-YAMSLAJTSA-N 308.353 1.738 10 10 DDCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CNC(N)=O 788147654 KSTIQEJFNKGDBL-UHFFFAOYSA-N 304.394 1.304 10 10 DDCE Cc1cc(N(C)C)ccc1CN1CC(C2CS(=O)(=O)C2)C1 895423725 CGTKOVJTNSYDOI-UHFFFAOYSA-N 308.447 1.537 10 10 DDCE COCc1ncc2c(n1)CCN(Cc1cccc(OC)c1O)C2 895415628 QDFZSYOVNWLJDC-UHFFFAOYSA-N 315.373 1.896 10 10 DDCE COC(=O)[C@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1147270871 PVHDDEDMNIAZKF-OAHLLOKOSA-N 318.333 1.921 10 10 DDCE CCOc1ccc(N2CC[C@@H](CNCCO)C2)cc1OCC 76382915 GJMUXWFAARIYHI-AWEZNQCLSA-N 308.422 1.892 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC1(C2(O)CCOCC2)CC1 1178269798 CVYKORMXIWPTJK-UHFFFAOYSA-N 321.373 1.078 10 10 DDCE C[C@H](O)c1ccc(N(C)C2CCS(=O)(=O)CC2)c(F)c1 694174218 XWDITYXREBMMOH-JTQLQIEISA-N 301.383 1.892 10 10 DDCE CN1CCN(c2ccc(CN3CCC4(COC4)C3)cc2F)CC1 1330408804 BIKCHCFIQMQGFE-UHFFFAOYSA-N 319.424 1.800 10 10 DDCE Cc1occc1CN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1348597926 ZNJQKOKXCLMOEV-UHFFFAOYSA-N 314.341 1.794 10 10 DDCE C[C@@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc(O)c(O)c1 1446298834 ZKWOAIDCYUAGOW-LBPRGKRZSA-N 306.406 1.829 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](O)C[C@@H]1c1ccccc1 1299243815 YAUDOINASVAYHY-HUUCEWRRSA-N 313.353 1.975 10 10 DDCE NC(=S)c1ccc(C(=O)NCc2cccc(O)c2O)cc1 1455321536 ZHYDUAWNBSIWCL-UHFFFAOYSA-N 302.355 1.662 10 10 DDCE NC(=O)C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 1625668351 JTWACKHRNLOFCR-MRVPVSSYSA-N 320.370 1.650 10 10 DDCE N#CC1(C#N)C(c2cc3c(cc2[N+](=O)[O-])OCO3)C1(C#N)C#N 6925577 YFUXMBJNAFFFSF-UHFFFAOYSA-N 307.225 1.488 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@H]1CCCN(CC(F)F)C1 1558175558 VSGPSUVGCSHXGD-JTQLQIEISA-N 314.332 1.691 10 10 DDCE NC(=O)CCC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1624462970 FJGDJVILSWNFFL-UHFFFAOYSA-N 306.362 1.144 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H]([C@@H]2CCCO2)C1 1630474427 SZJWRMDFFJVIEA-GJZGRUSLSA-N 307.346 1.047 10 10 DDCE C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ncnn1C 1568644175 RUWBLQMTKNEAAT-MRVPVSSYSA-N 301.310 1.469 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2[nH]cnc2C)cc1C 1669489851 PHWSTODKZYTOFK-GFCCVEGCSA-N 316.405 1.943 10 10 DDCE CC[C@@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@@H](C(=O)O)C1 251231716 QNIYADCPLBZSRW-RISCZKNCSA-N 305.378 1.783 10 10 DDCE COCCOC(=O)[C@@H](C)OC1CCN(c2ccc(N)cc2)CC1 585880287 OXTXJEALLIKOMG-CYBMUJFWSA-N 322.405 1.832 10 10 DDCE CN(C)c1ccc(CNCCC(=O)NC2=NCCS2)cc1 1857873556 LVSIGIDLMPLQQY-UHFFFAOYSA-N 306.435 1.451 10 10 DDCE 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COc1cccc(C(=O)NCc2ccc(O)cc2O)c1[N+](=O)[O-] 1570462170 HKOHWAWITPYVGM-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE C[C@]12CCC(=O)N1[C@H](C(=O)NCc1c(O)cccc1O)CS2 1652622617 BHYRBBRNKLKSLV-BONVTDFDSA-N 322.386 1.168 10 10 DDCE CN(CC(=O)NCc1c(O)cccc1O)c1ccc(Cl)cn1 1652625735 KGWYSLQAHBUMAQ-UHFFFAOYSA-N 321.764 1.899 10 10 DDCE C[C@]1(C(F)F)CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1585274383 YBGMMHSMTZMXOL-CQSZACIVSA-N 301.289 1.523 10 10 DDCE CCCn1nccc1NC(=O)C(=O)N(C)Cc1ccccc1O 151733206 JIOQFOYPCBSQMW-UHFFFAOYSA-N 316.361 1.596 10 10 DDCE CO[C@H]1CN(c2ccc(CN)cc2Br)C[C@@H]1OC 234849431 WHXHTFAKBQZZPS-STQMWFEESA-N 315.211 1.758 10 10 DDCE O=S1(=O)C[C@@H](c2cc(Cl)cc(Cl)c2O)NCCN1 1952469894 RGLDMTLZXWZJHC-VIFPVBQESA-N 311.190 1.263 10 10 DDCE CNC(=O)OCCCNCc1cccc(Br)c1O 1973893425 MANZYAPIAOUANI-UHFFFAOYSA-N 317.183 1.990 10 10 DDCE Cc1cc(CN(C)S(=O)(=O)Cc2ccc(N)cc2)sn1 404349488 OIUKBUCXJGSVPP-UHFFFAOYSA-N 311.432 1.996 10 10 DDCE CN1CC[C@@H](N(C)c2ccc(CO)c(Br)c2)C1=O 690130771 KLXXJBPSGMBLGW-GFCCVEGCSA-N 313.195 1.608 10 10 DDCE COc1cccc2c1C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C2 2064540058 OJPOZOKMCLGTNJ-ZDUSSCGKSA-N 313.353 1.933 10 10 DDCE CCCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H]1CN=[N+]=[N-] 2179618946 NJMNINAQHZMCSM-GRYCIOLGSA-N 302.400 1.353 10 10 DDCE COc1ccc(Br)c(CN2C[C@H](C)[C@@H](N)C2)c1O 2220452605 WSZWJYUGXBTFJC-KWQFWETISA-N 315.211 1.942 10 10 DDCE CSc1ncc(CNC[C@H]2CNCc3nccn3C2)s1 2284729331 XCMGAPRINWAXSR-JTQLQIEISA-N 309.464 1.571 10 10 DDCE CC[C@@H](C)N1C(=O)C(=CNCc2ccco2)C(=O)NC1=S 2296943077 PJISXNONRCJRPB-SECBINFHSA-N 307.375 1.295 10 10 DDCE NC(=O)[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cnccn2)C1 491888130 VUXOVVJUBAHPTC-SZZPACECSA-N 308.341 1.181 10 10 DDCE C[C@H]1C[C@H](NC(=O)C=Cc2ccc(O)c(O)c2)CN1C1CC1 2307989954 OHNBIYUWPGJCRP-AAEUAGOBSA-N 302.374 1.852 10 10 DDCE CO[C@@H](CN)CNCc1ccc(C)c(Br)c1O 2307564713 CIJICVKWQKZTEV-JTQLQIEISA-N 303.200 1.526 10 10 DDCE Cc1ccc(CN2CCNC[C@@H]2CN)c(O)c1Br 2327551286 CRPRIBAHWGNOSF-NSHDSACASA-N 314.227 1.196 10 10 DDCE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1nnn[nH]1 101114387 AWWHPGGQVUYBMK-UXBLZVDNSA-N 303.713 1.572 10 10 DDCE Cc1ccc(C(=O)NC[C@@H](c2cnn(C)c2)N(C)C)c(O)c1O 182466936 HYAOLOYQZAQGJJ-ZDUSSCGKSA-N 318.377 1.172 10 10 DDCE C[C@H]1Oc2ccc([N+](=O)[O-])nc2N(Cc2ccc(N)cc2)C1=O 75259499 XYJVBZLOEOTTMA-SECBINFHSA-N 314.301 1.886 10 10 DDCE Cc1cccnc1NS(=O)(=O)CCOc1ccc(N)cc1 70490538 BUNLTIOHKWYQSH-UHFFFAOYSA-N 307.375 1.793 10 10 DDCE C[C@@H]1SCCN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)[C@@H]1C 132571206 QHAMWUUSVATPCP-SCVCMEIPSA-N 310.419 1.320 10 10 DDCE NCc1ccc(N(CCO)CC(F)F)cc1Br 231310110 ZWXCKYXEEBSPMO-UHFFFAOYSA-N 309.154 1.972 10 10 DDCE CC(C)NC(=O)N1CCN(c2ccc3c(c2)OCCO3)CC1 242770943 DRVXONBJQKZGGN-UHFFFAOYSA-N 305.378 1.698 10 10 DDCE CC[C@@H]1CN(Cc2cc(OC)ccc2O)CCN1C[C@H](C)O 245861759 PAAXFQWFFALNLU-DZGCQCFKSA-N 308.422 1.678 10 10 DDCE CCN(C(=O)/C=C\c1cncc(C(=O)NC)c1)c1cccnc1 255753506 GAWDDQMKHOFKJD-SREVYHEPSA-N 310.357 1.903 10 10 DDCE NS(=O)(=O)C[C@H]1CCCN(Cc2cc(F)ccc2O)C1 272346264 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CO[C@](C)(CO)CNCc1cc(C)cc(Br)c1O 848559836 HIWMQFKAFWHZCJ-ZDUSSCGKSA-N 318.211 1.950 10 10 DDCE Fc1cc(CN[C@@H]2CCCCNC2)ccc1N1CCOCC1 841091413 XLKNHJBOYOXSKI-OAHLLOKOSA-N 307.413 1.894 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](F)[C@H](N)C1 851657096 VTISFXUXNXLMFU-HUUCEWRRSA-N 308.401 1.642 10 10 DDCE CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2cc3c(cc2O)OCO3)C1 850353499 DTZVCBMURQBELO-IACUBPJLSA-N 323.389 1.777 10 10 DDCE CCOC(=O)c1cc(NC(=O)Cc2ccc(O)c(O)c2)cn1C 1137087815 QRNBDXAKWHYJKA-UHFFFAOYSA-N 318.329 1.794 10 10 DDCE CO[C@@H]1COC[C@@H]1NC(=O)NCc1cccc(Cl)c1O 895329200 JQJPXNJEBGBTSD-WDEREUQCSA-N 300.742 1.259 10 10 DDCE COc1ccc(CNC(=O)CCSc2n[nH]c(C)n2)c(O)c1 794376125 ANFNEPPALRJJHY-UHFFFAOYSA-N 322.390 1.626 10 10 DDCE C[C@@H](N)c1ccc(N2CCS(=O)(=O)[C@H](C)C2)cc1Cl 707161119 XKJAAPIDCYBQHS-NXEZZACHSA-N 302.827 1.983 10 10 DDCE Cn1cc([C@@H](NCCCN=[N+]=[N-])C(=O)O)c(Br)n1 712426265 XTRVBQGOKQIKKQ-SSDOTTSWSA-N 317.147 1.598 10 10 DDCE COc1cccc(CNC(=O)NCc2cnc(Cl)cn2)c1O 1254503841 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1.865 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccnc(N2CCCC2)n1 1652626219 SJSYCZRLPYYGHD-UHFFFAOYSA-N 314.345 1.418 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(CO)(CO)C1 1585845614 PUWCGNNPPIYCRW-UHFFFAOYSA-N 323.370 1.129 10 10 DDCE CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1586334624 WZUHNOTZZUZFPD-CHWSQXEVSA-N 320.389 1.404 10 10 DDCE O=C(CN1CCCCCCC1=O)NCc1c(O)cccc1O 1652622968 LJFGNFONYLZSGZ-UHFFFAOYSA-N 306.362 1.507 10 10 DDCE COCCCN(CCOC)C(=O)c1ccc(N=NC(N)=O)cc1 1596982760 VEINEMCPKBJYQP-UHFFFAOYSA-N 322.365 1.974 10 10 DDCE CCNCc1cc(F)c(N2C[C@H](CO)OC[C@@H]2C)c(F)c1 167319708 LBZAUZPOJLWEJV-CMPLNLGQSA-N 300.349 1.660 10 10 DDCE [N-]=[N+]=NC1CN(S(=O)(=O)c2cncc(Br)c2)C1 1912178212 MLSWTVNHAOJWAW-UHFFFAOYSA-N 318.156 1.527 10 10 DDCE CNCc1ccc(N2CCN(OC)CC2)c(Br)c1 1915782595 OVLIGCBMPRXPQH-UHFFFAOYSA-N 314.227 1.852 10 10 DDCE NCc1ccc(N2CC[C@@H]2C(N)=O)c(F)c1Br 1941848748 TXWZJGKUARKDJI-MRVPVSSYSA-N 302.147 1.111 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1cc([N+](=O)[O-])ccc1O 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OCc1ccc(N2CC[C@@H](O)C[C@@H]2CO)c(Br)c1 2080493594 IBDTZXLTUDZAAA-GHMZBOCLSA-N 316.195 1.263 10 10 DDCE CN(Cc1ccc(Cl)cc1O)C[C@@H]1CCS(=O)(=O)C1 2092352819 MPDOPQNMDHSYSH-JTQLQIEISA-N 303.811 1.912 10 10 DDCE COc1cc(OC)c(N2CCC[C@](N)(CO)C2)cc1Cl 2285875001 VFFNHBZONMPRRH-CQSZACIVSA-N 300.786 1.647 10 10 DDCE NC(=O)C[C@H]1CCCN1c1ccc(CO)c(Br)c1 2257773960 LBVLDMGIDQUEBS-SNVBAGLBSA-N 313.195 1.786 10 10 DDCE CSc1ncc(CNC(=O)[C@H](N)Cc2cccnc2)s1 2284493850 GGIJLWMDWDIYFC-LLVKDONJSA-N 308.432 1.446 10 10 DDCE CSc1ncc(CNC(=O)Cn2nc(C)c(N)c2C)s1 2284555766 IAWAEUYZZMDQNY-UHFFFAOYSA-N 311.436 1.577 10 10 DDCE CS(=O)(=O)[C@H]1C[C@H](C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)C1 2285384483 UORCBKANJAPOSZ-DCAQKATOSA-N 300.384 1.501 10 10 DDCE C[C@@H]1C[C@@](Sc2nccs2)(C(=O)O)CCS1(=O)=O 2326904599 SZVDYQRGKJMDFT-GMSGAONNSA-N 307.418 1.656 10 10 DDCE CC(C)N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 301620636 MRBSPOXPMZSZIE-UHFFFAOYSA-N 320.349 1.456 10 10 DDCE NCc1cc(F)c(N2CC3(CC[C@@H](CO)O3)C2)cc1Cl 2362006249 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COc1ccc(N2CCC(NC[C@@](C)(CO)OC)CC2)cc1 848560172 ZQGYHXWQOLLHSU-KRWDZBQOSA-N 308.422 1.651 10 10 DDCE CCOC(=O)[C@H](CSC)NC(=O)c1ccc(C)c(O)c1O 928288531 SMFMVBXPNWVAKW-JTQLQIEISA-N 313.375 1.431 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cn(C)c(O)n1 854947660 CQEBHWOGQTYIEY-LBPRGKRZSA-N 316.405 1.861 10 10 DDCE CC[C@@H]1NCC[C@@H]1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851640351 UPIVUBBLKDENED-JQFCIGGWSA-N 317.433 1.778 10 10 DDCE C[C@H](Sc1nncn1C)C(=O)N1Cc2cccc(O)c2C1 871201536 WKQGTSRHTOEAES-VIFPVBQESA-N 304.375 1.544 10 10 DDCE CO[C@H](C(=O)NCc1ccc(O)c(O)c1)c1ccc(O)cc1 787448512 DKNLYKURBXIGGW-HNNXBMFYSA-N 303.314 1.807 10 10 DDCE CN(C)C(=O)CN(C)C(=O)c1cc2cc(O)c(O)cc2s1 895522849 YAWYLZQIFDFSTH-UHFFFAOYSA-N 308.359 1.473 10 10 DDCE O=C(C[C@H]1COc2ccccc2O1)NCc1c(O)cccc1O 1304053538 NFKSAYLGANJNNU-NSHDSACASA-N 315.325 1.944 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccnc(-c2ccccn2)n1 1162283607 AFIXBOABQIHDDH-UHFFFAOYSA-N 322.324 1.880 10 10 DDCE O=C(O)CN1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 86731273 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10 10 DDCE NCc1ccc(N2C[C@H](O)[C@H]3COC[C@H]32)cc1Br 2040600893 RSSKIKKQDQXBLW-UHTWSYAYSA-N 313.195 1.104 10 10 DDCE COc1ccc(C=C2SC(N3CCOCC3)=NC2=O)cc1 2053467642 MHBMVJNVTAPDMF-UHFFFAOYSA-N 304.371 1.998 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@@H]3CCCC(C)(C)O3)c2n1 2065082208 QQGSFWLNBJFQOF-NSHDSACASA-N 318.377 1.821 10 10 DDCE CCOC(=O)[C@H](NCCCN=[N+]=[N-])c1c(Cl)ncn1C 2175319474 UDQZORXMVVYJSR-MRVPVSSYSA-N 300.750 1.968 10 10 DDCE Nc1ccc(OC[C@H](O)CN2CC(SC(F)F)C2)cc1 2196690416 HCPRTDIISUVMEB-SNVBAGLBSA-N 304.362 1.649 10 10 DDCE C[C@H](N)c1cc(F)c(N2CC(CS(C)(=O)=O)C2)c(F)c1 2194696778 HTGFYGZMCWDWCC-QMMMGPOBSA-N 304.362 1.465 10 10 DDCE N[C@@H]1CC(CN2CCc3ccc(Br)cc32)=C[C@@H]1O 2067765548 CQECIJOIPHBNSS-OCCSQVGLSA-N 309.207 1.830 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H]3[C@@H]2CO)cc1Br 2078274999 UKGJUUSTTAORAI-SUHUHFCYSA-N 311.223 1.986 10 10 DDCE CCOC(=O)CCSc1ncc(CNCCOC)s1 2266594305 QQVKNISFWDLQJM-UHFFFAOYSA-N 304.437 1.924 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@@H](C(=O)O)[C@H]2C)s1 2284496592 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[N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)C[C@H]2CCCCO2)C1 2364102151 XZCUBWYLCVSPQU-VXGBXAGGSA-N 302.400 1.908 10 10 DDCE CN(CC(=O)NC(N)=O)c1ccc(OCc2ccccc2)cc1 189646144 TWGJCYXZBSPFQO-UHFFFAOYSA-N 313.357 1.897 10 10 DDCE CN(C)c1ccc(CNC(=O)Nc2ccc(=O)n(C)c2)cc1F 194636302 RQSYBPDSFPITTO-UHFFFAOYSA-N 318.352 1.912 10 10 DDCE CCS(=O)(=O)N1CC(CN[C@H](C)c2ccc(F)cc2O)C1 190691354 XDPSAQLCXLLCFN-SNVBAGLBSA-N 316.398 1.463 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1[C@@H]2CCCO[C@@H]21 355631137 FVZVYQFVOPUNHY-MAZHCROVSA-N 302.374 1.903 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCOC[C@@H]1CC(F)F 804723166 SHKRXQZTLLRGJU-MORRKMRCSA-N 313.300 1.994 10 10 DDCE C[C@@H]1C[C@H](N[C@H]2CCC(=O)N(C)C2=O)c2c(O)ccc(F)c21 818362067 PBKYLCHHYNIYCG-MIMYLULJSA-N 306.337 1.817 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2cn(CC3CC3)nn2)c1 825736846 LMKMCGLSQMFBMH-JTQLQIEISA-N 316.361 1.893 10 10 DDCE C[C@H](NCC1(S(N)(=O)=O)CCC1)c1cc(F)ccc1O 721575033 CMXTTWKMXVPNNT-VIFPVBQESA-N 302.371 1.393 10 10 DDCE CC[S@@](=O)CCNC(=O)N[C@H](C)c1cc(OC)ccc1O 735114190 WGBFWVCPFBMUIG-LADRHHBVSA-N 314.407 1.530 10 10 DDCE CSCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](N=[N+]=[N-])C1 701263622 HJWWJPKXPWSSPQ-DTWKUNHWSA-N 300.388 1.078 10 10 DDCE CC[C@H](O)CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 837804978 JGQKHOJAMUGJTJ-HNNXBMFYSA-N 322.405 1.415 10 10 DDCE COCCN(C/C=C/c1ccc(N(C)C)cc1)[C@H](C)C(N)=O 835024976 BFLPPFLAQQKZKD-VBROQKIQSA-N 305.422 1.588 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3n[nH]cc3F)C2)cc1 912291849 DRFMQADPKIGMOU-SNVBAGLBSA-N 304.325 1.566 10 10 DDCE C[C@@H]1CNCC[C@H]1NC(=O)NCCCSc1nccs1 841856860 LLSHVEDDJJDSFY-GHMZBOCLSA-N 314.480 1.923 10 10 DDCE CC[C@@H](NCCC(=O)NCCC(=O)OC)c1ccc(C)cc1O 858542776 XMSFVKWDEFSDTG-CQSZACIVSA-N 322.405 1.811 10 10 DDCE COc1cc(O)c(CNC[C@H](C(=O)O)C2CCC2)cc1OC 854247956 LJXAFUIMLWPYLH-LBPRGKRZSA-N 309.362 2.000 10 10 DDCE CO[C@H]1CCn2cc(C(=O)NCc3c(O)cccc3F)nc2C1 928710262 RYTPNUAJTHMPNZ-JTQLQIEISA-N 319.336 1.619 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CSCN3)C2)cc1 852901053 ZJEUBPOSHSTWFY-BXUZGUMPSA-N 307.419 1.053 10 10 DDCE C[C@]12COC[C@@]1(C)CN(Cc1cc3c(cc1O)OC[C@@H]3O)C2 853543237 RDBRZIJOULDHKM-BHYGNILZSA-N 305.374 1.676 10 10 DDCE COC(=O)NCCCC(=O)NCc1ccc2cccnc2c1O 862028167 RXVANBNYEQHGPG-UHFFFAOYSA-N 317.345 1.693 10 10 DDCE CC(C)[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 778008742 IOCDQONUTWCNOW-AWEZNQCLSA-N 321.333 1.787 10 10 DDCE COc1cc(C)cc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)c1O 894869197 QKIAPLUIUFYROR-ZBFHGGJFSA-N 306.406 1.614 10 10 DDCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@](C)(C(F)F)O1 1148049432 MPMRJPYZNJDUCC-VFZGTOFNSA-N 315.316 1.911 10 10 DDCE C[C@H](NC(=O)c1ccc(-n2cnnn2)cn1)c1ccccc1O 1151900500 RFQNQNNRKFPNEF-JTQLQIEISA-N 310.317 1.254 10 10 DDCE CO[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CC[C@@H]1C 1324871813 GTMDZYDOZWWMJH-WFASDCNBSA-N 320.389 1.234 10 10 DDCE C[C@H](OCc1ccccc1)[C@@H](N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1893863965 JOCRTVNRQMKVKH-ATVPRXPUSA-N 304.390 1.185 10 10 DDCE C[C@@H](NC[C@@](O)(C(N)=O)c1ccccc1)c1ccccc1O 1473722862 QMYXWSMPJJSCBL-PXAZEXFGSA-N 300.358 1.416 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)Cc1ccc(F)cc1 1471901346 XUTYPTMYLKYCPC-CQSZACIVSA-N 319.332 1.499 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1nc[nH]c1C(F)(F)F 1622643806 XFBGYIJZTIRWTF-UHFFFAOYSA-N 301.224 1.770 10 10 DDCE O=C(CO[C@@H]1CCOC1)NCc1c(O)ccc2ccccc12 1652708955 RHXRZVIAFHUVAA-CYBMUJFWSA-N 301.342 1.967 10 10 DDCE C[C@@H](NCCOCCO)c1ccc(N2CCC(O)CC2)cc1 159093823 GEWPXYMIJKLWEB-CQSZACIVSA-N 308.422 1.307 10 10 DDCE C[C@@H]1CN(C(=O)CNCc2ccc(N(C)C)cc2)C[C@@H](C)O1 1857865638 WUWGVJHEFUOAGQ-ZIAGYGMSSA-N 305.422 1.478 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H](N)CF 1952616900 XDSDILKOWPVZKB-GHMZBOCLSA-N 314.357 1.830 10 10 DDCE CCCS(=O)(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 701319043 NTIKJZOLFLVEHT-NXEZZACHSA-N 303.388 1.006 10 10 DDCE CS(=O)(=O)[C@@H]1CCCN(c2cc(Cl)c(CN)cc2F)C1 2177376702 HVUADWMRRFUYCC-SNVBAGLBSA-N 320.817 1.951 10 10 DDCE CC[C@@]1(CO)CCCN1C(=O)c1cnn2c(O)cc(C)nc12 2063360165 LBQXXUFASGIONT-HNNXBMFYSA-N 304.350 1.120 10 10 DDCE N[C@H]1CC(CN2CCc3cccc(Br)c32)=C[C@@H]1O 2067768687 KORNBHKNQAQLMV-STQMWFEESA-N 309.207 1.830 10 10 DDCE Nc1ccc(NC(=O)N=c2[nH]ccnc2Br)cc1 2071557846 DGMQTIYPVVENKV-UHFFFAOYSA-N 308.139 1.887 10 10 DDCE O=C(O)c1cc(O)ccc1NS(=O)(=O)c1cncs1 2092680991 IWRLGVFEXMMCQB-UHFFFAOYSA-N 300.317 1.348 10 10 DDCE CS(=O)(=O)[C@H]1CCCC[C@@H]1NCc1ccc(F)cc1O 2204744335 LDRGIGBEGMAIGC-JSGCOSHPSA-N 301.383 1.977 10 10 DDCE CC[C@](C)(C(=N)NO)C(=O)NCc1cnc(SC)s1 2269099323 ORLVVPMDMFUZAF-LLVKDONJSA-N 302.425 1.854 10 10 DDCE Cc1nscc1CCNS(=O)(=O)Cc1ccc(N)cc1 2280128895 QBIGJNCRSPRVIX-UHFFFAOYSA-N 311.432 1.696 10 10 DDCE CO[C@H](C)CS(=O)(=O)[C@H](C)C(=O)Nc1ccc(N)cc1 2283826226 MLVYKOZRWCKMLO-NXEZZACHSA-N 300.380 1.046 10 10 DDCE COc1cc(OC)c(N2CCO[C@H]([C@@H](C)O)C2)cc1Cl 2285877530 SNBBJQNBVXYAJG-OTYXRUKQSA-N 301.770 1.943 10 10 DDCE O=C(N1CCc2cc(O)c(O)cc2C1)C1(Br)CC1 2318623835 DZYJIAYGBNUSQM-UHFFFAOYSA-N 312.163 1.910 10 10 DDCE Cc1ccc(CN2C(=O)[C@@H]3C[C@H]3C2=O)c(O)c1Br 2327796933 PABHFJRWVUGDCR-RKDXNWHRSA-N 310.147 1.968 10 10 DDCE CC(=O)N1CC[C@H](CN(C)Cc2cc([N+](=O)[O-])ccc2O)C1 179455821 XHGVVXALYNZWAB-GFCCVEGCSA-N 307.350 1.601 10 10 DDCE Nc1ccc(OCCC(=O)NCCOCC(F)(F)F)cc1 111633983 PUQHBTAEWDNLAY-UHFFFAOYSA-N 306.284 1.733 10 10 DDCE CO[C@@H](C)CCS(=O)(=O)CC(=O)c1ccc(O)c(O)c1 2362085341 YJWIUQVANAACAE-VIFPVBQESA-N 302.348 1.120 10 10 DDCE CCOC(=O)CC1=NNC(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1 212342386 RJYNGDJFGBMQNF-DHZHZOJOSA-N 318.289 1.330 10 10 DDCE CC[C@]1(C)CN(CCOCCN)c2cc3c(cc2N1)OCCO3 75280843 YSMDXMJYRGHAIV-QGZVFWFLSA-N 321.421 1.834 10 10 DDCE C[C@@H]1CO[C@@H](CO)CN1c1ccc(CN)c(Br)c1 228154646 UVGOSZRWBJIAOU-BXKDBHETSA-N 315.211 1.494 10 10 DDCE CCN[C@@H](C)c1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)cc1O 93670589 RIXOEHRKUYZBSO-WCQYABFASA-N 312.435 1.686 10 10 DDCE Cn1cc(/C=C\c2nc3ccccc3c(=O)n2CCC(=O)O)cn1 97035225 LCBRXAHZKOTDMF-SREVYHEPSA-N 324.340 1.775 10 10 DDCE CS(=O)(=O)COc1ccc(N2CCC[C@@H](N)C2)c(F)c1 2163680506 HHTWRWODWVQUSM-SNVBAGLBSA-N 302.371 1.134 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCOC[C@H]2CC(=O)O)cc1 902002668 SLTXIOQRRNZUJK-MJSXRHKHSA-N 304.390 1.941 10 10 DDCE COc1ccc2c(c1)CCN2Cc1cnnn1[C@H]1CCCNC1 903873569 SQLFBHOSKHBFJU-AWEZNQCLSA-N 313.405 1.774 10 10 DDCE C[C@H]1C(=O)N(C)CN1Cc1ccc(N2CCOCC2)c(F)c1 843435353 MWHYESKWUZVMLA-LBPRGKRZSA-N 307.369 1.282 10 10 DDCE COc1ccc(O)c(CNC(=O)NC2CCC(C(N)=O)CC2)c1 747586205 YCCIUIRFSLGAAK-UHFFFAOYSA-N 321.377 1.244 10 10 DDCE C[C@H]1C[C@@H](S(=O)(=O)Nc2ccc(O)cc2C(=O)O)CCO1 844783043 QYGHIVCOCXXGAG-WPRPVWTQSA-N 315.347 1.400 10 10 DDCE CCN1OC[C@@H](N2CCN(c3ccc(OC)c(F)c3)CC2)C1=O 851806585 RVANIGPUPXIEAU-CQSZACIVSA-N 323.368 1.119 10 10 DDCE COC(=O)c1cc(OCC(=O)Nc2ccon2)ccc1N(C)C 865395874 DOEDYUKCVAXGFA-UHFFFAOYSA-N 319.317 1.545 10 10 DDCE CO[C@H]1C[C@@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)C1 863537230 WHEHIUGQYIQVFI-BJHJDKERSA-N 304.346 1.581 10 10 DDCE CC(C)N1C[C@H](NC(=O)N[C@@H](C)c2ccccc2O)CC1=O 868371243 ADHKTSCHNXKWPR-NWDGAFQWSA-N 305.378 1.762 10 10 DDCE CN(CCOCC1CC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 761905733 JABWNAAJVXICIB-UHFFFAOYSA-N 321.333 1.789 10 10 DDCE COC(=O)c1c(CN2C[C@H]3C[C@]3(O)C2)c2cc(F)ccc2n1C 895644629 CFOQLTRNDAJZCD-QGHHPUGFSA-N 318.348 1.671 10 10 DDCE COC(=O)[C@@H]1C[C@@H]1CNC(=O)NCc1ccc(OC)cc1O 891231668 ZOZWPOUIWBJTEP-ZYHUDNBSSA-N 308.334 1.009 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(CO)noc1C 1157101567 BGQLTTCUKGWPRI-UHFFFAOYSA-N 311.334 1.597 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)CCONC(=O)OC(C)(C)C 1885562389 FXFSDOYDLFKATG-UHFFFAOYSA-N 301.347 1.992 10 10 DDCE Nc1ccc(Cn2nc(Cc3ccccc3N)c(O)nc2=O)cc1 82720965 QFQXYGAUGLCVHE-UHFFFAOYSA-N 323.356 1.147 10 10 DDCE CCOC(=O)[C@@H]1CNCCN1C/C=C\c1ccc(N(C)C)cc1 1326198406 CSHLJRYUHZFUPK-OSJSJHBBSA-N 317.433 1.603 10 10 DDCE CNC(=O)[C@@H]1CCCN1Cc1c(O)cccc1Br 707131806 KOGMTEXKBBSNNE-NSHDSACASA-N 313.195 1.865 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N2CC3CC2(C)C3)cc1F 1334034564 ZPWSWPNUDSPLJC-UHFFFAOYSA-N 319.380 1.519 10 10 DDCE CCOC[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1346754075 QMEPJLIMXQOMOV-QWHCGFSZSA-N 321.421 1.471 10 10 DDCE Cc1ccc(O)c(CNC(=O)Cc2c(C)nc(O)nc2O)c1 1470257297 HCUZKQJMKGSKSF-UHFFFAOYSA-N 303.318 1.069 10 10 DDCE Cc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1C(N)=O 1565859590 MOTUQZVYMUWIKU-UHFFFAOYSA-N 300.314 1.686 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2ccccc2OCC(N)=O)c1 1640796506 HQUOMHHNNYQTLH-UHFFFAOYSA-N 314.341 1.495 10 10 DDCE COc1ccc(CNC/C=C/CNC(=O)[C@@H]2CCOC2)cc1C 1668737982 DQKXGQPZIICMEH-QDLOVBKTSA-N 318.417 1.802 10 10 DDCE Cc1cc(C(N)=O)c(NC(=O)COc2ccc(N)cc2)s1 1860083658 UOQUENWNTXJIPW-UHFFFAOYSA-N 305.359 1.755 10 10 DDCE Cc1c(O[C@H](C)C(N)=O)c(=O)ccn1Cc1ccc(N)cc1 1857919949 GAJHXIGVEZQKDS-LLVKDONJSA-N 301.346 1.040 10 10 DDCE CC(C)(C)OC(=O)NC1([C@@H](O)[C@H](N)c2ccccc2O)CC1 1934385129 JIVJCURYEGGDBG-OLZOCXBDSA-N 308.378 1.810 10 10 DDCE CN[C@H]1C(=O)Nc2cc(N(CC(N)=O)Cc3ccccc3)ccc21 1946834859 JXAACKPQKHELOO-QGZVFWFLSA-N 324.384 1.391 10 10 DDCE CCN(CCOc1ccc(N)cc1)[C@H](C)CS(C)(=O)=O 2170421214 RVXKGDSMRPLDKR-GFCCVEGCSA-N 300.424 1.403 10 10 DDCE NCc1cc(F)c(N2CCC[C@H](NC(N)=O)C2)cc1Cl 2177381467 NLPRNHBCMRCHCQ-VIFPVBQESA-N 300.765 1.575 10 10 DDCE COC(=O)[C@H](C1CC1)S(=O)(=O)N1CCC[C@@H]1CN=[N+]=[N-] 2167088270 UQORFFXBBKEGHE-ZJUUUORDSA-N 302.356 1.043 10 10 DDCE CS(=O)(=O)N1CCC(CN2CCC[C@@H]2CN=[N+]=[N-])CC1 2179616783 PSRORYVOUKOUML-GFCCVEGCSA-N 301.416 1.433 10 10 DDCE O=C(O)[C@H](CCCc1ccc(O)c(O)c1)NC(=O)C(F)(F)F 2081095841 CPYXICDZEXGKOA-QMMMGPOBSA-N 321.251 1.552 10 10 DDCE CO[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)C(F)(F)F 2197312685 LQGMATCBVGKIJU-SNVBAGLBSA-N 312.313 1.266 10 10 DDCE CN1C[C@@H]2C[C@H](C1)N2c1ccc(CN)c(Br)c1F 2067423692 OZVXOZAQKOMDQJ-AOOOYVTPSA-N 314.202 1.940 10 10 DDCE CN(C)c1ccc([C@@H](NN)c2nn(C)cc2Br)cc1 2106822698 HVRKGDHJDPAKGX-GFCCVEGCSA-N 324.226 1.801 10 10 DDCE CSc1ncc(CNC(=O)N2CSC[C@H]2C(=O)O)s1 2269094183 HITAXQMDUQTQGM-ZETCQYMHSA-N 319.433 1.534 10 10 DDCE C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1Cc1c(O)cccc1F 2279350165 DNMVUUNTFZFFMH-GHMZBOCLSA-N 301.383 1.929 10 10 DDCE CC(C)CN1C(=O)C(=CN[C@H]2CCCC[C@@H]2C)C(=O)NC1=S 2295113226 QHHDGQLZQQRPJX-AAEUAGOBSA-N 323.462 1.938 10 10 DDCE CSc1ncc(CN2CCC(=O)N[C@H](C(C)C)C2=O)s1 2284665262 KTDOOWFVIYLBAM-LLVKDONJSA-N 313.448 1.738 10 10 DDCE NC(=O)[C@@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(O)c2)C1 492471169 HTPRRODHMMOUHL-GEXIGZQTSA-N 323.352 1.491 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NCCCNC(=O)C1CCC1 2308001646 BTUHWBPLHHJSGX-UHFFFAOYSA-N 318.373 1.534 10 10 DDCE Oc1cc(Br)ccc1CN[C@H]1CCC[C@@H](O)[C@H]1O 2312192154 QMJPEKFXCDUNPK-LOWVWBTDSA-N 316.195 1.519 10 10 DDCE Cc1ccc(CNC(=O)C=CC(=O)O)c(O)c1Br 2327799596 XVZIVSNLVLGHPB-UHFFFAOYSA-N 314.135 1.720 10 10 DDCE CCCN1C(=O)/C(=C/NCC2CCCCC2)C(=O)NC1=S 105490615 YATKPDRIXMBIAA-ZRDIBKRKSA-N 309.435 1.694 10 10 DDCE COc1cccc(CN2CCO[C@H](Cn3cc(C)cn3)C2)c1O 122459750 WMBZMHWVJOBRPV-HNNXBMFYSA-N 317.389 1.807 10 10 DDCE O=C(Nc1cnc(Br)cn1)c1cccc(O)c1O 126180419 SJJPXLFKWXVZOV-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE Cc1ccc(O)c(CNCCCCCCS(N)(=O)=O)c1 2364242156 GMYJRGPZYNAALT-UHFFFAOYSA-N 300.424 1.639 10 10 DDCE CNCc1ccc(N(C)C[C@H](O)COC)cc1Br 234405851 HYTVSRNLRABHNT-LBPRGKRZSA-N 317.227 1.612 10 10 DDCE CC(C)n1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)nn1 341383479 WLSVYUKWGZNMOK-UHFFFAOYSA-N 315.377 1.964 10 10 DDCE C[C@@H]1O[C@H](C)[C@@H](N2C(=O)CN(Cc3ccccc3O)C2=O)[C@H]1C 530209513 JYQSCGOORYNDJQ-OVZMXSCWSA-N 318.373 1.968 10 10 DDCE COC[C@](C)(CCO)NCc1ccc([N+](=O)[O-])c(OC)c1O 278548864 YSZXTDRGYUBYFR-AWEZNQCLSA-N 314.338 1.186 10 10 DDCE CN(Cc1ccccc1O)C(=O)C1(N2CCOCC2)CCC1 376548121 NGYHCQDCRUTKSO-UHFFFAOYSA-N 304.390 1.606 10 10 DDCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H](N)CC(=O)OC)cc1 826019230 BJAGDTVOGAMUCZ-HNNXBMFYSA-N 321.421 1.382 10 10 DDCE O=S1(=O)C[C@@H](CNCc2ccccc2O)Oc2ccccc21 842721505 IXBGZGFHXJOPSV-CYBMUJFWSA-N 319.382 1.717 10 10 DDCE O=C(O)c1cnn2c(O)cc(CN3CCC[C@H]4CCC[C@@H]43)nc12 846240659 CHFHYXYRVXUCNX-MFKMUULPSA-N 316.361 1.898 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)[C@@H](C)N)cc1 846176837 JBTRNOADNNYQDS-CHWSQXEVSA-N 308.426 1.509 10 10 DDCE Cc1cc(O)c(CN2CCC3(CC2)NC(=O)NC3=O)c(Cl)c1 840936039 DKCLFRQFILNVFI-UHFFFAOYSA-N 323.780 1.528 10 10 DDCE O=C1CO[C@H]2CCN(Cc3cc4c(cc3O)CCCC4)C[C@@H]2N1 840151996 IAXDRYWRGPILOO-RDJZCZTQSA-N 316.401 1.360 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](CO)C3)C2)cc1 854297501 PBBFXNGKPBGYQP-ZIAGYGMSSA-N 319.405 1.298 10 10 DDCE O=C(NCCS(=O)(=O)CC(F)(F)F)c1cc(O)cs1 855579524 QNQCCBVRZRYLCK-UHFFFAOYSA-N 317.310 1.161 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(C)n(-c2ccn(C)n2)c1C 856947954 MDQVUYSFRICBIW-UHFFFAOYSA-N 303.318 1.143 10 10 DDCE CC[C@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H](C)O 854297705 RFZHYHZRWKNGPG-WWGRRREGSA-N 321.421 1.733 10 10 DDCE COC(=O)NC(C)(C)C(=O)NCc1ccc2cccnc2c1O 862028410 YPQARPQTYDFHSV-UHFFFAOYSA-N 317.345 1.691 10 10 DDCE Nc1ccc(CCNCc2ccc(S(N)(=O)=O)cc2)cc1 71428833 OQRHMOVPLWNVHC-UHFFFAOYSA-N 305.403 1.249 10 10 DDCE COC[C@H](NCc1cc2c(cc1O)OCO2)[C@H]1CCCOC1 886360309 UGHYJJJKMCKMFF-AAEUAGOBSA-N 309.362 1.652 10 10 DDCE CCN(Cc1cn(C)nn1)C(=O)/C=C/c1ccc(O)c(O)c1 782103329 QTJNCCFXOAXYGV-FNORWQNLSA-N 302.334 1.288 10 10 DDCE CNC(=O)c1cccc(N(C)C(=O)/C=C(/C)c2cnccn2)c1 1134048562 KDWYKSJGSVMOGM-XFXZXTDPSA-N 310.357 1.903 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2[C@H]3CCC[C@H]32)cc1 1321419581 IOMSEAYCBKBLNP-FICVDOATSA-N 301.390 1.284 10 10 DDCE CN(C[C@@H]1CCCS1(=O)=O)c1ccc(CN)cc1Cl 694091818 UCMOTMIOQYOJPT-NSHDSACASA-N 302.827 1.812 10 10 DDCE CS(=O)(=O)N[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1 93531053 QLCRXSMEMPZTRY-LLVKDONJSA-N 304.799 1.169 10 10 DDCE COC(=O)CN(C(=O)/C=C\c1cn(C)cn1)c1cccc(F)c1 1516177997 RROSQCRHJSGQMI-SREVYHEPSA-N 317.320 1.779 10 10 DDCE CN(C)c1ccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])cc1 1539050746 WYGGMQOFIYDEDG-UHFFFAOYSA-N 315.333 1.568 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](C1CC1)[C@@H](CO)C1CC1 1569427891 SEBTWHBHYLRKLU-GUYCJALGSA-N 305.374 1.554 10 10 DDCE Cn1c(=O)n(CC(=O)N2Cc3cccc(O)c3C2)c2ccccc21 1644088227 KUXJFUYKEXZQBW-UHFFFAOYSA-N 323.352 1.588 10 10 DDCE O=C1COc2ccc(C(=O)NCc3c(O)cccc3O)cc2N1 1645360963 QOQCTJSAKHSFON-UHFFFAOYSA-N 314.297 1.359 10 10 DDCE O=C1COc2cc(NC(=O)c3c(F)ccc(O)c3O)ccc2N1 1648479458 QXAKFINVPHDKBQ-UHFFFAOYSA-N 318.260 1.820 10 10 DDCE Cc1nc2nncn2c(C)c1CCC(=O)Nc1ccc(N)cc1 212665563 LMLLFEYLDBKMND-UHFFFAOYSA-N 310.361 1.895 10 10 DDCE O=C(O)C=Cc1ccc(N2CCS(=O)(=O)CC2)cc1Cl 1912126210 DCWFBGMVQAGRMX-UHFFFAOYSA-N 315.778 1.673 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC=CBr)cc1 1925891344 IWTYRAKSMVDFHE-UHFFFAOYSA-N 305.197 1.597 10 10 DDCE COC(=O)[C@H]1CCN[C@@H]1c1c(O)cccc1Br 1952880257 FOJMLEVQVDPGFO-CPCISQLKSA-N 300.152 1.978 10 10 DDCE C[S@@](=O)C1CN(c2ccc(CO)cc2Br)C1 1981172733 MEQJAEZKCYLYCJ-MRXNPFEDSA-N 304.209 1.509 10 10 DDCE O=C1CC[C@@H](CNCc2ccc(Br)cc2O)CN1 2041478190 HUHAAWWANZUWTK-VIFPVBQESA-N 313.195 1.771 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)[S@](=O)CCC[S@@](C)=O 319360834 BEXLAHKRHAPBSF-WPYVFCFSSA-N 316.448 1.113 10 10 DDCE CN1[C@H]2CC[C@H]1C(=O)N(c1ccc(N)c(Br)c1)C2=O 704599565 JCWXRMUMBNOWLO-QWRGUYRKSA-N 324.178 1.367 10 10 DDCE C[C@H](CNCc1c(O)cccc1Br)c1nn[nH]n1 706883732 XTBZNKJQBCCGBU-SSDOTTSWSA-N 312.171 1.561 10 10 DDCE CN(c1ccc(CO)c(Br)c1)[C@@H]1COC[C@@H]1O 708713152 RLEBLSAODJPTPL-NEPJUHHUSA-N 302.168 1.137 10 10 DDCE CCOC(=O)Cc1cc(O)n2nc(CC)c(C(=O)OCC)c2n1 2080924225 QRRIHTXLADVAAQ-UHFFFAOYSA-N 321.333 1.280 10 10 DDCE C[C@@H](CS(=O)(=O)N(C)[C@H](C)c1ccccc1O)C(=O)O 2183442683 JWDREVXFSIVOEN-VHSXEESVSA-N 301.364 1.436 10 10 DDCE COc1cc(Cl)cc(CNC[C@@]2(CO)CCCO2)c1O 2194010701 DIVSHWQXEYHDKQ-CQSZACIVSA-N 301.770 1.685 10 10 DDCE NC(=O)[C@@H]1CCC[C@H]1NCc1ccc(Br)cc1O 2053777758 RONSFISSWXOJPX-GHMZBOCLSA-N 313.195 1.898 10 10 DDCE COCCOCCOCCSc1ncc(C(=O)OC)s1 2240407495 FPLUGJVRZQYGBL-UHFFFAOYSA-N 321.420 1.701 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H]3C[C@@]3(C(=O)O)C2)s1 2284503987 ILXZWWXEBOQHFR-JMCQJSRRSA-N 313.404 1.481 10 10 DDCE Cc1ccc(CN2CC(F)(CO)C2)c(O)c1Br 2307568993 GOAMPIXLTTVEPG-UHFFFAOYSA-N 304.159 1.979 10 10 DDCE CCCS(=O)(=O)C[C@](C)(Sc1nccs1)C(=O)O 2327002295 LUDWULZBWKLROJ-JTQLQIEISA-N 309.434 1.903 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)NCCCN1CCCC1=O 170244963 SMWUUTZMKXAIPD-GFCCVEGCSA-N 320.389 1.405 10 10 DDCE COCCNC(=O)C(=O)N(c1ccccc1)c1ccc(N)cc1 170334896 WDDABZWRCLRULJ-UHFFFAOYSA-N 313.357 1.696 10 10 DDCE COc1cc2c(cc1OC)N([C@@H](C)CN)CC1(CCNCC1)N2 75280787 BHCNHLNHRDPFRY-LBPRGKRZSA-N 320.437 1.405 10 10 DDCE COC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 33312477 VKDHYAHLBZVBFB-FPLPWBNLSA-N 304.346 1.073 10 10 DDCE COc1cc(Cl)c(N(C)C[C@@H]2CNCCO2)c(OC)c1 2368106787 DEGDNLHBWFBQRV-NSHDSACASA-N 300.786 1.782 10 10 DDCE CCOc1ccc(O)c(CN2CCCN(CCOC)C(=O)C2)c1 191704687 JVNNJTITLYCSJS-UHFFFAOYSA-N 322.405 1.472 10 10 DDCE COC(=O)C[C@@H](N)c1cccc(I)c1O 95780796 WQTORHUIIDREPI-MRVPVSSYSA-N 321.114 1.560 10 10 DDCE CCOC(CNC(=O)N(C(C)=O)c1ccc(N)cc1)OCC 243732272 PUEVVQQYRIQRJB-UHFFFAOYSA-N 309.366 1.730 10 10 DDCE CS(=O)(=O)COc1ccc(N2CCCNCC2)c(F)c1 2163681124 UPRMMWQUXIRXCO-UHFFFAOYSA-N 302.371 1.006 10 10 DDCE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NCc1cc(F)ccc1O 800540726 BGNVXEICYXNGFV-GXFFZTMASA-N 316.398 1.339 10 10 DDCE COc1cccc(CN2CCO[C@@H](CCCN(C)C)C2)c1O 827855493 FAXIGWLEPOHODO-HNNXBMFYSA-N 308.422 1.943 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@@H]2CC(c3ccccn3)=NO2)cc1 905317117 GEFGWMRZFVPWFD-KRWDZBQOSA-N 324.384 1.957 10 10 DDCE CN1CCN(c2ccc(CNC[C@H]3CCC[C@@H]3O)cc2)CC1 835083584 AYYXEKRNITWCSZ-AEFFLSMTSA-N 303.450 1.689 10 10 DDCE C[C@H](N)CNC(=O)NCc1cc(Br)ccc1O 841988405 QXRDDAZPPOVSRT-ZETCQYMHSA-N 302.172 1.301 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1ccc2c(c1)OC(F)(F)O2 845323138 DJILIKHZFLZOLF-UHFFFAOYSA-N 300.213 1.252 10 10 DDCE COC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 841140378 TUEHILMXPOLGJQ-LBPRGKRZSA-N 305.378 1.482 10 10 DDCE CCn1cnc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)c1 747272457 CBUIMCCNEQPXMF-UHFFFAOYSA-N 322.434 1.756 10 10 DDCE OCCN1CCCC[C@H]1CNCc1ccc2c(c1)CCCO2 922153977 GXTLSLYYCQJMSL-KRWDZBQOSA-N 304.434 1.948 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@]2(CO)COCCN2C)cc1 922534883 WHDYAHLBXJGWGS-XDXAGZTOSA-N 319.449 1.049 10 10 DDCE C[C@H](N)[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 841713295 XWPPWNBCIUUOIN-RYUDHWBXSA-N 324.400 1.197 10 10 DDCE CCO[C@H]1COCC[C@@H]1CC(=O)NCc1c(O)cccc1F 928710739 WOOURQRTTUUPFJ-ABAIWWIYSA-N 311.353 1.979 10 10 DDCE COC[C@@H](C)CNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852060551 VVFTWVFEXLRJCH-UONOGXRCSA-N 321.421 1.856 10 10 DDCE O=S1(=O)[C@H]2CC[C@H]1CC(NCc1ccc3c(c1)CCO3)C2 922851378 VUAFPRQGQXWQLG-GJZGRUSLSA-N 307.415 1.819 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CC(C)(CO)C3)C2)cc1 854297213 KOXVKVSLMPJGDN-CYBMUJFWSA-N 319.405 1.298 10 10 DDCE CCC(=O)N1CCC[C@H](C(=O)NCc2c(O)cccc2F)C1 928712751 YWGQLSUHWVULMA-NSHDSACASA-N 308.353 1.796 10 10 DDCE COC(=O)C(C)(C)CS(=O)(=O)N1Cc2cccc(O)c2C1 867691516 YVNMEPZKWYFZIF-UHFFFAOYSA-N 313.375 1.237 10 10 DDCE CN(C)C(=O)C1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 768442982 UZIWBPDHMFWEOY-HNNXBMFYSA-N 320.389 1.118 10 10 DDCE C[C@H](NC(=O)NC[C@H]1CN(C2CC2)C(=O)O1)c1ccccc1O 868755480 HPTFLOXOXHWZTG-JQWIXIFHSA-N 319.361 1.736 10 10 DDCE C[C@@H](NC(=O)NCCCN1CCOC1=O)c1ccccc1O 868279946 AQAHBMWBMPXXGP-LLVKDONJSA-N 307.350 1.595 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@H](Cc2cnc[nH]2)C(=O)O)cc1 1119613939 RSGLQFJWFFDVCM-QDLOVBKTSA-N 314.389 1.774 10 10 DDCE COC(=O)[C@@]12C[C@@H](NC(=O)NCc3cc(C)ccc3O)C[C@@H]1C2 876129809 URPSSCUWIMVNMC-IGCXYCKISA-N 318.373 1.842 10 10 DDCE O[C@H](CNCc1ccc2c(c1)CCO2)CC1(O)CCOCC1 872200380 PRMULFXTPJRGPK-HNNXBMFYSA-N 307.390 1.004 10 10 DDCE CNC(=O)C[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 897916215 GTHSNBRPHRIYDM-ZETCQYMHSA-N 308.359 1.567 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc(-n2cnnc2)cc1 1142534027 WVHJZJQQEWPNHF-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](Cc2ccc(O)c(O)c2)C1 1959193316 WLRXHILAIKUMCI-VXGBXAGGSA-N 308.378 1.835 10 10 DDCE O=C(CCCn1ccccc1=O)NCc1cc(O)ccc1O 1303223645 YRSICNVLKIYVET-UHFFFAOYSA-N 302.330 1.356 10 10 DDCE Oc1ccc2c(c1)O[C@@H]1c3cc(O)c(O)cc3CO[C@H]1[C@@H]2O 59727834 OPWUVOPHCMWWGJ-OAGGEKHMSA-N 302.282 1.869 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cc(O)nc(C2CC2)n1 1455318039 YROGVOOZPQYALX-UHFFFAOYSA-N 301.302 1.401 10 10 DDCE Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2C[C@H](O)[C@H](O)C2)cc1 1455976633 PCCITKBYXKCQHM-XGBSXSJOSA-N 314.385 1.708 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C12CCCN1CCC2 1632681002 KRHSPKWXYOAXEM-LBPRGKRZSA-N 304.390 1.773 10 10 DDCE C[C@H](NC(=O)CNC(=O)NCc1ccco1)c1ccccc1O 1643742046 MAHOYOMFNDWMJS-NSHDSACASA-N 317.345 1.662 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc2c(n1)OCCO2 1570462057 BSOHRWMNQYXFAK-UHFFFAOYSA-N 302.286 1.194 10 10 DDCE CCC[C@H](C)N1C[C@@H](C(=O)NCc2c(O)cccc2O)CC1=O 1652622817 ITLSRAIAUADQJB-RYUDHWBXSA-N 320.389 1.751 10 10 DDCE COc1ccc(CNC[C@@H](C)N(C)C(=O)c2nc[nH]n2)cc1C 1698847111 GMWQOYLTQLRGKN-GFCCVEGCSA-N 317.393 1.372 10 10 DDCE COCCNCc1ccc(N(CCO)CCOC)c(F)c1 164427016 IMPOCXCFBMDVRT-UHFFFAOYSA-N 300.374 1.007 10 10 DDCE Cn1nnc(Br)c1CN1CC[C@@H](CN=[N+]=[N-])C1 1912145276 FIJAMYLHYQOHCM-ZETCQYMHSA-N 300.164 1.710 10 10 DDCE CC(C)(O)CN(Cc1ccccc1)C(=O)c1cc(O)nc(O)c1 1915418289 IZRRQRJVVICHQN-UHFFFAOYSA-N 316.357 1.906 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@@H]1COCC(=O)N1 1952885481 ZODPBVPDQUMSEB-JTQLQIEISA-N 308.334 1.927 10 10 DDCE CC(C)(C)OC(=O)N1CCC[C@@H](N)[C@H]1c1cc(O)nc(O)c1 1952902443 RBASSEXVMRXFEH-ZWNOBZJWSA-N 309.366 1.892 10 10 DDCE O=C(O)C(F)(F)C1(O)CN(Cc2cc(Cl)ccc2O)C1 1974212168 ZEVBXGNPHXVKHY-UHFFFAOYSA-N 307.680 1.312 10 10 DDCE CN(C1CCC1)S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 2145485607 MILQGCZXCOSUIF-UHFFFAOYSA-N 300.336 1.231 10 10 DDCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1ccn(Cc2ccccc2)n1 1992793318 DZFAMQITGSVOQK-CQSZACIVSA-N 313.365 1.748 10 10 DDCE CN(C[C@H](O)CCN)c1ccc(CNC(=O)OC(C)(C)C)cc1 1994422004 JHVOPLNEZMDDQW-OAHLLOKOSA-N 323.437 1.857 10 10 DDCE C[S@@](=O)CC1CN(c2ccc(CN)c(Br)c2)C1 2001795205 VEYKHZYEPSUWNE-QGZVFWFLSA-N 317.252 1.723 10 10 DDCE NC[C@@]1(O)CCCN(Cc2c(O)cccc2Br)C1 2039801866 QPGALKCSLUDJJW-ZDUSSCGKSA-N 315.211 1.440 10 10 DDCE CN[C@H](c1ccccc1O)[C@@](C)(O)CS(=O)(=O)C(C)C 2170540652 VSRGMFGXPSYPEG-KGLIPLIRSA-N 301.408 1.227 10 10 DDCE C[C@H](NCc1cc2c(cc1O)OCO2)[C@H](C)S(C)(=O)=O 2170597462 OYRXCLIZVCGQLG-IUCAKERBSA-N 301.364 1.032 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)[C@H]1CCCN1c1ncccn1 2063630544 KAYPSQNYWADDAL-LLVKDONJSA-N 300.318 1.495 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H](N4CCCC4)C3)c2n1 2064436025 VSODXDRNGXSAPL-LBPRGKRZSA-N 315.377 1.054 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN1C(=O)NC1CCS(=O)(=O)CC1 2197934886 ZXAPHYULAHGYTM-SNVBAGLBSA-N 301.372 1.048 10 10 DDCE CN1CCN(c2cc(Br)c(CN)cc2F)[C@H]2C[C@H]21 2049380004 MVRIFLBLIPMHNO-OLZOCXBDSA-N 314.202 1.940 10 10 DDCE COc1ccc(Br)c(CN2CCN[C@H]3C[C@@H]32)c1O 2220455399 FAMRQUZLYTXGEC-QWRGUYRKSA-N 313.195 1.709 10 10 DDCE COC(=O)N[C@H](C)CNCc1cc(Cl)cc(OC)c1O 2290364883 INRRROZHPAKBRE-MRVPVSSYSA-N 302.758 1.888 10 10 DDCE COC(=O)C1(CS(=O)(=O)N2CCC[C@H]2CN=[N+]=[N-])CC1 2290098610 FSJADEQMYIVXIK-VIFPVBQESA-N 302.356 1.044 10 10 DDCE CC(C)(C)N1C(=O)NC(=O)C(=Cc2ccc(O)c(O)c2)C1=O 2297314440 XPVZMONAPDABPL-UHFFFAOYSA-N 304.302 1.358 10 10 DDCE Cc1ccc(CN2CC(C(=O)O)C2)c(O)c1Br 2307479061 DVPVNFWGCRFLPZ-UHFFFAOYSA-N 300.152 1.980 10 10 DDCE CN(C)c1ccc(C=c2sc3nc(C4CC4)nn3c2=O)cc1 2326112303 VJJQMRTUEJNXAG-UHFFFAOYSA-N 312.398 1.642 10 10 DDCE Cc1ccc(CNC(=O)[C@]2(C)CCN2)c(O)c1Br 2327591641 LFKIUUMSFIPZQS-ZDUSSCGKSA-N 313.195 1.831 10 10 DDCE O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/Nc1ccccc1O 100460681 JXNWMSXYRCPRJJ-ZRDIBKRKSA-N 323.308 1.971 10 10 DDCE C[C@H](NCC(C)(C)C(N)=O)c1ccc(N2CCC(O)CC2)cc1 183206741 AQRXOAVODVUTSG-ZDUSSCGKSA-N 319.449 1.810 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)CCOCCF 2365578877 ACDRPKUMPVLJQW-LLVKDONJSA-N 305.371 1.701 10 10 DDCE Cn1ccnc1-c1nnc(NCc2cc([N+](=O)[O-])ccc2O)o1 195030553 ADCZGBITYACRSS-UHFFFAOYSA-N 316.277 1.696 10 10 DDCE O=S1(=O)CCCN1CCNCc1cc(Cl)c(F)cc1O 293647769 OOJVIDKYKWLJMO-UHFFFAOYSA-N 322.789 1.310 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)N[C@@H]2CNCCC2(F)F)c1 817980308 KSKFJDAYPDPUFT-TVQRCGJNSA-N 314.332 1.827 10 10 DDCE CCOc1ccc(CNC[C@H]2CCCCN2CCO)c(O)c1 824583800 QZYHPSLCINHZDJ-OAHLLOKOSA-N 308.422 1.727 10 10 DDCE O=S(=O)(C[C@@]12CCCN(CC1)C2)NCc1ccccc1O 914141045 WWBODBIGUQBSKU-HNNXBMFYSA-N 310.419 1.298 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)cc1 844303678 ADEZCZUCVCRKMU-KDQZPGIASA-N 313.401 1.284 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@]12C[C@H]3C[C@H](C(=O)N1)[C@H]2C3 845790884 FZJQSMJKTHBXBU-JCKZUZKGSA-N 300.358 1.265 10 10 DDCE CN(C)c1ccc(CN2C(=O)N[C@H](c3ccnn3C)C2=O)cc1 843305071 GOFBNFQXISKCTD-CQSZACIVSA-N 313.361 1.279 10 10 DDCE COc1ccc(N2CC[C@H](NS(=O)(=O)CC(C)C)C2)cc1 849416343 PITKAWZNBSIOQM-ZDUSSCGKSA-N 312.435 1.849 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CCCN3)C2)cc1 851664572 FVQALGMTMUCZNN-UONOGXRCSA-N 318.421 1.325 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCN(C)C3)C2)cc1 855226945 VBXRFCMONWWKES-ZIAGYGMSSA-N 303.406 1.342 10 10 DDCE COc1ccc(N2CC[C@@H](N[C@H]3CCCS(=O)(=O)C3)C2)cc1 850487146 GLIYLWWIGWXUJX-KGLIPLIRSA-N 324.446 1.441 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 935310801 MRSXXHDQACPXBG-PQPNXTLLSA-N 303.358 1.568 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cnn(Cc2ccccn2)c1 1136550978 IMQYVBLIQAVPLM-UHFFFAOYSA-N 324.340 1.919 10 10 DDCE CN(C)C(=O)C1(CNC(=O)Cc2ccc(O)c(O)c2)CCCC1 1136766464 ORZFNKARAWVCMA-UHFFFAOYSA-N 320.389 1.405 10 10 DDCE NC(=O)[C@H]1CNCCN1c1ccc(OCc2ccccc2)cc1 1899860574 OTUMLJZUCRGIDX-QGZVFWFLSA-N 311.385 1.529 10 10 DDCE CC(=O)C(=O)[C@]1(O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 1961762571 MWMIQIWBYDQOMZ-UVBJJODRSA-N 311.378 1.543 10 10 DDCE Cc1nn(CC(=O)N2Cc3cccc(O)c3C2)c2ncccc12 1175037106 CODWARCZBAPXEE-UHFFFAOYSA-N 308.341 1.988 10 10 DDCE C[C@]12CCC(=O)N1[C@H](C(=O)NCc1cc(O)ccc1O)CS2 1176747871 DJKJVMJBIWFGTL-NHYWBVRUSA-N 322.386 1.168 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCNC(=O)CC1 1324539882 CKBCEBUJZICHNB-PWSUYJOCSA-N 306.362 1.061 10 10 DDCE CCOC[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1330473140 UXGXKZYNOFUDNI-LBPRGKRZSA-N 318.373 1.119 10 10 DDCE CC(C)(C)N1CCC[C@H](C(=O)NCc2cccc(O)c2O)C1=O 1347234026 LYENCTDUDYPCGN-GFCCVEGCSA-N 320.389 1.751 10 10 DDCE CN(CCOCC1CC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1348640464 TXEGOPHVJOUDOF-UHFFFAOYSA-N 318.373 1.119 10 10 DDCE O=C(Cn1nnnc1-c1ccsc1)NCc1ccccc1O 1294925571 OZNPQZFMRCLYPO-UHFFFAOYSA-N 315.358 1.424 10 10 DDCE NS(=O)(=O)CCCCCC(=O)N1Cc2cccc(O)c2C1 1471355617 NIRUQZZXYMINEN-UHFFFAOYSA-N 312.391 1.083 10 10 DDCE CCn1nncc1CNC(=O)c1ccc(N=NC(N)=O)cc1 1470402518 AZGIQDAJSDVTAD-UHFFFAOYSA-N 301.310 1.390 10 10 DDCE NC(=O)CCN(C(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1542725993 KDAFCYZPDDQTRQ-UHFFFAOYSA-N 314.341 1.549 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@@H]1CCC(=O)N1 1628950615 IUGNWGCMQIVMMP-HNNXBMFYSA-N 315.417 1.914 10 10 DDCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nn1ccnn1 1628104451 YOHRMTGVBBQQDI-UHFFFAOYSA-N 309.329 1.882 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@H]1COc2ccccc2O1 1558533411 AQWIWYDEGGSKNV-OAHLLOKOSA-N 301.298 1.554 10 10 DDCE C[C@H](CC(=O)NCc1cc(O)ccc1O)NC(=O)C1CCCC1 1637126468 ZONBXZOCQFPHFQ-LLVKDONJSA-N 320.389 1.799 10 10 DDCE CCO[C@@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)[C@]12CCCO2 1633709537 CBZFQJQNKKMSLA-ZMSDIMECSA-N 321.373 1.483 10 10 DDCE Cc1c[nH]c(CNC(=O)/C=C/c2ccc(O)c(O)c2)c(C)c1=O 1636154087 XXZWEUODQRYFHY-GQCTYLIASA-N 314.341 1.733 10 10 DDCE COC[C@H](C)N(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1731797825 YDJDEXAKXQYFOZ-NSHDSACASA-N 321.381 1.546 10 10 DDCE C[C@@H](NC(=O)NCc1nnn(C(C)(C)C)n1)c1ccccc1O 1686906129 HTDSEBIOGKMPHZ-SNVBAGLBSA-N 318.381 1.694 10 10 DDCE OCc1ccc(N2C[C@H](O)C(F)(F)C2)cc1Br 1946656238 GTTLRMVSVCWJSJ-JTQLQIEISA-N 308.122 1.758 10 10 DDCE C[C@H](c1ccccc1O)N(C)CCCS(=O)(=O)N(C)C 2143454000 KEAJJNPAAIMFPZ-GFCCVEGCSA-N 300.424 1.667 10 10 DDCE OCc1ccc(N2CC([C@@H](F)CO)C2)cc1Br 2001919146 BQXDBUFRXCWDQH-LBPRGKRZSA-N 304.159 1.708 10 10 DDCE O=[N+]([O-])c1cc2c(cc1N1CCC3(C1)OCCO3)OCCO2 396530125 KTJGEFDNVKIILV-UHFFFAOYSA-N 308.290 1.319 10 10 DDCE CS(=O)(=O)N1CCC(CN2CCC[C@@H]2CN=[N+]=[N-])CC1 2179619182 PSRORYVOUKOUML-GFCCVEGCSA-N 301.416 1.433 10 10 DDCE CCn1nnnc1Sc1ncc(CNCCOC)s1 2099103170 KSXNZLVHSZCQOJ-UHFFFAOYSA-N 300.413 1.037 10 10 DDCE C[C@@H]1CC[C@H](COc2nnc(=N)[nH]n2)N(C(=O)OC(C)(C)C)C1 2210643333 JGIRPNMRVVTDRJ-NXEZZACHSA-N 324.385 1.094 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCNC2(C)C)s1 2349501250 QPICEJCMQKDPIX-LBPRGKRZSA-N 301.437 1.550 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3[C@H]4CC[C@H]3CC(O)C4)c(Cl)cc21 118706607 JBPNWCLTVJEYSV-RDOZXCAGSA-N 307.781 1.784 10 10 DDCE O[C@H]1CCC[C@@H]1CNCc1ccc(N2CCOCC2)c(F)c1 304340376 PKAGSUDNPAHSHB-PBHICJAKSA-N 308.397 1.913 10 10 DDCE COc1ccc(CN2CCO[C@H](Cn3cc(C)cn3)C2)c(O)c1 122501506 MRAVACWXXFZCNK-INIZCTEOSA-N 317.389 1.807 10 10 DDCE C[C@@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)CC(F)(F)F 2360199661 AKNJVFQVFPIZRC-ZETCQYMHSA-N 310.297 1.573 10 10 DDCE Nc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 36283891 YZICKRGPXHMUKF-UHFFFAOYSA-N 303.343 1.564 10 10 DDCE COc1ccc(N2CCN(C(=O)c3cc(C)no3)CC2)cc1 39517088 ICKRYLIPRGFFJR-UHFFFAOYSA-N 301.346 1.954 10 10 DDCE CC(C)c1nsc(N(CC(N)=O)Cc2ccc(N)cc2)n1 87642951 LWBMYRDUXAYGCI-UHFFFAOYSA-N 305.407 1.736 10 10 DDCE CCn1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(O)c(O)c2)n1 191856969 QNFAFDBRFMRSIZ-UHFFFAOYSA-N 320.305 1.195 10 10 DDCE CN(CCS(C)(=O)=O)c1ccc(/C=C/C(=O)O)c(Cl)c1 234305036 VEXNSQSWTBTXGS-GQCTYLIASA-N 317.794 1.919 10 10 DDCE O=C1CN(Cc2cc3c(cc2O)OCO3)[C@@H]2CCCC[C@H]2N1 245556670 JDBPMICYTAUWHX-VXGBXAGGSA-N 304.346 1.364 10 10 DDCE O=C(O)c1cc(NS(=O)(=O)CC[C@H]2CCOC2)ccc1O 296999639 QTQYUKHOLFQXBE-SECBINFHSA-N 315.347 1.259 10 10 DDCE CN1CCC[C@@H](C(=O)NCCCSc2nccs2)C1=O 823298104 OCLJZNAABFLPDP-JTQLQIEISA-N 313.448 1.610 10 10 DDCE COc1cccc(CNC(=O)NCc2cccc(OC)c2O)n1 745789354 IZTVWWLQFWHVGG-UHFFFAOYSA-N 317.345 1.804 10 10 DDCE C[C@H]1[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C 915367073 VHHHYZXEKKYMRL-FZMZJTMJSA-N 308.401 1.784 10 10 DDCE CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)NCCc1ccc(N)cc1 841957872 FECMPCZYGPUNCF-GJZGRUSLSA-N 323.437 1.269 10 10 DDCE NCc1ccc2c(c1)CCCN2CC(=O)NC[C@H]1CCCO1 843349804 DGFLVYMIUQKFIO-OAHLLOKOSA-N 303.406 1.193 10 10 DDCE NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C3(F)CC3)cc2)C1 843535175 SDIXFDZWYZGTQY-ZDUSSCGKSA-N 319.380 1.507 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](O)c2ccnn2C)c1 927128463 CTKXBCZJGRSECN-BMIGLBTASA-N 319.361 1.297 10 10 DDCE COc1ccc(N2CC[C@H](N[C@H]3CCCS(=O)(=O)C3)C2)cc1 850487145 GLIYLWWIGWXUJX-KBPBESRZSA-N 324.446 1.441 10 10 DDCE COc1cc(O)c(CN2CC[C@H](Cn3ccnn3)C2)cc1OC 853526471 ZAAJVQGCHAEOFD-LBPRGKRZSA-N 318.377 1.523 10 10 DDCE CC(C)NC(=O)[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 853602141 OPAOVENQENZEGI-GFCCVEGCSA-N 320.389 1.858 10 10 DDCE Cc1ncc([N+](=O)[O-])n1Cc1ccc(N2CCOCC2)cc1 877887152 CWSLLASGTZYUBX-UHFFFAOYSA-N 302.334 1.985 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCC[C@H]3CCNC(=O)[C@H]32)c1O 880528192 ZANSGUNCMAUFRU-NHYWBVRUSA-N 320.364 1.834 10 10 DDCE COC(=O)c1ccc(NC(=O)c2ccc(C)c(O)c2O)cn1 782811509 SIWSCLQQDNJLSG-UHFFFAOYSA-N 302.286 1.840 10 10 DDCE O=C(N[C@H](CO)c1ccc(F)cc1F)c1cccc(O)c1O 1148517109 NLOOPHJHUBRODW-GFCCVEGCSA-N 309.268 1.839 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1CN(c2ccc(N)cc2)CCO1 1959563560 BKTMPUVEQGOMLG-CQSZACIVSA-N 307.394 1.999 10 10 DDCE C[C@]1(CO)C[C@H](O)CN1c1ccc(CO)cc1Br 704569921 OTUPBRPDKSIHCO-GXFFZTMASA-N 316.195 1.263 10 10 DDCE COCCN[C@@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1275581096 YBGUXSMCRKUHDF-QWRGUYRKSA-N 321.381 1.592 10 10 DDCE Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cc(Cl)ccc1O 1452936588 PZGGPCIQLIRMAK-UHFFFAOYSA-N 310.697 1.617 10 10 DDCE COC(=O)C12CCC(C(=O)NCc3c(O)cccc3O)(CC1)C2 1456323473 SGDZLSPYDWZESU-UHFFFAOYSA-N 319.357 1.838 10 10 DDCE COC(=O)c1coc(/C=C\C(=O)NCc2ccc(O)c(O)c2)c1 1294868902 IFXKEVFKVGEUMW-HYXAFXHYSA-N 317.297 1.807 10 10 DDCE Cc1nn(C)c(C(=O)NCc2c(O)cccc2F)c1[N+](=O)[O-] 1472622210 HLXDRRVPAUSOKS-UHFFFAOYSA-N 308.269 1.411 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H](CCO)C(F)(F)F)cc1 1558389228 SMFLWWHEXGZOLO-VIFPVBQESA-N 318.255 1.892 10 10 DDCE CCN1CC[C@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 1630351453 QIWRMCDUCCVKTE-INIZCTEOSA-N 319.474 1.950 10 10 DDCE CNc1c(C(=O)NCc2ccc(O)cc2O)cccc1[N+](=O)[O-] 1639444457 MKCYCESVMRIFNP-UHFFFAOYSA-N 317.301 1.978 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)[C@H](O)c1cnn(C)c1 1634012390 NWOYYLWKWHKJIU-MRXNPFEDSA-N 317.389 1.988 10 10 DDCE COCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C 169813105 VRQYTDOPCZBOET-OAHLLOKOSA-N 302.378 1.338 10 10 DDCE OCc1ccc(N2CC[C@@](F)(CO)C2)cc1Br 1917141981 YPDUEXJWLXXOFY-LBPRGKRZSA-N 304.159 1.852 10 10 DDCE CC(=O)C(=O)[C@@]1(O)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 1939525859 FZGLDBBYAXJUHW-ROUUACIJSA-N 317.385 1.331 10 10 DDCE OCc1ccc(N2CC[C@@H](O)[C@H](F)C2)c(Br)c1 1941014722 CWKVPRCKNHXJJU-ZYHUDNBSSA-N 304.159 1.851 10 10 DDCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)C(=O)O 1977839192 KKAVXHFJDNKXPG-ZDUSSCGKSA-N 323.393 1.559 10 10 DDCE CS(=O)(=O)c1sccc1C(=O)NCc1ccc(N)cc1 2150558003 USTQHXMSGMALBR-UHFFFAOYSA-N 310.400 1.664 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@@H](NCc2ccc(F)c(F)c2O)C1 2145392644 PJEXYANSWURVQG-NXEZZACHSA-N 305.346 1.726 10 10 DDCE Nc1ccc(NC(=O)CCN2CCCC3(C2)OCCO3)cc1 316736656 HJBRWPDINTZMJY-UHFFFAOYSA-N 305.378 1.436 10 10 DDCE CCN(CCS(C)(=O)=O)c1ccc([C@@H](C)NC)c(O)c1 688605941 ZZTLUWZBEURTFV-LLVKDONJSA-N 300.424 1.544 10 10 DDCE CN(CCOCCN)Cc1cc(Br)cc(F)c1O 715794254 AFSRTXBIERTCNK-UHFFFAOYSA-N 321.190 1.701 10 10 DDCE Cn1cc(Br)c(CNC(=O)Cc2ccc(N)cc2)n1 393362422 HKYOUOGVGDVPAM-UHFFFAOYSA-N 323.194 1.624 10 10 DDCE CC(C)(C)OC(=O)N1[C@@H](COc2nnc(=N)[nH]n2)CCC1(C)C 2210646009 XVTRFODRBMPDHN-SECBINFHSA-N 324.385 1.236 10 10 DDCE C[C@@H]1CC[C@@](COc2nnc(=N)[nH]n2)(NC(=O)OC(C)(C)C)C1 2210649238 GDALWKFMHIXTDY-YMTOWFKASA-N 324.385 1.141 10 10 DDCE CCN(CCS(C)(=O)=O)c1ccc(CNC)c(OC)c1 2204546102 XWCAPSOUGZFYDQ-UHFFFAOYSA-N 300.424 1.286 10 10 DDCE CSc1ncc(CNC(=O)N2CC(CCC(=O)O)C2)s1 2284544650 RHZCGDWWEWLZOM-UHFFFAOYSA-N 315.420 1.871 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@@H](CC(=O)O)C2)s1 2284506459 FQTWMOKNPPINOB-QMMMGPOBSA-N 315.420 1.871 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)CC(C)(C)CO 2290033828 WTDOZVPRPQKAEG-LLVKDONJSA-N 301.408 1.733 10 10 DDCE CCN1CCN(CCCC(=O)c2ccc(O)c(O)c2O)CC1 23247634 CHMCTCIESFIOFS-UHFFFAOYSA-N 308.378 1.404 10 10 DDCE CNCc1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1Cl 2336333256 GQEQUGWJZPFZMV-ZWNOBZJWSA-N 300.811 1.293 10 10 DDCE CC1=NN(C(N)=S)C(=O)[C@H]1/N=N/c1ccc(C(=O)O)cc1 105571317 TXXGWWBTJNMGPS-SOLLPLKKSA-N 305.319 1.299 10 10 DDCE COc1ccc(N2CCCN(C(=O)c3ccnnc3)CC2)cc1 178214237 CMUUGFCIITYICN-UHFFFAOYSA-N 312.373 1.838 10 10 DDCE CN(Cc1nncn1C)c1ccc(CN)cc1Br 311217589 SMYPVIQMDKQQBB-UHFFFAOYSA-N 310.199 1.673 10 10 DDCE CCNCc1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)cc1Cl 2361608443 FUSONDPLDVXBNX-FZMZJTMJSA-N 314.838 1.683 10 10 DDCE COc1ccc(N2CCN(c3nc(C)nc(N)n3)CC2)cc1 319689289 SDFSLKLOYZXLGH-UHFFFAOYSA-N 300.366 1.097 10 10 DDCE C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)CCN1CC(C)(C)O 189919548 JKAKZUDFJOZHFU-GFCCVEGCSA-N 323.393 1.577 10 10 DDCE CC(=O)N[C@H]1CCN(c2ccc(CN)c(Br)c2)C1 228155413 APIOTGFHFCCGER-NSHDSACASA-N 312.211 1.623 10 10 DDCE COc1cc(Cl)c(N(C[C@H](C)O)C[C@H](C)O)c(OC)c1 2368271347 SBRHOCCCMSYFMB-UWVGGRQHSA-N 303.786 1.925 10 10 DDCE O=C1NC(=O)[C@@]2(CCCN(Cc3cccc(Cl)c3O)C2)N1 193462758 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COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)C1 840416352 KYYYKKLXKVRAGI-KGYLQXTDSA-N 321.373 1.734 10 10 DDCE C[C@@H](NS(=O)(=O)CC1CC1)c1ccc(N2CCOCC2)cc1 748054008 PHDKXKHUZINSBU-CYBMUJFWSA-N 324.446 1.914 10 10 DDCE Cc1cc(O)c(CN(C)[C@H]2CCS(=O)(=O)C2)c(Cl)c1 840908058 NYGOHZYCJXYSLG-JTQLQIEISA-N 303.811 1.973 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cc3cc[nH]n3)C2)cc1 855232215 RDMPQVZSFRTEQP-CYBMUJFWSA-N 300.362 1.356 10 10 DDCE CC[C@H](NC[C@]12COCCN1C(=O)OC2)c1ccc(C)cc1O 866522250 UITBGBNVCGCDEO-WMLDXEAASA-N 320.389 1.963 10 10 DDCE COC(=O)[C@@H](C[C@H]1CCCOC1)NCc1cc(OC)ccc1O 862516649 WKTHKSKQEUMBQX-IUODEOHRSA-N 323.389 1.849 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CN(CCCN=[N+]=[N-])[C@@H]2COC[C@@H]12 1962299681 NFPNAQVQBOPYBI-QJPTWQEYSA-N 311.386 1.911 10 10 DDCE COC(=O)[C@@H]1C[C@@H](O)CN1C/C=C/c1ccc(N(C)C)cc1 1325320745 WETVYMMCOYYAEI-SGFLJFKBSA-N 304.390 1.374 10 10 DDCE C[C@H](NCc1ccc(N2CCCC2)cc1)c1nnc(O)n1C 1332013741 ZFGWTSQIOWSFEW-LBPRGKRZSA-N 301.394 1.972 10 10 DDCE 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CN(C)c1ccc(CNC(=O)N2CC[C@@]3(O)C[C@H]3C2)cc1F 1328555928 GDVLLMQLAAKQOV-BLLLJJGKSA-N 307.369 1.558 10 10 DDCE CNCc1ccc(N(C)[C@H]2COC[C@H]2O)c(Br)c1 708076254 UVUBIUJIPKXJJZ-QWHCGFSZSA-N 315.211 1.364 10 10 DDCE CCCN(Cc1cccc(F)c1O)[C@H]1CCS(=O)(=O)C1 778994622 HGPQOCACHLMTDX-LBPRGKRZSA-N 301.383 1.930 10 10 DDCE CNC(=O)CCNCc1c(Br)ccc(OC)c1O 1964544470 GYDIWKAFQCIZGD-UHFFFAOYSA-N 317.183 1.389 10 10 DDCE CCCC(=O)N(C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1510432206 SKHOPCSIJXXLEX-NSHDSACASA-N 323.393 1.476 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 1297200083 WKVQKQRLEYCXLW-OAHLLOKOSA-N 315.333 1.201 10 10 DDCE COc1cc([C@@H]2CNCCN2C(=O)OC(C)(C)C)cc(O)c1O 1535974745 JETLFICKIIXREB-NSHDSACASA-N 324.377 1.988 10 10 DDCE CCCCN(C)C[C@@H]1OC[C@@H](NCc2ccccc2O)[C@@H]1O 1614976597 OVNBSGAWBBHKFS-PVAVHDDUSA-N 308.422 1.342 10 10 DDCE CCn1ncc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1 1557633407 CVCVDYVFWKUXCE-UHFFFAOYSA-N 318.358 1.854 10 10 DDCE CN1CCC[C@@H]1c1cc(C(=O)NCc2cc(O)ccc2O)n[nH]1 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O=C1CC(CS(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 2236169378 YOOKWKJKVXFFAI-UHFFFAOYSA-N 300.292 1.021 10 10 DDCE NCc1ccc(N2CCC[C@@H]2CC(N)=O)cc1Br 2257941803 JHRQNZWZRYZDFP-SNVBAGLBSA-N 312.211 1.752 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@@H]2CC[C@H](CO)C2)s1 2269092792 KSWFXXMMGQZMCE-WCBMZHEXSA-N 322.477 1.445 10 10 DDCE COCC[C@]1(CNCc2cnc(SC)s2)CCNC1 2269319743 LNPMLAJMXZNKOS-CYBMUJFWSA-N 301.481 1.971 10 10 DDCE CN(C(=O)/C=C\c1cnccn1)c1ccc(S(C)(=O)=O)cc1 491291084 LLFATDFPATYPAX-BAQGIRSFSA-N 317.370 1.556 10 10 DDCE C[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)[C@H](C)N1CCOCC1 2308000864 UWPCPCVAEPCBOA-STQMWFEESA-N 320.389 1.336 10 10 DDCE Cc1ccc([C@@](C)(O)CNC(=O)c2ccc(C)c(O)c2O)o1 179528988 WVMBNBVLKYDWIO-INIZCTEOSA-N 305.330 1.945 10 10 DDCE NC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(F)ccc1O 179888298 VRQCBTFJBCZMNY-OAHLLOKOSA-N 300.333 1.944 10 10 DDCE C[C@H](NC(=O)c1ccnnc1)c1ccc(N2CCOCC2)cc1 130859998 ZXOAGKCXASWQJU-ZDUSSCGKSA-N 312.373 1.804 10 10 DDCE COc1cc(Cl)c(N2CC(CCN)(OC)C2)c(OC)c1 2368111975 BSQBIWGGQXPAPX-UHFFFAOYSA-N 300.786 1.911 10 10 DDCE CC(C)Oc1ccc(N(C)CCCNS(C)(=O)=O)cc1 191594443 QOLZYZVJHAPPBM-UHFFFAOYSA-N 300.424 1.849 10 10 DDCE CN(C)C[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 191153983 LXBPRUXZKMWGSB-SNVBAGLBSA-N 302.777 1.947 10 10 DDCE O=C(c1cccc(O)c1O)N1CCO[C@@H](c2nccs2)C1 193062270 NKAXWRBAXUAGDV-LLVKDONJSA-N 306.343 1.768 10 10 DDCE CC(=O)N(C(=O)NCCCN1CCCC1=O)c1ccc(N)cc1 242783555 DYIGUFWIBZBWQD-UHFFFAOYSA-N 318.377 1.344 10 10 DDCE CCNCCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255833369 JXTBKVLIKKOHNE-YVMONPNESA-N 303.406 1.262 10 10 DDCE Cc1[nH]nc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1C 265255927 SYVUBVBMOWDCFC-UHFFFAOYSA-N 314.389 1.793 10 10 DDCE CCCc1c(C(=O)OCC(=O)C(C)=O)[nH]c(C)c1C(=O)OC 808507080 YFWQYNNQBBPXTH-UHFFFAOYSA-N 309.318 1.377 10 10 DDCE NC(=O)[C@@H]1CCCN(c2ccc(CNC[C@H](O)C3CC3)cc2)C1 818967738 AIDZUWHXOONLMO-WBVHZDCISA-N 317.433 1.249 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H](O)C3CCC3)CC2)cc1F 826970411 LMMCXPKXRYGBDZ-MRXNPFEDSA-N 322.380 1.644 10 10 DDCE COc1cc(O)c(CN[C@@H]2C[C@H](C)n3ncnc32)cc1OC 826889009 PCMUCIWYYFNQJY-GXSJLCMTSA-N 304.350 1.797 10 10 DDCE COCCNC(=O)C1(NC/C=C\c2ccc(N(C)C)cc2)CC1 839193596 UAWJIVNGJDLLGN-PLNGDYQASA-N 317.433 1.651 10 10 DDCE Oc1cc2c(cc1CNC[C@H]1CNCCC1(F)F)OCO2 903954932 ITQHHGDQDKGAHO-SNVBAGLBSA-N 300.305 1.455 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)N[C@H](CN)C(F)(F)F 848598396 KJGMMMBGXUNPFS-RDDDGLTNSA-N 321.299 1.218 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CCOC[C@@H]2CC2CCC2)cc1 841136080 SSGKAINWUKOQEK-HNNXBMFYSA-N 317.389 1.625 10 10 DDCE CC(C)N(C)S(=O)(=O)NNc1nc2cccnc2s1 857226058 ZFQZADAZKOQFAM-UHFFFAOYSA-N 301.397 1.193 10 10 DDCE C[C@@H](NC[C@H]1CC2(CCNCC2)C(=O)O1)c1cc(F)ccc1O 925859191 WDUDUKKRLXSQTG-DGCLKSJQSA-N 322.380 1.867 10 10 DDCE COc1ccc(N2CCCN(C(=O)CC3(N)CC3)CC2)cc1 852861996 PIVSTBFDMWHPJW-UHFFFAOYSA-N 303.406 1.615 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC[C@H](OC)[C@H]2CCOC2)c1 850484456 JEONIZXDQLZHHE-RBOXIYTFSA-N 323.389 1.881 10 10 DDCE CCn1nccc1S(=O)(=O)Nc1ccc(O)cc1C(C)=O 769865935 REAAQXZFGYSERS-UHFFFAOYSA-N 309.347 1.612 10 10 DDCE CC(C)[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1 1117896016 QJOZDKMMTNPYHI-ZDUSSCGKSA-N 304.390 1.855 10 10 DDCE CNC(=O)CCOC1CCN(Cc2cc(F)ccc2O)CC1 779033054 NNUJOAOOEVVSHE-UHFFFAOYSA-N 310.369 1.648 10 10 DDCE COc1ccc(CNC(=O)Nc2cn(C)nc2OC)c(O)c1 797649797 SFBVVHDCAMKYAP-UHFFFAOYSA-N 306.322 1.465 10 10 DDCE Cc1cc(Cl)cc(CNCc2nnc3n2CCOC3)c1O 792193737 ZEJLCWRWFLUZJY-UHFFFAOYSA-N 308.769 1.766 10 10 DDCE COC1=C(C(=O)O)NC(=O)N[C@@H]1c1c(O)ccc2ccccc12 76256211 KHIPZVFAHTVWJL-GFCCVEGCSA-N 314.297 1.842 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1COC2(CCC2)C1 1334547649 DKAINBVIGTWEMT-CYBMUJFWSA-N 318.373 1.178 10 10 DDCE CCCCCN(CCO)C(=O)C(=O)N1Cc2cccc(O)c2C1 1331939219 VMSUPZBLFUMOEM-UHFFFAOYSA-N 320.389 1.246 10 10 DDCE O=C1C[C@H](C(=O)NCc2ccc(O)cc2O)c2ccccc2N1 1299571313 TWXKWBMYOVDBCW-ZDUSSCGKSA-N 312.325 1.840 10 10 DDCE Cc1cncc(/C=C/C(=O)N2CCCc3ccc(C(N)=O)nc32)c1 1527850255 LCWGNQUTZCFURO-QPJJXVBHSA-N 322.368 1.877 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCn2ncnc21 1469877687 SFMZWXHEIUQONZ-LLVKDONJSA-N 306.753 1.831 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)CCN1CC[C@@H](F)C1 1465409067 NKOGQJNKLNDBFN-CYBMUJFWSA-N 321.396 1.912 10 10 DDCE Cn1cc(C(=O)CCC(=O)NCc2cc(O)ccc2O)cn1 1471662120 OWGWVYXTBGBQLH-UHFFFAOYSA-N 303.318 1.111 10 10 DDCE C[C@H](C(=O)NCc1ccc(O)cc1O)n1nnnc1C(C)(C)C 1557084503 BSRGGGHOJLLJCN-SECBINFHSA-N 319.365 1.259 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)C2CC(C)C2)cc1C 1725528711 PBHCIGYLOBDKNT-VDSRIPIWSA-N 320.433 1.616 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCCN(CC(F)F)CC1 1631975029 RJKBNHUXEOGKDT-UHFFFAOYSA-N 314.332 1.440 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ncoc1[C@H]1CCCO1 1643104220 QSQCHQTVNDSXEV-GFCCVEGCSA-N 304.302 1.867 10 10 DDCE CC(C)c1nnc(CCC(=O)NCc2cc(O)ccc2O)o1 1644754450 XIKAHKZRBCUNFF-UHFFFAOYSA-N 305.334 1.853 10 10 DDCE C[C@@H](Oc1ccc(C=O)cc1)C(=O)NCc1c(O)cccc1O 1597574670 PWWAAXWDIYEASW-LLVKDONJSA-N 315.325 1.994 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(CC(F)F)CC1 1772911284 BLCAPPICHAYCPS-RQOWECAXSA-N 312.316 1.520 10 10 DDCE C[C@H](Oc1cccc(/C=C2\SC(=S)N(N)C2=O)c1)C(=O)O 16905029 NDWGGWLPHWEERQ-LOBLAWFCSA-N 324.383 1.613 10 10 DDCE CCOc1cc(CNCCNC(C)=O)ccc1N1CCCC1 211891612 UYLLUMJNAMLPHB-UHFFFAOYSA-N 305.422 1.911 10 10 DDCE CCCCOCCOC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878910 NTVAAAWVBTWLNO-UHFFFAOYSA-N 305.338 1.218 10 10 DDCE CC[C@H](NCCCS(=O)(=O)N(C)C)c1ccccc1O 1969538240 JKLLNZRLNUHZPD-ZDUSSCGKSA-N 300.424 1.714 10 10 DDCE CNCc1ccc(N2CC([S@@](C)=O)C2)c(Br)c1 2004532078 VNTXLFJBCIBJFO-QGZVFWFLSA-N 317.252 1.736 10 10 DDCE CN1CCOC[C@H]1CNCc1c(O)cccc1Br 706842105 LJACGXUZXXJUKQ-SNVBAGLBSA-N 315.211 1.575 10 10 DDCE Oc1ccc([C@H]2CN[C@@H](c3ccc(O)c(O)c3)CN2)cc1O 2059964751 KNOWUIVBMKCGSP-VXGBXAGGSA-N 302.330 1.484 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCCC[C@H]3C[C@@H](C)O)c2n1 2063654455 UCSMHGFCKSYQAJ-NEPJUHHUSA-N 318.377 1.509 10 10 DDCE Nc1ccc(CS(=O)(=O)NOCC(F)(F)C(F)F)cc1 2191641370 ACWYOBPHEVSMOK-UHFFFAOYSA-N 316.276 1.520 10 10 DDCE Nc1ccc(CCN=c2[nH]cnc(N)c2Br)cc1 2053706038 FFSJXFZMCBBMGU-UHFFFAOYSA-N 308.183 1.480 10 10 DDCE Oc1cccc(Br)c1CNCC1COCCOC1 2067781261 ZDJFNPCKMNWQOP-UHFFFAOYSA-N 316.195 1.907 10 10 DDCE CNCc1ccc(N(C)CCn2cncn2)c(Br)c1 2113777407 IBTCTAPLIYBAOM-UHFFFAOYSA-N 324.226 1.896 10 10 DDCE C[C@H](O)c1ccc(N2CC(O)(CCO)C2)cc1Br 2258288427 MVRFHGAJOUMSLL-VIFPVBQESA-N 316.195 1.436 10 10 DDCE CSc1ncc(CNC(=O)COC2CCNCC2)s1 2269094258 RDCUVXWUPXJIMB-UHFFFAOYSA-N 301.437 1.250 10 10 DDCE COC(=O)Cn1nnnc1Sc1ncc(C(C)(F)F)s1 2279180278 DYXFYCUNFQYBGR-UHFFFAOYSA-N 321.334 1.566 10 10 DDCE CSc1ncc(CNC(=O)CCOC2CCNCC2)s1 2284504481 MZVNNQTZOYBWBS-UHFFFAOYSA-N 315.464 1.640 10 10 DDCE CSc1ncc(CNC(=O)Cn2cncc2C(=O)O)s1 2284551394 LHFUHWZAINEBFQ-UHFFFAOYSA-N 312.376 1.076 10 10 DDCE CSc1ncc(CN2C(=O)[C@H](C(C)C)NC(=O)[C@@H]2C)s1 2284665271 KUQYJSKSAPWHMJ-WPRPVWTQSA-N 313.448 1.737 10 10 DDCE Cc1cc([N+](=O)[O-])cc2c1NC(=O)C2=C1SC(=S)NC1=O 2296977183 ZIBCSELWILQDGM-UHFFFAOYSA-N 321.339 1.714 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)NC[C@H]1CCCN1 2301657339 XHKAJKMGRGQVHN-MRXNPFEDSA-N 315.417 1.405 10 10 DDCE Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]2N)c(O)c1Br 2327597420 WFMOGPJBZGBYLX-ZJUUUORDSA-N 313.195 1.817 10 10 DDCE COc1c(O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34 12153115 FAARLWTXUUQFSN-UHFFFAOYSA-N 316.221 1.616 10 10 DDCE biogenic COC(=O)[C@@H]1C[C@H]1C(=O)NCCCSc1nccs1 114374184 LIFGZDDFORVQBJ-RKDXNWHRSA-N 300.405 1.551 10 10 DDCE C[C@H](O)C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 111285613 QLUIREJDCZILEP-AWEZNQCLSA-N 319.449 1.462 10 10 DDCE COc1cccc(CNC(=O)c2cccc(-n3cncn3)c2)c1O 115712058 MTIADHKRWPFOGF-UHFFFAOYSA-N 324.340 1.912 10 10 DDCE O=C(NCc1ccnc(-n2ccnc2)c1)c1cccc(O)c1O 189194184 ZXLSHSGPYKMFTG-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CCO[C@H]1C[C@@](O)(CNCc2cc([N+](=O)[O-])ccc2O)C1(C)C 188911110 JPCNVHQLVOSULX-GOEBONIOSA-N 324.377 1.956 10 10 DDCE O=c1c(=Cc2ccc(O)c(O)c2)sc2nc3ccccc3n12 254392546 PZIZLKJGPGUSCJ-UHFFFAOYSA-N 310.334 1.868 10 10 DDCE Cc1ccc(O)c(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 289584066 UCGQFHZWRWYFBJ-CQSZACIVSA-N 312.435 1.556 10 10 DDCE CO[C@@H]1CN(c2ccc(CN)c(Br)c2F)C[C@H]1O 395978146 CNJNMWBWUGPPFC-NXEZZACHSA-N 319.174 1.243 10 10 DDCE CN1CCN(c2ccc(CN(C)CC3CN(C)C3)cc2)CC1 827124995 GOKIQNGWCOZPFJ-UHFFFAOYSA-N 302.466 1.432 10 10 DDCE Nc1ccc(CC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)cc1 832002733 UMKNMWXYIDTMHG-INIZCTEOSA-N 324.384 1.518 10 10 DDCE COC[C@@H](CO)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C 834819690 PBSPIANVGOKDMN-MRXNPFEDSA-N 316.401 1.760 10 10 DDCE C[C@H](N)[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 842001641 ANCFTPSONCXAKP-KBPBESRZSA-N 320.437 1.400 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H](C)CCN3)C2)cc1 852899868 FLMXHGVWWMFCPA-KEYYUXOJSA-N 317.433 1.778 10 10 DDCE CO[C@@H](CNC(=O)N(C)Cc1ccccc1O)[C@H]1CCOC1 854276052 IYKYFEJQKLRXEL-ZFWWWQNUSA-N 308.378 1.585 10 10 DDCE CN(C)CCC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCO1 853625790 YTECUIMDLTYQRU-CQSZACIVSA-N 322.405 1.664 10 10 DDCE COC[C@@H](NC(=O)NCc1ccccc1O)C1CCOCC1 852469144 ZEXLJBXZOKYSMC-CQSZACIVSA-N 308.378 1.633 10 10 DDCE COC[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 761906269 BBHDEHYDZXIXSB-VIFPVBQESA-N 307.306 1.398 10 10 DDCE CC[S@](=O)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773299882 WAYVZPYULXBZSJ-QKVFXAPYSA-N 311.451 1.881 10 10 DDCE Cc1cc(N(C)C)ccc1CN1CCC(O)(COCCO)CC1 895830251 SWDQOEIFKVBRRQ-UHFFFAOYSA-N 322.449 1.397 10 10 DDCE CCN(C[C@H](O)C(F)(F)F)C(=O)Cc1ccc(O)c(O)c1 1138535529 KXXBSSALUYGUKR-NSHDSACASA-N 307.268 1.412 10 10 DDCE CC(C)(C)OC(=O)NCC1(O)CN(Cc2ccc(N)cc2)C1 1959549943 SYPKHFOAJVCDKV-UHFFFAOYSA-N 307.394 1.340 10 10 DDCE O=C(NCc1ccc(-c2nncnn2)cc1)c1cc(O)cs1 1164459825 LCCRGHXULATFNM-UHFFFAOYSA-N 313.342 1.631 10 10 DDCE O=C(CNCc1c(O)cccc1Br)NC1CCC1 1963576873 XSSIBUQJMVKMPA-UHFFFAOYSA-N 313.195 1.913 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cc2n(n1)CCCC2=O 1178917157 KSTNHHRUJGXRHA-UHFFFAOYSA-N 301.302 1.201 10 10 DDCE O=C(O)c1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)c[nH]1 70330070 FYHIAYMEVNOSQL-UHFFFAOYSA-N 300.267 1.358 10 10 DDCE CN(CCF)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 1265981556 WLNNRORZYSQJRT-UHFFFAOYSA-N 309.345 1.870 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C(C)(C)C(N)=O 1463814734 RUOOAYZZUCXBEV-UHFFFAOYSA-N 303.406 1.757 10 10 DDCE Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)c1ccccc1O 1471195682 LARXVHVGPHVLGS-SECBINFHSA-N 304.306 1.683 10 10 DDCE CC1(C)CCN(C(=O)Cc2ccc(O)c(O)c2)CC[S@@]1=O 1556622187 NAEIPBOYRBRXEB-NRFANRHFSA-N 311.403 1.400 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)Cc2cnc[nH]2)cc1C 1567057263 GZNDFTLDLFVMRG-CYBMUJFWSA-N 316.405 1.564 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCOC[C@H]2CCOC2)cc1 1585066715 SWUKUDYDIRSWIM-NSHDSACASA-N 320.349 1.632 10 10 DDCE Cn1cnc2scc(C(=O)Oc3ccc(N)cc3)c2c1=O 1860404711 BXWKNEWXNVKFPH-UHFFFAOYSA-N 301.327 1.796 10 10 DDCE [N-]=[N+]=N[C@@H]1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 1912191576 TUENWUCWDDAHTF-GHMZBOCLSA-N 315.333 1.028 10 10 DDCE C[C@@H](O)c1ccc(N(C)[C@@H]2CCNC2=O)c(Br)c1 1916797909 DCQLFPKSNSRHKR-PRHODGIISA-N 313.195 1.827 10 10 DDCE CC(=O)C(=O)[C@]1(O)CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1919164670 XOXLJNVSCCEKNQ-OZVIIMIRSA-N 311.378 1.543 10 10 DDCE CC(C)(C)OC(=O)N(CCO)CC(=O)NCc1ccccc1O 1984921950 GIWTVVYYXSWWKI-UHFFFAOYSA-N 324.377 1.238 10 10 DDCE CCN1CC[C@H](N(CC)C(=O)c2cnn3c(O)cc(C)nc23)C1 2062344021 SPYBILBBPARCDA-LBPRGKRZSA-N 317.393 1.300 10 10 DDCE CCOC[C@@H]1CCCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2063360559 XGJGEXVBSPNVHB-GFCCVEGCSA-N 318.377 1.632 10 10 DDCE NCc1ccc(N2CC[C@@]3(CNC(=O)C3)C2)cc1Br 2107033266 VWQKOKCFBKDOPA-CQSZACIVSA-N 324.222 1.624 10 10 DDCE CC1([C@@H]2CCCN(C(=O)c3cc(O)nc(O)c3)C2)OCCO1 2089602059 XNCOBVPAHBSKJD-LLVKDONJSA-N 308.334 1.108 10 10 DDCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 2234177032 PITOJQBWGUXBNG-KXUCPTDWSA-N 318.424 1.254 10 10 DDCE Nc1ccc(CCNC(=O)c2cnc(Br)cn2)cc1 2228994793 DBTVFIBVWGMVAS-UHFFFAOYSA-N 321.178 1.794 10 10 DDCE Cc1c(C=C2C(=O)NC(=S)N(C)C2=O)c2ccccc2n1C 2294199285 NHWNEOQUDOVVCB-UHFFFAOYSA-N 313.382 1.743 10 10 DDCE CC1(C)CN(CCNC(=O)C=Cc2ccc(O)c(O)c2)CCO1 2307996510 LBPYHFCXXADMSC-UHFFFAOYSA-N 320.389 1.338 10 10 DDCE Cc1ccc(CN2C[C@H](F)[C@H](O)C2)c(O)c1Br 2307565444 NOUQSDLGATYXPI-VHSXEESVSA-N 304.159 1.978 10 10 DDCE Cc1ccc(CN2C[C@@H](O)C[C@H]2CO)c(O)c1Br 2327622801 AMOFXWYMUHJXEV-QWRGUYRKSA-N 316.195 1.391 10 10 DDCE Cc1ccc(CN2C[C@H](O)C[C@@H](O)C2)c(O)c1Br 2327632086 YTBZPIQLIOHSPI-GHMZBOCLSA-N 316.195 1.391 10 10 DDCE O=C1NCCN1C1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 170913393 AKMRONFSTMYPFU-UHFFFAOYSA-N 320.349 1.290 10 10 DDCE COC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1ccc(O)cc1 1148220151 SZHGABFVJPKAPN-CYBMUJFWSA-N 317.297 1.448 10 10 DDCE CCCN(CCO)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 77209816 CYYOVTBUPPUKIS-FNORWQNLSA-N 308.334 1.990 10 10 DDCE CN1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC1=O 191662648 IKBJUDWXBBUTIW-UHFFFAOYSA-N 313.741 1.618 10 10 DDCE O=S1(=O)CC[C@@H](Oc2ccc(N3CCCNCC3)cc2)C1 43461588 USQIZOOUUCYUPZ-OAHLLOKOSA-N 310.419 1.052 10 10 DDCE CN(C)c1ccc(CNC(=O)N(CCO)CC(F)F)cc1 194993712 ONNOAIPKVLWNLN-UHFFFAOYSA-N 301.337 1.522 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NC1CC(CC(N)=O)C1 925072837 PORZOOKQRREWQY-UHFFFAOYSA-N 319.405 1.968 10 10 DDCE CN1CCOC[C@@H]1CNC(=O)NCc1cc(Cl)ccc1O 858836705 AYCMMJGLQOFIDD-LBPRGKRZSA-N 313.785 1.175 10 10 DDCE CO[C@H]1COCC[C@@H]1CNC(=O)NCc1c(O)cccc1F 922697398 UDUTZWUWUWAMIN-YGRLFVJLSA-N 312.341 1.382 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccnn1CCc1ccccc1 856981612 SGIUGLGROXKYJV-UHFFFAOYSA-N 300.314 1.441 10 10 DDCE Oc1cc2c(cc1CN1CC[C@H](Cn3ccnn3)C1)OCO2 853521805 FZCDFHBKMRXGLA-NSHDSACASA-N 302.334 1.235 10 10 DDCE C[C@H](NC(=O)NCCC1(O)CCOCC1)c1ccccc1O 868600272 PHODBHCDEAEUIJ-LBPRGKRZSA-N 308.378 1.684 10 10 DDCE CO[C@H]1CCn2cc(C(=O)NCc3cc(C)ccc3O)nc2C1 869409909 GCKWSRZWOUSEKG-ZDUSSCGKSA-N 315.373 1.788 10 10 DDCE C[C@H]1C[C@H](S(=O)(=O)NCc2ccc(O)cc2O)CCO1 867416638 DTRUGHKIDGLYQI-JOYOIKCWSA-N 301.364 1.085 10 10 DDCE Cc1cc(N(C)C)ccc1CNC[C@]12COCCN1C(=O)OC2 872260582 BZUHHQLQAPZWOV-QGZVFWFLSA-N 319.405 1.372 10 10 DDCE CC[C@@H](NCCCN1CCCS1(=O)=O)c1ccccc1O 775518055 CNLMXMSAIQBFHE-CQSZACIVSA-N 312.435 1.859 10 10 DDCE CCN(CC(N)=O)Cc1cc(C)cc(Br)c1O 789595184 FKWGDLNRFHEEKH-UHFFFAOYSA-N 301.184 1.770 10 10 DDCE COC(=O)[C@H](CC1CCOCC1)NCc1cc(F)ccc1O 895590216 KOLIECWVHASKMC-AWEZNQCLSA-N 311.353 1.979 10 10 DDCE COc1cc(Cl)cc(CNCCN(C)S(C)(=O)=O)c1O 692415980 GXXDBIURTVUWIP-UHFFFAOYSA-N 322.814 1.035 10 10 DDCE Cc1cc(C(=O)NCCOCCCO)c(C)n1-c1ccccn1 1322473610 MQPXTOCQPXDNKM-UHFFFAOYSA-N 317.389 1.618 10 10 DDCE CCOCc1cc(CN[C@@H](C(=O)O)[C@@H]2CCCO2)ccc1OC 1329686354 SWLHCWVBIUUIDD-JKSUJKDBSA-N 323.389 1.954 10 10 DDCE CNCc1ccc(N2CCSC[C@H]2S(C)(=O)=O)cc1 90923182 MQKNTGZLWWZOMD-CYBMUJFWSA-N 300.449 1.330 10 10 DDCE COC(=O)C1CC2(C1)CN(Cc1ccccc1O)C[C@H]2C(=O)O 1339207467 QOXBDVIPOVJSSJ-JZLYGMAVSA-N 319.357 1.478 10 10 DDCE COc1ccc(O)c(CN2C[C@H](O)CC3(CCOCC3)C2)c1 1331579756 KIVPYWAPYVNITE-CQSZACIVSA-N 307.390 1.764 10 10 DDCE O=C(COCc1ccnc(O)c1)NCCc1ccc(O)c(O)c1 1351500988 XLENZYVIEMSBFC-UHFFFAOYSA-N 318.329 1.074 10 10 DDCE CNCc1ccc(N(C)Cc2cnn(C)n2)c(Br)c1 2115764271 GWMJITCMEUFVHQ-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE CC(C)(C)OC(=O)N1CC(C(=O)NCc2cccc(O)c2O)C1 1521851258 INEKNLGYURYMAN-UHFFFAOYSA-N 322.361 1.581 10 10 DDCE Cn1ncc(C(F)(F)F)c1C(=O)NCc1ccc(O)cc1O 1630307205 URYDYCJLBBAKDB-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2cnn(C)n2)cc1C 1567062920 SGIDCBIRSJYLID-GFCCVEGCSA-N 317.393 1.040 10 10 DDCE CC(F)(F)CN1CCN(C(=O)c2cccc(O)c2O)CC1 1647925282 BVLOZDQCNAEPNS-UHFFFAOYSA-N 300.305 1.511 10 10 DDCE CS(=O)(=O)CCCC(=O)NCc1c(O)ccc2ccccc12 1645441278 YCPGUDHRJFENPP-UHFFFAOYSA-N 321.398 1.986 10 10 DDCE COc1c(NC(=O)Cc2ccc(O)c(O)c2)cccc1C(N)=O 1597524240 MSWQAOSYFODBGW-UHFFFAOYSA-N 316.313 1.387 10 10 DDCE C[C@@H](NCCNS(=O)(=O)C1CC1)c1ccc(F)cc1O 1964502078 AHOYOINVLPQMRO-SECBINFHSA-N 302.371 1.264 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@]2(CCOC2)C1 1772918598 RRUGAXODAOSBEI-OUMXJLHTSA-N 305.330 1.129 10 10 DDCE CN1C(=O)COc2cc(/N=N/N3CCC(C(=O)O)CC3)ccc21 1860487528 BSQFGDNBUUCDBN-WUKNDPDISA-N 318.333 1.837 10 10 DDCE Nc1ccc(-n2nnc(C(=O)Nc3cc(Cl)ccn3)n2)cc1 1857878726 KELWRMOWMABVJO-UHFFFAOYSA-N 315.724 1.545 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NCc1ccc(O)c(O)c1O 232495258 NHLUPMPZCPFAJP-VHSXEESVSA-N 310.350 1.559 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980371963 XXGIQRYCMAAFRK-GCQYFTOKSA-N 322.405 1.507 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCN=[N+]=[N-] 1985094748 TWQTUJNKBJZBCO-JTQLQIEISA-N 323.357 1.272 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)c(Cl)c1 2151275258 OEADVXOWDMUBAO-GLXFQSAKSA-N 314.838 1.983 10 10 DDCE Cc1cccc(CNC(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1O 1994452374 YEZFHTQDILHHJJ-GFCCVEGCSA-N 324.377 1.202 10 10 DDCE NC[C@H]1C[C@@H](Nc2c(N)cccc2Br)CCO1 2016897536 CVJSCEXHTHHREP-DTWKUNHWSA-N 300.200 1.950 10 10 DDCE NCc1cc(F)c(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)cc1Cl 2177382266 YGKHBKWCFYASKR-OQPBUACISA-N 318.801 1.561 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3C[C@H](C)N(C4CC4)C3)c2n1 2061989374 MKKNFYYERNLNBE-WDEREUQCSA-N 315.377 1.098 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)c2n1 2062994013 AYIVTTFYPTYLQH-ZWKOPEQDSA-N 316.361 1.287 10 10 DDCE CC(C)N(CCS(C)(=O)=O)c1ccc(CN)c(F)c1F 2170162504 LOKUALMQMNTBGH-UHFFFAOYSA-N 306.378 1.683 10 10 DDCE CCCS(=O)(=O)C[C@H](C)NCc1ccc(OC)cc1O 2170591702 PJVRDWLMOSMDPL-NSHDSACASA-N 301.408 1.704 10 10 DDCE CN(C(=O)CN1CC(SC(F)F)C1)c1ccc(N)cc1 2196715007 QJZQQMCEOFCBTO-UHFFFAOYSA-N 301.362 1.872 10 10 DDCE COc1ccc(Br)c(CN2CC[C@@H]2C(=O)O)c1O 2220447259 FDSXZOCLODHJOV-SECBINFHSA-N 316.151 1.822 10 10 DDCE Oc1cccc(Br)c1CN[C@H]1COC2(COC2)C1 2258400263 GZPRJYGCYOHYSM-SECBINFHSA-N 314.179 1.802 10 10 DDCE CSc1ncc(CNC(=O)[C@H](C(=N)NO)C2CC2)s1 2269098847 NJNNKJXPKHGUEI-QMMMGPOBSA-N 300.409 1.463 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CCNCC2(F)F)s1 2269094788 UTNNRCJQQHYRRY-MRVPVSSYSA-N 307.391 1.726 10 10 DDCE CN[C@H](C)C(=O)NCc1ccc(C)c(Br)c1O 2307568130 ATNJPMQNJICDMU-MRVPVSSYSA-N 301.184 1.687 10 10 DDCE COCC[C@@H](CO)NCc1ccc(C)c(Br)c1O 2327623850 LPZZYXCQBKUZGK-NSHDSACASA-N 318.211 1.950 10 10 DDCE CC[C@H](C)N1C(=O)/C(=C/Nc2cc(C)on2)C(=O)N=C1S 102716166 JNEXYUDPIAXNRX-QCCBYXMRSA-N 308.363 1.732 10 10 DDCE CCN(CCN=[N+]=[N-])S(=O)(=O)[C@H](C)C(=O)OC(C)(C)C 2362981396 MNIGPAIAQNMJPT-SECBINFHSA-N 306.388 1.679 10 10 DDCE COC[C@@H](O)CN(C)c1cc(OC)c(OC)cc1[N+](=O)[O-] 213631114 JHNFBNZUCYHCPK-VIFPVBQESA-N 300.311 1.056 10 10 DDCE Cn1nccc1S(=O)(=O)N(Cc1ccc(N)cc1)C1CC1 124094064 HSPYBBQFYBLMRK-UHFFFAOYSA-N 306.391 1.356 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CN(C2CC2)CCO1 180783889 JCYLIKDCBBWCEE-HSVJCBRXSA-N 318.373 1.090 10 10 DDCE O=C(C[C@H]1CCNC1)NCc1ccc(N2CCOCC2)cc1 130455540 QJRARINBJZKOKN-OAHLLOKOSA-N 303.406 1.139 10 10 DDCE CCS(=O)(=O)N1CC(CN[C@@H](C)c2cc(F)ccc2O)C1 190677758 HTVOYYPXEXTNCV-JTQLQIEISA-N 316.398 1.463 10 10 DDCE CNCc1ccc(N(C)CC(=O)N(C)C)c(Br)c1 234399434 HWXKICVTZNJQKI-UHFFFAOYSA-N 314.227 1.693 10 10 DDCE COc1cc2c(cc1Cl)N(CCC(=O)O)CCN(C)C2=O 527431712 WZOUXTVMUINPPS-UHFFFAOYSA-N 312.753 1.715 10 10 DDCE COc1cc2c(cc1OC)N(C)C[C@H]2CCN1CCNCC1 527416112 BCMCERIGHXFEAT-CYBMUJFWSA-N 305.422 1.533 10 10 DDCE CCN(Cc1cc(Br)ccc1O)C(=O)CC(N)=O 269116108 DDYVQIZDYARNKG-UHFFFAOYSA-N 315.167 1.379 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1NC(=O)NC1=O 282546614 RWNYJFTVUDUKIM-LBPRGKRZSA-N 319.361 1.119 10 10 DDCE COC[C@H](O)[C@@H](N)c1cc(Cl)cc(Br)c1O 713839747 SBAIUORWYADWSX-IUCAKERBSA-N 310.575 1.815 10 10 DDCE C[C@@H]1C[C@@H](CO)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 398808789 QLDIEDLDUZJWNC-NXEZZACHSA-N 321.333 1.380 10 10 DDCE O=[N+]([O-])c1cc(Cl)cc(CNC2COCCOC2)c1O 813789139 JZSLPRQTDQZPBR-UHFFFAOYSA-N 302.714 1.459 10 10 DDCE C/C(=C/C(=O)NCCc1ccc(O)c(O)c1)CN1CCOCC1 901122276 NOMPPABKYAXHHZ-RAXLEYEMSA-N 320.389 1.035 10 10 DDCE CC(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 846171113 RPHIYGCDKRKBHW-MASHWEEQSA-N 304.346 1.096 10 10 DDCE CC[C@H](CCO)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 853776694 HEEWTNUTPQLMDD-ZIAGYGMSSA-N 321.421 1.734 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H](O)C[C@H]2CO)cc1Br 698227802 KOCMJHXIHCQAGB-MIMYLULJSA-N 315.211 1.401 10 10 DDCE CN1CCn2nc(NC(=O)NCCc3ccc(N)cc3)cc2C1 868206428 XLCIOYKDTIPKPS-UHFFFAOYSA-N 314.393 1.275 10 10 DDCE CCOc1ccc(O)c(CN2C[C@@H](C(=O)OC)O[C@H](C)C2)c1 862487540 RLJFCACDWQXMEI-ABAIWWIYSA-N 309.362 1.553 10 10 DDCE CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)c1cc(O)cs1 760920067 FVLOVZRXULJXKR-GFCCVEGCSA-N 320.370 1.753 10 10 DDCE CCN(OC)C(=O)CNC(=O)c1cc2cc(O)c(O)cc2s1 898089990 GDESFCRISBBKPW-UHFFFAOYSA-N 324.358 1.452 10 10 DDCE COc1cc(C)cc(CN[C@@H](CO)C[C@@H](O)C(C)(C)C)c1O 894691284 TYBLJFKJKRAYKX-UKRRQHHQSA-N 311.422 1.957 10 10 DDCE CN(Cc1ncnn1C)c1ccc(CN)c(Br)c1 707603727 LYGRUOUVMMDAKQ-UHFFFAOYSA-N 310.199 1.673 10 10 DDCE COCCCS(=O)(=O)N(Cc1ccc(N)cc1)C(C)C 71233827 TYGRODJMMSFLOA-UHFFFAOYSA-N 300.424 1.846 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCCO[C@H]2CCOC2)cc1 1466021037 XMGAIAYVFAUTRN-ZDUSSCGKSA-N 320.349 1.774 10 10 DDCE F[C@H]1C[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCN2C1 1473859670 SMJBYSHYLPTRTM-WMZOPIPTSA-N 319.424 1.751 10 10 DDCE O=C(/C=C/COC1CCOCC1)NCc1c(O)cccc1O 1639292600 JMHTWVYHZCSNDA-GORDUTHDSA-N 307.346 1.466 10 10 DDCE C[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1O 1639292883 UQUYHFMNSIGUTD-SNVBAGLBSA-N 324.377 1.875 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)C1=C[S@@](=O)CCC1 1630533047 SYYOBPLGFURGGS-QFIPXVFZSA-N 316.382 1.983 10 10 DDCE CCN(CCCNC(C)=O)C(=O)c1ccc(N=NC(N)=O)cc1 1492888979 BPHCVNYQSXUBJK-UHFFFAOYSA-N 319.365 1.837 10 10 DDCE Cc1cc(CC(=O)NC2=NCC(=O)N2C)c(C)n1-c1ccccc1 1634190995 VHJYEZFARSRMFP-UHFFFAOYSA-N 324.384 1.581 10 10 DDCE CN([C@@H]1CCN(c2ccc(CN)cc2Cl)C1)S(C)(=O)=O 2146920475 UJPUQGRLTSIUQM-LLVKDONJSA-N 317.842 1.269 10 10 DDCE Oc1ccc(Br)cc1CNC[C@@H]1COC[C@H]1O 1948500755 GIVAVAVMVQKZQV-BXKDBHETSA-N 302.168 1.252 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1CCN1 1952355168 QFCUDTWPVALYJM-RYUDHWBXSA-N 308.378 1.896 10 10 DDCE O=C1Nc2cc(N3CC[C@H](O)[C@H](F)C3)c(Cl)cc2[C@@H]1O 2144565678 BTNQRJHIMBQEGZ-ZHAHWJHGSA-N 300.717 1.235 10 10 DDCE Oc1cccc(Br)c1CN[C@@H]1C[C@H](O)C[C@@H]1O 2000834594 VNTXDYAHVMGBNA-KOLSJAJHSA-N 302.168 1.129 10 10 DDCE CCOC[C@H](O)CNCc1c(O)cccc1Br 706807805 GUNVYRKNAPQWQX-SECBINFHSA-N 304.184 1.642 10 10 DDCE C[C@]1(CO)C[C@@H](O)CN1c1ccc(CO)c(Br)c1 698152601 QVHWRXHXSPDHSJ-DGCLKSJQSA-N 316.195 1.263 10 10 DDCE NCc1cc(F)c(N2CCCN(CCO)CC2)cc1Cl 2177376064 AGZQQIVDGIZPGF-UHFFFAOYSA-N 301.793 1.442 10 10 DDCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1Br 2043183040 XBNRLGMKWDCSGI-INTQDDNPSA-N 316.195 1.434 10 10 DDCE C[C@H](O)c1cc(F)c(N(C)CCCS(C)(=O)=O)c(F)c1 2194520439 UZCQWYRGVDCJQV-VIFPVBQESA-N 307.362 1.889 10 10 DDCE C[C@H](c1ccc(Cl)cc1O)N1CCN(S(C)(=O)=O)CC1 2203339248 WBACKTFBVRQWKI-SNVBAGLBSA-N 318.826 1.684 10 10 DDCE COCCN(C[C@H](C)O)c1ccc(CO)cc1Br 2259669545 PLAPDHIENRCLGF-JTQLQIEISA-N 318.211 1.775 10 10 DDCE CSc1ncc(CNC[C@H]2CCC[C@H](C(=O)O)O2)s1 2269123535 JRVMPVOYUQCIOH-PSASIEDQSA-N 302.421 1.977 10 10 DDCE O=C1O[C@H](c2cccnc2)[C@@H](C(=O)O)c2cc(O)c(O)cc21 33414033 CNDKTUNYLUWJDO-QWHCGFSZSA-N 301.254 1.573 10 10 DDCE OCc1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1Br 2308657869 GLIAYOLNLKJDKW-KGYLQXTDSA-N 314.179 1.137 10 10 DDCE CSc1ncc(CNC(=O)[C@@]2(O)C[C@@H]2C(F)(F)F)s1 2344036629 ZCIMTPSRLRCEQS-IMTBSYHQSA-N 312.338 1.795 10 10 DDCE Nc1c2ccccc2nc2c(C(=O)NCCNCCO)cccc12 6117626 LGDNJXAZBBKQQZ-UHFFFAOYSA-N 324.384 1.282 10 10 DDCE Nc1ccc(OS(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)cc1 73736162 SQAXLJYXEQSAQQ-UHFFFAOYSA-N 317.326 1.273 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@@H]([S@](=O)CCc2ccc(N)cc2)C1 2367856848 VYHLVDJJVXPKCK-PJIJBLCYSA-N 315.460 1.526 10 10 DDCE COCCNCc1cc(F)c(N(C)CC[C@H](C)O)c(F)c1 135580661 HATBZRLVZMFJSL-NSHDSACASA-N 302.365 1.908 10 10 DDCE COc1cc(Cl)c(N(C)[C@@]2(CN)CCOC2)c(OC)c1 2368114013 RGXMUKFUPYSDIF-CQSZACIVSA-N 300.786 1.911 10 10 DDCE Cn1c(I)c(O)c2cc(O)c(O)cc21 89203725 MHUCMWKSJQEHPJ-UHFFFAOYSA-N 305.071 1.900 10 10 DDCE CC[C@@H](NC[C@](C)(O)CO)c1cc(Br)ccc1O 90286112 XLSGNODCVYAIBA-YPMHNXCESA-N 318.211 1.939 10 10 DDCE CCOCCN1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1C 193075454 HJDSUNYGTIQFKP-LBPRGKRZSA-N 308.378 1.281 10 10 DDCE N[C@@H](c1c(F)ccc(Br)c1O)C(F)(F)CO 95716693 VAZODYWGJCSKPT-QMMMGPOBSA-N 300.074 1.921 10 10 DDCE CC(C)CNC(=O)N1CCN(c2ccc3c(c2)OCO3)CC1 243104571 JCXMUIKMBAAIMR-UHFFFAOYSA-N 305.378 1.903 10 10 DDCE c1nc2c([nH]1)C[C@H](NCc1ccc(N3CCOCC3)cc1)CC2 368092018 ZFQHVBNWCZCVDQ-OAHLLOKOSA-N 312.417 1.893 10 10 DDCE COc1cc(O)c(CN2CCO[C@]3(CCOC3)C2)cc1OC 274505073 UKUOOUWRSLCDAM-MRXNPFEDSA-N 309.362 1.401 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(C)ccc1NC(=O)N(C)C 808517436 BIHTXSVFVMKYDC-UHFFFAOYSA-N 306.318 1.403 10 10 DDCE CC[C@@H](CNS(C)(=O)=O)NCc1cc(Cl)c(F)cc1O 295043019 MTGWXUHTUVTQSY-VIFPVBQESA-N 324.805 1.602 10 10 DDCE CCN(C)c1ccc([C@@H](C)N[C@@H]2CCC(=O)N(C)C2=O)cc1 818361528 KSRDHYMQGANAKO-IUODEOHRSA-N 303.406 1.941 10 10 DDCE COC(=O)[C@@H]1CC[C@H](C(=O)NCc2cc(OC)ccc2O)C1 839684530 OVRUHTSMZJERDZ-WDEREUQCSA-N 307.346 1.606 10 10 DDCE Nc1ccc(CCNS(=O)(=O)c2cnn(CC3CC3)c2)cc1 842823233 QGFPJPZGYVXVHZ-UHFFFAOYSA-N 320.418 1.396 10 10 DDCE CCOc1ccc(O)c(CN2CN(CCN(C)C)C(=O)[C@@H]2C)c1 843428508 JYURTTWZZLUHPJ-ZDUSSCGKSA-N 321.421 1.343 10 10 DDCE CCOCc1cc(CNCC(=O)N(C)OCC)ccc1OC 846062539 GSKAECVGKSMBIP-UHFFFAOYSA-N 310.394 1.731 10 10 DDCE COC(=O)[C@H]1C[C@H](O)CN(Cc2cc(Cl)cc(C)c2O)C1 843435607 WJTUTWZHMMISTL-AAEUAGOBSA-N 313.781 1.710 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)c1O 852733001 KNXYCCREULPVLW-BDJLRTHQSA-N 323.320 1.267 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCC[C@@H](C)OC)C2)cc1 852065679 IMMLLUUJURDJBN-ZIAGYGMSSA-N 321.421 1.998 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCN[C@@H](C)C3)C2)cc1 852844729 ZDYGGQCTXCHXJQ-KKUMJFAQSA-N 317.433 1.778 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NC2CCC(C(N)=O)CC2)c1 756706586 ULUBQZPIYFJVHU-XSRFYTQQSA-N 320.389 1.874 10 10 DDCE CC[C@@H](O)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854297739 VYQFKHGEIYRPLM-GXTWGEPZSA-N 307.394 1.344 10 10 DDCE CN1CCC[C@H](C(=O)NCc2ccc3cccnc3c2O)C1=O 862026017 FCWWFLQMCWJKLF-CYBMUJFWSA-N 313.357 1.425 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2[C@H]3C[C@@H]4CO[C@@H]2[C@H]4C3)cc1 866073156 XSDDUTKTHNAARG-GMBUGEKQSA-N 315.417 1.975 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)cc1 1119712907 HILSRPUYABAPQO-VNQPRFMTSA-N 315.417 1.674 10 10 DDCE COC(=O)[C@](C)(O)CN1CCCN(c2ccc(OC)cc2)CC1 779221433 GDUNRMPICMOCSD-QGZVFWFLSA-N 322.405 1.131 10 10 DDCE C[C@H](NC(=O)c1cnc(O)n(C)c1=O)c1ccc(N(C)C)cc1 775407292 RKTDFSUFXHYFHI-JTQLQIEISA-N 316.361 1.043 10 10 DDCE CCOc1cc(O)ccc1NS(=O)(=O)N1CCC[C@H]1C 790411338 KGLPWQYSWNJSAT-SNVBAGLBSA-N 300.380 1.932 10 10 DDCE NC(=O)[C@H](C1CC1)N(CC1CC1)C(=O)c1cccc(O)c1O 1171944750 NKIYHNTYTPITIJ-ZDUSSCGKSA-N 304.346 1.214 10 10 DDCE C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)C(=O)N(C)Cc1ccccc1O 1331856153 UUNJFAWAGSVPCG-UNQGMJICSA-N 316.401 1.759 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCCOCC(F)(F)F 1464248208 HPYPRLZNDXNUPM-UHFFFAOYSA-N 307.268 1.726 10 10 DDCE CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCCCNC1=O 1626334626 WYSSPSPXOAPBLH-LBPRGKRZSA-N 317.349 1.590 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cnn(Cc2cccnc2)c1 1627646086 HDMMHAYSJUKRLB-UHFFFAOYSA-N 324.340 1.919 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cc([N+](=O)[O-])ccc1O 1558534580 VEAUPFOUZLTYFZ-UHFFFAOYSA-N 304.258 1.642 10 10 DDCE COc1ccccc1NCC(=O)NCc1cc(O)ccc1O 1637126187 NMFNHYKOYDJEFO-UHFFFAOYSA-N 302.330 1.835 10 10 DDCE Cn1ccnc1[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)CCO1 1556988417 KTKVHSHNGGPUHI-ZWNOBZJWSA-N 317.345 1.481 10 10 DDCE Cc1nnc(-c2ccc(NC(=O)C3=S=C(C=O)C=C3)cc2)o1 1565816823 WFYLXEHLTJGJDQ-UHFFFAOYSA-N 313.338 1.830 10 10 DDCE CC(=O)N(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1738344816 UAWVOHQLDMSUIJ-UHFFFAOYSA-N 305.338 1.399 10 10 DDCE C/C=C(/C)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 1686524511 IMPGYZGPHGOHFP-DLYLFSKTSA-N 317.349 1.661 10 10 DDCE CCCNC(=O)[C@@H]1COCCN1c1ccc(CN)c(Cl)c1 159311463 XJSRMMRIJOFBAZ-AWEZNQCLSA-N 311.813 1.530 10 10 DDCE NCc1ccc(N2CCOC[C@H]2C(=O)NC2CC2)c(Cl)c1 159322008 CVMMEYIILDGBBM-AWEZNQCLSA-N 309.797 1.283 10 10 DDCE CCOC(=O)CCN(C)/N=N/c1ccc2c(c1)OCC(=O)N2C 1860487926 VCVSIHGGFLOESA-WUKNDPDISA-N 320.349 1.926 10 10 DDCE COCCS(=O)(=O)CCN1CCCC[C@H](CN=[N+]=[N-])C1 1912202592 JSMQTSVRPGXWFS-GFCCVEGCSA-N 304.416 1.460 10 10 DDCE CC(C)(C)OC(=O)N1CCN(NCc2ccc(N)cc2)CC1 1929713693 FIQZEVQREUDCDE-UHFFFAOYSA-N 306.410 1.826 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1ccc(N)cc1 1993287714 HAOSFIOVXIEARP-GXFFZTMASA-N 323.393 1.159 10 10 DDCE C[S@@](=O)CC1CN(c2ccc(CN)cc2Br)C1 2001793290 KORJMIYRIKVEMB-QGZVFWFLSA-N 317.252 1.723 10 10 DDCE O=C(CNCc1cc(Cl)cc(Cl)c1O)N1CCOCC1 312908892 UGXADQLLQKTYQR-UHFFFAOYSA-N 319.188 1.647 10 10 DDCE CCC(=O)NCCNCc1cccc(Br)c1O 393200906 HBVQICCPERZJBE-UHFFFAOYSA-N 301.184 1.771 10 10 DDCE CN(c1ccc(CO)c(Br)c1)[C@H]1CCCNC1=O 2051436194 URQHRBZBTYZNDY-LBPRGKRZSA-N 313.195 1.656 10 10 DDCE C[C@@H](CS(C)(=O)=O)N(C)c1c(F)cc([C@@H](C)N)cc1F 2194695202 RVTZEOHHHDJSCG-DTWKUNHWSA-N 306.378 1.854 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNc1ccc(N)cc1 2210495461 NITSPPMZEPVKED-HZSPNIEDSA-N 323.393 1.022 10 10 DDCE CS(=O)(=O)C[C@H]1CCCN1c1ccc(CN)c(Cl)c1 2094928529 XFVHGGSVRKCYNU-GFCCVEGCSA-N 302.827 1.812 10 10 DDCE NCc1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 2094929602 FHFINHCNABCZGB-MFKMUULPSA-N 300.811 1.422 10 10 DDCE COc1cc(OC)c(N2CCC(O)(CO)CC2)cc1Cl 2285873309 RRERMROEFFAJGQ-UHFFFAOYSA-N 301.770 1.681 10 10 DDCE CN(C)S(=O)(=O)[C@@H]1CCN(c2ccc(CO)c(Cl)c2)C1 2279282723 FQNZHIXPCUUQHY-GFCCVEGCSA-N 318.826 1.302 10 10 DDCE CC[C@H](C)NC=C1C(=O)NC(=O)N(c2ccccc2C)C1=O 2296740172 IYYRHAGLDHYTMM-NSHDSACASA-N 301.346 1.850 10 10 DDCE CSc1ncc(CN[C@@](C)(C(=O)O)[C@H]2CCOC2)s1 2350659327 SMYZOPFBNPJVFJ-QPUJVOFHSA-N 302.421 1.834 10 10 DDCE C[C@H](NCCNS(C)(=O)=O)c1ccc2ccccc2c1O 22153619 GOXCNYABLBDGMI-NSHDSACASA-N 308.403 1.745 10 10 DDCE Nc1ccc(CN(C2CC2)S(=O)(=O)N2CCCCC2)cc1 35365950 RYCWBNZSDQFKGP-UHFFFAOYSA-N 309.435 1.964 10 10 DDCE C[C@@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)c1cccc(Cl)c1 72680437 FQSXDGXVMSNBIS-SECBINFHSA-N 321.764 1.925 10 10 DDCE COc1ccc(S(=O)(=O)NCCCN=[N+]=[N-])cc1[N+](=O)[O-] 42013276 CYYBUMLMIDCJSD-UHFFFAOYSA-N 315.311 1.582 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(CC(C)C)c1C(F)F 808530601 BEFYZOVQLHQFDD-UHFFFAOYSA-N 302.277 1.792 10 10 DDCE COC[C@H](O)[C@@H](N)c1c(Cl)ccc(Br)c1O 713768135 QCEKOZWEMKHOAB-IONNQARKSA-N 310.575 1.815 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cc3n[nH]c(C)n3)C2)cc1 855225209 PBXZQXOUEZRVJW-LBPRGKRZSA-N 315.377 1.059 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](OC)[C@@H]2CCOC2)c1 850484455 JEONIZXDQLZHHE-NORZTCDRSA-N 323.389 1.881 10 10 DDCE COCCOCCC(=O)NCc1ccc2cccnc2c1O 862028047 NVDXBCCEHAUGSW-UHFFFAOYSA-N 304.346 1.610 10 10 DDCE C[C@H](NC(=S)NCCN1CCOCC1)c1ccccc1O 865269639 UWDYYFZELMNNOY-LBPRGKRZSA-N 309.435 1.250 10 10 DDCE O=C(C[C@H]1CCCS(=O)(=O)C1)N1Cc2cccc(O)c2C1 1118995061 BXAJEFNFWXWLRM-LLVKDONJSA-N 309.387 1.449 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](O)Cc1cnn(C)c1 786989040 ONDXHHRSLXWYAX-INIZCTEOSA-N 316.405 1.014 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2coc(CS(C)(=O)=O)n2)c1 1147962664 YMQNRFNZFBHIMF-UHFFFAOYSA-N 324.358 1.163 10 10 DDCE CS(=O)(=O)N[C@@H]1CCCN(c2ccc(CN)c(Cl)c2)C1 702984728 NAHCSAVFPIEADT-LLVKDONJSA-N 317.842 1.317 10 10 DDCE C[C@@H](c1ccc(F)cc1O)N1CC[C@H](NS(C)(=O)=O)C1 703137156 FKGOOTYRQOVPHF-ONGXEEELSA-N 302.371 1.216 10 10 DDCE C[C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@@H]1F 1325834988 MBJZTHCAIODWAR-AAEUAGOBSA-N 308.353 1.557 10 10 DDCE O=C(O)C[C@H](NCc1cc([N+](=O)[O-])ccc1O)C1CCOCC1 1327678312 YWFNJNFBWAWKMR-ZDUSSCGKSA-N 324.333 1.660 10 10 DDCE O=C(C(=O)N1CC[C@]2(C1)CC2(F)F)N1Cc2cccc(O)c2C1 1330501811 HIPFEGYIIQSWCC-OAHLLOKOSA-N 322.311 1.492 10 10 DDCE O=C1NCC[C@@]1(C(=O)NCc1cccc(O)c1O)C1CCCC1 1349077983 GVRVPIIMCMUOMO-QGZVFWFLSA-N 318.373 1.411 10 10 DDCE C[C@H](N)c1ccc(N2CC3(CNC(=O)C3)C2)cc1Br 2119574584 KUAYEZZTPHFKBC-VIFPVBQESA-N 324.222 1.795 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1cc(=O)c2ccccc2[nH]1 1471366177 NOQVAHLONGOTAJ-UHFFFAOYSA-N 324.336 1.798 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](CO)CC1CCCC1 1626330854 TXEOCBZOLGXAOV-AWEZNQCLSA-N 307.390 1.945 10 10 DDCE O=C(N[C@H]1CCCc2c1cnn2CCO)c1cccc(O)c1O 1556083196 SMFGRDLKFZPPHC-LBPRGKRZSA-N 317.345 1.094 10 10 DDCE COc1ccc(CNCC(C)(C)CN(C)C(=O)C(N)=O)cc1C 1725145428 MBDHCPLAJQBSFG-UHFFFAOYSA-N 321.421 1.063 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCO[C@@]3(CCOC3)C2)cc1 1567871115 SNICUXAFIMPZQC-HNNXBMFYSA-N 318.333 1.481 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@@H]2C[C@H](C)CO2)cc1C 1493634551 GOOMUGVIJFZQRI-GUYCJALGSA-N 320.433 1.977 10 10 DDCE COc1c[nH]c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1=O 1638347385 HBUNJCBRMFLEKM-VIFPVBQESA-N 318.329 1.156 10 10 DDCE CC[C@H](N)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C 1865949979 WORJKKALUVHSTI-LSDHHAIUSA-N 315.421 1.429 10 10 DDCE CS(=O)(=O)N1CCC(CN2CCC[C@H](N=[N+]=[N-])C2)CC1 1912176793 DYOMOAZNDQYNOO-LBPRGKRZSA-N 301.416 1.433 10 10 DDCE COC[C@](C)(N)c1cc(I)ccc1O 1951664483 AQSWPQKWPDXTFA-JTQLQIEISA-N 307.131 1.817 10 10 DDCE CN(CC[C@H](O)CO)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977929318 JJUXWYQMZRDVDW-HNNXBMFYSA-N 324.421 1.891 10 10 DDCE C[C@@H]1C[C@]1(CNC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980371466 WAGVREKRTHYMHM-BDBYMAIGSA-N 324.421 1.803 10 10 DDCE CN(c1c(F)cc(CO)cc1F)[C@@H]1CS(=O)(=O)C1(C)C 2153847056 YRUWCDSZQNVAED-LLVKDONJSA-N 305.346 1.469 10 10 DDCE CN(C)[C@@H]1CN(c2ccc(CN)cc2Br)C[C@@H]1O 2029432230 FCCCDWMEPPWYMB-OLZOCXBDSA-N 314.227 1.019 10 10 DDCE CC(C)(NCc1c(O)cccc1Br)c1nn[nH]n1 2033671826 ASJYMZQFRHZSNO-UHFFFAOYSA-N 312.171 1.693 10 10 DDCE O=C(O)c1cc(NS(=O)(=O)[C@@H]2CCC[C@@H]2F)ccc1O 2175558775 GHVVVUMDCMADJD-GXSJLCMTSA-N 303.311 1.723 10 10 DDCE O=C(NCc1c(O)cc(O)cc1O)C1CCN(C2CC2)CC1 2065151205 XIOITWNEQGEXNT-UHFFFAOYSA-N 306.362 1.294 10 10 DDCE CN(C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1ccc(CN)c(Cl)c1 2174638601 IUHLDUPDHNJIGO-XYYAHUGASA-N 314.838 1.526 10 10 DDCE C[C@H](N)c1cc(F)c(N2CCS(=O)(=O)[C@@H](C)C2)c(F)c1 2194703012 QUUCQOZEIPIUHH-IUCAKERBSA-N 304.362 1.608 10 10 DDCE CS(=O)(=O)[C@H]1C[C@@H](CNCc2ccc(F)c(F)c2O)C1 2192327062 BWZNABYQWPQVSS-WAAGHKOSSA-N 305.346 1.583 10 10 DDCE NCc1ccc(N2CC(=O)N[C@@H]3CC[C@@H]32)cc1Br 2049372513 URMAENUTEGRLMS-NEPJUHHUSA-N 310.195 1.375 10 10 DDCE OCC1(NCc2cc(Br)cc(F)c2O)CC(O)C1 2073605708 WAQFHPBLYTXIHG-UHFFFAOYSA-N 320.158 1.269 10 10 DDCE O=S1(=O)C[C@H]2CCN(Cc3ccc(Cl)cc3O)[C@@H]2C1 2094881801 AWKGHVACYTVMOM-ZYHUDNBSSA-N 301.795 1.665 10 10 DDCE COC(=O)C(C)(C)CS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])C1 2290099163 HCEMAEVSBRXNND-SECBINFHSA-N 304.372 1.290 10 10 DDCE COCCc1nc(CNCc2cnc(SC)s2)no1 2269196334 FBYNBRIUUWSLLH-UHFFFAOYSA-N 300.409 1.727 10 10 DDCE CSc1ncc(CNC[C@H](O)COCCOC(C)C)s1 2284505157 SDRSZOCAJHZHRN-NSHDSACASA-N 320.480 1.757 10 10 DDCE O=S(=O)(CCCNCc1cccc(F)c1O)C(F)(F)F 2286438478 GRKQRCRCVZHREC-UHFFFAOYSA-N 315.288 1.946 10 10 DDCE Cn1cc(Br)nc1[C@@H](O)[C@@H](N)c1ccccc1O 2328463110 WCHBZRDQKFHIHK-QWRGUYRKSA-N 312.167 1.622 10 10 DDCE CCOCCOCC(=O)NCc1ccc2c(c1)CCCN2C 121923583 WHHCXXZYBZLNJV-UHFFFAOYSA-N 306.406 1.738 10 10 DDCE COc1ccc(CN[C@@H](C)CCN2CCN(C)CC2)c(O)c1 185869455 AZXKHIJUMAOIOU-AWEZNQCLSA-N 307.438 1.516 10 10 DDCE CCCC(=O)NCC(=O)N1CCN(c2ccc(OC)cc2)CC1 41428750 KDFNLAMOOACVSK-UHFFFAOYSA-N 319.405 1.260 10 10 DDCE COc1cc(Cl)c(N2CC[C@H](O)C[C@H]2CO)c(OC)c1 2368287371 GYERNKGZMKVNKV-UWVGGRQHSA-N 301.770 1.679 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)c1c(C(=O)O)cnn1C 901978264 ZFZUOQRUUWZOPC-UHFFFAOYSA-N 316.361 1.423 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc2c(c1)nc(O)n2CC1CC1 909667999 RJKYVDXFJWSRAJ-UHFFFAOYSA-N 316.313 1.467 10 10 DDCE Oc1ccc(F)cc1CNC1CCC(N2CCNCC2)CC1 841087416 NRCLPSQVJJUCCW-UHFFFAOYSA-N 307.413 1.837 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@@]3(CCSC3)C1)[C@@H](O)CO2 842620797 ULQIKLQFDCELCU-HOCLYGCPSA-N 323.414 1.526 10 10 DDCE COC(=O)/C=C/c1ccc(N2C[C@@H]3CNC[C@@H]3C2)c([N+](=O)[O-])c1 842292650 GHPIDAXNCCYKTB-AYKMPCHXSA-N 317.345 1.437 10 10 DDCE CCOCCCNC(=O)[C@H](C)N1CCCc2cc(CN)ccc21 843349540 CPKYGKFNQRJDNK-AWEZNQCLSA-N 319.449 1.829 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](N)C(C)C)C2)cc1 851664626 HHIKUENWQCGKBO-XJKSGUPXSA-N 320.437 1.556 10 10 DDCE CN1CCC[C@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O 925290480 DUSHVYVWWAULFR-ZDUSSCGKSA-N 303.362 1.251 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)NCCOCCCN 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10 10 DDCE Cn1nnc(Br)c1[C@H](O)CCc1ccc(N)cc1 695880829 VBYFVHPSJFPCMV-SNVBAGLBSA-N 311.183 1.826 10 10 DDCE Cc1cncc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)n1 1453536791 MLUMKJGAOBXBAH-UHFFFAOYSA-N 312.333 1.920 10 10 DDCE O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc(O)c1O 1636993114 UIVBAXUYXBRGLK-AAEUAGOBSA-N 319.357 1.698 10 10 DDCE Cc1cc(O)nc(C(C)(C)NC(=O)c2cccc(O)c2O)n1 1644226182 LALNEXPVFSMOTH-UHFFFAOYSA-N 303.318 1.567 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc2oc(O)nc2n1 1647270423 RUOGFDXUYGZVGD-UHFFFAOYSA-N 301.258 1.270 10 10 DDCE CC[C@H](F)C(=O)NC[C@@H](O)CNCc1ccc(OC)c(C)c1 1667870491 ILDYBXLTRPATCQ-KBPBESRZSA-N 312.385 1.318 10 10 DDCE NN1C(=O)/C(=C/c2cccc(OCCC(=O)O)c2)SC1=S 16905033 KXDUHWTXUMLWLB-YFHOEESVSA-N 324.383 1.615 10 10 DDCE COCCNCc1ccc(N2CCCNC(=O)C2)c(Cl)c1 164115993 KCVCIHOOMFUUTB-UHFFFAOYSA-N 311.813 1.402 10 10 DDCE Cc1cc(=O)c(OCCC(N)=O)cn1Cc1ccc(N)cc1 1857915027 CBYYPPBODPWSBY-UHFFFAOYSA-N 301.346 1.041 10 10 DDCE CNCc1ccc(N(C)[C@@H]2CCNC2=O)c(Br)c1 1916819262 UXYCLCLBTNUMHN-GFCCVEGCSA-N 312.211 1.493 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@@H]1c1cc(O)nc(O)c1 1952994152 XDAJAKMTWXYTNX-SKDRFNHKSA-N 324.333 1.876 10 10 DDCE CNC(=O)C(C)(C)NCc1cc(Br)ccc1O 312848374 RGAAWQZHTSYJAO-UHFFFAOYSA-N 301.184 1.769 10 10 DDCE C[C@H]1SCC[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 313328033 KVHLNOSXFMODGF-ZWNOBZJWSA-N 316.448 1.461 10 10 DDCE COc1nscc1S(=O)(=O)N(C)Cc1ccc(N)cc1 714353129 CLZKQHSWZGVPGG-UHFFFAOYSA-N 313.404 1.555 10 10 DDCE COc1ccc(O)c([C@@H](C)n2cc(C(=O)NC3CC3)c(O)n2)c1 2070644766 BTWOSAWRVVPZKN-SECBINFHSA-N 317.345 1.804 10 10 DDCE CNCc1ccc(N2C[C@@H](O)C[C@H](O)C2)c(Br)c1 2043133152 UCGZHSOGYBGBPT-QWRGUYRKSA-N 315.211 1.100 10 10 DDCE CSc1ncc(CNC(=O)N2[C@@H](C)C[C@H]2C(=O)O)s1 2269134796 QCOYDFBLRXFFJW-XPUUQOCRSA-N 301.393 1.622 10 10 DDCE CSc1ncc(CN[C@@H]2CS(=O)(=O)N(C)C2(C)C)s1 2208798746 BEPXZPXPZPURFK-SECBINFHSA-N 321.493 1.377 10 10 DDCE Cn1nc(Br)c(C(=O)N2CCC[C@H]2CN=[N+]=[N-])n1 2219805614 KCXMUCNKKLQCLO-LURJTMIESA-N 314.147 1.493 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2C[C@@H](N)CC(C)(C)O2)s1 2284509718 WXVDOXHIGSFGPZ-SCZZXKLOSA-N 315.464 1.766 10 10 DDCE C[C@H](N)c1cc(F)c(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)c(F)c1 2361611976 MVVHHYFONGDYTN-QOSJWCAFSA-N 302.346 1.218 10 10 DDCE CC(=O)NN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 40867548 YDWZPNDBBUGISM-POHAHGRESA-N 322.367 1.637 10 10 DDCE O=C(CN1C(=O)CSC1=S)N1CCc2ccccc2C1 82309295 FDIAWWMEHXGXHF-UHFFFAOYSA-N 306.412 1.432 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](C)Oc1ccc(F)cc1Cl 808518028 WIUNLSMCVZTGOA-QMMMGPOBSA-N 302.685 1.948 10 10 DDCE CCCNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 299330206 IDPLSVCRJCBBMS-UHFFFAOYSA-N 320.437 1.526 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(O)nc1 831924673 LHCOVTHCTQRSAE-JTQLQIEISA-N 302.330 1.488 10 10 DDCE Nc1ccc(CCNC(=O)N2CCO[C@]3(CCCOC3)C2)cc1 841963141 XMSDQLYYOFTHNM-QGZVFWFLSA-N 319.405 1.402 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)COC(F)F)C2)cc1 855226846 TUTDCHDLNRNXBH-JTQLQIEISA-N 300.305 1.629 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)CCCO3)C2)cc1 855233925 PILHQXGXSVOEHP-SUMWQHHRSA-N 304.390 1.959 10 10 DDCE C[C@H]1CC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)CN1 863485152 VMEQCBHVTKRZCU-ZFWWWQNUSA-N 307.413 1.892 10 10 DDCE O=C1CN(Cc2ccccc2O)C(=O)N1c1ccn(CCF)n1 864577050 QJVJANJJULNPHX-UHFFFAOYSA-N 318.308 1.527 10 10 DDCE COC(=O)[C@@]12C[C@@H](NC(=O)NCc3ccccc3O)C[C@@H]1C2 875184978 VDWHLSYZEKLILS-WQGACYEGSA-N 304.346 1.533 10 10 DDCE C[C@]1(NC(=O)C(F)(F)F)CCN(Cc2ccc(N)cc2)C1 1959527940 DDECOFSCDXOAGB-ZDUSSCGKSA-N 301.312 1.912 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@H]1CC(c2ccccn2)=NO1 1303875164 BNXWCXVPGMIBCS-OAHLLOKOSA-N 315.304 1.736 10 10 DDCE CN1C[C@H]2CN(c3ccc(CN)cc3Br)C[C@@H]2C1 707070810 GLSFIRLHMMIMRT-RYUDHWBXSA-N 310.239 1.906 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)Cc1c(O)cccc1Cl 697034760 AGKDZXVGHAPKOW-DGCLKSJQSA-N 319.810 1.289 10 10 DDCE CCOc1cc(CNCCCOC)ccc1N1CCNCC1 212026629 MJBFQPJGXKHJFU-UHFFFAOYSA-N 307.438 1.621 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCc1ccc([N+](=O)[O-])cc1 1542235080 LACCDVUKXFKUJZ-UHFFFAOYSA-N 316.313 1.907 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](CO)c1cccnc1 1639448455 UGMZUQUCPIUEOT-DIECRNLCSA-N 300.314 1.356 10 10 DDCE O=C(CCC1CCCC1)NCC(=O)NCc1cc(O)ccc1O 1637126374 VVSWTIQAXJVUML-UHFFFAOYSA-N 320.389 1.801 10 10 DDCE NC(=O)Cc1occc1C(=O)N1CCCc2ccnc(O)c21 1586061730 OSKGYCPDWLVMOJ-UHFFFAOYSA-N 301.302 1.001 10 10 DDCE COC(=O)CCC(=O)Nc1sc2c(c1C(=O)OC)CCC2 5510760 QUEWEUPLMACXPF-UHFFFAOYSA-N 311.359 1.915 10 10 DDCE CN1C[C@H](c2cccc(N)c2O)N(C(=O)OC(C)(C)C)CC1=O 1953012499 SHTSOINQSNTDDV-GFCCVEGCSA-N 321.377 1.725 10 10 DDCE COC(=O)C1(Oc2ccc(N)cc2)CN(C(=O)OC(C)(C)C)C1 1992458540 ZRLCVLWVWNOJSL-UHFFFAOYSA-N 322.361 1.810 10 10 DDCE C[C@H](c1ccc(F)cc1O)N(C)CCS(=O)(=O)N(C)C 2151046952 JQXBOGVUQDSWGY-SNVBAGLBSA-N 304.387 1.416 10 10 DDCE CC(C)(C)[C@@](C)(O)CNS(=O)(=O)Cc1ccc(N)cc1 2151100728 BJXXKTSPLXUJPV-AWEZNQCLSA-N 300.424 1.485 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c(Cl)c1 2151269465 OEADVXOWDMUBAO-PXWWUCIGSA-N 314.838 1.983 10 10 DDCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CCN(Cc2ccccc2)C1 309582945 OXULYGKSSSCZFT-OAHLLOKOSA-N 302.382 1.406 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H]2[C@H]3CCC(F)(F)[C@H]32)cc1 2170820473 LXLMZXVQQYLXSM-QJPTWQEYSA-N 302.346 1.732 10 10 DDCE C[C@H](N)c1ccc(N2CCOC[C@@H](O)C2)cc1Br 399854158 ITOXMRAPTPXPHT-ONGXEEELSA-N 315.211 1.666 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3C[C@H](C)OC4(CCC4)C3)c2n1 2062381696 NJQWSIHFNCMGNW-NSHDSACASA-N 316.361 1.527 10 10 DDCE COc1ccc([C@@H](C2CC2)n2nc(C)c(CO)c2N)c(O)c1 2079971488 HTEIMCRIRLGBOW-OAHLLOKOSA-N 303.362 1.980 10 10 DDCE COC(=O)c1c(C)nn([C@@H](C)c2ccc(OC)cc2O)c1N 2079972659 XYZRWMVHXNPYHA-VIFPVBQESA-N 305.334 1.884 10 10 DDCE C[C@H](O)c1ccc(N2CC(NC(N)=O)C2)cc1Br 2044811574 AKNCFVSGROLJGR-ZETCQYMHSA-N 314.183 1.359 10 10 DDCE C[C@H]1[C@H](C)S(=O)(=O)CCN1c1ccc(CN)c(Cl)c1 2113894823 PSXASTPAKZDHPZ-UWVGGRQHSA-N 302.827 1.811 10 10 DDCE C[C@@](O)(CO)[C@@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2202839196 CWEPSHRBKSQDRX-QMTHXVAHSA-N 302.777 1.507 10 10 DDCE CC(F)(F)CC[S@](=O)C[C@@H](O)COc1ccc(N)cc1 2283692531 BITOGAZILOHNMF-YBTHPKLGSA-N 307.362 1.803 10 10 DDCE COC(=O)c1cc(=NCc2cnc(SC)s2)[nH]cc1N 2284656177 YHPABEMNPJZPPP-UHFFFAOYSA-N 310.404 1.663 10 10 DDCE CSc1ncc(CN=c2[nH]c(C(C)(C)C)nc(=N)[nH]2)s1 2284710185 GUVAAUQUUBPRTN-UHFFFAOYSA-N 310.452 1.794 10 10 DDCE CN(c1cc(Cl)c(CN)cc1F)[C@H]1COC2(COC2)C1 2286287660 LYMHWYXRMVGHOU-SNVBAGLBSA-N 300.761 1.932 10 10 DDCE O=C(O)C1=NN(c2ccc(F)c(Br)c2)C(=O)C1 2301793523 CQXBSOFEHNTDSA-UHFFFAOYSA-N 301.071 1.766 10 10 DDCE Cc1ccc(CNCCn2cnnn2)c(O)c1Br 2327622322 WZQUITGXIFMELC-UHFFFAOYSA-N 312.171 1.239 10 10 DDCE C[C@@H](c1ccccc1O)N(C)C(=O)C[C@@H]1CCS(=O)(=O)C1 38089782 HFFGYSMVSODOFY-RYUDHWBXSA-N 311.403 1.736 10 10 DDCE C[C@@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccc(F)cc1F 121037691 MWCAVFJNHHFZIT-MRVPVSSYSA-N 323.299 1.550 10 10 DDCE Cc1ncsc1CNC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 71213498 NZOJAXFHJUIRDB-JTQLQIEISA-N 307.375 1.049 10 10 DDCE O=[N+]([O-])c1cc(NS(=O)(=O)CCOCC2CC2)ccc1O 818049554 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COc1ccc(N2CCN(C[C@@H]3CCC4(CNC4)O3)CC2)cc1 852746653 PCOHAHPSUULFEV-KRWDZBQOSA-N 317.433 1.338 10 10 DDCE COC[C@H](C)OC[C@@H](O)CN1CCCc2cc(CN)ccc21 923285873 GZLVHFSEWWFPPZ-BBRMVZONSA-N 308.422 1.310 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3nnc(C)s3)C2)cc1 853818008 QIJZLQAOWNKREX-LLVKDONJSA-N 318.402 1.864 10 10 DDCE C[C@@H](NS(=O)(=O)c1c(Cl)cnn1C)c1ccccc1O 867834797 OBMYKEKPLWTHKY-MRVPVSSYSA-N 315.782 1.819 10 10 DDCE NC(=O)C1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 779511053 FEFHWULBINJLBU-KRXBUXKQSA-N 304.346 1.271 10 10 DDCE C[C@H]1CN(C(=O)c2cn(C)nc2-c2cccnc2)c2ccnn2C1 893892919 QUZXABSCNDYNTQ-LBPRGKRZSA-N 322.372 1.975 10 10 DDCE C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCN1CCO 792180865 VNQGRCWYKSSLIZ-JTQLQIEISA-N 302.777 1.683 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CC2(CCOCC2)CO1 1152023907 XVOLFXJYRXVPQN-ZDUSSCGKSA-N 321.373 1.342 10 10 DDCE COc1cc(Cl)cc(CN2C[C@@H](O)C[C@H]2C(=O)O)c1O 1963427562 JQNHSYVLHATORP-UWVGGRQHSA-N 301.726 1.074 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)cc1Cl 702987868 KKZXRXJSSPIMTE-VHSXEESVSA-N 318.826 1.521 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@H](O)C[C@@H]2CO)c(Br)c1 704631923 ABCROPNNOXEYBQ-FBIMIBRVSA-N 316.195 1.434 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2CC[C@@H]3CN(C)C[C@@H]32)c1O 1346659626 BLYGPRSLPGPERG-HZSPNIEDSA-N 319.405 1.540 10 10 DDCE CC(C)[C@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O 1467935378 QPSLJGRWZGVDOP-AWEZNQCLSA-N 305.338 1.479 10 10 DDCE O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(O)cc1O 1557084469 AHYRQUIISXAPTC-UHFFFAOYSA-N 318.285 1.701 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)[C@@H](C)NC(C)=O)cc1C 1569044587 YHOUCXHJSJSOGI-QWHCGFSZSA-N 321.421 1.123 10 10 DDCE CC(C)CN1N=C(C(=O)NCc2ccc(O)cc2O)CCC1=O 1630301880 LFYMPCPVLRKHEY-UHFFFAOYSA-N 319.361 1.348 10 10 DDCE C[C@H]1C[C@H](N2CCCC2)CN1C(=O)Cc1ccc(O)c(O)c1 1640421479 GNROWGHOGNCCAH-JSGCOSHPSA-N 304.390 1.726 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](O)CC2(CCOCC2)C1 1650840697 GLQGJJMUIRUVJD-ZDUSSCGKSA-N 321.373 1.030 10 10 DDCE CCN(C)CCNC(=O)NCCCSc1nccs1 152843164 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DDCE CN(c1ccc(CO)cc1Br)[C@H]1CCC(=O)NC1 2063562121 QCTVWVJZNNSRPO-JTQLQIEISA-N 313.195 1.656 10 10 DDCE CN1C[C@@H](N(C)Cc2ccc(Br)cc2O)CC1=O 2068195693 IDVTZEZNOPLCHI-NSHDSACASA-N 313.195 1.817 10 10 DDCE CNCc1ccc(N2CC(=O)N[C@H]3CC[C@H]32)cc1Br 2112061857 NNEQUCTZURDAHE-QWHCGFSZSA-N 324.222 1.636 10 10 DDCE COC(=O)C1(CS(=O)(=O)N[C@@H]2CCC[C@H]2N=[N+]=[N-])CC1 2290102501 WIAHDEPDRPLDPA-RKDXNWHRSA-N 302.356 1.090 10 10 DDCE CSc1ncc(CNC(=O)N[C@@]2(C(=O)O)CC2(C)C)s1 2284510205 ZLNQAEMZSVKSBH-GFCCVEGCSA-N 315.420 1.918 10 10 DDCE COc1cc(OC)c(N2CC[C@H](OCCO)C2)cc1Cl 2285919550 KPZAJDBHWCLNLW-JTQLQIEISA-N 301.770 1.945 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CC[C@H]3CNC[C@@H]3O2)s1 2289403331 QTJBGWMXJPCQRQ-LSJOCFKGSA-N 313.448 1.248 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)N2CCCc3ncccc32)c1 492928056 XEFMSHXTVYFUCG-SREVYHEPSA-N 322.368 1.829 10 10 DDCE Cc1ccc(CNC(=O)[C@@H]2NC[C@H]2C)c(O)c1Br 2327590679 ANKIYTADYNODPN-LDYMZIIASA-N 313.195 1.687 10 10 DDCE Cc1ccc(CN(CCO)CCCO)c(O)c1Br 2327627140 AAOBNMOGIUGCBA-UHFFFAOYSA-N 318.211 1.640 10 10 DDCE CN(Cc1cccc(F)c1O)[C@H]1CC[C@@H](S(C)(=O)=O)C1 2361672618 RHZHYOBZOZIRAA-NWDGAFQWSA-N 301.383 1.929 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)CC2CC2)cc1C 1272351455 KZXKYHKFONDEQG-OAHLLOKOSA-N 306.406 1.370 10 10 DDCE COc1ccc(O)c([C@@H](C)NC[C@@H](O)CN2CCCC2=O)c1 182391205 AHHOFCZNCPVKMC-VXGBXAGGSA-N 308.378 1.035 10 10 DDCE C[C@@H](NC=C1C(=O)NC(=S)NC1=O)c1ccc(F)cc1F 121036718 SMBWHUVLFUEWCP-ZCFIWIBFSA-N 311.313 1.030 10 10 DDCE C[C@@H](NCC1CN(S(C)(=O)=O)C1)c1cc(F)ccc1O 187817832 OOCUAYZMUJPHBW-SECBINFHSA-N 302.371 1.073 10 10 DDCE C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)CCS(=O)(=O)C1 192069201 RUOIXDICRCEIGP-JTQLQIEISA-N 314.363 1.167 10 10 DDCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@H]1CCOC1 255074514 NYQIDHZUJASSFN-BYPUDFOVSA-N 302.374 1.442 10 10 DDCE CC(=O)C(=O)COC(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 808523948 XPBLFQZLSUNBLB-AWEZNQCLSA-N 317.313 1.037 10 10 DDCE COc1ccc(O)c(CNC(=O)c2cc3c(cn2)OCCO3)c1 819399496 WGBLXERJHWKXLL-UHFFFAOYSA-N 316.313 1.497 10 10 DDCE CS(=O)(=O)N1CCCC[C@@H]1CN[C@H]1CCc2cccc(O)c21 834798487 HCDVJDLOJLKZME-KGLIPLIRSA-N 324.446 1.783 10 10 DDCE COc1ccc(N2CCC(NC(=O)NC/C=C/CN)CC2)cc1 841779017 KJZVHWJNJLAUCS-NSCUHMNNSA-N 318.421 1.478 10 10 DDCE O=C(N[C@H]1CCCN2CCSC[C@@H]12)c1cccc(O)c1O 928093837 ZBXZVDICYOFPDR-RYUDHWBXSA-N 308.403 1.407 10 10 DDCE CN(C)CCC[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 850750634 MTHBQFPVABJRNE-OAHLLOKOSA-N 306.410 1.843 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3c[nH]nc3C)C2)cc1 855233026 VTFASDJTXOXPCT-GFCCVEGCSA-N 300.362 1.735 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3CCCN3)C2)cc1 851664573 FVQALGMTMUCZNN-ZIAGYGMSSA-N 318.421 1.325 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H](N)CC(C)C)C2)cc1 852844487 VBRQGCVJTFVVIN-XJKSGUPXSA-N 305.422 1.764 10 10 DDCE COc1cccc([C@@H](C)NC[C@@]2(OCCO)CCOC2)c1O 850506553 FREWMJHAAIZPGM-WBMJQRKESA-N 311.378 1.219 10 10 DDCE CN1CCN(c2ccc(CN[C@@H]3CN4CCC[C@H]3C4)cc2)CC1 926855266 SOLMEEXOLIJSBR-PKOBYXMFSA-N 314.477 1.622 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@H](C)CO)C2)cc1 854296630 FLBDUGIQOJVJJP-CHWSQXEVSA-N 307.394 1.296 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(O)CCSC3)C2)cc1 855233702 KWQQPRKZXKFWBV-MLGOLLRUSA-N 322.430 1.258 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)[C@]12C[C@H]1COC21CCC1 934939877 XZNRZTYMZAZFKQ-SJCJKPOMSA-N 303.358 1.716 10 10 DDCE O=C1C[C@H]2CC[C@@H](CN1)N2Cc1ccc(N2CCOCC2)cc1 769493856 XLNQQDLRAISLEC-SJORKVTESA-N 315.417 1.376 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)c2cccnn2)cc1 862128770 JIFKMMMMQRCSQD-UHFFFAOYSA-N 300.362 1.694 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@](C)(CO)CC(=O)O)cc1 1119615054 DPVSSBHGVYIKBX-LAQIPUCWSA-N 306.406 1.829 10 10 DDCE O[C@@H](CNCc1ccc2c(c1)CCO2)CC1(O)CCOCC1 872200382 PRMULFXTPJRGPK-OAHLLOKOSA-N 307.390 1.004 10 10 DDCE CNC(=O)[C@@H](NCc1ccc(N2CCOCC2)cc1)C(C)C 776254024 ZLRVVWQDPSVXOA-INIZCTEOSA-N 305.422 1.383 10 10 DDCE CC[C@H](C(N)=S)S(=O)(=O)N(C)Cc1ccccc1O 1877529157 NQCSZZMFHDADAM-LLVKDONJSA-N 302.421 1.219 10 10 DDCE O=C1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1138159702 GGYBQJFNGWRTSC-OLZOCXBDSA-N 319.357 1.237 10 10 DDCE CCOC(=O)[C@H](CCOC)NC(=O)/C=C\c1ccc(O)c(O)c1 799071379 JDYJBJBIFZAXOZ-HWPRWLFBSA-N 323.345 1.195 10 10 DDCE COc1ccc(C(=O)NCc2ccc3cccnc3c2O)nn1 1162607147 IZADNLSIQZJIAE-UHFFFAOYSA-N 310.313 1.669 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](F)[C@H](C(=O)NCCN=[N+]=[N-])C1 1885563408 UIDCTFXQGVAUDD-RKDXNWHRSA-N 301.322 1.618 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cc3c(=O)[nH]c(C)cn3n2)c1 1470258138 QINQHTUDSYBVPR-UHFFFAOYSA-N 312.329 1.275 10 10 DDCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)Cc1ccccc1 1623424933 CQOYVVJBONYNQY-LBPRGKRZSA-N 313.353 1.957 10 10 DDCE Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(O)cc1O 1643104181 OXCRFOGTKFDMAL-UHFFFAOYSA-N 303.274 1.518 10 10 DDCE CCO/C=C\C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1589195585 VDUKLDBTLHANEB-JYRVWZFOSA-N 303.406 1.605 10 10 DDCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)Cc1ccccc1 1596905772 WTWOHCZNPOKJBC-BLLLJJGKSA-N 315.369 1.749 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2cc(C)[nH]n2)cc1C 1699395626 BNGXBRWOXDTCAM-ZDUSSCGKSA-N 316.405 1.943 10 10 DDCE CN1NC(=O)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C1=O 169996348 RNKIEORMMZDXFW-VIFPVBQESA-N 316.144 1.441 10 10 DDCE COc1cc(O)c(CN2CCC[C@H](NC(C)=O)C2)cc1OC 158870386 VRMRLCIQOFSPRM-ZDUSSCGKSA-N 308.378 1.510 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCN1c1nccs1 156139612 VZNMXXFZXOPTFI-LLVKDONJSA-N 319.386 1.840 10 10 DDCE CC1=NN(C(N)=S)C(=O)[C@H]1N=Nc1cccc([N+](=O)[O-])c1 253916081 XEPSQOAITPBERB-VIFPVBQESA-N 306.307 1.509 10 10 DDCE Cc1cc(NS(=O)(=O)N2CCC(O)CC2)c(C)cc1O 1914144277 QRIJJFLWDSKPGV-UHFFFAOYSA-N 300.380 1.122 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CC(F)C3)c(Br)cc21 1916990943 INGUFSALAAJHGY-SNVBAGLBSA-N 300.131 1.559 10 10 DDCE CC(=O)NCCCNCc1cccc(Br)c1O 236647246 YLLVRNRGITXQRE-UHFFFAOYSA-N 301.184 1.771 10 10 DDCE C[C@@]1(c2cc(I)ccc2O)CC(=O)N1 1951874201 XYWRHROYTKVTIL-JTQLQIEISA-N 303.099 1.732 10 10 DDCE CCN(CCN=[N+]=[N-])S(=O)(=O)c1nc(C)n(C)c1Cl 2338795041 HYXCNXMEPJSJSV-UHFFFAOYSA-N 306.779 1.703 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 1977680806 UKPCQBSPJCGWSV-CQSZACIVSA-N 319.405 1.937 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(N)cc2)[C@H](O)C1 1981514142 KEEYCGFDSLLNBK-LSDHHAIUSA-N 321.421 1.729 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NCc1ccc(O)c(O)c1O 1986712914 ORUOIOSCCZVVHG-MNOVXSKESA-N 324.377 1.949 10 10 DDCE CN(C)CCN(CCO)c1ccc(CO)cc1Br 2038017344 SOBDSMFYBJQPRU-UHFFFAOYSA-N 317.227 1.302 10 10 DDCE COC1(CO)CN(c2ccc([C@@H](C)N)c(Br)c2)C1 2039552323 LPYYLDRYTUTFLE-SECBINFHSA-N 315.211 1.666 10 10 DDCE CC[C@]12CN3C[C@](C)(CN(C1)C3c1ccc(O)cc1O)[C@H]2O 2059113418 NWWNKZNDIIUWIG-IFFAKLHKSA-N 304.390 1.505 10 10 DDCE NCc1ccc(N2CC[C@@H](O)[C@@H](CO)C2)c(Br)c1 396885193 NENYITWSDBCMGE-ZWNOBZJWSA-N 315.211 1.087 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)C12CC(CN1C1CC1)C2 2063239233 UMPPTVMGPZUXLT-UHFFFAOYSA-N 302.374 1.383 10 10 DDCE O=S(=O)(NCCc1ccc(O)c(O)c1)[C@@H]1CCC[C@H]1F 2175563121 OROSWELHOGPRNF-ZWNOBZJWSA-N 303.355 1.450 10 10 DDCE Nc1ccc(OCC(=O)NCC2CCC3(CC2)OCCO3)cc1 2191654268 PEBSXFYFFYAMSW-UHFFFAOYSA-N 320.389 1.697 10 10 DDCE COc1ccc(O)c(CNCCCS(=O)(=O)C(F)F)c1 2237645663 ZRYKDESKQQSEPI-UHFFFAOYSA-N 309.334 1.518 10 10 DDCE CNc1nc[nH]c(=NCc2cnc(SC)s2)c1[N+](=O)[O-] 2284721690 KOKKELAWJLRXQZ-UHFFFAOYSA-N 312.380 1.639 10 10 DDCE CSc1ncc(CNC(=O)[C@]2(N)C[C@@H]3OCCC[C@@H]32)s1 2288404691 RZVHSHXOGRHRDW-KWBADKCTSA-N 313.448 1.378 10 10 DDCE COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(C)cc(C)c1O 8548879 WJAGDVWBWXTMEM-GFCCVEGCSA-N 306.387 1.975 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCO[C@]3(CCOC3)C2)cc1 184575637 HRSBAGKPPLBJBO-QGZVFWFLSA-N 319.405 1.454 10 10 DDCE NC[C@H](N)c1cc(Br)cc(Br)c1O 95641667 FXZSTGLZUPIQMP-ZETCQYMHSA-N 309.989 1.876 10 10 DDCE Cc1cc(CO)oc1C(=O)OCC(=O)c1ccc(O)c(O)c1 801424075 MICSLMIHVSSLBP-UHFFFAOYSA-N 306.270 1.531 10 10 DDCE NC(=S)C[C@H](NC(=O)c1cccc(O)c1O)C(F)(F)F 2164545422 WRBMRHFSRCPTIX-ZETCQYMHSA-N 308.281 1.435 10 10 DDCE Nc1cc(O)ccc1NS(=O)(=O)C[C@@H]1C[C@H]1C(F)(F)F 2164653408 ZEDCBHXIIZYVGX-POYBYMJQSA-N 310.297 1.915 10 10 DDCE Cn1cnc(/C=C2/OCCn3c2nc(Br)c3C=O)c1 901575689 SOVYQYXPHFHVHT-ONNFQVAWSA-N 323.150 1.720 10 10 DDCE COC(=O)[C@@H]1[C@H](O)CCCN1C/C=C\c1ccc(N(C)C)cc1 835045736 POGBXMBJHGCPRH-FJKMSNPNSA-N 318.417 1.764 10 10 DDCE COCCNC(=O)C1(NC/C=C/c2ccc(N(C)C)cc2)CC1 839193598 UAWJIVNGJDLLGN-SNAWJCMRSA-N 317.433 1.651 10 10 DDCE CC1(OCC(=O)NCc2ccc(N3CCCC3)cc2)CNC1 844173301 SXISGNYHPSWJEU-UHFFFAOYSA-N 303.406 1.282 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C[C@](C)(O)C3CC3)C2)cc1 855233930 PMAZNWMREYPNLO-KSSFIOAISA-N 318.417 1.941 10 10 DDCE Cc1cc(O)c(CNC[C@]23COCCN2C(=O)OC3)cc1C 865769707 LTMWZDPBRSFHKM-MRXNPFEDSA-N 306.362 1.320 10 10 DDCE CNCCOCCN(C)C(=O)NCc1ccc(N(C)C)cc1C 861583381 SPSLLSFHLPXYDY-UHFFFAOYSA-N 322.453 1.438 10 10 DDCE COC(=O)C[C@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 871235179 PMLCKXXYDLRGSE-AUNFYEFLSA-N 319.357 1.959 10 10 DDCE COCc1nc(C(=O)OCC(=O)c2ccc(O)c(O)c2)co1 784811175 XLWNYXKANWKECT-UHFFFAOYSA-N 307.258 1.272 10 10 DDCE O=C(Cc1ccc(F)cn1)OCC(=O)c1ccc(O)c(O)c1 795889283 BKBMCKOACUQWDP-UHFFFAOYSA-N 305.261 1.601 10 10 DDCE COCCNC(=O)NCc1cc(Br)ccc1O 794804598 NIJCGCKYNSGKAI-UHFFFAOYSA-N 303.156 1.600 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1coc(C2CCOCC2)n1 1142533832 SHOOCVRMQZOINS-UHFFFAOYSA-N 318.329 1.910 10 10 DDCE OCCO[C@@]1(CNCc2ccc(N3CCCC3)cc2)CCOC1 1329556655 HOKDOCAYVKFTCA-GOSISDBHSA-N 320.433 1.544 10 10 DDCE CS(=O)(=O)CC1(CCNCc2cccc(F)c2O)CC1 692820054 UXUQVFSGQXAHFP-UHFFFAOYSA-N 301.383 1.836 10 10 DDCE Cc1nnc(CN(C)S(=O)(=O)Cc2ccc(N)cc2)s1 697527083 UMYMPMWVBDQTOJ-UHFFFAOYSA-N 312.420 1.391 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2ccnn2C)cc1C 1268641576 YUCZRCQHDYRLSM-CYBMUJFWSA-N 316.405 1.645 10 10 DDCE Cc1cc(C(=O)NCc2c(O)cccc2O)n2nc(C)cc2n1 1456237086 SPKHUIXFEUFPTD-UHFFFAOYSA-N 312.329 1.687 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H](S(C)(=O)=O)C2)c(Cl)c1 2123338616 ZBTIYPJJIHUYCT-GXSJLCMTSA-N 302.827 1.983 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H]([C@H]2CCCO2)C1 1630474425 SZJWRMDFFJVIEA-CABCVRRESA-N 307.346 1.047 10 10 DDCE CC(C)(C)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O 1587938707 BEJWQIANOMFZIJ-SNVBAGLBSA-N 305.338 1.479 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccnc(-n2cccn2)c1 1597573391 DLLCLFPKFQGHBH-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE COc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)NC2=O)c1O 13476309 SJFFSUAUBAEMDD-BAQGIRSFSA-N 312.328 1.798 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C(N)=O)cn1C 155137341 FRZKHFXYSYRDJO-UHFFFAOYSA-N 314.389 1.428 10 10 DDCE CS(=O)(=O)N1CCC[C@H](N2CCC(CN=[N+]=[N-])CC2)C1 1912172789 HKBNVBFODATHEF-LBPRGKRZSA-N 301.416 1.433 10 10 DDCE CC[C@@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)CN1Cc1ccccc1 1912199633 VMHAAGRMIJLJTF-GDBMZVCRSA-N 316.409 1.795 10 10 DDCE CNCc1ccc(N2CCS(=O)(=O)C[C@H]2C)c(Cl)c1 228795519 MKEZHKPAKUWOBF-SNVBAGLBSA-N 302.827 1.683 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NCc1ccc(O)c(O)c1 1937552456 FMDJMCKRQNQXJQ-NWDGAFQWSA-N 324.377 1.480 10 10 DDCE OC[C@H]1COC[C@H]1NCc1cccc(Br)c1O 1942672233 BNMXQSROHJKZHR-GXSJLCMTSA-N 302.168 1.252 10 10 DDCE CSCC[C@@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 129139666 NLNJQDHWLKWKIK-LLVKDONJSA-N 318.464 1.709 10 10 DDCE CN(Cc1c(O)cccc1Br)[C@H]1CCC(=O)NC1 1970978262 SVWIHBRJSOBQTM-VIFPVBQESA-N 313.195 1.865 10 10 DDCE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1ccc(N)cc1 1993284633 QBJDLADJLXEKLG-GXFFZTMASA-N 323.393 1.506 10 10 DDCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCC(C2OCCO2)CC1 2145836032 NHARHEZCBLJVTF-LBPRGKRZSA-N 319.405 1.681 10 10 DDCE CC(C)(C)NCc1cnc(Sc2nnc3nc[nH]n23)s1 2155334574 OFKKQXBUSYVANL-UHFFFAOYSA-N 309.424 1.948 10 10 DDCE C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@@H](C)C2)c(Cl)c1 707153891 ZEUDVIQUYYGFGJ-UWVGGRQHSA-N 302.827 1.983 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H](F)[C@@H]2CCOC2)cc1 2238295957 YXCFJBJGGRLEKS-YPMHNXCESA-N 302.371 1.063 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@@H]2[C@@H](O)CO)c(Br)c1 2258342099 MONXRLAYWNBFKK-WQHBLYJGSA-N 316.195 1.434 10 10 DDCE CCOC(=O)c1n[nH]c(=NCc2cnc(SC)s2)s1 2269120521 DLOOMPTVCCBDFQ-UHFFFAOYSA-N 316.433 1.927 10 10 DDCE Cc1ccc(CN(C)C(=O)CCON)c(O)c1Br 2327600179 RRMUWFAPZMKGGA-UHFFFAOYSA-N 317.183 1.702 10 10 DDCE CO[C@@H]1[C@@H](O)C[C@H]1NCc1ccc(C)c(Br)c1O 2327623897 MFEGKXKMVZOKJP-NRUUGDAUSA-N 316.195 1.701 10 10 DDCE CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1ccco1 100208373 DOINWVJQDJVNOH-JLHYYAGUSA-N 305.330 1.989 10 10 DDCE COc1ccc(O)c(CNC(=O)c2ccc(-n3cncn3)cc2)c1 114540684 XIMUZKHECBOHON-UHFFFAOYSA-N 324.340 1.912 10 10 DDCE COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccc(C(=O)OC)cc1 33314923 XNDVGPXHKRSOSK-UKTHLTGXSA-N 315.325 1.776 10 10 DDCE COCCN1[C@H](C)CN(Cc2cccc(OC)c2O)C[C@H]1C 93479120 LEMLKMCBVPJERY-ZIAGYGMSSA-N 308.422 1.942 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(OCC(F)(F)F)nc1 808494352 YQYUVVJPYJGGOB-UHFFFAOYSA-N 305.208 1.338 10 10 DDCE COC(=O)COc1c(C)cc(C(=O)OCC(=O)C(C)=O)cc1C 808525306 ZEIRQYUZYFYCSQ-UHFFFAOYSA-N 322.313 1.170 10 10 DDCE COc1cccc(CN[C@H]2CNCC3(CCOCC3)C2)c1O 903974094 LKBMCQYOXUQKAI-CQSZACIVSA-N 306.406 1.649 10 10 DDCE COc1cc(Cl)cc(CN2C[C@@H]3C[C@H]2C[S@]3=O)c1O 846101945 AACFIRSFGKGHOR-ZHYXMNDGSA-N 301.795 1.759 10 10 DDCE COc1ccc(N2CC[C@H](N3C(=O)[C@H]4CCCN4C3=O)C2)cc1 849357772 PUKYJBVRSDVORZ-DZGCQCFKSA-N 315.373 1.701 10 10 DDCE CN1CCN(c2ccc(CN[C@@H](CN)C(F)(F)F)cc2)CC1 848714117 GSLWOOMHLFSZLT-AWEZNQCLSA-N 316.371 1.418 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@H]1CCO[C@]2(CCOC2)C1 921763544 YKLNGCFMEIODAR-MEDUHNTESA-N 324.352 1.669 10 10 DDCE COC[C@@H](CCNC(=O)NCc1ccc(N(C)C)cc1C)OC 852449329 SKYUDSJFFNNFBM-MRXNPFEDSA-N 323.437 1.912 10 10 DDCE CCO[C@H](C(=O)NCc1cccc(OC)c1O)C1CCOCC1 866764272 RUDBDMGDUYJDLD-INIZCTEOSA-N 323.389 1.849 10 10 DDCE CCOCc1cc(CN[C@H](C)c2nnc(O)n2C)ccc1OC 895182103 VUUWJSAHHKVKST-LLVKDONJSA-N 320.393 1.917 10 10 DDCE CN1CCN(c2ccc(CN[C@@H]3CCC[C@H]3O)cc2F)CC1 1202691949 SBVZSBBKEWSWPT-NVXWUHKLSA-N 307.413 1.581 10 10 DDCE Cc1nc([C@@](C)(NC(=O)Cc2ccc(O)c(O)c2)C2CC2)no1 1159594614 NOTIEONQJCAHMI-INIZCTEOSA-N 317.345 1.773 10 10 DDCE CCO/C=C/C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 1302000823 PDYVNTWIORXNQB-KPKJPENVSA-N 320.389 1.903 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 1167293535 IDTWYUXSUQYBBU-UHFFFAOYSA-N 302.290 1.516 10 10 DDCE CCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@H]1CCCOC1 1329498410 ZLAHDYOBAZMJTF-ZDUSSCGKSA-N 318.373 1.262 10 10 DDCE C[C@@H](N(C)C(=O)C(=O)N1Cc2cccc(O)c2C1)C1(C)CC1 1332023975 XBNUNHYOAXOXJU-LLVKDONJSA-N 302.374 1.881 10 10 DDCE CC(=O)C(=O)[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 1919211395 MXDNZUZRVLYSTR-MRXNPFEDSA-N 305.330 1.308 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)[C@@H]2CCCN2C)cc1C 1265758799 KCCHLFZBTFKXSQ-HOCLYGCPSA-N 319.449 1.692 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cc2nn[nH]c2cc1F 1456237033 SEAVLHGXKOJPOM-UHFFFAOYSA-N 302.265 1.438 10 10 DDCE CCc1nn(C)c(Cl)c1C(=O)NCc1cc(O)ccc1O 1471661305 MQDXCSQTQMSJJV-UHFFFAOYSA-N 309.753 1.977 10 10 DDCE CN(C)c1ccc(CNCc2nnc(Br)n2C)cc1 2121512913 GGFQZYPBLKMZKX-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1 1556854677 COGGMOUFUKSRCS-ZDUSSCGKSA-N 319.365 1.036 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCNC1=O 1623549706 ITYHRDMJPPVQDO-MRXNPFEDSA-N 315.417 1.771 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C=O)n(C)n1 1633818476 JBAFVTBXSYNDKP-VIFPVBQESA-N 303.318 1.005 10 10 DDCE NC(=O)C12CCC(CC1)N2C(=O)/C=C/c1ccc(O)c(O)c1 1636421954 WFOMTSBUFCVOHB-DUXPYHPUSA-N 302.330 1.120 10 10 DDCE Cn1nnc(C(=O)NCc2ccc(O)cc2O)c1C(F)(F)F 1639444335 HTNVYDOSSGYKLK-UHFFFAOYSA-N 316.239 1.175 10 10 DDCE O=C1COc2cccc(NC(=O)c3cccc(O)c3O)c2N1 1650826403 CNROJTSADWMQLP-UHFFFAOYSA-N 300.270 1.681 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2ccon2)cc1C 1662175409 VNYSMIZYHNVHID-LBPRGKRZSA-N 303.362 1.900 10 10 DDCE COCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 169813344 PIOVWCZJTFPXLK-INIZCTEOSA-N 316.405 1.728 10 10 DDCE CN(c1ccc(CN)c(Br)c1)C1CS(=O)(=O)C1 1946845108 GOXWBCIWGPIYAQ-UHFFFAOYSA-N 319.224 1.141 10 10 DDCE CC(C)(C)OC(=O)N[C@@]1(c2cc(O)nc(O)c2)C[C@H]1C(=O)O 1952975831 SWQINOXNEWWLBL-RMLUDKJBSA-N 310.306 1.317 10 10 DDCE C[C@@H]1[C@H](CN(C)S(=O)(=O)Cc2ccc(N)cc2)C1(F)F 2153631126 AMAXFJLFFYLCNU-SKDRFNHKSA-N 304.362 1.932 10 10 DDCE O=C1CC[C@H](CNCc2c(O)cccc2Br)CN1 2041483426 RQCDGANORCKWOD-SECBINFHSA-N 313.195 1.771 10 10 DDCE CC(=O)NCCN(C)c1ccc(CN)c(Br)c1 308143907 MUYXOEYSZMFADX-UHFFFAOYSA-N 300.200 1.480 10 10 DDCE C[C@@H]1C[C@@](NCCN=[N+]=[N-])(C(N)=O)CN1Cc1ccccc1 309969026 HRXFWIHCQKEOHB-DOMZBBRYSA-N 302.382 1.405 10 10 DDCE CCNCc1ccc(OC)c(C[S@@](=O)CC[S@](C)=O)c1 319389375 AEYPGIBFYNLQND-PMACEKPBSA-N 317.476 1.432 10 10 DDCE O=C(O)CN(CC(=O)O)Cc1c(O)cccc1Br 706631305 STUIOAYHFMHFTB-UHFFFAOYSA-N 318.123 1.126 10 10 DDCE Oc1c(Br)cccc1CN[C@H]1CCOC[C@@H]1O 706777611 HGGUPPICPAGPSN-QWRGUYRKSA-N 302.168 1.394 10 10 DDCE C[C@@H](O)[C@H](O)CNCc1cc(Cl)cc(Br)c1O 708055986 HYBYURCRYUSBPC-LHLIQPBNSA-N 324.602 1.639 10 10 DDCE O=C1NOC[C@@H]1NCc1cc(Cl)cc(Br)c1O 708138400 MQDKQRIEZYHMIX-QMMMGPOBSA-N 321.558 1.328 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCCOC3CCCCC3)c2n1 2063540926 DIKMCEVUHLEENV-UHFFFAOYSA-N 318.377 1.822 10 10 DDCE CC1(C)CO[C@@H](CO)CN1c1cc(Cl)c(CN)cc1F 2177390074 WQTCLTKCSXFECI-SNVBAGLBSA-N 302.777 1.914 10 10 DDCE CC1(C)C[C@H](O)[C@H](O)CN1c1cc(Cl)c(CN)cc1F 2188629527 AYKVANINMPXHSE-QWHCGFSZSA-N 302.777 1.648 10 10 DDCE NC(=O)[C@H]1CCC[C@@H]1NCc1c(O)cccc1Br 2053777133 LLYMFZDHKYPOCA-KWQFWETISA-N 313.195 1.898 10 10 DDCE C[C@@H](NS(=O)(=O)c1ccc(CN)s1)c1ccccc1O 2192631992 NTUYHPZXLLIPLN-SECBINFHSA-N 312.416 1.952 10 10 DDCE CNCc1ccc(N2CC(n3cnnc3)C2)cc1Br 2113832321 NQUGSEIWVOFPSQ-UHFFFAOYSA-N 322.210 1.821 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2CCC[C@H](O)[C@@H]2O)c1O 2232557080 SHAWIPOSLCEXMF-UHIISALHSA-N 301.770 1.418 10 10 DDCE COC(=O)c1cnc(Sc2nnnn2CC(F)F)s1 2225658090 IMLCMZSKVSLIDK-UHFFFAOYSA-N 307.307 1.333 10 10 DDCE COCCNC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1C 2294474359 IATGYARQFUJRQM-UHFFFAOYSA-N 303.362 1.928 10 10 DDCE C[C@@H](Oc1cccc(C=C2SC(=S)N(N)C2=O)c1)C(=O)O 2294874669 NDWGGWLPHWEERQ-SSDOTTSWSA-N 324.383 1.613 10 10 DDCE CN1C(=O)C(=Cc2ccc(N3CCCC3)o2)C(=O)NC1=S 2296928139 SOQRMSCWRSXQKC-UHFFFAOYSA-N 305.359 1.136 10 10 DDCE CCC[C@@H]1SC[C@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 111422892 GVVKQTCJALVNRT-KCJUWKMLSA-N 312.347 1.261 10 10 DDCE C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C(N)=O)O1 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309.322 1.197 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@@H]2C[C@@]2(CO)C1 782613397 IAEGIELEXAMHFP-YJBOKZPZSA-N 317.433 1.025 10 10 DDCE COc1ccc2c(n1)N(C)CCN2C(=O)/C=C/c1cccnc1 1133967125 HNFUTRPRPZCHGQ-VMPITWQZSA-N 310.357 1.981 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1CN(CC(F)F)C1 791304052 BGMKVGYOVQTHOY-UHFFFAOYSA-N 311.376 1.908 10 10 DDCE Cc1c(CN(C)Cc2cc3c(cc2O)OC[C@H]3O)cnn1C 790420688 JJIOOIHQCVSSJY-OAHLLOKOSA-N 303.362 1.492 10 10 DDCE COC(=O)Cc1occ(C)c1C(=O)NCc1c(O)cccc1O 1304053274 GJKLSAGOXOYYCC-UHFFFAOYSA-N 319.313 1.645 10 10 DDCE COc1cccc([C@@H]2NC(=S)NC(C(=O)O)=C2Cl)c1O 76260363 AFNJDPGGGMVVQW-QMMMGPOBSA-N 314.750 1.455 10 10 DDCE O=C1CN(Cc2cc(Cl)cc(Cl)c2O)[C@@H](C(=O)O)CN1 1963615506 ZZRVZRLKVRAYBU-SECBINFHSA-N 319.144 1.084 10 10 DDCE CN(C)C(=O)OCCNCc1cccc(Br)c1O 689072690 BBYYBWATVXYAPR-UHFFFAOYSA-N 317.183 1.943 10 10 DDCE O=[N+]([O-])c1cc2c(cc1N1CC[C@@H](C3OCCO3)C1)OCCO2 718992626 HANBKMCTDFKHPO-SNVBAGLBSA-N 322.317 1.565 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CNCC(C)C)C2)cc1 1333629035 GLJFGNXXKPYYPZ-CQSZACIVSA-N 305.422 1.636 10 10 DDCE COCCN[C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1331650585 VVYVYMRQGNBQNQ-NSHDSACASA-N 321.381 1.546 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NC1[C@H]2CC3C[C@H]1CN(C3)C2 1347704165 JWIFWOFNVPFNGX-BJVMZAGESA-N 314.385 1.567 10 10 DDCE CNC(=O)CC[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 1449099584 DYDZEFLSBPSZRI-CYBMUJFWSA-N 320.389 1.548 10 10 DDCE Cc1nonc1CNC(=O)c1cc2cc(O)c(O)cc2s1 1455411775 PBKBKIQYQNBUIP-UHFFFAOYSA-N 305.315 1.934 10 10 DDCE O=C(CCc1nc2cccnc2[nH]1)NCc1cccc(O)c1O 1455321165 XHCXRTDGAVHFNF-UHFFFAOYSA-N 312.329 1.618 10 10 DDCE CCN1CC[C@@H]1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 1545608439 TWGIJGRMSDVNKJ-OAHLLOKOSA-N 321.396 1.577 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1scc2c1OCCO2 1626848031 IENNDDRIWWRWNJ-UHFFFAOYSA-N 307.327 1.861 10 10 DDCE CSc1ncc(C(=O)NCc2c(O)cccc2F)c(O)n1 1558454790 MGVISTNBRIQKSU-UHFFFAOYSA-N 309.322 1.679 10 10 DDCE CCOC(=O)c1cc(CNC(=O)NCc2ccccc2O)on1 1637838559 RRWGXBZUECTMOB-UHFFFAOYSA-N 319.317 1.556 10 10 DDCE C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nccc(N)n1 1569596592 FGJVXYYVVOMXFZ-LVCFMKKZSA-N 300.318 1.361 10 10 DDCE CCN(CCC(=O)NC)C(=O)c1ccc(N=NC(N)=O)cc1 1646069821 AVCRIDJMFDGOSL-UHFFFAOYSA-N 305.338 1.447 10 10 DDCE CN(CC(=O)NCc1ccc(N(C)C)cc1)Cc1ccn(C)n1 1655859273 UOZCOWSWGJUHOF-UHFFFAOYSA-N 315.421 1.234 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@@H](Cn3cccn3)C1)CCC2 152824079 LAPPTCRDTRIOCA-QGZVFWFLSA-N 313.401 1.978 10 10 DDCE CN1C(=O)COc2cc(NN=NCCc3cnc[nH]3)ccc21 1860493748 AZDGMOUADGYNJG-UHFFFAOYSA-N 300.322 1.787 10 10 DDCE Cc1cc(=O)c(O[C@@H](C)C(=O)O)cn1Cc1ccc(N)cc1 1857915331 RGFBRIYBQQHBPY-NSHDSACASA-N 302.330 1.639 10 10 DDCE COCCOCCSC[C@@H](O)COc1ccc(N)cc1 2145906187 VCJPRUQXIIBUJL-ZDUSSCGKSA-N 301.408 1.405 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)C(=O)CCN 1951659538 IKTHEACAKCBLGG-LLVKDONJSA-N 324.377 1.452 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@@H]2CNC(=O)CN2)c1 1952165292 QIBHHOLWEPGHSC-NSHDSACASA-N 307.350 1.500 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](F)[C@H](N)Cc1ccc(O)c(O)c1 1952903059 ZWURNQKYUXDYFQ-GHMZBOCLSA-N 314.357 1.830 10 10 DDCE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)[C@H](C)c1c(O)cccc1O 2170637664 YEANAHSIELPKGI-HBNTYKKESA-N 301.408 1.912 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@H]([C@H]4CCOC4)C3)c2n1 2063548974 RLWUNNBPCJYRBZ-NEPJUHHUSA-N 316.361 1.242 10 10 DDCE COc1ccc([C@@H](C2CC2)n2nc(C)c(C(N)=O)c2N)c(O)c1 2079959266 ZXDQJFXJXRDAIL-CQSZACIVSA-N 316.361 1.586 10 10 DDCE Cc1[nH]c(=N)sc1S(=O)(=O)N[C@@H](C)c1ccccc1O 2192631226 GAYGCWJZBZYRRW-ZETCQYMHSA-N 313.404 1.609 10 10 DDCE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188920414 VIWSWGYURMZNEE-KOLCDFICSA-N 323.345 1.417 10 10 DDCE O=S1(=O)CC[C@H]2CN(c3ccc(CO)c(Cl)c3)C[C@@H]21 2088785627 ZVQQLZKTEVCTQJ-ZANVPECISA-N 301.795 1.456 10 10 DDCE CCOCCOCCOCC[S@@](=O)CCCCN=[N+]=[N-] 2240463190 VTSYKMVMSVLYNC-FQEVSTJZSA-N 307.416 1.895 10 10 DDCE CSc1ncc(Cn2c(C)nnc2SCC(=O)O)s1 2269121223 LZRXKWUAXTXCLA-UHFFFAOYSA-N 316.433 1.990 10 10 DDCE CN(Cc1nncs1)c1cc2c(cc1Cl)[C@@H](O)C(=O)N2 2281334946 YKRMRVWAMXVTCE-LLVKDONJSA-N 310.766 1.813 10 10 DDCE C[C@@H](N)c1ccc(N2CC(O)(C(F)(F)CO)C2)c(Cl)c1 2288539038 DNWAUCLIGFZBMK-MRVPVSSYSA-N 306.740 1.538 10 10 DDCE CCN(CC(N)=O)c1ccc(C=CC(=O)OC)cc1[N+](=O)[O-] 2311364233 DTVDORPBUNHAQR-UHFFFAOYSA-N 307.306 1.093 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@H]([S@@](=O)Cc2ccc(N)cc2)C1 2342098783 ZEKBACMHPMLEMI-JCGVRSQUSA-N 301.433 1.483 10 10 DDCE CS[C@H]1CC[C@@H]1N(C)S(=O)(=O)Cc1ccc(N)cc1 2353330485 RXFYVCHXVXIORI-STQMWFEESA-N 300.449 1.924 10 10 DDCE C[C@@H](Nc1cnn(CC(=O)NCCO)c1)c1ccc(F)cc1O 186508135 GLOKHNFMGGLNDP-SNVBAGLBSA-N 322.340 1.009 10 10 DDCE Cc1cc(NS(=O)(=O)N2CCC(O)CC2)cc(C)c1O 2366472910 WYCKRTACIWDHLZ-UHFFFAOYSA-N 300.380 1.122 10 10 DDCE C[C@@](N)(CCO)c1ccc(I)cc1O 238432292 QQGUBICTDQWGPA-SNVBAGLBSA-N 307.131 1.553 10 10 DDCE CC[C@H](NC[C@@H](O)CO)c1cc(Br)ccc1O 90282495 AXHPUNQBAXHEIL-KOLCDFICSA-N 304.184 1.549 10 10 DDCE CC(=O)c1cc(F)cc(CN2CC[C@@]3(CNC(=O)C3)C2)c1O 278971572 XXGXTBFDZBOYPX-MRXNPFEDSA-N 306.337 1.446 10 10 DDCE C[C@H](NC(=O)C1(C(=O)N(C)C)CC1)c1ccc(N(C)C)cc1 807274642 XUNLEQPUZPLWJH-LBPRGKRZSA-N 303.406 1.798 10 10 DDCE CN(c1ccc(N)cc1)S(=O)(=O)c1ccsc1C(=O)O 2162600838 TZOZQWJIVAZPCG-UHFFFAOYSA-N 312.372 1.854 10 10 DDCE CO[C@@H](C)CCS(=O)(=O)Nc1ccc(O)cc1C(=O)O 2165546706 YRRZJELZZPYUQZ-QMMMGPOBSA-N 303.336 1.257 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](C)Cc1cnc2ccccc2n1 815465454 FCROCJNLURHQSR-JTQLQIEISA-N 300.314 1.510 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](CO)c1cccnc1 813717570 MZQZTYJSTKQRFW-SDQPKGBYSA-N 314.341 1.398 10 10 DDCE Nc1ccc(CC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1 829376241 NBCYXPWNYUPQLX-HNNXBMFYSA-N 315.417 1.672 10 10 DDCE CO[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)[C@@H]1CCOC1 830560012 ZZTZOBFCPPWUMO-CXAGYDPISA-N 319.401 1.939 10 10 DDCE CN1C[C@]2(C)CN(C(=O)/C=C\c3ccc(O)c(O)c3)C[C@@]2(C)C1 913280264 BNWJSUKCGJKIPB-DIWYCERUSA-N 316.401 1.911 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)OC[C@@H]1CN(C2CC2)C(=O)O1 845135207 AQDIJPWYECSBIQ-QSLRECBCSA-N 319.313 1.637 10 10 DDCE COC(=O)[C@@H](NCc1ccc(OC)c(C)c1)c1ccnn1C 843429393 CLMFDAOEVJGUKV-HNNXBMFYSA-N 303.362 1.741 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CC3(N)CCC3)C2)cc1 851639702 KAJASVBXTIRKHX-ZDUSSCGKSA-N 303.406 1.662 10 10 DDCE O=C(NCC[S@](=O)CC(F)(F)F)c1cc(O)cs1 855265628 AZOLBKJFCGVBFI-SFHVURJKSA-N 301.311 1.495 10 10 DDCE CO[C@H]1C[C@@H](CNCc2ccc(N3CCN(C)CC3)cc2)C1 858331119 PUEBOIXFPDVVRE-MAEOIBBWSA-N 303.450 1.953 10 10 DDCE Nc1ccc(NC(=O)C(=O)N[C@H](C2CC2)[C@H]2CCCOC2)cc1 927919624 GRCVNRYONHFGKP-SWLSCSKDSA-N 317.389 1.529 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CC[C@]3(CCCOC3)C2)cc1 850828673 RGOWARNBFPMRNU-MRXNPFEDSA-N 303.362 1.236 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC/C=C/CN)C2)cc1 851668467 SZADXDJYYSDHMM-YWVDXFKGSA-N 304.394 1.088 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CC3OCCCO3)C2)cc1 855225495 JPLOMOYWSWGBTL-ZDUSSCGKSA-N 320.389 1.543 10 10 DDCE Oc1nc(CNCc2ccc3c(c2)CCO3)nc2c1COCC2 1118927653 ANRWIPXBGCLVFR-UHFFFAOYSA-N 313.357 1.480 10 10 DDCE COC[C@](C)(CO)NCc1cc(Br)cc(C)c1O 777483436 PFRQNMGKTDWNKS-ZDUSSCGKSA-N 318.211 1.950 10 10 DDCE Cc1cc(Br)c(O)c(CN[C@@H]2CC(=O)N(C)C2)c1 781630803 LEPOPVKFHSKJPK-SNVBAGLBSA-N 313.195 1.783 10 10 DDCE COC(=O)[C@@]1(OC)CCN(Cc2cc(F)cc(F)c2O)C1 895392059 KMWRDBIAQQRKKA-CQSZACIVSA-N 301.289 1.434 10 10 DDCE C[C@H]1CO[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 895495189 OBZVRJFCRZZJEV-PBHICJAKSA-N 318.417 1.907 10 10 DDCE COC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cn1 1137788250 HHPMKOPXCSVOEG-UHFFFAOYSA-N 302.286 1.461 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Nc3ccnnc3)C2)cc1 1327863585 PRBSYIGXIQYPFM-ZDUSSCGKSA-N 313.361 1.886 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)n1C 1455352764 JJOBSCJFFWLMGD-UHFFFAOYSA-N 304.302 1.153 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cc2n(n1)CCC[C@@H]2O 1465953435 GOHUDYBSFPYQGT-LBPRGKRZSA-N 303.318 1.052 10 10 DDCE Nc1ccc(C(=O)NCc2ccc(O)cc2O)cc1[N+](=O)[O-] 1469154092 ZUUDZRGSQAOQEE-UHFFFAOYSA-N 303.274 1.518 10 10 DDCE NC(=O)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 1618253799 DPCAMXXMZVMOTI-UHFFFAOYSA-N 320.370 1.650 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)CN(C)[C@@H]1CCC[C@H]1O 1622319445 KLHWPVLBRJRIOV-NVXWUHKLSA-N 320.433 1.976 10 10 DDCE CCC(=O)N(C)C[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1718519874 LICBIGGTRBUGJC-SNVBAGLBSA-N 309.366 1.086 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)C2=CCOCC2)cc1C 1713304610 JXXBVYBIKMHNHQ-CQSZACIVSA-N 318.417 1.945 10 10 DDCE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)CCN(C)C)cc1C 1717435004 ATEAAGUZUHEQSO-GJZGRUSLSA-N 321.465 1.938 10 10 DDCE CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCN2CCO[C@H]1C2 1556735191 CJGLQTAPLQIAMB-ILVPNPQQSA-N 318.373 1.043 10 10 DDCE COc1ccc(CNC(=O)c2cnc(C3CC3)nc2O)c(O)c1 1633926614 JGZIPWFFALOEAN-UHFFFAOYSA-N 315.329 1.704 10 10 DDCE O=C(Cn1cnc(-c2ccccc2)n1)NCc1cc(O)ccc1O 1637126399 XJMWJVSSCMDTTA-UHFFFAOYSA-N 324.340 1.673 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2c[nH]nc2C)cc1C 1731611078 NQXPHLSMVMKBMO-GFCCVEGCSA-N 316.405 1.943 10 10 DDCE O=C1NCC[C@@]1(C(=O)NCc1cc(O)ccc1O)C1CCCC1 1593881026 CHFWTKKNBPGIEJ-QGZVFWFLSA-N 318.373 1.411 10 10 DDCE CCOC(=O)NC1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169892826 SVXXISREGWTOAE-UHFFFAOYSA-N 324.333 1.154 10 10 DDCE COc1nscc1S(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 1912152193 PSQYKVWOEODRBB-UHFFFAOYSA-N 317.396 1.863 10 10 DDCE CCOC(=O)CS(=O)(=O)N1CCCC[C@H](CN=[N+]=[N-])C1 1912186448 DOUCENVPGCLHLO-SNVBAGLBSA-N 304.372 1.292 10 10 DDCE CC(=O)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1951834417 SVAIHEHTXXMIBN-NSHDSACASA-N 323.345 1.692 10 10 DDCE COC(=O)[C@@H]1CCN[C@H]1c1c(O)cccc1Br 1952880259 FOJMLEVQVDPGFO-RDDDGLTNSA-N 300.152 1.978 10 10 DDCE C[C@@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)CN1Cc1ccccc1 309969028 HRXFWIHCQKEOHB-IUODEOHRSA-N 302.382 1.405 10 10 DDCE COc1cc(N2CCCC3(C2)OCCO3)c([N+](=O)[O-])cc1OC 322419922 YWNXLBRYTQLFBO-UHFFFAOYSA-N 324.333 1.955 10 10 DDCE Nc1ccc(CC(=O)NCc2cc(Br)no2)cc1 718883201 CYCOHOLSAAQMOJ-UHFFFAOYSA-N 310.151 1.878 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CC(OC(F)F)C3)c(Cl)cc21 398912840 WRMIWSUPSAJXKC-JTQLQIEISA-N 303.696 1.720 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O 2047622488 AKQAZBBSQMHAPB-DQFXDBGQSA-N 313.195 1.573 10 10 DDCE O=C1N[C@@H]2CN(Cc3cccc(Br)c3O)C[C@@H]2O1 2056808857 QPQQVHMKKXQSHI-ZJUUUORDSA-N 313.151 1.447 10 10 DDCE Cc1nn(C)c(Br)c1[C@@H](NCCN=[N+]=[N-])C(=O)O 2076818241 PLUCVECEWNSPMK-SSDOTTSWSA-N 317.147 1.517 10 10 DDCE CC1(C)C[C@H](NCc2ccc(F)cc2O)CCS1(=O)=O 2204743406 AGCDTWDRNGEXLG-GFCCVEGCSA-N 301.383 1.977 10 10 DDCE COCC[S@@](=O)CCN[C@H](C)c1ccc(OC)cc1O 2207028117 VELGKGQRQCBPFI-GIPWTMENSA-N 301.408 1.447 10 10 DDCE CC[C@H](NCc1c(Br)ccc(OC)c1O)C(N)=O 2220446705 CLGYWAMUGAZSHE-VIFPVBQESA-N 317.183 1.517 10 10 DDCE CSc1ncc(CNC(=O)[C@@H](N)Cc2nccs2)s1 2269258861 DPDUVDXJDAQZPP-QMMMGPOBSA-N 314.461 1.508 10 10 DDCE COc1cc(OC)c(N(C)CCN(C)CCO)cc1Cl 2285866356 CTRMYKNHTMWHAR-UHFFFAOYSA-N 302.802 1.718 10 10 DDCE O=C(/C=C/c1cnccn1)N1CCN2CCOc3cccc1c32 492385582 SAPCZGBTFSDBOR-SNAWJCMRSA-N 308.341 1.735 10 10 DDCE Cc1nc(Br)c([C@H](NN)c2ccccc2O)n1C 2315650954 SBAXNXGJUMAYMH-SNVBAGLBSA-N 311.183 1.749 10 10 DDCE C[C@H]1C[C@@](Sc2nccs2)(C(=O)O)CCS1(=O)=O 2326904600 SZVDYQRGKJMDFT-OIBJUYFYSA-N 307.418 1.656 10 10 DDCE Cc1ccc(CN(C)C(=O)[C@H]2C[C@@H]2N)c(O)c1Br 2327600551 VKSSSPCIMAXDIX-UWVGGRQHSA-N 313.195 1.769 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCN(C)[C@H]2C)s1 2350654715 FTVFPUZBGHWELU-UFBFGSQYSA-N 301.437 1.502 10 10 DDCE CC[C@@H](O)CN1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 175682903 BYZYWCFWTQDTJL-OAHLLOKOSA-N 324.396 1.622 10 10 DDCE COC(=O)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 171375156 YDBINKAZJASLQB-HUUCEWRRSA-N 302.374 1.712 10 10 DDCE Nc1ccc(CCNC(=O)c2ccc(-n3cnnn3)cc2)cc1 171531459 OZOJPZZHWBZDOV-UHFFFAOYSA-N 308.345 1.217 10 10 DDCE COc1ccc(O)c([C@H](C)NCC2CCN(CCO)CC2)c1 185380390 PZWMJGQVQJHVND-ZDUSSCGKSA-N 308.422 1.756 10 10 DDCE COc1ccc(N(C)C[C@H](O)COC[C@H]2CCCO2)cc1F 246590586 PPOUUXMZQBXECX-UONOGXRCSA-N 313.369 1.827 10 10 DDCE CC1(C)CN(C(=O)c2cccc(O)c2O)C[C@]2(CCOC2)O1 279924348 BUGCQWQMVGTKRD-INIZCTEOSA-N 307.346 1.508 10 10 DDCE Cn1ncc(CNC(=O)NCc2ccc(N3CCCC3)cc2)n1 804967473 UJUJJURWUYPBJX-UHFFFAOYSA-N 314.393 1.415 10 10 DDCE COc1ccc(O)c(CNc2ncnc(-n3cccn3)c2N)c1 811804850 DSFCILKQFQNUIF-UHFFFAOYSA-N 312.333 1.571 10 10 DDCE C[C@@H]1CN(CCO)CCN1Cc1c(O)ccc(Cl)c1F 825336989 BVSTXLQKIXOUJP-SNVBAGLBSA-N 302.777 1.683 10 10 DDCE CN1CCN(c2ccc(CN3C[C@@H]4CCC[C@H](C3)N4)cc2)CC1 843105420 DOMLKZUGZAIVBN-HDICACEKSA-N 314.477 1.765 10 10 DDCE C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)c1ccc(N(C)C)cc1 845126167 XFOPBCBEHAMNNF-DERQMTSXSA-N 321.446 1.728 10 10 DDCE CN(C[C@H]1CCCN(C(=O)CN)C1)c1ccc2c(c1)OCO2 841011053 BINDTPHIXSFIKQ-GFCCVEGCSA-N 305.378 1.049 10 10 DDCE CC[C@](C)(NCc1ccc(Br)cc1O)C(N)=O 691427609 ORLOHEYGETYAMF-LBPRGKRZSA-N 301.184 1.898 10 10 DDCE N[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC[C@H]1F 853247770 AIYBYWFAFFYGSH-NXEZZACHSA-N 303.721 1.825 10 10 DDCE CN(C)c1cc(F)c(CNCC[C@]2(O)CCOC2)cc1F 858184288 KEDCMQXJPXASMX-HNNXBMFYSA-N 300.349 1.662 10 10 DDCE COCCCOCCC(=O)NCc1ccc2cccnc2c1O 862024785 GQQOJEGCTHWWNQ-UHFFFAOYSA-N 318.373 2.000 10 10 DDCE C[C@H](NCC(C)(C)CS(N)(=O)=O)c1ccc(F)cc1O 866571220 AXXYJHJGQUZFCN-VIFPVBQESA-N 304.387 1.497 10 10 DDCE Cc1cc(C)c2c(N)c(C(=O)O[C@@H]3CCCNC3=O)sc2n1 767271406 BDUCPLJFRKBHFL-SECBINFHSA-N 319.386 1.931 10 10 DDCE O=c1ccn(Cc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 877889703 OBVZXDOQLKRKGG-UHFFFAOYSA-N 315.329 1.641 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccc(F)cn2)c1 1128915329 REPSMYXRROHCSJ-UTCJRWHESA-N 314.320 1.652 10 10 DDCE O=S(=O)(NCc1cc(Br)ccc1O)N1CCC1 796191685 OPSMWXDIIKBCOF-UHFFFAOYSA-N 321.196 1.195 10 10 DDCE CN1Cc2c(NC(=O)Cc3ccc(O)c(O)c3)cccc2C1=O 1142103814 VNRALYXCMLOLCW-UHFFFAOYSA-N 312.325 1.865 10 10 DDCE CN(C)C(=O)c1c[nH]nc1NC(=O)/C=C/c1ccc(O)c(O)c1 1154577151 PTZHYCJWRSFAKH-GQCTYLIASA-N 316.317 1.175 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@H]2CCC3(C2)OCCO3)c1 1225108018 QJIQDDGPJMISJA-ZDUSSCGKSA-N 306.362 1.795 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@]1(C)C[C@@H]2C[C@@H]2C1 1329813876 ITJBLGLFFBKLCQ-ZSBFGKGUSA-N 316.401 1.903 10 10 DDCE C[C@@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NCCCO 1507159670 UBGIXNVICKVNAX-NSHDSACASA-N 321.381 1.282 10 10 DDCE C[C@@H](NC(=O)C1CCCCC1)C(=O)NCc1cc(O)ccc1O 1455356826 KQDBNMKPOGBCJF-LLVKDONJSA-N 320.389 1.799 10 10 DDCE CC1(CS(C)(=O)=O)CN(c2ccc(CO)cc2Cl)C1 2116569042 NERVEZYOFBRONW-UHFFFAOYSA-N 303.811 1.703 10 10 DDCE COc1cccc(OC)c1CC(=O)NCc1cc(O)ccc1O 1455357908 XCJQYQYWHRQFNG-UHFFFAOYSA-N 317.341 1.974 10 10 DDCE CN(C(=O)/C=C/c1cn(C)cn1)c1ccc(S(C)(=O)=O)cc1 1526866473 WOOZWJXEEYNTFX-RUDMXATFSA-N 319.386 1.500 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccc(C)nn2)c1 1532302211 FPFPCDVARWLZLK-ALCCZGGFSA-N 311.345 1.216 10 10 DDCE COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1cc(O)ccc1O 1471662118 OUMATTOXVKHIOT-QWHCGFSZSA-N 307.346 1.693 10 10 DDCE O=C1C[C@H](Oc2cccc(NC(=O)c3cc(O)cs3)c2)N1 1557003148 OKZPLPHIUJHNJV-ZDUSSCGKSA-N 304.327 1.931 10 10 DDCE CCOC(=O)c1ccc(C(=O)NCc2cccc(O)c2O)nc1 1633515876 UOBDRSXZZSFVPX-UHFFFAOYSA-N 316.313 1.600 10 10 DDCE Cc1nc(O)nc(O)c1CCC(=O)N[C@@H](C)c1ccccc1O 1632250249 NSTRROLBQUOBKP-VIFPVBQESA-N 317.345 1.712 10 10 DDCE C[C@H](N)c1ccc2c(c1)CCN2CC(=O)NCC(F)(F)F 162120758 JILGTNMAKDNZHJ-VIFPVBQESA-N 301.312 1.747 10 10 DDCE CN1C[C@H](c2c(N)cccc2O)N(C(=O)OC(C)(C)C)CC1=O 1953047163 IUBIHBATOIVWJI-LLVKDONJSA-N 321.377 1.725 10 10 DDCE Nc1ccc(CNC(=O)c2nnc(Br)s2)cc1 1995663342 TWJFXHARCFXZJI-UHFFFAOYSA-N 313.180 1.813 10 10 DDCE C[C@@H](NCCNS(=O)(=O)C(F)(F)F)c1ccccc1O 2159524115 DXIFKHXJWZAWSS-MRVPVSSYSA-N 312.313 1.482 10 10 DDCE Cn1cc(S(=O)(=O)Nc2ccc(O)cc2Cl)cc1CO 2157765920 DXNOLVAXZKSLFV-UHFFFAOYSA-N 316.766 1.677 10 10 DDCE C[C@@H](CNCc1c(O)cccc1Br)c1nn[nH]n1 706883733 XTBZNKJQBCCGBU-ZETCQYMHSA-N 312.171 1.561 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C=Cc1ccnn1C 2053639665 MWDJMLDQHPSWRX-LLVKDONJSA-N 301.346 1.592 10 10 DDCE C[C@]1(CO)C[C@@H](O)CN1c1ccc(CN)c(Br)c1 698197297 JAYCOSRHTLPQSW-DGCLKSJQSA-N 315.211 1.230 10 10 DDCE CCS(=O)(=O)[C@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2179892045 CMUDJMATZCCJLG-JTQLQIEISA-N 320.817 1.951 10 10 DDCE CCCS(=O)(=O)CCN(C)Cc1ccc(OC)cc1O 2170547197 OJFGVTQCHDCVJV-UHFFFAOYSA-N 301.408 1.657 10 10 DDCE CSCCN1CCN(c2c(F)cc(CO)cc2F)CC1 2171547015 IIDUERHTUYIFRD-UHFFFAOYSA-N 302.390 1.942 10 10 DDCE O=S1(=O)C[C@@H]2[C@@H](CCN2c2ccc(CO)c(Cl)c2)C1 2094928210 UOOZJRVLDAYMCV-GXFFZTMASA-N 301.795 1.456 10 10 DDCE COc1ccc(N2CCC(NC(=O)C(F)(F)F)CC2)c(N)c1 2244250421 QBGQVVKCMBZFLU-UHFFFAOYSA-N 317.311 1.925 10 10 DDCE CS(=O)(=O)N[C@H]1CCN(Cc2c(O)ccc3ccccc23)C1 116869230 JXLOHLAPBMYEJH-ZDUSSCGKSA-N 320.414 1.669 10 10 DDCE CN(CCc1ccccn1)S(=O)(=O)Cc1ccc(N)cc1 21521121 MKOHEEIFEUTKRN-UHFFFAOYSA-N 305.403 1.668 10 10 DDCE C[C@@H](N)c1ccc(N(C)CCOCCO)cc1Br 302461937 WKZJJWULXFSNHM-SNVBAGLBSA-N 317.227 1.914 10 10 DDCE CO[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@H]1C 189346001 WFPNUBIQICWVQL-PBHICJAKSA-N 319.449 1.726 10 10 DDCE Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cccc(O)c1O 188201664 NSXMCELTCFXZAV-UHFFFAOYSA-N 304.277 1.897 10 10 DDCE COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc(C)c(O)c1O 276114701 ALFTVZLJOVZJID-MDZLAQPJSA-N 319.357 1.820 10 10 DDCE Cc1cc(Cl)cc(CN2CCN(C(=O)[C@H](C)O)CC2)c1O 271870997 SESLRWQPONGGKU-NSHDSACASA-N 312.797 1.379 10 10 DDCE Cc1ccc(C(=O)NC[C@H](CO)c2cccnc2)c(O)c1O 813719693 PTNRDGBFWUJSDY-GFCCVEGCSA-N 302.330 1.307 10 10 DDCE CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2NCCCC2(C)C)cc1 841846202 KVNPZIIEHQIABF-HOTGVXAUSA-N 318.465 1.647 10 10 DDCE C[C@@H](C(=O)N(CC(=O)O)Cc1ccccc1O)c1ccnn1C 911488713 NCRZCWZXMCLZPI-LLVKDONJSA-N 317.345 1.343 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N(C)C[C@H](C)OC)C2)cc1 852448973 OVPUPJNHJOZRMX-UONOGXRCSA-N 321.421 1.950 10 10 DDCE CCC(=O)N1CCC[C@@H](C(=O)NCc2c(O)cccc2F)C1 928712750 YWGQLSUHWVULMA-LLVKDONJSA-N 308.353 1.796 10 10 DDCE COc1ccc(N2CC[C@@H](N=c3cc[nH]cc3C(N)=O)C2)cc1 853759058 OJQKFCHKLJJLEN-GFCCVEGCSA-N 312.373 1.302 10 10 DDCE NC1(CNCc2ccc(N3CCOCC3)c(F)c2)CCOCC1 863481880 NQORRJNDKGBBHC-UHFFFAOYSA-N 323.412 1.260 10 10 DDCE CS(=O)(=O)CCCC(=O)NCc1ccc2cccnc2c1O 862028246 VKUWHFLZGMKDAM-UHFFFAOYSA-N 322.386 1.381 10 10 DDCE CCn1cnc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)c1 766047479 JXPDGXOEWQYWBR-UHFFFAOYSA-N 309.347 1.612 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@@H](O)c2cnc[nH]2)cc1 864926066 AEHBCMLBVOBNLN-HNNXBMFYSA-N 302.378 1.606 10 10 DDCE CCOc1ccc(CN2CCN3C(=O)OCC[C@@H]3C2)c(O)c1 770392276 OONFFNGDVUOZMB-CYBMUJFWSA-N 306.362 1.817 10 10 DDCE Cc1nc(F)ccc1/C=C1/SC(=S)N(CC(=O)O)C1=O 779797260 CEJUTZLJHSILIY-XBXARRHUSA-N 312.347 1.815 10 10 DDCE CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 778916480 IPLBHCDWQWEBPJ-LBPRGKRZSA-N 306.362 1.361 10 10 DDCE CN(C)c1ccc(CNC(=O)c2ccc3oc(O)nc3n2)cc1 1135825095 FLJRZJNWJILFCV-UHFFFAOYSA-N 312.329 1.924 10 10 DDCE COc1ccc(CNC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c(O)c1 793010865 OBSHTRUFZRYMDD-SNVBAGLBSA-N 318.377 1.863 10 10 DDCE COC(=O)C1CCN(c2ccc(OC)c3c2CNCC3)CC1 82792818 NURSCQXKTDWSGP-UHFFFAOYSA-N 304.390 1.730 10 10 DDCE C[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N=[N+]=[N-])C1 1888177389 JAVNAIMUNZNDQC-VXNVDRBHSA-N 301.322 1.759 10 10 DDCE C[C@@H](O)c1ccc(N(C)[C@@H]2COC[C@H]2O)c(Br)c1 708618412 LTIRRJUQHXLDHU-BZHVJNSISA-N 316.195 1.698 10 10 DDCE C[C@H](O)c1ccc(N(C)CC(C)(C)S(C)(=O)=O)cc1O 713925987 ZJWGIVQKBRCMCR-JTQLQIEISA-N 301.408 1.705 10 10 DDCE Nc1ccc(NC(=O)Cn2cccc(Br)c2=O)cc1 97909217 AQIWVLUQXQWYEX-UHFFFAOYSA-N 322.162 1.832 10 10 DDCE COC(=O)[C@@H](CC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1451669611 VNSTZWHBSWALJQ-GFCCVEGCSA-N 318.333 1.921 10 10 DDCE CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1456055679 JIBOPKVKUWJGFA-LBPRGKRZSA-N 320.389 1.546 10 10 DDCE Cn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(Cl)c2O)n1 1606861228 ZGWQJDVITOQXDX-UHFFFAOYSA-N 310.697 1.617 10 10 DDCE O=C(CNC(=O)NC1CCCCC1)NCc1ccc(O)cc1O 1469160931 WQCAEZDIQQBBQP-UHFFFAOYSA-N 321.377 1.346 10 10 DDCE C[C@@H]1CCN(CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1618608611 PYMMGJHNHNVCCU-LLVKDONJSA-N 303.366 1.921 10 10 DDCE NC(=O)CCN(Cc1ccccc1)C(=O)c1cc(O)cs1 1540631018 LDSCUEPMNCVJAN-UHFFFAOYSA-N 304.371 1.972 10 10 DDCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)Cc1ccccc1 1623424932 CQOYVVJBONYNQY-GFCCVEGCSA-N 313.353 1.957 10 10 DDCE COc1ccc(CNCC[C@@H](C)NC(=O)c2nc[nH]n2)cc1C 1716183292 ZDIVYAVJZFAFRP-GFCCVEGCSA-N 317.393 1.420 10 10 DDCE O=C1C[C@@H](Oc2ccccc2NC(=O)c2cccc(O)c2O)N1 1639528022 PHTVKRIXFIYSJH-CQSZACIVSA-N 314.297 1.575 10 10 DDCE O=C(NCc1cccc(Br)c1O)c1cnnc(O)c1 1634724636 DPOHQFXTJCIMBT-UHFFFAOYSA-N 324.134 1.580 10 10 DDCE COC(=O)c1oc(C(=O)NCc2c(O)cccc2O)cc1C 1639292698 NBTDQDVDKLDMMZ-UHFFFAOYSA-N 305.286 1.716 10 10 DDCE CS(=O)(=O)c1ccc(C(=O)NCc2ccccc2O)cn1 1566373706 AWKPBGZUQIECBT-UHFFFAOYSA-N 306.343 1.121 10 10 DDCE CC(=O)NC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1585023316 CPAKOUMLZCOISA-UHFFFAOYSA-N 303.322 1.248 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NCc1ccccc1O 1636058129 RGJXKGFISXXVCK-GFCCVEGCSA-N 324.377 1.284 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1912187408 KHKBMKWDCGETQV-SSDOTTSWSA-N 301.294 1.405 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](N)[C@@H]1c1c(O)cc(O)cc1O 1952306211 JGONEHRGJFDKDO-TVQRCGJNSA-N 310.350 1.813 10 10 DDCE CNCc1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c(Cl)c1 2151285847 LWSAAQJUEVXAQU-RISCZKNCSA-N 314.838 1.683 10 10 DDCE C[S@](=O)CC1CN(c2ccc(CN)c(Br)c2)C1 2001795204 VEYKHZYEPSUWNE-KRWDZBQOSA-N 317.252 1.723 10 10 DDCE CC(C)CNCc1cnc(SC2=NC(=O)CC(=O)N2)s1 2155328595 MCFLLSAGYOXOKL-UHFFFAOYSA-N 312.420 1.383 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H](C)c3cnc(C)s3)c2n1 2063772015 XNIJMUFUCSBDIH-MRVPVSSYSA-N 317.374 1.999 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)C[C@H](C)C(=O)O 2183442682 JWDREVXFSIVOEN-UWVGGRQHSA-N 301.364 1.436 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N(O)C2CCCC2)cc1 2191646903 YORIKUTYAVZBDF-UHFFFAOYSA-N 300.380 1.611 10 10 DDCE Oc1ccc(Br)cc1CN1CCN[C@@H]2COC[C@H]21 2068834911 YVHFDFFBJXAGLK-VXGBXAGGSA-N 313.195 1.327 10 10 DDCE Cc1cccc(CNCCn2cc(Br)nn2)c1O 2072768200 PWTNSVDRZXOHME-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)[C@@H]1CC[C@@H](CO)C1 2101586449 KQWAIQPIUOUOSF-PSASIEDQSA-N 305.783 1.948 10 10 DDCE Cn1nc(Br)c(CNCc2cccc(O)c2O)n1 2219794194 MLHZKIYQTQDSBX-UHFFFAOYSA-N 313.155 1.279 10 10 DDCE CSc1ncc(CN=c2nn[nH]n2-c2ccccc2)s1 2284508277 QIMDOGFZYCAFJJ-UHFFFAOYSA-N 304.404 1.875 10 10 DDCE CCNS(=O)(=O)NCc1ccc(C)c(Br)c1O 2307568404 CZRBLVBFXDKUGF-UHFFFAOYSA-N 323.212 1.407 10 10 DDCE C[C@@H](CNC(=O)C=Cc1ccc(O)c(O)c1)Cn1cccn1 2307986232 HRAFBWUINXADJN-LBPRGKRZSA-N 301.346 1.760 10 10 DDCE O=C1O[C@H](c2ccc(O)cc2)[C@@H](C(=O)O)c2cc(O)c(O)cc21 33414018 FXAOYTGQTQWGPR-UONOGXRCSA-N 316.265 1.883 10 10 DDCE COc1cc(N2CCN(Cc3ccccc3O)CC2)ncn1 184435153 WYYOIPVLYAUURG-UHFFFAOYSA-N 300.362 1.513 10 10 DDCE COc1ccc(O)c(CNC(=O)C[C@H](C)N2CCCCC2=O)c1 189385205 OARLXONTUDXTQU-LBPRGKRZSA-N 320.389 1.808 10 10 DDCE C[C@H](NS(=O)(=O)CCOc1ccc(N)cc1)c1ncc[nH]1 138464490 NDMOZPFYQRRVEO-JTQLQIEISA-N 310.379 1.051 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CCN3CCCC[C@@H]3C2)cc1 40320508 WWPAYVBOUXWVPH-OAHLLOKOSA-N 309.435 1.269 10 10 DDCE C[C@@H](N)c1ccc(N2CCNC(=O)[C@H]2C)cc1Br 235218238 XRKFBMSALAIPFB-RKDXNWHRSA-N 312.211 1.794 10 10 DDCE COC[C@H](O)CN(CC(=O)OC)Cc1cc(Cl)ccc1O 269602882 AXXXMSHQYBWATO-GFCCVEGCSA-N 317.769 1.028 10 10 DDCE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)c1cccc(O)c1O 365676847 YNYJHTVDNZQFMR-WDEREUQCSA-N 323.345 1.281 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=O)N3CC(CO)C3)C2)cc1 824686739 OFQJUAFDGQCARX-ZDUSSCGKSA-N 319.405 1.155 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)NCC[C@@H](C)O)C2)cc1 824688637 XVTOVBXYGYZBDE-ZIAGYGMSSA-N 321.421 1.592 10 10 DDCE COc1ccc(N2CCN(C(=O)C3CC(C)(O)C3)CC2)cc1 822197293 UTIFVEGNBXEADU-UHFFFAOYSA-N 304.390 1.505 10 10 DDCE C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H](C)[C@@H]1O 827152386 SXZWSGTXUZXKJK-MNZLEMJZSA-N 317.477 1.887 10 10 DDCE COC(=O)[C@H]1CSCCN(Cc2c(O)cccc2OC)C1 840976343 DOJXVTTUMDFRPA-LLVKDONJSA-N 311.403 1.739 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@H]1NCc1c(O)cc(C)cc1Cl 850360423 FJSDQMCYYJDGEE-YPMHNXCESA-N 319.810 1.256 10 10 DDCE CCn1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 855227635 ZCQPRQPLSQQYPG-ZDUSSCGKSA-N 314.389 1.920 10 10 DDCE CCC[C@@](C)(O)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855231512 BDNUJJOVAMQXDY-SUMWQHHRSA-N 306.406 1.941 10 10 DDCE COc1ccc(O)c([C@@H](C)NS(=O)(=O)N(C)C2CC2)c1 751316752 ATGQFGKTDQWXES-SECBINFHSA-N 300.380 1.390 10 10 DDCE Oc1cc2c(cc1CN1CCC[C@@H]3COCC[C@@H]31)[C@@H](O)CO2 768463673 LDXMEBZLTBXZDR-WPGHFRTFSA-N 305.374 1.819 10 10 DDCE C[C@H]1C[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 768981089 LTWXGDQMBGFMMO-BJJXKVORSA-N 315.417 1.661 10 10 DDCE COc1cccc(CNCCN2C[C@H]3CCCCN3C2=O)c1O 895343378 QQKDVUYJQIABJM-CQSZACIVSA-N 319.405 1.781 10 10 DDCE Cc1cc(Br)c(O)c(CN2CC[C@@H](C(N)=O)C2)c1 781892801 DODMTBXIHWZVJL-SECBINFHSA-N 313.195 1.770 10 10 DDCE O=C(N[C@@H]1CCOC[C@H]1O)c1cc2cc(O)c(O)cc2s1 899146010 SMKDCPZXBUAVME-LDYMZIIASA-N 309.343 1.192 10 10 DDCE CCOC(=O)c1n[nH]c([C@H](C)NCc2ccc3c(c2)CCO3)n1 895236470 SMEWHFAPCWJFAZ-JTQLQIEISA-N 316.361 1.767 10 10 DDCE O=C1NCC2(CCOCC2)[C@H]1NCc1cc(Cl)ccc1O 895772958 MUKFZAXXCNJLDR-ZDUSSCGKSA-N 310.781 1.430 10 10 DDCE O=C(COCc1ccnc(O)c1)N1Cc2cccc(O)c2C1 1332241966 BWDUDBYPVMKVSM-UHFFFAOYSA-N 300.314 1.552 10 10 DDCE COc1ccc(CNC[C@@H](C)N(C)C(=O)[C@@H](C)OC)cc1C 1268056588 XJSWMZYIUIEFOF-ZIAGYGMSSA-N 308.422 1.975 10 10 DDCE Cc1nccn1C[C@@H](C)CNC(=O)Cc1ccc(O)c(O)c1 1441885588 HHVWKUVERCVHOC-NSHDSACASA-N 303.362 1.598 10 10 DDCE O=C(CCn1cnccc1=O)Nc1c(Cl)ccc2nonc12 1525321742 BSTYBXHZRQWEDM-UHFFFAOYSA-N 319.708 1.462 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc2cccnn12 1296247406 UIUPGVSFOLRIPL-SNVBAGLBSA-N 312.329 1.502 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCc2nc(O)ccc21 1463893216 HDFUVEQLQDVFLF-ZDUSSCGKSA-N 314.341 1.935 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)Cc2ccon2)cc1C 1714218112 PLQTWFHCVDLEAR-CYBMUJFWSA-N 317.389 1.829 10 10 DDCE C[C@H]1CCNC(=O)[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1626056389 BCHPDUYVCJKJEK-KWQFWETISA-N 303.322 1.103 10 10 DDCE CO[C@H]1COCC[C@@H]1N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1636779802 SMLCWFJQLZUCJO-STQMWFEESA-N 320.349 1.725 10 10 DDCE CCOC(=O)C[C@H](O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1567777590 YIDVOQXABNBRAM-RISCZKNCSA-N 308.378 1.244 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccnc2[nH]c(O)nc12 1643103582 ANFXGPRZJITIKG-UHFFFAOYSA-N 300.274 1.005 10 10 DDCE Cc1cnc2c(cnn2CC(=O)NCc2c(O)cccc2F)c1 1652298721 OPXHIAHKIVDDAY-UHFFFAOYSA-N 314.320 1.901 10 10 DDCE C[C@@](O)(CCO)CNCc1cc(Br)cc(F)c1O 1966085828 UCPJXOZRIFYFBH-GFCCVEGCSA-N 322.174 1.517 10 10 DDCE CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(N)cc1 1866119150 RODLJBHCGRSSST-INIZCTEOSA-N 313.357 1.660 10 10 DDCE COC(C)(C)CS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 840915232 DKYJCMOMQFAEJX-UHFFFAOYSA-N 303.336 1.257 10 10 DDCE CCOC(=O)CCN(C)C(=O)CCNCc1cc(C)ccc1O 1857864374 LEMGJXJGMOAGJH-UHFFFAOYSA-N 322.405 1.592 10 10 DDCE COc1ccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)cc1 1857878912 NYTPMWFPDDDSPF-UHFFFAOYSA-N 310.317 1.505 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](CN2CCC(N=[N+]=[N-])CC2)C1 1912164479 BMSCNGHGMFSLFF-NSHDSACASA-N 301.416 1.433 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@@H]2COCC(=O)N2)c1 1952172640 UPOJMPNYBPHYQT-NSHDSACASA-N 308.334 1.927 10 10 DDCE C[C@@H]1N(Cc2ccccc2)CC[C@@]1(NCCN=[N+]=[N-])C(N)=O 309864363 DZSMPMKBEFSNRA-WFASDCNBSA-N 302.382 1.405 10 10 DDCE CCNCc1ccc(OC)c(C[S@@](=O)CC[S@@](C)=O)c1 319389379 AEYPGIBFYNLQND-UXHICEINSA-N 317.476 1.432 10 10 DDCE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O 802777579 NTRGYDDKVRCKRI-GFCCVEGCSA-N 324.377 1.548 10 10 DDCE COC[C@@H]1CCCCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2062122350 NOCIHSTYZQDDAV-GFCCVEGCSA-N 318.377 1.632 10 10 DDCE O=C(C[C@@]1(O)CCOC1)NCc1c(O)ccc2ccccc12 2065015720 HJCLLHGQNZTDGB-KRWDZBQOSA-N 301.342 1.703 10 10 DDCE CCNC(=O)c1cnn([C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 2069932384 UMTGUCGPGQSJMY-SECBINFHSA-N 304.306 1.856 10 10 DDCE C[C@H]1CNC(=O)CN1c1cc(Br)c(CN)cc1F 2060850903 IBNGXVFOLJLCFI-ZETCQYMHSA-N 316.174 1.372 10 10 DDCE C[C@H](N)c1cc(F)c(N2CCCS(=O)(=O)CC2)c(F)c1 2194702753 PLONCAAVSWBWKB-VIFPVBQESA-N 304.362 1.609 10 10 DDCE O=C1NCC[C@H]1CCNCc1cccc(Br)c1O 2075989015 FVSJBEPMZCCDPA-SECBINFHSA-N 313.195 1.771 10 10 DDCE O=C(NCC1CCC2(CC1)OCCO2)c1ccc(O)c(O)c1 2090779726 OMEHDSPOWODKQZ-UHFFFAOYSA-N 307.346 1.761 10 10 DDCE CS(=O)(=O)C1(C[S@](=O)CCc2ccc(N)cc2)CC1 2229549288 XESMPMPPIVVLEZ-GOSISDBHSA-N 301.433 1.137 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@H](CC(=O)O)C2)s1 2284536364 FQTWMOKNPPINOB-MRVPVSSYSA-N 315.420 1.871 10 10 DDCE Cc1cccc(N2C(=O)NC(=O)C(=CNc3ccccn3)C2=O)c1 2297511603 WMWIPNIMGVSDAR-UHFFFAOYSA-N 322.324 1.969 10 10 DDCE C[C@H](CN1CCCC1=O)NC(=O)C=Cc1ccc(O)c(O)c1 2307996692 KCRQPJSYOGOLQE-LLVKDONJSA-N 304.346 1.238 10 10 DDCE COC(=O)[C@]12C[C@H]1CN[C@H]2c1cc(Br)ccc1O 2308895434 MGSWNMGQRDIHPJ-LCHGKGQCSA-N 312.163 1.978 10 10 DDCE CSc1ncc(CN[C@H]2CC[C@@H](S(C)(=O)=O)C2)s1 2314906429 YVPXSFRPTVJYAX-WCBMZHEXSA-N 306.478 1.920 10 10 DDCE O=C(O)[C@@]1(Sc2nccs2)CNC[C@@]2(CCCO2)C1 2351874186 HVDSSFJNFOXUTO-NEPJUHHUSA-N 300.405 1.601 10 10 DDCE COCC(=O)N1CCN(Cc2cc(Cl)cc(C)c2O)CC1 179673592 SWNAVAZTKORKDQ-UHFFFAOYSA-N 312.797 1.645 10 10 DDCE Cc1ccc(/C=C/C(=O)N2CCCc3ccc(C(N)=O)nc32)cn1 1437445053 NQQLKCUFERSBOQ-RMKNXTFCSA-N 322.368 1.877 10 10 DDCE O=S(=O)(C(F)F)[C@@H]1CCN(Cc2c(O)cccc2F)C1 2368505649 OXMNDHOPQTVIQX-MRVPVSSYSA-N 309.309 1.743 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@]3(C)CCCNC3)CC2)cc1 237268732 HOKAUVLJNGVGKY-GOSISDBHSA-N 317.433 1.734 10 10 DDCE C[C@](N)(CCO)c1ccc(I)cc1O 238501772 QQGUBICTDQWGPA-JTQLQIEISA-N 307.131 1.553 10 10 DDCE C[C@H](N[C@@H]1CCN(C)C1=O)c1ccc(N2CCOCC2)c(F)c1 90075413 BEFRXEDFNCGBCS-SWLSCSKDSA-N 321.396 1.544 10 10 DDCE C[C@H]1CCN(S(=O)(=O)CCOc2ccc(N)cc2)C[C@H]1C 253058515 BQQIOJXVOJIPEZ-QWHCGFSZSA-N 312.435 1.955 10 10 DDCE O=C1CC[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)CCN1 815835816 GLHJJEOHLHSVQI-ZDUSSCGKSA-N 316.401 1.804 10 10 DDCE CC1(O)CC(C(=O)NCc2cccc(Br)c2O)C1 830530401 ZWHZKGFCDNMWSD-UHFFFAOYSA-N 314.179 1.932 10 10 DDCE C/C(=C\C(=O)N[C@H](C)c1ccccc1O)CN1CCOCC1 913763823 SIDQIEJDGXASSM-YPDDLIOESA-N 304.390 1.848 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)C[C@@H]2CCCC[C@H]2O)cc1 843299227 ULXTVVIFVGDEAW-USXIJHARSA-N 319.449 1.810 10 10 DDCE CCO[C@@H](CNC(=O)N(C)Cc1ccccc1O)CN(C)C 926832002 VBDBPFABFZVJPX-AWEZNQCLSA-N 309.410 1.500 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cnc(C2CC2)nc1O 928709294 IBSLNSIDVVMWQM-UHFFFAOYSA-N 303.293 1.834 10 10 DDCE COC[C@H](CCNC(=O)NCc1cc(OC)ccc1O)OC 853736635 IQGNURQWZAHVBA-ZDUSSCGKSA-N 312.366 1.252 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H](CN)C3CC3)C2)cc1 851664738 JHYKWMYKIGEEQE-CZUORRHYSA-N 318.421 1.310 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H]4C[C@@H]43)C2)cc1 852448554 KLLGJAKNFGSKGG-VBNZEHGJSA-N 317.389 1.457 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCNC(=O)CC2(C)C)c1O 931204015 XAWWZBSXHJUISF-UHFFFAOYSA-N 308.353 1.834 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cn3nccc3C)C2)cc1 862158176 CKIFIKWBRQOMLJ-AWEZNQCLSA-N 314.389 1.595 10 10 DDCE COC(=O)CN(Cc1ccc(N2CCOCC2)cc1)C1CC1 770279848 CWDDODPTZFUWGB-UHFFFAOYSA-N 304.390 1.661 10 10 DDCE CNC(=O)[C@@H]1CCCN1Cc1ccc(N2CCN(C)CC2)cc1 775658573 NHEIJOFTGJCMOK-KRWDZBQOSA-N 316.449 1.149 10 10 DDCE O=C(/C=C\c1cnccn1)OCC(=O)c1ccc(O)c(O)c1 783653509 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314.385 1.643 10 10 DDCE CC1(CS(C)(=O)=O)CN(c2ccc(CO)c(Cl)c2)C1 2116569435 RGPWZKIIIHNHAV-UHFFFAOYSA-N 303.811 1.703 10 10 DDCE CCN(CC)C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1544833913 UINBDTDYNDOTQZ-CQSZACIVSA-N 306.406 1.831 10 10 DDCE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C 1639236652 DEYGBXWERDQTHL-JTQLQIEISA-N 309.362 1.734 10 10 DDCE NC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)[nH]1 1570533795 QUXAPCBMICHAQD-UHFFFAOYSA-N 310.313 1.297 10 10 DDCE O=C(NCc1cccc(O)c1O)[C@@H]1CC(c2cccnc2)=NO1 1644710925 NMSKVVVNUJTWDA-AWEZNQCLSA-N 313.313 1.302 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2CC23CC3)cc1C 1676583826 NGPJQOYFVVBKED-CABCVRRESA-N 318.417 1.370 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2C[C@H]2C)cc1C 1699056232 YXUVFGBPZDPJPE-KCPJHIHWSA-N 306.406 1.226 10 10 DDCE CN(c1ccc(CN)cc1Br)C1CS(=O)(=O)C1 1946845225 GUDNRSMHQLFTIA-UHFFFAOYSA-N 319.224 1.141 10 10 DDCE Oc1cccc(Br)c1CNC[C@@H]1COC[C@@H]1O 1948505330 TWVLSQCDKQLFEO-PELKAZGASA-N 302.168 1.252 10 10 DDCE O=S1(=O)CCN[C@H](c2c(O)cccc2Br)C1 1952643182 MTPYTLRYWWNPBC-QMMMGPOBSA-N 306.181 1.214 10 10 DDCE CN1CCN(C(=O)OC(C)(C)C)[C@@H](c2cccc(N)c2O)C1=O 1953012356 RPWGWWAMZRQKRW-LBPRGKRZSA-N 321.377 1.725 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 1977923538 VPQDSPSVLCWOMM-AWEZNQCLSA-N 319.405 1.937 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)Nc1ccc(N)cc1 1993329244 YNMQTTMVKISDDD-ZDUSSCGKSA-N 323.393 1.873 10 10 DDCE O=C(NCC1(Br)CC1)c1cc(O)c(O)c(O)c1 2015123188 QKIIETSLZOIZSM-UHFFFAOYSA-N 302.124 1.461 10 10 DDCE CNCc1ccc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c(F)c1 400918865 UMEXDLVVSURMTE-GHMZBOCLSA-N 300.399 1.557 10 10 DDCE CC(C)S(=O)(=O)CCCOc1cc(N(C)C)ccc1N 697136813 LKYJDFAVQBWUCL-UHFFFAOYSA-N 300.424 1.927 10 10 DDCE COCCOCCOCCSc1ncc([C@@H](C)O)s1 2231782022 GKHBUJIVVGENPA-SNVBAGLBSA-N 307.437 1.968 10 10 DDCE CO[C@H]1CC[C@@H]1CS(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 2239428764 ZTMQZMUFJADSCG-NEPJUHHUSA-N 302.400 1.764 10 10 DDCE CSc1ncc(Cn2c(O)nnc2SCC(=O)O)s1 2269139270 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1.543 10 10 DDCE COc1cc(Cl)cc(CN2CCN3CCOC[C@H]3C2)c1O 363929178 PKLXYANJUDYQTH-CYBMUJFWSA-N 312.797 1.571 10 10 DDCE COc1ccc(O)c(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 373215656 JOEJRTDGWVPILA-SWLSCSKDSA-N 304.390 1.891 10 10 DDCE Cn1cc2c(n1)CCC[C@@H]2NC(=O)c1c(F)ccc(O)c1O 296224688 WYXBKQQRLUFYGN-JTQLQIEISA-N 305.309 1.778 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(-c2cncnc2)cc1F 808538598 YDNNWWVMUSBFTF-UHFFFAOYSA-N 302.261 1.598 10 10 DDCE CC(=O)C(=O)COC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C 808521709 ATKUGKSJYMETQT-NSHDSACASA-N 313.350 1.477 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 808495480 RCKPCJPVJPPYPT-CYBMUJFWSA-N 317.341 1.358 10 10 DDCE CNC(=O)N1CCN(Cc2cc(Cl)c(F)cc2O)CC1 295507968 YXLBEQHBQHGLEJ-UHFFFAOYSA-N 301.749 1.642 10 10 DDCE CN(C)c1ccc(/C=C\CNCc2cc(C(N)=O)no2)cc1 835048713 XWXCCJHRNQIUPG-ARJAWSKDSA-N 300.362 1.643 10 10 DDCE COC(=O)[C@@H]1CSCCN(Cc2c(O)cccc2OC)C1 840976345 DOJXVTTUMDFRPA-NSHDSACASA-N 311.403 1.739 10 10 DDCE CCN(CC)c1ccc(CN(C)C(=O)C[C@H](C)NC(N)=O)cc1 847304445 QSZSLBLEVMRCSL-ZDUSSCGKSA-N 320.437 1.938 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cccc(O)n3)C2)cc1 855230281 FOTAUOKSZSOWEA-GFCCVEGCSA-N 313.357 1.805 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)N[C@H]2CCC(=O)N(C)C2)c1 756595399 SRGUEFYMWVWYDB-PWSUYJOCSA-N 306.362 1.450 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCOC3)C2)cc1 852226712 SFPJBCCONZPWIR-CHWSQXEVSA-N 305.378 1.362 10 10 DDCE C[C@@H]1CC[C@H](NCc2ccc(N3CCN(C)CC3)cc2)CN1 863484593 JWGULEOVNNNWQH-WBVHZDCISA-N 302.466 1.669 10 10 DDCE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1O 876136010 YXZDJZNGCYKVSA-MISXGVKJSA-N 322.361 1.331 10 10 DDCE CC(=O)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H](C)C1 779535451 XGKCCQIAJQTPTC-VLWUPBBWSA-N 304.346 1.190 10 10 DDCE Cc1cc(C)n([C@H](C)C(=O)OCC(=O)c2ccc(O)c(O)c2)n1 783193650 MADHQWVIZVYZRE-LLVKDONJSA-N 318.329 1.898 10 10 DDCE CCN1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O 897901771 GNVZWJDRZHDBSX-VIFPVBQESA-N 320.370 1.663 10 10 DDCE C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)Cc1ccc(O)c(O)c1 1138312027 LUAJRMAPDYPHKP-JTQLQIEISA-N 308.378 1.402 10 10 DDCE COc1ccc(O)c(CNC(=O)NCc2cccnc2F)c1 793018127 VVDZVDZRARXDKS-UHFFFAOYSA-N 305.309 1.934 10 10 DDCE CN(C)c1ccc(CNCc2nc(Br)nn2C)cc1 894159045 AKDJTPOTQNJNIH-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE COC[C@@](C)(N)c1cc(I)ccc1O 1951664484 AQSWPQKWPDXTFA-SNVBAGLBSA-N 307.131 1.817 10 10 DDCE CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1456287845 FHIIDLYPWBAQTF-VXGBXAGGSA-N 306.322 1.383 10 10 DDCE Nc1c(C(=O)NCc2ccc(O)cc2O)cnn1-c1ccccc1 1299573989 MSKJZLAFQZSEGG-UHFFFAOYSA-N 324.340 1.796 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1cnc[nH]1 1611431336 NJOAWOFSXNFWRI-SNVBAGLBSA-N 303.362 1.846 10 10 DDCE C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1nn(C)cc1O 1472237416 RAQHGBOZEWPFQS-RNEXMXFGSA-N 303.318 1.428 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2cnon2)cc1C 1480557400 SMAWIJHMTYVGJK-LLVKDONJSA-N 304.350 1.295 10 10 DDCE NC(=O)c1ccc(/C=C\C(=O)NCc2cc(O)ccc2O)o1 1558175601 XFIBPBARWFNZKY-UTCJRWHESA-N 302.286 1.119 10 10 DDCE Cc1cccc(NCCNC(=O)Cc2ccc(O)c(O)c2)n1 1646260960 PRWXHRNZAQXBII-UHFFFAOYSA-N 301.346 1.572 10 10 DDCE COCc1nc(C)c(C(=O)NCc2cc(O)ccc2O)s1 1644753868 LLQXLZVKIVGXRO-UHFFFAOYSA-N 308.359 1.939 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCCN(S(=O)(=O)NCC(F)(F)F)C1 1912202156 CNOIGSAAYWVPIX-QMMMGPOBSA-N 315.321 1.796 10 10 DDCE CC(=O)C(=O)[C@]1(O)CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 1919267915 NCOICGDFSKFKKH-OZVIIMIRSA-N 311.378 1.685 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H]3[C@H](C(N)=O)[C@@H]3C2)c(Br)c1 2136599234 BVWLEIJKGNDZBJ-OIORRXCASA-N 324.222 1.636 10 10 DDCE COC(=O)[C@H]1CCN[C@H]1c1cc(Br)ccc1O 1952826271 WJLUXXKNUKAFOJ-GZMMTYOYSA-N 300.152 1.978 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)c(F)c1 2143673158 TYAPMJHBDAFOOE-GHMZBOCLSA-N 301.383 1.750 10 10 DDCE CC(=O)C(=O)[C@@]1(O)CCC2(CCC2)N(C(=O)OC(C)(C)C)C1 1974854400 GGSURKDHEGXQLC-MRXNPFEDSA-N 311.378 1.829 10 10 DDCE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)COc1ccc(N)cc1 1977688164 YDSUACAZOYFRRQ-LLVKDONJSA-N 323.393 1.677 10 10 DDCE CN(C(=O)CN1CCCC[C@@H]1C1OCCO1)c1ccc(N)cc1 2145805820 ORZJKSVGDNAAAS-OAHLLOKOSA-N 319.405 1.459 10 10 DDCE Cc1nc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)cs1 2149051294 NNQNSGYOFSDRNJ-UHFFFAOYSA-N 314.344 1.656 10 10 DDCE Oc1c(Br)cccc1CNC[C@@H]1C[C@H](O)CCO1 2036670482 BITHDNZBQSBHFZ-MNOVXSKESA-N 316.195 1.784 10 10 DDCE Oc1c(F)cc(Br)cc1CN[C@@H]1COCC[C@@H]1O 715744040 DKMZNQJKRUYCED-MNOVXSKESA-N 320.158 1.533 10 10 DDCE COc1ccc(Cn2ncc(C(=O)NC3CC3)c2O)c(O)c1 2070505932 MQZYQPMAGHOQOG-UHFFFAOYSA-N 303.318 1.243 10 10 DDCE CS(=O)(=O)[C@H]1CCC[C@@H]1NCc1ccc(F)c(F)c1O 2205994439 HQSYQGZRIKCLBK-QWRGUYRKSA-N 305.346 1.726 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H](F)C[C@@H]2C(=O)O)s1 2284504103 JOWPDUPHCZUONY-POYBYMJQSA-N 319.383 1.572 10 10 DDCE COC(=O)[C@H](O)CNCc1ccc(C)c(Br)c1O 2327802112 XBADEZHOFUEYCK-SECBINFHSA-N 318.167 1.087 10 10 DDCE Nc1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 8031006 JKJRUGOMCAGNQY-UHFFFAOYSA-N 323.443 1.841 10 10 DDCE C[C@@H]1CCC[C@@](CO)(NS(=O)(=O)Cc2ccc(N)cc2)C1 53113201 MXFWFVYWFPNKID-IUODEOHRSA-N 312.435 1.629 10 10 DDCE COc1ccc(N2CCN(C=O)CC2)cc1NC(=O)C1CCC1 62160277 WBQFPJFUXBWYTG-UHFFFAOYSA-N 317.389 1.712 10 10 DDCE CO[C@@H]1CN[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 187935634 LQKWEHZSOMEZOA-LSDHHAIUSA-N 303.406 1.062 10 10 DDCE CCOC(=O)COc1ccc(/C=C2/SC(N)=NC2=O)cc1 210900507 XEMPENIBIKWELD-YRNVUSSQSA-N 306.343 1.558 10 10 DDCE COc1ccc(O)c([C@H](C)NC[C@@H](C)CS(C)(=O)=O)c1 182436274 KVXYIIXSFMPYSF-MNOVXSKESA-N 301.408 1.732 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCCC(=O)N1 194470240 ORHLHWDAZMIVJG-CMPLNLGQSA-N 306.362 1.204 10 10 DDCE CC(=O)NC[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 295413519 RSHRGFJYMBXNQN-LLVKDONJSA-N 316.760 1.522 10 10 DDCE Cc1cc(CN2C[C@@H](O)C[C@@H](O)C2)ccc1N1CCCCC1 827956789 JLUPEJLSHNUNET-CALCHBBNSA-N 304.434 1.913 10 10 DDCE CCOc1ccc(O)c(CN2CCC[C@@]2(COC)C(=O)OC)c1 827488458 HPOJEMPLHAQSMB-QGZVFWFLSA-N 323.389 1.945 10 10 DDCE COc1ccc(N2CC[C@H](N[C@H](C)c3cn(C)nn3)C2)cc1 903047356 MEGCXGJMJVMFJP-OLZOCXBDSA-N 301.394 1.753 10 10 DDCE CCO[C@@H]1CCCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1 737875818 AWQOAEXDLGHHKS-LLVKDONJSA-N 320.349 1.134 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC1CCC2(CC1)OCCO2 1544274242 FWCVUAQDLGDSLM-UHFFFAOYSA-N 307.346 1.442 10 10 DDCE O=C(O)CCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 842570697 FNKASTBPKLIHNN-UHFFFAOYSA-N 324.352 1.268 10 10 DDCE C[C@H](CC(=O)NCCCSc1nccs1)NC(N)=O 847488117 UEXVCUWKQXXNCA-MRVPVSSYSA-N 302.425 1.188 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC3(CO)CCC3)C2)cc1 854299113 LMMNDSMYEPSHGD-CYBMUJFWSA-N 319.405 1.488 10 10 DDCE CN(C)c1ccc(CNC[C@@]2(OCCO)CCOC2)cc1F 850357929 BUHBXAFTEGTLBC-INIZCTEOSA-N 312.385 1.149 10 10 DDCE c1cc(N2CCCCC2)ccc1CN1CCOC2(CNC2)C1 853248470 AFPVFQWYBLPWLI-UHFFFAOYSA-N 301.434 1.851 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@@H](O)c2ccnn2C)cc1 922971472 ZBKBXBYJWKALNQ-VGOKWCNXSA-N 300.406 1.823 10 10 DDCE COC(=O)c1cnc(SCC(=O)C(=O)OC(C)(C)C)s1 863340253 JNGHDZNOUVCGFE-UHFFFAOYSA-N 317.388 1.933 10 10 DDCE Cn1cc(CCC(=O)Nc2c(Cl)ccc3nonc23)nn1 1118839666 BSTWSJAPYMVZTQ-UHFFFAOYSA-N 306.713 1.576 10 10 DDCE COc1cc(C)cc(CNC[C@]23COCCN2C(=O)OC3)c1O 895455339 WGGUCYJHVLJNBU-MRXNPFEDSA-N 322.361 1.020 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-n2nccn2)cc1 1142492052 NJCCOYKVRFYIMB-UHFFFAOYSA-N 310.313 1.860 10 10 DDCE CN(Cc1cc(F)cc(F)c1O)C[C@H]1CCS(=O)(=O)C1 1350309908 NETAIGDLCQUFON-SECBINFHSA-N 305.346 1.537 10 10 DDCE CC(C)(C)OC(=O)NCC=CCNC(=O)c1cccc(O)c1O 1962727881 DNUZBMPRSSYGPJ-UHFFFAOYSA-N 322.361 1.909 10 10 DDCE CCN(CC)c1ccc(CN(C)C(=O)C2=NO[C@@H](CN)C2)cc1 1327569275 GAJSEZOIPMKBCP-OAHLLOKOSA-N 318.421 1.595 10 10 DDCE CC[C@H](C)CN(C)S(=O)(=O)CCOc1ccc(N)cc1 70490580 FWSQCXAETPUTRY-LBPRGKRZSA-N 300.424 1.955 10 10 DDCE CN(Cc1cccc(F)c1O)C[C@H]1CCCCS1(=O)=O 694397884 MCSRJZAEVIREEW-GFCCVEGCSA-N 301.383 1.930 10 10 DDCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC1COC1 1351361909 TXAMGSDFRZZYOU-UHFFFAOYSA-N 319.405 1.093 10 10 DDCE CSc1nnc(CNC(=O)Cc2ccc(O)c(O)c2)s1 1296648410 JYUUPKGHCJDOSH-UHFFFAOYSA-N 311.388 1.530 10 10 DDCE Nc1ncnc2cc(C(=O)NCc3ccc(O)c(O)c3)ccc12 1294871081 OUMFCDFVANFNCO-UHFFFAOYSA-N 310.313 1.553 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)Cn2cc(C(C)=O)nn2)c1 1465991875 GWMPTYVXNYMNGO-SECBINFHSA-N 318.333 1.072 10 10 DDCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCC(N)=O)c1 1465293407 NSIRUEGHRCYDSN-UHFFFAOYSA-N 313.357 1.512 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cc2c(O)ncnc2cn1 1559037014 GBIBOOVMSYFXTO-UHFFFAOYSA-N 314.276 1.505 10 10 DDCE CC(C)n1cc(CNC(=O)c2cc(O)cs2)c(O)nc1=O 1632997336 LSBIMKKWTMATOR-UHFFFAOYSA-N 309.347 1.227 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cnc(C2OCCO2)s1 1651225664 SOSLMLNURPEILN-UHFFFAOYSA-N 322.342 1.530 10 10 DDCE COc1ccc(CNC/C=C/CNC(=O)[C@@H](C)OC)cc1C 1699236522 KZWJUMPNTOYTIE-VBROQKIQSA-N 306.406 1.801 10 10 DDCE CC(C)(C)OC(=O)N1CC([C@H](O)[C@H](N)c2ccccc2O)C1 1920142937 KBVLFLFADZQEJK-KGLIPLIRSA-N 308.378 1.620 10 10 DDCE CCNCc1ccc(N(C)CCS(C)(=O)=O)cc1Cl 233510702 RPWGCGWFVCWYFQ-UHFFFAOYSA-N 304.843 1.930 10 10 DDCE Cc1cccc(O)c1CNC1(CO)CN(C(=O)OC(C)(C)C)C1 1976894172 ASUSYRCAUVOVLX-UHFFFAOYSA-N 322.405 1.772 10 10 DDCE Nc1ccc(NC(=O)CCCN2CC[C@H](C3OCCO3)C2)cc1 2145849225 VFUQNRCSGMQOIQ-ZDUSSCGKSA-N 319.405 1.682 10 10 DDCE NCc1ccc(N2C[C@H]3C[C@@]2(CO)CO3)cc1Br 2033613569 MCGMGLMZTRIXCB-DGCLKSJQSA-N 313.195 1.248 10 10 DDCE CCOC(=O)c1cnc(SC[C@H]2CN(C)CCO2)s1 400765561 JYGBXCWWDJFANA-SECBINFHSA-N 302.421 1.743 10 10 DDCE CC[C@H](NC[C@@H](O)[C@H](C)O)c1cc(Br)ccc1O 717319671 WHCTXZZCZZJBPR-LJUAHTATSA-N 318.211 1.937 10 10 DDCE Oc1ccc([C@@H]2CN[C@H](c3ccc(O)c(O)c3)CN2)cc1O 2059964749 KNOWUIVBMKCGSP-RYUDHWBXSA-N 302.330 1.484 10 10 DDCE CNCc1ccc(N2CC(C)(CS(C)(=O)=O)C2)c(F)c1 2173195842 UKKWLESPSOBBRY-UHFFFAOYSA-N 300.399 1.416 10 10 DDCE O=C(NCc1c(O)cc(O)cc1O)[C@H]1CCOC2(CCC2)C1 2064716380 ONXVSHNKDSFRRI-JTQLQIEISA-N 307.346 1.769 10 10 DDCE CCOCCS(=O)(=O)Cc1cc(CNC)ccc1OC 2184223450 BHPWYKPRGHTIKJ-UHFFFAOYSA-N 301.408 1.366 10 10 DDCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(Br)c1 2043184273 JNXYGCFVNVFOAP-INTQDDNPSA-N 316.195 1.434 10 10 DDCE CCNCc1ccc(N2CC(O)(CO)C2)cc1Br 2051893480 AZTLPRPUVUYCAK-UHFFFAOYSA-N 315.211 1.102 10 10 DDCE CC1(C)C[C@@H](S(=O)(=O)Nc2ccc(O)c(F)c2)CCN1 2199689577 LQJBFNHQZWMABL-JTQLQIEISA-N 302.371 1.804 10 10 DDCE NCc1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)c(Cl)c1 2088819791 MNNYJIHKWVVNLO-ZWNOBZJWSA-N 300.811 1.422 10 10 DDCE CO[C@@H]1[C@@H](O)C[C@H]1NCc1ccc(Br)cc1O 2249792827 DIHSLTGPXOCJPC-USWWRNFRSA-N 302.168 1.393 10 10 DDCE CSc1ncc(CNC(=O)N2CSC[C@@H]2C(=O)O)s1 2269094181 HITAXQMDUQTQGM-SSDOTTSWSA-N 319.433 1.534 10 10 DDCE CSc1ncc(CNC(=O)N(C)C(C)(C)C(=O)O)s1 2269092416 HDWUZUPXRMRTNX-UHFFFAOYSA-N 303.409 1.870 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H](C)[C@H]2C(=O)O)s1 2269135223 SIBWBDWISYYRFF-XPUUQOCRSA-N 301.393 1.480 10 10 DDCE COc1cc(OC)c(N2CC[C@H](O)C[C@@H]2CO)cc1Cl 2285866328 GZAMHXUHZOEPRQ-ZJUUUORDSA-N 301.770 1.679 10 10 DDCE Nc1ccc(CCNS(=O)(=O)c2nccnc2Cl)cc1 2286401673 JVRIJGNSJICZDE-UHFFFAOYSA-N 312.782 1.233 10 10 DDCE O=C1NC(=S)NC(=O)C1=CC=Cc1ccccc1[N+](=O)[O-] 2297453394 UUIOARJXFFJUBP-UHFFFAOYSA-N 303.299 1.065 10 10 DDCE COCCNC(=O)CNCc1cc(Br)ccc1O 227435509 MLYJHUMAICMWCA-UHFFFAOYSA-N 317.183 1.007 10 10 DDCE Cc1nn(C)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 179085440 LUJJRZPWCOCSKN-UHFFFAOYSA-N 315.377 1.049 10 10 DDCE Nc1ccc(OCCOc2ccc(S(N)(=O)=O)cc2)cc1 38055774 QVQYYUNNKJUKBL-UHFFFAOYSA-N 308.359 1.374 10 10 DDCE C[C@@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)CCCO1 70490863 ZIWOIZDCBGHLQV-GFCCVEGCSA-N 314.407 1.088 10 10 DDCE CC(=O)N[C@@H]1CCN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 228283290 IYIWYSIQZFBVAB-AMIZOPFISA-N 308.769 1.007 10 10 DDCE CCC(=O)N1CSC[C@@H]1C(=O)NCCc1ccc(O)c(O)c1 269255895 YFXIBUHQEJXSIB-LLVKDONJSA-N 324.402 1.068 10 10 DDCE O=C(NCc1cc(Br)ccc1O)c1ccnnc1 804736270 QDMWUVJTISBHAV-UHFFFAOYSA-N 308.135 1.875 10 10 DDCE CCCCN(Cc1ccccc1O)C[C@H](O)CN1CCOCC1 801597026 XZOFYDJTTBSVNK-QGZVFWFLSA-N 322.449 1.687 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(CSc2nc[nH]n2)cc1 808516189 DDQGKOQLMUBGAZ-UHFFFAOYSA-N 319.342 1.412 10 10 DDCE NCc1cc(Br)c(O)c(CN2CCOCC2)c1 642879998 FJYGCTHLBMGJJM-UHFFFAOYSA-N 301.184 1.446 10 10 DDCE Oc1c(Br)cccc1CN1CCOC[C@@H](O)C1 824624987 DGAKOPVRYLUYOL-JTQLQIEISA-N 302.168 1.348 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCC1(CF)CCOCC1 836831284 WWYHGXXBQFFMIJ-RQOWECAXSA-N 309.337 1.994 10 10 DDCE COc1ccc(N(C)CCN(C)c2cncc(C(N)=O)n2)cc1 845671772 FEVFKVZULGIEEO-UHFFFAOYSA-N 315.377 1.157 10 10 DDCE COC[C@H](CCCN)NCc1ccc(N2CCN(C)CC2)cc1 925763268 RLTUJRLVOKIRJX-KRWDZBQOSA-N 320.481 1.282 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC/C=C\CO)C2)cc1 854296501 JBXNWZULQJWDRR-XQJDBVBESA-N 305.378 1.122 10 10 DDCE CN(C)c1ccc(CNC(=O)NC2(CN)CCOCC2)cc1F 861567246 BKZBZNCAXZBHKU-UHFFFAOYSA-N 324.400 1.199 10 10 DDCE C[C@@H](NCc1ccc(N(C)C)c(F)c1)C1(S(C)(=O)=O)CC1 796492568 VBJBWZUOJNSEFX-LLVKDONJSA-N 314.426 1.947 10 10 DDCE O=C(NCCc1cccc2c1OCCO2)c1cccc(O)c1O 1156640352 AMERSYZOPSIGMS-UHFFFAOYSA-N 315.325 1.842 10 10 DDCE C[C@@H](N)c1ccc(N2CCSC[C@H]2S(C)(=O)=O)c(F)c1 90922741 GQAITCBTXCSTEW-NOZJJQNGSA-N 318.439 1.769 10 10 DDCE COc1ccc(Br)c(CNCCCCN)c1O 2214883399 VFOVAUJCDYIWIP-UHFFFAOYSA-N 303.200 1.992 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1cc([N+](=O)[O-])n[nH]1 1451950006 GUFDARNSZPOKQL-UHFFFAOYSA-N 313.273 1.502 10 10 DDCE COc1cc(CNCc2cccnc2)ccc1N1CCNCC1 212698254 CTNJGQAQJFEEDU-UHFFFAOYSA-N 312.417 1.790 10 10 DDCE CC1(NC(=O)Cc2ccc(O)c(O)c2)CCC2(CC1)OCCO2 1606980109 COFPOLOQWXEIGW-UHFFFAOYSA-N 321.373 1.832 10 10 DDCE C[C@@H](OCc1ccncc1)C(=O)NCc1cc(O)ccc1O 1471662237 UYKPHGKAJYKAIP-LLVKDONJSA-N 302.330 1.714 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2csnn2)cc1C 1483151917 BMAHABCGEXGVHI-LLVKDONJSA-N 320.418 1.763 10 10 DDCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCN(C2CCC2)C1 1637297423 AEXUGEKMIICUGM-ZDUSSCGKSA-N 318.417 1.973 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(CC(F)F)C1 1643012545 YCICXHAVGQIFTF-JTQLQIEISA-N 300.305 1.096 10 10 DDCE Cc1cnc(C2(NC(=O)Cc3ccc(O)c(O)c3)CCC2)[nH]1 1650880250 LBOOZDXBNXOPIS-UHFFFAOYSA-N 301.346 1.867 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)C2(C)CCC2)cc1C 1667870618 JRXAUCRMTYQWLQ-HNNXBMFYSA-N 320.433 1.761 10 10 DDCE CC(C)c1nnc(CNC(=O)Cc2ccc(O)c(O)c2)n1C 1598440796 MOPLZUYJOSGQFI-UHFFFAOYSA-N 304.350 1.209 10 10 DDCE COC(=O)c1sc(NC(=O)c2cc(O)c(O)c(O)c2)nc1C 1865876318 CVIANQBSSYCAEP-UHFFFAOYSA-N 324.314 1.607 10 10 DDCE CN(C)C(=O)C1(NCc2cc(Br)ccc2O)CC1 840958332 PIESKAPQZFARKX-UHFFFAOYSA-N 313.195 1.865 10 10 DDCE CN1C[C@H](N)C[C@@H]1c1cc(I)ccc1O 1952305927 FZDMGRAIPYUIGB-PSASIEDQSA-N 318.158 1.701 10 10 DDCE [N-]=[N+]=NCCN[C@]1(C(N)=O)CCCN(Cc2ccccc2)CC1 1976797741 AJWGBHJIYGGCKN-MRXNPFEDSA-N 316.409 1.797 10 10 DDCE CO[C@H]1COC[C@H]1CNCc1cc(Br)ccc1O 2036601265 CSODYAOEULOISY-MFKMUULPSA-N 316.195 1.906 10 10 DDCE Nc1ccc(CS(=O)(=O)NCCC2SCCS2)cc1 703310760 XESCYRPJKLKWDX-UHFFFAOYSA-N 318.489 1.884 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCCC[C@H]3CO)c2n1 2063824278 MODUWPPULMAUSB-JQWIXIFHSA-N 304.350 1.024 10 10 DDCE N[C@@]12C[C@@H]1CN(Cc1cc(Br)cc(F)c1O)C2 1236031583 XMCMSVURTIPKHN-PRHODGIISA-N 301.159 1.827 10 10 DDCE CN(Cc1ccccc1O)c1cc(Br)[nH]c(=N)n1 2072467714 VVGJDFIRNLZXPY-UHFFFAOYSA-N 309.167 1.994 10 10 DDCE COC1(OC)CN(c2cc(Br)c(CN)cc2F)C1 2074606191 RFDIVRHKWFMVLM-UHFFFAOYSA-N 319.174 1.856 10 10 DDCE NCc1ccc(N2CC[C@@H](O)C[C@H]2CO)c(Br)c1 2080498045 QVRBDIYGRAZSJU-WDEREUQCSA-N 315.211 1.230 10 10 DDCE Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)nc1N1CCCC1 36559174 RZMURGLKDKVASG-IJLUTSLNSA-N 320.353 1.111 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CC[C@@H]3CNC[C@H]3O2)s1 2289403326 QTJBGWMXJPCQRQ-DVVUODLYSA-N 313.448 1.248 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ncccc2C)c1 491957132 BLWGZGUVXKVPHK-SREVYHEPSA-N 310.357 1.821 10 10 DDCE CC(=O)NCCNCc1ccc(C)c(Br)c1O 2307565156 JWUSOGPYVSVZMZ-UHFFFAOYSA-N 301.184 1.689 10 10 DDCE Cc1ccc(CN2C[C@@H](O)[C@@H](CO)C2)c(O)c1Br 2327796389 GRFRLRHMDYRBAE-GHMZBOCLSA-N 316.195 1.248 10 10 DDCE Cc1ccc(CNC[C@](C)(O)C(=O)O)c(O)c1Br 2327800401 KAGLCYYOEJMGOE-LBPRGKRZSA-N 318.167 1.388 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)[C@@H](C)C(C)C)cc1C 1278165398 WNWXJTIVQSNWDC-HOCLYGCPSA-N 322.449 1.862 10 10 DDCE C[C@H](CCNCc1ccc(N2CCOCC2)cc1)[S@](C)=O 129373910 JMWSLHHLYYSCRJ-SPLOXXLWSA-N 310.463 1.770 10 10 DDCE O=c1[nH]cc(S(=O)(=O)NCc2ccccc2O)cc1Cl 228429026 PESXESLVPAISNZ-UHFFFAOYSA-N 314.750 1.212 10 10 DDCE O=C(NCCN1C(=O)CSC1=S)c1ccc(F)c(F)c1 49756693 QSDHXOVBUBYJAF-UHFFFAOYSA-N 316.354 1.555 10 10 DDCE NCc1ccc(N2CCS(=O)CC2)c(F)c1Br 231839427 WEJASMAXKFZVDY-UHFFFAOYSA-N 321.215 1.616 10 10 DDCE Cc1cccc(O[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C2)n1 238860630 KOTYUNJAMLSGBR-GFCCVEGCSA-N 315.329 1.490 10 10 DDCE CCCNCCC(=O)N1CCN(c2ccc(OC)cc2)CC1 243362482 MBDPPIVOOUXFRR-UHFFFAOYSA-N 305.422 1.734 10 10 DDCE NC[C@@H]1CCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C1 255069445 UGJURXFPIBKKEH-UYZDIKGJSA-N 315.417 1.344 10 10 DDCE CC[C@H]1C(=O)NC(=O)CN1c1ccc([C@H](C)NC)cc1Cl 251723783 SAWQLJDNQXUIQA-CABZTGNLSA-N 309.797 1.862 10 10 DDCE Cc1ccc(C(=O)NCC(C)(C)C(=O)N2CCCC2)c(O)c1O 530085758 XARPKLFMQDWCAU-UHFFFAOYSA-N 320.389 1.785 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC[C@H](O)C(F)(F)F)c1 273433967 WOGDIDSLKMMNGS-CPCISQLKSA-N 307.268 1.753 10 10 DDCE C/C=C(/C)C(=O)NC[C@H](CO)NCc1ccc(OC)c(C)c1 1507187628 ZOQJJUMLNIBWNE-HYMFSAHRSA-N 306.406 1.537 10 10 DDCE Nc1ccc(NS(=O)(=O)c2ccc(CC(=O)O)s2)cc1 2162467819 JELNALAKQWDINM-UHFFFAOYSA-N 312.372 1.758 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 808523105 JHTHLACPDJDUII-HNNXBMFYSA-N 321.348 1.882 10 10 DDCE Cn1c(C(=O)NCc2ccccc2O)c2n(c1=O)CCCC2 825659011 SUXWRYQXFKNHPE-UHFFFAOYSA-N 301.346 1.159 10 10 DDCE O=C(CC1(O)CCOCC1)NCCCSc1nccs1 906672403 YDPYRYBRRKTFOJ-UHFFFAOYSA-N 316.448 1.673 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N1CCN(c2ccccc2)CC1 586737485 KXHIZUUJFKMBOP-UHFFFAOYSA-N 314.341 1.766 10 10 DDCE CCO/C=C/C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 840590702 SWXITJSNTWPHDB-ZHACJKMWSA-N 320.389 1.804 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC(CO)C1 840485662 VXHZLHOJOQIWOI-ZDUSSCGKSA-N 305.422 1.626 10 10 DDCE COC(=O)CC(C)(C)CNC(=O)NCc1cccc(OC)c1O 924995046 SVBBAROEFVSARA-UHFFFAOYSA-N 324.377 1.789 10 10 DDCE 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CS(=O)(=O)C1(C(=O)N2CCC[C@H](N=[N+]=[N-])CC2)CCC1 2166702221 NGVPBUBFZVFQCY-JTQLQIEISA-N 300.384 1.645 10 10 DDCE COc1ccc(N2CCN(CC[C@@H]3CCNC3=O)CC2)cc1 821385373 BZAGSCIGLMMSCD-AWEZNQCLSA-N 303.406 1.343 10 10 DDCE Nc1ccc(OCCON2C(=O)COc3c(N)cccc32)cc1 821299496 LAMNOVZEQIBJPM-UHFFFAOYSA-N 315.329 1.587 10 10 DDCE CO[C@@H]1COCC[C@@H]1CC(=O)OCC(=O)c1ccc(O)c(O)c1 838007918 ACTHVIXGZHYZFW-IAQYHMDHSA-N 324.329 1.265 10 10 DDCE CNC(=O)Cn1cc(NC/C=C\c2ccc(N(C)C)cc2)cn1 835043310 SIFWLMIVGQEQOC-PLNGDYQASA-N 313.405 1.820 10 10 DDCE CN(C)c1ccc(/C=C\CNCC2CN(S(C)(=O)=O)C2)cc1 835046488 REJKWQGOURZFBY-PLNGDYQASA-N 323.462 1.247 10 10 DDCE Cc1cc(C)c(O)c(CN2CCN(c3nncn3C)CC2)c1 848496865 FWRNLKVLYUKFMF-UHFFFAOYSA-N 301.394 1.460 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CSC(=O)N1 840558000 VWTCZYPXZIQUHM-RISCZKNCSA-N 321.446 1.933 10 10 DDCE CO[C@@H](C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1)C1CCC1 852792675 ZGACKTKCGSMQBS-HZPDHXFCSA-N 305.422 1.684 10 10 DDCE CC(=O)C(=O)COC(=O)Cn1nc(C(F)F)cc1C(F)F 923998466 UTLJXXLIHWQZKP-UHFFFAOYSA-N 310.203 1.460 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC3CC2(CN)C3)cc1F 851656617 NFSAYAGQKDZRJR-UHFFFAOYSA-N 306.385 1.524 10 10 DDCE CCOCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851973076 YTHGBJVLOIUNHB-CYBMUJFWSA-N 307.394 1.610 10 10 DDCE O=C(COC(=O)[C@@H]1C[C@H]1C1CCOCC1)c1ccc(O)c(O)c1 869797316 PDMSTMQVNCIFDX-QWHCGFSZSA-N 320.341 1.886 10 10 DDCE CCn1nc(C)cc1NC(=O)C(=O)NCc1ccccc1O 861731125 QDXBXSVVSNNLGP-UHFFFAOYSA-N 302.334 1.172 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H]2CC[C@@H](C1)[S@]2=O 863057298 IXVOSGJDUHPHGF-FYPFSUSHSA-N 321.398 1.623 10 10 DDCE COC[C@@]1(C)CN(Cc2ccc(N3CCOCC3)cc2)CCO1 862551271 LCVCGKHRFQXLCV-GOSISDBHSA-N 320.433 1.761 10 10 DDCE CC(=O)C(=O)CN1C(=O)N[C@]2(CCSc3ccccc32)C1=O 871710499 OVIYBFOSXPCZDZ-HNNXBMFYSA-N 318.354 1.088 10 10 DDCE CN1CCN(Cc2cc3c(cc2O)OCO3)Cc2cccnc21 872265663 VAGATFMQLCCWBW-UHFFFAOYSA-N 313.357 1.968 10 10 DDCE COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(OC)ccc1O 895864185 PCFMDGLZGAMXOX-KBPBESRZSA-N 309.362 1.601 10 10 DDCE COc1cc(C)cc(CN[C@H]2CCN(CC(C)(C)O)C2)c1O 895417347 YONUQEXOJNVJDF-AWEZNQCLSA-N 308.422 1.644 10 10 DDCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H](C(F)(F)F)O1 1136982182 ICFADBXDHSNFKH-UFBFGSQYSA-N 319.279 1.819 10 10 DDCE O=C(c1ccc(-n2cnnn2)cc1)N1Cc2cccc(O)c2C1 1175031957 WIYOOABXUGJDOI-UHFFFAOYSA-N 307.313 1.524 10 10 DDCE C[C@H](OC[C@@H]1CCCCO1)C(=O)NCc1cccc(O)c1O 1347234410 NXUISQDKXXVIIV-AAEUAGOBSA-N 309.362 1.688 10 10 DDCE O=C(NC[C@H](CO)c1ccc(F)cc1)c1c(F)ccc(O)c1O 1457870367 ZCSYQANPVICUQI-SNVBAGLBSA-N 323.295 1.882 10 10 DDCE COc1ccccc1C(=O)C(=O)NCc1ccc(O)cc1O 1469160458 RWHMAGCUFMSWON-UHFFFAOYSA-N 301.298 1.606 10 10 DDCE O=C(CNC(=O)Cc1ccccc1)NCc1c(O)cccc1O 1472061402 OSMVPTSSNRAFAQ-UHFFFAOYSA-N 314.341 1.073 10 10 DDCE CCOC(=O)c1cc(C(=O)NCc2c(O)cccc2O)on1 1558536397 WVRNSNXKIDTMOY-UHFFFAOYSA-N 306.274 1.193 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)[C@@H](C)C2CC2)cc1C 1485984795 RVQSBTLLTJHDPX-BBRMVZONSA-N 320.433 1.616 10 10 DDCE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)Cc3ccc(O)c(O)c3)[C@@H]2C1 1558615927 KHABKQCQTROGKT-XQHKEYJVSA-N 319.357 1.344 10 10 DDCE CCO[C@H]1C[C@@](O)(CNC(=O)Cc2ccc(O)c(O)c2)C1(C)C 1635726362 QBVJRSXMWLSVOT-WMLDXEAASA-N 323.389 1.323 10 10 DDCE COc1ccc(N(C)CCN(C)C[C@H](O)C2(O)CCCC2)cc1 1654946690 AQWUDWUIBUPFBG-KRWDZBQOSA-N 322.449 1.729 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@H]1CC(c2cccnc2)=NO1 1597575010 XEAHDBQTVSSSBS-OAHLLOKOSA-N 313.313 1.302 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCCN(S(=O)(=O)C[C@@H]2CCCO2)C1 1912174059 URWBHYICTLNUME-RYUDHWBXSA-N 302.400 1.908 10 10 DDCE CNCc1ccc(N2CCOC[C@@H]2CO)c(C(F)(F)F)c1 168310865 IITILDQXFXWHQB-NSHDSACASA-N 304.312 1.622 10 10 DDCE O=C(Nc1ccc(C(=O)O)c(O)c1)c1cc(O)c(O)c(O)c1 1865876261 ZPDVBQHOYPFXEV-UHFFFAOYSA-N 305.242 1.460 10 10 DDCE CC(=O)C(=O)c1cc([N+](=O)[O-])ccc1I 1951519760 IJHTXERIBYSODZ-UHFFFAOYSA-N 319.054 1.971 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1Cl 2144166740 KNXFTWLIAZZBSM-VWYCJHECSA-N 315.822 1.874 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](O)CN[C@@H]1CCc2cccc(O)c21 1985781565 ZVNPDJTUHYHFEF-QWHCGFSZSA-N 322.405 1.855 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)cc1Cl 2145074102 RGXDYLFJGCQSLE-BHDSKKPTSA-N 314.838 1.983 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@](Oc2ccc(N)cc2)(C(N)=O)C1 1992456709 ZVXVELHYYASVDZ-MRXNPFEDSA-N 321.377 1.513 10 10 DDCE C[C@H]1C[S@](=O)CCN1c1ccc(CN)cc1Br 2004536719 BGGNBWKBZCVIQC-HUTHGQBESA-N 317.252 1.865 10 10 DDCE CCOC(=O)CCCS(=O)(=O)N1CC[C@@H](CN=[N+]=[N-])C1 2178730440 ZNDYHVDCCCROEO-JTQLQIEISA-N 304.372 1.292 10 10 DDCE C[C@](O)(CNS(=O)(=O)Cc1ccc(N)cc1)C(F)(F)F 698679055 QHNLYCGTTIIKKS-JTQLQIEISA-N 312.313 1.002 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)[C@@H]3CCN(C)[C@H](C)C3)c2n1 2062368167 YGYWBWLUMRTEPD-VXGBXAGGSA-N 317.393 1.298 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CCOC[C@H]2C(F)F)cc1 2175652723 BBDAEDLADIDWOO-NSHDSACASA-N 306.334 1.065 10 10 DDCE Nc1ccc(CS(=O)(=O)Nc2nc3c(s2)CNC3)cc1 2198508477 DUTJWLMDGFVCDJ-UHFFFAOYSA-N 310.404 1.270 10 10 DDCE Cc1cccc(CNS(=O)(=O)NC(=O)OC(C)C)c1O 2204610916 RJUSXRCGUMGXLT-UHFFFAOYSA-N 302.352 1.170 10 10 DDCE O=c1c2c(ccn1C[C@]1(Br)CC1(F)F)CCNC2 2221295234 FJJBSBAFTZLIDU-LLVKDONJSA-N 319.149 1.667 10 10 DDCE COc1ccc(N2C[C@H](OC)[C@@H](OC)[C@@H]2CO)cc1Cl 2235226418 QEKMMSZMYZDBHL-UBHSHLNASA-N 301.770 1.560 10 10 DDCE COc1ccc(N(C)CCCS(C)(=O)=O)c(C(=O)O)c1 2235954662 DQSAQFWCRGEZBV-UHFFFAOYSA-N 301.364 1.264 10 10 DDCE CCOC(=O)CC[C@H](O)CNCc1cnc(SC)s1 2269092588 JCZJETOOSXWVGL-VIFPVBQESA-N 304.437 1.659 10 10 DDCE Cc1cc(N2CCSC[C@H]2S(C)(=O)=O)ccc1[C@@H](C)N 2285124108 MCRVUXLIJVKYAU-BXUZGUMPSA-N 314.476 1.939 10 10 DDCE C[C@H]1CCN(C(=O)C=Cc2ccc(O)c(O)c2)[C@@H](C(N)=O)C1 2310376289 WSAHXVFMVIFDQA-CMPLNLGQSA-N 304.346 1.223 10 10 DDCE O=C(C=Cc1ccc(F)cc1)NCCN1C(=O)CSC1=S 2320656328 IARDUPSWFKZRQR-UHFFFAOYSA-N 324.402 1.815 10 10 DDCE OCC[C@@H](O)CCNCc1c(O)cccc1Br 2306863104 PFCUFWXARYPLJU-VIFPVBQESA-N 304.184 1.378 10 10 DDCE Cc1ccc(CNCCn2ncnn2)c(O)c1Br 2327621647 PMMVYDKOSFPYNR-UHFFFAOYSA-N 312.171 1.239 10 10 DDCE CS(=O)(=O)[C@H]1CC[C@@H](S(=O)(=O)CCCCN=[N+]=[N-])C1 2342103817 SYOIINZGHGIKTN-VHSXEESVSA-N 309.413 1.457 10 10 DDCE Cc1nnc(CN(C)Cc2ccc(N3CCOCC3)cc2)n1C 131418908 POLXUQUMWDYZFY-UHFFFAOYSA-N 315.421 1.592 10 10 DDCE CCOC(=O)COCCN1CCN(c2ccc(OC)cc2)CC1 321485210 HAYOHYWURBNXNC-UHFFFAOYSA-N 322.405 1.397 10 10 DDCE Cc1noc(C)c1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 133756051 LGLKUPKGDKCZNV-UHFFFAOYSA-N 313.291 1.706 10 10 DDCE COc1cc(Cl)c(N2CC[C@@H](CO)[C@H](N)C2)c(OC)c1 2368115565 BORWXKRKAPKQMB-JOYOIKCWSA-N 300.786 1.503 10 10 DDCE CCN(CC(=O)O)C1CC(NC(=O)NCc2ccccc2O)C1 263455204 HFDWPJSSTYODGS-UHFFFAOYSA-N 321.377 1.129 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)c1 378109446 JEAVXBCQYSOFQB-NSHDSACASA-N 316.361 1.481 10 10 DDCE CN(C)c1ccc(/C=C/C(=O)N2CCC3(C2)OCCO3)cc1 701225524 AEDDLXWMFHHPBE-VMPITWQZSA-N 302.374 1.741 10 10 DDCE COc1ccc(O)c(CNC(=O)N=c2cc[nH]cc2N(C)C)c1 801924999 XSYOGBBPSFKZMR-UHFFFAOYSA-N 316.361 1.605 10 10 DDCE OCc1ccc(N2CCS[C@@H](CO)C2)c(Br)c1 720019106 JQMLRXXSECPQJJ-SNVBAGLBSA-N 318.236 1.856 10 10 DDCE CCOc1cccc(CN2CC[C@@H](Cn3ccnn3)C2)c1O 826844938 CHTHKBIHHGSCNF-CYBMUJFWSA-N 302.378 1.905 10 10 DDCE COc1ccc(N2CCN(C(=O)c3nccnc3C)CC2)cc1 854198369 IBIQMRQJKSXNKE-UHFFFAOYSA-N 312.373 1.756 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H](CO)C3)C2)cc1 854297498 PBBFXNGKPBGYQP-KBPBESRZSA-N 319.405 1.298 10 10 DDCE COC[C@H](NC(=O)NCc1c(O)cccc1F)[C@H]1CCCO1 922253487 JKCRDEIKWIHTIQ-GXTWGEPZSA-N 312.341 1.525 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cn3cccn3)C2)cc1 855229246 LNJIYTOIXYLGNY-ZDUSSCGKSA-N 300.362 1.287 10 10 DDCE CO[C@H](C(=O)NCc1cc(C)ccc1O)C(=O)OC(C)(C)C 869411285 UBOMHYGHCIKRIZ-CYBMUJFWSA-N 309.362 1.674 10 10 DDCE CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 1116996736 VCISOQVZOXUGSN-UKRRQHHQSA-N 319.405 1.053 10 10 DDCE COC[C@]1(C(=O)OC)CCCN1Cc1cc(C)cc(OC)c1O 895313582 DBDOKCKVWSNLJH-KRWDZBQOSA-N 323.389 1.863 10 10 DDCE CCN(C)S(=O)(=O)NCc1cc(Br)ccc1O 796191462 UXXIIKAYBPRPCB-UHFFFAOYSA-N 323.212 1.441 10 10 DDCE CCN1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1=O 790816706 ABVPYGYSIIVFKS-ALCCZGGFSA-N 319.317 1.407 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3CCOC3)C2)cc1 1333591793 OQEDRFYJCJCQMV-KGLIPLIRSA-N 319.405 1.610 10 10 DDCE CN(CC(=O)NCc1cccc(O)c1O)C(=O)OC(C)(C)C 1347232930 DKEBFUIMGUNDEL-UHFFFAOYSA-N 310.350 1.581 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)C(F)(F)F)cc1 1447648403 FYUZONFCINJKCQ-MRVPVSSYSA-N 304.228 1.502 10 10 DDCE Cc1ccc(C(=O)NCc2coc(CN(C)C)n2)c(O)c1O 1529127934 CNDUCYFEJJRGPV-UHFFFAOYSA-N 305.334 1.386 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@@H]2CO[C@H](C)C2)cc1C 1714726028 BMMMUIILZHPRLI-ZBFHGGJFSA-N 320.433 1.977 10 10 DDCE O=C(NCc1cccc(Br)c1O)c1cc(=O)cc[nH]1 1626821782 GARNSTCLRMVFDF-UHFFFAOYSA-N 323.146 1.773 10 10 DDCE CC(C)[C@H](NC(N)=O)C(=O)NCc1ccc2cccnc2c1O 1630533090 VBSSSWPSOQWUEJ-LBPRGKRZSA-N 316.361 1.250 10 10 DDCE COC(=O)c1occc1CNC(=O)c1ccc(C)c(O)c1O 1645661730 FIKSSLKIMQQFPX-UHFFFAOYSA-N 305.286 1.716 10 10 DDCE O=C(COCCc1ccccc1)NCc1cc(O)ccc1O 1651222607 KIMHBNDGXMZIGT-UHFFFAOYSA-N 301.342 1.973 10 10 DDCE CC(=O)C(=O)[C@]1(O)CCC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1919248970 JBIGDIVRTURZKB-WQGACYEGSA-N 311.378 1.543 10 10 DDCE CCOc1cccc(CN[C@H](CC)CS(C)(=O)=O)c1O 1967830294 LMBZJXGHMVCTIK-GFCCVEGCSA-N 301.408 1.704 10 10 DDCE NCc1ccc(N2CC(OCCO)C2)c(Br)c1 1946921801 WHOLPSMPHLBMDS-UHFFFAOYSA-N 301.184 1.105 10 10 DDCE COc1cc(Cl)cc(CNC[C@@H]2OCCO[C@H]2C)c1O 2143725584 KNVKXRSFDHCACL-ZANVPECISA-N 301.770 1.948 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)c1ccc(O)c(O)c1 1982313256 HZHLCSRKQXAROK-MNOVXSKESA-N 322.361 1.741 10 10 DDCE CC(C)(C)CCS(=O)(=O)NCCc1ccc(O)c(O)c1 2148015525 JGPUXZIAHMMFET-UHFFFAOYSA-N 301.408 1.996 10 10 DDCE O=C1CC[C@H](CNCc2cc(Br)ccc2O)CN1 2041473587 AYUCTEBGRZSBET-SECBINFHSA-N 313.195 1.771 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)c1ccc([C@@H](C)O)c(O)c1 2170553957 LUEJADKLEYUJAB-WDEREUQCSA-N 301.408 1.705 10 10 DDCE O=c1nc(CCNCc2cccc(Br)c2O)[nH]o1 392245571 QSWUNRCVRCKUPT-UHFFFAOYSA-N 314.139 1.163 10 10 DDCE NC(=O)N1CC[C@@H](NCc2cccc(Br)c2O)C1 393260902 KUKIWDIPGHCJAP-SECBINFHSA-N 314.183 1.397 10 10 DDCE COCn1nccc1S(=O)(=O)Nc1ccc(O)c(F)c1 2174003333 UIMLUDVWEJYYFC-UHFFFAOYSA-N 301.299 1.133 10 10 DDCE COc1ccc([C@H](C2CC2)n2nc(C)c(C(N)=O)c2N)c(O)c1 2079959265 ZXDQJFXJXRDAIL-AWEZNQCLSA-N 316.361 1.586 10 10 DDCE CC[C@@H](C(N)=S)S(=O)(=O)N(C)[C@@H](C)c1ccccc1O 2192598606 QUGWPMQCLVDYFW-CABZTGNLSA-N 316.448 1.780 10 10 DDCE C[C@H]1CC[C@@](COc2nnc(=N)[nH]n2)(NC(=O)OC(C)(C)C)C1 2210649232 GDALWKFMHIXTDY-LKFCYVNXSA-N 324.385 1.141 10 10 DDCE Nc1ccc(OC[C@@H](O)Cn2nc(Cl)nc2Cl)cc1 2265041592 KCTZSKACMRZNNF-QMMMGPOBSA-N 303.149 1.607 10 10 DDCE CSc1ncc(CNC(=O)[C@]23CCC[C@@]2(F)CNC3)s1 2284495763 CCVZCGZVWOWDSC-CHWSQXEVSA-N 315.439 1.963 10 10 DDCE CSc1ncc(CN=c2[nH]c(OC(C)C)nc(=N)[nH]2)s1 2284718654 FDNCZMIJFFVHQO-UHFFFAOYSA-N 312.424 1.284 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)C=CCN(C)C)cc1 2297716320 JSYGEFVHUYJTNV-UHFFFAOYSA-N 305.422 1.708 10 10 DDCE O=C1Nc2cc(N3C[C@@H](F)[C@H](CO)C3)c(Cl)cc2[C@@H]1O 2355617613 QHNPJRUYILMVQT-RMUHFYJVSA-N 300.717 1.092 10 10 DDCE C[C@H](NC[C@@H]1CCCS1(=O)=O)c1ccc(F)c(F)c1O 187797103 OZPKBFDIQCNPCE-IUCAKERBSA-N 305.346 1.898 10 10 DDCE O=C(NCc1ccc2c(c1)OCO2)Nc1cc(O)c(O)c(O)c1 217278681 NRCOYCDGRUISEU-UHFFFAOYSA-N 318.285 1.854 10 10 DDCE COC[C@H](O)[C@H](N)c1c(Cl)ccc(Br)c1O 95805053 QCEKOZWEMKHOAB-CBAPKCEASA-N 310.575 1.815 10 10 DDCE Nc1nc(O)nc(O)c1N=Nc1ccc(S(=O)(=O)O)cc1 254527247 VFZHMTWNDMLPHO-UHFFFAOYSA-N 311.279 1.132 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@H]3COC[C@@H](C2)O3)cc1 800913131 BTSKPKKPLBJYBX-GASCZTMLSA-N 305.378 1.062 10 10 DDCE NC(=S)C[C@@H](NC(=O)c1cccc(O)c1O)C(F)(F)F 2164545421 WRBMRHFSRCPTIX-SSDOTTSWSA-N 308.281 1.435 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CCN(C)CC1 291676825 MMEVWPSQYDEERF-LBPRGKRZSA-N 306.406 1.877 10 10 DDCE Cn1cncc1/C=C1/OCCn2c1nc(Br)c2C=O 901574497 HBHGVSVIBLVUQS-ONNFQVAWSA-N 323.150 1.720 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCCC[C@@H]1c1nc[nH]n1 588407904 UEVPIUGAQZXTNI-SMYYYNMVSA-N 314.345 1.983 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@@H](CO)c2ccnn2C)cc1 839178514 CTRUQJPSAITIGZ-AWFCHZOYSA-N 300.406 1.823 10 10 DDCE C/C=C/[C@H](O)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 913481845 BEVQFOLOUOXYBG-RGDDUWESSA-N 320.389 1.289 10 10 DDCE CC(C)CN(C)CCCNC(=O)C(=O)Nc1ccc(N)cc1 846321397 PYBOFVUYJSCMMA-UHFFFAOYSA-N 306.410 1.301 10 10 DDCE C[C@H](NC[C@H](O)CS(C)(=O)=O)c1cc(Cl)ccc1O 927027271 STYTWWPQCYGTAQ-WPRPVWTQSA-N 307.799 1.102 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)CCN)C2)cc1 851662203 CGIUTJVXSJIJDG-STQMWFEESA-N 306.410 1.310 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc2c(c1)nc(O)n2C1CC1 850250941 HWXIMAWCYPKZIV-UHFFFAOYSA-N 302.286 1.392 10 10 DDCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)c1cnc[nH]1 864949701 MRDXNRGSRSNXSW-MRXNPFEDSA-N 316.405 1.946 10 10 DDCE Cc1ccc(CNC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(O)c1 877075392 BDIUQMCMLJRKPV-CXAGYDPISA-N 317.389 1.511 10 10 DDCE CC(C)[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 778008744 IOCDQONUTWCNOW-CQSZACIVSA-N 321.333 1.787 10 10 DDCE 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CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CCCCNC1=O 1626334625 WYSSPSPXOAPBLH-GFCCVEGCSA-N 317.349 1.590 10 10 DDCE CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1O 1556191823 SBFUYUXUGYCHNC-ZDUSSCGKSA-N 314.341 1.185 10 10 DDCE COc1cccnc1CNC(=O)/C=C\c1ccc(O)c(O)c1 1557040372 ZFEJOVQBZUHXGN-ALCCZGGFSA-N 300.314 1.831 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cc([N+](=O)[O-])ccc1O 1626837890 JEAIUWLXMOMAFB-UHFFFAOYSA-N 304.258 1.642 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)[C@H](C)CC(N)=O)cc1C 1491545422 BORWNCQZPYQGAU-CHWSQXEVSA-N 321.421 1.109 10 10 DDCE COC(=O)c1ccn(CC(=O)NCc2cc(Cl)ccc2O)n1 1639969111 SOCOHRPDFDDTJE-UHFFFAOYSA-N 323.736 1.345 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H](CO)CC(F)F)cc1 1567521998 RQIOLPXPUWRFMX-SECBINFHSA-N 300.265 1.595 10 10 DDCE Cn1ccnc1[C@H](NC(=O)c1cccc(O)c1O)C(F)(F)F 1653997587 PJJRCXVFMQDURG-JTQLQIEISA-N 315.251 1.865 10 10 DDCE Cn1cnc2cncc(C(=O)NCc3c(O)cccc3F)c21 1652298709 NXNIXRMNRHNSED-UHFFFAOYSA-N 300.293 1.743 10 10 DDCE Cn1cc(C(=O)NCc2c(O)ccc3ccccc23)n(C)c1=O 1597743061 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CC(C)(C)OC(=O)N1CC[C@](C)(CCOc2nnc(=N)[nH]n2)C1 2210644878 DNUHRQVZYHFHQS-CQSZACIVSA-N 324.385 1.095 10 10 DDCE COc1cc(OC)c(N2CCO[C@H]([C@H](C)O)C2)cc1Cl 2285877533 SNBBJQNBVXYAJG-XPTSAGLGSA-N 301.770 1.943 10 10 DDCE CSc1ncc(CNC(=O)C[C@@H]2COCC[C@@H]2N)s1 2269089286 BAGXPSKJVIRWNO-SCZZXKLOSA-N 301.437 1.235 10 10 DDCE COC(=O)C1=C(C)NC(=O)C1=Cc1cccc(OC)c1OC 2296374314 WTDMCNXHWZDIAL-UHFFFAOYSA-N 303.314 1.664 10 10 DDCE CN1CCN(C=C2SC(=S)N(Cc3ccco3)C2=O)CC1 2296535435 DMXNVRAHMOCCRX-UHFFFAOYSA-N 323.443 1.729 10 10 DDCE Cc1ccc(CN2C[C@H](O)[C@H](F)C2)c(O)c1Br 2307565445 NOUQSDLGATYXPI-ZJUUUORDSA-N 304.159 1.978 10 10 DDCE Cc1ccc(CNC(=O)CCON)c(O)c1Br 2307568087 ZZQMYZUMLGQIHW-UHFFFAOYSA-N 303.156 1.360 10 10 DDCE CC(C)S(=O)(=O)N(C)Nc1nc2ccc(N)cc2s1 2339767652 GHNTWDSNFTWZEN-UHFFFAOYSA-N 300.409 1.875 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCN(c3cccnn3)CC2)c1 170914736 WHRMXGKAIFLRDT-UHFFFAOYSA-N 315.333 1.413 10 10 DDCE CC(=O)N(C(=O)C(=O)N1C[C@@H](C)C[C@@H](C)C1)c1ccc(N)cc1 170318490 DBXNJTWMSVRSEZ-TXEJJXNPSA-N 317.389 1.653 10 10 DDCE CC[C@@H](CSC)N(C)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 123960700 MGZKXCAUODJMTE-RYUDHWBXSA-N 312.435 1.568 10 10 DDCE CCCS(=O)(=O)N(C)N[C@H](C)c1cc(OC)ccc1O 2365342127 WCPZNHFDBRDTFJ-SNVBAGLBSA-N 302.396 1.638 10 10 DDCE COc1cc(O)c(CN2CCN(C[C@@H](C)O)[C@H](C)C2)cc1OC 180084737 XUTMXPJKWTUYDY-CHWSQXEVSA-N 324.421 1.296 10 10 DDCE CN(CCC(=O)O)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 606441315 HDBHMKGBPJHROL-DAXSKMNVSA-N 318.373 1.470 10 10 DDCE C[C@H]1CN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1=O 275246373 PNJCMLLNWBVDAK-AWEZNQCLSA-N 317.433 1.622 10 10 DDCE COC(=O)C(C)(C)CS(=O)(=O)Nc1ccc(O)c(OC)c1 288120741 CSKOYXOCORXMME-UHFFFAOYSA-N 317.363 1.342 10 10 DDCE Cc1cc(C)c([C@@H](C)NC[C@@]2(CO)COCCN2C)c(O)c1 903281587 YOEWUZYZUMBPBM-RHSMWYFYSA-N 308.422 1.353 10 10 DDCE COc1c(C(=O)NCc2ccc(N3CCCC3)cc2)cnn1C 839525777 XJIDZJMYRUYOOB-UHFFFAOYSA-N 314.389 1.959 10 10 DDCE COC(=O)CC1(NCc2ccc([N+](=O)[O-])c(OC)c2O)CC1 846026834 GYWAGHNSTVZUTR-UHFFFAOYSA-N 310.306 1.494 10 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O=C(NC[C@@H](O)C(F)(F)F)c1cc2cc(O)c(O)cc2s1 896819538 VGZBHPMCIYHTJP-SNVBAGLBSA-N 321.276 1.966 10 10 DDCE O=C1N(CCNCc2cc(F)ccc2O)C[C@H]2CCCCN12 895340744 BNKQNIUTEPKPFI-CQSZACIVSA-N 307.369 1.911 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1CN([C@@H]2CCOC2)C1 895485500 VXGINPBMHCRGJS-QGZVFWFLSA-N 317.433 1.432 10 10 DDCE C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)c1ccccc1O 1151885702 CSUKMBJKHQHDGQ-MRVPVSSYSA-N 310.331 1.124 10 10 DDCE CN1CCN(c2ccc(CN[C@@H]3CCCN(C)C3)cc2F)CC1 1318368041 PNRMRDFOIWCIPR-MRXNPFEDSA-N 320.456 1.761 10 10 DDCE CN1CCN(c2ccc(CNC[C@@H]3CCCN3C)cc2F)CC1 1329066016 DEQZESNYNSKVIK-INIZCTEOSA-N 320.456 1.761 10 10 DDCE O=C(N[C@H]1CCC[C@@H]1N1CCC(O)CC1)c1cc(O)cs1 1347942038 FOIHNQPNYUPXCL-STQMWFEESA-N 310.419 1.561 10 10 DDCE O=C(N[C@H](CO)[C@H]1CCOC1)c1cc2cc(O)c(O)cc2s1 1624232481 KXQBOSAQDYCOQY-WCBMZHEXSA-N 323.370 1.440 10 10 DDCE Cc1ccc([C@H](O)CNC(=O)Cc2ccc(O)c(O)c2)cc1 1556382533 LLDXVPZQYLQFSR-MRXNPFEDSA-N 301.342 1.799 10 10 DDCE CS[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1N(C)C 1624322596 GBYDCYJRBWYCDO-BXUZGUMPSA-N 310.419 1.144 10 10 DDCE CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCN2CCO[C@H]1C2 1556735192 CJGLQTAPLQIAMB-TWPIFRAZSA-N 318.373 1.043 10 10 DDCE C[C@@H]1CN(c2ccc(CN)cc2Br)C2(CC2)C(=O)N1 2132026724 XSJVTLOQFMJDRJ-SECBINFHSA-N 324.222 1.765 10 10 DDCE C[C@H](CC(N)=O)N(C)Cc1c(O)cccc1Br 1946083342 IFYJKPYDLYPPRO-MRVPVSSYSA-N 301.184 1.850 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)c1ccc(O)c(O)c1 1984416118 VFPDFYIBBBFQMP-MNOVXSKESA-N 322.361 1.741 10 10 DDCE CCC(O)(CC)CN(C)S(=O)(=O)Cc1ccc(N)cc1 706390737 LWPCZULZDXYTEM-UHFFFAOYSA-N 300.424 1.582 10 10 DDCE CC[C@@H]1CN(CC)CCN1C(=O)c1cnn2c(O)cc(C)nc12 2062334902 RZMBJCHDPLSSMR-GFCCVEGCSA-N 317.393 1.300 10 10 DDCE CCC[C@H]1CN(C(=O)c2cnn3c(O)cc(C)nc23)CCO1 2064880654 RGVAMVWLCWGACO-NSHDSACASA-N 304.350 1.384 10 10 DDCE Cc1nc(O)sc1S(=O)(=O)N[C@H](C)c1ccccc1O 2192622845 CAVSGKWODXIQOR-SSDOTTSWSA-N 314.388 1.902 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1Br 2043130136 WUPXFYQXGNHGDP-MIMYLULJSA-N 315.211 1.401 10 10 DDCE Cn1c(C2=C[C@H](O)[C@@H](N)C2)nc2c(Br)cccc21 2067758042 TZVVYYXLTCMFAY-ONGXEEELSA-N 308.179 1.811 10 10 DDCE O=c1c2c(ccn1Cc1ncccc1Br)CCNC2 2094406444 GEDWIMGBHYUNBX-UHFFFAOYSA-N 320.190 1.700 10 10 DDCE CCCS(=O)(=O)CCNCc1cc(Cl)cc(OC)c1O 2204664501 MKXHBCHCAGKGRX-UHFFFAOYSA-N 321.826 1.969 10 10 DDCE O=C(Nc1cnccc1Br)c1cc(O)nc(O)c1 2264155139 FRHBLGBRTMHVHO-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2cc(CN)co2)s1 2269277254 BRWOITYDMUNGKC-UHFFFAOYSA-N 319.433 1.395 10 10 DDCE CC1(C)OCCN(c2cc(Cl)c(CN)cc2F)[C@H]1CO 2282814254 LMGORESFORRSMZ-ZDUSSCGKSA-N 302.777 1.914 10 10 DDCE Cc1ccc(CNCC[C@@H](O)CCO)c(O)c1Br 2327801096 PQNGGPHELIXCBP-LLVKDONJSA-N 318.211 1.686 10 10 DDCE CN1C(=O)NC(=O)/C(=C/NC23CC4CC(CC(C4)C2)C3)C1=O 100264381 IWGJKVJSBDWAPH-WQLSENKSSA-N 303.362 1.137 10 10 DDCE COCCN1[C@H](C)CN(Cc2cc([N+](=O)[O-])ccc2O)C[C@H]1C 178981586 XJVDEWJWICLIIU-CHWSQXEVSA-N 323.393 1.841 10 10 DDCE COc1cccc(CNC(=O)c2cnn3c2CCCC3)c1O 128331124 VIEZZXUGLGLJCK-UHFFFAOYSA-N 301.346 1.864 10 10 DDCE Cc1cc(N2CCN(Cc3ccccc3O)CC2)n2ncnc2n1 179566510 AKEQCWDQAUGMKW-UHFFFAOYSA-N 324.388 1.461 10 10 DDCE CN1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)CCC1=O 128676747 WWXQYWDZZTZKPT-CQSZACIVSA-N 318.421 1.515 10 10 DDCE Cn1cc([C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)cn1 181092924 JCWIVYXXDLCMHC-MASHWEEQSA-N 313.357 1.861 10 10 DDCE N[C@H](CO)c1cc([N+](=O)[O-])c(Br)c(Cl)c1O 72199855 FXLVSAUCVALCAO-SCSAIBSYSA-N 311.519 1.708 10 10 DDCE COC(=O)[C@H](C)CS(=O)(=O)Nc1cc(C)c(O)c(C)c1 2366467654 FOUWMPJDCVMYAD-SNVBAGLBSA-N 301.364 1.560 10 10 DDCE COc1cc(Cl)c(N2CC[C@@H](O)C[C@@H]2CO)c(OC)c1 2368287370 GYERNKGZMKVNKV-NXEZZACHSA-N 301.770 1.679 10 10 DDCE CCNS(=O)(=O)[C@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 92304554 IHXDDENPEGCBGG-HNNXBMFYSA-N 324.446 1.395 10 10 DDCE C[C@H](O)CN1CCN(Cc2cc([N+](=O)[O-])ccc2O)C[C@H]1C 247439819 ZSKMCRHXGDCBOW-NEPJUHHUSA-N 309.366 1.187 10 10 DDCE Cc1cccc(CN2CCC(CNS(C)(=O)=O)CC2)c1O 289581983 TZNYHOMXWPPLIR-UHFFFAOYSA-N 312.435 1.462 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(C)n(-c2nccs2)c1C 808501964 YVLHIRPJUQVTQH-UHFFFAOYSA-N 306.343 1.866 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 808532118 KHURASQYRYDHFD-UHFFFAOYSA-N 317.257 1.095 10 10 DDCE COC[C@](C)(O)CCNCc1ccc([N+](=O)[O-])c(OC)c1O 824559324 PEJMUERGCXJIMS-CQSZACIVSA-N 314.338 1.186 10 10 DDCE CCOc1ccc(CNCC(=O)NCc2ccco2)c(O)c1 725845075 IVAVQCVDZAHJNM-UHFFFAOYSA-N 304.346 1.790 10 10 DDCE COc1cccc(O)c1CN1CCC(N2CC[C@H](O)C2)CC1 827699667 LDICHPSNZNBHMD-AWEZNQCLSA-N 306.406 1.432 10 10 DDCE CCc1nnc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)o1 838030075 UBXLRBSNIURCOJ-UHFFFAOYSA-N 321.356 1.837 10 10 DDCE OCC1CCN(c2ccc(CNCc3cn[nH]c3)cc2)CC1 749922261 YURAGOXJNYFHJJ-UHFFFAOYSA-N 300.406 1.908 10 10 DDCE CN(C)c1cc(F)c(CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)cc1F 922724213 CAMGGRHMPLCKAE-WQGACYEGSA-N 312.360 1.924 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccccc1[S@@](=O)C(F)(F)F 924415239 SVPRYDPAPYAGMV-OAQYLSRUSA-N 322.260 1.629 10 10 DDCE COc1ccc(CNC(=O)NCCO[C@@H]2CC2(F)F)c(O)c1 852528202 QRCABGXJNSVDLD-GFCCVEGCSA-N 316.304 1.624 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCCN3)C2)cc1 852843713 FNCATCMMHSMKLY-KGLIPLIRSA-N 303.406 1.532 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](O)[C@@H]2CCCO2)c1 858469783 SNUUYJPEMXCNME-VQISRLSMSA-N 309.362 1.369 10 10 DDCE CCOC(=O)C1=CC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 862879191 RITSVMJYAHMGNQ-IBSXUBTNSA-N 317.341 1.879 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cn3cncc3C)C2)cc1 862158246 FITUQMOGWTXSFR-CQSZACIVSA-N 314.389 1.595 10 10 DDCE COc1ccc(N2CCC(NCC3(N)CCOCC3)CC2)cc1 863481223 COPUDJFEPZDIQP-UHFFFAOYSA-N 319.449 1.762 10 10 DDCE CCOc1ccc(CN(C)C[C@H]2CCS(=O)(=O)C2)c(O)c1 769469245 UYSNNHZTLQWWHC-GFCCVEGCSA-N 313.419 1.657 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)CC1CS(=O)(=O)C1 866600830 HSEGNYONOOGRFE-UHFFFAOYSA-N 311.403 1.566 10 10 DDCE COc1ccc(O)c(CN[C@@H]2CCN(C3CCOCC3)C2=O)c1 776229709 AQECIJQACUNKMD-OAHLLOKOSA-N 320.389 1.270 10 10 DDCE CN(C)c1ccc(CNc2ccnc(N3CCOCC3)n2)cc1 779427988 JTIQPVNWIRHDMF-UHFFFAOYSA-N 313.405 1.991 10 10 DDCE O=C1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1ccc(O)c(O)c1 1138159701 GGYBQJFNGWRTSC-CHWSQXEVSA-N 319.357 1.237 10 10 DDCE COc1cc(NS(=O)(=O)c2cn(C(C)C)cn2)ccc1O 797820004 AWRWNGAEYZNRMZ-UHFFFAOYSA-N 311.363 1.979 10 10 DDCE CC(C)(C)OC(=O)N[C@](C)(C(=O)NCCN=[N+]=[N-])C(F)F 1885563677 YNZURCFMBZBNAO-NSHDSACASA-N 307.301 1.961 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@H]2COC[C@H]2O)c(Br)c1 709334997 XBNGPWFAGKJVJL-AQUOVQTQSA-N 315.211 1.665 10 10 DDCE C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCc1cccc(O)c1O 1347234413 NXUISQDKXXVIIV-YPMHNXCESA-N 309.362 1.688 10 10 DDCE O=C(O)/C=C\c1ccc(N2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 1346114507 ZQMAFGQXYNDCSQ-LSYFEZSPSA-N 304.302 1.654 10 10 DDCE Cn1c(CNC(=O)Cc2ccc(O)c(O)c2)nnc1C1CCC1 1446757615 RXKFPKZXXYHHQH-UHFFFAOYSA-N 316.361 1.353 10 10 DDCE CC(=O)N(C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1701587837 BJUBXWMVCDCJCP-SECBINFHSA-N 305.338 1.446 10 10 DDCE CO[C@@H](C)CN[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1480600745 FFBDKSPVLIGNCZ-QWRGUYRKSA-N 321.381 1.592 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H](S(C)(=O)=O)C2)c(Cl)c1 2123338623 ZBTIYPJJIHUYCT-MWLCHTKSSA-N 302.827 1.983 10 10 DDCE COc1c(C(=O)NCc2ccc3cccnc3c2O)cnn1C 1638573200 MVYDNYKMWZHFGO-UHFFFAOYSA-N 312.329 1.613 10 10 DDCE COC(=O)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C 1634205679 UMNWSSFLSRTIIH-JOYOIKCWSA-N 318.333 1.873 10 10 DDCE COc1ccc(CN[C@H](C)CN(C)C(=O)c2ncc[nH]2)cc1C 1571385355 GIEYAUFGJAMFSV-CYBMUJFWSA-N 316.405 1.977 10 10 DDCE NCc1ccc(N2CCN(CCO)CC2)c(C(F)(F)F)c1 163679732 JHGDTPKKFOQNIN-UHFFFAOYSA-N 303.328 1.278 10 10 DDCE C[C@H](NCc1ccccc1O)C1(O)CN(C(=O)OC(C)(C)C)C1 1918701828 KNJWDLGKDJSMIJ-LBPRGKRZSA-N 322.405 1.852 10 10 DDCE Cc1ccc(O)c(CNCc2c(Br)nnn2C)c1 1967833925 GLECXDFNPZDHKS-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE NC(=O)CCN(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@H]2N 1946831888 FFYPZPBIMBSJNL-KRWDZBQOSA-N 324.384 1.521 10 10 DDCE CC(C)(C)OC(=O)NC1CN(C(=O)NCC2(CN=[N+]=[N-])CC2)C1 1985101899 ZFUJLAFVTABVLH-UHFFFAOYSA-N 324.385 1.995 10 10 DDCE CO[C@H]1CN(Cc2c(O)cccc2Br)C[C@@H]1N 2009269434 JHQHITHLFPULCV-JQWIXIFHSA-N 301.184 1.313 10 10 DDCE C[C@@H](CCS(C)(=O)=O)N(C)c1ccc(CN)c(F)c1F 2160735442 HIJMOUKEVZZBNB-VIFPVBQESA-N 306.378 1.683 10 10 DDCE CNCc1ccc(OC)c(C[S@@](=O)CC[S@@](C)=O)c1 319841087 DTUFOWSCVPRALC-MOPGFXCFSA-N 303.449 1.042 10 10 DDCE CNCc1ccc(N2CC(NC(C)=O)C2)c(Br)c1 388167833 LDBZHMHZIWWIOQ-UHFFFAOYSA-N 312.211 1.493 10 10 DDCE CNCc1ccc(N2CCOC[C@H](O)C2)cc1Br 399985879 MWTMJHDNKKIMTK-GFCCVEGCSA-N 315.211 1.366 10 10 DDCE COc1cccc(Cn2ncc(S(C)(=O)=O)c2Cl)c1O 2070244654 JQSUNDAXNISTKL-UHFFFAOYSA-N 316.766 1.703 10 10 DDCE O=C(NC1CC1)c1cnn(Cc2cccc(Cl)c2O)c1O 2070506548 YECOWQGCSAHHMT-UHFFFAOYSA-N 307.737 1.888 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(Br)c1 2068407594 SUONMUHHRJQLDK-WQHBLYJGSA-N 316.195 1.434 10 10 DDCE COc1nscc1S(=O)(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2225799774 MAESNFOGWLJUAR-BQBZGAKWSA-N 303.369 1.661 10 10 DDCE CP(C)(=O)C1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2270650656 MPEBNYKTKMMKQK-UHFFFAOYSA-N 302.336 1.406 10 10 DDCE Cc1ccc(CN2CCO[C@H](CO)C2)c(O)c1Br 2327628329 GWNNVMPTUKQAJS-NSHDSACASA-N 316.195 1.656 10 10 DDCE COc1cc2c(cc1OC)N(CCCN)CC1(CCNCC1)N2 75280785 QRTQDNVTDMWBTD-UHFFFAOYSA-N 320.437 1.407 10 10 DDCE Cc1cc(O)ccc1NS(=O)(=O)N1CCCC[C@H]1C(=O)O 80357573 BQKIUCQMAPLKEV-LBPRGKRZSA-N 314.363 1.296 10 10 DDCE COC(=O)[C@H](C1CC1)S(=O)(=O)Nc1ccc(O)c(Cl)c1 2167065720 OWBAFJZBJLFWPL-NSHDSACASA-N 319.766 1.739 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H]3CO4)c(Br)cc21 718364877 RKEBZUMGUUJZOA-WSFZALMZSA-N 324.178 1.379 10 10 DDCE CCNS(=O)(=O)CCNC/C=C/c1ccc(N(C)C)cc1 835038083 SSVXHCYUMGMQSW-AATRIKPKSA-N 311.451 1.295 10 10 DDCE CN1CCN(c2ccc(CNC3CC(N(C)C)C3)cc2)CC1 848557035 GHEKHKPDCSTIBW-UHFFFAOYSA-N 302.466 1.621 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)CCO)C2)cc1 853771572 ZETJASGBPUSEPE-QWHCGFSZSA-N 307.394 1.344 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CNCC3CC3)C2)cc1 852843639 DDSXLWUNSLNKHI-AWEZNQCLSA-N 303.406 1.390 10 10 DDCE COc1ccc(N2CCN(CCO[C@H]3CCOC3)CC2)cc1 929152666 CQPPFQNRSRVMHI-KRWDZBQOSA-N 306.406 1.623 10 10 DDCE CCOc1ccc(CN[C@@H](C[C@@H]2CCCO2)C(=O)OC)c(O)c1 895864605 QGGRDVXKFKLRAC-ZFWWWQNUSA-N 323.389 1.991 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CN(CCCN=[N+]=[N-])[C@@H]2COC[C@H]12 1962299680 NFPNAQVQBOPYBI-IJLUTSLNSA-N 311.386 1.911 10 10 DDCE C[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H]1C 1329419809 NIQKQYRZJWUASH-RYUDHWBXSA-N 302.374 1.881 10 10 DDCE COCCNCC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1320653013 QZYADCMELYMGRQ-LLVKDONJSA-N 321.381 1.593 10 10 DDCE COC(C)(C)CN(C)C(=O)C(=O)N1Cc2cccc(O)c2C1 1330477813 JOLPPDLJMZGYCC-UHFFFAOYSA-N 306.362 1.118 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1nnn(C)n1 1352615950 UUYKOHRBNSFDEG-UHFFFAOYSA-N 300.366 1.083 10 10 DDCE COC(=O)[C@@H]1CN(C(=O)/C=C/c2cn(C)cn2)c2ccccc21 1531448311 GIJGZYFEAVXJBG-HSBSLETESA-N 311.341 1.737 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](N2CCCC2)C1 1543151341 CWRDSSRDPOFFED-AWEZNQCLSA-N 304.390 1.727 10 10 DDCE COCCn1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1=O 1542498397 XMKTWRHSVUCWQK-UHFFFAOYSA-N 318.329 1.087 10 10 DDCE COC(=O)Cc1sccc1C(=O)NCc1cccc(O)c1O 1558162153 WARLEFVVBPCXCN-UHFFFAOYSA-N 321.354 1.805 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](O)c1cnn(C)c1 1565701759 LWHYTYHOWNORTH-HNNXBMFYSA-N 302.378 1.144 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@@H]1CC(c2ccccc2)=NO1 1638351934 JAYOEFUPGLYIIH-INIZCTEOSA-N 312.325 1.907 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1nccnc1Cl 1568852699 LKLJOOVJKQHKHC-RQOWECAXSA-N 305.721 1.871 10 10 DDCE COc1cccc(COCC(=O)NCc2ccc(O)cc2O)c1 1638352735 WACHAECSSALCIN-UHFFFAOYSA-N 317.341 1.939 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc2c(c1)OCCO2 1643879407 OIIXIVNOCNNJQB-UHFFFAOYSA-N 301.298 1.799 10 10 DDCE Cn1ncc(C(=O)NCc2c(O)cccc2O)c1-n1cccc1 1652623605 XIKLWDZEXUXSNX-UHFFFAOYSA-N 312.329 1.552 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2ccon2)cc1C 1662175408 VNYSMIZYHNVHID-GFCCVEGCSA-N 303.362 1.900 10 10 DDCE COc1ccc(N2CCN(CCOC(=O)CC(C)=O)CC2)cc1 165856400 SCLZYPRMBPHZBT-UHFFFAOYSA-N 320.389 1.340 10 10 DDCE COCCOCCN[C@H](C)c1ccc(N2CCC(O)CC2)cc1 153990950 GBJFEIHUMREWIV-OAHLLOKOSA-N 322.449 1.961 10 10 DDCE O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)N1CC(O)C1 1914118270 ZHOPGUHSIIGHBL-UHFFFAOYSA-N 313.162 1.032 10 10 DDCE CNCc1ccc(N(CCO)C2COC2)cc1Br 1915504029 APWNMINMTXAOLV-UHFFFAOYSA-N 315.211 1.366 10 10 DDCE COCCNCc1ccc(N2C[C@H](F)[C@H](O)C2)cc1Cl 2149257750 LZBCDNNQLHJNQP-UONOGXRCSA-N 302.777 1.595 10 10 DDCE C[C@H](NS(=O)(=O)CCOc1ccc(N)cc1)C1CSC1 2146090498 WXBDSYBCKPBCET-JTQLQIEISA-N 316.448 1.319 10 10 DDCE N[C@@H]1CC(CN2CCc3c(Br)cccc32)=C[C@H]1O 2067770919 YCWZBCRZJCQFET-TZMCWYRMSA-N 309.207 1.830 10 10 DDCE CC(C)(C)OC(=O)NC1(CCCOc2nnc(=N)[nH]n2)CCC1 2210644691 QKKFWECRNWOJCQ-UHFFFAOYSA-N 324.385 1.286 10 10 DDCE COC(=O)CCN(CC(=O)O)Cc1ccc(Cl)cc1O 2201045000 OUQQUTFNSGPQCV-UHFFFAOYSA-N 301.726 1.495 10 10 DDCE COc1ccc(Br)c(CN2CC[C@@H]2CN)c1O 2214882299 DLISQSRIRYITAM-MRVPVSSYSA-N 301.184 1.696 10 10 DDCE CCS(=O)(=O)CNC(=O)N(C)[C@@H](C)c1ccccc1O 2233893506 PTFAKNPCYPKYGY-JTQLQIEISA-N 300.380 1.487 10 10 DDCE C[C@H](N)c1ccc(N2CC3(CCC(=O)N3)C2)cc1Br 2229698949 GTLHFACPCSTPBN-VIFPVBQESA-N 324.222 1.938 10 10 DDCE CN(C)S(=O)(=O)[C@@H]1CCN(c2ccc(CO)cc2Cl)C1 2279221403 LIJDUEAUKAJKMG-LLVKDONJSA-N 318.826 1.302 10 10 DDCE CSc1ncc(CNC(=O)CN2CCC(CN)CC2)s1 2284640979 OYSGQUJYHQEQEL-UHFFFAOYSA-N 314.480 1.152 10 10 DDCE CN(Cc1c(O)cccc1Br)[C@H]1CNC[C@@H]1F 2303694171 NGTLYLQZPJAJFX-QWRGUYRKSA-N 303.175 1.896 10 10 DDCE Cc1nc(Br)c([C@@H](NN)c2ccccc2O)n1C 2315650953 SBAXNXGJUMAYMH-JTQLQIEISA-N 311.183 1.749 10 10 DDCE CCN(C)CCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 112926371 FEPAQKJGMSCHEW-RMKNXTFCSA-N 317.433 1.604 10 10 DDCE CCN(CCN=[N+]=[N-])[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 2362982003 WRPZBRDPQNOQNH-MRVPVSSYSA-N 317.337 1.441 10 10 DDCE CCOC(=O)c1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1N 91365812 PZJNAHYIUDDCHH-UHFFFAOYSA-N 319.313 1.665 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2cn(CC3CC3)nn2)c1 825736847 LMKMCGLSQMFBMH-SNVBAGLBSA-N 316.361 1.893 10 10 DDCE O=C(OCCc1nnnn1-c1ccccc1)c1cc(O)cs1 732354166 FRVUOHAHCVGHKP-UHFFFAOYSA-N 316.342 1.829 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CC[C@H]2CCCCN12 901124665 XFIDSROVNPCMKX-KGLIPLIRSA-N 304.390 1.773 10 10 DDCE CC[C@H](NC[C@]1(OC)CCS(=O)(=O)C1)c1ccccc1O 903366394 UPBLCKNWNOEDPK-DZGCQCFKSA-N 313.419 1.637 10 10 DDCE CCc1cc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)n[nH]1 832300245 PVPQJKCOGBLFGP-CQSZACIVSA-N 301.394 1.468 10 10 DDCE CCON(C)C(=O)CNC(=O)NCc1ccc(N(C)C)cc1C 844993348 VVWWQGOSMYCPDX-UHFFFAOYSA-N 322.409 1.270 10 10 DDCE CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(N)cc1 841047008 ISKJWQAVOAFTMQ-INIZCTEOSA-N 307.394 1.511 10 10 DDCE COC(=O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccnn1C 843430403 TXNNYYUCLKJFIJ-HNNXBMFYSA-N 301.346 1.359 10 10 DDCE COC(=O)C12CC(CN1C(=O)/C=C\c1ccc(O)c(O)c1)C2 855522054 GZLITXNWQYJWJM-HYXAFXHYSA-N 303.314 1.275 10 10 DDCE CC(C)O[C@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCOC1 928753685 VDBIEHQSTYGENP-YXMMZVCTSA-N 321.373 1.811 10 10 DDCE COC[C@@]1(C(=O)OC)CCCN1Cc1ccc(N(C)C)cc1 852636089 ZVGTYEUOVVTDLW-QGZVFWFLSA-N 306.406 1.907 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CN3CC(C)(C)C3)C2)cc1 855227786 YXOGMXRBACKKSY-CQSZACIVSA-N 317.433 1.732 10 10 DDCE O=C(O)c1csc(CNCc2cc([N+](=O)[O-])ccc2O)n1 756313182 ULTXUTFMSSNIAT-UHFFFAOYSA-N 309.303 1.745 10 10 DDCE O=C(CNCC(F)(F)F)NCc1ccc2cccnc2c1O 862027800 GMIAKRMVZSYQED-UHFFFAOYSA-N 313.279 1.709 10 10 DDCE COC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@@H]1CCCO1 868556335 KNPHWXDXAPPLMZ-LNSITVRQSA-N 308.378 1.946 10 10 DDCE O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CO[C@@H](C2CC2)C1 863531684 AXJXMKHXFFTMHP-DZGCQCFKSA-N 316.357 1.724 10 10 DDCE CO[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@](C)(CO)C1 870524851 BVZOKYZZSXTWHP-XVBBPSCPSA-N 307.346 1.109 10 10 DDCE C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 897664827 XINDPRKWDXIJAY-FUXBKTLASA-N 320.370 1.567 10 10 DDCE CO[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 897503943 DCGISBJHQLHPSZ-CYBMUJFWSA-N 309.343 1.757 10 10 DDCE Cc1ccc(/C=C2/SC(N(CCO)CCO)=NC2=O)cc1 1081155565 TURFCSAMYQYSBZ-JLHYYAGUSA-N 306.387 1.252 10 10 DDCE COCCNCC[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1320653014 QZYADCMELYMGRQ-NSHDSACASA-N 321.381 1.593 10 10 DDCE COc1cc(Cl)cc(CN2CC(CCN)(OC)C2)c1O 1916740467 WIAMDPQULFMVFF-UHFFFAOYSA-N 300.786 1.604 10 10 DDCE Nc1nc(C2CC2)ncc1C(=O)NCc1cc(O)ccc1O 1471661938 HZTDUZBPZZAEKO-UHFFFAOYSA-N 300.318 1.277 10 10 DDCE CCOC(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)nc1 1471662191 SGBANHRDXXGNRM-UHFFFAOYSA-N 316.313 1.600 10 10 DDCE CCn1nc(C(=O)NCc2cc(Cl)ccc2O)ccc1=O 1557386211 QXPXWFXIRLKLSQ-UHFFFAOYSA-N 307.737 1.552 10 10 DDCE C[C@@H](NC(=O)c1cn(Cc2ccccn2)nn1)c1ccccc1O 1557967065 VESAIRHTHCTKMI-GFCCVEGCSA-N 323.356 1.918 10 10 DDCE COC(=O)c1ccc(/C=C/C(=O)NCc2ccc(O)cc2O)o1 1630306392 ALTGAQRFLNZZRN-FNORWQNLSA-N 317.297 1.807 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)c1ccccc1F 1566271093 OJBRMVVUMHUPAN-OAHLLOKOSA-N 305.305 1.629 10 10 DDCE COc1cccc([C@@H](O)C(=O)NCc2cc(O)ccc2O)c1 1644754448 XESVZMMZSWADEH-OAHLLOKOSA-N 303.314 1.456 10 10 DDCE CC[C@H]1SC(=S)N(CCCCCC(=O)NCCO)C1=O 11636817 YIFRQLVJMSYNRI-SNVBAGLBSA-N 318.464 1.294 10 10 DDCE N[C@@H](Cc1ccc(O)c(O)c1)c1nc(-c2cscn2)no1 150220149 WQXDWNXRJHQPGP-QMMMGPOBSA-N 304.331 1.847 10 10 DDCE CC(C)n1nnnc1CN1CCOc2cc(N(C)C)ccc21 163191839 ODOIANCJUUMJFF-UHFFFAOYSA-N 302.382 1.719 10 10 DDCE Cn1ncc(Br)c1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912146605 SVVWJQMGVKEMKX-ZETCQYMHSA-N 313.159 1.955 10 10 DDCE CC(C)N(CC(N)=O)c1ccc(CN)c(Br)c1 228150251 CGKBXPOLFSLIOP-UHFFFAOYSA-N 300.200 1.608 10 10 DDCE C[C@@H](N)c1ccc(N2CCCS(=O)(=O)CC2)cc1Cl 235214823 LRXUZIMJVXMGRD-SNVBAGLBSA-N 302.827 1.985 10 10 DDCE CC(C)(C)[C@@H](CO)CNS(=O)(=O)Cc1ccc(N)cc1 2146391394 GLLNPDZYTOWYLT-GFCCVEGCSA-N 300.424 1.343 10 10 DDCE Oc1cc(Br)ccc1CNC1(c2nn[nH]n2)CC1 2033673025 KKOQZNZMFRXBLJ-UHFFFAOYSA-N 310.155 1.447 10 10 DDCE NCc1cc(F)c(N2CCO[C@@H]3COCC[C@H]32)cc1Cl 2177391317 PUWRGGYGRYAVFO-TZMCWYRMSA-N 300.761 1.932 10 10 DDCE C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1ccc([C@@H](C)O)cc1F 2170330517 QBZGBLBKUJGVAP-HBNTYKKESA-N 301.383 1.891 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)c1ccc([C@H](C)O)c(O)c1 2170553955 LUEJADKLEYUJAB-MNOVXSKESA-N 301.408 1.705 10 10 DDCE CC1(C)C[C@@H](O)[C@@H](O)CN1c1cc(Cl)c(CN)cc1F 2188629525 AYKVANINMPXHSE-OLZOCXBDSA-N 302.777 1.648 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CC[C@@H]3CF)c(Br)cc21 2063222466 GLJMMVNHAMMJTA-KSBSHMNSSA-N 314.158 1.949 10 10 DDCE NC[C@]1(O)CCCN(Cc2cc(Cl)cc(Cl)c2O)C1 2101323327 ZMZXYSHNIQUDKH-CYBMUJFWSA-N 305.205 1.985 10 10 DDCE OCCCOC1CN(c2ccc(CO)cc2Br)C1 2085894839 UGGXLTPRJUXKTG-UHFFFAOYSA-N 316.195 1.529 10 10 DDCE CCN([C@H]1CCSC1)S(=O)(=O)Cc1ccc(N)cc1 2113800321 RRIGMPFVFRUFNH-ZDUSSCGKSA-N 300.449 1.926 10 10 DDCE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1c1ccc(CO)cc1Cl 2113962571 UOFADVVPYMWFGJ-NXEZZACHSA-N 303.811 1.844 10 10 DDCE CSc1ncc(CNc2nc(NN)cn3ccnc23)s1 2284717734 CJLBIGDNVKASLA-UHFFFAOYSA-N 307.408 1.805 10 10 DDCE CCOc1cc(C=C2C(=O)NC(C)=C2C(=O)OC)ccc1O 2297308169 XEQPEDRSJCDBPY-UHFFFAOYSA-N 303.314 1.751 10 10 DDCE Cc1ccc(CN(C)C[C@@H](O)CO)c(O)c1Br 2307467277 WRFWOMUCZIDPJN-SNVBAGLBSA-N 304.184 1.248 10 10 DDCE Fc1cc(CN[C@H]2CCN(C3CC3)C2)ccc1N1CCOCC1 171765446 WJZZLTYFYDFSMN-HNNXBMFYSA-N 319.424 1.989 10 10 DDCE CCCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1 177679153 CFPHQEKYWJVQII-GFCCVEGCSA-N 320.389 1.927 10 10 DDCE COCCN1CCC(CNC(=O)c2cccc(O)c2O)CC1 188374223 BEBPSGGQIQACLC-UHFFFAOYSA-N 308.378 1.186 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 210104435 UGEFCOGRFOUGSI-SMYYYNMVSA-N 319.317 1.235 10 10 DDCE CN(C)S(=O)(=O)CCCNCc1cc(F)cc(F)c1O 2367626872 QITJRXJSDKRGPZ-UHFFFAOYSA-N 308.350 1.042 10 10 DDCE CS(=O)(=O)C[C@@H](N)c1cc(Br)cc(F)c1O 95781087 PUBMLKHXFYKMKB-MRVPVSSYSA-N 312.160 1.338 10 10 DDCE Oc1c(I)cccc1[C@H]1COCCN1 95783849 CJKSWQMAJCEOBM-SECBINFHSA-N 305.115 1.658 10 10 DDCE COC[C@](C)(O)C(=O)NCc1cc(Br)ccc1O 804739837 VLSIZOIEVNSJOE-LBPRGKRZSA-N 318.167 1.168 10 10 DDCE Cn1cncc1C(=O)NCc1cc(Br)ccc1O 811522737 DRYDCDDJZZKQIF-UHFFFAOYSA-N 310.151 1.818 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CCN(C)C3)C2)cc1 824372409 BPYLSORMVHREMM-CABCVRRESA-N 317.433 1.732 10 10 DDCE Oc1c(Br)cccc1CN1CCn2nncc2C1 848922804 ZKHCAIHBQRDPFH-UHFFFAOYSA-N 309.167 1.762 10 10 DDCE C[C@@H]1CNCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 841833074 ZFIMEOSKOXXDIK-RHSMWYFYSA-N 314.433 1.860 10 10 DDCE CCOc1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(O)c1 742391117 DOOKYBNGJUBGQM-UXIGCNINSA-N 304.390 1.890 10 10 DDCE Cn1nccc1[C@H]1COCCN1C(=O)Nc1ccc(N)cc1 846311279 VUSGKFUPGNFZKO-CQSZACIVSA-N 301.350 1.608 10 10 DDCE NCc1ccc(N2C[C@@H](F)C[C@@H](O)C2)cc1Br 2213891909 FYUNIBKOWDWFLZ-GXSJLCMTSA-N 303.175 1.817 10 10 DDCE Cc1cc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)ccc1N(C)C 842162360 HUXABDIZYSERHO-CVEARBPZSA-N 305.466 1.948 10 10 DDCE O=S(=O)(C[C@H]1CCCCO1)NCc1c(O)cccc1F 921452759 YSWJOVSWDPOHQM-SNVBAGLBSA-N 303.355 1.520 10 10 DDCE O=C(COC(=O)c1cccc(O)c1O)c1ccc2c(c1)OCO2 758562597 SOOWTIBWBSRRGK-UHFFFAOYSA-N 316.265 1.866 10 10 DDCE CCN(C)c1ccc(CN2CC[C@@](OC)(C(=O)OC)C2)cc1 859555953 ABJSAKLTCUUJDV-KRWDZBQOSA-N 306.406 1.907 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CC(=O)N(CC2CC2)C1 922796275 GISKFNIUZWXULT-DIECRNLCSA-N 316.357 1.238 10 10 DDCE C[C@H]1CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 920042940 AIEGKBXJVHNETP-LBPRGKRZSA-N 307.369 1.966 10 10 DDCE C[C@@H](N[C@H]1C[C@H](C(N)=O)C1)c1ccc(N2CCOCC2)c(F)c1 858493744 GBQFPJUFFOETFW-MRVWCRGKSA-N 321.396 1.577 10 10 DDCE Cn1c(S(=O)(=O)N2Cc3cccc(O)c3C2)cnc1Cl 867690240 FCLZWTYNUNATQB-UHFFFAOYSA-N 313.766 1.484 10 10 DDCE CC(C)C[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CCNC1=O 866756941 DLVMLIRHGFEQQA-KRWDZBQOSA-N 320.389 1.309 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNCc1ccc(O)c(O)c1O 1894976556 WQBZXEAPTHCGRJ-WDEREUQCSA-N 324.377 1.806 10 10 DDCE COc1cc(O)c(CN2CCSC[C@H]2CCO)cc1OC 775736985 IZYJDHCVYMQVSG-GFCCVEGCSA-N 313.419 1.709 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCC(N(C)C)CC2)c1O 774838212 CIJXTVHMFFUPES-UHFFFAOYSA-N 309.366 1.835 10 10 DDCE CN(C)c1ccc(Cn2nc(CN)c3c2CCC[C@@H]3O)cc1 82824211 CHKJUCOYYBAJLU-INIZCTEOSA-N 300.406 1.826 10 10 DDCE O[C@@H]1C[C@H]2CN(Cc3ccc(N4CCCC4)cc3)CCN2C1 1329104173 HBFJUJQATFDJIS-ZWKOTPCHSA-N 301.434 1.538 10 10 DDCE CN(CC(=O)NC1CC1)C(=O)c1cc2cc(O)c(O)cc2s1 1333085646 JTJXCNIRQJVFHD-UHFFFAOYSA-N 320.370 1.663 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1c1ccc(CN)cc1Cl 90921433 CYANUQRKVVTJKI-LBPRGKRZSA-N 320.867 1.723 10 10 DDCE Cc1c(NC(=O)Cc2ccc(O)c(O)c2)cccc1C(N)=O 1290805959 LXYKPZULAXZAJG-UHFFFAOYSA-N 300.314 1.686 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1cc2n(n1)CCCO2 1451955444 PRFCKUNMEJXOAA-UHFFFAOYSA-N 324.340 1.849 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1cnc2n1CCCC2 1467905571 CIALZGNGXPRTLW-UHFFFAOYSA-N 301.346 1.490 10 10 DDCE CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)Cc4ccc(O)c(O)c4)[C@H]1[C@H]3C2 1568816660 GSLZMTVVCMNYAP-YBTUZMEPSA-N 303.358 1.522 10 10 DDCE Cn1cc2c(n1)CCC[C@H]2C(=O)NCc1c(O)cccc1O 1652626479 WEFMDPIAIPRHSH-SNVBAGLBSA-N 301.346 1.568 10 10 DDCE COc1ccc(CNC/C=C\CNC(=O)c2cnn[nH]2)cc1C 1668905651 RBVKCTRFJLONQB-ARJAWSKDSA-N 315.377 1.198 10 10 DDCE CC(C)(NC(=O)C(F)(F)F)C(=O)NCc1cc(O)ccc1O 1593873606 TXUNOAOAZUYDDG-UHFFFAOYSA-N 320.267 1.171 10 10 DDCE CC(=O)C(=O)[C@]1(O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1(C)C 1974702466 AZLYUIXDISONTL-XMZIXOGTSA-N 311.378 1.541 10 10 DDCE CCOCCCS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 2145157276 MRXJGEUXSWSGSE-UHFFFAOYSA-N 303.336 1.259 10 10 DDCE NCc1ccc(N2CC([C@@H](F)CO)C2)cc1Br 2001906183 XAQUEDZNMLZWPR-LBPRGKRZSA-N 303.175 1.674 10 10 DDCE Cc1nc(CNS(=O)(=O)Cc2ccc(N)cc2)c(C)s1 2152813500 YIKSOIROEIJRCW-UHFFFAOYSA-N 311.432 1.962 10 10 DDCE CN[C@H](C)c1ccc(N2CCS(=O)(=O)CC2)c(Cl)c1 61695428 OESJZGMFHZFFMN-SNVBAGLBSA-N 302.827 1.855 10 10 DDCE CO[C@@H]1CN(C)C[C@@H]1NCc1c(O)cccc1Br 2034335885 PFHHYFJAAPDNIB-WCQYABFASA-N 315.211 1.573 10 10 DDCE NCc1ccc(N2CCOC[C@@H](CO)C2)cc1Br 2036939693 UICMEDUMBPCNEX-SNVBAGLBSA-N 315.211 1.353 10 10 DDCE Oc1cc(Br)ccc1CN[C@@H]1CO[C@@H]2COC[C@@H]12 2040332514 BOTFXMNCOKXUFA-DMDPSCGWSA-N 314.179 1.658 10 10 DDCE C[C@H]1CN(S(=O)(=O)Nc2ccc(O)cc2Cl)C[C@@H](C)N1 2161240836 SOUIBASTZILXFH-DTORHVGOSA-N 319.814 1.385 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H]2[C@H]3CCC(F)(F)[C@@H]32)cc1 2170820474 LXLMZXVQQYLXSM-SDDRHHMPSA-N 302.346 1.732 10 10 DDCE O=C(NCc1cncc(Br)c1)c1cc(O)nc(O)c1 703085178 ZGZFKCSDNFEEKH-UHFFFAOYSA-N 324.134 1.580 10 10 DDCE CC[C@H](C)[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)OC 382042307 VPGLZDAYDROHOM-FZMZJTMJSA-N 300.424 1.749 10 10 DDCE C[C@H](O)c1ccc(N2CC(C)(CS(C)(=O)=O)C2)c(F)c1 2173194640 GPPRKVYMKDQXSY-JTQLQIEISA-N 301.383 1.750 10 10 DDCE O=C(NCc1c(O)cc(O)cc1O)[C@@H]1CC[C@@H]2CCCCN21 2063146984 UJLNONKNCLORJX-GWCFXTLKSA-N 306.362 1.437 10 10 DDCE O=C(C1=C2CCCN2c2ccccc2S1(=O)=O)n1cccn1 2065383239 JJSQHUXHZCNQKS-UHFFFAOYSA-N 315.354 1.823 10 10 DDCE O=C(Nc1nccnc1Br)c1ccc(O)c(O)c1 2057941247 OKIFFKHOWPSTPK-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@H](O)[C@H](O)C2)c(Br)c1 2068407593 SUONMUHHRJQLDK-OXHMUOHRSA-N 316.195 1.434 10 10 DDCE C[C@H](N)c1ccc(N2CC(=O)N[C@@H]3CC[C@H]32)c(Br)c1 2112059156 VQTJJTMIZPOVLX-RLCGTCKNSA-N 324.222 1.936 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H](C)C=CC(=O)O)s1 2269096503 UPJOOSZRGJTPTO-ZETCQYMHSA-N 301.393 1.694 10 10 DDCE O=C1N=C(N2CCOCC2)SC1=Cc1ccc(C(=O)O)cc1 2293069293 CJGMSJNEPKHONN-UHFFFAOYSA-N 318.354 1.687 10 10 DDCE CSc1ncc(CNC(=O)NC2CC(CC(=O)O)C2)s1 2284504558 NOHWYIGWGINPFK-UHFFFAOYSA-N 315.420 1.918 10 10 DDCE OCc1ccc(N2C[C@@H](O)[C@@H]3COC[C@@H]32)cc1Br 2308660468 GLIAYOLNLKJDKW-KGYLQXTDSA-N 314.179 1.137 10 10 DDCE Cc1ccc(CN=c2[nH]cc[nH]c2=O)c(O)c1Br 2327793866 XMGCKSLZRMUOIY-UHFFFAOYSA-N 310.151 1.580 10 10 DDCE CCN(Cc1cc([N+](=O)[O-])ccc1O)[C@H]1CCS(=O)(=O)C1 175526292 BOFBWVLSAUBRAF-LBPRGKRZSA-N 314.363 1.309 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NCc2ccnn2C)c1 103508898 USHWEXWDTGDPRO-JTQLQIEISA-N 304.350 1.695 10 10 DDCE Oc1cc2c(cc1CN1CC[C@@H](N3CCOCC3)C1)OCO2 172960934 JPJJDZHJTPTZCZ-CYBMUJFWSA-N 306.362 1.027 10 10 DDCE CC[C@H](C(=O)Nc1ccc(N)cc1)N1CCN(C(C)=O)CC1 62460915 IHXLWVZUVOARJR-OAHLLOKOSA-N 304.394 1.150 10 10 DDCE Oc1cc2c(cc1CN1CCC[C@H](n3cncn3)C1)OCO2 179470163 VNPTURDWBCCARL-LBPRGKRZSA-N 302.334 1.550 10 10 DDCE CCNCc1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c(Cl)c1 2361607931 BOPVZHIMIWSPDP-FZMZJTMJSA-N 314.838 1.683 10 10 DDCE COc1cc(Cl)cc(CNN(C)S(=O)(=O)C2CC2)c1O 2365271431 OIMDLDITKGMYRH-UHFFFAOYSA-N 320.798 1.483 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@H](Cn3cncn3)C2)c(O)c1O 182481578 XXNLETFIUDDHPY-LBPRGKRZSA-N 316.361 1.550 10 10 DDCE CCN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1ccccc1 490949853 SIHHJFKCCHLWOV-KHPPLWFESA-N 313.357 1.150 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCO[C@@H]([C@@H](C)O)C2)c1O 839673080 UYYNACYVCQRGOR-QMTHXVAHSA-N 313.781 1.830 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCN(CCO)C[C@H]2C)c1O 832783147 NZGNEWMLDBILBW-LLVKDONJSA-N 310.369 1.232 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CNCC[C@@H]1C 841824738 SNJJOXPYDUSWOC-BLLLJJGKSA-N 304.438 1.858 10 10 DDCE COc1cccc(CNS(=O)(=O)C[C@H]2CCC2(F)F)c1O 866841232 XNMZTAOWHOMNDT-SNVBAGLBSA-N 321.345 1.866 10 10 DDCE Cc1cc(CNC(=O)[C@@H]2COC(=O)N2)c(C)n1-c1ccccc1 863163653 LJSSHRASYJJXHE-HNNXBMFYSA-N 313.357 1.819 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@H]3C2)cc1 861777157 QHVBWJNECMKNPQ-RBSFLKMASA-N 315.417 1.480 10 10 DDCE COc1cccc(CNC(=O)c2cn3c(n2)COCC3)c1O 860240670 KAHMHIARQMWZPB-UHFFFAOYSA-N 303.318 1.058 10 10 DDCE CC(=O)N[C@@H](C(=O)NCc1ccc2cccnc2c1O)C(C)C 862025632 PSJPPKQMCRMKKI-CQSZACIVSA-N 315.373 1.717 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCCCCN)C2)cc1 1118482944 SWRFSJJECWFMJE-ZDUSSCGKSA-N 306.410 1.312 10 10 DDCE COCCCCS(=O)(=O)N[C@H](C)c1cc(OC)ccc1O 772725146 UFYNHWQRCKSKHA-LLVKDONJSA-N 317.407 1.808 10 10 DDCE COc1ccccc1[C@@H](O)CNC(=O)c1cccc(O)c1O 788640273 FDFKKQZNSGGVNJ-ZDUSSCGKSA-N 303.314 1.570 10 10 DDCE COc1cc(NS(=O)(=O)c2cccc3nonc23)ccc1O 797819469 KDSZIMZNAOZBFH-UHFFFAOYSA-N 321.314 1.738 10 10 DDCE CN(C)c1ccc(CNC(=O)NCc2ncccc2O)cc1 791996100 INWGKGDQCIWVQZ-UHFFFAOYSA-N 300.362 1.853 10 10 DDCE CON(C)C(=O)CNC(=O)c1cc2cc(O)c(O)cc2s1 1142484068 SBMBYUHXVROKFC-UHFFFAOYSA-N 310.331 1.062 10 10 DDCE CO[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1885557352 NXGUWDAYMMNUCF-RKDXNWHRSA-N 301.347 1.341 10 10 DDCE C[C@@H]1SCCC[C@@H]1NS(=O)(=O)Cc1ccc(N)cc1 1889198820 PNMDTSBZOLJBHE-GWCFXTLKSA-N 300.449 1.972 10 10 DDCE CC(C)(F)CCNS(=O)(=O)CCOc1ccc(N)cc1 698264819 FSAZVZKKHQCODU-UHFFFAOYSA-N 304.387 1.705 10 10 DDCE O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCCC(F)(F)CC1 1261868504 NNQXMZHGLCGRDK-UHFFFAOYSA-N 324.327 1.882 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cccc(Cn2cncn2)c1 1441792895 MAAXPXCTEGLAOG-UHFFFAOYSA-N 324.340 1.919 10 10 DDCE Cn1c(C(=O)NCc2ccc(O)cc2O)cc(=O)c2ccccc21 1451763956 DGMLNVDBKSHWMF-UHFFFAOYSA-N 324.336 1.880 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)O3)cc1 1467385218 ZXOCZVCGBIOZTD-TXEJJXNPSA-N 304.306 1.089 10 10 DDCE CC(C)(O)[C@H](O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 1616179867 IYCQHIAAMAKCMQ-GOEBONIOSA-N 309.406 1.505 10 10 DDCE O=C(NCc1ccccc1O)[C@H]1C[C@]12C(=O)Nc1ccccc12 1630363099 JDLOAVKRYAZHCD-FZKQIMNGSA-N 308.337 1.918 10 10 DDCE NC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1cccc(O)c1O 1633771771 UIEZAIATMZNVAK-AWEZNQCLSA-N 312.325 1.323 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1c(F)ccc2nc[nH]c12 1642971962 BJHDZENLNNWHSC-UHFFFAOYSA-N 315.304 1.972 10 10 DDCE COC(=O)C1(C(=O)NCc2c(O)cccc2O)CC2(CCC2)C1 1645363144 NNZUHOQYLJNYRJ-UHFFFAOYSA-N 319.357 1.838 10 10 DDCE COc1ccc(CN[C@H]2C[C@H](NC(=O)[C@H](C)OC)C2)cc1C 1690267427 DOGCPQBYNIXVNL-QEJZJMRPSA-N 306.406 1.775 10 10 DDCE CC[C@@H]1SC[C@H](C(=O)O)N1C(=O)CCc1ccc(N)cc1 158156388 DCHWIPHAOSEXDQ-OCCSQVGLSA-N 308.403 1.966 10 10 DDCE N[C@H]1CC(C(=O)N2CCc3cccc(Br)c32)=C[C@H]1O 2131468892 IXRNLEORLKFWFX-NWDGAFQWSA-N 323.190 1.357 10 10 DDCE CN(C)[C@@H]1COC[C@H]1NCc1c(O)cccc1Br 1921758538 XLFNCNFAYAMAKF-VXGBXAGGSA-N 315.211 1.573 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@H]1c1cc(O)nc(O)c1 1952994151 XDAJAKMTWXYTNX-JOYOIKCWSA-N 324.333 1.876 10 10 DDCE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)N(C)c1ccc(N)cc1 1977776533 JTMRQHXIJQTXMU-CYBMUJFWSA-N 323.393 1.771 10 10 DDCE CN1C(=O)C[C@H](NCc2c(O)cccc2Br)C1=O 706852193 WDTPHHFCXYRDPT-VIFPVBQESA-N 313.151 1.002 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc(CN)c(Cl)c1 696837107 PEICKBPWRVCISL-QWHCGFSZSA-N 318.826 1.047 10 10 DDCE Oc1cc(Br)ccc1CNC[C@H]1Cc2nncn2C1 2111446494 ZTZZEMYEQVIXEE-SECBINFHSA-N 323.194 1.708 10 10 DDCE CSc1ncc(CNC[C@H]2CCCCS2(=O)=O)s1 2208708587 DBCPFGVWZOYNDJ-SNVBAGLBSA-N 306.478 1.922 10 10 DDCE CO[C@@H]1CC[C@H]1CS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2239436583 NIOFAGFHYQZJAQ-QJPTWQEYSA-N 302.400 1.906 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@@H]2CC[C@H]2O)s1 2256963377 DDJZGMZHNLWODF-IONNQARKSA-N 308.450 1.055 10 10 DDCE CSc1ncc(CNC(=O)[C@@H](N)[C@H](O)C(C)(C)C)s1 2269097368 CSJLZHWOUILQQS-IUCAKERBSA-N 303.453 1.216 10 10 DDCE Cc1ccc(CN2CCOC[C@H]2CN)c(O)c1Br 2327551481 FLROBPKESNQDOZ-LLVKDONJSA-N 315.211 1.623 10 10 DDCE Cc1ccc(CNC(=O)CNC2CC2)c(O)c1Br 2327796272 FATSDTNCWBBAIZ-UHFFFAOYSA-N 313.195 1.831 10 10 DDCE O=C(N[C@H]1CCCN(c2cccnn2)C1)c1cccc(O)c1O 185677927 XRCOHXIBXJDHNT-NSHDSACASA-N 314.345 1.287 10 10 DDCE CCS(=O)(=O)N(C)Nc1nc2c(s1)CCC[C@H]2C(=O)O 2365341998 UCXBQNQTGDMIGT-SSDOTTSWSA-N 319.408 1.256 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCN(C3CC3)CC2)c1O 278251164 PCURPKZGKJQSMF-UHFFFAOYSA-N 307.350 1.589 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@](C)(O)c1ccccc1C(F)(F)F 808519149 PJYCDXKOEAUKLK-ZDUSSCGKSA-N 318.247 1.614 10 10 DDCE CC(C)C(=O)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 294989450 XYZQZYXFNBPVJT-UHFFFAOYSA-N 310.325 1.177 10 10 DDCE CC(=O)C(=O)COC(=O)/C=C\c1ccc(Br)o1 808487803 IGGFHCSEIRHBKP-HYXAFXHYSA-N 301.092 1.757 10 10 DDCE CC[C@@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc(N(C)C)cc1 818362672 ZZYFEPMPDFTCHO-CABCVRRESA-N 303.406 1.941 10 10 DDCE O=S1(=O)CCCN1CCCNCc1cc(Cl)ccc1O 729684531 YVAMRYHLSUKKPA-UHFFFAOYSA-N 318.826 1.561 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)CCOCC1CCC1 827187780 MHFQGTVCTUGRGC-UHFFFAOYSA-N 313.419 1.971 10 10 DDCE COc1cccc(CN2CCC(N3CC[C@H](O)C3)CC2)c1O 827700040 OOUROWPEZYVFHU-HNNXBMFYSA-N 306.406 1.432 10 10 DDCE CCOC(=O)[C@@H]1CC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 905317136 GXESVFDSDLSXMW-LSDHHAIUSA-N 304.390 1.958 10 10 DDCE CCc1cccc(CN2CCC[C@H](CS(N)(=O)=O)C2)c1O 848885548 UPICUXIFQBPJHK-LBPRGKRZSA-N 312.435 1.455 10 10 DDCE CN1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc(O)c1O 854642060 IKMNAUZBZWFDSE-CHWSQXEVSA-N 306.362 1.033 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC[C@H]2C[C@@H]3COC[C@@H]3O2)c1 926950299 UBRXXWPUFMBDIY-XQCUEUFKSA-N 321.373 1.633 10 10 DDCE COC1(OC)CC[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 926723907 GNXALCLMFBATQA-KRWDZBQOSA-N 320.433 1.889 10 10 DDCE CC[C@H](O)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854298976 DDIYHQWOXLRKNO-HIFRSBDPSA-N 321.421 1.734 10 10 DDCE COCC1CN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])C1 865913825 VQRKBVWTACXAAE-XQRVVYSFSA-N 306.318 1.864 10 10 DDCE COCCn1ncc(C(=O)N(C)Cc2ccccc2O)c1C 866597650 WFWMKOIJKFJWSN-UHFFFAOYSA-N 303.362 1.816 10 10 DDCE C[C@H](NCc1cc(Cl)cc(F)c1O)c1nnc(O)n1C 895176274 NGVVFDVWXTYUMO-LURJTMIESA-N 300.721 1.870 10 10 DDCE CCN(CC)c1ccc(CNC(=O)/C=C/C(=O)N(C)C)cc1 1136300663 ZBIXXDQAFZRKHI-VAWYXSNFSA-N 303.406 1.793 10 10 DDCE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCN=[N+]=[N-] 1885560960 KTDDCRADWUZUGE-SECBINFHSA-N 301.347 1.295 10 10 DDCE CN[C@H](c1ccccc1O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C 1959921856 YZYBLZIWDRXDAD-GDLCADMTSA-N 310.394 1.927 10 10 DDCE Cn1ccc(-c2nccnc2I)cc1=O 1962415529 SGPFIHMFUNKGEA-UHFFFAOYSA-N 313.098 1.447 10 10 DDCE Cc1nc(NC(=O)CCN2C(=O)CSC2=S)sc1C 1865767612 BGZJHBCVQKGMBE-UHFFFAOYSA-N 315.445 1.949 10 10 DDCE O=C1COc2cc(C(=O)NCc3ccc(O)cc3O)ccc2N1 1299570631 KYQLJVJAAIVJOB-UHFFFAOYSA-N 314.297 1.359 10 10 DDCE Cc1[nH]nc(C(=O)NCc2ccc(N3CCCC3)cc2)c1O 1290778601 UKRNJJDIVKRSOS-UHFFFAOYSA-N 300.362 1.954 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1nnc(-c2ccco2)o1 1545669268 RSYPKILICSWXHC-UHFFFAOYSA-N 315.285 1.713 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)[C@@H]2[C@H]3COC[C@H]32)cc1C 1483258076 NCKSERDIMGSWGD-MKVSYHDVSA-N 318.417 1.490 10 10 DDCE COC(=O)[C@@H](CCF)NC(=O)c1ccc(N=NC(N)=O)cc1 1557336991 HYYYHGMFFIEBCH-SNVBAGLBSA-N 310.285 1.480 10 10 DDCE CC1(C)CCC(NC(=O)c2cccc(O)c2O)(C(N)=O)CC1 1630808911 OMKJMUMZJYQLMY-UHFFFAOYSA-N 306.362 1.652 10 10 DDCE CCOC(=O)c1cnn2c(O)cc(CN[C@@H](C)C3(C)CC3)nc12 1648525916 HJDKFAQOKLMVFO-JTQLQIEISA-N 318.377 1.890 10 10 DDCE CCCOc1ccnc(CC(=O)NCc2c(O)cccc2O)n1 1597574214 KLYANBOAXXFACO-UHFFFAOYSA-N 317.345 1.536 10 10 DDCE CN(C)c1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1 1871277724 BPFRHQRLZXKLTE-UHFFFAOYSA-N 308.345 1.981 10 10 DDCE CNC(=O)N[C@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 1139674001 KEUMEHOGDZEWNG-HNNXBMFYSA-N 304.438 1.954 10 10 DDCE NCc1ccc(N2CCO[C@H](CO)C2)cc1Br 228154632 PSPUOEOIOWQPAE-NSHDSACASA-N 301.184 1.105 10 10 DDCE CON(Cc1ccccc1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 1937152464 GCDAEZDDDBPEDH-AWEZNQCLSA-N 316.357 1.558 10 10 DDCE Cn1ncc(C=O)c1S(=O)(=O)Nc1ccc(O)c(Cl)c1 2144014356 HPGXHHLNRANWDZ-UHFFFAOYSA-N 315.738 1.392 10 10 DDCE C[C@H]1C[S@](=O)CCN1c1ccc(CO)c(Br)c1 2004529373 HQUPYJMLVYECKH-HUTHGQBESA-N 318.236 1.899 10 10 DDCE Cn1nc(COc2cc(F)cnc2N)cc1Br 2002817862 MTUNDSHDJORPFN-UHFFFAOYSA-N 301.119 1.878 10 10 DDCE OCc1ccc(N2C[C@H](O)[C@H]3COC[C@@H]32)cc1Br 2040592263 GLIAYOLNLKJDKW-DRZSPHRISA-N 314.179 1.137 10 10 DDCE CS(=O)(=O)[C@H]1CCCN(c2ccc(CN)c(Cl)c2)C1 389163431 ZBJRHHSFSUXOPH-LBPRGKRZSA-N 302.827 1.812 10 10 DDCE OCc1ccc(N2CC(n3ccnn3)C2)c(Br)c1 2050820467 VLUHTKRNMUGKMV-UHFFFAOYSA-N 309.167 1.594 10 10 DDCE CNCc1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(Br)c1 2068371135 UKFWPXYRBKKVPD-OLZOCXBDSA-N 315.211 1.100 10 10 DDCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@@H]3CO)cc1Br 2082971182 XDEXLWBJRVQQRZ-QKCSRTOESA-N 311.223 1.986 10 10 DDCE C[C@H]1C[C@@H](COc2nnc(=N)[nH]n2)CCN1C(=O)OC(C)(C)C 2210648740 DAZKOFOAEIAJEI-UWVGGRQHSA-N 324.385 1.094 10 10 DDCE NCc1ccc(N2CC[C@H](O)[C@@H](O)CC2)c(Br)c1 2256988805 RIHTWTGUZHHVGH-STQMWFEESA-N 315.211 1.230 10 10 DDCE CSc1ncc(CN2CC(=O)NC3(CCCC3)C2=O)s1 2284665118 JQCKNXZAZXTQPC-UHFFFAOYSA-N 311.432 1.636 10 10 DDCE COc1cc(OC)c(N2CCC[C@@H]2[C@@H](O)CO)cc1Cl 2285870369 OJTRYTYTVNNERJ-PWSUYJOCSA-N 301.770 1.679 10 10 DDCE CCn1nccc1C=CC(=O)NCc1cccc(OC)c1O 2303631404 QZOFUFLYZAVZRH-UHFFFAOYSA-N 301.346 1.947 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1 171807063 FUCYQOZEMOTSTB-MRXNPFEDSA-N 302.422 1.742 10 10 DDCE CC(=O)N1CCC[C@H]1C(=O)NCCCSc1nccs1 114139956 IDPPFSASIBJGTP-NSHDSACASA-N 313.448 1.752 10 10 DDCE O=C(C(=O)N1CC(CC2CC2)C1)N1Cc2cccc(O)c2C1 1351932653 OCBQLSKCAWFFPB-UHFFFAOYSA-N 300.358 1.493 10 10 DDCE CC(C)CC(=O)N1CCN(c2ccc3c(c2)CC(=O)N3)CC1 62575905 GKEAZHYWWPDKOA-UHFFFAOYSA-N 301.390 1.876 10 10 DDCE C[C@@H]1C[C@@H]1N1C[C@@H](NCc2cc3c(cc2O)OCO3)CC1=O 363264578 OUHZXWXKMLSXBT-USWWRNFRSA-N 304.346 1.220 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@@]3(CNC(=O)C3)C2)c1O 366029650 WLQPAUHDYNDZLD-OAHLLOKOSA-N 321.333 1.021 10 10 DDCE CC(=O)C(=O)COC(=O)COc1cccc(OCC(C)C)c1 808529801 TTWJXXIWSFWISK-UHFFFAOYSA-N 308.330 1.802 10 10 DDCE CN1CCN(c2ccc(CN3CC[C@@H]4CN(C)C[C@@H]43)cc2)CC1 814174121 YYBXNYLVJPYONG-MJGOQNOKSA-N 314.477 1.574 10 10 DDCE CC(C)N(Cc1ccc(N2CCN(C)CC2)cc1)C[C@@H](O)CO 817417633 MCLXBTBKEMXQMF-GOSISDBHSA-N 321.465 1.002 10 10 DDCE C[C@@H]1CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 823559245 HQGIFDVRUNPJBR-CYBMUJFWSA-N 303.406 1.952 10 10 DDCE C[C@H]1[C@@H](N)CCN1C(=O)NCc1ccc(N2CCCC2)cc1 841709708 LMIJHIMDBIEDFQ-BBRMVZONSA-N 302.422 1.918 10 10 DDCE C[C@@]12CN(C(=O)C(=O)Nc3ccc(N)cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 841137172 FWDSVMZOOBYKMP-XHUUTOEUSA-N 311.385 1.878 10 10 DDCE NC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)F 848715746 LGABZYHGEDJEBH-ZDUSSCGKSA-N 321.318 1.642 10 10 DDCE Cc1ccc(C(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c(O)c1O 848294226 FIITWZNTNUZCLW-RWMBFGLXSA-N 322.405 1.634 10 10 DDCE COc1cc(Cl)cc(CN(CCN)CCN(C)C)c1O 2280559916 OKHUHBGRNSDRQF-UHFFFAOYSA-N 301.818 1.377 10 10 DDCE CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)C1CNC1 923584121 RRJKZWOKLWTNNA-UHFFFAOYSA-N 323.462 1.410 10 10 DDCE COc1ccc(O)c(CNC(=O)Nc2cnc(N(C)C)nc2)c1 752341465 YFSFSOHHCXCJOZ-UHFFFAOYSA-N 317.349 1.579 10 10 DDCE O=S(=O)(CCC[C@H]1CCOC1)NCc1c(O)cccc1F 921451909 YLCAHDBMUVSRDF-NSHDSACASA-N 317.382 1.767 10 10 DDCE C[C@@H](NC(=O)NCCCCN1CCOCC1)c1ccccc1O 868102024 HHHAZMRYLPJXRP-CQSZACIVSA-N 321.421 1.865 10 10 DDCE NC1(CNCc2cc(Br)ccc2O)CCOCC1 863482264 XDIUHQJBSBGYEY-UHFFFAOYSA-N 315.211 1.752 10 10 DDCE O=C(O)[C@@H](F)C1(O)CN(Cc2cc(Cl)cc(Cl)c2O)C1 1875537783 CJIJRFWXJDCVCC-SNVBAGLBSA-N 324.135 1.668 10 10 DDCE CCCNC(=O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 895823413 QQSDFJLTXILQBU-UHFFFAOYSA-N 322.386 1.959 10 10 DDCE C[C@@H]1OCC[C@]1(O)CNC(=O)c1cc2cc(O)c(O)cc2s1 897606201 NZFUTDCZCZVRRU-AYVTZFPOSA-N 323.370 1.582 10 10 DDCE COc1cc(NS(=O)(=O)c2ncn(C)c2Cl)ccc1O 797820358 UEKRRTRMKVNMCT-UHFFFAOYSA-N 317.754 1.589 10 10 DDCE CNC[C@@H]1CN(Cc2ccc(Br)cc2O)CCO1 691491790 UIKPMEIDAGKMKF-GFCCVEGCSA-N 315.211 1.575 10 10 DDCE Cc1nc(O)nc(S)c1C(=O)N[C@H](C)c1ccccc1O 1302532823 RZXUYWDNQNYYTH-SSDOTTSWSA-N 305.359 1.976 10 10 DDCE Cn1c(O)nc2ccc(C(=O)NCc3c(O)cccc3O)cc21 1304053583 ORUABHYBHCAGMT-UHFFFAOYSA-N 313.313 1.620 10 10 DDCE CN(CC[S@](C)=O)Cc1ccc(Br)cc1O 691678556 PDIVFVDHJUZZBQ-INIZCTEOSA-N 306.225 1.965 10 10 DDCE C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCc1cccc(O)c1O 1347543256 ZJTHNMHRVKMVRB-SNVBAGLBSA-N 308.378 1.655 10 10 DDCE COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1ccccn1 1298488607 CEMQHOMYJSVZBN-LBPRGKRZSA-N 302.286 1.137 10 10 DDCE COC(=O)c1oc(C(=O)NCc2ccc(O)cc2O)cc1C 1557085766 VHYCLPPWKQGFOY-UHFFFAOYSA-N 305.286 1.716 10 10 DDCE O=C(/C=C/Cn1cncn1)NCc1ccc2cccnc2c1O 1639624816 LGMNVALVTZAWDO-DUXPYHPUSA-N 309.329 1.405 10 10 DDCE O=C(CNC(=O)C1CCCCC1)NCc1c(O)cccc1O 1639288896 AXAPYHUAYQMLFX-UHFFFAOYSA-N 306.362 1.411 10 10 DDCE COC(=O)[C@@](C)(CCF)NC(=O)c1ccc(N=NC(N)=O)cc1 1641438043 HSNGRCLXDCRJNJ-CQSZACIVSA-N 324.312 1.870 10 10 DDCE C[C@@H](NC(=O)c1ccnc(-n2cncn2)c1)c1ccccc1O 1587444324 CTFXBYXNNJAEIV-LLVKDONJSA-N 309.329 1.859 10 10 DDCE C[C@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)c1ccccc1O 1587451078 HHFWVGAWWQZSKR-WDMOLILDSA-N 306.362 1.383 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](CC(=O)Cc2ccc(N)cc2)C1 166803986 FPDQWFQRIKUCDJ-ZDUSSCGKSA-N 310.419 1.442 10 10 DDCE CN=c1[nH]cc(Br)c(=NCc2cccc(C)c2O)[nH]1 2139764600 RQUWRAVRAWIZFQ-UHFFFAOYSA-N 323.194 1.751 10 10 DDCE CC(C)(C)OC(=O)N[C@H](C(=O)O)c1cc([N+](=O)[O-])ccc1O 1951385433 MWRXBPJXMHTEHQ-JTQLQIEISA-N 312.278 1.951 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](CO)N[C@@H]1CCc2cccc(O)c21 1985775597 KSSVKRHJDFEPSW-CHWSQXEVSA-N 322.405 1.855 10 10 DDCE CCCS(=O)(=O)N[C@H](C)C(=O)N1CCC[C@H](N=[N+]=[N-])C1 701318540 IHZRTZCCJXAHGR-ZJUUUORDSA-N 303.388 1.006 10 10 DDCE Oc1ccc(CNCc2cccc(Br)c2O)nn1 391423127 VZCHDYLIOLUBCJ-UHFFFAOYSA-N 310.151 1.940 10 10 DDCE CO[C@](C)(CNC(=O)c1cnn2c(O)cc(C)nc12)C1CC1 2063906970 VCZOLOIVEYWEAG-OAHLLOKOSA-N 304.350 1.288 10 10 DDCE COc1ccc(Cn2cc(C(=O)NC3CC3)c(O)n2)c(O)c1 2070642313 DPWWHGPVPTUASG-UHFFFAOYSA-N 303.318 1.243 10 10 DDCE CSc1ncc(CNC(=O)NC[C@@H](C)CC(=O)O)s1 2269119987 XTRAUSKZGDKMKI-ZETCQYMHSA-N 303.409 1.775 10 10 DDCE CN(C[C@@H](O)[C@H](N)c1ccc(N(C)C)cc1)C(=O)OC(C)(C)C 2244719901 HWOACXFWTVZCSF-HUUCEWRRSA-N 323.437 1.980 10 10 DDCE COCCNC[C@@]1(C)CN(Cc2cnc(SC)s2)C1=O 2284673624 NEPQOWYDERYRPK-ZDUSSCGKSA-N 315.464 1.450 10 10 DDCE COc1cc(OC)c(N2CCC[C@](O)(CO)C2)cc1Cl 2285876317 XODHJQDXVDVUKP-CQSZACIVSA-N 301.770 1.681 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)N(C)c2ncccc2C)c1 491957133 BLWGZGUVXKVPHK-VOTSOKGWSA-N 310.357 1.821 10 10 DDCE COCCN/C=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 100376396 SONIUUSYHDJWAN-LCYFTJDESA-N 304.306 1.437 10 10 DDCE CC(=O)N1CC[C@@H](C(=O)NCCCSc2nccs2)C1 176653663 SLJRAEYPFQWVMR-LLVKDONJSA-N 313.448 1.610 10 10 DDCE C[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1O 305760834 KNWAWSDYRDHBRG-CZUORRHYSA-N 305.422 1.072 10 10 DDCE COCCN1CCCN(Cc2cc(C)cc(OC)c2O)CC1=O 189299733 NYAFXZLNRFENBC-UHFFFAOYSA-N 322.405 1.390 10 10 DDCE O=C1Nc2cc(N3CCOC[C@H](F)C3)c(Cl)cc2[C@H]1O 2361819104 ITMHDMLMXJBMFK-JMCQJSRRSA-N 300.717 1.500 10 10 DDCE CCc1nc2n(n1)CCC[C@H]2NC(=O)c1cccc(O)c1O 185827090 QCCRMCAYNOSROI-SNVBAGLBSA-N 302.334 1.517 10 10 DDCE COc1cc(Cl)c(N2CC[C@](C)(O)[C@@H](O)C2)c(OC)c1 2368096832 URHKRLMYNMOYGV-JSGCOSHPSA-N 301.770 1.679 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)c1cccnc1N 88070923 DNFQQDULAXTQDQ-JTQLQIEISA-N 307.375 1.751 10 10 DDCE COc1cc(Br)c(C=O)cc1OCC(=O)C(C)=O 288870456 LSWDGNCNISIWSV-UHFFFAOYSA-N 315.119 1.807 10 10 DDCE C[C@@H](NC(=O)[C@@H]1CCNC(=O)CC1)c1ccc(N(C)C)cc1 816180523 RWDKPQYCMRAMFO-OCCSQVGLSA-N 303.406 1.846 10 10 DDCE CCCn1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cn1 735077042 KCSFRBBBTTYCEN-WTKPLQERSA-N 311.388 1.579 10 10 DDCE C[C@H](NCC[C@@H]1CC(=O)N(C)C1)c1cc([N+](=O)[O-])ccc1O 903215359 GZTZWJWSBQVIFO-WDEREUQCSA-N 307.350 1.819 10 10 DDCE CSCC[C@H](NC(N)=O)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 701263619 HJWWJPKXPWSSPQ-BDAKNGLRSA-N 300.388 1.078 10 10 DDCE COc1ccc(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)c(O)c1 846949946 KUUQOBZVCRYZOV-SNVBAGLBSA-N 301.346 1.545 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)c1cnc2n1CCC2 849308690 UNIRGZFYSCSGCG-UHFFFAOYSA-N 313.766 1.989 10 10 DDCE COc1ccc(N2CCC(NS(=O)(=O)CC3CC3)CC2)cc1 748060611 ZYAYEDWGOKXVOC-UHFFFAOYSA-N 324.446 1.993 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC(=O)N(C)C1 841591100 TXCLGYTUPTZXNP-ZDUSSCGKSA-N 318.421 1.433 10 10 DDCE CCc1nnc(CNC(=O)NCc2c(O)cccc2F)s1 922541016 RYXMLOTYMHIAQY-UHFFFAOYSA-N 310.354 1.945 10 10 DDCE CN1CCN(c2ccc(CN[C@H]3CN4CCC[C@H]3C4)cc2)CC1 926855263 SOLMEEXOLIJSBR-HKUYNNGSSA-N 314.477 1.622 10 10 DDCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1[C@H]2COC[C@H]21 856209541 RTFJCIFIOXNUIX-FVQHAEBGSA-N 316.401 1.156 10 10 DDCE CCN(CCOC)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854298187 XVVFSZCAFWAJPI-CQSZACIVSA-N 321.421 1.952 10 10 DDCE Cc1ccc(O)c(CNC(=O)NCCO[C@@H]2CC2(F)F)c1 858608599 URCQGPKBBSHMSA-GFCCVEGCSA-N 300.305 1.924 10 10 DDCE C[C@H](NC[C@@]1(OCCO)CCOC1)c1ccc(N(C)C)cc1 850509639 SGNGVLHNIZQKGH-YOEHRIQHSA-N 308.422 1.571 10 10 DDCE CCCN[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852843547 AOYIVMFLJZPTBD-ZIAGYGMSSA-N 305.422 1.778 10 10 DDCE COC[C@@]1(C)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 863342504 FBTCCMHRPMRSHA-GOEBONIOSA-N 309.362 1.055 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCN(C2CCC2)C1=O 863836402 XNNMQJALCBZARC-IYNGYCSASA-N 316.357 1.381 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@]23C[C@H]2COC3(C)C)c1O 862469141 ZPJACGNUCACNDG-ZUZCIYMTSA-N 308.334 1.966 10 10 DDCE O=C1CC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCN12 769207334 RYFNHZPHRHHADP-KRWDZBQOSA-N 315.417 1.330 10 10 DDCE COc1ccc(CNC(=O)[C@H]2CCc3nncn3CC2)c(O)c1 879846557 FMYOAXWLPAWNLC-NSHDSACASA-N 316.361 1.261 10 10 DDCE COc1ccc(CNC(=O)[C@@H]2CCc3nncn3CC2)c(O)c1 879846556 FMYOAXWLPAWNLC-LLVKDONJSA-N 316.361 1.261 10 10 DDCE O=C1[C@@H](NCc2cccc(Cl)c2O)CCN1C1CCOCC1 776229896 FOPVFSFGKWZSTO-AWEZNQCLSA-N 324.808 1.915 10 10 DDCE C[C@H](NC(=O)c1cc([C@@H]2CCNC2)[nH]n1)c1ccccc1O 870987681 AFCNBDYGZZPXEX-WDEREUQCSA-N 300.362 1.683 10 10 DDCE O=C1CC[C@@]2(C(=O)N3Cc4cccc(O)c4C3)SCCN12 871198594 KEDWJRFITFGKRC-HNNXBMFYSA-N 304.371 1.300 10 10 DDCE CC(=O)c1cc(F)cc(Cn2cc(C3(F)COC3)nn2)c1O 880995799 HTBQVYIQLCFMBY-UHFFFAOYSA-N 309.272 1.569 10 10 DDCE O=C(N[C@H]1c2ccccc2OC[C@H]1CO)c1cc(O)cs1 889567425 ALNAVGZDZRPPHZ-YMTOWFKASA-N 305.355 1.926 10 10 DDCE COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(OC)ccc1O 895864193 PCFMDGLZGAMXOX-ZIAGYGMSSA-N 309.362 1.601 10 10 DDCE COc1ccc(CNC(=O)Nc2ccc(C(N)=O)nc2)c(O)c1 797636360 PGMFNPGSZHOBKG-UHFFFAOYSA-N 316.317 1.216 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1885563755 ZVPNMNCBHRYHRD-SECBINFHSA-N 301.347 1.031 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CN(CCCN=[N+]=[N-])[C@H]2COC[C@H]12 1962299683 NFPNAQVQBOPYBI-UTUOFQBUSA-N 311.386 1.911 10 10 DDCE CN(C)c1ccc(CNC(=O)c2nn(C)c3c2CNCC3)cc1 82807480 IUVJMGMCXRCXMJ-UHFFFAOYSA-N 313.405 1.062 10 10 DDCE C[C@H](CNCCF)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1268098065 NUPOJAZBCZNJDF-SNVBAGLBSA-N 309.345 1.869 10 10 DDCE COc1ccc(CN[C@@H](C)[C@H](C)NC(=O)c2nc[nH]n2)cc1C 1275517784 ZMSFCBANZRIPBG-RYUDHWBXSA-N 317.393 1.418 10 10 DDCE C[C@@H](O)c1cn(CC(=O)NCc2cccc(Cl)c2O)nn1 1457038173 VLYKZGCJZZPXHO-MRVPVSSYSA-N 310.741 1.007 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccnn2C)c(O)c1O 1522617898 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DDCE OCc1ccc(N2C[C@@H](F)[C@@H](CO)C2)cc1Br 2008020823 SONNXNBWEWUBMI-BXKDBHETSA-N 304.159 1.708 10 10 DDCE NCc1cc(F)c(N2CCC(OCCO)CC2)cc1Cl 2177376307 DAZNQAVUJIRPCC-UHFFFAOYSA-N 302.777 1.916 10 10 DDCE Cn1ncc(NC(=O)Cc2ccc(N)cc2)c1Br 694176093 BSQONJPRZYKLJI-UHFFFAOYSA-N 309.167 1.946 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)c2n1 2062994012 AYIVTTFYPTYLQH-WQAKAFBOSA-N 316.361 1.287 10 10 DDCE C[C@H]1[C@@H](C)N(c2c(F)cc(CN)cc2F)CCS1(=O)=O 2170281118 WWFQGJUEVYTOSG-BDAKNGLRSA-N 304.362 1.435 10 10 DDCE CNC1CCN(C(=O)NCc2cnc(SC)s2)CC1 2270031334 IWAOEIAMMCYPHI-UHFFFAOYSA-N 300.453 1.758 10 10 DDCE Cn1nc(Br)c(C(=O)N[C@H]2CCC[C@@H]2N=[N+]=[N-])n1 2219808363 FCZBNERUJKZJLP-WDSKDSINSA-N 314.147 1.539 10 10 DDCE COc1ccc(N2C[C@H](OC)[C@@H](OC)[C@H]2CO)cc1Cl 2235226419 QEKMMSZMYZDBHL-XBFCOCLRSA-N 301.770 1.560 10 10 DDCE C[C@@H](N)c1cnc(Sc2nnnn2CC(F)(F)F)s1 2225655410 DJHMTACNKVFNDS-SCSAIBSYSA-N 310.330 1.863 10 10 DDCE NC(=O)c1nc(CNCc2cc(Cl)cc(Cl)c2O)no1 2285849342 XLTOQFRYOWYBIY-UHFFFAOYSA-N 317.132 1.471 10 10 DDCE CN1CCc2cc(CNCC(C)(C)NS(C)(=O)=O)ccc21 109040837 HIUKVOMLELJWGU-UHFFFAOYSA-N 311.451 1.096 10 10 DDCE [N-]=[N+]=NCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1 127160903 XPJDZPZAFRYCEB-UHFFFAOYSA-N 311.732 1.898 10 10 DDCE CCc1ccc([C@H](C)NC=C2C(=O)NC(=S)NC2=O)cc1 72680441 AEDDYLDDBYUGEE-VIFPVBQESA-N 303.387 1.314 10 10 DDCE CC[C@@H](NCC1CN(S(=O)(=O)CC)C1)c1ccccc1O 190666924 IQLYFHDUJMOMFJ-CQSZACIVSA-N 312.435 1.714 10 10 DDCE COc1cc(Cl)c(N2CC[C@H](CO)[C@H](N)C2)c(OC)c1 2368300520 BORWXKRKAPKQMB-BXKDBHETSA-N 300.786 1.503 10 10 DDCE Cc1cc(O)c(CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1C 193472043 HQFDXSGWXIPCSC-MRXNPFEDSA-N 303.362 1.183 10 10 DDCE N[C@]1(C(=O)O)CCN(Cc2cc(Br)ccc2O)C1 236320497 ZNZDMPWQVADSNE-GFCCVEGCSA-N 315.167 1.143 10 10 DDCE CCCC[C@@H](NC(=O)NCC)C(=O)NCc1ccccc1O 269596828 OAHPLHLMBOAEMH-CYBMUJFWSA-N 307.394 1.886 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccn(C)c1=O 274929059 NCKQMLWFHHCRPE-JTQLQIEISA-N 302.330 1.158 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2[C@H]3CC[C@H]2[C@@H](CO)C3)cc1 289496870 JNVXJEMPKKXUTK-PVAVHDDUSA-N 317.433 1.214 10 10 DDCE CCOc1nc(C(F)(F)F)ccc1C(=O)OCC(=O)C(C)=O 808541693 OMCHDVVEOPMKQW-UHFFFAOYSA-N 319.235 1.814 10 10 DDCE CC[C@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NC 834914834 WWWNHZKAMJGNSY-DOMZBBRYSA-N 323.412 1.838 10 10 DDCE CCOC(=O)c1cc(/C=C2\SC(=S)N(CC)C2=O)[nH]n1 843263345 BVQOGWLSBHWJTH-TWGQIWQCSA-N 311.388 1.808 10 10 DDCE C[C@H](NC(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1O 926677498 PNBBQHLMAGEOGO-YFCNSXCBSA-N 306.362 1.556 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N(C)CCCCO)C2)cc1 854298616 GXDFNJUPSJSYAB-AWEZNQCLSA-N 321.421 1.688 10 10 DDCE CO[C@H]1CN2C(=O)N(Cc3ccc(N(C)C)cc3)C(=O)[C@]2(C)C1 865297347 SVDYANLOWLALKA-PBHICJAKSA-N 317.389 1.694 10 10 DDCE COc1cccc(CNC(=O)c2nc([C@H]3C[C@H]3C)no2)c1O 865925530 LZPOFHLGAOUUTN-SCZZXKLOSA-N 303.318 1.837 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 866597682 XLDZZQHTDCDWKY-NEPJUHHUSA-N 319.279 1.697 10 10 DDCE COc1ccc(CNCC(C)(C)CS(N)(=O)=O)cc1C 865814711 IDVGOTMLCKAMSO-UHFFFAOYSA-N 300.424 1.408 10 10 DDCE CCO[C@H]1COCC[C@H]1CC(=O)NCCc1ccc(O)c(O)c1 866757081 IXIKPEOJAZOKJJ-BBRMVZONSA-N 323.389 1.588 10 10 DDCE NC(=O)C[C@@H]1CN(Cc2ccc3ccccc3c2O)CCO1 862534519 DKEYWWVSRJVDPU-CQSZACIVSA-N 300.358 1.622 10 10 DDCE CCOCCNC(=O)COc1ccc(N(C)C)c(C(=O)OC)c1 865396369 PZGYNQZUMJCSBG-UHFFFAOYSA-N 324.377 1.071 10 10 DDCE COCCN1CCC[C@H]1CNCc1cc(C)cc(OC)c1O 894221728 PZONOCDKVCDTJR-HNNXBMFYSA-N 308.422 1.910 10 10 DDCE CN(Cc1ccc(N2CCCCC2)cc1)C1CS(=O)(=O)C1 895400744 LHXFCSCLWJMNCL-UHFFFAOYSA-N 308.447 1.906 10 10 DDCE CC(C)OC(=O)CC[C@@H](C)NC(=O)Cc1ccc(O)c(O)c1 1156605208 SBYHIFHRBQACHK-LLVKDONJSA-N 309.362 1.877 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC([C@@H]2CCOC2)CC1 1152155883 QTOJJOOUAGCQTM-CQSZACIVSA-N 305.374 1.915 10 10 DDCE CC(=O)c1cc(Cl)cc(CN[C@H](C)c2nnnn2C)c1O 1308133983 GHEZLLRZPPHLLC-SSDOTTSWSA-N 309.757 1.623 10 10 DDCE CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2C[C@H]2C)cc1 1257234817 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CC(=O)NCCCN1C(=O)/C(=C\c2ccc[nH]2)SC1=S 1858594102 LFKPGPVOGAKBEY-DHZHZOJOSA-N 309.416 1.742 10 10 DDCE CC(C)(C)OC(=O)N1CC(NC(=O)COc2ccc(N)cc2)C1 1977675629 DSBSLROCLBUVLI-UHFFFAOYSA-N 321.377 1.383 10 10 DDCE CN(C(=O)[C@H](O)CCNC(=O)OC(C)(C)C)c1ccc(N)cc1 1993319603 HMCSKBSUUAGOCW-CYBMUJFWSA-N 323.393 1.507 10 10 DDCE OCc1ccc(N2CC(N3CC(F)C3)C2)c(Br)c1 2041088547 SJLYQMNBMYJMDX-UHFFFAOYSA-N 315.186 1.784 10 10 DDCE C[C@@H](NCc1ccc(Br)cc1O)c1nc(O)n[nH]1 700975164 NONQPDLZDZKJEV-ZCFIWIBFSA-N 313.155 1.829 10 10 DDCE NCc1cc(F)c(N2CCC[C@H](CO)[C@@H]2CO)cc1Cl 2177384227 WUUCTJCFDCRINT-OTYXRUKQSA-N 302.777 1.507 10 10 DDCE C[C@H](N)[C@H]1CN(Cc2ccc(Br)cc2O)CCO1 691488819 DIXURCRGOIMJCA-TVQRCGJNSA-N 315.211 1.703 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H](C)C[C@@H]3CCOC3)c2n1 2062191851 LIIPWOLPKUACGF-KOLCDFICSA-N 304.350 1.288 10 10 DDCE C[C@@]1(O)CN(c2ccc(CN)cc2Br)CC[C@@H]1O 2081724022 QPQFQAVVPFKWGL-QWHCGFSZSA-N 315.211 1.230 10 10 DDCE C[C@H](O)c1ccc(N2CC(CS(C)(=O)=O)C2)cc1Cl 2103219099 ALSFCQHORLIGII-VIFPVBQESA-N 303.811 1.874 10 10 DDCE COc1ccc(N2CCC[C@H](C3OCCO3)C2)c(C(=O)O)c1 2227670587 RJJZVIGSGNATEG-NSHDSACASA-N 307.346 1.983 10 10 DDCE CNCc1ccc(N2CC3(CCC(=O)N3)C2)c(Br)c1 2229702531 YOFXRRDXWQZFMO-UHFFFAOYSA-N 324.222 1.637 10 10 DDCE CCC[C@H](C(=N)NO)C(=O)NCc1cnc(SC)s1 2269137036 FFKDIVPKDAZJLD-MRVPVSSYSA-N 302.425 1.854 10 10 DDCE CN=c1[nH]c(=NCc2cnc(SC)s2)[nH]cc1[N+](=O)[O-] 2284540113 YMOHPSJNEOZHPC-UHFFFAOYSA-N 312.380 1.061 10 10 DDCE COc1cc(OC)c(N2CC[C@@](C)(O)[C@H](O)C2)cc1Cl 2285865198 BOSQCUYVFFXFEQ-ZIAGYGMSSA-N 301.770 1.679 10 10 DDCE NCc1cc(F)c(N2C[C@H]3OCC[C@]3(CO)C2)cc1Cl 2296390895 FMCQUQDJBDFRJL-ZIAGYGMSSA-N 300.761 1.525 10 10 DDCE Oc1ccc(Br)cc1CNCc1nnn2c1CCC2 2338969057 PYGWDSJPPSBCMB-UHFFFAOYSA-N 323.194 1.982 10 10 DDCE COC(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccccc2O)C1 104853169 YCRMTWPAJVQSGX-CYBMUJFWSA-N 306.362 1.829 10 10 DDCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)C1CCOCC1 50199121 ZPEUXLORJKTREE-UHFFFAOYSA-N 312.435 1.990 10 10 DDCE CCCn1nc(C(=O)NCc2cc(OC)ccc2O)ccc1=O 114544272 LRYISEZQPXXVGO-UHFFFAOYSA-N 317.345 1.298 10 10 DDCE O=C1Nc2cc(N3CCOC[C@@H](F)C3)c(Cl)cc2[C@H]1O 2361819105 ITMHDMLMXJBMFK-JVXZTZIISA-N 300.717 1.500 10 10 DDCE CC(C)S(=O)(=O)N(C)Nc1nc([C@H]2C[C@@H]2C(=O)O)cs1 2365338320 AMVUWHDBAUOODI-YUMQZZPRSA-N 319.408 1.328 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H](C)C(N)=S)CC2)cc1 44830775 TUQRAVLQYDLCTP-LLVKDONJSA-N 307.419 1.266 10 10 DDCE C[C@]1(Br)C[C@H]1C(=O)NCc1ccc(O)c(O)c1 528867210 ZEAWQMHXNDMVMY-UFBFGSQYSA-N 300.152 1.888 10 10 DDCE CN(C)c1ccc(CNc2nc(N)c3cnn(C)c3n2)cc1F 278365070 KNJDZHPXIDHHOW-UHFFFAOYSA-N 315.356 1.763 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(Br)c(O)c1 808530137 NLAYTKKRDMHOMN-UHFFFAOYSA-N 301.092 1.470 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCc2nc[nH]c2C1 831924393 HFLVHHXQVWPLIF-PWSUYJOCSA-N 315.373 1.673 10 10 DDCE CN(Cc1ccccc1O)C(=O)CN1CCN(C2CC2)C1=O 830141307 QTGFQIMAFMSVEU-UHFFFAOYSA-N 303.362 1.251 10 10 DDCE CCN(CC(=O)NC)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 747621289 OHRUCTRCCDCADD-SOFGYWHQSA-N 321.333 1.353 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)[C@H](N)C(F)(F)F)cc1 846697949 ZFFPAPCSMPMROA-LBPRGKRZSA-N 319.327 1.479 10 10 DDCE COC(=O)N(C)CCN(C)Cc1cc(F)cc(C(C)=O)c1O 852570494 MUYJLYTVUVNBJV-UHFFFAOYSA-N 312.341 1.864 10 10 DDCE CCn1ccnc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 857545255 BSDYRGCHYYKTOI-UHFFFAOYSA-N 324.362 1.232 10 10 DDCE COc1ccc(O)c([C@@H](C)NC[C@]2(OCCO)CCOC2)c1 850510122 VFCKITIKMQOCRX-MLGOLLRUSA-N 311.378 1.219 10 10 DDCE COC(=O)C[C@H](CNC(=O)NCc1ccccc1O)C1CC1 852602336 FJLGYLXZPFHBCZ-CYBMUJFWSA-N 306.362 1.781 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CCc3ncc[nH]3)C2)cc1 855225484 NRZQODVRLMESGL-CYBMUJFWSA-N 314.389 1.746 10 10 DDCE CN1CC[C@H](C(=O)NCc2ccc3cccnc3c2O)CC1=O 862028740 JDVGDQQYFKWCAJ-LBPRGKRZSA-N 313.357 1.425 10 10 DDCE Nc1ccc(CC(=O)NC[C@H]2CC3(CCOCC3)CO2)cc1 867993775 BJUJPJDEYRBKFT-OAHLLOKOSA-N 304.390 1.513 10 10 DDCE c1cc(N2CCOCC2)ccc1CN[C@]12CCC[C@H]1NCC2 873229822 HDTMPVKAESEIKT-MSOLQXFVSA-N 301.434 1.897 10 10 DDCE COc1ccc(CN[C@H]2C(=O)NCC23CCOCC3)cc1C 895772983 NQVSHCURWSKTJR-HNNXBMFYSA-N 304.390 1.388 10 10 DDCE COc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(O)c1OC 893942391 GISHWBDUQJJLHB-VHRBIJSZSA-N 320.389 1.495 10 10 DDCE CCOc1ccc(/C=C2/C(=O)NC(=O)N(C)C2=O)cc1OC 1084524040 XPNCFZXYDHULBI-YFHOEESVSA-N 304.302 1.186 10 10 DDCE CS(=O)(=O)[C@H]1CCC[C@H](NCc2cccc(F)c2O)C1 1963496446 FKBZYWPHGIDOSL-RYUDHWBXSA-N 301.383 1.977 10 10 DDCE Cn1cc2c(n1)CCC[C@@H]2NC(=O)Cc1ccc(O)c(O)c1 1448462895 YZIUULRJDYNILJ-LBPRGKRZSA-N 301.346 1.568 10 10 DDCE CN1CCC[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1443771217 ISARCKLYGBJROP-NSHDSACASA-N 303.366 1.921 10 10 DDCE COCC[C@@H](Cc1ccco1)NC(=O)Cc1ccc(O)c(O)c1 1466805611 OWCQROOIJTWWRC-ZDUSSCGKSA-N 319.357 1.997 10 10 DDCE O=S1(=O)C[C@H]2[C@H](CNCc3cc(Cl)ccc3O)[C@H]2C1 2117982407 PAGGGXSNFPPEJE-CNDDSTCGSA-N 301.795 1.426 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc(-n2ccnc2)nn1 1633595458 WTJFLQYUCCWNSR-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE O=C(Cc1cccc2nsnc12)NCc1cccc(O)c1O 1637046405 RDPGJJOTYRUDJU-UHFFFAOYSA-N 315.354 1.961 10 10 DDCE C[C@H](CN(C)CCCO)NC(=O)c1ccc(N=NC(N)=O)cc1 1733064670 BHFGAEWHGGSLKW-LLVKDONJSA-N 321.381 1.282 10 10 DDCE CC(C)CNC(=O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1587737636 KGUXTKZHWQCYQI-UHFFFAOYSA-N 305.338 1.351 10 10 DDCE CC[C@@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CCS1 157482684 SWUFWRRFMCXIBA-NEPJUHHUSA-N 310.419 1.322 10 10 DDCE CC1=NN(C)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1865679550 SKLQIOVYHQCLDB-BJMVGYQFSA-N 303.274 1.597 10 10 DDCE CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc(O)c(O)c(O)c1 1866303093 KWPYOPQOVOPUNH-UHFFFAOYSA-N 313.313 1.952 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H](CCO)C(F)(F)F)cc1 1918532939 LYIKUSNXZXPPIY-JTQLQIEISA-N 312.313 1.002 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@@H]1CNCC(=O)N1 1952931221 PGPZVMDZILOFCW-JTQLQIEISA-N 307.350 1.500 10 10 DDCE CN1CCc2cc([C@@H](N)[C@@H](O)CNC(=O)OC(C)(C)C)ccc21 1977944665 JAOONDVXSHHLDE-LSDHHAIUSA-N 321.421 1.564 10 10 DDCE CNCc1ccc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c(F)c1 2170652857 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CSc1ncc(CN[C@]2(C(=O)O)C[C@H](C)O[C@@H]2C)s1 2345721853 VINFOSGWOMZBAJ-JOAULVNJSA-N 302.421 1.975 10 10 DDCE Cc1cc(N(C)[C@H]2CCS(=O)(=O)C2)ccc1CNC1CC1 50582642 FIEBCJOAARUHCO-INIZCTEOSA-N 308.447 1.870 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 112943738 BLLBSLXLIWSIQJ-JMSVASOKSA-N 310.419 1.756 10 10 DDCE CCN(Cc1cc([N+](=O)[O-])ccc1O)[C@H](C)CS(C)(=O)=O 173390313 WGNXIGIBORJHKS-SNVBAGLBSA-N 316.379 1.555 10 10 DDCE Cc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2ccc(N)cc2)n1 21499516 GAENWXZMNRTJBK-SECBINFHSA-N 304.375 1.780 10 10 DDCE CN(C)C(=O)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 177153767 VGNFZMCUUMXYEM-CQSZACIVSA-N 320.389 1.378 10 10 DDCE Nc1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 36283809 GONMJAIDRVCAKP-UHFFFAOYSA-N 309.303 1.683 10 10 DDCE CCOCCN1CCN(Cc2cccc(OC)c2O)C[C@@H]1C 120890988 ZVZLOTGVAUTVBL-AWEZNQCLSA-N 308.422 1.943 10 10 DDCE CCc1nc2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2n1 47154750 FHVWENSUTSEBCL-XFXZXTDPSA-N 300.387 1.327 10 10 DDCE CCN[C@H](c1ccc2c(c1)CCN2C)[C@H]1CCS(=O)(=O)C1 227029348 MJWRWIYZQXMOLE-GOEBONIOSA-N 308.447 1.764 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(O)c(O)c2O)C1 226754022 FDUCYPZRFOCRCJ-NSHDSACASA-N 324.377 1.902 10 10 DDCE CCNCc1ccc(N(C)CC(=O)NC)c(Br)c1 233508449 ITKVNYPCJYAJLY-UHFFFAOYSA-N 314.227 1.741 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCN3CCC[C@H]3C2)cc1 246590881 SVXSMKGLFLBTKC-KRWDZBQOSA-N 316.449 1.149 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CCN2CCC[C@H]2C1 245772562 SCMNEZOYTMEAMW-SFHVURJKSA-N 301.434 1.803 10 10 DDCE CN(CCNC(=O)c1ccc(O)c(O)c1)Cc1ccccc1 386497424 CDCZHRRVOKCFPW-UHFFFAOYSA-N 300.358 1.960 10 10 DDCE COc1ccc2c(c1)CCCCN2C[C@H](O)CN1CCOCC1 374295464 MPWYOZTUZSHRIL-MRXNPFEDSA-N 320.433 1.531 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccnc(N2CCC[C@H](C)C2)c1 812650887 MGRKRBCWHMJAQN-NSHDSACASA-N 304.346 1.633 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=O)Cc3ccon3)C2)cc1 819584966 VKTFQRNQQQSZTC-ZDUSSCGKSA-N 315.373 1.868 10 10 DDCE Cc1ccc(-n2[nH]nnc2=NCCc2ccc(O)c(O)c2)cc1 811810768 BACHCZCFVJOSAR-UHFFFAOYSA-N 311.345 1.458 10 10 DDCE CO[C@@H]1COCC[C@@H]1CC(=O)NCc1ccc(N(C)C)c(F)c1 822862719 KXFYQMZITZCHRS-CZUORRHYSA-N 324.396 1.950 10 10 DDCE COc1cc(O)ccc1NS(=O)(=O)c1cnc2n1CCC2 901703564 IMLZKVXRPAGXIX-UHFFFAOYSA-N 309.347 1.344 10 10 DDCE C[C@@H](O)[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CCO1 840975907 AKAISRHVNGSGDL-QAPCUYQASA-N 319.449 1.020 10 10 DDCE COc1ccc(N2CCCN(C[C@H]3CNCCO3)CC2)cc1 852746577 ONQMJTZRBJHUHC-QGZVFWFLSA-N 305.422 1.196 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H]3CCOC[C@@H]3[C@H](C)N)C2)cc1 854217436 NLSBSHAKBYXJLD-LBTBCDHLSA-N 319.449 1.616 10 10 DDCE C[C@@H]1OCCO[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 930206478 YDZTUNUAFMALEV-BBRMVZONSA-N 304.390 1.707 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc(CO)c(Cl)c1 696848148 QQNBNPMHNSXPEE-QWHCGFSZSA-N 319.810 1.081 10 10 DDCE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccc(F)c(F)c1O 876738964 MOQZSLLOVSDINS-DTWKUNHWSA-N 307.362 1.924 10 10 DDCE CC(=O)c1cn(C2CN(Cc3ccc(F)c(F)c3O)C2)nn1 897941222 SDTXVEDGDYJPNR-UHFFFAOYSA-N 308.288 1.521 10 10 DDCE C[C@@H](NC(=O)C[C@@H]1CCC(=O)NC1)c1ccc(N(C)C)cc1 1138363704 QLLWNEQCCMYOJT-OLZOCXBDSA-N 303.406 1.846 10 10 DDCE CCn1nc(C)c(CNC(=O)c2ccc(N=NC(N)=O)cc2)n1 1162734398 RFJICIXLEBDUPQ-UHFFFAOYSA-N 315.337 1.699 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](O)[C@@H]3C)C2)cc1 1230859461 ZTKKLAQDBGTPCW-ZENOOKHLSA-N 319.405 1.439 10 10 DDCE C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)C[C@H]1F 1325834990 MBJZTHCAIODWAR-DGCLKSJQSA-N 308.353 1.557 10 10 DDCE C[C@@H]1CS(=O)(=O)C[C@H]1Nc1c(N)cccc1Br 711676918 XOMTUDWOJAUMSM-GMSGAONNSA-N 319.224 1.876 10 10 DDCE CNCc1ccc(N(C)[C@H](C)CS(C)(=O)=O)c(Cl)c1 688552754 ZLBRQJLESLCPKJ-SNVBAGLBSA-N 304.843 1.929 10 10 DDCE NC(=O)CC1CC(NCc2ccc(Br)cc2O)C1 718399571 PZBKMNALBTWZKY-UHFFFAOYSA-N 313.195 1.898 10 10 DDCE COC(=O)COc1ccc(N(C)C[C@H]2CCC3(COC3)O2)cc1 1333314702 SQVBPGSHXQXFKP-OAHLLOKOSA-N 321.373 1.623 10 10 DDCE CCS(=O)(=O)[C@@H]1CSCCN1Cc1cc(N)ccc1O 90926548 FKIBNUJVFAZVEZ-CYBMUJFWSA-N 316.448 1.284 10 10 DDCE C[C@H]1CN(CCO)CCN1Cc1ccc(N2CCCC2)cc1 1344075178 MFAAHIQZPPDTCB-INIZCTEOSA-N 303.450 1.785 10 10 DDCE COc1cc(CNC2CC2)ccc1N1CCN(C(C)=O)CC1 212684039 TVTPGHXRNYJRQX-UHFFFAOYSA-N 303.406 1.616 10 10 DDCE Cc1cc(C(=O)NCc2cc(O)ccc2O)ccc1-n1cncn1 1455357996 ZGVSCUQKGPFOOG-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE COc1ccnc(OC)c1C(=O)NCc1ccc(O)c(O)c1 1465954568 QXJJMXUFNZENDC-UHFFFAOYSA-N 304.302 1.440 10 10 DDCE C[C@H](C[C@@H](O)c1ccco1)NC(=O)Cc1ccc(O)c(O)c1 1622058207 JPZUEPGQZYZXCA-QMTHXVAHSA-N 305.330 1.862 10 10 DDCE COC(=O)c1coc(/C=C\C(=O)NCc2c(O)cccc2O)c1 1639292559 HZJTYUCFQRJEBD-WAYWQWQTSA-N 317.297 1.807 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](N2CCC2)[C@@H](F)C1 1568543929 PZYFQVBPVNOMCV-QWHCGFSZSA-N 308.353 1.285 10 10 DDCE COC[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](C)O1 1638833310 NASJJHILIJVRCK-GXFFZTMASA-N 320.349 1.725 10 10 DDCE O=C1C[C@](C(=O)NCc2ccccc2O)(c2ccccc2)CN1 1595793700 ZUCYAIQSVZEUIT-GOSISDBHSA-N 310.353 1.466 10 10 DDCE CCNC(=O)c1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1 13631589 YRROWSNBTHNUMF-UHFFFAOYSA-N 318.329 1.568 10 10 DDCE CNCc1ccc(N2CCN(C)C(=O)C2)cc1C(F)(F)F 167382537 BLKZDXCSCXWJNL-UHFFFAOYSA-N 301.312 1.703 10 10 DDCE COc1ccc(C(=O)C(=O)c2c(O)cc(O)cc2O)c(OC)c1 207149963 CVIYKZDUUJKTQS-UHFFFAOYSA-N 318.281 1.886 10 10 DDCE Nc1ccc(Cc2ccc(NC(=O)[C@@H](N)CC(=O)O)cc2)cc1 1865998259 APMHYZFZUCFALV-HNNXBMFYSA-N 313.357 1.600 10 10 DDCE CN(C)c1ncc(/C=C/C(=O)N(CCO)c2ccccc2)cn1 1866371635 QGAIXHSHQCQHEA-CMDGGOBGSA-N 312.373 1.581 10 10 DDCE Cc1ccc(CN(C)S(N)(=O)=O)c(O)c1Br 1905133174 CNCBVSCGGYQPJY-UHFFFAOYSA-N 309.185 1.098 10 10 DDCE CC1(C)C[C@@H](NCc2cccc(F)c2O)CCS1(=O)=O 2144172047 VJMAUYZHDODPBR-NSHDSACASA-N 301.383 1.977 10 10 DDCE CN(c1ccc(CN)cc1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1977855452 ZZFCJOYWSVXOSC-GJZGRUSLSA-N 321.421 1.562 10 10 DDCE CN(C(=O)OC(C)(C)C)C1CC(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980378588 VXHIESYESRZXHI-RUXNMCCTSA-N 324.421 1.898 10 10 DDCE CNCc1ccc(N2CC([S@](C)=O)C2)cc1C(F)(F)F 2171951310 NNULQIOHQMVHSQ-FQEVSTJZSA-N 306.353 1.992 10 10 DDCE C[C@@H](C(N)=O)N(C)c1ccc([C@@H](C)N)c(Br)c1 723182904 PLYBJXYFIRJSES-SFYZADRCSA-N 300.200 1.779 10 10 DDCE CCOC(=O)c1c(C(C)(C)C)nn2c(O)cc(CC(=O)O)nc12 2080933320 HXUBHNWZAQTIEV-UHFFFAOYSA-N 321.333 1.536 10 10 DDCE NCC[C@@H]1CN(Cc2c(O)cccc2Br)CCO1 2055859664 NRQUJGDDRITFIO-SNVBAGLBSA-N 315.211 1.704 10 10 DDCE O=C1N[C@@H]2CN(c3ccc(CO)cc3Br)C[C@@H]2O1 2056810679 BPMNERXMDKTREM-KOLCDFICSA-N 313.151 1.238 10 10 DDCE O=C(NCC1CCC2(CC1)OCCO2)c1cc(O)nc(O)c1 2090785658 SGQZHHYTPWSTFZ-UHFFFAOYSA-N 308.334 1.156 10 10 DDCE Cc1nnc(CN(C)c2ccc(CN)cc2Br)n1C 2090795892 YGLXMIWOHKWGGR-UHFFFAOYSA-N 324.226 1.981 10 10 DDCE C[C@@H](O)c1ccc(N2CC(S(=O)(=O)C(F)(F)F)C2)cc1 2237659179 WCHCKRNVGOUXLN-MRVPVSSYSA-N 309.309 1.863 10 10 DDCE Cc1cc(O)cc(C)c1NS(=O)(=O)N1CCC(O)CC1 2239668107 CETJQCJGPZSFJD-UHFFFAOYSA-N 300.380 1.122 10 10 DDCE Cc1cc([C@@H](C)O)ccc1N(C)CCS(=O)(=O)N(C)C 2240830354 NIQJHBWQGCUOKV-GFCCVEGCSA-N 300.424 1.376 10 10 DDCE CCc1ncc(S(=O)(=O)NCc2cnc(SC)s2)[nH]1 2269269427 CTSPAXBZGCFAPD-UHFFFAOYSA-N 318.449 1.629 10 10 DDCE COC(=O)C1(O)CN(c2cc(Cl)c(OC)cc2OC)C1 2285853866 LHIKQUKAECKGEJ-UHFFFAOYSA-N 301.726 1.081 10 10 DDCE COc1ccc(N2C[C@@H](OC)[C@@H](OC)[C@@H]2CO)cc1Cl 2358656244 QEKMMSZMYZDBHL-YUTCNCBUSA-N 301.770 1.560 10 10 DDCE COc1cccc(CNC(=O)Cn2cccc(C)c2=O)c1O 181667850 NSHFXFDEDISCBB-UHFFFAOYSA-N 302.330 1.187 10 10 DDCE Cc1cc(OCC(=O)O)nc(NCc2ccc(N(C)C)cc2)n1 73706271 SXHXAXOUYIMQHU-UHFFFAOYSA-N 316.361 1.927 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2c[nH]c(=O)cc2C)c1 133083664 JPWPXANIRJFJBG-SNVBAGLBSA-N 302.330 1.889 10 10 DDCE CC[C@@H](NC[C@H](O)CO)c1cc(Br)ccc1O 90282494 AXHPUNQBAXHEIL-GXSJLCMTSA-N 304.184 1.549 10 10 DDCE CCOc1cccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c1O 245697780 CPEZPBWTCGTQIX-KBPBESRZSA-N 308.422 1.678 10 10 DDCE Cc1ccccc1/C=C1\SC(N(CCO)CCO)=NC1=O 606618915 VVLUGCSFQCQPBA-RAXLEYEMSA-N 306.387 1.252 10 10 DDCE CC[C@@H](O)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 826069190 TXAGIWOEZBRTLL-QGZVFWFLSA-N 320.433 1.673 10 10 DDCE Cn1ncc(CCC(=O)NCCCSc2nccs2)n1 823298067 NAJBYKTXWQTEDI-UHFFFAOYSA-N 311.436 1.503 10 10 DDCE CCN(CC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCCOC1 844403548 GLIORYLLPKXLHP-KRWDZBQOSA-N 319.449 1.870 10 10 DDCE C[C@@H]1CCNC[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 841975958 JIZXSTZPIOKWKV-CJNGLKHVSA-N 304.438 1.892 10 10 DDCE Nc1ccc(Cc2noc([C@@]34C[C@H]5C[C@H](C(=O)N3)[C@H]4C5)n2)cc1 844905845 HWQGECOCCOBICO-AKENFEQQSA-N 310.357 1.614 10 10 DDCE CC(C)(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(N)cc2)C[C@@H]1O 841115277 PUSHPDCTRZZCQU-KBPBESRZSA-N 319.405 1.463 10 10 DDCE COCCCCN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 842049925 DEHULRNOEOMOJC-UHFFFAOYSA-N 309.322 1.789 10 10 DDCE CS(=O)(=O)N1CC[C@@H](COc2ccc(N3CCCC3)cc2)C1 853674910 KPCUAGSPCPZVDO-CQSZACIVSA-N 324.446 1.947 10 10 DDCE CN1CCN(c2ccc(CO)c(Br)c2)[C@H](CO)C1 699544069 PSVGWDJNKRNYHN-LBPRGKRZSA-N 315.211 1.054 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H]2CCC[C@]2(CO)C1 863228226 FQGOCRKVSCZWTF-PGDFJFJFSA-N 303.358 1.732 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NCC2(N)CCOCC2)c1 863541521 NUHOAAITKSZMHG-LLVKDONJSA-N 308.378 1.337 10 10 DDCE NC(=O)C[C@H]1CN(Cc2c(O)ccc3ccccc23)CCO1 862534794 HDRPTOGKWYCNST-ZDUSSCGKSA-N 300.358 1.622 10 10 DDCE CN1CCCc2cc(CNC(=O)c3ccnc4[nH]nnc34)ccc21 773879554 LHBOELDEKUUUGJ-UHFFFAOYSA-N 322.372 1.665 10 10 DDCE CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)c1cc(O)cs1 880503453 YACGXZHGFVBFFY-OLZOCXBDSA-N 310.419 1.683 10 10 DDCE CS(=O)(=O)N1CC(CNCc2ccc(Cl)cc2O)C1 1181125135 KAVLATYZRICYDT-UHFFFAOYSA-N 304.799 1.027 10 10 DDCE Cc1ccc(CN(C)C(=O)C(=O)N(C)Cc2ccccc2O)o1 1326826541 FRFCYOICGUZEAZ-UHFFFAOYSA-N 316.357 1.911 10 10 DDCE C[C@@H]1CS(=O)(=O)C[C@@H]1Nc1c(N)cccc1Br 711676921 XOMTUDWOJAUMSM-XCBNKYQSSA-N 319.224 1.876 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2CC[C@H]3CN(C)C[C@@H]32)c1O 1346659627 BLYGPRSLPGPERG-MELADBBJSA-N 319.405 1.540 10 10 DDCE CCO/C=C/C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC 1611050249 XFIWATATAGRNFM-GUOLPTJISA-N 323.345 1.238 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)cc1 1625730551 TXFQPCLJPQFANO-WXHSDQCUSA-N 302.334 1.834 10 10 DDCE C[C@@H](NC(=O)c1cccc(-n2[nH]nnc2=N)c1)c1ccccc1O 1557967487 DSYMVKRAUXXVIB-SNVBAGLBSA-N 324.344 1.271 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2cnn[nH]2)cc1C 1491508438 AKOSCSQPTRWKHD-NSHDSACASA-N 303.366 1.030 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@@H](O)c1cccc([N+](=O)[O-])c1 1639444351 ILWCKKVRCFPIAM-AWEZNQCLSA-N 318.285 1.356 10 10 DDCE COc1ccc(COCC(=O)NCc2ccc(O)cc2O)cc1 1643104396 WZNWMUQCZPUFQO-UHFFFAOYSA-N 317.341 1.939 10 10 DDCE CNCc1ccc(N2CCS(=O)(=O)CC2)c(C(F)(F)F)c1 163678471 HLQZIQODKBORCD-UHFFFAOYSA-N 322.352 1.660 10 10 DDCE CC[C@@H](N)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C 1865949978 WORJKKALUVHSTI-HUUCEWRRSA-N 315.421 1.429 10 10 DDCE C[C@@H](NCc1cc(F)cc(F)c1O)[C@@H]1CCS(=O)(=O)C1 2146102484 GCPDTZCUFFUNQD-RKDXNWHRSA-N 305.346 1.583 10 10 DDCE CNCc1ccc(N2CCNC(=O)C(F)(F)C2)cc1Cl 2146733784 AMDWGLJMHULSCG-UHFFFAOYSA-N 303.740 1.631 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(c2cc(O)c(O)c(O)c2)CCNC1 1952177563 KJMMNPUVNVXANM-OAHLLOKOSA-N 310.350 1.517 10 10 DDCE O=S1(=O)C[C@H]2CC(NCc3cc(Cl)ccc3O)C[C@@H]2C1 1974475821 JLKNJJIBCULLEY-GHMZBOCLSA-N 315.822 1.958 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1Cl 2145074106 RGXDYLFJGCQSLE-PKFCDNJMSA-N 314.838 1.983 10 10 DDCE CCNCc1ccc(N2CC(CS(C)(=O)=O)C2)c(F)c1 2159447779 MCAFLYDTCUNHMS-UHFFFAOYSA-N 300.399 1.416 10 10 DDCE CN(c1ccc(CO)cc1C(F)(F)F)C1CS(=O)(=O)C1 2152233529 IKGWGOYBYYOOQT-UHFFFAOYSA-N 309.309 1.431 10 10 DDCE CN(C)CCCNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2042435156 QHTJMDAYCMRBOE-UHFFFAOYSA-N 317.433 1.604 10 10 DDCE CCN(c1ccc([C@@H](C)N)cc1F)[C@@H]1CCS(=O)(=O)C1 387297841 QJTMRILNNPSDPF-ZYHUDNBSSA-N 300.399 1.859 10 10 DDCE CS(=O)(=O)N1CCC[C@H](CN2CCC[C@H]2CN=[N+]=[N-])C1 2179616281 NMUXEJQXUUPYMD-NEPJUHHUSA-N 301.416 1.433 10 10 DDCE CCNC(=O)c1ccnn1[C@@H](C)c1cc([N+](=O)[O-])ccc1O 2069924787 AFBZXCBGVLKUHS-VIFPVBQESA-N 304.306 1.856 10 10 DDCE CN1C[C@H](N(C)Cc2cc(Br)ccc2O)CC1=O 2068190391 LJGRLULUYHWVQH-LLVKDONJSA-N 313.195 1.817 10 10 DDCE OC[C@H]1COCC[C@H]1NCc1ccc(Br)cc1O 2072981538 RLKLKRUVNKOTKR-CMPLNLGQSA-N 316.195 1.642 10 10 DDCE CN(Cc1ccc(Cl)cc1O)C[C@H]1CCS(=O)(=O)C1 2092352820 MPDOPQNMDHSYSH-SNVBAGLBSA-N 303.811 1.912 10 10 DDCE CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccc(O)c(O)c1 2243619167 ZTBDKUKPGSUFOS-PLNGDYQASA-N 322.361 1.909 10 10 DDCE CN(C)CCN(CCN)Cc1ccc(Br)cc1O 2254628035 CGOUMFBJZUQXGR-UHFFFAOYSA-N 316.243 1.477 10 10 DDCE Oc1cc(O)c(CNCCNC2CC2)cc1Br 2248029211 WJNADKPPSOXRLI-UHFFFAOYSA-N 301.184 1.702 10 10 DDCE CCO[C@@]1(CSc2ncc(C(=N)NO)s2)CCOC1 2278776524 HXNCQDVSVZJDSH-NSHDSACASA-N 303.409 1.735 10 10 DDCE CSc1ncc(CNC[C@@H]2[C@@H](CO)[C@H]3CC[C@H]2O3)s1 2269310505 HHEYSRWJTQKXKD-DDHJBXDOSA-N 300.449 1.741 10 10 DDCE CN(C(=O)C=Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCNC1 2301702979 VWAJXLPKDAOKHM-QGZVFWFLSA-N 315.417 1.357 10 10 DDCE C[C@@H](N)c1ccc(N2CC([C@@H](O)CO)C2)cc1Br 2315155896 BMPARJGKNJQOLF-OQPBUACISA-N 315.211 1.258 10 10 DDCE CCOC(=O)COc1ccc(/C=C2\C(=O)NN=C2C)cc1OC 35519891 GSUUSKHLIBDJDM-GHXNOFRVSA-N 318.329 1.526 10 10 DDCE CO[C@@H](CCS(C)(=O)=O)CNCc1c(O)cccc1Cl 2364091210 CDHFDXLILJFMCF-JTQLQIEISA-N 321.826 1.585 10 10 DDCE C[C@@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc(N)cc1 41023413 PHKWURAYRLMVGU-SSDOTTSWSA-N 304.379 1.343 10 10 DDCE COCc1cc(O)ccc1NS(=O)(=O)CCOCC1CC1 818051255 HBLGWKWHKJNFKO-UHFFFAOYSA-N 315.391 1.707 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCN(C)C3)C2)cc1 824372410 BPYLSORMVHREMM-GJZGRUSLSA-N 317.433 1.732 10 10 DDCE CCc1cc(NC(=O)C(=O)NCc2cccc(OC)c2O)no1 740493190 BRIFWECLLRXINB-UHFFFAOYSA-N 319.317 1.206 10 10 DDCE COC(=O)C1(CS(=O)(=O)NCc2cc(C)ccc2O)CC1 867559148 GZZWVKFIKMVKOJ-UHFFFAOYSA-N 313.375 1.073 10 10 DDCE CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(O)cs1 1138214452 GAVZCXTYZYJARK-GFCCVEGCSA-N 304.371 1.541 10 10 DDCE COC(=O)CN(CCC(F)(F)F)C(=O)c1cccc(O)c1O 1137271833 XMMBFRQBFMBJBI-UHFFFAOYSA-N 321.251 1.665 10 10 DDCE C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C[C@H]1F 1321920079 ASXXTFQTQQWEIM-SWLSCSKDSA-N 321.396 1.575 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@@H]2COC[C@@H]2O)cc1Br 708719958 KGLMHMKYLYJNFW-CKLFPEKLSA-N 316.195 1.698 10 10 DDCE CC(C)(CNCc1cc(F)cc(F)c1O)CS(C)(=O)=O 723850965 RDXNQWNCBQXMKL-UHFFFAOYSA-N 307.362 1.831 10 10 DDCE CCN[C@H](C)c1ccc(N(C)CCS(C)(=O)=O)cc1O 94298848 ZPBRPDNADQBPIY-LLVKDONJSA-N 300.424 1.544 10 10 DDCE O=S(=O)(NCCN[C@@H]1CCc2cccc(O)c21)C(F)F 1964514118 KNSKCKPRAYYMHX-SECBINFHSA-N 306.334 1.111 10 10 DDCE O=Cc1cccc(OCCC(=O)NCc2ccc(O)cc2O)c1 1299573578 LGCULCCLCYQKOO-UHFFFAOYSA-N 315.325 1.996 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)N2CCc3ncc(C)cc32)c1 1523298332 MJYOTSXZJYHVKE-ONEGZZNKSA-N 322.368 1.747 10 10 DDCE Cc1cnc(C2(NC(=O)c3cccc(O)c3O)CCOCC2)[nH]1 1472102117 IXZNDXCIAOJUIS-UHFFFAOYSA-N 317.345 1.565 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cc3n(n2)CCC[C@@H]3O)cc1 1539049434 HKXJQLIFSNGDGL-INIZCTEOSA-N 314.389 1.706 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)C2CCC2)cc1C 1700780336 JOPGVDUMCJETFP-HNNXBMFYSA-N 306.406 1.370 10 10 DDCE CC(C)(C(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1)S(C)(=O)=O 1912147751 YYENFULOEJKDDG-JTQLQIEISA-N 302.400 1.749 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)CCOCCO)c([N+](=O)[O-])c1 1773055436 VIXXPPZRCPMQCI-XQRVVYSFSA-N 324.333 1.226 10 10 DDCE COCCS(=O)(=O)CCN[C@@H](C)c1cc(C)ccc1O 2204667103 KZDNKEFESVGOSA-LBPRGKRZSA-N 301.408 1.412 10 10 DDCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1cncc(Br)c1 166215820 AAVUQMRMADEPAU-VIFPVBQESA-N 313.159 1.661 10 10 DDCE CC(C)NCc1ccc(N2CCOC[C@@H]2C(N)=O)c(Cl)c1 159015413 FWZXSYQKZJOAOY-CQSZACIVSA-N 311.813 1.529 10 10 DDCE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1893863281 BSCCXJLHCQSYQQ-IJLUTSLNSA-N 310.394 1.652 10 10 DDCE CC(C)(C)OC(=O)N1CC([C@@H](O)[C@H](N)c2ccccc2O)C1 1920142939 KBVLFLFADZQEJK-ZIAGYGMSSA-N 308.378 1.620 10 10 DDCE C[C@H](N)c1ccc(N(C)CCS(=O)(=O)N(C)C)c(F)c1 2151043251 AENRLBLKZOVIBB-JTQLQIEISA-N 303.403 1.173 10 10 DDCE O=S(=O)(Nc1ccc(O)c(C(F)(F)F)c1)c1ncc[nH]1 2152907741 TVRCAMKGAYIDHL-UHFFFAOYSA-N 307.253 1.935 10 10 DDCE C[C@@H](NCc1c(O)cccc1F)[C@@H]1CCCS(=O)(=O)C1 2160773034 VGJRLIAEFZHYIC-GHMZBOCLSA-N 301.383 1.834 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@]34C[C@H]3COC4(C)C)c2n1 2065069958 BKTUUJKBSCHTPJ-BJOHPYRUSA-N 302.334 1.041 10 10 DDCE CCN(CCS(C)(=O)=O)c1c(F)cc([C@H](C)O)cc1F 2194522007 ZEMKXACNLOPXND-VIFPVBQESA-N 307.362 1.889 10 10 DDCE N[C@H]1CC[C@@H](CS(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 2087451147 NASAFRCLRNKMMO-BDAKNGLRSA-N 304.799 1.915 10 10 DDCE CN(CCS(=O)(=O)N(C)C)Cc1cc(Cl)ccc1O 2094682593 GUBIEINASKIHFI-UHFFFAOYSA-N 306.815 1.369 10 10 DDCE Cn1nc(Br)c(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)n1 2219806357 LZZXAYBIMCQBII-LURJTMIESA-N 314.147 1.350 10 10 DDCE O=C(Nc1cnncc1Br)c1cccc(O)c1O 2264121464 XBZIQUYRWDYMQR-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE CSc1ncc(CNC(=O)c2c(C(=O)O)cnn2C)s1 2284550869 JXNLDJBWAVKFTI-UHFFFAOYSA-N 312.376 1.227 10 10 DDCE O=C1C(=Cc2ccc[nH]2)SC(=S)N1CCN1CCOCC1 2323744389 YWCIHNBRTKDLII-UHFFFAOYSA-N 323.443 1.548 10 10 DDCE Cc1ccc(CN(C)C[C@H](N)CO)c(O)c1Br 2307465356 FTJFFTUGODAFKU-JTQLQIEISA-N 303.200 1.215 10 10 DDCE C[C@H]1C[C@H](NC=C2C(=O)N(C)C(=O)N(C)C2=O)CC(C)(C)C1 59922789 AMZJJUAMGMBDNO-QWRGUYRKSA-N 307.394 1.725 10 10 DDCE O=C1CCCN1C1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 104727489 KRENERYISDKAQO-UHFFFAOYSA-N 319.361 1.887 10 10 DDCE CN(C)c1ccc(CNC(=O)NCCCn2ccnn2)cc1F 183561533 ROAWPYRIDBRBPQ-UHFFFAOYSA-N 320.372 1.373 10 10 DDCE CN(c1ccc(CN)c(F)c1)[C@@H]1CC[C@@H](S(C)(=O)=O)C1 2361594031 XDFJZYVWZXWGCB-DGCLKSJQSA-N 300.399 1.686 10 10 DDCE CCNCc1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)cc1Cl 2361608445 FUSONDPLDVXBNX-SMDDNHRTSA-N 314.838 1.683 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H](CO)C3)cc2N1 301114212 XYTWTHWDSZEJIJ-VIFPVBQESA-N 307.306 1.134 10 10 DDCE CN(C[C@H]1CCCO1)S(=O)(=O)CCOc1ccc(N)cc1 70490763 AADNCDMGNRKKKU-CQSZACIVSA-N 314.407 1.088 10 10 DDCE Nc1ccc(CS(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)cc1 40337587 NMWDUHDEVIUFCQ-ZDUSSCGKSA-N 310.419 1.600 10 10 DDCE COCCS(=O)(=O)Cc1cc(CNC2CC2)ccc1OC 81943122 CCSWDRUHWUNABE-UHFFFAOYSA-N 313.419 1.508 10 10 DDCE C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)CSC1=S 82337245 OZJNSLJMFDOEMH-SECBINFHSA-N 306.412 1.825 10 10 DDCE O=C1CC[C@@H](c2cccc(I)c2O)N1 238725469 RDVDJTQWSJBPAT-QMMMGPOBSA-N 303.099 1.948 10 10 DDCE CC(C)(NC(=O)c1csc(Cc2ccc(N)cc2)n1)C(N)=O 817924292 ODYOGAZQIAFAPG-UHFFFAOYSA-N 318.402 1.310 10 10 DDCE CCOC(=O)c1cc(C(=O)N(C)Cc2ccccc2O)on1 825487706 XHWNWVRSLLOKGZ-UHFFFAOYSA-N 304.302 1.829 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@@H](N)C(C)(C)C1 903556127 NQEHGLBDPZDKFM-MRXNPFEDSA-N 318.465 1.380 10 10 DDCE COc1c(C(=O)NCc2ccc(N(C)C)cc2C)cnn1C 839683013 JPBGSVSKQALWHJ-UHFFFAOYSA-N 302.378 1.733 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)O[C@@H]3CCOC3)C2)cc1 917168217 APMGANSEQKOKIB-SWLSCSKDSA-N 306.362 1.789 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@@](O)(C(F)F)C2)cc1 836229322 BIUNVWCRAWTWDD-HNNXBMFYSA-N 313.348 1.664 10 10 DDCE Cc1cc(O)c(CN2CCC[C@@]3(C2)NC(=O)NC3=O)c(Cl)c1 840941106 SBZVPAABTZFJRJ-HNNXBMFYSA-N 323.780 1.528 10 10 DDCE CO[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCOC1 852439447 FSCKEFUOYVUKEL-GOEBONIOSA-N 321.421 1.603 10 10 DDCE COc1ccc(CNC[C@]2(OC)CCS(=O)(=O)C2)cc1C 922616366 VMUMGJGTHJJVQW-OAHLLOKOSA-N 313.419 1.297 10 10 DDCE Cc1cn(C)nc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 850340025 SIPZMJZJXZSMDI-UHFFFAOYSA-N 315.377 1.049 10 10 DDCE COC(=O)CCNC(=O)CCN[C@@H](C)c1cc(C)ccc1O 858542790 XRODPWPDDJQFDY-LBPRGKRZSA-N 308.378 1.421 10 10 DDCE COCC[C@H](COC)NC(=O)NCc1c(O)cccc1F 922537612 GWOPQBHVIRJTDA-SNVBAGLBSA-N 300.330 1.382 10 10 DDCE CCOC(=O)NCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855229949 AZNUGRQVDXSVPC-GFCCVEGCSA-N 321.377 1.136 10 10 DDCE COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(N(C)C)cc2)O1 860949652 CEHHUGQPBLFJIE-DFBGVHRSSA-N 320.389 1.650 10 10 DDCE CCOc1ccc(CN2C[C@@H](C(=O)OC)O[C@H](C)C2)c(O)c1 862485571 ADIWDOZRHXDZBP-ABAIWWIYSA-N 309.362 1.553 10 10 DDCE O[C@H](CCNCc1ccc(N2CCOCC2)c(F)c1)C(F)F 865688588 HHIJSXMAPAPSEQ-CQSZACIVSA-N 318.339 1.768 10 10 DDCE Cn1cc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)nn1 783004888 RQTOTBHWSHYNBB-UHFFFAOYSA-N 312.377 1.191 10 10 DDCE O=C1OCCN1CCNCc1ccc(Br)cc1O 1963611166 BPGHBQZRQKFUQA-UHFFFAOYSA-N 315.167 1.697 10 10 DDCE CO[C@@](C)(CO)CNCc1ccc(Br)cc1O 702531192 DGUGPRUAGBOFFS-GFCCVEGCSA-N 304.184 1.642 10 10 DDCE CC(C)(CNS(C)(=O)=O)NCc1c(O)cccc1Cl 708308673 PYDHDHLHSTUZPD-UHFFFAOYSA-N 306.815 1.463 10 10 DDCE C[C@@H]1CCSCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1329809975 IRIPLECFUDNWHL-LLVKDONJSA-N 320.414 1.588 10 10 DDCE Nc1cccc(Br)c1N[C@H]1CCS(=O)(=O)C1 697503029 ZVQNFBAABOKHKL-ZETCQYMHSA-N 305.197 1.630 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1COC2(CCC2)C1 1334547652 DKAINBVIGTWEMT-ZDUSSCGKSA-N 318.373 1.178 10 10 DDCE Cc1nn(C)c2c1N(C(=O)Cc1ccc(O)c(O)c1)CCO2 1445989654 SKBVTCRCKUECSD-UHFFFAOYSA-N 303.318 1.108 10 10 DDCE CNCc1ccc(N(C)Cc2ncn(C)n2)cc1Br 2121856471 XQQOAFDNOSCCJU-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE C[S@@](=O)Cc1cccc(C(=O)NCc2c(O)cccc2O)c1 1639288915 BFITZDFHUPJUCD-JOCHJYFZSA-N 319.382 1.906 10 10 DDCE CNC(=O)N[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 1654085561 JNLCRMZENZXKIT-HNNXBMFYSA-N 318.421 1.027 10 10 DDCE CC(C)(C)N1CC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1584383552 PEJOEBHQJNIGCZ-ZDUSSCGKSA-N 306.406 1.877 10 10 DDCE O=C1C[C@@](C(=O)NCc2ccccc2O)(c2ccccc2)CN1 1595793701 ZUCYAIQSVZEUIT-SFHVURJKSA-N 310.353 1.466 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1 1985980282 FYOHWBMBZOSHGR-CYDGBPFRSA-N 324.421 1.945 10 10 DDCE CNCc1ccc(N2C[C@H]3C[C@@]3(CO)C2)cc1Br 2029639737 VTBPYHLPUXAMCV-RISCZKNCSA-N 311.223 1.987 10 10 DDCE CCNCc1ccc(N(C)CCCS(C)(=O)=O)c(F)c1 694171642 WOEFYQVHJPJRQQ-UHFFFAOYSA-N 302.415 1.806 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H](CCO)C3CCCC3)c2n1 2063083667 MTENZDXBNHNYBP-CYBMUJFWSA-N 318.377 1.414 10 10 DDCE CN(CC1(S(C)(=O)=O)CC1)c1c(F)cc(CN)cc1F 2167826285 UXNJRYHERNXKAO-UHFFFAOYSA-N 304.362 1.437 10 10 DDCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CC[C@H](C2OCCO2)C1 2089608006 BCMWWJVOHUDQAT-RYUDHWBXSA-N 305.378 1.291 10 10 DDCE Cc1nn[nH]c1CCNCc1c(O)cccc1Br 2219261600 GDMIXEGUYNITDH-UHFFFAOYSA-N 311.183 1.914 10 10 DDCE C[C@@H](NC=C1C(=O)NC(=S)N(C2CC2)C1=O)c1ccccc1 2296147325 YREKWSCGOZYAQQ-SNVBAGLBSA-N 315.398 1.627 10 10 DDCE CN(C)C(=O)[C@@H]1CCCN1C(=O)C=Cc1ccc(O)c(O)c1 2307987467 HOFOQCOLMYTUTB-LBPRGKRZSA-N 304.346 1.190 10 10 DDCE C[C@@H](O)c1ccc(N2CC([C@H](O)CO)C2)c(Br)c1 2315273185 WWIQBYWAVMFZQU-AMIZOPFISA-N 316.195 1.292 10 10 DDCE COc1ccc(O)c(CNc2nn(C)nc2Br)c1 2320066392 CQVVZDWDLWFMKB-UHFFFAOYSA-N 313.155 1.904 10 10 DDCE Cc1ccc(CN[C@H]2CCOC[C@H]2O)c(O)c1Br 2327629757 PRXFRIAHPOWCBJ-WDEREUQCSA-N 316.195 1.703 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCOC[C@H]2F)s1 2350652709 NIONNDOXTAPDCZ-LDYMZIIASA-N 306.384 1.536 10 10 DDCE Cc1ccc(C(=O)NC2CCN(C(=O)C(C)C)CC2)c(O)c1O 179418816 SASRNNPPFJCDEM-UHFFFAOYSA-N 320.389 1.783 10 10 DDCE Cc1cc(Cl)cc(CN2CCN(S(C)(=O)=O)CC2)c1O 179625631 KGDBFVSGEILQQH-UHFFFAOYSA-N 318.826 1.431 10 10 DDCE CS(=O)(=O)CCCOc1ccc(N2CCC[C@@H](N)C2)cc1 63017731 SMPMWDKPPYGTSX-CYBMUJFWSA-N 312.435 1.428 10 10 DDCE COc1cc(Cl)c(N2C[C@H](CO)[C@@H](CO)C2)c(OC)c1 2368115636 BXQDHOUAVCUQQB-NXEZZACHSA-N 301.770 1.394 10 10 DDCE CCn1c(C)nnc1CN1CCN(c2ccc(OC)cc2)CC1 195011809 XGQCABYIILPGFP-UHFFFAOYSA-N 315.421 1.937 10 10 DDCE CNCc1ccc(N(CCO)CCOC)cc1Br 234411219 DGFIFQPWTYYMJF-UHFFFAOYSA-N 317.227 1.614 10 10 DDCE N[C@@H](CCCO)c1ccc(I)cc1O 95770498 MJJBAQYSUPAAGW-VIFPVBQESA-N 307.131 1.769 10 10 DDCE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc(C)c(O)c1O 276114704 ALFTVZLJOVZJID-WZRBSPASSA-N 319.357 1.820 10 10 DDCE CCc1c(C(=O)OCC(=O)C(C)=O)cnn1-c1ccccn1 808503284 KIFCAGQFXBJISZ-UHFFFAOYSA-N 301.302 1.145 10 10 DDCE C[C@H](CN)NC(=O)NCc1cc(Br)ccc1O 841970868 HTQBRIDHEILCAN-SSDOTTSWSA-N 302.172 1.301 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)CN2CC[C@H](C)C2)cc1 848243847 RPEOAUTVDSDUBD-HNNXBMFYSA-N 319.449 1.932 10 10 DDCE C[C@@H]1OCC[C@@H]1S(=O)(=O)Nc1ccc(O)cc1C(=O)O 844783308 ZUZGDEFZEHXRKH-CPCISQLKSA-N 301.320 1.010 10 10 DDCE C[C@@H]1CNCC[C@@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 841833073 ZFIMEOSKOXXDIK-PBHICJAKSA-N 314.433 1.860 10 10 DDCE CN1CCN(c2ccc(CNCC[C@@H]3CNC(=O)C3)cc2)CC1 922783236 MRZIZFOGPDPFKM-INIZCTEOSA-N 316.449 1.054 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)COC(F)F)C2)cc1 855226848 TUTDCHDLNRNXBH-SNVBAGLBSA-N 300.305 1.629 10 10 DDCE O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC2(COC2)C1 853776661 UKFHGNJMODRTSH-UHFFFAOYSA-N 313.401 1.995 10 10 DDCE CN(C)c1ccc(CN2CCN(c3ncns3)CC2)cc1 852126610 DWLUBKGDTAAHMO-UHFFFAOYSA-N 303.435 1.926 10 10 DDCE COCc1ncc2c(n1)CCN(C(=O)c1cc(O)cs1)C2 869680964 DTKJQTQOPMUJPL-UHFFFAOYSA-N 305.359 1.589 10 10 DDCE CNC(=O)CN(C)Cc1c(C(=O)OC)n(C)c2ccc(F)cc12 895352050 NIORZIQDSHDQRS-UHFFFAOYSA-N 321.352 1.282 10 10 DDCE O=C(CCc1nnc(C(F)F)o1)NCc1ccc(O)c(O)c1 1137443276 JLFNGXMJPTYXQW-UHFFFAOYSA-N 313.260 1.667 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)c1ccc(O)c(O)c1 1895311195 HZHLCSRKQXAROK-GHMZBOCLSA-N 322.361 1.741 10 10 DDCE CS(=O)(=O)c1sccc1C(=O)NCc1ccccc1O 1964093067 PKLGWQMDVGSBKW-UHFFFAOYSA-N 311.384 1.787 10 10 DDCE CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCCN=[N+]=[N-] 1963809008 KALDAGVQXGVPTJ-MRVPVSSYSA-N 301.372 1.723 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCc1ccc2c(c1)CCO2 1447679821 KJDWIBBMCSABGG-UHFFFAOYSA-N 313.353 1.934 10 10 DDCE O=C(Cc1ccccc1[N+](=O)[O-])NCc1c(O)cccc1O 1456235429 JZLHBHPJWWWGHL-UHFFFAOYSA-N 302.286 1.865 10 10 DDCE CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1cccc(O)c1O 1455615841 SSBUBCXCFOITRN-CMPLNLGQSA-N 323.345 1.328 10 10 DDCE CN(C)Cc1cc([C@@H](CN)NC(=O)OC(C)(C)C)ccc1O 1536004132 VEVVFLGCKSAWRL-CYBMUJFWSA-N 309.410 1.978 10 10 DDCE CC(=O)N(C)C1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1542399268 XZSBYWBMLKQEOQ-UHFFFAOYSA-N 306.362 1.110 10 10 DDCE CC1CCN(C[C@@H]2OC[C@@H](NCc3ccccc3O)[C@@H]2O)CC1 1615260367 SCINRQQNPOZHBR-NJAFHUGGSA-N 320.433 1.342 10 10 DDCE CCOCCN1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1714954056 OEHJLQKKINGXMS-UHFFFAOYSA-N 319.365 1.300 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cnn(-c2ccncc2)c1 1557085641 RMRJMBYEXFZWAW-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE Cn1cc(-c2ncccc2C(=O)NCc2ccc(O)cc2O)cn1 1638355887 AQXMWBXNWLYSNC-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE COC(=O)c1cc(C(=O)NCc2cccc(Cl)c2O)no1 1647830424 VYQDZVOXEHEWPP-UHFFFAOYSA-N 310.693 1.750 10 10 DDCE COc1cc(Cl)cc(CNC[C@@]2(O)CCCOC2)c1O 1971059415 XWFDFYVPORHARN-AWEZNQCLSA-N 301.770 1.685 10 10 DDCE O=S1(=O)CCC[C@@H]2CN(c3ccc(CO)cc3Cl)C[C@H]21 2145044904 DHOMPRNHTAIFRY-BXUZGUMPSA-N 315.822 1.846 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)c1cc(CO)ccn1 2157769577 ROGACIXHTCRAOZ-UHFFFAOYSA-N 314.750 1.734 10 10 DDCE O=C(O)C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1O 2174351501 LSPDDOBTWMXPPG-CPCISQLKSA-N 320.172 1.966 10 10 DDCE CCS(=O)(=O)[C@H]1CCN(c2c(F)cc(CO)cc2F)C1 2179898119 DIXVPSJTAPFJHA-JTQLQIEISA-N 305.346 1.471 10 10 DDCE CCNCc1ccc(N2CC[C@@H](S(C)(=O)=O)C2)c(F)c1 2179908628 QGZHVYUUHVANSF-GFCCVEGCSA-N 300.399 1.559 10 10 DDCE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1c1cc(Cl)c(CN)cc1F 2177381884 SEAGLZBGHUBIII-RKDXNWHRSA-N 320.817 1.950 10 10 DDCE O=C(CN1CCCC[C@@H]1C1OCCO1)c1ccc(O)c(O)c1 2108839327 XMOKQYDUWYYGEI-GFCCVEGCSA-N 307.346 1.508 10 10 DDCE C[C@H]1O[C@H](C)C(=O)N(c2ccc(N)cc2Br)C1=O 2086186469 FJYILYMNWDLVDS-RNFRBKRXSA-N 313.151 1.698 10 10 DDCE O=S1(=O)C[C@@H]2CN(Cc3c(O)cccc3Cl)C[C@H]2C1 2087858334 LASQLRUMGBDQCI-UWVGGRQHSA-N 301.795 1.522 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@H]1C1OCCO1 2089608576 HITQOLGTSVQRAK-RISCZKNCSA-N 305.378 1.433 10 10 DDCE C[C@@H](N)c1ccc(N2CC(=O)N[C@H]3CC[C@@H]32)cc1Br 2112059443 YBMHDUFTIZFIBG-JCOFBHIZSA-N 324.222 1.936 10 10 DDCE NCc1ccc(N2[C@H]3CC[C@H]2CC(=O)NC3)cc1Br 2114134395 PNBSWDQYVUIFNW-RYUDHWBXSA-N 324.222 1.765 10 10 DDCE CS(=O)(=O)C1CCC(NCc2ccc(F)cc2O)CC1 2204746300 FFXDIFZNKOFDGN-UHFFFAOYSA-N 301.383 1.977 10 10 DDCE CSc1ncc(CNC(=O)[C@H](C(N)=S)C2CC2)s1 2257103447 LYRMQTDBQRPWGY-QMMMGPOBSA-N 301.462 1.794 10 10 DDCE COc1cc(OC)c(N2CCNC[C@@H]2C(=O)O)cc1Cl 2285872479 QJSHARCVQCYGGY-SNVBAGLBSA-N 300.742 1.220 10 10 DDCE COc1cc(OC)c(N2CCCC2(CO)CO)cc1Cl 2285918987 FIYBEAUIYQEORR-UHFFFAOYSA-N 301.770 1.681 10 10 DDCE CCC[C@@H]1SC[C@H](C(=O)O)N1C(=O)Cc1ccc(N)cc1 111416629 PUJPHDMFKLCVJT-OCCSQVGLSA-N 308.403 1.966 10 10 DDCE COc1ccc(O)c(CN2CCOC[C@@H]2c2nc(C)no2)c1 188467603 CMBXTDXAWCDNDG-CYBMUJFWSA-N 305.334 1.666 10 10 DDCE Cn1cnc2cc(C(=O)NCCc3ccc(O)c(O)c3)cnc21 183672847 BZAUUXGROZOOHF-UHFFFAOYSA-N 312.329 1.352 10 10 DDCE COCCOCCN(C)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-] 323397831 MLQMBRWVFIBMSX-XQRVVYSFSA-N 324.333 1.792 10 10 DDCE COC[C@@H](O)CN(C)c1ccc([C@H](C)N)c(Br)c1 234699189 JVHFEANOSVXSIZ-ONGXEEELSA-N 317.227 1.912 10 10 DDCE O=C(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc(O)c1O 283611092 LXWAPAKSQNXBSL-IAQYHMDHSA-N 321.373 1.395 10 10 DDCE CC(=O)C(=O)COC(=O)CCc1c(C)nc2cc(C)nn2c1C 808497578 UHXMTRFWJWNSEY-UHFFFAOYSA-N 317.345 1.288 10 10 DDCE OCC1(CO)CCN(Cc2cccc(Br)c2O)C1 827482624 YEIUENFBJLDBDF-UHFFFAOYSA-N 316.195 1.331 10 10 DDCE C[C@@H](CNC/C=C/c1ccc(N(C)C)cc1)N1CCN(C)CC1 835037698 LHXMNAWEQCHXBU-RTRPANQVSA-N 316.493 1.991 10 10 DDCE CCO[C@@H](C(=O)NCc1ccc(O)cc1O)C1CCOCC1 910956637 MKELKPVSYZPEPY-OAHLLOKOSA-N 309.362 1.546 10 10 DDCE C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1ccc(N(C)C)c(F)c1 843428593 KUSUZIHCDITVBL-CYBMUJFWSA-N 322.428 1.444 10 10 DDCE COC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCCOC1 924684183 CIKVRXQOOOQSQT-XVMAMZMSSA-N 321.373 1.669 10 10 DDCE O=C(NCCC1(O)CCOCC1)NCc1c(O)cccc1F 922423308 IAQNQLXERNEURX-UHFFFAOYSA-N 312.341 1.262 10 10 DDCE C[C@@]1(C(F)F)CN(C(=O)c2c(F)ccc(O)c2O)CCO1 857342518 SPORZYCRHNNWSF-ZDUSSCGKSA-N 305.252 1.733 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H](C)C[C@@H]3CCC(=O)N3)C2)cc1 926679405 DQGSKCHRWTUQML-KKUMJFAQSA-N 317.433 1.921 10 10 DDCE COC(CCN(C)Cc1ccc(N2CCOCC2)cc1)OC 851717331 XCFQLLQFWFTFTP-UHFFFAOYSA-N 308.422 1.964 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCO[C@@]2(CCOC2)C1 921763543 YKLNGCFMEIODAR-BZNIZROVSA-N 324.352 1.669 10 10 DDCE O=C1OC[C@]2(CN[C@@H]3CCc4cccc(O)c43)COCCN12 866521302 LLMLDDAUSYCDBM-WBMJQRKESA-N 304.346 1.190 10 10 DDCE CC(=O)OC(C)(C)C(=O)NCc1ccc2cccnc2c1O 862027479 UFYNVEYQWTYXFS-UHFFFAOYSA-N 302.330 1.898 10 10 DDCE CC(=O)Nc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 778919381 BWUQFFASINNCIR-UHFFFAOYSA-N 300.314 1.986 10 10 DDCE CS(=O)(=O)C1CC(CNCc2ccc(Cl)cc2O)C1 1877123124 HTZSCJIKNABKOV-UHFFFAOYSA-N 303.811 1.958 10 10 DDCE COc1cc(Br)cc(CN2C[C@H]3C[C@@]3(O)C2)c1O 895647378 KWMRLWQLQSPUTR-NOZJJQNGSA-N 314.179 1.730 10 10 DDCE CN1CC[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)C1 895818411 PMECPBAFYUIGOR-SECBINFHSA-N 306.387 1.994 10 10 DDCE CO[C@@]1(C)CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 795191470 YAGDJRRWNXYYPD-HNNXBMFYSA-N 321.333 1.931 10 10 DDCE CCC(CC)(NC(=O)c1ccc(C)c(O)c1O)c1nn[nH]n1 1156920095 GVLHLWYULAUMLP-UHFFFAOYSA-N 305.338 1.365 10 10 DDCE CN1CCN(c2ccc(CN3CC[C@@]34CCOC4)cc2F)CC1 1328791600 ISGVSCRNWWSJRZ-SFHVURJKSA-N 319.424 1.942 10 10 DDCE Oc1c(F)cc(Br)cc1CN1C[C@@H]2CNC[C@H]2C1 715765269 FCNFCSBFNARNHK-UWVGGRQHSA-N 315.186 1.945 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CO[C@@H]3CCOC3)C2)cc1 1334470902 KUNWSKAHRUDSFS-XJKSGUPXSA-N 320.389 1.196 10 10 DDCE COC1(OC)CC(CNC(=O)NCc2c(O)cccc2F)C1 1348067556 FTXAAMJANNUPDE-UHFFFAOYSA-N 312.341 1.730 10 10 DDCE CCOC(=O)[C@H]1CSCCN1C(=O)c1cccc(O)c1O 1463525433 MPPVIYRTCWQTSK-SNVBAGLBSA-N 311.359 1.219 10 10 DDCE C[C@@H]1COCCN1CCNC(=O)c1ccc(N=NC(N)=O)cc1 1464955503 XNYKOPGUEBATGW-LLVKDONJSA-N 319.365 1.300 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 1465732622 QNERPPVOMQGLIQ-NSHDSACASA-N 315.333 1.342 10 10 DDCE Cc1nc(C(C)C)nc(O)c1C(=O)NCc1c(O)cccc1O 1472064034 RXWGVAXOTOZFJY-UHFFFAOYSA-N 317.345 1.955 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@H]1CNC(=O)c2ccccc21 1622317324 GZASGUDVIYEKIV-HNNXBMFYSA-N 310.353 1.878 10 10 DDCE COc1ccc(CNCCCN(C)C(=O)c2cc[nH]n2)cc1C 1569184234 VMUROTYPLCGOSV-UHFFFAOYSA-N 316.405 1.979 10 10 DDCE CCn1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C(N)=O)n1 1648338353 ZAGGCHZVWYXAFN-XQRVVYSFSA-N 316.317 1.065 10 10 DDCE C[C@H]1OCC[C@H]1N(C)S(=O)(=O)CCOc1ccc(N)cc1 157950412 CRUFKJHTTZXGQO-BXUZGUMPSA-N 314.407 1.087 10 10 DDCE CCOC(=O)CCN(CC(=O)OCC)Cc1ccccc1O 1203555569 DOOYDZBDXXLOHK-UHFFFAOYSA-N 309.362 1.711 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NCc1ccc(O)c(O)c1 1937554099 FMDJMCKRQNQXJQ-RYUDHWBXSA-N 324.377 1.480 10 10 DDCE N[C@@]1(c2cc(I)ccc2O)C[C@@H]1C(=O)O 1952775213 NWWVSFWNIRCCBA-GMSGAONNSA-N 319.098 1.255 10 10 DDCE CC(C)(C)OC(=O)NCC1CN(C[C@H](N)c2ccccc2O)C1 1980570321 PEDHMYMIDWLRJR-AWEZNQCLSA-N 321.421 1.849 10 10 DDCE CN(Cc1ccccc1O)[C@H](CNC(=O)OC(C)(C)C)C(=O)O 1992729481 NVCUBNURNMHYFY-GFCCVEGCSA-N 324.377 1.802 10 10 DDCE CN(c1ccc(CN)c(F)c1F)[C@H]1CS(=O)(=O)C1(C)C 2153845320 LCQCWAIWQZZUCY-JTQLQIEISA-N 304.362 1.435 10 10 DDCE CCNCc1ccc(OCCS(=O)(=O)N(C)C)c(C)c1 2155014148 SHEFBMAQPALBOM-UHFFFAOYSA-N 300.424 1.375 10 10 DDCE Nc1ccc(CCN2CC(CS(=O)(=O)C(F)F)C2)cc1 2173183608 QDPWNURYEGESLM-UHFFFAOYSA-N 304.362 1.381 10 10 DDCE C[C@H](N)c1cc(F)c(N2CCS(=O)(=O)C[C@H]2C)c(F)c1 2194715770 UZOLHLQKNAYVFM-BDAKNGLRSA-N 304.362 1.608 10 10 DDCE CO[C@@H]1C[C@@H](O)CN(c2ccc(CO)c(Br)c2)C1 2046670608 AQOCXEBWXVKLPZ-VXGBXAGGSA-N 316.195 1.527 10 10 DDCE CCNC(=O)C1CN(c2ccc(CO)cc2Br)C1 2049061671 LYFUFXQIIOZESL-UHFFFAOYSA-N 313.195 1.514 10 10 DDCE Oc1cc(Br)ccc1CNC1CN(C2COC2)C1 2051500120 XORPGVVSKZNKKG-UHFFFAOYSA-N 313.195 1.327 10 10 DDCE NCc1ccc(N2C[C@@H]3[C@H](CO)C[C@H]3C2)c(Br)c1 2053978723 BTHSTSSGAGADFJ-SRVKXCTJSA-N 311.223 1.972 10 10 DDCE Cn1nnc(Br)c1C(=O)NCC1(CN=[N+]=[N-])CC1 2054029803 JXHYXXJQVNDNSN-UHFFFAOYSA-N 314.147 1.398 10 10 DDCE CCn1nnnc1CNCc1cc(Cl)cc(Cl)c1O 2113071303 JTJNSNCHZIKFTM-UHFFFAOYSA-N 302.165 1.995 10 10 DDCE NCc1ccc(N2CC[C@H](O)[C@H](O)CC2)cc1Br 2256985160 CJNUHPIZZFIRNY-BETUJISGSA-N 315.211 1.230 10 10 DDCE CNC[C@H]1CN(c2cc(Cl)c(OC)cc2OC)CCO1 2285855622 IRAANEFVVVVPOV-JTQLQIEISA-N 300.786 1.782 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@H](N2CCOCC2)C1 2308001722 JSNSLHQMUZJOKM-AWEZNQCLSA-N 318.373 1.044 10 10 DDCE C[C@@H]1COC[C@@H](C)N1CC(=O)N(C)Cc1ccc(N(C)C)cc1 172552922 GEPWNEZGVAHHLI-HUUCEWRRSA-N 319.449 1.820 10 10 DDCE CCOc1ccnc(N2CCN(Cc3ccccc3O)CC2)n1 179572182 CEXNLMVAEMGLEU-UHFFFAOYSA-N 314.389 1.903 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCC[C@H]2CCCO2)cc1 70490737 GYZHAJPLMSFCGW-CYBMUJFWSA-N 314.407 1.136 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCC[C@](O)(CO)C2)c1O 313693625 JSUOXQISXBRRGU-OAHLLOKOSA-N 313.781 1.567 10 10 DDCE O=C1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)C(=O)N1 89755079 SYTNSUCCCHMKDV-VIFPVBQESA-N 303.145 1.594 10 10 DDCE COc1cc(Cl)c(N2CCO[C@@H]([C@H](C)O)C2)c(OC)c1 2368268191 ICCDWARKYIJGLE-TVQRCGJNSA-N 301.770 1.943 10 10 DDCE Cc1cccnc1N/C=C1\C(=O)NC(=S)N(CC(C)C)C1=O 255672780 IUVRWEGZNPEKQF-YRNVUSSQSA-N 318.402 1.585 10 10 DDCE CCCCOc1ccccc1NC[C@@H](O)CN1CCN(C)CC1 819419734 IBYKTYFTXKOVBO-MRXNPFEDSA-N 321.465 1.886 10 10 DDCE CN(C)C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 814872383 VNLIWLYAEQOXHW-JTQLQIEISA-N 320.349 1.314 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@H](O)c2cnn(C)c2)cc1 835042479 IVQACJJPYKROPX-BDUNBXCCSA-N 300.406 1.823 10 10 DDCE Nc1ccc(CC(=O)N2CCc3cc(Cl)nnc3C2)cc1 843504960 QPYNBCHITLJLGK-UHFFFAOYSA-N 302.765 1.840 10 10 DDCE COc1ccc(N2CC[C@H](N3C(=O)[C@@H](C)NC3=S)C2)cc1 849170742 ONESTCOFLDUUPS-PWSUYJOCSA-N 305.403 1.379 10 10 DDCE CN1CCN(c2ccc(CNC[C@@H](O)[C@@H]3CCCO3)cc2)CC1 858226971 RTBLXZAKAIUQKH-MSOLQXFVSA-N 319.449 1.068 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H]4COC[C@@H]4C3)cc2N1 853933835 KJDMLNHUNTWAAB-UWVGGRQHSA-N 319.317 1.398 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CC(C)(OC)C3)C2)cc1 854299802 RRSYMOKZOPMABH-CYBMUJFWSA-N 319.405 1.704 10 10 DDCE CC[C@H](CO)N(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854296818 GSBHPQBUYSUVJW-UONOGXRCSA-N 321.421 1.686 10 10 DDCE COC(=O)C12CC(CN1Cc1ccc(N3CCOCC3)cc1)C2 930966748 CNUMUSJGJHHHLS-UHFFFAOYSA-N 316.401 1.661 10 10 DDCE CC[C@](C)(O)CN1CCN(c2ccc(OC)cc2OC)CC1 879461953 IJUFELKNEBMDSI-KRWDZBQOSA-N 308.422 1.987 10 10 DDCE COc1cc([N+](=O)[O-])c(Br)c([C@@H](N)CO)c1O 72199804 KIVDLIGSINDLAB-BYPYZUCNSA-N 307.100 1.064 10 10 DDCE CC(C)C(=O)N1CCCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1136599642 PCGXJFMSYLADMB-UHFFFAOYSA-N 320.389 1.357 10 10 DDCE CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1882297519 CIACXOAQBQDNTB-MRVPVSSYSA-N 303.388 1.669 10 10 DDCE C[C@@H](NC(=O)c1ccccc1OCC(N)=O)c1ccccc1O 1151885846 JYJBTEHTUPMXFQ-LLVKDONJSA-N 314.341 1.747 10 10 DDCE Nc1ccc(Cn2c(=O)c(-c3ccccc3)nn3cnnc23)cc1 82719389 QIPYXVBUSPBTRZ-UHFFFAOYSA-N 318.340 1.584 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCN1C1CCCC1 1586783673 GCBVVQDVUPNMOD-AWEZNQCLSA-N 304.390 1.773 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC2SCCS2)cc1 692350680 BOXRMLMGJBDPIU-UHFFFAOYSA-N 304.462 1.494 10 10 DDCE C[C@H](NC(=O)C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1)c1ccc(N(C)C)cc1 1328096578 GQMBXAXTYOVRGS-MHEUCROKSA-N 315.417 1.845 10 10 DDCE CN(C)C[C@H](O)CN(C)c1ccc(CO)cc1Br 690305405 YARZIHFEXZOUKJ-NSHDSACASA-N 317.227 1.300 10 10 DDCE CCOc1cc(CNCCN(C)C)ccc1N1CCOCC1 211993490 SOGRUKDRSFEIKM-UHFFFAOYSA-N 307.438 1.573 10 10 DDCE COC(=O)[C@@H]1CN(C(=O)/C=C\c2cn(C)cn2)c2ccccc21 1531448315 GIJGZYFEAVXJBG-WBTMPAOCSA-N 311.341 1.737 10 10 DDCE O=C1COc2cccc(C(=O)NCc3cccc(O)c3O)c2N1 1558161335 LWDJRTKJBPBJIP-UHFFFAOYSA-N 314.297 1.359 10 10 DDCE CCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1486625358 IAKOXGKTMSPWBB-UWVGGRQHSA-N 319.365 1.882 10 10 DDCE Cc1nn(C)c2ncc(C(=O)NCc3ccc(O)cc3O)cc12 1630301445 AGBCZKUCWRYPLX-UHFFFAOYSA-N 312.329 1.618 10 10 DDCE COC(=O)Cc1sccc1C(=O)NCc1cc(O)ccc1O 1643881752 DCSKADZGTZMFTC-UHFFFAOYSA-N 321.354 1.805 10 10 DDCE CNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2O)co1 1643738907 WWIBQNXZWALYFF-SECBINFHSA-N 324.358 1.384 10 10 DDCE CN(CCNCCCF)C(=O)c1ccc(N=NC(N)=O)cc1 1664403381 WVRWNYGDNDPWOZ-UHFFFAOYSA-N 309.345 1.870 10 10 DDCE CNCc1ccc(N(C)C[C@@H](O)COC)cc1C(F)(F)F 167372173 MDMFCMBORZQRKX-GFCCVEGCSA-N 306.328 1.868 10 10 DDCE Nc1ccc(CN2CCC[C@@H](NC(=O)[C@H]3CCCO3)C2)cc1 586066843 SJYLFVKMHFIQIO-HZPDHXFCSA-N 303.406 1.528 10 10 DDCE COc1ccc(N2CCN(c3cc(C)nc(CO)n3)CC2)cc1 1258090209 GGIYMMZUUFMGTA-UHFFFAOYSA-N 314.389 1.613 10 10 DDCE Oc1ccc(I)cc1[C@H]1C[C@@H](O)CCN1 1952072264 RIYUHJNAHGJPMV-WCBMZHEXSA-N 319.142 1.782 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@H](NS(C)(=O)=O)C2)cc1Cl 703136219 DFRIWJHBFDLEAS-ZJUUUORDSA-N 317.842 1.488 10 10 DDCE CC(C)N(CCS(C)(=O)=O)c1ccc([C@@H](C)N)c(O)c1 2170176018 QCSRVJFOHDUCLW-LLVKDONJSA-N 300.424 1.671 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)N1CCC[C@@H]1CO 2105591673 UTNKITRWDVZVSD-SECBINFHSA-N 306.771 1.159 10 10 DDCE CN(CCN(C)S(C)(=O)=O)c1ccc(CO)cc1Cl 2090794588 HMMMSUIPQDCULT-UHFFFAOYSA-N 306.815 1.160 10 10 DDCE Nc1ccc(CCN2CC(S(=O)(=O)C(F)(F)F)C2)cc1 2237656857 BYCWDBLVRSUGFN-UHFFFAOYSA-N 308.325 1.430 10 10 DDCE C[C@@H]1CC[C@H](S(C)(=O)=O)CN1c1ccc(CN)cc1F 2279346844 VWYDSXPGULCYQB-PWSUYJOCSA-N 300.399 1.686 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@H](CC(=O)O)C2)s1 2284543449 FQTWMOKNPPINOB-MRVPVSSYSA-N 315.420 1.871 10 10 DDCE CCO[C@H]1CS(=O)(=O)C[C@H]1NCc1cnc(SC)s1 2269090072 JIZNVOWLUBWGEM-ZJUUUORDSA-N 322.477 1.157 10 10 DDCE CC[C@@H]1NC(=O)[C@@H](CC)N(Cc2cnc(SC)s2)C1=O 2284668999 ZANYFZKXIXPZCH-VHSXEESVSA-N 313.448 1.881 10 10 DDCE CN(C)c1ccc(CNS(=O)(=O)CC(C)(C)CO)cc1 2290029148 DWUGHEJGURXCHK-UHFFFAOYSA-N 300.424 1.191 10 10 DDCE N[C@H]1CC[C@H]1S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 2316347979 JJRMIIVGGZYWNN-DTWKUNHWSA-N 311.190 1.930 10 10 DDCE COc1ccc(O)c([C@H](C)NC[C@H](C)CS(C)(=O)=O)c1 182436257 KVXYIIXSFMPYSF-QWRGUYRKSA-N 301.408 1.732 10 10 DDCE CN1CCc2cc(CNC(C)(C)CCS(C)(=O)=O)ccc21 124011317 SDVBTTSHJBCHSX-UHFFFAOYSA-N 310.463 1.982 10 10 DDCE NC(=O)c1cncc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 426610169 CHEDEMIFDLHJEQ-UHFFFAOYSA-N 320.356 1.746 10 10 DDCE COC(=O)[C@@H](N)c1ccc(I)cc1O 95782893 UJOXDBSDDWVRFP-QMMMGPOBSA-N 307.087 1.170 10 10 DDCE CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1ccccc1O 264507811 YYTJNYJAQPFVAI-YPMHNXCESA-N 322.430 1.956 10 10 DDCE CN(CC(=O)NCc1ccc(N(C)C)cc1)C[C@@H]1CCCCO1 266704724 HXKUYQQOTQOIGP-KRWDZBQOSA-N 319.449 1.870 10 10 DDCE O=C1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]2CCCC[C@@H]2N1 588404819 IOVBTQVBTPJXFZ-SVSNBYFCSA-N 316.357 1.381 10 10 DDCE CN(CC(=O)NC(C)(C)C)C(=O)/C=C\c1ccc(O)c(O)c1 588403260 BOSROBSWKXBMHG-VURMDHGXSA-N 306.362 1.484 10 10 DDCE CO[C@]1(CN[C@@H](C)c2ccc(C)cc2O)CCS(=O)(=O)C1 903365334 MBZNETWKVATEQB-WFASDCNBSA-N 313.419 1.555 10 10 DDCE CC[C@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(N(C)C)cc1 927028343 IMXFRHCBLLONJD-GJZGRUSLSA-N 314.451 1.199 10 10 DDCE O=C(N[C@H]1CCCN2CCSC[C@H]12)c1cccc(O)c1O 928093836 ZBXZVDICYOFPDR-NWDGAFQWSA-N 308.403 1.407 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cc3cc(C)[nH]n3)C2)cc1 855233819 NHPYCAOEHSHEMK-ZDUSSCGKSA-N 314.389 1.664 10 10 DDCE COc1ccc(O)c([C@@H](C)NC[C@@]2(OCCO)CCOC2)c1 850510123 VFCKITIKMQOCRX-WBMJQRKESA-N 311.378 1.219 10 10 DDCE CN(C)c1ccc(CNCc2cn(C[C@@H]3CCOC3)nn2)cc1 865404837 UCOFXGMAKLVDRH-HNNXBMFYSA-N 315.421 1.670 10 10 DDCE O=C1OCC[C@H]2CN(Cc3cc4c(cc3O)OCO4)CCN12 763314880 OYCZYGNPOHZZFX-NSHDSACASA-N 306.318 1.147 10 10 DDCE Cc1nc(SCCC(=O)N2Cc3cccc(O)c3C2)n[nH]1 871202675 LEZPTLPQOMYRNW-UHFFFAOYSA-N 304.375 1.843 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@H](CCC(N)=O)C(=O)O)cc1 1119549504 KSJJORDOIZSNNV-VQTKUKTRSA-N 305.378 1.074 10 10 DDCE Cc1cccc(O)c1CNCCn1ncc(Br)n1 1876001865 LIACPJBMMJTPFX-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE CCN1C(=O)[C@@H]2CN(Cc3c(C)cccc3O)CCN2C1=O 876802408 DSFIWXAOFBQWSV-ZDUSSCGKSA-N 303.362 1.169 10 10 DDCE NC(=O)[C@@H]1CC[C@H](C(=O)Nc2c(Cl)ccc3nonc23)C1 1128603868 ONAXRJZICRWKGG-RQJHMYQMSA-N 308.725 1.716 10 10 DDCE O=C1NC[C@@H](C(=O)NCc2c(O)cccc2F)c2ccccc21 1303875270 DIPZVQIHCDYHNP-GFCCVEGCSA-N 314.316 1.675 10 10 DDCE CC(C)(C)OC(=O)NC[C@@]12CN(CCN=[N+]=[N-])C[C@H]1CCO2 1962461181 WWHRGQULJRRXOA-BXUZGUMPSA-N 311.386 1.912 10 10 DDCE CNCc1cc(F)c(N2CCS(=O)(=O)[C@H](C)C2)c(F)c1 707150378 FNNKLNCXVCMHJJ-SECBINFHSA-N 304.362 1.308 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CC[C@H](CF)C2)cc1 711502304 BBBMMPIEHWEOSQ-LLVKDONJSA-N 302.371 1.269 10 10 DDCE COc1ccc(CNC2(CNC(=O)CCN(C)C)CC2)cc1C 1269484494 MIMPPFQBDAAIBE-UHFFFAOYSA-N 319.449 1.694 10 10 DDCE CN1CCN(c2ccc(CNC[C@H]3CCC[C@@H]3O)cc2F)CC1 1261277512 AUDYUGCWAMKRBW-QAPCUYQASA-N 321.440 1.828 10 10 DDCE CN1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@H]1C(C)(C)C 1469617441 GVSNKORWUIEMJZ-HNNXBMFYSA-N 306.406 1.829 10 10 DDCE O=C(NCc1cccc(Cl)c1O)c1cccnc1OCCO 1606869626 WIWJFAVXACANRG-UHFFFAOYSA-N 322.748 1.742 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@H](O)CCc1ccccc1 1558174898 BNWXNTRTSGATQD-MRXNPFEDSA-N 301.342 1.708 10 10 DDCE COc1ccc(CNC/C=C/CNC(=O)[C@H](O)C(C)C)cc1C 1497576531 SANRQWRRVWSYCW-FUTAKVPZSA-N 320.433 1.783 10 10 DDCE [N-]=[N+]=NC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 1912170710 AQVPRDZLKHMVTJ-UHFFFAOYSA-N 317.714 1.931 10 10 DDCE CN(CCN=[N+]=[N-])C(=O)CN(C)S(=O)(=O)c1cccs1 1912148874 YWZLTQHWVTYQOU-UHFFFAOYSA-N 317.396 1.137 10 10 DDCE C[C@](O)(CCO)CNCc1c(O)cccc1Br 1966086042 VIEZYEAAURKXNH-LBPRGKRZSA-N 304.184 1.378 10 10 DDCE O=C(O)[C@@H]1CCCN1C(=O)CNCc1cc(Cl)ccc1O 1857868469 KWIPWGPZQMMMCY-NSHDSACASA-N 312.753 1.211 10 10 DDCE CCOc1ccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)cc1 1857878722 KAUHCDMTTTYXAC-UHFFFAOYSA-N 324.344 1.896 10 10 DDCE CCN(CC)c1ccc(CNCCC(=O)N2CCNCC2)cc1 1857863070 GWPORAFSPJLVEO-UHFFFAOYSA-N 318.465 1.444 10 10 DDCE Cc1ccc([C@H](C)N[C@@H](C)CS(=O)(=O)N(C)C)c(O)c1 1967465461 MEVHJXYWQBUGHV-RYUDHWBXSA-N 300.424 1.631 10 10 DDCE CC(C)(C)OC(=O)NC1(CNCc2cccc(O)c2O)COC1 1938384043 KLUGSIVBTMEPDT-UHFFFAOYSA-N 324.377 1.481 10 10 DDCE CN1C(=O)C[C@@H](NCc2cc(Br)ccc2O)C1=O 234314536 CBXMPEFZNRFVAM-SECBINFHSA-N 313.151 1.002 10 10 DDCE Cc1[nH][nH]c(=NC(=O)OC(C)(C)C)c1C(=O)N(C)CCN=[N+]=[N-] 1985102497 HWHFXMLNRNNDRU-UHFFFAOYSA-N 323.357 1.869 10 10 DDCE O=C(O)CCS(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2152894359 YLVNDWYCUOZGEL-UHFFFAOYSA-N 313.253 1.627 10 10 DDCE NCc1cc(F)c(N2CCCNC(=O)C2)cc1Br 310621282 HIDFMNOSZRFCEF-UHFFFAOYSA-N 316.174 1.373 10 10 DDCE CCN(c1c(F)cc(CO)cc1F)[C@@H](C)CS(C)(=O)=O 2170418869 FQXXAAWKOYYTHZ-VIFPVBQESA-N 307.362 1.717 10 10 DDCE CCNCc1cc(F)c(N2CCS[C@H](CO)C2)c(F)c1 720002101 IDNNXJUINMYPEY-NSHDSACASA-N 302.390 1.988 10 10 DDCE CC(C)(C)C[C@@H](CO)NS(=O)(=O)Cc1ccc(N)cc1 393577387 XIOHXNSNYQYQCM-ZDUSSCGKSA-N 300.424 1.485 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC(C)(C)OC(C)(C)C3)c2n1 2062283434 VKJVWHHQSJXEPC-UHFFFAOYSA-N 318.377 1.773 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)c2n1 2063691583 YJOOBMULRPPTLK-UHTWSYAYSA-N 316.361 1.431 10 10 DDCE 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319.405 1.336 10 10 DDCE CC(C)CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 588403825 SWQSTNSSGLAHCV-XQRVVYSFSA-N 304.390 1.911 10 10 DDCE CC[C@H](O)[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 912293506 YRVOUVSNIKKXOM-IOASZLSFSA-N 306.406 1.797 10 10 DDCE Cc1ccc(C(=O)N2C[C@]3(C)CN(C)C[C@]3(C)C2)c(O)c1O 913283523 JCOYPBIUMCFVMS-CALCHBBNSA-N 304.390 1.820 10 10 DDCE CN1CCN(c2ccc(CNCC[C@@H]3CCNC3)cc2)CC1 841035731 HSXGUQVDVIWDGW-QGZVFWFLSA-N 302.466 1.528 10 10 DDCE COc1ccccc1NC(=O)COC(=O)c1cccc(O)c1O 758571075 CDEJBHHFRBSQGD-UHFFFAOYSA-N 317.297 1.902 10 10 DDCE Nc1ccc(NC(=O)NC[C@@H]2CC3(CCOCC3)CO2)cc1 868162172 FKSLFXCPDWKQLM-AWEZNQCLSA-N 305.378 1.976 10 10 DDCE O=C(Cc1cnn2c1CCCC2)NCCc1ccc(O)c(O)c1 866757258 NXKYUEMOXTXYGA-UHFFFAOYSA-N 315.373 1.532 10 10 DDCE C[C@@H](NC(=O)c1ccc2c(c1)COB2O)c1ccc(N(C)C)cc1 863879686 XZTPVQACGPXRLP-GFCCVEGCSA-N 324.189 1.461 10 10 DDCE CCOC(=O)[C@@H](CC1CC1)NC(=O)c1ccc(C)c(O)c1O 780964430 UPWSKGOSYMKTSQ-GFCCVEGCSA-N 307.346 1.868 10 10 DDCE 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QINPOICJLPXAHV-ZDUSSCGKSA-N 322.405 1.472 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@]3(C)CNC[C@]3(C)C2)cc1 861549736 PDELGDYQAHAHQQ-HDICACEKSA-N 316.449 1.894 10 10 DDCE O=C(c1cc(O)cs1)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O 863049565 JROFPTCTTRYASS-ZJUUUORDSA-N 301.389 1.245 10 10 DDCE COC(=O)c1c(CN[C@@H]2CCOC2)c2cc(F)ccc2n1C 894353587 CJXQJWICEDVKOG-LLVKDONJSA-N 306.337 1.983 10 10 DDCE C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)c3cccc(O)c3O)O2)CO1 899479985 PZEPZSSIMXHDAY-UVWXRNBGSA-N 307.346 1.554 10 10 DDCE CC(C)(C)[C@H](O)C[C@H](CO)NCc1cc2c(cc1O)OCO2 790619169 NHLKNTLDLLVGIP-IAQYHMDHSA-N 311.378 1.369 10 10 DDCE CN(Cc1ccc(N2CCCCC2)cc1)[C@H]1CCC(=O)NC1=O 799106452 HOWSJVJGEMDUGM-INIZCTEOSA-N 315.417 1.914 10 10 DDCE Oc1ccc2c(c1)O[C@@H]1c3cc(O)c(O)cc3CO[C@@H]1[C@@H]2O 86039255 OPWUVOPHCMWWGJ-BZUAXINKSA-N 302.282 1.869 10 10 DDCE biogenic,in-vitro CCN(C)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1 239555 BVGCBGRBYPXUGY-AWEZNQCLSA-N 303.362 1.944 10 10 DDCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1ccsc1Br 707026898 HXMXCLXPZKIUOK-LURJTMIESA-N 304.173 1.937 10 10 DDCE CCN[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1265382441 OAEUHHFSIFPPFC-CYBMUJFWSA-N 303.366 1.967 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)Cc1ccccc1F 1471899229 VKUSBAKCBKKONM-CYBMUJFWSA-N 319.332 1.499 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](c2cnccn2)C1 1558525321 RGXOHPTXKGEWTD-CXLRFSCWSA-N 311.341 1.917 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@H]1CC(c2cccnc2)=NO1 1633598864 FBXIYXNLMBCPBP-HNNXBMFYSA-N 313.313 1.302 10 10 DDCE CN(CC1CC1)C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1630637387 ZUXWAGQUNLYTLD-OAHLLOKOSA-N 318.417 1.831 10 10 DDCE O=C(CNC(=O)OCC(F)(F)F)NCc1cccc(O)c1O 1651172698 BNPZTMFNEJKLDC-UHFFFAOYSA-N 322.239 1.003 10 10 DDCE CC(C)O[C@@H]1CS(=O)(=O)C[C@H]1N1CC[C@H](CN=[N+]=[N-])C1 1912203211 OXYVMNHNUKPGBI-IJLUTSLNSA-N 302.400 1.209 10 10 DDCE CCN(c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])[C@@H](C)CO 1772947858 MLKVRNSQFKXNRO-IOCXFXADSA-N 308.334 1.988 10 10 DDCE COc1ccc(NC(=O)C(=O)NCCc2ccc(N)cc2)cc1 152538458 UBLRZEVSZOVSLK-UHFFFAOYSA-N 313.357 1.575 10 10 DDCE CCN(C(=O)c1nnn(-c2ccc(N)cc2)n1)c1ccccc1 1857878771 LUMWZEBWKNTIEA-UHFFFAOYSA-N 308.345 1.911 10 10 DDCE C[C@H](N)C(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1952196800 HPPYNRGKOOXUOP-GXSJLCMTSA-N 324.377 1.450 10 10 DDCE COc1cc(Br)cc([C@@](C)(N)CC(=O)O)c1O 1952337749 LRWSKRMZSHUNLO-NSHDSACASA-N 304.140 1.812 10 10 DDCE CC(C)(C)OC(=O)N[C@](C)(CC(=O)O)c1cc(O)nc(O)c1 1952464060 UKPRTCRCGOYTRZ-CQSZACIVSA-N 312.322 1.707 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](N)C[C@@H]1c1cc(O)nc(O)c1 1952675737 CFOUISAVIUHVPO-WDEREUQCSA-N 309.366 1.892 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1 1985980283 FYOHWBMBZOSHGR-FDYHWXHSSA-N 324.421 1.945 10 10 DDCE O=S(=O)(CCCO)Nc1cc(Cl)c(O)c(Cl)c1 1995697816 HOGLYHHEBXHZTC-UHFFFAOYSA-N 300.163 1.823 10 10 DDCE C[C@H](N)c1ccc(N2CC(F)(CO)C2)cc1Br 2005097917 LHQOHZHUBNZTIJ-QMMMGPOBSA-N 303.175 1.989 10 10 DDCE C[C@@H](NCc1cccc(F)c1O)C1CCS(=O)(=O)CC1 2146110623 QCHWGRNOXXMKHW-SNVBAGLBSA-N 301.383 1.834 10 10 DDCE N[C@@H]1C[C@@H](O)CN(Cc2c(O)cccc2Br)C1 2002696368 NYELSSCLPIWUKM-RKDXNWHRSA-N 301.184 1.049 10 10 DDCE Cn1ccc(C2(CN)CCN(C(=O)OC(C)(C)C)CC2)cc1=O 400173319 CEUZTDMKPABEOT-UHFFFAOYSA-N 321.421 1.613 10 10 DDCE NCc1cc(F)c(N2CCNC(=O)CC2)cc1Br 310632770 LXELSBPWQYPTBB-UHFFFAOYSA-N 316.174 1.373 10 10 DDCE O=C(O)c1cc(S(=O)(=O)Nc2ccc(O)cc2Cl)c[nH]1 693912359 FGPLZOVVAOQKTI-UHFFFAOYSA-N 316.722 1.873 10 10 DDCE CS(=O)(=O)c1sccc1C(=O)NCC1(CN=[N+]=[N-])CC1 2174353281 YNPRMOWXNZDTTM-UHFFFAOYSA-N 314.392 1.972 10 10 DDCE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)[C@H](C)c1c(O)cccc1O 2170637657 YEANAHSIELPKGI-AXFHLTTASA-N 301.408 1.912 10 10 DDCE CO[C@@H]1C[C@@H](NCc2cccc(Br)c2O)C[C@H]1O 2067189183 PJEBENCJKNEDSR-MVWJERBFSA-N 316.195 1.783 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@]23CCC[C@H]2CSC3)cc1 2201967132 PMYURELUGBLSJF-GXTWGEPZSA-N 312.460 1.974 10 10 DDCE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cc(O)nc(O)c2)C1 2095715174 KNGYNOUNEQLHBN-KOLCDFICSA-N 308.334 1.106 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H]3C[C@@]3(C(=O)O)C2)s1 2284503988 ILXZWWXEBOQHFR-JVXZTZIISA-N 313.404 1.481 10 10 DDCE COC(=O)[C@@H]1CC[C@@H](CNCc2cnc(SC)s2)O1 2269123146 GGPZMOKZXVHKQP-WPRPVWTQSA-N 302.421 1.675 10 10 DDCE CN1CCSC1=CC=C1SC(=S)N(CC(=O)O)C1=O 2293026445 AMSAICQWZZDCEM-UHFFFAOYSA-N 316.429 1.335 10 10 DDCE COC[C@H](O)CCNCc1ccc(C)c(Br)c1O 2327624626 SYWXWKXHTQNXJR-LLVKDONJSA-N 318.211 1.950 10 10 DDCE Cc1nc(S(=O)(=O)NCCCCN=[N+]=[N-])c(Cl)n1C 2338792133 DZMVSZUFNTVKLX-UHFFFAOYSA-N 306.779 1.751 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2CCCC[C@@H]2O)cc1F 103311650 RXXDOVMHKFOZMK-HIFRSBDPSA-N 309.385 1.994 10 10 DDCE CCn1c(S[C@H](C)C(=O)Nc2ccc(N)cc2)n[nH]c1=O 59952816 XLWJDNXBKBTTGR-MRVPVSSYSA-N 307.379 1.293 10 10 DDCE C[C@H](c1ccccc1O)N1CCS(=O)(=O)C[C@@H]1CC(=O)O 126384936 MIYZKUGCZVYDAW-MNOVXSKESA-N 313.375 1.027 10 10 DDCE CCN(CC)c1ccc(CNC(=O)C(C)(CO)CO)cc1F 130198575 YOXDXEUNPQHMPR-UHFFFAOYSA-N 312.385 1.279 10 10 DDCE Cc1cc(O)ccc1NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1 81678786 MTMYFKJJYXNWEM-UHFFFAOYSA-N 314.750 1.843 10 10 DDCE CCN(CCOCCO)c1ccc(CN)c(Br)c1 385462033 XTQFTXGARRXFKJ-UHFFFAOYSA-N 317.227 1.743 10 10 DDCE O=C(c1cccc(O)c1O)N1CCC[C@H]1c1ccc(O)nn1 530077920 FCIVAZYNSIGZRJ-NSHDSACASA-N 301.302 1.571 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(-c2ccccc2F)c1C 808497827 XHCOWMZBJVYANR-UHFFFAOYSA-N 304.277 1.635 10 10 DDCE COC/C=C/C(=O)NCc1cc(Br)ccc1O 804738187 GGPATIZXDBULCH-NSCUHMNNSA-N 300.152 1.974 10 10 DDCE COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)OCC(=O)C(C)=O)c1 808540000 NMEKMHGZMCUEMJ-YPMHNXCESA-N 306.314 1.509 10 10 DDCE CC[C@H](N[C@H]1CCC(=O)N(C)C1=O)c1ccc(N(C)C)cc1 818362673 ZZYFEPMPDFTCHO-GJZGRUSLSA-N 303.406 1.941 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)N3CC(CO)C3)C2)cc1 824686737 OFQJUAFDGQCARX-CYBMUJFWSA-N 319.405 1.155 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@H]2C[C@H](C)n3ncnc32)c1O 826889895 ZRGGJAMKTDVFNU-WPRPVWTQSA-N 319.321 1.696 10 10 DDCE Cc1cnn(C)c1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 824409317 BCDKTTWGGDUTEM-JTQLQIEISA-N 304.350 1.892 10 10 DDCE COc1ccc(CNC(=O)Cc2c(C)cc(C)nc2O)c(O)c1 907927080 SYXLNGVCXVGEQR-UHFFFAOYSA-N 316.357 1.977 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)CCc2cn(C)nn2)c1 830541526 ZIDWMHYGCHUZCH-SNVBAGLBSA-N 304.350 1.339 10 10 DDCE CC(C)(C)OCC(=O)NC(C)(C)C(=O)NCc1ccccc1O 845834333 SOPMLOZSLKOKNW-UHFFFAOYSA-N 322.405 1.718 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCC[C@@]3(CCNC3)C2)c1O 843123940 SLGVZRYBPYDJOW-INIZCTEOSA-N 321.377 1.885 10 10 DDCE C[C@@H](C1CC1)N(Cc1cc(O)n2ncc(C(=O)O)c2n1)C1CC1 846235568 HDQALMXAABARFK-VIFPVBQESA-N 316.361 1.896 10 10 DDCE COCCNC1CCN(Cc2cc(OC)c(OC)cc2O)CC1 844901412 UZURLNCATXOOHS-UHFFFAOYSA-N 324.421 1.610 10 10 DDCE COc1cc(O)c(CN2C[C@H](C)N(CCO)C[C@H]2C)cc1OC 841890512 BYZCFRLESXVPSS-QWHCGFSZSA-N 324.421 1.296 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@@H](F)[C@H](N)C1 852760584 IZXBOVISAZGHSC-HZPDHXFCSA-N 322.428 1.082 10 10 DDCE COC[C@H](O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 897268697 OZIHOUJONYWISC-SECBINFHSA-N 311.359 1.440 10 10 DDCE NC(=O)CC1(NCc2cc(Cl)cc([N+](=O)[O-])c2O)CCC1 789555248 VMXMIOZHMCEXOD-UHFFFAOYSA-N 313.741 1.842 10 10 DDCE COC(=O)[C@@]1(O)CCN(Cc2ccc3ccccc3c2O)C1 895703770 OYIMHTAOBGVTMI-QGZVFWFLSA-N 301.342 1.655 10 10 DDCE CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1150768093 HUKJJJKSJWDNTB-GFCCVEGCSA-N 317.349 1.590 10 10 DDCE Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NCc1c(O)cccc1O 1304053972 YEZXRHWPMJXVFK-SNVBAGLBSA-N 317.389 1.943 10 10 DDCE CC(=O)c1cccc(S(=O)(=O)NCc2ccc(O)cc2O)c1 1189249775 NQNSBMCHEPHPBW-UHFFFAOYSA-N 321.354 1.779 10 10 DDCE CCOc1ccc(N2CCN(C(=O)c3ccnnc3)CC2)cc1 1319624759 XOOFWTDHAOITBS-UHFFFAOYSA-N 312.373 1.838 10 10 DDCE C[C@H](NCc1c(O)cccc1Br)C(=O)NC1CC1 706852159 USERKWSXNOEGJJ-QMMMGPOBSA-N 313.195 1.911 10 10 DDCE CN1CCC(n2cc(NC(=O)c3cccc(O)c3O)cn2)CC1 1332194078 IXQFSTDDEKXLAM-UHFFFAOYSA-N 316.361 1.813 10 10 DDCE CN[C@@H](c1ccc(N(C)C)cc1)c1nc(Br)nn1C 2116537622 MDGXUIWWMHSRAC-NSHDSACASA-N 324.226 1.952 10 10 DDCE C[S@](=O)[C@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1611683751 ZFOOUSUBMVNFNJ-IBILFNBTSA-N 322.390 1.878 10 10 DDCE COC(=O)c1c(C)[nH]c(C(=O)NCc2c(O)cccc2O)c1C 1472064447 WZQSSWYYLFSIED-UHFFFAOYSA-N 318.329 1.759 10 10 DDCE COc1ccc(N2CCSC[C@@H]2S(C)(=O)=O)c(N)c1 213437730 ZYHNBSPOKRZNRG-LBPRGKRZSA-N 302.421 1.201 10 10 DDCE COc1cccc(CNC(=O)c2cc3n(n2)CCC[C@H]3O)c1O 1545683870 CSOWOKWUXMQKAZ-CYBMUJFWSA-N 317.345 1.355 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cccc2c1OCCO2 1626837651 BRVJSHYBQOUKMS-UHFFFAOYSA-N 301.298 1.799 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1cccc2c1NC(=O)CO2 1635658260 NCBATYJYUAOAQV-UHFFFAOYSA-N 312.325 1.995 10 10 DDCE O=C(CCNC(=O)c1c(F)ccc(O)c1O)Nc1ccccn1 1638163011 AECMXCIZMFOPIQ-UHFFFAOYSA-N 319.292 1.391 10 10 DDCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nnc2ccccn12 1588187530 SFJQRBZJJJGFLK-JTQLQIEISA-N 312.329 1.560 10 10 DDCE O=C(NCc1c(O)ccc2ccccc12)C1=C2CCCN=C2NN1 1652709040 SWKGFCPKVFDBOE-UHFFFAOYSA-N 322.368 1.716 10 10 DDCE CC(=O)N1CCC(CCC(=O)NCCc2ccc(N)cc2)CC1 152562102 RDCOMYRYIAICLC-UHFFFAOYSA-N 317.433 1.966 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@H](CF)C(F)(F)F)cc1 2128683250 ZKHDCLQIUNHZSE-SECBINFHSA-N 300.277 1.589 10 10 DDCE O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)ccc12 14644612 RHTZDFORBKRGQU-UHFFFAOYSA-N 302.238 1.988 10 10 DDCE biogenic Nc1ccc(CS(=O)(=O)NC[C@@]2(Cl)CC2(F)F)cc1 2140632609 KZQWDHPJCGLZBC-JTQLQIEISA-N 310.753 1.705 10 10 DDCE O=C(CNCc1ccccc1)NCCc1ccc(O)c(O)c1 1929414926 ICSJHCDMJXJBDE-UHFFFAOYSA-N 300.358 1.546 10 10 DDCE COCCS(=O)(=O)CCNCc1ccc(Cl)cc1O 2139806798 QPYMQNPWJJISJV-UHFFFAOYSA-N 307.799 1.196 10 10 DDCE CC(C)(C)OC(=O)NOCCNC(=O)CCc1ccc(N)cc1 1977672203 HNQFYDABTBTVTJ-UHFFFAOYSA-N 323.393 1.774 10 10 DDCE CCC[C@H](NCc1ccc(Br)cc1O)C(N)=O 2013576291 ONFZXUIDQFCBJM-JTQLQIEISA-N 301.184 1.898 10 10 DDCE CN1CCN(NCc2cc(Br)cc(F)c2O)CC1 715734939 BCGRIONDMPJZDT-UHFFFAOYSA-N 318.190 1.546 10 10 DDCE CC1([C@H]2CCCN(C(=O)c3cc(O)c(O)c(O)c3)C2)OCCO1 2188915409 HWBVFHLUAFWVIX-NSHDSACASA-N 323.345 1.419 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H](O)C[C@H](O)C2)c(Br)c1 2043128422 DIIMPDFBGZUPFN-MIMYLULJSA-N 315.211 1.401 10 10 DDCE CN(C)C(=O)CCN(C)c1ccc(CN)cc1Br 2068209692 QRHFMQQKJYATAL-UHFFFAOYSA-N 314.227 1.822 10 10 DDCE O=S1(=O)CC[C@H]2CN(c3ccc(CO)cc3Cl)C[C@H]21 2088785360 XIDKGXLXBWDIKK-GXFFZTMASA-N 301.795 1.456 10 10 DDCE COc1cc(N2CCSC[C@@H]2S(C)(=O)=O)ccc1CO 2204545297 NMWRUWVZJDNDLQ-ZDUSSCGKSA-N 317.432 1.111 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)c1ccc(CN)c(OC)c1 2204558216 ZQDOEUINMZVDDU-NSHDSACASA-N 300.424 1.413 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@]2(C)C(=O)O)s1 2269131869 AFAIQAZWSGTCHY-LLVKDONJSA-N 301.393 1.624 10 10 DDCE Nc1ccc(CNC(=O)c2cnc(Br)cn2)cc1 2221590678 UYPBNYRBWUBPON-UHFFFAOYSA-N 307.151 1.751 10 10 DDCE Nc1ccc(OCCSc2nnnn2CC(F)F)cc1 2234018861 CYEAVCKOAHYRMT-UHFFFAOYSA-N 301.322 1.692 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CNCCC2(F)F)s1 2269090974 SRDSLHOZTASZFK-QMMMGPOBSA-N 307.391 1.726 10 10 DDCE Cc1nc(S(=O)(=O)Nc2ccc(N)cc2)c(Cl)n1C 2338842365 IDFRBGHMAGKENL-UHFFFAOYSA-N 300.771 1.765 10 10 DDCE CSc1ncc(CN[C@@](C)(C(=O)O)[C@@]2(C)CCN2)s1 2350348940 UMBUTSMNWWLHBO-NEPJUHHUSA-N 301.437 1.550 10 10 DDCE CNS(=O)(=O)c1ccc(NCc2ccc(O)c(O)c2)cc1 37131560 JZEBRSQEECTRJN-UHFFFAOYSA-N 308.359 1.618 10 10 DDCE C[C@H](NCC1CN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 187811999 BXMMSPMTLWCMGY-LBPRGKRZSA-N 311.451 1.295 10 10 DDCE Cc1cc2c(n1-c1ccc(S(N)(=O)=O)cc1)CCC[C@H]2N 41727301 WJTFLNSITVKJDH-CQSZACIVSA-N 305.403 1.769 10 10 DDCE CN1C[C@H](NCc2ccc(N3CCOCC3)cc2)CCC1=O 133027291 LDJUUOGREYMGSD-OAHLLOKOSA-N 303.406 1.234 10 10 DDCE Cc1cc(N2CC[C@@H](S(=O)(=O)C(F)F)C2)ccc1CN 2368590251 FALRMZUUUYUUOD-GFCCVEGCSA-N 304.362 1.670 10 10 DDCE O=C(O)CN(CC(=O)O)Cc1cc(Br)ccc1O 222959861 YXQHTCMWCGRMOU-UHFFFAOYSA-N 318.123 1.126 10 10 DDCE CC(=O)C(=O)COC(=O)C1(c2ccccc2C)CCOCC1 808509630 QXNBFQLOUSFTIN-UHFFFAOYSA-N 304.342 1.745 10 10 DDCE COC(=O)C1(CN2CCN(c3ccc(OC)c(F)c3)CC2)CC1 296719184 HHJMECIQNVHTGB-UHFFFAOYSA-N 322.380 1.910 10 10 DDCE CC[C@@H](C)CS(=O)(=O)C[C@H](O)COc1ccc(N)cc1 722438439 FTFCGBMPDLFIBF-DGCLKSJQSA-N 301.408 1.469 10 10 DDCE CCOc1ccc(CNC2(c3nn[nH]n3)CCCC2)c(O)c1 735408095 REBHQIXNIAABDZ-UHFFFAOYSA-N 303.366 1.863 10 10 DDCE CN(C)c1ccc(CN2CCN(c3nncn3C)CC2)cc1F 848925074 MJTYMLLHOHXPCG-UHFFFAOYSA-N 318.400 1.342 10 10 DDCE COc1cc(O)c(CN(C[C@H]2CCC(=O)N2)C(C)C)cc1OC 840191412 YPAPTLIOCHHRRL-CYBMUJFWSA-N 322.405 1.898 10 10 DDCE NCCCNC(=O)NCc1cc(Br)ccc1O 841929281 IYVCZAXTGDVJID-UHFFFAOYSA-N 302.172 1.303 10 10 DDCE C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@H](C)CN1CCO 841891651 NWPUFDRLBUWSSF-UONOGXRCSA-N 309.429 1.779 10 10 DDCE CC1(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CCN1 841831876 HBCKUVVZWWHLON-UHFFFAOYSA-N 314.433 1.956 10 10 DDCE CCOc1cccc(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)c1O 850368125 IZUPNVRDUXDIGV-AAEUAGOBSA-N 313.419 1.846 10 10 DDCE O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1c(O)cccc1Br 862402446 HKWWKDORJPZMFP-IRWWLHRVSA-N 316.220 1.860 10 10 DDCE OC[C@@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCOC1 930719742 DPYHZKZYCSHXBL-FUHWJXTLSA-N 320.433 1.400 10 10 DDCE CC[C@@H](NC(C)=O)C(=O)NCc1ccc2cccnc2c1O 868938206 RSGOKCQOVPWOSU-CYBMUJFWSA-N 301.346 1.471 10 10 DDCE COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1cc(OC)ccc1O 862516651 WKTHKSKQEUMBQX-WFASDCNBSA-N 323.389 1.849 10 10 DDCE CC[C@H]1NC(=O)N([C@H](C)c2ccc(N3CCOCC3)cc2)C1=O 777624086 CPCRVZZLIBJOLE-IUODEOHRSA-N 317.389 1.915 10 10 DDCE COc1ccc(CNC(=O)c2ccnc3[nH]c(C)nc23)c(O)c1 798006246 FYIKFBURSRFZEZ-UHFFFAOYSA-N 312.329 1.911 10 10 DDCE O=C(N[C@@H](CO)c1ccc(F)cc1F)c1cccc(O)c1O 1148517110 NLOOPHJHUBRODW-LBPRGKRZSA-N 309.268 1.839 10 10 DDCE O=C(Cc1nc2ncccn2n1)NCc1cccc(Cl)c1O 1305069300 CCRBVEUPRAISKF-UHFFFAOYSA-N 317.736 1.342 10 10 DDCE C[C@@H](CNCCCO)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 1319593022 LIRSEPQDSHXQNZ-NSHDSACASA-N 321.381 1.282 10 10 DDCE CN1CCN(c2ccc(CN3C[C@@H](O)C4(CC4)C3)cc2)CC1 1325902932 LKAWZVMIPWMGMB-QGZVFWFLSA-N 301.434 1.395 10 10 DDCE O=C(NC[C@@]12CCCC[C@@H]1C2)C(=O)N1Cc2cccc(O)c2C1 1354871348 RXZDMLRWLBWQJI-ACJLOTCBSA-N 314.385 1.931 10 10 DDCE CN1CCN(C(=O)c2ccnc3c2CC(=O)N3)c2ccccc21 1542887305 IOWIKVLUBZGTDU-UHFFFAOYSA-N 308.341 1.673 10 10 DDCE C[C@H]1CNc2c(C(=O)NCc3c(O)cccc3O)cnn2C1 1472064080 VPACMPCPXBMGKL-VIFPVBQESA-N 302.334 1.286 10 10 DDCE C[C@H](Cc1cnn(C)c1)C(=O)NCCc1ccc(O)c(O)c1 1545669378 XVYNJEZCBSECAH-LLVKDONJSA-N 303.362 1.369 10 10 DDCE COc1ccc(CNC[C@@H](C)N(C)C(=O)c2cc[nH]n2)cc1C 1714550209 UBHWDQLBQGHXPF-CYBMUJFWSA-N 316.405 1.977 10 10 DDCE Cn1ncc(C(=O)NCc2cccc(O)c2O)c1C(F)(F)F 1558160539 XKQBWHXNHUUFGH-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)[C@H]1CCOC1 1732765981 SKGNNGULNKGTHA-INIZCTEOSA-N 320.433 1.978 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1COCO1 1684766437 UDQWIZNGVLLKNS-MRXNPFEDSA-N 319.405 1.801 10 10 DDCE COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 13351457 VURIGNDVTSFLOU-SNVBAGLBSA-N 311.334 1.707 10 10 DDCE CCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(N(C)C)cc1)n2C 154531748 DONVIFSUBLBZKO-UHFFFAOYSA-N 313.361 1.176 10 10 DDCE C[C@H]1CN(S(=O)(=O)N(C)Cc2ccccc2O)[C@H](C)CO1 159648731 JCUKDSPLPLNKIN-NEPJUHHUSA-N 314.407 1.178 10 10 DDCE O=C1Nc2cc(N3CC[C@@](F)(CO)C3)c(Cl)cc2[C@@H]1O 1917135763 HQJZMGGWRRNJJD-AAEUAGOBSA-N 300.717 1.236 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C[N+](=O)[O-] 1951694361 GSDQBCQVCUCDNC-JTQLQIEISA-N 312.322 1.810 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](F)[C@H](N)Cc1ccc(O)c(O)c1 1952903062 ZWURNQKYUXDYFQ-WDEREUQCSA-N 314.357 1.830 10 10 DDCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCc1ccccc1O 1985019979 LDPWNJMSEDGLQP-ZWNOBZJWSA-N 324.377 1.283 10 10 DDCE CC(C)OC(=O)NS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2155554127 WEHDVFLKQKQKFM-VIFPVBQESA-N 305.360 1.531 10 10 DDCE C[C@@H](O)c1ccc(N(C)CC(CO)CO)c(Br)c1 2033014681 RDPYCNBZDVUSTB-SECBINFHSA-N 318.211 1.539 10 10 DDCE NCc1cc(F)c(N2C[C@H]3[C@H](O)C[C@H]3C2)cc1Br 2033969663 AUQCGIYZFKPYRA-IGJMFERPSA-N 315.186 1.864 10 10 DDCE CN(C)c1ccc(CNS(=O)(=O)c2cc(N)cs2)cc1 2160482172 YYLJSBXMHDEVPD-UHFFFAOYSA-N 311.432 1.875 10 10 DDCE CO[C@H](C1CC1)[C@H](C)NC(=O)c1cnn2c(O)cc(C)nc12 2062575493 FCPPPBCQDVNGEO-ZANVPECISA-N 304.350 1.287 10 10 DDCE NCc1ccc(N2CCC[C@H]2[C@H](O)CO)cc1Br 2059281485 ZCOXHSUDEYMCBG-QWHCGFSZSA-N 315.211 1.230 10 10 DDCE Nc1ccc(OCC(=O)N[C@H]2CCCC3(CC2)OCCO3)cc1 2191655545 DQRROTOHSUADLW-AWEZNQCLSA-N 320.389 1.840 10 10 DDCE O=C(O)C(Cl)=C(Cl)C(=O)NCCc1ccc(O)c(O)c1 2203941526 KNVTXDLDZRVKHI-UHFFFAOYSA-N 320.128 1.530 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@]12C[C@H]2C(=O)C(=O)C[C@H]1C[C@H](N)C1 2243547244 NORVBSHNTWIKDW-CPSBBPLTSA-N 322.405 1.555 10 10 DDCE CSc1ncc(CNC(=O)C[C@@H]2CNC3(CC3)CO2)s1 2284504046 JDCQLQJWEBREGE-SECBINFHSA-N 313.448 1.392 10 10 DDCE COC(=O)C1(CS(=O)(=O)Nc2ccc(O)cc2F)CC1 2290077455 MVUWDHOTPCJDNT-UHFFFAOYSA-N 303.311 1.226 10 10 DDCE COCCNC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 2297314625 FUGWORWPLBYGKP-UHFFFAOYSA-N 318.333 1.827 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(Cl)c1 2336342031 CZEWDECQSGCIKN-ZDSQKVDBSA-N 301.795 1.627 10 10 DDCE COC(=O)[C@H]1CCCN(C(=O)[C@H](C)Cc2ccc(O)c(O)c2)C1 170046556 WMYBSXGEPYZODZ-YPMHNXCESA-N 321.373 1.688 10 10 DDCE C[C@H](CC1CC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 112727919 ZJHBMOACZSUQGB-SECBINFHSA-N 312.391 1.682 10 10 DDCE Cn1cc(NC(=O)NCCc2ccc(O)c(O)c2)ccc1=O 172043587 FZMZJRJOZSIGLM-UHFFFAOYSA-N 303.318 1.161 10 10 DDCE COC(=O)c1ccc(/C=C2/SC(=S)N(CCO)C2=O)cc1 210386761 VIPMNSXDVPIMBL-DHZHZOJOSA-N 323.395 1.667 10 10 DDCE CO[C@@H](CCS(C)(=O)=O)CNCc1cc(Cl)ccc1O 2364092524 NYEMZBRBZJJUAF-LBPRGKRZSA-N 321.826 1.585 10 10 DDCE O=C(CNC(=O)c1cccc(O)c1O)Nc1ccc(F)cc1 192993395 LPBGHVWRPQJWOL-UHFFFAOYSA-N 304.277 1.605 10 10 DDCE O=S1(=O)CC(NCc2cc(Br)ccc2O)C1 380140448 PYKHMSCQXGEMRU-UHFFFAOYSA-N 306.181 1.041 10 10 DDCE COc1ccc(N2CCN(CC(=O)NC(C)(C)C)CC2)cc1F 84866984 RMZUKDLRKQFICS-UHFFFAOYSA-N 323.412 1.871 10 10 DDCE C[C@@H](N)CCC(=O)NCc1ccc(N2CCSCC2)cc1 193301213 FDQDDTCQFZJMFG-CYBMUJFWSA-N 307.463 1.983 10 10 DDCE COc1cccc(CNS(=O)(=O)N2C[C@H]3CC[C@H]2C3)c1O 246079168 GIEYONPIYYAJMW-JQWIXIFHSA-N 312.391 1.220 10 10 DDCE CCOC(=O)CC[C@@H](C)NC(=O)NCc1cccc(OC)c1O 270568840 ZUYJZIYRLQBMMZ-LLVKDONJSA-N 324.377 1.932 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCCCN1Cc1ccccc1 808519963 JCDOJWWIRRYRFD-HNNXBMFYSA-N 303.358 1.742 10 10 DDCE C[C@H](N[C@@H]1CCC(=O)N(C)C1=O)c1cc([N+](=O)[O-])ccc1O 818360768 CFJRTTWUMUCGDC-GZMMTYOYSA-N 307.306 1.098 10 10 DDCE CN(C)c1ccc(CNC(=O)Cc2ccc(O)nc2)cc1F 824669018 BRGSYLDZXAEBML-UHFFFAOYSA-N 303.337 1.851 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)/C=C/Cn2cncn2)c1 901127165 JTBWLAXBPJDBMM-PGLGOXFNSA-N 302.334 1.426 10 10 DDCE CC[C@@H](NC[C@]1(CO)COCCN1C)c1ccc(C)cc1O 903279664 RBHRZXCNPYGDIC-WBVHZDCISA-N 308.422 1.434 10 10 DDCE CCOCCOC[C@H](O)CNCc1c(O)cc(C)cc1Cl 840941898 POXDSGXNBDAOCK-GFCCVEGCSA-N 317.813 1.858 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CC[C@@H]3C[C@H]3C2)c1 844107390 PISGUSUXILCLOJ-OUAUKWLOSA-N 324.402 1.682 10 10 DDCE CN(C)c1ccc(CNC(=O)CN(C2CC2)[C@H]2CCNC2)cc1 844221877 XJEBNNUSBQLONC-KRWDZBQOSA-N 316.449 1.195 10 10 DDCE C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)NC(N)=O 847323409 GPFIEFRZXKDZAV-GFCCVEGCSA-N 318.421 1.691 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCC[C@@H](C)[S@@](C)=O)c1 756757456 CEDKGFDJKAWFOM-NNUHMIRASA-N 313.419 1.987 10 10 DDCE C[C@@H]1CN(c2ccc(CNC3=NCCCN3)cc2F)C[C@@H](C)O1 750543260 HWXAHXISXHMTRY-CHWSQXEVSA-N 320.412 1.878 10 10 DDCE COC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCCOC1 924684177 CIKVRXQOOOQSQT-RKWPFYGESA-N 321.373 1.669 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3nc(C)nn3C)C2)cc1 853818616 XIWSDPKHZGKTEH-GFCCVEGCSA-N 315.377 1.141 10 10 DDCE COC(=O)c1cc(OC[C@@H](OC)[C@H]2CCOC2)ccc1N(C)C 865395011 GGYCXYYFUPHOCO-BLLLJJGKSA-N 323.389 1.970 10 10 DDCE CCOc1ccc(CN2CC[C@](OC)(C(=O)OC)C2)c(O)c1 862473596 BHVPMXXZMMJCAX-MRXNPFEDSA-N 309.362 1.555 10 10 DDCE COC(=O)/C=C\c1ccc(N2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 768528313 XOTNEVGUAPXXPG-ABCJJHQDSA-N 306.318 1.598 10 10 DDCE CC(=O)C(=O)COC(=O)c1coc(/C=C\C(=O)OC(C)(C)C)c1 873472748 KGKUMUDVOKNVHX-WAYWQWQTSA-N 322.313 1.949 10 10 DDCE O=C(O)[C@H](C[C@@H]1CCCOC1)NCc1ccc2c(c1)CCO2 1119602181 KRANTNMWCLMYSY-ZFWWWQNUSA-N 305.374 1.981 10 10 DDCE Cc1cc(O)c(CN2CC(C3CS(=O)(=O)C3)C2)cc1Cl 895423750 CSSWQHQJTPPZCY-UHFFFAOYSA-N 315.822 1.830 10 10 DDCE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)Cc2ccc(O)c(O)c2)C1 1963888253 MNENZEGALCGSTL-YPMHNXCESA-N 321.373 1.640 10 10 DDCE NCc1ccc(N2CCCC[C@@H]2C(N)=O)c(Br)c1 212995506 RICPGMUWRKPPFS-GFCCVEGCSA-N 312.211 1.752 10 10 DDCE C[C@H]1CC[C@@H](C)N(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1329466975 BTJMUZNKJKUREG-NWDGAFQWSA-N 302.374 1.881 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@@H]2COC[C@@H]2O)c(Br)c1 708719998 LTIRRJUQHXLDHU-CKLFPEKLSA-N 316.195 1.698 10 10 DDCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cn(C)nc1Br 712425061 NODGXLYBKXNBGS-SSDOTTSWSA-N 317.147 1.297 10 10 DDCE O=C(NCc1cccc(O)c1O)[C@]1([C@H]2CCCCO2)CCCO1 1348046707 ISQPCHSNAPZSRX-RHSMWYFYSA-N 321.373 1.832 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1ccc(CCO)cc1 1456927807 ZFUNZDHHUFDBSN-UHFFFAOYSA-N 301.342 1.492 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@]1([C@@H]2CCCCO2)CCCO1 1521666668 MUIKVOHJBBQMOO-DOTOQJQBSA-N 321.373 1.832 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc2nnc(S)n2c1 1456235088 LEEDDRKHJPXRKP-UHFFFAOYSA-N 316.342 1.359 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCC12CCOCC2 1471227633 RFLLVPMDBSWXAJ-ZDUSSCGKSA-N 305.374 1.963 10 10 DDCE O=C1C[C@@H](Oc2cccc(NC(=O)c3cc(O)cs3)c2)N1 1557003147 OKZPLPHIUJHNJV-CYBMUJFWSA-N 304.327 1.931 10 10 DDCE COc1cc(C(N)=O)ccc1NC(=O)c1ccc(C)c(O)c1O 1637890937 SNXYYLQWACXGGZ-UHFFFAOYSA-N 316.313 1.766 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc(Cn2ccnn2)cc1 1639444644 UDJOEVMLUAJTGP-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE C[C@@H](CCO)C1(CNC(=O)Cc2ccc(O)c(O)c2)CCC1 1566885088 RQRLTMLIHFBUDI-LBPRGKRZSA-N 307.390 1.945 10 10 DDCE COC(=O)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1634413495 YOWZFHOTIJJKPN-NSHDSACASA-N 319.321 1.420 10 10 DDCE CS(=O)(=O)C1(C(=O)NCc2ccc(O)cc2O)CCCC1 1630301465 BDSOYPVOSMCMGE-UHFFFAOYSA-N 313.375 1.071 10 10 DDCE NC(=O)Cc1occc1C(=O)NCc1cc(Cl)ccc1O 1640924693 RHTHCCHZLBSWSF-UHFFFAOYSA-N 308.721 1.596 10 10 DDCE CNC(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 1583334287 AHVVLAKGRUDATC-UHFFFAOYSA-N 314.341 1.316 10 10 DDCE Cn1nccc1-c1nnc(NC(=O)C2=S=C3CCCC3=C2)o1 1851811962 QZRDYHWAACEQJM-UHFFFAOYSA-N 315.358 1.611 10 10 DDCE Nc1ccc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)cc1 1866245034 ZUTMFPDUGNGAPT-UHFFFAOYSA-N 324.340 1.679 10 10 DDCE CC(C)(C)OC(=O)N[C@H](C(=O)O)c1c(O)cccc1[N+](=O)[O-] 1952060769 SEJXEAPGGMYZDW-JTQLQIEISA-N 312.278 1.951 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C=C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980368969 DVUBJLFVOYQYHV-CYDGBPFRSA-N 322.405 1.721 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)Nc1ccc(N)cc1 1985778171 XIDBZMCFQUDSDE-GFCCVEGCSA-N 324.381 1.276 10 10 DDCE NCc1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)c(F)c1F 2145062581 XMIZOGMNPSFLLI-ONGXEEELSA-N 302.346 1.047 10 10 DDCE C[C@H](N)c1ccc(N2CC(O)(CO)C2)cc1Br 2004527155 ZGWBAOHUFAAAGZ-QMMMGPOBSA-N 301.184 1.012 10 10 DDCE Cn1nnc(Br)c1[C@@H](O)[C@H](N)c1ccccc1O 2031146037 LIVQQYUHSORWOI-SCZZXKLOSA-N 313.155 1.017 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)CC[S@]1=O 2171967968 DYWIARZWNSVWMG-VBNKADACSA-N 313.810 1.249 10 10 DDCE CCS(=O)(=O)[C@H]1CCN(c2ccc(CNC)cc2F)C1 2179896780 QZHPOXROAQXIFX-LBPRGKRZSA-N 300.399 1.559 10 10 DDCE CN(CC[S@](C)=O)c1cc(Br)c(CN)cc1F 398919582 CTFRRYGTNZXIOS-KRWDZBQOSA-N 323.231 1.862 10 10 DDCE CC(C)S(=O)(=O)C[C@H](C)N[C@H](C)c1cc(O)ccc1O 2170586154 RNDRFZDMQCHCAQ-WDEREUQCSA-N 301.408 1.960 10 10 DDCE Cn1ncc(C2CCC2)c1CNC(=O)Cc1ccc(O)c(O)c1 1645215458 DJZBKWOZMIRHQC-UHFFFAOYSA-N 315.373 1.958 10 10 DDCE O=C(O)[C@H](NCc1cc(Br)ccc1O)C1COC1 2042973041 VDILGKKCZUTNQF-LLVKDONJSA-N 316.151 1.344 10 10 DDCE C[C@H](Cn1cnnc1)NCc1cccc(Br)c1O 2066623828 XKHNAOIYRORFMX-SECBINFHSA-N 311.183 1.925 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)[C@H]1CC[C@H](CO)C1 2101573313 ISCHWXOGPPPREJ-WPRPVWTQSA-N 305.783 1.948 10 10 DDCE C[C@H](NCCCS(=O)(=O)C(F)F)c1ccc(O)cc1O 2237644794 SQHOXFLIVYZUFK-QMMMGPOBSA-N 309.334 1.776 10 10 DDCE C[C@@H]1CC[C@H](S(C)(=O)=O)CN1c1ccc(CN)c(F)c1 2279333540 INBDZYXNJIGZBH-MFKMUULPSA-N 300.399 1.686 10 10 DDCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1nc(C(F)(F)F)cs1 2296175960 FVVGNPTUIHRCMI-ZCFIWIBFSA-N 308.289 1.978 10 10 DDCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNc1cccnc1 2297620229 ASWOJUNAKKBCAG-UHFFFAOYSA-N 312.285 1.249 10 10 DDCE COC(=O)NC1CN(c2ccc(CN)cc2Br)C1 2326913436 AGNZGCWLTIGQPB-UHFFFAOYSA-N 314.183 1.452 10 10 DDCE Cc1ccc(CNC(=O)[C@H]2CCCN2)c(O)c1Br 2327593478 CPUYJULRZRGKOG-SNVBAGLBSA-N 313.195 1.831 10 10 DDCE Nc1ccc(Cc2nc3cc(S(=O)(=O)O)ccc3[nH]2)cc1 59098895 BGPWGPDZWFPZSP-UHFFFAOYSA-N 303.343 1.983 10 10 DDCE CN(C)CCn1ccc(NCc2cc3c(cc2O)OCO3)n1 119825408 QITRHNBANYFRAB-UHFFFAOYSA-N 304.350 1.491 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](C(N)=O)C2)c1O 37322506 HLIZZAOHLMPJQR-SNVBAGLBSA-N 310.781 1.946 10 10 DDCE CCn1c(C)nnc1CN(C)c1ccc(OCC(=O)OC)cc1 183794858 BVIHDZDFBALGEM-UHFFFAOYSA-N 318.377 1.795 10 10 DDCE COc1cc(Cl)c(N2CCOC[C@H]2CCO)c(OC)c1 2368117799 NSJJIPOPNTZQBA-SNVBAGLBSA-N 301.770 1.945 10 10 DDCE C[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccnn1C 817267955 ZFGAIAFVPAFGQU-SECBINFHSA-N 304.302 1.361 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)C=[N+]=N 575409174 HCSDLRWDCQKYHM-ZDUSSCGKSA-O 320.369 1.976 10 10 DDCE C[C@@H](NC(=O)NC1COCCOC1)c1ccc(N(C)C)cc1 813718920 JFZMSAAGCVBWBT-GFCCVEGCSA-N 307.394 1.528 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cc(Cl)cc(C)c1O 826986109 QZOHVRODYOKYAW-NWDGAFQWSA-N 319.810 1.256 10 10 DDCE CNS(=O)(=O)[C@@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 733301643 VRLUVTRIZYTRDO-OAHLLOKOSA-N 324.446 1.395 10 10 DDCE O=C(C1CC1)[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CCO1 830599149 HBGOBTCASZXEAL-LLVKDONJSA-N 309.293 1.057 10 10 DDCE C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)/C=C\c1ccc(O)c(O)c1 588406958 ADZYILPFXWIJNB-OJWNKBRNSA-N 304.390 1.910 10 10 DDCE Cc1ccc(C(=O)N2CC[C@@H](N3CCC3)[C@@H](F)C2)c(O)c1O 834595713 YOYGEGHGGQXXMD-QWHCGFSZSA-N 308.353 1.665 10 10 DDCE COc1cccc(CN2CCOC[C@H]2c2ccnn2C)c1O 846115958 OSBFPSIEEKYZFF-AWEZNQCLSA-N 303.362 1.708 10 10 DDCE Cc1ncc2n1C[C@@H](C(=O)NCc1c(O)cccc1F)CC2 928707140 ATRQJHUITMOOKO-NSHDSACASA-N 303.337 1.915 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)C=C1CCNCC1 852872268 KLKYGXQWMCDKCY-UHFFFAOYSA-N 301.390 1.788 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3coc(CN)c3)C2)cc1 852844491 VEFWDKWDMXHDBG-CYBMUJFWSA-N 315.373 1.756 10 10 DDCE C[C@@H](NC(=O)N[C@@H](CCF)C(=O)O)c1ccc(N(C)C)cc1 929046450 UWQUWOBYCUBDGC-MFKMUULPSA-N 311.357 1.926 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cc2c(nc1O)CCOC2 928710579 VACPSXZIHLOIFA-UHFFFAOYSA-N 318.304 1.635 10 10 DDCE Nc1ccc(NC(=O)C(=O)NCC[C@@H]2CC2(Cl)Cl)cc1 857098659 KNUBPFJLTMNMIM-MRVPVSSYSA-N 316.188 1.907 10 10 DDCE COC[C@@]1(C)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 863833392 TVURIYVVLXIOEE-MQDFFIGUSA-N 307.346 1.375 10 10 DDCE Cc1cc(C)n2nc(NC(=O)N3Cc4cccc(O)c4C3)nc2n1 866100427 UXRHYYHNVORMES-UHFFFAOYSA-N 324.344 1.994 10 10 DDCE O=C1OC[C@]2(CNCc3cccc(Cl)c3O)COCCN12 872263105 WEMPATNBWSWOIQ-AWEZNQCLSA-N 312.753 1.356 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](O)[C@@H](C)O 871128899 NCGYGMRJILPBOX-DGCLKSJQSA-N 308.403 1.627 10 10 DDCE C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](CO)O1 897521928 QWAVPRMAAJKSEL-WCBMZHEXSA-N 323.370 1.534 10 10 DDCE C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC(N=[N+]=[N-])C1 1880838004 ZDCCUZHMXMCEJQ-SNVBAGLBSA-N 303.322 1.822 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNC(=O)c1cccc(O)c1O 1895311736 SJQAXIFEEUONQF-GXSJLCMTSA-N 322.361 1.741 10 10 DDCE COc1ccc(CNC(=O)NCCCN2CCOC2=O)c(O)c1 792951247 PYNXTDSXVJDOGU-UHFFFAOYSA-N 323.349 1.042 10 10 DDCE CC(C)(C)OC(=O)NC1(C(N)=O)CN(CCCCN=[N+]=[N-])C1 1962287686 LUHZLPJMITTWBR-UHFFFAOYSA-N 312.374 1.141 10 10 DDCE O=C(O)C[C@H](NCc1ccc2c(c1)CCO2)C1CCOCC1 1321864013 YNLTXGZPRGPKAO-HNNXBMFYSA-N 305.374 1.981 10 10 DDCE NCc1ccc(N2CCOC[C@H]2CCO)c(Br)c1 694922128 QLAVHRCVYAOWDX-LLVKDONJSA-N 315.211 1.495 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)CCc2cnn(C)n2)c1 1445965090 FANUIDBWUGMOCD-SNVBAGLBSA-N 304.350 1.339 10 10 DDCE CCO[C@H]1COCC[C@@H]1CC(=O)NCc1cccc(O)c1O 1520508970 QEKPMVLNFGETFZ-RISCZKNCSA-N 309.362 1.546 10 10 DDCE COCC[C@@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCOC1 1617971044 XNVRXOVYNKLFSZ-OAHLLOKOSA-N 320.349 1.774 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCCN2CCCC2=O)cc1 1628978381 BIVKVJDJWOHNTH-UHFFFAOYSA-N 317.349 1.591 10 10 DDCE CCOC(=O)N[C@@H](C(=O)NCc1cccc(O)c1O)C(C)C 1637035292 QJSKRDBCXZEWSW-GFCCVEGCSA-N 310.350 1.485 10 10 DDCE CC(C)(C)N1CCC[C@H](C(=O)NCc2c(O)cccc2O)C1=O 1597574237 LBOFSWNSGVFVKU-LLVKDONJSA-N 320.389 1.751 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@@H](C)C(C)C)cc1C 1667899049 KXPJWKQIHIETME-GOEBONIOSA-N 322.449 1.862 10 10 DDCE O=C(CNC(=O)c1ccccc1)NCc1cc(O)ccc1O 1593868751 OHWNKFDMPWBXFM-UHFFFAOYSA-N 300.314 1.144 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@]2(CCOC2)C1 1772918599 RRUGAXODAOSBEI-ZENLRNHISA-N 305.330 1.129 10 10 DDCE COc1ncc(Br)c(C)c1[C@@H](O)C(=O)C(C)=O 2303074974 YETRXERBCWMPIW-SNVBAGLBSA-N 302.124 1.353 10 10 DDCE CCOc1cccc(CNCCC(=O)NC[C@@H]2CCCO2)c1O 1857860260 UZBUYOLOBWXZKS-AWEZNQCLSA-N 322.405 1.566 10 10 DDCE CCCOCCOC(=O)CNCc1cccc(OCC)c1O 1857872234 CGADEKQSJFROCL-UHFFFAOYSA-N 311.378 1.850 10 10 DDCE COc1cc(Cl)cc(CNCCNC(=O)C(C)C)c1O 228669568 XGRYLTWVRYUPQJ-UHFFFAOYSA-N 300.786 1.916 10 10 DDCE CN[C@@H](C)c1ccc(N2CC[C@H]2C(N)=O)c(Br)c1 2028926849 KKBZNVNWBLZFQC-UFBFGSQYSA-N 312.211 1.794 10 10 DDCE NCCCN(Cc1ccccc1)C(=O)c1cc(O)nc(O)c1 309765224 GUBJCWKZUPMQAN-UHFFFAOYSA-N 301.346 1.484 10 10 DDCE CN(c1ccc(CO)cc1Br)[C@H]1COC[C@@H]1O 708712552 FGEOWJPBRGTWSX-RYUDHWBXSA-N 302.168 1.137 10 10 DDCE CN(c1ccc(CO)cc1F)[C@@H]1CCCS(=O)(=O)CC1 694193503 XEXRKAREQPYRFI-GFCCVEGCSA-N 301.383 1.722 10 10 DDCE NCc1ccc(N2CC[C@H](O)[C@H](CO)C2)c(Br)c1 396885186 NENYITWSDBCMGE-GWCFXTLKSA-N 315.211 1.087 10 10 DDCE Cn1nnc2c1[C@H](C(=O)NCc1cc(Cl)ccc1O)CCC2 2063158960 SZVLNBNDVUCGFW-LLVKDONJSA-N 320.780 1.910 10 10 DDCE NCc1cc(F)c(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl 2177376549 GQRIBYTYTWJAON-AOOOYVTPSA-N 318.801 1.419 10 10 DDCE CC[C@H](N[C@@H](CO)[C@@H](C)O)c1cc(Br)ccc1O 2053800757 RBSLSAVEYBSJHI-ZHAHWJHGSA-N 318.211 1.937 10 10 DDCE CCOC(C)(C)CS(=O)(=O)NCc1cccc(C)c1O 2204610931 RMODEZSQUIEDME-UHFFFAOYSA-N 301.408 1.935 10 10 DDCE CS(=O)(=O)[C@H](CNCc1cc(F)cc(F)c1O)C1CC1 2232831396 WYMDJSJZOILRIK-GFCCVEGCSA-N 305.346 1.583 10 10 DDCE CN(C)c1ncc(C=CC(=O)N2CCOc3ccccc32)cn1 2324672952 BYVOMWXEMIQRRH-UHFFFAOYSA-N 310.357 1.981 10 10 DDCE Cc1ccc(Cn2cc(CCN)nn2)c(O)c1Br 2327601144 ZRBQNYBCXLPSGJ-UHFFFAOYSA-N 311.183 1.604 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3C[C@H]2[C@H](O)[C@H](O)C3)cc1Cl 2355630456 PMRDIJCZYJJVPF-AGEZSHCCSA-N 300.761 1.258 10 10 DDCE CS(=O)(=O)Oc1cccc2c1C(=O)c1ccccc1C2=O 4659192 RRLVODSGMZRFIG-UHFFFAOYSA-N 302.307 1.800 10 10 DDCE CC(C)[C@H]1SC[C@@H](C(=O)O)N1C(=O)c1cc(O)nc(O)c1 111427033 KBAQWEVASITCLY-QPUJVOFHSA-N 312.347 1.117 10 10 DDCE CN(C)c1ccc(/C=C/C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 41530341 RXEPJKCNLOLNFZ-OQHXTRMZSA-N 308.403 1.069 10 10 DDCE COc1ccc(N2CCN(C(=O)CNC(=O)C(C)C)CC2)cc1 41428751 FCPCLSVSCAIMAM-UHFFFAOYSA-N 319.405 1.116 10 10 DDCE C[C@H](NCc1ccc(N2CCOCC2)cc1)c1nncn1C 320128215 IZCRXQLKHLRHOJ-ZDUSSCGKSA-N 301.394 1.503 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCN(C[C@H](C)O)C[C@@H]2C)c1O 249517964 SOCSLUWIDIVZHU-RYUDHWBXSA-N 324.396 1.621 10 10 DDCE O[C@@H](CCNCc1ccc(N2CCOCC2)cc1)C(F)(F)F 809743387 QRGRHGALVHFCEQ-AWEZNQCLSA-N 318.339 1.926 10 10 DDCE CN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CCC1=O 827360038 ZNACXZDYQXQEPO-UHFFFAOYSA-N 313.741 1.618 10 10 DDCE CNC(=O)CCCNC(=O)c1cc2cc(O)c(O)cc2s1 900694366 GNJARTXYPMSJAL-UHFFFAOYSA-N 308.359 1.569 10 10 DDCE C[C@@H]1C(=O)N(C)CN1Cc1ccc(N2CCN(C)CC2)cc1 843435377 NNAGMAFDXCHKKU-CQSZACIVSA-N 302.422 1.058 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN(CC(=O)O)CC2CC2)c1O 844937887 ZJWWGUZTYKRVBJ-UHFFFAOYSA-N 310.306 1.606 10 10 DDCE Nc1ccc(CCNC(=O)N2CCC[C@]3(CCNC3)C2)cc1 841955751 LXVHFXZYSNWFTI-QGZVFWFLSA-N 302.422 1.596 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(C)[C@@H]1C 919081994 QDRDQFBSFRGWPD-CZUORRHYSA-N 304.438 1.953 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C[C@@H]1CN(C2CC2)C(=O)O1 844315080 WKBQVVUIDHJVJZ-CQSZACIVSA-N 317.389 1.935 10 10 DDCE Fc1cc(CNCC[C@@H]2CCNC2)ccc1N1CCOCC1 841035076 FHALDMISFDMJCB-AWEZNQCLSA-N 307.413 1.752 10 10 DDCE CN(C)c1cc(F)c(CNC[C@H](O)c2ccnn2C)cc1F 922970451 OFQSRYRCTAOJBC-HNNXBMFYSA-N 310.348 1.588 10 10 DDCE O=C1[C@H](NCc2cc([N+](=O)[O-])ccc2O)CCN1C1CCC1 858342858 QNRGWCGWIUDLKM-CYBMUJFWSA-N 305.334 1.543 10 10 DDCE COCCN(C[C@H]1CNCCO1)c1ccc(OC)c(OC)c1 852746967 VSSIUTJCAJJCEE-CQSZACIVSA-N 310.394 1.145 10 10 DDCE C[C@H](NC[C@H]1CC2(CCNCC2)C(=O)O1)c1cc(F)ccc1O 925859192 WDUDUKKRLXSQTG-WCQYABFASA-N 322.380 1.867 10 10 DDCE c1cc(N2CCOCC2)ccc1CNCc1cnn2c1CCC2 850069487 NUYCPEATXVPBNC-UHFFFAOYSA-N 312.417 1.956 10 10 DDCE O=C(CCN1CCOCC1)NCc1ccc2cccnc2c1O 862027885 IMASWJBRCWKXKU-UHFFFAOYSA-N 315.373 1.279 10 10 DDCE Cc1ccc([C@@H](C)NCC(C)(C)CS(N)(=O)=O)c(O)c1 866571555 CUEIAHROSRADRB-LLVKDONJSA-N 300.424 1.666 10 10 DDCE COc1ccc(O)c(CNC(=O)C2CN(CC(F)(F)F)C2)c1 776348683 COMCZHKQLPGITD-UHFFFAOYSA-N 318.295 1.511 10 10 DDCE CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2 898167403 CFGAFNHMXZKEQE-UQOMUDLDSA-N 304.390 1.941 10 10 DDCE CCCC(=O)N1CCC[C@@H]1C(=O)NCc1cc(O)ccc1O 1153879460 PIEOBZIMLJDWAR-CYBMUJFWSA-N 306.362 1.505 10 10 DDCE O=C(CS(=O)(=O)C1CCCC1)NCc1cc(O)ccc1O 1303223599 WSORJZDMTWEFQI-UHFFFAOYSA-N 313.375 1.071 10 10 DDCE O=S(=O)(NCCCNCc1c(O)cccc1F)C1CC1 1964060992 RWWCLPTXYXIALY-UHFFFAOYSA-N 302.371 1.093 10 10 DDCE O=C(CCCOC1CCOCC1)NCc1c(O)cccc1O 1178917178 LIQKSSXOLRNSAJ-UHFFFAOYSA-N 309.362 1.690 10 10 DDCE CCN(Cc1ccc(N)cc1)S(=O)(=O)CCOC(C)C 93664963 FWHYLJMODQLTNN-UHFFFAOYSA-N 300.424 1.846 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CC(F)(F)C3)C2)cc1 1263731700 MLALQYUCIYJZBA-LLVKDONJSA-N 311.332 1.934 10 10 DDCE COc1ccc(CNC(=O)N[C@@H]2CC[C@H]3CN(C)C[C@H]32)c(O)c1 1348310091 HHHPIUCXQYBWLQ-NWANDNLSSA-N 319.405 1.540 10 10 DDCE COC(=O)CCCCNC(=O)c1ccc(N=NC(N)=O)cc1 1464588502 ZUAWHFFKVMDRIF-UHFFFAOYSA-N 306.322 1.922 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cc(Br)n[nH]1 1471662253 VTEKPSYLKIHIEE-UHFFFAOYSA-N 312.123 1.513 10 10 DDCE CC(C)CN1N=C(C(=O)NCc2c(O)cccc2O)CCC1=O 1558533382 DYYXHBXZUSXMPF-UHFFFAOYSA-N 319.361 1.348 10 10 DDCE Cc1nc(O)nc(O)c1CCC(=O)N[C@H](C)c1ccccc1O 1635793920 NSTRROLBQUOBKP-SECBINFHSA-N 317.345 1.712 10 10 DDCE O=C(N[C@H]1Cc2cccc(O)c2C1)c1c(F)ccc(O)c1O 1638572797 VBLXKJCAKFTWSS-VIFPVBQESA-N 303.289 1.840 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](Oc2ccncc2)C1 1635549897 COSCUWLPMVZJSX-CQSZACIVSA-N 314.341 1.715 10 10 DDCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)[C@@H]2C[C@H]2C)cc1C 1677103426 DWHWPKFWJKNCGK-DAXOMENPSA-N 320.433 1.569 10 10 DDCE CN(CCN=[N+]=[N-])[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 1912190735 IPLCCIRJLKFOOJ-SSDOTTSWSA-N 303.310 1.051 10 10 DDCE C[C@@H](NC(=O)NCc1ccc(O)nn1)c1ccc(N(C)C)cc1 1686174070 WIHYJNULFWBYJH-LLVKDONJSA-N 315.377 1.809 10 10 DDCE C[C@@H](NC(=O)NCc1cccc(Cl)c1O)c1nnnn1C 1687779554 CSYDFJLSXQBZTK-SSDOTTSWSA-N 310.745 1.130 10 10 DDCE CC1(C)CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CCS1 158739550 TXCJYWJKYYZRFM-NSHDSACASA-N 310.419 1.322 10 10 DDCE C[C@@H](N)c1ccc(N2CCO[C@@H](CO)C2)c(Br)c1 168117390 LJGOCFDFAVQJCU-MWLCHTKSSA-N 315.211 1.666 10 10 DDCE CC(=O)NCCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S 1858586835 IYYDYEAPSSONOM-XYOKQWHBSA-N 322.411 1.730 10 10 DDCE CN(c1ccc(CN)c(Br)c1)C(C)(C)C(N)=O 1915535071 AZMNBYLEMMOPGM-UHFFFAOYSA-N 300.200 1.608 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(O)c(F)c1 230816991 VKUYWZQMVDYBQE-UHFFFAOYSA-N 305.718 1.719 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1Cl 2144167962 XLLIONXGAZAFTO-VWYCJHECSA-N 314.838 1.841 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CCN(C[C@H](N)c2ccccc2O)C1 1980561931 POWHCEBTAQAVGP-OCCSQVGLSA-N 321.421 1.991 10 10 DDCE Nc1ccc(-n2nccc2NS(=O)(=O)C2(Cl)CC2)cc1 2145068337 PWJULGKGRZNWKZ-UHFFFAOYSA-N 312.782 1.925 10 10 DDCE CNCc1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)c(Cl)c1 2151285845 LWSAAQJUEVXAQU-BXUZGUMPSA-N 314.838 1.683 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3C[C@H](O)C(F)(F)C3)c(Cl)cc21 2152098295 LQLGFTDJXYKSRL-VHSXEESVSA-N 303.696 1.108 10 10 DDCE Cn1cc(Br)c(=NCc2ccc(O)c(O)c2O)[nH]1 2038253925 WPDQJMYDJKTFDG-UHFFFAOYSA-N 314.139 1.333 10 10 DDCE CC[C@H](N[C@@H]1CONC1=O)c1cc(Br)ccc1O 393800663 PXMFTNXHZDTUHL-VHSXEESVSA-N 315.167 1.625 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)c1cncc(N2CCCC2)n1 2063729247 RZXGHHISTKVRPP-UHFFFAOYSA-N 300.318 1.740 10 10 DDCE CNC(=O)c1cn(Cc2cc(C(F)(F)F)ccc2O)nc1O 2070624295 PEKBBLAZOYQORE-UHFFFAOYSA-N 315.251 1.721 10 10 DDCE NCc1cc(F)c(N2[C@H]3CC[C@H]2[C@H](O)[C@H](O)C3)cc1Cl 2190461576 UORPBWDJMNECOD-DVXMNORISA-N 300.761 1.401 10 10 DDCE OCCO[C@H]1CCN(c2ccc(CO)cc2Br)C1 2046682179 GEEPSSSUDPTKQZ-NSHDSACASA-N 316.195 1.529 10 10 DDCE CC[C@](C)(CN(C)S(=O)(=O)Cc1ccc(N)cc1)OC 2186324998 KFHHVXPSALHELW-CQSZACIVSA-N 300.424 1.846 10 10 DDCE Oc1cc(Br)ccc1CN1CCO[C@@H]2COC[C@@H]21 2072497935 VLBBFUBTLNFBRL-WCQYABFASA-N 314.179 1.754 10 10 DDCE CSc1nc(Cl)cc(=NC(=O)c2cccc(O)c2O)[nH]1 2203513237 JCUAWMRXDCUOMW-UHFFFAOYSA-N 311.750 1.937 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CC[C@@H](C(=O)O)N2C)s1 2284493818 FYIWDDTYNNFRGQ-IUCAKERBSA-N 315.420 1.029 10 10 DDCE O=C1NC(=O)N(c2ccccc2Cl)C(=O)C1=CNC1CC1 2296938669 LSFALJCYFCSOTO-UHFFFAOYSA-N 305.721 1.559 10 10 DDCE CC1(CNC(=O)C=Cc2ccc(N3CCOCC3)cc2)COC1 2297547761 YRPCKTMIKPJCJE-UHFFFAOYSA-N 316.401 1.689 10 10 DDCE Cc1c(C=CC(=O)NCCc2ccc(O)c(O)c2)cnn1C 2305628422 LZMJKPRCQXSFHY-UHFFFAOYSA-N 301.346 1.512 10 10 DDCE Cc1ccc(CN[C@H]2CCC(=O)NC2)c(O)c1Br 2327612769 OXIDTHHLAJMCOS-JTQLQIEISA-N 313.195 1.831 10 10 DDCE CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1C 115279381 NMXQQZNMZLOPAR-OAHLLOKOSA-N 321.446 1.599 10 10 DDCE COCCNCc1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)cc1 62736353 TXDDFFIMFBGFLG-OAHLLOKOSA-N 312.435 1.046 10 10 DDCE Nc1ccc(NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 217313682 BQJXHBSHEQRXBB-UHFFFAOYSA-N 314.345 1.852 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CCCCN1C(=O)c1cccs1 808500605 SDESHLFULGFRQI-LLVKDONJSA-N 323.370 1.444 10 10 DDCE CO[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H]1CCOC1 824676409 JXWDOCYNIXZCLZ-NVXWUHKLSA-N 318.417 1.737 10 10 DDCE CN(C)c1ccc(CNC(=O)c2nnn(C(C)(C)C)n2)cc1F 824669590 NTQSNEGEFJNQDI-UHFFFAOYSA-N 320.372 1.563 10 10 DDCE CN(C)c1ccc(/C=C/CNCC2(C(N)=O)CCOCC2)cc1 835037145 SKTSLPCBAMPYHR-ONEGZZNKSA-N 317.433 1.638 10 10 DDCE CC(C)(C)N1CC[C@@](F)(C(=O)NCc2ccc(O)cc2O)C1 910944108 KUTYSFOWCNSCRL-INIZCTEOSA-N 310.369 1.927 10 10 DDCE CC[C@@]1(C)NC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O 849356919 HXSNSYOLSDFULN-SUMWQHHRSA-N 317.389 1.994 10 10 DDCE C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1[C@H]2CN[C@H]1C2 925718676 ZALQGAATVZCVPR-MDUILUSMSA-N 315.461 1.734 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cc3ccon3)C2)cc1 855229986 DJOGDYNIWGYSRU-ZDUSSCGKSA-N 301.346 1.621 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C3CC(C)(O)C3)C2)cc1 855227199 WLPJUKAPLABDPM-JZLYGMAVSA-N 304.390 1.551 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCC(C)(C)N)C2)cc1 851664617 HFGXLRVTFQWFTH-GFCCVEGCSA-N 306.410 1.310 10 10 DDCE COc1ccc(N2CCN(C[C@]3(O)CCCOC3)CC2)cc1F 851806833 AJOFLRDNGGIQIJ-QGZVFWFLSA-N 324.396 1.498 10 10 DDCE CCOc1ccc(O)c(CN2CCN(CCCCO)CC2)c1 769393392 BDIMPTCCVNVQLU-UHFFFAOYSA-N 308.422 1.681 10 10 DDCE COC(=O)C[C@@H]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 1119926082 PHQSPLZGSXBUNQ-GPEUJJIWSA-N 319.357 1.959 10 10 DDCE O=C(C1CC1)N1CCC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 871198009 DBKZJPWGLIWDEC-AWEZNQCLSA-N 314.385 1.883 10 10 DDCE C[C@H](NC[C@@H](O)CC1(O)CCOCC1)c1ccc(N(C)C)cc1 872206634 YVXFVXFERWSDLQ-YOEHRIQHSA-N 322.449 1.696 10 10 DDCE CCN(CC)c1ccc(CN(C)C2CS(=O)(=O)C2)cc1F 895398375 QKAIPOZGITXBGO-UHFFFAOYSA-N 314.426 1.901 10 10 DDCE CN(CC(=O)NCc1ccc(O)cc1O)C(=O)c1cccs1 1142530294 OBSUJNHMFSVBHZ-UHFFFAOYSA-N 320.370 1.548 10 10 DDCE O=C1COc2cc(C(=O)N3Cc4cccc(O)c4C3)ccc2N1 1302785960 BPVBMYFHBVKHJS-UHFFFAOYSA-N 310.309 1.879 10 10 DDCE Cc1ccn(CC(=O)NCc2cc(Cl)ccc2O)c(=O)c1 1300395849 FDOZCWWVOSJPHH-UHFFFAOYSA-N 306.749 1.832 10 10 DDCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)c1ccccc1 1160680452 ASEPVCCLCILYDI-GTNSWQLSSA-N 301.342 1.879 10 10 DDCE Cc1nc(SCCC(=O)NCc2c(O)cccc2O)n[nH]1 1472063713 OFPPRUHOCBIVIJ-UHFFFAOYSA-N 308.363 1.323 10 10 DDCE C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nn(C)cc1O 1472237414 RAQHGBOZEWPFQS-DNQSNQRASA-N 303.318 1.428 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccc(Cc2nc[nH]n2)cc1 1639444428 LIVARFYFZXUTNB-UHFFFAOYSA-N 324.340 1.737 10 10 DDCE COc1cccc(CNC(=O)c2cnc(SC)nc2O)c1O 1630366023 IUYDOPFKMWTUSJ-UHFFFAOYSA-N 321.358 1.548 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCCN(S(=O)(=O)C[C@H]2CCCO2)C1 1912174058 URWBHYICTLNUME-NWDGAFQWSA-N 302.400 1.908 10 10 DDCE CN1NC(=O)[C@H](CC(=O)Nc2ccccc2C(C)(C)C)C1=O 169996040 LLPBFNKVJHFGFJ-JTQLQIEISA-N 303.362 1.432 10 10 DDCE COc1ccc(N2CCC(N[C@@]3(CO)CCOC3)CC2)cc1 363868563 OGNQEEVKMXZZQT-QGZVFWFLSA-N 306.406 1.405 10 10 DDCE C[C@H]1CN(c2ccc(CN)cc2Br)C2(CC2)C(=O)N1 2132026725 XSJVTLOQFMJDRJ-VIFPVBQESA-N 324.222 1.765 10 10 DDCE COC1(C(=O)O)CN(Cc2cc(Cl)cc(Cl)c2O)C1 1917723552 ZPELUOYDZNOPSH-UHFFFAOYSA-N 306.145 1.984 10 10 DDCE [N-]=[N+]=NCCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] 126854713 CVMZYMDCCTYRSF-UHFFFAOYSA-N 303.275 1.713 10 10 DDCE COc1cc(Br)cc([C@@H]2CN(C)C(=O)CN2)c1O 1952343550 ZEAZVAHRQSLFGI-VIFPVBQESA-N 315.167 1.266 10 10 DDCE CON(CCNC(=O)Cc1ccc(N)cc1)C(=O)OC(C)(C)C 1977672075 FLURPWXJGUJWFU-UHFFFAOYSA-N 323.393 1.726 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1CCN1C(=O)Cc1ccc(N)cc1 1977883522 FGSQESYRFDMDEP-CQSZACIVSA-N 319.405 1.937 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNC(=O)Cc1ccc(N)cc1 1977995247 BZCYVUBRGSIBQX-JSGCOSHPSA-N 319.405 1.841 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(N)cc2)C[C@@H]1CO 1984269684 HLRPIDHELOUTML-IUODEOHRSA-N 321.421 1.981 10 10 DDCE CS(=O)(=O)[C@H]1CC[C@H](NCc2cc(F)cc(F)c2O)C1 2145415984 YVYBPJFGOAXXFR-QWRGUYRKSA-N 305.346 1.726 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1ccc(Cl)cc1O 2146317079 XAXGORJUFCEYTL-WCQYABFASA-N 319.810 1.289 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CC3(CSC3)C2)cc1 2146377281 LFIXGILDKNLGDC-UHFFFAOYSA-N 314.432 1.026 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@]3(CO)C2)cc1Br 2029639738 VTBPYHLPUXAMCV-SMDDNHRTSA-N 311.223 1.987 10 10 DDCE COC1(CO)CN(c2ccc([C@@H](C)N)cc2Br)C1 2039550956 AMSKMUSLIZYRNU-SECBINFHSA-N 315.211 1.666 10 10 DDCE CO[C@@](C)(CO)CNCc1cc(Br)ccc1O 702532646 SZDRCVZRNYGJGV-GFCCVEGCSA-N 304.184 1.642 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)CC[S@@]1=O 2171959365 JBZBTJHSGGVGCC-CQDIJFMHSA-N 314.794 1.283 10 10 DDCE NC(=O)NCCNCc1cc(Br)cc(F)c1O 715778901 NQJXPFFEHZGHBT-UHFFFAOYSA-N 306.135 1.052 10 10 DDCE CN(C)[C@@H](C(=O)NCc1cccc(O)c1O)c1cscn1 2064290217 JJTJHXQFRSBUGH-GFCCVEGCSA-N 307.375 1.473 10 10 DDCE COc1cccc(O)c1[C@@H](C)n1ncc(C(=O)NC2CC2)c1O 2070499117 DNCLAMSPOBXOAC-SECBINFHSA-N 317.345 1.804 10 10 DDCE Nc1ccc(O)c(CNS(=O)(=O)[C@H]2CCCC[C@@H]2F)c1 2175575344 UGFIPDZXXXQYOR-AAEUAGOBSA-N 302.371 1.675 10 10 DDCE CNC(=O)CN(C)Cc1c(Br)ccc(OC)c1O 1231548222 QBEYZMRKTAGQMP-UHFFFAOYSA-N 317.183 1.341 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1C[C@H]2C[C@H]1[C@H](O)[C@H]2O 2047622494 AKQAZBBSQMHAPB-LZNLXEJNSA-N 313.195 1.573 10 10 DDCE Oc1ccc(Br)cc1CNCC[C@@H]1COC[C@@H]1O 2048706811 PZXLIKCEZXUMGH-RNCFNFMXSA-N 316.195 1.642 10 10 DDCE N[C@@H]1CC(CN2CCc3cc(Br)ccc32)=C[C@H]1O 2067764424 AHLFHQLWGAHVGC-TZMCWYRMSA-N 309.207 1.830 10 10 DDCE C[C@H](N)c1ccc(N2CC(CS(C)(=O)=O)C2)c(Cl)c1 2103212201 ZNADWAUSSZRQCA-VIFPVBQESA-N 302.827 1.841 10 10 DDCE CN(C)c1ccc([C@@H](NN)c2cnn(C)c2Br)cc1 2106853679 UNTHCZWUEQSART-GFCCVEGCSA-N 324.226 1.801 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@]23CCC[C@H]2CSC3)cc1 2201967133 PMYURELUGBLSJF-JSGCOSHPSA-N 312.460 1.974 10 10 DDCE CSc1ncc(CNS(=O)(=O)CC(C)(C)CN)s1 2256943593 UCFZOGYOKHTAIQ-UHFFFAOYSA-N 309.482 1.269 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@@H]2CNC[C@H]2C)s1 2269096278 RYQXQLYCMWNDHJ-BDAKNGLRSA-N 321.493 1.140 10 10 DDCE Cc1cc(N2CCSC[C@H]2S(C)(=O)=O)ccc1[C@H](C)N 2285146146 MCRVUXLIJVKYAU-SMDDNHRTSA-N 314.476 1.939 10 10 DDCE COc1cc(/C=C2/SC(S)=NC2=O)ccc1OCC(N)=O 6580978 CNXJLIFAKPFEQS-BJMVGYQFSA-N 324.383 1.459 10 10 DDCE O=C1N[C@H](Cc2ccc(O)c(O)c2)C(=O)N1Cc1ccccc1 303972612 QQKQGUQJNPZAHF-CYBMUJFWSA-N 312.325 1.761 10 10 DDCE CN(Cc1ccco1)S(=O)(=O)CCOc1ccc(N)cc1 70490607 ILSHNLUVAJPMDE-UHFFFAOYSA-N 310.375 1.702 10 10 DDCE CCc1c(C(=O)N(C)Cc2ccccc2O)[nH]c(C)c1C(N)=O 130274651 KBGOVPYBXFVKGT-UHFFFAOYSA-N 315.373 1.962 10 10 DDCE CNS(=O)(=O)c1cc(N)ccc1Sc1nccs1 234456316 KYGDROHVCLRINC-UHFFFAOYSA-N 301.418 1.785 10 10 DDCE CN(C)CC(=O)N1Cc2cc(N(C)C)ccc2[C@H]1c1cnco1 96260746 AEAMCXXDCOFXTG-KRWDZBQOSA-N 314.389 1.734 10 10 DDCE COc1cccc(CNC(=O)C[C@H]2CCOC[C@H]2OC)c1O 295062366 KWJAWQJFUMZYML-BXUZGUMPSA-N 309.362 1.459 10 10 DDCE Cc1cnn(C)c1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 824409320 BCDKTTWGGDUTEM-SNVBAGLBSA-N 304.350 1.892 10 10 DDCE Oc1c(F)cccc1CN1CCC(N2[C@H]3CC[C@H]2CNC3)CC1 903978138 GHHUBWAPLDTODB-HOTGVXAUSA-N 319.424 1.932 10 10 DDCE CCOc1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(O)c1 742391115 DOOKYBNGJUBGQM-LNSITVRQSA-N 304.390 1.890 10 10 DDCE Cc1cc(O)c(CN2CN(CCN(C)C)C(=O)[C@@H]2C)cc1C 843428634 LIVUINZQCZXCNB-AWEZNQCLSA-N 305.422 1.561 10 10 DDCE CC[C@](C)(CO)C(=O)NCc1ccc(N2CCOCC2)cc1 847382061 WSXTWZUEVBDNIC-QGZVFWFLSA-N 306.406 1.548 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)[C@H]2CCO[C@@H](C)C2)c1 849376077 KNPSCIUHGDTVQV-GWCFXTLKSA-N 315.391 1.388 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NCCCn2ccnn2)c1 757654793 CWMUMUPTFMPZIE-LLVKDONJSA-N 304.350 1.511 10 10 DDCE O=C1O[C@H](CN[C@@H]2CCc3cccc(O)c32)CC12CCNCC2 925850606 VHXAPMWKCJKVAK-UONOGXRCSA-N 316.401 1.654 10 10 DDCE C[C@H](NCc1coc(S(N)(=O)=O)c1)c1ccc(N(C)C)cc1 851950380 OBHOVNRFOAPWHP-NSHDSACASA-N 323.418 1.844 10 10 DDCE NC(=O)[C@H]1CCCC[C@@H]1NCc1ccc(N2CCOCC2)cc1 757910672 PIQDBOUYISOMDS-IRXDYDNUSA-N 317.433 1.657 10 10 DDCE CCOCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851973078 YTHGBJVLOIUNHB-ZDUSSCGKSA-N 307.394 1.610 10 10 DDCE COC(=O)NCCCNCc1c(O)cccc1Br 1875639253 SMWYRUDGIHVBMB-UHFFFAOYSA-N 317.183 1.990 10 10 DDCE CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1 866769645 NUGAUQDRCUYXQO-NWDGAFQWSA-N 307.346 1.693 10 10 DDCE C[C@]1(CNC(=O)C(=O)NCCc2ccc(N)cc2)CC1(F)F 1118552674 XHUWBOGQFUDXKH-CQSZACIVSA-N 311.332 1.089 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccnc(N2CCCC2)n1 1303225180 AMFOJJCBZIBGKI-UHFFFAOYSA-N 314.345 1.418 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNCc2ccccc2O)C1 702760609 FAQCJZGTVZNDMA-UKRRQHHQSA-N 322.405 1.710 10 10 DDCE Cc1cc(NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1O 182477157 IFOOEZJWGXPZDE-QWRGUYRKSA-N 300.380 1.467 10 10 DDCE COc1ccc(CNC(=O)c2nc(OC)cc(OC)n2)c(O)c1 1448381767 LPZMDZUJHDGBIN-UHFFFAOYSA-N 319.317 1.138 10 10 DDCE C[C@@H]1C[C@@H](C)CN(C(=O)CCN2C(=O)CSC2=S)C1 1865766254 ZAZNCHBFCYIQCK-NXEZZACHSA-N 300.449 1.741 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cc(CN2CCCC2)on1 1455355276 RYJGSYLNVWPWSR-UHFFFAOYSA-N 317.345 1.612 10 10 DDCE O=C(Cc1n[nH]c2c1CCCC2)NCc1cc(O)ccc1O 1455356033 GMPXIYIRJWVUAW-UHFFFAOYSA-N 301.346 1.559 10 10 DDCE CCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1486625359 IAKOXGKTMSPWBB-VHSXEESVSA-N 319.365 1.882 10 10 DDCE CC[C@@H](CNC(=O)CNC(C)=O)NCc1ccc(OC)c(C)c1 1715054321 YFYAAUDFGCGEKB-HNNXBMFYSA-N 321.421 1.124 10 10 DDCE COc1ccccc1OCC(=O)NCc1cccc(O)c1O 1643810332 ZXBIAGCWXDQXEL-UHFFFAOYSA-N 303.314 1.802 10 10 DDCE Cn1nnc(Br)c1CN1CCC[C@@H](N=[N+]=[N-])C1 1912143604 IJQUCACVFLOSRA-SSDOTTSWSA-N 300.164 1.852 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@@H]2CCO[C@@H]2C)cc1C 1691528169 IBNRBCRBJGWAIM-GDBMZVCRSA-N 320.433 1.977 10 10 DDCE Cn1cnnc1[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1O 156830630 WBKOMMQBTTXMCP-LBPRGKRZSA-N 303.322 1.766 10 10 DDCE CC(=O)N[C@H](C)C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1890322706 SSIKALFPERKIQK-PVUWLOKVSA-N 315.417 1.816 10 10 DDCE Cc1ccc(O)c(CNCCC(=O)N2CCC[C@H]2C(=O)O)c1 1857864497 RGASUZCMGLJAIX-ZDUSSCGKSA-N 306.362 1.256 10 10 DDCE CN[C@@H](c1ccccc1O)[C@@H](O)CCNC(=O)OC(C)(C)C 1920636712 XKOGZACYSRMSBA-KBPBESRZSA-N 310.394 1.928 10 10 DDCE COCCS(=O)(=O)CCNCc1cccc(Cl)c1O 2139803925 QLVMDSFLYXIYEB-UHFFFAOYSA-N 307.799 1.196 10 10 DDCE CCOC(=O)CCS(=O)(=O)Nc1cc(C)c(O)cc1C 233668573 QMGXAAJPJGKPKX-UHFFFAOYSA-N 301.364 1.704 10 10 DDCE COC[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)C(C)C 2143870926 OXQNWORHJSYCRJ-CYBMUJFWSA-N 300.424 1.607 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(Cc2ccc(N)cc2)C1 1980081923 SNZOBPYPPOIXDL-GJZGRUSLSA-N 321.421 1.729 10 10 DDCE NCc1ccc(N2CCN(CCF)CC2)c(Br)c1 402503832 AZPYNLKSEAPHFT-UHFFFAOYSA-N 316.218 1.999 10 10 DDCE O=C(CNCc1cccc(Br)c1O)NCC(F)F 393704167 GWYKHMYHAXVTCR-UHFFFAOYSA-N 323.137 1.626 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2C[C@H](OC)[C@H](O)C2)c1O 2187372460 HOWPFISWEUTFCR-UTUOFQBUSA-N 301.770 1.682 10 10 DDCE C[C@H](N)c1ccc(N2CC(CS(C)(=O)=O)C2)cc1Cl 2103211430 VMHCQZBOHQPFGO-VIFPVBQESA-N 302.827 1.841 10 10 DDCE O=S1(=O)CC[C@@H]2CN(Cc3cccc(Cl)c3O)C[C@H]21 2088815953 UWXZOHKMFDUNRR-BXKDBHETSA-N 301.795 1.665 10 10 DDCE CSc1ncc(CNC(=O)[C@H](CN)C2CCOCC2)s1 2284499265 MLGMWVRXRQYJNZ-LLVKDONJSA-N 315.464 1.483 10 10 DDCE CO[C@@H]1[C@@H](O)C[C@@H]1NCc1ccc(Br)cc1O 2249792825 DIHSLTGPXOCJPC-DLOVCJGASA-N 302.168 1.393 10 10 DDCE Nc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 2283000285 UPOWAHYMYZECSK-UHFFFAOYSA-N 309.313 1.240 10 10 DDCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3C)C2=O)cc1 2297327140 IWZPQCYLCNLDED-UHFFFAOYSA-N 309.325 2.000 10 10 DDCE CN1C(=O)C(=Cc2ccccc2OCC(N)=O)SC1=S 2297352057 RPHOWHQWJDKTNZ-UHFFFAOYSA-N 308.384 1.382 10 10 DDCE COc1ncc(/C=C\C(=O)N(C)c2cccnc2N(C)C)cn1 492718695 VBKYWCZIFHLIMJ-FPLPWBNLSA-N 313.361 1.622 10 10 DDCE CC(=O)N(C(=O)C(=O)Nc1cc(C)ccn1)c1ccc(N)cc1 170319071 HYRFCDHLSXGZBC-UHFFFAOYSA-N 312.329 1.490 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccnnc1 130595666 IBBVYCRPNPZGII-UHFFFAOYSA-N 316.336 1.382 10 10 DDCE CC(=O)Nc1cccc(NC(=O)CN2C(=O)CSC2=S)c1 82333987 XAQYYCPXGAYGAI-UHFFFAOYSA-N 323.399 1.444 10 10 DDCE CCOC(=O)CNCc1ccc(N2CCC(CO)CC2)cc1 194265240 MYZHRJIKQWHEOO-UHFFFAOYSA-N 306.406 1.548 10 10 DDCE COc1cc(CNC(=O)Cc2ccc(O)c(O)c2)ccc1O 197358121 FXEDMELRWWCHJO-UHFFFAOYSA-N 303.314 1.671 10 10 DDCE CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CCN2CCO[C@H]1C2 295156174 RPRZVCDNNKSLAE-WBMJQRKESA-N 306.362 1.026 10 10 DDCE COc1cccc(O)c1CN1CCN(CC(F)(F)F)C(=O)C1 809711052 IHEVZLLDRWBOMM-UHFFFAOYSA-N 318.295 1.607 10 10 DDCE O=S1(=O)[C@H]2CC[C@H]1CN(c1ccc(CO)c(Cl)c1)CC2 708840923 YEKGKOKCELKARQ-STQMWFEESA-N 315.822 1.988 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccccc1COC1CCOCC1 808527934 RIYCNAOHGWSJBG-UHFFFAOYSA-N 320.341 1.697 10 10 DDCE C[C@H](NC(=O)[C@@H]1CCCN(C)C1=O)c1ccc(N(C)C)cc1 828860286 AKDQPBZFSRSTJE-WFASDCNBSA-N 303.406 1.798 10 10 DDCE CC(C)(C)N1CCC[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1=O 901131326 IPYYDLXRCVCFGZ-LBPRGKRZSA-N 320.389 1.751 10 10 DDCE C[C@H]1CN([C@H](C)CNC(=O)Cc2ccc(N)cc2)C[C@@H](C)O1 848431285 HZRPFCRCXSENKV-MCIONIFRSA-N 305.422 1.425 10 10 DDCE CCN1OC[C@@H](N[C@H](C)c2ccc(N3CCOCC3)cc2)C1=O 851897882 RXDMNFCEQMDFGJ-CZUORRHYSA-N 319.405 1.336 10 10 DDCE COC(=O)c1cnc(CN[C@@H](C)c2cc(OC)ccc2O)cn1 859232971 OVCWHJUGZUNVCM-JTQLQIEISA-N 317.345 1.828 10 10 DDCE CCc1cc(CC(=O)NCc2ccc(N(C)C)cc2)n(C)n1 929402907 FMAIVMNXXHOPTG-UHFFFAOYSA-N 300.406 1.907 10 10 DDCE COC[C@@H](OC)C(=O)NCc1cc(Br)ccc1O 854442247 LONWHWWAYLSEKE-LLVKDONJSA-N 318.167 1.432 10 10 DDCE C[C@@H]1CC[C@@H](NCc2cc3c(cc2O)OCO3)CS1(=O)=O 850368037 HRIXLNMDMGKJQU-MWLCHTKSSA-N 313.375 1.176 10 10 DDCE COC(=O)C[C@](C)(NC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 871235181 PMLCKXXYDLRGSE-LYLYKKCESA-N 319.357 1.959 10 10 DDCE CC1CCN(c2ccc(CNC(=O)c3nnn(C)n3)cc2)CC1 878779264 WZNYDYMSVCZXFN-UHFFFAOYSA-N 314.393 1.376 10 10 DDCE Cc1cc(Br)c(O)c(CN[C@H]2CCCNC2=O)c1 781631314 PJOZYCMXEANNTC-NSHDSACASA-N 313.195 1.831 10 10 DDCE COc1ccccc1[C@H](O)CNC(=O)c1ccc(C)c(O)c1O 780969958 VTTZROZVIAGGNN-CYBMUJFWSA-N 317.341 1.878 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1C[C@H](O)[C@H](O)C1 1303828177 JGSAUFASQVHNBX-UBSAEIQESA-N 320.414 1.770 10 10 DDCE CC(C)(C)n1cc(C(=O)C(=O)NCc2ccc(O)cc2O)cn1 1162277669 AXNSWVIPVVUUDI-UHFFFAOYSA-N 317.345 1.548 10 10 DDCE C[C@](NCCN=[N+]=[N-])(C(N)=O)c1ccc(Br)cn1 695239840 YUCLMXLRLCUTNZ-SNVBAGLBSA-N 313.159 1.445 10 10 DDCE C[C@@H](O)c1ncc(C(=O)NCCc2ccc(O)c(O)c2)s1 1445939552 SMICPFLVPRNJDW-MRVPVSSYSA-N 308.359 1.580 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@]1([C@H]2CCCCO2)CCCO1 1521666669 MUIKVOHJBBQMOO-NVXWUHKLSA-N 321.373 1.832 10 10 DDCE C[C@H](NCc1cn(C)nn1)c1ccc(N2CCOCC2)cc1 1459864734 CDQZSWHYPJAITC-ZDUSSCGKSA-N 301.394 1.503 10 10 DDCE COc1cccc(CNC(=O)c2c(C)nc(N)nc2C)c1O 1465992170 IKGWPWJDIPXOIO-UHFFFAOYSA-N 302.334 1.320 10 10 DDCE CN(C)C(=O)/C=C\C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 1625319081 TZUPCZUMMNLTGF-QXMHVHEDSA-N 315.417 1.888 10 10 DDCE CCNC(=O)c1ccc(OC(=O)Cc2ccc(O)c(O)c2)cc1 1633636861 DIQIQEVTWIAFNE-UHFFFAOYSA-N 315.325 1.996 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1cn(C2CCC2)nn1 1644175616 UBEHWBIHEWJTHT-ALCCZGGFSA-N 314.345 1.744 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)cn1 1643879577 WDRNWVCHUKBQDF-UHFFFAOYSA-N 302.286 1.209 10 10 DDCE CSc1nnc(CNC(=O)c2c(F)ccc(O)c2O)s1 1654502520 OIPMBTPHFGGRBG-UHFFFAOYSA-N 315.351 1.740 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ncn(-c2ccccc2)n1 1652625742 KYVKBHVQKKUNGU-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE Cn1ncc(C(=O)NCc2c(O)cccc2F)c1-n1cccc1 1596911395 FUHWSBUTBIBKEN-UHFFFAOYSA-N 314.320 1.986 10 10 DDCE CS(=O)(=O)CC1(CCNCc2c(O)cccc2F)CC1 1965988613 JDOXOOAZJCSCQL-UHFFFAOYSA-N 301.383 1.836 10 10 DDCE COCCN(CCO)c1c(F)cc(CNC2CC2)cc1F 164430864 QSECBLWLASBUPB-UHFFFAOYSA-N 300.349 1.662 10 10 DDCE CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(N)cc1 1866119151 RODLJBHCGRSSST-MRXNPFEDSA-N 313.357 1.660 10 10 DDCE O=C1CN[C@@H](c2cc(I)ccc2O)C1 1951965088 FBKLQPQOJWRFHD-SECBINFHSA-N 303.099 1.600 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C2C[C@H]3[C@@H](C2)C13C(=O)NCCN=[N+]=[N-] 1986693113 CFEBWGPMBIYLGQ-FSELMYKTSA-N 321.381 1.962 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H]2C[C@H]2C(F)(F)F)cc1 2159790380 MVXJJJAEDRLUIZ-MWLCHTKSSA-N 308.325 1.887 10 10 DDCE CCC(CC)(CNS(=O)(=O)Cc1ccc(N)cc1)OC 312817744 SRVUPQUQGVXCII-UHFFFAOYSA-N 300.424 1.893 10 10 DDCE COC(=O)Cc1cc(O)n2nc(C3CCC3)c(C(=O)O)c2n1 2080930520 QMZGWRBCNUIWME-UHFFFAOYSA-N 305.290 1.116 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cccc(O)c2O)CO1 1158061355 WWGFNWXCMPDFNX-VIFPVBQESA-N 324.333 1.379 10 10 DDCE OCc1ccc(N2CCC[C@@H]2[C@H](O)CO)cc1Br 2059216397 HZZSOKKYRGHLBO-CHWSQXEVSA-N 316.195 1.263 10 10 DDCE NCc1ccc(N2C[C@@H]3[C@H](C(N)=O)[C@@H]3C2)cc1Br 2081460966 WFDHSTDGGSQCLS-PEGIJTEDSA-N 310.195 1.075 10 10 DDCE Nc1cc2c(cc1N1CCC[C@H](C3OCCO3)C1)OCCO2 2089606773 OEZBKKIMGOXJIN-NSHDSACASA-N 306.362 1.629 10 10 DDCE CC(C)(C)OC(=O)NC1(COc2nnc(=N)[nH]n2)CCCCC1 2210657984 RHHDQADOVYOAAA-UHFFFAOYSA-N 324.385 1.286 10 10 DDCE [N-]=[N+]=N[C@@H]1CCC[C@@H]1NC(=O)CS[C@H]1CCS(=O)(=O)C1 2234177033 PITOJQBWGUXBNG-LPEHRKFASA-N 318.424 1.254 10 10 DDCE CS(=O)(=O)[C@H]1C[C@H](C(=O)N2CCC(CN=[N+]=[N-])CC2)C1 2285382886 FWTSMZXTCJAUPL-XYPYZODXSA-N 300.384 1.359 10 10 DDCE CS(=O)(=O)[C@@H](C(=O)N1CCC[C@H](CN=[N+]=[N-])C1)C1CC1 2361143755 XYCADUCLCSLBKV-MWLCHTKSSA-N 300.384 1.359 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)Cn1nnnc1C(C)C 175336454 YPSIOJUKODUOLL-UHFFFAOYSA-N 317.393 1.941 10 10 DDCE NCc1ccc(N2CCN(c3nncs3)CC2)cc1Cl 2362034576 OHJXMPZNRBKENA-UHFFFAOYSA-N 309.826 1.977 10 10 DDCE COc1ccc(CN[C@H](C)CCN2CCN(C)CC2)c(O)c1 185869478 AZXKHIJUMAOIOU-CQSZACIVSA-N 307.438 1.516 10 10 DDCE CCN1CCC[C@H]1CNC(=O)NCc1cc(OC)ccc1O 74261873 SCNMGSODKWBIIW-ZDUSSCGKSA-N 307.394 1.684 10 10 DDCE Cc1cccc(O)c1CN1CC[C@@H](S(=O)(=O)C(F)F)C1 2368714687 ORULWPSUFOWLTF-SNVBAGLBSA-N 305.346 1.912 10 10 DDCE Nc1ccc(CN2CCOCCOCCOCCOCC2)cc1 90599359 JNWVSGZOLFRQAS-UHFFFAOYSA-N 324.421 1.151 10 10 DDCE CCOC(=O)CCNC(=S)N(C(C)=O)c1ccc(N)cc1 244039471 SXTJFOWIPJOQPV-UHFFFAOYSA-N 309.391 1.449 10 10 DDCE Oc1ccc(Cl)c(F)c1CN1CCN2CCOC[C@@H]2C1 366787145 FKDOQAPESQCMJF-JTQLQIEISA-N 300.761 1.701 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(C)nc1Br 808531160 LNYRYUGTIKEYBP-UHFFFAOYSA-N 300.108 1.467 10 10 DDCE C[C@@H]1CN(CCO)CCN1Cc1cc(Cl)c(F)cc1O 825338605 QZLJOZMZEIQPQF-SNVBAGLBSA-N 302.777 1.683 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CN(C)C(=O)N1 824241057 SGTVRUBGYFAPII-AWEZNQCLSA-N 304.394 1.125 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCCO3)C2)cc1 849225503 VQWVSAXVSIHELC-BBRMVZONSA-N 319.405 1.752 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCn3nncc3C2)cc1 847276634 MHAPEWVCVJWAKZ-UHFFFAOYSA-N 300.366 1.070 10 10 DDCE Cn1nccc1C(NCc1ccc2c(c1)CCO2)c1ccnn1C 858321553 JDPTWEBGSPWHGX-UHFFFAOYSA-N 323.400 1.968 10 10 DDCE Cc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)c(O)c1O 854643454 YGQITTVNTIETBD-KGLIPLIRSA-N 320.389 1.341 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCC(=O)N3)C2)cc1 855231636 XHVDDHVJCHOTGZ-STQMWFEESA-N 317.389 1.059 10 10 DDCE COC[C@H](CCN[C@@H](C)c1cc(C(=O)OC)ccc1O)OC 850485444 IFAYZTIRAAYUIV-AAEUAGOBSA-N 311.378 1.881 10 10 DDCE Cc1cc(C(=O)O[C@H]2CC(=O)N(C)C2)c(C)n1-c1ccccn1 764735766 BPFFMXMSZHXYBK-ZDUSSCGKSA-N 313.357 1.877 10 10 DDCE COC(=O)[C@@]1(O)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 895706046 CIPWZYJABOWFEA-CYBMUJFWSA-N 320.172 1.809 10 10 DDCE O=C(CNC(=O)Cc1ccccc1)NCc1ccc(O)cc1O 1142530725 SJGXOICMLCYHAI-UHFFFAOYSA-N 314.341 1.073 10 10 DDCE CCOC(=O)c1cc(C(=O)NCc2ccc(O)cc2O)[nH]c1C 1142533120 DKLDAHMOVJHZFV-UHFFFAOYSA-N 318.329 1.841 10 10 DDCE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1963809637 UBFNSKXWWBANFN-SECBINFHSA-N 301.347 1.343 10 10 DDCE COC(=O)c1cncc(N[C@H](C)Cc2ccc(O)c(O)c2)n1 1163031332 OWQGLPLAQNOLSH-SECBINFHSA-N 303.318 1.718 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)NCC2CCC(F)CC2)cc1 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2307986789 BTBMNPIWKJSGHK-CQSZACIVSA-N 302.374 1.808 10 10 DDCE C[C@@H](NC(=O)C=Cc1ccc(O)c(O)c1)c1nnnn1C1CC1 2311697800 OQLHZEJNCVMWAC-SECBINFHSA-N 315.333 1.310 10 10 DDCE C[C@H](O)[C@@H](C(=O)O)N1C(=O)C(=Cc2ccc[nH]2)SC1=S 2323823386 BNGIIMOYESAZRE-RCOVLWMOSA-N 312.372 1.050 10 10 DDCE COC[C@@H](NCc1ccc(C)c(Br)c1O)C(N)=O 2327792715 NEUARSKKWMDTFF-SECBINFHSA-N 317.183 1.053 10 10 DDCE COc1cc(Cl)c(N(C)C[C@@H]2COCCN2)c(OC)c1 2368288163 OIFLTTVEZYWGSZ-SNVBAGLBSA-N 300.786 1.782 10 10 DDCE CCNCc1ccc(N2C[C@@H](O)[C@H](O)C2)c(Br)c1 233545427 YWIOUZDTUKDUFJ-CHWSQXEVSA-N 315.211 1.100 10 10 DDCE C[C@@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1cc(F)ccc1O 368211079 BTBULRYRJPHUNS-IAQYHMDHSA-N 322.380 1.962 10 10 DDCE COC[C@@H](CN[C@H](C)c1ccc(N2CCOCC2)cc1)OC 272642438 CXQNUKQYOBHWKC-RHSMWYFYSA-N 308.422 1.835 10 10 DDCE C[C@@H]1CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CC[C@H]1C 846246186 DTIMWKXCNMSALD-NXEZZACHSA-N 304.350 1.611 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CC(C)(C)C(=O)O)C2)cc1 849183441 RGVIKYXWQRRJOF-GFCCVEGCSA-N 320.389 1.891 10 10 DDCE CCN(CC(=O)NC)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 747621290 OHRUCTRCCDCADD-VURMDHGXSA-N 321.333 1.353 10 10 DDCE CCCN(CCN1C(=O)CN(C)C1=O)Cc1ccccc1O 851791469 BCVTUQFCSUSMNH-UHFFFAOYSA-N 305.378 1.498 10 10 DDCE CN(C)c1ccc(CNS(=O)(=O)[C@H]2CCCNC2)cc1F 923601989 BPNIGUPAHWHNFD-LBPRGKRZSA-N 315.414 1.063 10 10 DDCE C[C@H](N[C@H]1CCNC1=O)c1ccc(N2CCOCC2)c(F)c1 850480486 BRUXIOXXIPSLEJ-FZMZJTMJSA-N 307.369 1.201 10 10 DDCE COc1ccc(O)c([C@H](C)NCc2nnnn2C(C)(C)C)c1 766852408 LXZUCBMDUADQMA-JTQLQIEISA-N 305.382 1.993 10 10 DDCE Cc1ccc(O)c(CNC(=O)CO[C@@H](C)c2nccn2C)c1 862756538 ZUTYESLPIREISU-LBPRGKRZSA-N 303.362 1.828 10 10 DDCE CC1(C)CN(Cc2ccc(F)c(F)c2O)CCS1(=O)=O 876774356 SNKMWWUYBGJZDJ-UHFFFAOYSA-N 305.346 1.679 10 10 DDCE Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](O)[C@@H](C)O)cc1 871122908 PJPPMJNKBSBQMX-CJNGLKHVSA-N 302.374 1.566 10 10 DDCE O=C([C@@H]1COCCN1CC(F)F)N1Cc2cccc(O)c2C1 871205036 UCEIMUWEJLKAJP-LBPRGKRZSA-N 312.316 1.200 10 10 DDCE CN1CCCc2cc(CNC(=O)N3C[C@H]4C[C@]4(CO)C3)ccc21 782952803 DGODDMPIOVQOJO-CRAIPNDOSA-N 315.417 1.593 10 10 DDCE COC(=O)c1c(CN(C)CC(N)=O)c2cc(F)ccc2n1C 893925111 PIHKTWYSQMKNIY-UHFFFAOYSA-N 307.325 1.021 10 10 DDCE Cc1cc(OCC(=O)NCc2ccc3cccnc3c2O)no1 1142728023 LBDPIWYLRUMEMR-UHFFFAOYSA-N 313.313 1.932 10 10 DDCE Cc1cc(C=O)c(O)c(C(=O)NCc2c(O)cccc2O)c1 1304053120 DBGNBAODTRPRGY-UHFFFAOYSA-N 301.298 1.854 10 10 DDCE Cn1cc([N+](=O)[O-])c(C(=O)NCc2cc(Cl)ccc2O)n1 1165508945 ZOJSVFXSXSMCTD-UHFFFAOYSA-N 310.697 1.617 10 10 DDCE O=C(NC[C@@H](CO)Cc1ccccc1)c1c(F)ccc(O)c1O 1160999034 ZZTDNYYAWLZBJG-LBPRGKRZSA-N 319.332 1.818 10 10 DDCE COC1=C(C(=O)O)NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 76260246 JOYBRHXKUUWSNC-SNVBAGLBSA-N 307.375 1.214 10 10 DDCE CN1CCc2cc([C@@H](NC(=O)OC(C)(C)C)C(N)=O)ccc21 698402384 ZOZYYPVTUOYTCL-CYBMUJFWSA-N 305.378 1.730 10 10 DDCE COc1cc(C(=O)N[C@H](C)CN(C)C(=O)C2CC2)cc(OC)n1 1287550408 MMMWYSCQNBTCBU-SNVBAGLBSA-N 321.377 1.086 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc2c[nH]nc2c1 1611430691 GEVXOUAQXNWEHJ-VIFPVBQESA-N 312.329 1.730 10 10 DDCE CNC(=O)Cc1ccccc1NC(=O)c1cccc(O)c1O 1624450284 YYMMYSOCCHMCKK-UHFFFAOYSA-N 300.314 1.639 10 10 DDCE COc1ccc(OCC(=O)NCc2ccc(O)cc2O)cc1 1638348339 XGBQXVPBFKTOQE-UHFFFAOYSA-N 303.314 1.802 10 10 DDCE CN(Cc1ncc(Cl)n1C)C(=O)Cc1ccc(O)c(O)c1 1566855779 NUVPAYUUSJQYHW-UHFFFAOYSA-N 309.753 1.686 10 10 DDCE COC(=O)c1ncoc1CCC(=O)N[C@H](C)c1ccccc1O 1642827870 TZYLFAHGLRVJBR-SNVBAGLBSA-N 318.329 1.977 10 10 DDCE COc1ncnc(OC)c1C(=O)NCc1cccc(Cl)c1O 1640402519 UNZXKSPZTFCRDF-UHFFFAOYSA-N 323.736 1.783 10 10 DDCE COc1cc(C(=O)NCc2cc(O)ccc2O)cc(OC)c1O 1643882408 VQWWZLNGMTWSNS-UHFFFAOYSA-N 319.313 1.751 10 10 DDCE CN(C)C(=O)N1CCC(C(=O)NCc2c(O)cccc2O)CC1 1597569795 TWYHEPDNXSRSLL-UHFFFAOYSA-N 321.377 1.108 10 10 DDCE CN1C(=O)/C(=C\c2cccc(OCC(=O)O)c2)SC1=S 16905261 KHCFMBHOFLLUPH-UXBLZVDNSA-N 309.368 1.981 10 10 DDCE CCOC(=O)N1CCC(NC(=O)c2cc(O)c(O)c(O)c2)CC1 169881962 CPLIUYIEJVQJGU-UHFFFAOYSA-N 324.333 1.154 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4COC[C@@H]43)c(Br)cc21 2129807456 FEQPRANZBHSDAI-QNRPFLCFSA-N 324.178 1.236 10 10 DDCE COC[C@](C)(CO)CNCc1c(O)cccc1Br 1926960277 RXGPCQXNKRBFMT-ZDUSSCGKSA-N 318.211 1.889 10 10 DDCE CCCN(c1ccc(N)cc1)S(=O)(=O)NC(=O)OCC 162784588 JBVYKELJEREMFL-UHFFFAOYSA-N 301.368 1.476 10 10 DDCE CNCc1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl 2151285297 ILPWPZQHCLBONR-BXUZGUMPSA-N 314.838 1.683 10 10 DDCE CO[C@H]1CN(C)C[C@H]1NCc1c(O)cccc1Br 2034335887 PFHHYFJAAPDNIB-YPMHNXCESA-N 315.211 1.573 10 10 DDCE C[C@H](O)c1ccc(N2CC(OCCO)C2)cc1Br 2034842495 MRGGIXPDHROTKV-VIFPVBQESA-N 316.195 1.700 10 10 DDCE Cc1cc(NS(=O)(=O)N2CCC(CO)CC2)ccc1O 2157772534 LSAWUFQMMDLGCW-UHFFFAOYSA-N 300.380 1.062 10 10 DDCE CN(c1cc(Br)c(CN)cc1F)[C@H]1COC[C@@H]1O 709427294 XMLCKRYOQVTJQE-RYUDHWBXSA-N 319.174 1.243 10 10 DDCE CC1(C)CO[C@H](CO)CN1c1cc(Cl)c(CN)cc1F 2177390073 WQTCLTKCSXFECI-JTQLQIEISA-N 302.777 1.914 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCOC[C@H]1N1CCCC1 2065051088 ZVRNIILYMNOHAT-UONOGXRCSA-N 320.389 1.010 10 10 DDCE NCc1ccc(N2CCO[C@H](CCO)C2)cc1Br 2052687285 KIHADMFQBSFXJO-GFCCVEGCSA-N 315.211 1.495 10 10 DDCE N[C@@H]1CCN(Cc2cc(Br)ccc2O)C[C@@H]1CO 2058552772 SBEUJTOFGRFQNQ-ZYHUDNBSSA-N 315.211 1.296 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1CCC[C@@H](O)[C@H]1O 2212869290 UQVFCRNUMMZOBF-FOGDFJRCSA-N 301.184 1.718 10 10 DDCE COCCOCCOCCSc1ncc(C(=O)O)s1 2231732207 YCLFKWHTQBCHNH-UHFFFAOYSA-N 307.393 1.613 10 10 DDCE Cc1nc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cs1 2236167861 KTACBGCZILZNBI-UHFFFAOYSA-N 315.332 1.866 10 10 DDCE COC(=O)[C@H]1CC[C@H](CNCc2cnc(SC)s2)O1 2269123143 GGPZMOKZXVHKQP-PSASIEDQSA-N 302.421 1.675 10 10 DDCE CSc1ncc(CN2C(=O)NC(=O)[C@@H](C3CC3)C2=O)s1 2284665243 KOVSPPDGRKKBMF-MRVPVSSYSA-N 311.388 1.470 10 10 DDCE Cc1cccc(N2C(=O)NC(=O)C(=Cc3cccn3C)C2=O)c1 2296668916 QMBHGWXHBCGHKC-UHFFFAOYSA-N 309.325 2.000 10 10 DDCE CN1C(=O)C(=C2C(=O)Nc3ccc(C(=O)O)cc32)SC1=S 2297578078 JJSBRWJQXLTREJ-UHFFFAOYSA-N 320.351 1.538 10 10 DDCE NC(=O)c1ccc(F)c(NC(=O)C=Cc2ccc(O)c(O)c2)c1 2307990364 LMHAWARACYIYOE-UHFFFAOYSA-N 316.288 1.988 10 10 DDCE Cc1ccc(CN(CCO)C2COC2)c(O)c1Br 2327621404 MZHZPFQAAWVUKY-UHFFFAOYSA-N 316.195 1.656 10 10 DDCE CCN(CCS(C)(=O)=O)c1ccc(CN)c(SC)c1 2353856116 WNBIPWIEXJOKRU-UHFFFAOYSA-N 302.465 1.738 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2C[C@@H](O)[C@H](OC)C2)c1O 2356338712 HOWPFISWEUTFCR-QJPTWQEYSA-N 301.770 1.682 10 10 DDCE Cc1ncc(S(=O)(=O)NCc2ccccc2O)cc1C#N 313978380 LQRQJRSBUSUUDY-UHFFFAOYSA-N 303.343 1.446 10 10 DDCE CC(C)N1CC[C@@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1 40621117 FAKPRXYSHKHKJK-AWEZNQCLSA-N 311.451 1.419 10 10 DDCE CC(=O)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 808010159 NCJGHQHEKMTEGR-UHFFFAOYSA-N 310.766 1.563 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cnn(C)n1 805995373 BEVGTNOEIKYSQU-UHFFFAOYSA-N 302.382 1.223 10 10 DDCE CCOc1ccc(O)c(CN2CC[C@H](Cn3ccnn3)C2)c1 826846580 WLQLXSIRYGLFRR-ZDUSSCGKSA-N 302.378 1.905 10 10 DDCE CC[C@H](NC(=O)/C=C\c1ccc(N2CCOCC2)cc1)C(=O)O 588592436 VQYXSGVXGSSGSZ-KKTNHOPESA-N 318.373 1.516 10 10 DDCE CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C)c1ccccc1O 827969918 UZYYZDSAKICIND-GWCFXTLKSA-N 314.407 1.143 10 10 DDCE CC(C)(O)[C@H](O)C(=O)NCc1cc(Cl)cc(Cl)c1O 908210817 DVDYWOOQAOHPMW-SNVBAGLBSA-N 308.161 1.447 10 10 DDCE CN(C)c1ccc2c(c1)CN(C(=O)c1ccn(C)n1)CCO2 581789892 XDOTZHYUFVWTIG-UHFFFAOYSA-N 300.362 1.521 10 10 DDCE Nc1ccc(NC(=O)N2CCn3c(CC4CC4)nnc3C2)cc1 846311783 YZBHLOROBWUURO-UHFFFAOYSA-N 312.377 1.861 10 10 DDCE C[C@H]1CNCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 841833075 ZFIMEOSKOXXDIK-WMLDXEAASA-N 314.433 1.860 10 10 DDCE O=S(=O)(CC[C@H]1CCCCO1)NCc1c(O)cccc1F 921451434 PRZQEOVSROIIMB-LLVKDONJSA-N 317.382 1.910 10 10 DDCE COc1ccc(N2CCN(Cc3cncc(OC)n3)CC2)cc1 859056548 YYCIGWADBVNUEJ-UHFFFAOYSA-N 314.389 1.816 10 10 DDCE CN(C)c1cc(F)c(CN2CCC(CO)(CO)C2)cc1F 862419304 QBVIMKHYRXHJNJ-UHFFFAOYSA-N 300.349 1.208 10 10 DDCE CCN1CCN(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 775411129 OTUOHDVICKZQLA-OAHLLOKOSA-N 318.465 1.567 10 10 DDCE COC(=O)c1c(CN(C)CCCO)c2cc(F)ccc2n1C 894661164 BMQKDLIDYBSJQH-UHFFFAOYSA-N 308.353 1.918 10 10 DDCE CCCN(CC(=O)NC)C(=O)c1cc2cc(O)c(O)cc2s1 895813888 JFFMGMAKTVLBIH-UHFFFAOYSA-N 322.386 1.911 10 10 DDCE O=C(NCCN1CCOCC1)c1cc2cc(O)c(O)cc2s1 895481396 KCDDFESGEQUXME-UHFFFAOYSA-N 322.386 1.375 10 10 DDCE Cc1cccc(CNS(=O)(=O)c2cnc(Cl)nc2)c1O 1185069065 JTTFZYJIDOLCNU-UHFFFAOYSA-N 313.766 1.623 10 10 DDCE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCN=[N+]=[N-] 1885562864 LTLMRGLOPSIMAB-RKDXNWHRSA-N 301.347 1.029 10 10 DDCE COC(=O)C1(C(=O)NCc2cc(O)ccc2O)CC2(CCC2)C1 1303225402 HNXGKZCZGDUHJD-UHFFFAOYSA-N 319.357 1.838 10 10 DDCE CCN(CCN=[N+]=[N-])C[C@H](O)CN1C(=O)c2ccccc2C1=O 1887717671 MZDOJASASFHYCP-NSHDSACASA-N 317.349 1.276 10 10 DDCE COCCN[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1317291766 YCNUQWDELZTUMX-JTQLQIEISA-N 307.354 1.203 10 10 DDCE CCNCc1ccc(N2CC(NS(C)(=O)=O)C2)cc1Cl 703167001 KMUVEUTZOXXICB-UHFFFAOYSA-N 317.842 1.187 10 10 DDCE C[C@](O)(CNC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F 1466151921 WURMNMMPNFWDIR-NSHDSACASA-N 318.255 1.892 10 10 DDCE Cc1ccc(C(=O)N2CCOc3ncccc3C2)c(O)c1O 1633528660 BSEZHGNQWKXOEO-UHFFFAOYSA-N 300.314 1.836 10 10 DDCE O=C(CNC(=O)CC1CCCC1)NCc1c(O)cccc1O 1635847681 RQIQAJHMMJRJJJ-UHFFFAOYSA-N 306.362 1.411 10 10 DDCE O=C1COc2cccc(C(=O)NCc3cc(O)ccc3O)c2N1 1643881852 IBYJWJBIUVTJCO-UHFFFAOYSA-N 314.297 1.359 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cnc3c(c2)NC(=O)CO3)c1 1640796999 VKMWMMYMSDRTCA-UHFFFAOYSA-N 313.313 1.357 10 10 DDCE CC(=O)NC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1578108668 DTXUDZNPRQSZBB-ZDUSSCGKSA-N 317.349 1.494 10 10 DDCE C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2cc(O)ccc2O)C1 1651225404 IAKJWDIFZUNFSI-ZANVPECISA-N 301.346 1.803 10 10 DDCE COC(=O)C1CCN(C(=O)[C@H](C)Oc2ccc(N)cc2)CC1 1860082058 IRIUPJHDKPHRRR-NSHDSACASA-N 306.362 1.448 10 10 DDCE O=C(Nc1c(O)cccc1[N+](=O)[O-])c1cc(O)c(O)c(O)c1 1865876608 WASMZQYPJXFSDC-UHFFFAOYSA-N 306.230 1.670 10 10 DDCE CC(=O)CC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 1865994623 XXGBVRHKGXZPLW-INIZCTEOSA-N 314.389 1.671 10 10 DDCE CCN(CCC(=O)O)C(=O)CNCc1ccc(N(C)C)cc1 1857865613 VHEZAVQDNWISNJ-UHFFFAOYSA-N 307.394 1.165 10 10 DDCE Cc1cc(OCc2ccc(N)cc2)cc(=O)n1CCN(C)C 1857923415 ZPVALKPEHALBLJ-UHFFFAOYSA-N 301.390 1.880 10 10 DDCE COc1nnc(NS(=O)(=O)Cc2ccc(N)cc2)s1 1905861050 INMCALXBJCZSNM-UHFFFAOYSA-N 300.365 1.071 10 10 DDCE CN([C@H]1CCN(Cc2cc(Cl)ccc2O)C1)S(C)(=O)=O 2146950275 DHDIKMMQFSCTRD-LBPRGKRZSA-N 318.826 1.511 10 10 DDCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1ccncc1Br 703784010 VALQHGBVLGRQHF-SECBINFHSA-N 313.159 1.661 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@@H]3[C@H]3CCCO3)c2n1 2064898041 CKRAZVUOWCXYHZ-CHWSQXEVSA-N 316.361 1.527 10 10 DDCE COc1ccc(O)c(Cn2ncc(C(=O)NC3CC3)c2O)c1 2070499453 LOGMINUBKJNBSO-UHFFFAOYSA-N 303.318 1.243 10 10 DDCE CCCN[C@@H](c1ccccc1O)[C@@](C)(O)CS(C)(=O)=O 2170425322 PYEJDFLGDWUIIZ-KBPBESRZSA-N 301.408 1.229 10 10 DDCE CCN(c1ccc(CN)c(Br)c1)[C@@H]1CCNC1=O 2051531865 SAJVSHKIKVPZES-GFCCVEGCSA-N 312.211 1.623 10 10 DDCE O=C1N[C@@H]2CN(c3ccc(CO)c(Br)c3)C[C@H]2O1 2056811228 GILJDJYZTOOCQR-GHMZBOCLSA-N 313.151 1.238 10 10 DDCE CC1([C@@H]2CCCCN2C(=O)c2ccc(O)c(O)c2)OCCO1 2089565099 IXPMPYBAUUCLNH-AWEZNQCLSA-N 307.346 1.856 10 10 DDCE C[C@H](N)c1ccc(N2CC(=O)N[C@H]3CC[C@H]32)cc1Br 2112059439 YBMHDUFTIZFIBG-AQUOVQTQSA-N 324.222 1.936 10 10 DDCE COc1ccc(N(C)CC(C)(C)S(C)(=O)=O)c(CO)c1 2236001410 FYNMOMSOPJDFAZ-UHFFFAOYSA-N 301.408 1.447 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@H]2[C@H](O)CO)cc1Br 2258342679 BDLRDJBDSCJYAR-OXHMUOHRSA-N 315.211 1.401 10 10 DDCE COC(=O)CCCS(=O)(=O)NCc1cnc(SC)s1 2269124589 PGDJXLGVARVCCV-UHFFFAOYSA-N 324.449 1.238 10 10 DDCE Cc1ccc(CNC(=O)C(C)(C)O)c(O)c1Br 2307465240 DMMRTHOIIAWICO-UHFFFAOYSA-N 302.168 1.850 10 10 DDCE COC[C@@](C)(CO)NCc1ccc(C)c(Br)c1O 2327630591 KSSVQTYGLQELIO-CYBMUJFWSA-N 318.211 1.950 10 10 DDCE CNCc1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(Cl)c1 2336333828 OGPUAOFPWAGTMV-ZWNOBZJWSA-N 300.811 1.293 10 10 DDCE CC(C)S(=O)(=O)N(C)Nc1nc(CCC(=O)O)cs1 2339780690 DSTFQEVTPRLWDN-UHFFFAOYSA-N 307.397 1.157 10 10 DDCE CC(C)N(C)S(=O)(=O)Nc1ccnn1-c1ccc(N)cc1 61628844 TZUHAYJATMYHFD-UHFFFAOYSA-N 309.395 1.451 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC(=O)c1ccc(N)cc1 170245383 YGULIUIRDIJCES-JTQLQIEISA-N 314.341 1.815 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)Cn1cnc([N+](=O)[O-])n1 120584688 KTKXYBSWDHPEBC-UHFFFAOYSA-N 319.321 1.331 10 10 DDCE COCCN1C(=O)N=C(O)/C(=C/c2ccc(O)c(OC)c2)C1=O 38166526 RECHBHNAGCCNHT-YFHOEESVSA-N 320.301 1.349 10 10 DDCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1sccc1Br 130612078 YMNNQSAYJBRMST-LURJTMIESA-N 304.173 1.937 10 10 DDCE CCc1cc(NS(=O)(=O)CCOc2ccc(N)cc2)[nH]n1 228317441 FTXJGYAOPXHWLI-UHFFFAOYSA-N 310.379 1.375 10 10 DDCE C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1N1CCOCC1 245783698 UTBZPGUTDSJLQR-CRAIPNDOSA-N 303.450 1.905 10 10 DDCE CC(=O)C(=O)COC(=O)CCC(=O)N1CCc2sccc2C1 808507211 DLESHRIUVYUMJF-UHFFFAOYSA-N 323.370 1.114 10 10 DDCE CC(=O)C(=O)COC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C 808541764 QWRXDGJJWWMCFB-SECBINFHSA-N 301.339 1.381 10 10 DDCE C/C=C/[C@@H](O)C(=O)NCc1cc(Br)ccc1O 908170322 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Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCc1cccc(O)c1O 1528771597 QTQLFKQNEGTYAH-SECBINFHSA-N 303.362 1.933 10 10 DDCE CNC(=O)C1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 1463812376 IQVLOANPVPQRSH-UHFFFAOYSA-N 315.417 1.771 10 10 DDCE Cn1nnnc1CCCNC(=O)NCc1cccc(Cl)c1O 1471568884 MRRNZFFJIZYGJA-UHFFFAOYSA-N 324.772 1.001 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cnn(-c2cccnc2)c1 1558175362 NPPPJRUTHUIFNV-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE Cn1ccnc1CCC(=O)NCc1ccc2cccnc2c1O 1557122976 MOTIZGOYAICVNL-UHFFFAOYSA-N 310.357 1.923 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCC2CS(=O)(=O)C2)cc1 1556216922 JNLWULLNOISHIX-UHFFFAOYSA-N 324.362 1.014 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@@]23CCOC3)cc1 1633906007 VZVYGVCJVFSENE-HNNXBMFYSA-N 318.333 1.481 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(CCO)cc1 1653431057 MOIMQYPDMDGGDE-VURMDHGXSA-N 313.353 1.962 10 10 DDCE CCN(C)c1nnc(C)n1Cc1ccc(N2CCOCC2)cc1 1766389547 SABLGBPZWXSOQP-UHFFFAOYSA-N 315.421 1.928 10 10 DDCE CS(=O)(=O)c1sccc1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912206305 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NC(=O)C[C@H]1CCN(c2ccc(CO)c(Br)c2)C1 690711534 FHKSXKQJJYFBDE-SECBINFHSA-N 313.195 1.643 10 10 DDCE COc1cc(Cl)cc(CN(C)C2(C(=O)O)COC2)c1O 2173121878 OHRSPCIZDQASLD-UHFFFAOYSA-N 301.726 1.340 10 10 DDCE O=C(O)CN1CC(NCc2c(O)cccc2Br)C1 2050203229 WVRDQVFYIAEVKC-UHFFFAOYSA-N 315.167 1.013 10 10 DDCE CCn1nnnc1CNCc1cccc(Br)c1O 2050237535 FDOMOZWCMWGGNS-UHFFFAOYSA-N 312.171 1.451 10 10 DDCE CN=c1[nH]c2ncnc-2c(NCc2cnc(SC)s2)[nH]1 2284712156 LUJSMSREYUHOMZ-UHFFFAOYSA-N 307.408 1.559 10 10 DDCE NN1C(=O)C(=Cc2cccc(OCC(=O)O)c2)SC1=S 2294874448 DADQPZYCLALQJI-UHFFFAOYSA-N 310.356 1.225 10 10 DDCE Cc1ccc(CN(C)C(=O)[C@@H](C)N)c(O)c1Br 2307471721 NHCNLECFZWRYEN-MRVPVSSYSA-N 301.184 1.769 10 10 DDCE CCS(=O)(=O)N(C)Nc1nc(C(C)C)c(C(=O)O)s1 2339782396 XVYCJYAPDXESNL-UHFFFAOYSA-N 307.397 1.573 10 10 DDCE C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCS1(=O)=O 127895549 OWWRETSJRAJKCU-AWEZNQCLSA-N 324.446 1.142 10 10 DDCE CCN1CCN(c2ccc(/C=C\C(=O)O)cc2[N+](=O)[O-])CC1 216472954 PMLJUZZHEBZXEX-XQRVVYSFSA-N 305.334 1.835 10 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COc1ccc(N2CCN(C[C@H](C)S(C)(=O)=O)CC2)cc1 827309237 CDXBVGUKIWIVPW-ZDUSSCGKSA-N 312.435 1.250 10 10 DDCE CS(=O)(=O)N[C@@H]1CCN(Cc2c(O)ccc3ccncc23)C1 735073449 MKDIKEFGIMUALW-GFCCVEGCSA-N 321.402 1.064 10 10 DDCE O=C(c1cccc(O)c1O)N1CCN(CCCCCO)CC1 913693372 YTEXZLNKLZZHHH-UHFFFAOYSA-N 308.378 1.018 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CSC(=O)N1 840557999 VWTCZYPXZIQUHM-FZMZJTMJSA-N 321.446 1.933 10 10 DDCE C[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)NC(N)=O 848080208 XBNUUWYDZBRQIS-ZCFIWIBFSA-N 320.176 1.762 10 10 DDCE COc1cc(O)c(CN2C[C@@H](C)N(CCO)C[C@H]2C)cc1OC 841890510 BYZCFRLESXVPSS-CHWSQXEVSA-N 324.421 1.296 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@@H]1CCCCS1(=O)=O 928707234 CMLFQDFVAZJITP-LBPRGKRZSA-N 301.339 1.115 10 10 DDCE C[C@@H](NC(=O)N1CC2CC1(CN)C2)c1ccc(N(C)C)cc1 851658283 AINTXFPKEWXSAH-SFYCDEOASA-N 302.422 1.946 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCCNC3)C2)cc1 851662786 JLKZURTYCYHDRH-KBPBESRZSA-N 318.421 1.325 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C1=NO[C@@H](CN)C1 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DDCE CCOC(=O)c1cccc(N)c1N[C@H]1CCCS(=O)(=O)C1 161175021 BUHIVNCJBXMGIB-JTQLQIEISA-N 312.391 1.435 10 10 DDCE C[C@H](O)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc[nH]2)SC1=S 1858595453 BNGIIMOYESAZRE-HBLDVERQSA-N 312.372 1.050 10 10 DDCE O=C(NCc1c(O)ccc2ccccc12)C1(n2cnnn2)CC1 1652708706 JMVOIUGNTSXXAH-UHFFFAOYSA-N 309.329 1.337 10 10 DDCE NC(=O)c1c(NS(=O)(=O)C2CC2)sc2c1CCCC2 1259270182 BFVQWLLKFBOBRV-UHFFFAOYSA-N 300.405 1.630 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@H](CS(C)(=O)=O)C2)c(F)c1 2143673160 TYAPMJHBDAFOOE-QWRGUYRKSA-N 301.383 1.750 10 10 DDCE CN1CCN(C(=O)OC(C)(C)C)[C@H](c2c(N)cccc2O)C1=O 1953047815 UPWFAKFCEQSWPQ-CYBMUJFWSA-N 321.377 1.725 10 10 DDCE CC(C)(C)OC(=O)NC1CC(C)(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980369091 GWNMNMYBOBKYRU-YPHDCTBHSA-N 324.421 1.945 10 10 DDCE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(N)cc2)CC(O)C1 1990032140 HGPOUMQAOZVRMF-UHFFFAOYSA-N 321.377 1.626 10 10 DDCE COCCOCCSC[C@H](O)COc1ccc(N)cc1 2145906186 VCJPRUQXIIBUJL-CYBMUJFWSA-N 301.408 1.405 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)c(Cl)c1 2151269463 OEADVXOWDMUBAO-DRCTWCGVSA-N 314.838 1.983 10 10 DDCE C[C@H](CCCNCc1ccc(N(C)C)cc1)S(=O)(=O)O 2160482047 RVRAQBMSPYPZTG-GFCCVEGCSA-N 300.424 1.899 10 10 DDCE CN(C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1ccc(CO)c(Cl)c1 2174678689 IVTHXMDXCJBXSK-XYYAHUGASA-N 315.822 1.559 10 10 DDCE OCC[C@@H]1CN(c2ccc(CO)cc2Br)CCO1 2052687848 IVQOBVOKWBYFDD-LLVKDONJSA-N 316.195 1.529 10 10 DDCE C[C@@H](Cn1cnnc1)NCc1c(O)cccc1Br 2066620590 VHZBCQICFLFZNU-VIFPVBQESA-N 311.183 1.925 10 10 DDCE NCc1ccc(N2CC[C@@H]3C(=O)NC[C@H]3C2)c(Br)c1 2100950657 VIWFAGNNJAUWBJ-QWRGUYRKSA-N 324.222 1.480 10 10 DDCE CN(C[C@H]1CCS(=O)(=O)C1)c1ccc(CN)c(Cl)c1 2092354471 YWOIHPNNQDNOKQ-SNVBAGLBSA-N 302.827 1.670 10 10 DDCE CCNCCCCS(=O)(=O)NCc1cnc(SC)s1 2269280805 OTZIKJAYZOPESP-UHFFFAOYSA-N 323.509 1.674 10 10 DDCE CCOc1ccc(C=C2C(=O)NC(=O)N(C)C2=O)c(OCC)c1 2294130681 AJEKEBXVKHWYPN-UHFFFAOYSA-N 318.329 1.576 10 10 DDCE CC(C)CN1C(=O)C(=CN[C@@H]2CCCC[C@H]2C)C(=O)NC1=S 2295113227 QHHDGQLZQQRPJX-DGCLKSJQSA-N 323.462 1.938 10 10 DDCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNC1CC1 2296091362 LNTFJVBTDORDKN-UHFFFAOYSA-N 305.721 1.559 10 10 DDCE CCCCCCN1C(=O)NC(=O)C(=CNN2CCCCC2)C1=O 2296114127 NHURXBNYOXGHSZ-UHFFFAOYSA-N 322.409 1.520 10 10 DDCE CN1C(=O)C(=Cc2ccccc2OCC(=O)O)SC1=S 2294871991 KOOLFMQLFUZBPA-UHFFFAOYSA-N 309.368 1.981 10 10 DDCE COC[C@H](C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 103382420 TWCJGVOJVWXACK-LBPRGKRZSA-N 310.369 1.561 10 10 DDCE O=C(NCCCSc1nccs1)N[C@@H]1CCC[C@@H]1O 177853042 RRCWIMCOEQDJSN-ZJUUUORDSA-N 301.437 1.838 10 10 DDCE CN(CC(=O)NCc1ccc(N(C)C)cc1)Cc1cnccn1 174645140 VNRACIBNSVGVNR-UHFFFAOYSA-N 313.405 1.291 10 10 DDCE Cc1nc(CNC(=O)NCc2ccc3c(c2)CCCN3C)no1 173556760 QBJRDMFUCJGTPQ-UHFFFAOYSA-N 315.377 1.760 10 10 DDCE Cc1ccc(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)c(O)c1O 182458656 WQXCMTODIDIFQJ-LLVKDONJSA-N 301.346 1.769 10 10 DDCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCC(F)(F)F 130750694 LAAWUBSTEBSHRH-VIFPVBQESA-N 306.284 1.426 10 10 DDCE CCCOc1cc(N(C)CCS(=O)(=O)NC)ccc1N 2151035198 YDQFGNVHJKPWFU-UHFFFAOYSA-N 301.412 1.043 10 10 DDCE COC(C)(C)CS(=O)(=O)NCCCSc1nccs1 809817330 XELPJZXRQZDGRC-UHFFFAOYSA-N 324.493 1.970 10 10 DDCE COc1ccc(O)c(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)c1 811805583 XELBXGANJMWMRT-UHFFFAOYSA-N 319.317 1.996 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@H]3COC[C@H]3C2)c1O 827602709 SSZOTZSVZKWGDQ-NWDGAFQWSA-N 308.334 1.777 10 10 DDCE COc1cc(Cl)cc(CN2CCO[C@@H]([C@H](C)O)C2)c1O 840979522 SULWZRZCUFBBAV-TVQRCGJNSA-N 301.770 1.636 10 10 DDCE C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)[C@H](C)CN1CCO 841892199 UVOCKYOFMWEREO-VXGBXAGGSA-N 308.378 1.008 10 10 DDCE O[C@@]1(CNCc2ccc(N3CCOCC3)cc2)C[C@H]2C=C[C@H]1C2 850375399 ZXFTXBHYYGUWBH-JENIJYKNSA-N 314.429 1.940 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3NCCC3(C)C)C2)cc1 852900686 PIQRADDUNWPCQO-XJKSGUPXSA-N 317.433 1.778 10 10 DDCE CN1CCN(c2ccc(CN[C@H]3C[C@@H](O)C34CCC4)cc2)CC1 850388930 RGCUWZIPGZHTQG-ZWKOTPCHSA-N 315.461 1.832 10 10 DDCE CN(Cc1ccccc1O)C[C@H]1CN=C(c2cnn(C)c2)O1 929971181 NBKOKLGHKOUEGJ-CQSZACIVSA-N 300.362 1.403 10 10 DDCE O=S(=O)(CCC[C@H]1CCOC1)NCc1ccc(O)cc1O 867417492 XERJRRSRZUJYHR-NSHDSACASA-N 315.391 1.334 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@@H](C)CO3)C2)cc1 892686118 RKWDYTVWLGFVLM-WWGRRREGSA-N 304.390 1.815 10 10 DDCE C[C@]1(C(N)=O)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 1138880972 RAZDGMVKRYDRIH-HNNXBMFYSA-N 320.370 1.650 10 10 DDCE CCOC(=O)c1n[nH]c([C@H](C)NCc2ccc(N(C)C)cc2)n1 895235656 MKBDLQKDJNKAIT-NSHDSACASA-N 317.393 1.898 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](O)CNCc1ccc2c(c1)CCO2 1962868907 AKYBJSBRLUILQF-CQSZACIVSA-N 322.405 1.597 10 10 DDCE O=C(CCC(=O)NC1CCCC1)NCc1cccc(O)c1O 1349079101 KEIRQKFNJPBNKW-UHFFFAOYSA-N 306.362 1.553 10 10 DDCE COC[C@@H](OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1264287432 XMYJENLXTLCCSD-MRXNPFEDSA-N 306.406 1.907 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@H](c2ccco2)C1 1445456952 UNUMTDDUVFHNQF-HNNXBMFYSA-N 303.314 1.833 10 10 DDCE COCCn1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cn1 1543091880 AETIPDIRLFJMGZ-UHFFFAOYSA-N 316.321 1.944 10 10 DDCE COC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1558421851 WORIQTUDCLCICQ-PWSUYJOCSA-N 318.333 1.921 10 10 DDCE CC(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)C(F)(F)F 1627361673 FSCKDHKLHNCGIJ-STQMWFEESA-N 321.295 1.704 10 10 DDCE O=C(NCc1cccc(Cl)c1O)c1nc2ncccn2n1 1637232155 LMMBMLKEAPTWBH-UHFFFAOYSA-N 303.709 1.413 10 10 DDCE O=C(NC[C@@H](n1cncn1)C(F)(F)F)c1cccc(O)c1O 1642669068 AMEBXQYTQPDMTD-SECBINFHSA-N 316.239 1.223 10 10 DDCE COc1cccc(CNC(=O)c2nccnc2SC)c1O 1595800518 XUTXWDYAGXFWEV-UHFFFAOYSA-N 305.359 1.843 10 10 DDCE Nc1ccc(CCC(=O)N2CCSC[C@H]2CC(=O)O)cc1 158173990 DUGHRELHZWPAEI-CYBMUJFWSA-N 308.403 1.620 10 10 DDCE COCCNCc1cc(F)c(N(C)[C@H]2CCOC2)c(F)c1 160116230 IQSZIQBLVZRVGV-LBPRGKRZSA-N 300.349 1.926 10 10 DDCE Nc1ccc(CC(=O)Nc2ccccc2S(=O)(=O)O)cc1 1865957025 PLALJKRFPKJRDD-UHFFFAOYSA-N 306.343 1.697 10 10 DDCE C[C@H](CNC(=O)COc1ccc(N)cc1)NC(=O)OC(C)(C)C 1977676993 WEZRJLOVVRCYKY-LLVKDONJSA-N 323.393 1.677 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N(CCO)Cc1ccccc1 170190485 URXNCPBEDAFJBW-UHFFFAOYSA-N 303.314 1.438 10 10 DDCE CS(=O)(=O)N1CC[C@@H](CN2CCC[C@H](N=[N+]=[N-])CC2)C1 2155559012 ULEBNIPLLJBVEJ-RYUDHWBXSA-N 301.416 1.433 10 10 DDCE N[C@@H]1CN(Cc2ccc(Br)cc2O)[C@@H]2COC[C@@H]12 2040554397 MIRUFBRCPYDBDC-QJPTWQEYSA-N 313.195 1.313 10 10 DDCE CS(=O)(=O)c1cnn(Cc2cc(F)ccc2O)c1Cl 2070244853 OQEMOPMJEDMYOI-UHFFFAOYSA-N 304.730 1.833 10 10 DDCE COc1ccc(N2C[C@@H]3C(N)[C@H]3C2)c(OC)c1Br 2045672916 ZBWQAZOGNDFNOR-YUMQZZPRSA-N 313.195 1.860 10 10 DDCE CN[C@@H](C)c1ccc(N2CC(O)(CO)C2)cc1Br 2051903948 ZDWDPBPFZRUNTR-VIFPVBQESA-N 315.211 1.273 10 10 DDCE COc1ccc(N2CC(S(=O)(=O)C(F)F)C2)c(CO)c1 2235968746 VNVGUWNBUZLXJG-UHFFFAOYSA-N 307.318 1.014 10 10 DDCE CC(=O)NC1=NC(=O)C(=Cc2ccc(OC(C)=O)cc2)S1 2297458174 FVWXGHNHGHLJPO-UHFFFAOYSA-N 304.327 1.718 10 10 DDCE CN1CCC(N(C)C(=O)[C@@]23CC[C@@H](C(=O)C2=O)C3(C)C)CC1 101103577 UDTYSAQWVHGIOY-YVEFUNNKSA-N 306.406 1.113 10 10 DDCE CC(C)NS(=O)(=O)N1CCc2cc(N3CCCC3)ccc21 62526105 QOJXHSANKWQUEL-UHFFFAOYSA-N 309.435 1.892 10 10 DDCE COc1ccc(O)c(CNC(=O)Cn2nnc3ccccc32)c1 172042198 ZPBOWVYAVKJMPU-UHFFFAOYSA-N 312.329 1.462 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cccc(-n2ccnc2)n1 180835616 MLGZDKXEMGMDPG-UHFFFAOYSA-N 324.340 1.651 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1 49563217 OBOKAETYOLRTRL-HUUCEWRRSA-N 309.435 1.315 10 10 DDCE C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCN1CCO 190238035 BQEUYBGLWFRZCN-INIZCTEOSA-N 319.449 1.022 10 10 DDCE COc1cccc(CN2CCN(Cc3ccon3)CC2)c1O 93561077 GTIQBMVATPQFIQ-UHFFFAOYSA-N 303.362 1.707 10 10 DDCE CS(=O)(=O)C[C@H](N)c1c(Br)ccc(F)c1O 95769605 XCQIGHZKFYQDOC-ZETCQYMHSA-N 312.160 1.338 10 10 DDCE CCOc1ccc(O)c(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)c1 245774320 SIPXCNSMNNTITG-PBHICJAKSA-N 320.433 1.943 10 10 DDCE COCCN1CCN(Cc2cc(OC)c(C)cc2O)C[C@@H]1C 245512779 AZJKJEOWBWADJD-AWEZNQCLSA-N 308.422 1.862 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O 808508246 XQCPICKCQFWIAA-CQSZACIVSA-N 317.341 1.358 10 10 DDCE CC1(C)COCCN1CCNC(=O)/C=C\c1ccc(O)c(O)c1 588406723 NOOLZCBWTLSVHA-XQRVVYSFSA-N 320.389 1.338 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CCC[C@@]3(CCCOC3)C2)cc1 841055332 NUVMSANEPYTTID-QGZVFWFLSA-N 317.389 1.627 10 10 DDCE CC(C)C[C@@]1(C(=O)NCc2ccc(O)cc2O)CCNC1=O 910958343 ZZENJFHNYNPZIW-INIZCTEOSA-N 306.362 1.266 10 10 DDCE COC(=O)CC1CC(NC(=O)/C=C/c2ccc(O)c(O)c2)C1 927936251 CFGPSNZTQYWYJJ-HWKANZROSA-N 305.330 1.569 10 10 DDCE C[C@@H](NC[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc([N+](=O)[O-])ccc1O 926945763 BREAMMWHYRTITK-FCIGDQIPSA-N 308.334 1.755 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C[C@@](C)(O)C3CC3)C2)cc1 855233931 PMAZNWMREYPNLO-RDTXWAMCSA-N 318.417 1.941 10 10 DDCE C=CC(=O)NCCC(=O)N1CCOc2cc(N(C)C)ccc21 163912331 QCJRAPVJAOZETL-UHFFFAOYSA-N 303.362 1.170 10 10 DDCE COC(=O)[C@]1(OC)CCN(Cc2cc(OC)c(C)cc2O)C1 863298515 YYQKDUFDSLPGIA-INIZCTEOSA-N 309.362 1.473 10 10 DDCE O[C@@H](CNc1ccccc1OCCF)CC1(O)CCOCC1 872213648 VTFYIAKBIHLPOT-CYBMUJFWSA-N 313.369 1.739 10 10 DDCE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CC1=O 779525298 JRAHAJJOPBWEDF-CRMMIGNJSA-N 316.357 1.237 10 10 DDCE NC(=O)C1CCN(c2ccc(CN[C@@H]3CCCOC3)cc2)CC1 886746716 AMEVHRDTNMAQCC-MRXNPFEDSA-N 317.433 1.657 10 10 DDCE C[C@H](CS(=O)(=O)N(C)Cc1ccccc1O)C(N)=S 1877529988 YMDLLIBDMQLYCB-SECBINFHSA-N 302.421 1.076 10 10 DDCE C[C@@H](NCc1c(O)cccc1F)C1CCS(=O)(=O)CC1 896639911 ZFSMQKGOSZYBRE-SNVBAGLBSA-N 301.383 1.834 10 10 DDCE O=C(NCc1c(O)ccc2ccccc12)[C@H]1CCCS1(=O)=O 1157051002 NBSJUNBXMKSGSS-OAHLLOKOSA-N 319.382 1.739 10 10 DDCE C[C@H](NC(=O)C(=O)NC1C[C@@H]2C[C@H]2C1)c1ccc(N(C)C)cc1 1328096582 GQMBXAXTYOVRGS-UBHSHLNASA-N 315.417 1.845 10 10 DDCE CCOCCNC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1275046319 RKAOEFXSHRYHRJ-LLVKDONJSA-N 321.381 1.593 10 10 DDCE COCCOC[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1444951424 HBDVNPHAXNBPMR-ZDUSSCGKSA-N 309.362 1.152 10 10 DDCE CNC(=O)Cc1nc(CN[C@H](C)c2ccccc2O)cs1 1460640158 TXZLGLPUYSJMTK-SNVBAGLBSA-N 305.403 1.988 10 10 DDCE Cn1ncc2c1C[C@@H](C(=O)NCc1cc(O)ccc1O)CC2 1471661871 FUBUUFUNWGDVDG-JTQLQIEISA-N 301.346 1.253 10 10 DDCE CC(C)(C)OC(=O)NCCC(=O)NCc1cc(O)ccc1O 1471661108 QPDUNNLNVTZPLC-UHFFFAOYSA-N 310.350 1.629 10 10 DDCE O=C(CNC(=O)c1ccc(F)cc1)NCc1cccc(O)c1O 1558160445 WGNWPCAEJJESNC-UHFFFAOYSA-N 318.304 1.283 10 10 DDCE C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](C)C1O 1632502465 AAMQFMQXLMNFFU-UWVGGRQHSA-N 304.350 1.938 10 10 DDCE C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(O)cc1O 1639441233 NCFDXVVDYJPMCJ-LLVKDONJSA-N 314.341 1.533 10 10 DDCE Cc1nn(C)c2ncc(C(=O)NCc3cc(O)ccc3O)cc12 1637122178 ADRPUTRXRXKKLQ-UHFFFAOYSA-N 312.329 1.618 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCC(F)(F)[C@H]1O 1642583075 ZOMYOSHDYKLPAN-HBWVAPHISA-N 313.300 1.776 10 10 DDCE CN1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(O)c(O)c2)C1 1588289202 ARAYSCREYVMPOP-KGLIPLIRSA-N 304.390 1.583 10 10 DDCE O=C(NCCN(Cc1ccccc1O)C[C@@H]1CCCO1)C1CC1 1652842793 WSISIBPWASMTGG-INIZCTEOSA-N 318.417 1.899 10 10 DDCE COC[C@@H]1CC[C@@H](Sc2nccs2)C[C@@]1(N)C(=O)O 2127244185 UPJBDQVGGBCLIM-SBMIAAHKSA-N 302.421 1.832 10 10 DDCE CN(C)C(=O)C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 1772911271 JHOGZMGADQQBME-XQRVVYSFSA-N 318.373 1.438 10 10 DDCE COCCn1ncc(NCc2ccccc2O)c(Cl)c1=O 163773373 APXHMBXGUTXXJQ-UHFFFAOYSA-N 309.753 1.861 10 10 DDCE CN(CC(F)(F)CO)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 2150989499 IXKJJNPZBYVFQM-SNVBAGLBSA-N 305.712 1.356 10 10 DDCE CN1C[C@@H](O)[C@H](NCc2cc(Br)cc(F)c2O)C1 2029866620 KFXKCQDCIBZZSA-GHMZBOCLSA-N 319.174 1.058 10 10 DDCE CCNC(=O)C1CN(c2ccc(CO)c(Br)c2)C1 2049061350 KUIKFPJANVFXOZ-UHFFFAOYSA-N 313.195 1.514 10 10 DDCE O=C1C[C@@H](NCc2cc(Br)cc(F)c2O)CO1 2253308187 PZDZSIXSZDAYHA-MRVPVSSYSA-N 304.115 1.699 10 10 DDCE CCN=c1[nH]oc(C)c1C(=O)NCc1cnc(SC)s1 2284717205 BAEHPAYJXPXIQT-UHFFFAOYSA-N 312.420 1.945 10 10 DDCE CC[C@@H]1C(=O)NC(C)(C)C(=O)N1Cc1cnc(SC)s1 2284666767 QFPKPJHMFHMEOO-SECBINFHSA-N 313.448 1.881 10 10 DDCE COc1cc(C=C2SC(=S)N(N)C2=O)cc(OC)c1O 2294874434 CATGPDBAPOQRNR-UHFFFAOYSA-N 312.372 1.484 10 10 DDCE CN(C)c1ccc(C=C2SC(=S)N(CCO)C2=O)cc1 2294874896 YGHANUFNTWVVRD-UHFFFAOYSA-N 308.428 1.946 10 10 DDCE COc1ccc(O)c([C@H](C)NS(=O)(=O)N2CCC[C@@H]2C)c1 185013267 PPCAQYDSQAFXTP-QWRGUYRKSA-N 314.407 1.781 10 10 DDCE C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)CC1(C)OCCO1 1147842931 FHLUCKNTZYKNKM-LLVKDONJSA-N 309.362 1.546 10 10 DDCE C[C@@H]1SCCN(S(=O)(=O)Cc2ccc(N)cc2)[C@@H]1C 132027974 VNVZNRWNHOCCSM-MNOVXSKESA-N 300.449 1.924 10 10 DDCE CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)c1cccc(O)c1O 365676845 YNYJHTVDNZQFMR-MNOVXSKESA-N 323.345 1.281 10 10 DDCE COc1ccc(N2CCC(N[C@H](C)Cn3cncn3)CC2)cc1 370646494 VGKZRJHECCGJSI-CQSZACIVSA-N 315.421 1.934 10 10 DDCE O=C(C1CC1)[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)CCO1 801265814 APNIMVFETSWGJW-ZBBQIYFKSA-N 317.341 1.318 10 10 DDCE CC(C)(C)c1cc(O)c(O)c(CN2C[C@H]3COC[C@@H](C2)O3)c1 800863000 DIHISDRYVYFFIA-OKILXGFUSA-N 307.390 1.995 10 10 DDCE Cc1cc(CN2C[C@H](O)C[C@H]2CO)ccc1N1CCCCC1 828549322 DRIUKFGDFVUMIQ-DLBZAZTESA-N 304.434 1.913 10 10 DDCE O=C(NCc1cc(Br)ccc1O)[C@@H]1C[C@H]1[N+](=O)[O-] 839762646 UBTYBPFOMVADDG-RKDXNWHRSA-N 315.123 1.436 10 10 DDCE C/C(=C\C(=O)N[C@@H](C)c1ccccc1O)CN1CCOCC1 913763820 SIDQIEJDGXASSM-CMPYXILNSA-N 304.390 1.848 10 10 DDCE CC(=O)C1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1 846947357 CQQUDXJAZRNIDR-UHFFFAOYSA-N 317.433 1.670 10 10 DDCE CCCc1nnc(S)n1CC(=O)NCc1c(O)cccc1F 928712593 UCQQFKPKTHXECL-UHFFFAOYSA-N 324.381 1.680 10 10 DDCE O=C(N[C@@H]1CCCN2CCSC[C@@H]12)c1cccc(O)c1O 928093835 ZBXZVDICYOFPDR-NEPJUHHUSA-N 308.403 1.407 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CCC(C)(C)N)C2)cc1 851639387 FCPNVYDLKZSAAK-CYBMUJFWSA-N 305.422 1.908 10 10 DDCE COc1ccc(N2CCN(Cc3nnc(OC)s3)CC2)cc1 929152818 FIZGBKYLMAOQLG-UHFFFAOYSA-N 320.418 1.878 10 10 DDCE CN(Cc1ccccc1O)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 926651124 PFUVUBBDWPAPNW-IPYPFGDCSA-N 306.362 1.338 10 10 DDCE CN(C)CCn1nccc1NC(=O)N1Cc2cccc(O)c2C1 931567485 SOHBQTUZGDZQNC-UHFFFAOYSA-N 315.377 1.698 10 10 DDCE O=S(=O)(CCC[C@@H]1CCOC1)NCc1ccc(O)cc1O 867417491 XERJRRSRZUJYHR-LLVKDONJSA-N 315.391 1.334 10 10 DDCE C[C@@H]1CN(Cc2c(O)cccc2Br)CC(=O)N1C 862355411 FSSWBPNAUGDTDF-SECBINFHSA-N 313.195 1.817 10 10 DDCE COc1cccc(CNC(=O)Nc2cc(OC)n(C)n2)c1O 775921762 WHOQAZZKOQAKGJ-UHFFFAOYSA-N 306.322 1.465 10 10 DDCE Cc1cccc(CNCCn2ncc(Br)n2)c1O 1875997408 AUDMCODVYQHHRD-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2c(O)cccc2F)n1C 1156170050 DPUNFFGWUNCPSU-UHFFFAOYSA-N 306.293 1.586 10 10 DDCE CCC(=O)N1CCCC[C@@H]1C(=O)NCc1c(O)cccc1O 1156880781 AUSMXBKKLJWGJF-GFCCVEGCSA-N 306.362 1.505 10 10 DDCE CO[C@]1(CNCc2ccc(Cl)cc2O)CCS(=O)(=O)C1 1474715184 WLSOBOZJMVVMHV-ZDUSSCGKSA-N 319.810 1.339 10 10 DDCE COC[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H]1CCCOC1 1178048693 WGXIOVQGIJRRTC-STQMWFEESA-N 309.362 1.198 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CN(CCCN=[N+]=[N-])CC[C@H]1CO 1894071548 YVWNNBHIOVSPLC-NWDGAFQWSA-N 313.402 1.894 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@@H]1CCCN1C(=O)C1CC1 1351000417 RFWXIZFCNLBWJP-ZDUSSCGKSA-N 306.337 1.549 10 10 DDCE CCc1nc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n[nH]1 1468383799 NYABSOJINZNFKK-UHFFFAOYSA-N 318.358 1.923 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)cn1 1469159637 LHQLBSRFDVVKDD-UHFFFAOYSA-N 302.286 1.209 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F 1545998376 OXTNHNFPEXRVKP-NOZJJQNGSA-N 319.279 1.555 10 10 DDCE C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(O)cc1O 1626837659 CFHVJPQOWRALSF-MGPLVRAMSA-N 315.325 1.943 10 10 DDCE NC(=O)[C@H]1Cc2ccccc2N(C(=O)c2cc(O)cs2)C1 1627998710 BQGYNMQMKLRFAT-JTQLQIEISA-N 302.355 1.758 10 10 DDCE CNCc1ccc(N2CC[C@H](S(C)(=O)=O)C2)cc1Cl 2123323191 HXOWJWGQDPPPRM-LBPRGKRZSA-N 302.827 1.683 10 10 DDCE CCOCCOCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1633137117 FGMHZVMBSFQTJE-UHFFFAOYSA-N 322.365 1.974 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CN3CCC2CC3)cc1 1636747498 IHWBTKMZDATOCU-ZDUSSCGKSA-N 315.377 1.921 10 10 DDCE O=C1O[C@H](C(=O)NCc2cccc(O)c2O)Cc2ccccc21 1633508714 PBYPLGOEAYVWLI-AWEZNQCLSA-N 313.309 1.496 10 10 DDCE O=C1NCC[C@]1(C(=O)NCc1cc(O)ccc1O)C1CCCC1 1593881025 CHFWTKKNBPGIEJ-KRWDZBQOSA-N 318.373 1.411 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@H]1C[C@H]1CCCO1 1598215037 KDEYNHBTLIRYIJ-ZIAGYGMSSA-N 321.373 1.437 10 10 DDCE CCOC(=O)CS(=O)(=O)N1CCCC[C@@H](CN=[N+]=[N-])C1 1912186447 DOUCENVPGCLHLO-JTQLQIEISA-N 304.372 1.292 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN(CCS(=O)(=O)C(F)(F)F)C1 1912162953 COCRQUWSGOJBJV-MRVPVSSYSA-N 300.306 1.943 10 10 DDCE CC[C@H]1SC[C@H](C(=O)O)N1C(=O)CCc1ccc(N)cc1 158156247 DCHWIPHAOSEXDQ-TZMCWYRMSA-N 308.403 1.966 10 10 DDCE CC(=O)N[C@@H](C)C(=O)NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1890322705 SSIKALFPERKIQK-NUTKFTJISA-N 315.417 1.816 10 10 DDCE C[C@@H](NS(=O)(=O)CCOc1ccc(N)cc1)C1(F)CC1 1922350222 XMMRMMLKCLCVCC-SNVBAGLBSA-N 302.371 1.458 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1COCC[C@@]1(N)c1ccccc1O 1933870252 DDOQDIIQIJIZJR-CZUORRHYSA-N 308.378 1.860 10 10 DDCE CC(C)(C)OC(=O)N1CCNC[C@H]1c1cc(O)c(O)c(O)c1 1952059660 ANTRVGWUEBKYER-JTQLQIEISA-N 310.350 1.685 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](N)C[C@@H]1c1cc(O)nc(O)c1 1952675734 CFOUISAVIUHVPO-GHMZBOCLSA-N 309.366 1.892 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCN(CCCN=[N+]=[N-])C[C@H]1CO 1975181010 XWBOYMWORUYHQT-RYUDHWBXSA-N 313.402 1.894 10 10 DDCE CS(=O)(=O)C[C@H]1CCCN1c1c(F)cc(CN)cc1F 2151271326 DMGGLWAEDZSBJF-SNVBAGLBSA-N 304.362 1.437 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)c(Cl)c1 2151269462 OEADVXOWDMUBAO-CHIMOYNISA-N 314.838 1.983 10 10 DDCE Oc1cc(Br)ccc1CN[C@@H]1CO[C@H]2COC[C@@H]12 2040332515 BOTFXMNCOKXUFA-LOWVWBTDSA-N 314.179 1.658 10 10 DDCE CS(=O)(=O)N1CCC[C@H](NCc2cccc(Cl)c2O)C1 400175142 ONPFGHIYZAYGDW-NSHDSACASA-N 318.826 1.559 10 10 DDCE Oc1ccc(Br)cc1CN[C@H]1CCOC[C@@H]1O 706777427 BMYISNIZZZQIGR-JQWIXIFHSA-N 302.168 1.394 10 10 DDCE C[C@@H]([C@@H](C)NCc1cc2c(cc1O)OCO2)S(C)(=O)=O 2170597460 OYRXCLIZVCGQLG-BDAKNGLRSA-N 301.364 1.032 10 10 DDCE CSc1ncc(CNC(=O)c2csc(CN)n2)s1 2257014656 PSOGAXAHRVNYSF-UHFFFAOYSA-N 300.434 1.710 10 10 DDCE CSc1cc(N(C)CCCS(C)(=O)=O)ccc1CN 2353849598 VCGCSHLGIODOQW-UHFFFAOYSA-N 302.465 1.738 10 10 DDCE CS(=O)(=O)[C@@H](C(=O)N1CCC(CN=[N+]=[N-])CC1)C1CC1 2361065715 BRQFENBAPARUTK-LLVKDONJSA-N 300.384 1.359 10 10 DDCE C[C@@H](NCCC(=O)N1CCOCC1)c1ccc(F)c(F)c1O 187669708 BMJHBDFXZHKRRZ-SNVBAGLBSA-N 314.332 1.570 10 10 DDCE C[C@@H](N)c1ccc(N2CCN(C)C(=O)C2)c(Br)c1 84204777 XPTRWEWMCJYMQC-SECBINFHSA-N 312.211 1.747 10 10 DDCE C[C@@]1(O)CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 322674597 OGZBLCZRFCMAOV-OAHLLOKOSA-N 321.333 1.667 10 10 DDCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1nncn1C 47471973 MFTJBOZUWBMOQT-UHFFFAOYSA-N 310.317 1.309 10 10 DDCE CCN(CC(N)=O)c1ccc(CNC)cc1Br 233444760 UYRDORQUNOESIQ-UHFFFAOYSA-N 300.200 1.480 10 10 DDCE CCN(CC)c1ccc(CN2CC[C@H](NC(N)=O)C2)cc1F 271395330 UQTLYBGBPIZCLF-ZDUSSCGKSA-N 308.401 1.915 10 10 DDCE CC[C@@H](O)CC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 819589327 CTPBWGSKZVGIGT-DZGCQCFKSA-N 306.406 1.799 10 10 DDCE COCc1n[nH]c(CNCc2cc(Cl)cc(F)c2O)n1 827006889 WSOXXEYAHSTNBU-UHFFFAOYSA-N 300.721 1.739 10 10 DDCE COc1ccc(O)c(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1 825201114 IUZFLJUJYBVZGC-HIFRSBDPSA-N 311.403 1.552 10 10 DDCE CN(C)C(=O)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 915206225 GVBTUAXMNZGWDQ-UHFFFAOYSA-N 303.406 1.680 10 10 DDCE CCOc1ccc(O)c(CN2CCC(NCCOC)CC2)c1 844901780 YEKNDRAATPIFLF-UHFFFAOYSA-N 308.422 1.991 10 10 DDCE C[C@H](NC(=O)N1CCO[C@@H]([C@@H](C)O)C1)c1ccc(N(C)C)cc1 840354745 OQXZNHBDHPUSQK-WOSRLPQWSA-N 321.421 1.605 10 10 DDCE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCCc2ccc(N)cc2)CC1=O 841856406 NOTKWEDCTWEDPC-DFBGVHRSSA-N 316.405 1.120 10 10 DDCE CC[C@@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(N(C)C)cc1 927028344 IMXFRHCBLLONJD-HUUCEWRRSA-N 314.451 1.199 10 10 DDCE Cc1ccc(C(=O)N[C@H]2CCCN3CCSC[C@H]23)c(O)c1O 928089892 LWRLWXPGIZHBNI-QWHCGFSZSA-N 322.430 1.716 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCCO3)C2)cc1 855234133 SRQRKNXGSILTBP-XJKSGUPXSA-N 304.390 1.959 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cn(C)c(O)n3)C2)cc1 855227804 ZFFNSPYXUKXXPI-NSHDSACASA-N 316.361 1.143 10 10 DDCE C[C@@H]1CN(C)C[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 756104832 YVYWANYROBOWFY-CXAGYDPISA-N 321.440 1.827 10 10 DDCE C=CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 862158262 FYHTWSTYZJXYGA-CYBMUJFWSA-N 317.389 1.035 10 10 DDCE COc1ccc(N2CCC(NC[C@H](O)CC(C)(C)O)CC2)cc1 872200284 OJTZTGKZHYSZAF-MRXNPFEDSA-N 322.449 1.776 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@H]2COC[C@@H](C1)O2 897684152 YOQQWZPVBBNHCK-AOOOYVTPSA-N 321.354 1.552 10 10 DDCE Cc1nccn1CCCCNC(=O)Cc1ccc(O)c(O)c1 1136925248 QNNBVIWKTHGDPR-UHFFFAOYSA-N 303.362 1.742 10 10 DDCE COc1ccc(O)c(CNC(=O)Nc2nccc(N(C)C)n2)c1 797640789 WNFSLQQEAGQYMG-UHFFFAOYSA-N 317.349 1.579 10 10 DDCE CN1CCN(c2ccc(CNCC3(CCO)CC3)cc2F)CC1 1320585761 WKQWKLGSECGEAT-UHFFFAOYSA-N 321.440 1.830 10 10 DDCE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1893864616 OEYDOBXSZCUHTG-UZWSLXQKSA-N 310.394 1.507 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2n[nH]cc2C)cc1C 1266937862 PKVLTJVCSWYHAE-CYBMUJFWSA-N 316.405 1.943 10 10 DDCE Cn1cnc(/C=C/C(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)c1 1529941083 CRTBGPSYVMLXJF-YBJDMEARSA-N 310.357 1.124 10 10 DDCE O=S1(=O)C[C@H]2[C@H](CNCc3cc(Cl)ccc3O)[C@H]2C1 2117988487 PAGGGXSNFPPEJE-CNDDSTCGSA-N 301.795 1.426 10 10 DDCE COc1cc(CNC[C@H]2CCCO2)ccc1N1CCNCC1 211632191 CCBJZRODFGSNPX-OAHLLOKOSA-N 305.422 1.373 10 10 DDCE Cc1cnc(C2(NC(=O)c3cc(O)cs3)CCOCC2)[nH]1 1558567067 JTCIDZKRDMPEQS-UHFFFAOYSA-N 307.375 1.921 10 10 DDCE COc1ccc(CNCCN(CCO)C(=O)C2(C)CC2)cc1C 1484483737 ZANHWGZBGUYZQM-UHFFFAOYSA-N 320.433 1.714 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1nccc(C(F)F)n1 1556865348 UAAMUWJCKDLFQR-UHFFFAOYSA-N 309.272 1.684 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2cn[nH]c2)cc1C 1731894212 YDWRZVIJDMSRLE-UHFFFAOYSA-N 302.378 1.589 10 10 DDCE Cc1sc(=O)n(CC(=O)NCc2c(O)cccc2O)c1C 1645361033 UMPGAVXJFZWAEQ-UHFFFAOYSA-N 308.359 1.254 10 10 DDCE C[C@](O)(CCO)CNCc1cc(Br)cc(F)c1O 1966085829 UCPJXOZRIFYFBH-LBPRGKRZSA-N 322.174 1.517 10 10 DDCE O=C(Cn1ncc2ccccc21)NCCc1ccc(O)c(O)c1 156583699 COLZJQBWXKDYAB-UHFFFAOYSA-N 311.341 1.806 10 10 DDCE C[C@@H](O)c1ccc(N2CC(CO)(CO)C2)cc1Br 1914979859 JBANZYYQTRBGCH-SECBINFHSA-N 316.195 1.293 10 10 DDCE CN(CCNC(=O)OC(C)(C)C)C[C@@H](N)c1ccccc1O 1932524644 MLKLXRFMVZGVTO-CYBMUJFWSA-N 309.410 1.849 10 10 DDCE CS(=O)(=O)C1CN(c2ccc(CN)c(Br)c2)C1 1946912326 WBPURCKZKQGGHP-UHFFFAOYSA-N 319.224 1.141 10 10 DDCE O=S1(=O)CCN[C@@H](c2cccc(Br)c2O)C1 1952599833 JELNJLNSIUJBSL-SECBINFHSA-N 306.181 1.214 10 10 DDCE CN(c1ccc(CN)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1977855450 ZZFCJOYWSVXOSC-CABCVRRESA-N 321.421 1.562 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](Nc2c(N)cccc2C(N)=O)C1 1978873714 HYYGXSJCSBBKBW-SNVBAGLBSA-N 320.393 1.789 10 10 DDCE N[C@H]1[C@H]2C[C@H]1N(Cc1cc(Br)cc(F)c1O)C2 715791638 IQRPUUVJVCBISG-FZYJTZEISA-N 301.159 1.825 10 10 DDCE C[C@]1(CO)C[C@H](O)CN1c1ccc(CN)c(Br)c1 698197299 JAYCOSRHTLPQSW-WCQYABFASA-N 315.211 1.230 10 10 DDCE OC[C@]1(CNCc2cc(Br)ccc2O)CCCO1 2073627725 PZFGWLAIPUMAGP-CYBMUJFWSA-N 316.195 1.786 10 10 DDCE NCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1Br 2081458223 WFDHSTDGGSQCLS-IAZYJMLFSA-N 310.195 1.075 10 10 DDCE CN(C)c1ccc([C@@H](NN)c2ncn(C)c2Br)cc1 2106853420 QYLBEEHOGGZDJQ-LLVKDONJSA-N 324.226 1.801 10 10 DDCE C[C@H](NCc1c(O)cccc1Cl)[C@H]1CCS(=O)(=O)C1 2089886395 DQMLYYHMHUXXGC-UWVGGRQHSA-N 303.811 1.958 10 10 DDCE CC1(C)CN(c2ccc(CO)c(Cl)c2)CCS1(=O)=O 2113954846 MXQRORSXZBLEMV-UHFFFAOYSA-N 303.811 1.846 10 10 DDCE C[C@H]1C[C@@]1(F)CNS(=O)(=O)CCOc1ccc(N)cc1 2206308859 YBEUUGQNIKSAAA-GXFFZTMASA-N 302.371 1.315 10 10 DDCE COCCN(C[C@H](C)O)c1ccc(CO)c(Br)c1 2259669825 QQJLKKUUIOICBK-JTQLQIEISA-N 318.211 1.775 10 10 DDCE CCC1(CS(=O)(=O)N2CCC[C@@H](N=[N+]=[N-])CC2)COC1 2287166571 ZAIWMZNIVNMUOR-LLVKDONJSA-N 302.400 1.908 10 10 DDCE Cc1ccc(CN2CCNC[C@H]2CN)c(O)c1Br 2327551285 CRPRIBAHWGNOSF-LLVKDONJSA-N 314.227 1.196 10 10 DDCE Cc1ccc(CN(C)[C@@H]2COC[C@H]2N)c(O)c1Br 2327597704 ZDEFLKBQLSLLDK-GHMZBOCLSA-N 315.211 1.621 10 10 DDCE Cc1cc(N2CCC[C@H](N)C2)ccc1OCCS(C)(=O)=O 63063379 QUFMBQRQBXKYGT-ZDUSSCGKSA-N 312.435 1.346 10 10 DDCE Oc1ccc(OC(F)(F)F)cc1CNCC1(O)CSC1 2361153081 GOSDVVQVIYXWKN-UHFFFAOYSA-N 309.309 1.858 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCc2[nH]ncc21 122785168 DUCVBAJNPMKMPE-LLVKDONJSA-N 301.346 1.600 10 10 DDCE CCS(=O)(=O)N1CC(CN[C@@H](C)c2ccc(F)cc2O)C1 190691335 XDPSAQLCXLLCFN-JTQLQIEISA-N 316.398 1.463 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1c(N)cccc1F 45147951 USWCSXHPNSKGTK-UHFFFAOYSA-N 310.350 1.934 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)[C@H]1CC[C@@H]2CCCCN21 901124666 XFIDSROVNPCMKX-UONOGXRCSA-N 304.390 1.773 10 10 DDCE Cc1cc(CC(=O)NC(CO)CO)c(C)n1-c1ccccc1 831519129 KUEKGLZNZQYKDM-UHFFFAOYSA-N 302.374 1.106 10 10 DDCE CC(C)(C)OC(=O)NOCC(=O)N1Cc2cccc(O)c2C1 913726191 JTYVXHJZSXALDD-UHFFFAOYSA-N 308.334 1.691 10 10 DDCE CCOc1ccc(CN2C[C@H](C)N(CCO)C[C@H]2C)c(O)c1 841892181 UDFIHBBVUNNZEF-UONOGXRCSA-N 308.422 1.678 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cn2c(n1)COCC2 858200314 VBQHQXDDCIEPIJ-UHFFFAOYSA-N 314.389 1.752 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C3CCC(O)CC3)C2)cc1 855226620 RHTNAKZNWKQVMP-BBBYJDLNSA-N 318.417 1.941 10 10 DDCE CN1CCN(c2ccc(CN3CC[C@@H](F)[C@H](N)C3)cc2)CC1 853247787 BCLXMIBHZABSKS-IAGOWNOFSA-N 306.429 1.310 10 10 DDCE COC(=O)N(C)CC(=O)NCc1ccc2cccnc2c1O 862028594 DWRFUDSHSSVGOG-UHFFFAOYSA-N 303.318 1.255 10 10 DDCE C[C@H](c1ccc(N(C)C)cc1)N1C(=O)[C@H]2[C@@H](O)CCCN2C1=O 761578753 WUSYPWHJOHINON-BYCMXARLSA-N 317.389 1.601 10 10 DDCE C[C@H](NC(=O)N1CCNC(=O)CC1)c1ccc(N(C)C)cc1 776237444 HCROUELFZYFQOU-LBPRGKRZSA-N 304.394 1.345 10 10 DDCE COC[C@H](NCc1cc2c(cc1O)OCO2)[C@@H]1CCCOC1 886360312 UGHYJJJKMCKMFF-YPMHNXCESA-N 309.362 1.652 10 10 DDCE COc1ccc(CNC(=O)NC2CCC(C(N)=O)CC2)c(O)c1 793072943 FIZSDTAABRZTLY-UHFFFAOYSA-N 321.377 1.244 10 10 DDCE C[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)[C@@H](C)NC(=O)OC(C)(C)C 1961043265 PAWCSXVHLRYKDO-USZNOCQGSA-N 312.410 1.801 10 10 DDCE CN(C)[C@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C12CCC2 1168341459 SKJICVFMWULIAS-CABCVRRESA-N 304.390 1.629 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)NC[C@]2(C)CC2(C)C)cc1 1353637686 LCYZXKXUTBTOCW-SFHVURJKSA-N 317.433 1.921 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)Cc2nnc(N)s2)c1 1445970842 QUHARBHWPNEFHZ-ZETCQYMHSA-N 308.363 1.254 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCC3(CC2)CC(=O)N3)cc1 1292406020 HLLUULLQHCVSAY-UHFFFAOYSA-N 315.333 1.344 10 10 DDCE COc1ccc2c(c1)OC[C@H](NC(=O)c1cccc(O)c1O)C2 1466650455 VVNBJVQKJZOMML-LLVKDONJSA-N 315.325 1.840 10 10 DDCE COC(=O)[C@H]1CN(C(=O)/C=C/c2cn(C)cn2)c2ccccc21 1531448313 GIJGZYFEAVXJBG-NPQIQWPPSA-N 311.341 1.737 10 10 DDCE Cc1nc2cc(O)nn2c(C)c1CNC(=O)c1cc(O)cs1 1627760040 SNJPVKRATNPHMX-UHFFFAOYSA-N 318.358 1.749 10 10 DDCE CCCN1CC(O)(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 1484312407 FKZTVTSBDJPIOP-UHFFFAOYSA-N 319.365 1.036 10 10 DDCE CCC(=O)NCC(=O)N[C@@H](C)CNCc1ccc(OC)c(C)c1 1498023620 NXNURSFJPFKNIJ-ZDUSSCGKSA-N 321.421 1.124 10 10 DDCE CC(C)(C)n1ncnc1CNC(=O)Cc1ccc(O)c(O)c1 1639525879 APKGBTMJMXKWOF-UHFFFAOYSA-N 304.350 1.303 10 10 DDCE COc1cccc(-n2cc(C(=O)NCc3ccccc3O)nn2)c1 1631540250 QNPRZEJYGHDATP-UHFFFAOYSA-N 324.340 1.912 10 10 DDCE NC(=O)CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CCCC1 1632930923 JKRNDSAXNSGYPX-UHFFFAOYSA-N 317.349 1.719 10 10 DDCE C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1O 1648892006 KXRLQANBVNQSGE-NSHDSACASA-N 324.340 1.375 10 10 DDCE C[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H]1CO 1646321176 BWCYGXHVEIZUOI-ZYHUDNBSSA-N 304.350 1.940 10 10 DDCE Cc1nnn(NC(=O)c2cc3cc(O)c(O)cc3s2)c1C 1651165343 UXKBECVJLQEACT-UHFFFAOYSA-N 304.331 1.905 10 10 DDCE O=C(NCCCSc1nccs1)c1nsnc1O 1585222182 IGHPWABBCYNYNC-UHFFFAOYSA-N 302.406 1.612 10 10 DDCE COc1cc(Cl)cc(CN2CC[C@](N)(C(=O)O)C2)c1O 229192347 PJXMBZHZOWNDSL-CYBMUJFWSA-N 300.742 1.042 10 10 DDCE OCc1ccc(N2C[C@H](O)C[C@@H](F)C2)c(Br)c1 2213902857 BBHKFBJQEJCCOY-NXEZZACHSA-N 304.159 1.851 10 10 DDCE CC[C@H](C)C(=O)NC[C@H](O)CNCc1ccc(OC)c(C)c1 1667790217 QGGWHHMLTQFWKZ-SWLSCSKDSA-N 308.422 1.616 10 10 DDCE CN(c1ccc(CN)c(Br)c1F)[C@@H]1CCNC1=O 1916799024 OIUQPUQGKXCGJK-SECBINFHSA-N 316.174 1.372 10 10 DDCE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O 1985021274 YFMIZZMDXUSVIS-ZWNOBZJWSA-N 324.377 1.283 10 10 DDCE O=C1Nc2cc(N3C[C@H](F)[C@@H](CO)C3)c(Cl)cc2[C@H]1O 2177140055 QHNPJRUYILMVQT-PUQNFTFYSA-N 300.717 1.092 10 10 DDCE CN(c1ccc(CO)c(Br)c1)[C@H]1COC[C@H]1O 708713153 RLEBLSAODJPTPL-NWDGAFQWSA-N 302.168 1.137 10 10 DDCE CS(=O)(=O)[C@@H]1CSCCN1c1ccc2c(c1)CC[C@@H]2N 2184738749 XNDXXUTYJPQXNS-UONOGXRCSA-N 312.460 1.557 10 10 DDCE C[C@H](NCc1c(O)cccc1Br)c1nc(=O)o[nH]1 2057699474 KJVSCCFSKPRZEQ-LURJTMIESA-N 314.139 1.682 10 10 DDCE C[C@]1(O)CN(c2ccc(CN)cc2Br)CC[C@H]1O 2081724021 QPQFQAVVPFKWGL-OLZOCXBDSA-N 315.211 1.230 10 10 DDCE CCOc1cccc(CNCCS(=O)(=O)C(F)F)c1O 2232498415 JTWCDMXQGKXBFM-UHFFFAOYSA-N 309.334 1.518 10 10 DDCE CCO[C@@H]1CS(=O)(=O)C[C@H]1NCc1cnc(SC)s1 2269090069 JIZNVOWLUBWGEM-NXEZZACHSA-N 322.477 1.157 10 10 DDCE CSc1ncc(CNS(=O)(=O)C2CCC(=O)CC2)s1 2269239308 AZIDQENLGJETTO-UHFFFAOYSA-N 320.461 1.796 10 10 DDCE CC[C@H](O)C(=O)NCc1ccc(C)c(Br)c1O 2307467431 XXJMECDJAKDLIE-VIFPVBQESA-N 302.168 1.850 10 10 DDCE Cc1ccc(CN[C@@H]2COCC[C@H]2O)c(O)c1Br 2327628535 HZGMTYBJVIDZKV-GHMZBOCLSA-N 316.195 1.703 10 10 DDCE CN(C)c1ccc(CN(C)S(=O)(=O)C2CCOCC2)cc1 57877653 JOEBPNXABKKUMM-UHFFFAOYSA-N 312.435 1.693 10 10 DDCE CC[C@@H](C)N1C(=O)/C(=C\NCc2cccnc2)C(=O)N=C1S 103106334 DOANMFWLDTXBBC-WJEYQPDNSA-N 318.402 1.508 10 10 DDCE Nc1ccc(OCCN2C(=O)COc3ccc(N)nc32)cc1 75259136 KCMUSNSFJIBATE-UHFFFAOYSA-N 300.318 1.050 10 10 DDCE CN(Nc1nc([C@@H]2[C@@H](C(=O)O)C2(C)C)cs1)S(C)(=O)=O 2365283988 ZEHLGYMZAPVJCE-SFYZADRCSA-N 319.408 1.186 10 10 DDCE CC1CCN(CCNS(=O)(=O)Cc2ccc(N)cc2)CC1 40771073 QOMIJBZQCYVARQ-UHFFFAOYSA-N 311.451 1.420 10 10 DDCE COC(=O)CCCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 275572523 IHJRZTNNPODVJP-LLVKDONJSA-N 309.362 1.878 10 10 DDCE C[C@@H]1C[C@@H](N[C@@H]2CCC(=O)N(C)C2=O)c2c(O)ccc(F)c21 818362065 PBKYLCHHYNIYCG-FBIMIBRVSA-N 306.337 1.817 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)cc1 811809150 ZEYAUINDBLGUQI-ZDUSSCGKSA-N 313.405 1.832 10 10 DDCE C/C=C(/C)C(=O)NC[C@@H](CO)NCc1ccc(OC)c(C)c1 1507187629 ZOQJJUMLNIBWNE-LGVHXXEASA-N 306.406 1.537 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CCC2(CCN2)CC1 817864811 CQXFHNNIECVYKG-UHFFFAOYSA-N 301.434 1.851 10 10 DDCE O=C(N[C@@]1(CCO)CCOC1)c1cc2cc(O)c(O)cc2s1 907788504 ZMAOSFGXHXWDSX-HNNXBMFYSA-N 323.370 1.584 10 10 DDCE O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1cccc(Br)c1O 846103551 QOJQPEIPUUSGDW-FJHFEUQMSA-N 316.220 1.860 10 10 DDCE NCc1ccc2c(c1)CCCN2CC(=O)Nc1nccs1 844218874 DAZROPSOKPAUJB-UHFFFAOYSA-N 302.403 1.993 10 10 DDCE CCOc1ccc(O)c(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)c1 854241630 RVOPITIRYFIHQU-MLGOLLRUSA-N 307.346 1.324 10 10 DDCE Cc1cc(CN[C@@H]2C(=O)NCC23CCOCC3)ccc1N(C)C 925433056 BGTLJRRREIQVDA-MRXNPFEDSA-N 317.433 1.446 10 10 DDCE Cc1ccc([C@@H](C)NC[C@]2(OCCO)CCOC2)c(O)c1C 850510825 YDFIUFUHWBFQGZ-RHSMWYFYSA-N 309.406 1.828 10 10 DDCE Oc1ccccc1CN[C@H]1CCN(c2ccc3nncn3n2)C1 858243582 LJJMFGQBHYWQQA-ZDUSSCGKSA-N 310.361 1.198 10 10 DDCE COc1ccc(CNC(=O)NC[C@H](OC)[C@H]2CCOC2)c(O)c1 852438727 WIIHAJVTYUTMJO-WFASDCNBSA-N 324.377 1.252 10 10 DDCE C[C@]1(C(F)F)CN(C(=O)C(=O)Nc2ccc(N)cc2)CCO1 853336945 SKFZNCRJAKVTTM-CQSZACIVSA-N 313.304 1.090 10 10 DDCE COc1ccc(N2CCC(NCCCn3ccnn3)CC2)cc1 753586822 JSKKPDDMMMDEKZ-UHFFFAOYSA-N 315.421 1.935 10 10 DDCE CO[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 935035976 YZLOFSMGUIBITG-SQWLQELKSA-N 305.374 1.935 10 10 DDCE COc1ccc(COCC(=O)N(C)Cc2ccccc2O)cn1 860047413 DEKOVKPNRWQCFA-UHFFFAOYSA-N 316.357 1.971 10 10 DDCE C[C@@H](NC(=O)[C@]1(C)CCC(=O)NC1)c1ccc(N(C)C)cc1 798501068 FRZWPSXPZIEOMW-SJKOYZFVSA-N 303.406 1.846 10 10 DDCE CC(C)(C)OC(=O)N1CCS[C@H](C(=O)NCCN=[N+]=[N-])C1 1885557027 JOISIMLVQCPXKE-VIFPVBQESA-N 315.399 1.765 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NOCCOc1ccccc1 1305280548 VPFJRGHUJFWVGU-UHFFFAOYSA-N 303.314 1.767 10 10 DDCE C[C@@H](NC(=O)C(=O)N1CC2CC1(C)C2)c1ccc(N(C)C)cc1 1328034279 AZTSKJRKXIEOEY-WHENESEISA-N 315.417 1.941 10 10 DDCE COC1CC(CCNC(=O)C(=O)N(C)Cc2ccccc2O)C1 1329632267 QQLPJUWHGCCFMC-UHFFFAOYSA-N 320.389 1.282 10 10 DDCE CCN(CC)c1ccc(CNC(=O)CN2CCOCC2)cc1 1291710991 LQUQZDLCFNKZTC-UHFFFAOYSA-N 305.422 1.481 10 10 DDCE CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1456055674 JIBOPKVKUWJGFA-GFCCVEGCSA-N 320.389 1.546 10 10 DDCE C[C@H](NC(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C)c1ccccc1O 1521343194 YWWOVQNHPONOJJ-YDHLFZDLSA-N 320.437 1.387 10 10 DDCE CN(C)Cc1cc([C@H](CN)NC(=O)OC(C)(C)C)ccc1O 1536004134 VEVVFLGCKSAWRL-ZDUSSCGKSA-N 309.410 1.978 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCCC(N)=O 1540486869 DJYFVKCFMVOIBH-UHFFFAOYSA-N 303.406 1.901 10 10 DDCE NC(=O)c1ncc(NC(=O)/C=C/c2ccc(O)c(O)c2)s1 1637846059 VGSYTAGQEXLSIF-DUXPYHPUSA-N 305.315 1.305 10 10 DDCE CCC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC 1639600520 IHICJCSZWROWNC-LLVKDONJSA-N 306.322 1.921 10 10 DDCE CN1CCC[C@@H]1c1cc(C(=O)NCc2ccc(O)cc2O)n[nH]1 1638351879 GPKCEBHOSKSGMA-CQSZACIVSA-N 316.361 1.518 10 10 DDCE N=C1NC(=O)[C@@H](CC(=O)NCc2cccc(Cl)c2O)S1 1647827118 XVJVQZRXYFETQW-MRVPVSSYSA-N 313.766 1.218 10 10 DDCE COC(=O)[C@H](C)CS(=O)(=O)Nc1ccc(O)cc1Cl 2127133668 CCGVDHXGJPXHPY-SSDOTTSWSA-N 307.755 1.596 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1ccc(-n2cncn2)cc1 159113219 QLXATZFIEPPJRL-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE C[C@@H](O)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc[nH]2)SC1=S 1858595452 BNGIIMOYESAZRE-DKCHPDHTSA-N 312.372 1.050 10 10 DDCE COCc1nnc(NC(=O)[C@@H](C)Oc2ccc(N)cc2)s1 1860083004 AQLPSXBKUQNHRY-MRVPVSSYSA-N 308.363 1.673 10 10 DDCE CC(C)CCN1C(=O)COc2ccc(N3CCNCC3)cc21 31947269 SQNIQSAJEBDENX-UHFFFAOYSA-N 303.406 1.868 10 10 DDCE CN(OCc1ccccc1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 1937155596 VMYOMQNVRYETMK-AWEZNQCLSA-N 316.357 1.558 10 10 DDCE OC[C@@H]1COC[C@H]1NCc1cccc(Br)c1O 1942672235 BNMXQSROHJKZHR-MWLCHTKSSA-N 302.168 1.252 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NCc1ccc(O)c(O)c1O 1984415092 LLVYLNKIYZODOQ-MNOVXSKESA-N 324.377 1.806 10 10 DDCE CO[C@@H]1CN(c2cc3c(cc2Cl)[C@H](O)C(=O)N3)C[C@H]1F 2146472869 DQDPDFATRPQOKL-FXAINCCUSA-N 300.717 1.499 10 10 DDCE CO[C@H]1COC[C@@H]1NCc1c(O)cccc1Br 2008133865 IWEWJQDPLIYSLH-JQWIXIFHSA-N 302.168 1.658 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)cc1Cl 321121597 CWPAYGFTLSSTPC-ADEWGFFLSA-N 314.838 1.996 10 10 DDCE CCCS(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 701319045 NTIKJZOLFLVEHT-VHSXEESVSA-N 303.388 1.006 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC[C@H]2CCCS2)cc1 715956786 XHCFMXQZBHTYRZ-CYBMUJFWSA-N 300.449 1.974 10 10 DDCE CC1(c2nocc2C(=O)N2Cc3cccc(O)c3C2)COC1 2062230530 NOXYCJNCBSECSA-UHFFFAOYSA-N 300.314 1.824 10 10 DDCE CO[C@H]1COC[C@H]1N(C)c1ccc(CO)cc1Br 2057139324 VCDAAMWHHBEWAJ-OLZOCXBDSA-N 316.195 1.791 10 10 DDCE N[C@H]1CN(Cc2cc(Br)ccc2O)CC[C@H]1CO 2058510018 PCDJLRCBMIZQLW-CABZTGNLSA-N 315.211 1.296 10 10 DDCE CN(C[C@]1(O)CCOC1)c1ccc(CN)c(Br)c1 2066016996 SEHJCNXJADBVTR-CYBMUJFWSA-N 315.211 1.495 10 10 DDCE Oc1cc(Br)ccc1CNCC1COCCOC1 2067781129 XUBTZMPEHLQHLK-UHFFFAOYSA-N 316.195 1.907 10 10 DDCE CN(C)c1ccc([C@H](NN)c2cc(Br)n(C)n2)cc1 2106852705 IYXMFVIPYJQZCI-ZDUSSCGKSA-N 324.226 1.801 10 10 DDCE CC1(C)C[C@@H](NCc2ccc(F)cc2O)CCS1(=O)=O 2204743407 AGCDTWDRNGEXLG-LBPRGKRZSA-N 301.383 1.977 10 10 DDCE CCN=c1nc(Cl)[nH]c(=NCc2cnc(SC)s2)[nH]1 2269312800 PCQKFVCQHZQSTJ-UHFFFAOYSA-N 316.843 1.591 10 10 DDCE COc1ccc(N2CCSC[C@@H]2S(C)(=O)=O)c(CN)c1 2235965438 DNHPPHQPTUXVEN-ZDUSSCGKSA-N 316.448 1.078 10 10 DDCE CSc1ncc(CNC(=O)C2(CN)CCOCC2)s1 2269089315 BEUKTQOSPUIDPQ-UHFFFAOYSA-N 301.437 1.237 10 10 DDCE CSc1ncc(CNC(=O)NC[C@@]2(C(=O)O)C[C@H]2C)s1 2284543713 IQMLEYNFOFHLJG-KRTXAFLBSA-N 315.420 1.775 10 10 DDCE Cc1ccccc1N1C(=O)C(=CNC2CC2)C(=O)NC1=S 2297057261 VTKGCPYZZHSAHG-UHFFFAOYSA-N 301.371 1.379 10 10 DDCE COCCN/C=C1\C(=O)N(c2ccc(F)cc2)C(=O)N=C1O 103120096 YJSQGIYWNLUULS-FLIBITNWSA-N 307.281 1.369 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CC[C@]4(CCOC4)C3)cc2N1 301682750 UHSNHUNRGCRLAP-HNNXBMFYSA-N 319.317 1.543 10 10 DDCE CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(O)c1 219494514 KZJDMWRCVXKZPY-WQLSENKSSA-N 317.345 1.330 10 10 DDCE CC(C)[C@@](C)(CO)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 810075674 RYSUXSINDSTAPL-GOSISDBHSA-N 321.465 1.708 10 10 DDCE CO[C@]1(CN[C@H]2CCc3cccc(O)c32)CCS(=O)(=O)C1 903363596 PEUKLNGPEQHZNU-WFASDCNBSA-N 311.403 1.173 10 10 DDCE CCN(C[C@@H](O)C(F)(F)F)C(=O)/C=C\c1ccc(O)c(O)c1 588529784 TVLQTBFNZUGXAA-TXNVCOODSA-N 319.279 1.883 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)C1(F)CC1 830766172 ZDFYCBUNTRAAMI-UHFFFAOYSA-N 308.353 1.756 10 10 DDCE CN(Cc1ccccc1O)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 847458307 SNFAUKGOUFBRIS-ZDUSSCGKSA-N 319.361 1.517 10 10 DDCE CC(C)n1cc(S(=O)(=O)NCc2c(O)cccc2F)cn1 921452046 BHADLXSWMZXFCQ-UHFFFAOYSA-N 313.354 1.787 10 10 DDCE COC(=O)CCNC(=O)CCN[C@H](C)c1cc(C)ccc1O 858542789 XRODPWPDDJQFDY-GFCCVEGCSA-N 308.378 1.421 10 10 DDCE O=C(CCCCO)NCc1cc(Br)ccc1O 868307341 YOVVMRYONOCLNB-UHFFFAOYSA-N 302.168 1.934 10 10 DDCE C[C@@H]1CCCN1S(=O)(=O)NCc1ccc(N(C)C)c(F)c1 770244827 LQTYWRDNVUUHJD-LLVKDONJSA-N 315.414 1.710 10 10 DDCE COC[C@@]1(C(=O)OC)CCCN1Cc1cc(F)cc(F)c1O 895314708 PGTXSQIQCVSQNR-OAHLLOKOSA-N 315.316 1.824 10 10 DDCE Cn1cncc1[C@H](CO)NC(=O)c1ccc(N=NC(N)=O)cc1 1149212967 GSMGUGINFBTHFF-NSHDSACASA-N 316.321 1.046 10 10 DDCE CCCNC(=O)CN(CCC)C(=O)Cc1ccc(O)c(O)c1 1141969975 GDWXLSVOHWBLFU-UHFFFAOYSA-N 308.378 1.405 10 10 DDCE CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 1140683115 KPQCICWJSQDFQY-OLZOCXBDSA-N 321.373 1.878 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N(C)CCN=[N+]=[N-] 1885563412 UIQGZWDZPROJDS-DTWKUNHWSA-N 301.347 1.029 10 10 DDCE O=C(COc1ccc([N+](=O)[O-])cc1)NCc1c(O)cccc1O 1304051573 XCUGRIWHBYDYNV-UHFFFAOYSA-N 318.285 1.701 10 10 DDCE O=C1c2ccccc2C(=O)N1CN1CCc2cc(O)c(O)cc2C1 1889799044 HZVFPZPURCVPAY-UHFFFAOYSA-N 324.336 1.710 10 10 DDCE COc1c(C(=O)NCc2cccc(O)c2O)cccc1[N+](=O)[O-] 1176576805 SUCLOPSEWUPFHX-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE Nc1ccc(Cn2nc(Cc3cccs3)c(=O)[nH]c2=O)cc1 82720954 IVUFNZROXVCZKA-UHFFFAOYSA-N 314.370 1.214 10 10 DDCE CN(C)c1ccc(Cn2nc(C(=O)O)c3c2CCNC3)cc1 82810655 NZZYZYZRHPCBNU-UHFFFAOYSA-N 300.362 1.341 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)C=C(C)C)cc1C 1320185509 IERBARCJKKJTTM-HNNXBMFYSA-N 306.406 1.537 10 10 DDCE CC(C)(C)OC(=O)N1CC(O)(CNCc2cccc(O)c2O)C1 1918695731 ZYOFNNMWAJCUCM-UHFFFAOYSA-N 324.377 1.169 10 10 DDCE CN1C[C@@H]2CC[C@H](NC(=O)NCc3ccc(N(C)C)cc3)[C@H]2C1 1346655623 QHPCOJXUKWYMGD-XIRDDKMYSA-N 316.449 1.892 10 10 DDCE CCO[C@@H]1COCC[C@@H]1CC(=O)NCc1cccc(O)c1O 1520508968 QEKPMVLNFGETFZ-BXUZGUMPSA-N 309.362 1.546 10 10 DDCE CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc(O)c(O)c2O)C1 1535969313 IVMVVBRBBGYFSV-SNVBAGLBSA-N 310.350 1.685 10 10 DDCE O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(O)cc1O 1469151370 GSMSXFDHOVMYFD-UHFFFAOYSA-N 302.286 1.865 10 10 DDCE COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(O)cc1 1611178497 SZHGABFVJPKAPN-ZDUSSCGKSA-N 317.297 1.448 10 10 DDCE CCN1CC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 1557133585 QEMQMAQKZRCQMH-YOEHRIQHSA-N 317.433 1.732 10 10 DDCE C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)NCc1ccccc1O 1631540186 NLQXRYUVZBEQFP-NHYWBVRUSA-N 320.389 1.064 10 10 DDCE CCCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)=O 1581386830 OLFBDQBWFAEAAI-UHFFFAOYSA-N 319.365 1.837 10 10 DDCE CN1CCc2nc(NC(=O)c3cc(O)c(O)c(O)c3)sc2C1 1865876317 CULSHKFGYQMHIB-UHFFFAOYSA-N 321.358 1.500 10 10 DDCE CC(=O)C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C 1865939168 GHLDUZWWNAPAAQ-AWEZNQCLSA-N 300.362 1.281 10 10 DDCE C[C@H]1CCCC[C@H]1NC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878937 OXMJBSRFJOQGGB-GXFFZTMASA-N 300.366 1.553 10 10 DDCE C[C@@H](C(=O)O)S(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2152893532 KMQSMMAGXZUMGD-YFKPBYRVSA-N 313.253 1.626 10 10 DDCE C[C@H](CCS(C)(=O)=O)N(C)c1c(F)cc(CO)cc1F 2160756609 FRHNMGSHSOMXTE-SECBINFHSA-N 307.362 1.717 10 10 DDCE C[C@H]1CSCCN1S(=O)(=O)CCOc1ccc(N)cc1 70490926 YXHQDJYTDXJTTM-NSHDSACASA-N 316.448 1.415 10 10 DDCE C[C@@H](COC(F)(F)F)NS(=O)(=O)Cc1ccc(N)cc1 2173362123 LTALPKQSIVAVIY-QMMMGPOBSA-N 312.313 1.613 10 10 DDCE CC(C)n1cc(CNCc2ccc3c(c2)CCO3)c(O)nc1=O 2063101028 YYCWWIPJCDRMNT-UHFFFAOYSA-N 315.373 1.755 10 10 DDCE CS[C@H]1CN(c2c(F)cc(CN)cc2F)C[C@H]1N(C)C 2170717583 PZQQVOMLTLPJIR-OLZOCXBDSA-N 301.406 1.905 10 10 DDCE C[C@@](Cc1ccc(O)c(O)c1)(NC(=O)C(F)(F)F)C(=O)O 2081113451 TUIWWTNZSDFUIK-NSHDSACASA-N 307.224 1.162 10 10 DDCE CN1C[C@@H]2C[C@H](C1)N2c1cc(Br)c(CN)cc1F 2067425418 OZQGRPVMBZWVQQ-AOOOYVTPSA-N 314.202 1.940 10 10 DDCE COC(=O)C(C)(C)CS(=O)(=O)NCC1(CN=[N+]=[N-])CC1 2290098596 FSHWWAMWWBRXIW-UHFFFAOYSA-N 304.372 1.196 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1C[C@@H]2CCC[C@H](C1)C2O 2308001478 MNGQHTCNZOZREQ-MPYYAJLASA-N 303.358 1.730 10 10 DDCE COC[C@@H](C)n1ccc(=NC(=O)C=Cc2ccc(O)c(O)c2)[nH]1 2310381609 ZPGMZWKHSKWDJP-LLVKDONJSA-N 317.345 1.576 10 10 DDCE C[C@H](O)CN1CCN(C(=O)C=Cc2ccc(O)c(O)c2)[C@@H](C)C1 2312437467 SEQUALHKJXZPKH-STQMWFEESA-N 320.389 1.025 10 10 DDCE CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCN1C[C@@H](C)O 182520707 GFSQBSOSLZZKAM-CHWSQXEVSA-N 322.405 1.323 10 10 DDCE C[C@@H](NCCCn1ccnn1)c1ccc(N2CCOCC2)cc1 184261343 FBCXYEUCLZRBQW-OAHLLOKOSA-N 315.421 1.856 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3CCN[C@H]3C)CC2)cc1 316019668 CSPPFUAMLACPRO-BBRMVZONSA-N 303.406 1.342 10 10 DDCE O=C(NC1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C1)C1CCC1 189228820 QOSMIPQSUOSFMG-FNORWQNLSA-N 316.357 1.238 10 10 DDCE Cc1n[nH]c(NS(=O)(=O)CCOc2ccc(N)cc2)c1C 228321479 LMJZYQXENYGPOG-UHFFFAOYSA-N 310.379 1.429 10 10 DDCE CNCc1ccc(N2CCOC[C@@H]2CO)c(Br)c1 234451916 HONYMUOGJRRMJM-NSHDSACASA-N 315.211 1.366 10 10 DDCE CCOc1cccc(CN2C[C@H](C)[C@@H](N3CCOCC3)C2)c1O 245751113 NTMUDQQGJTZBOO-HOCLYGCPSA-N 320.433 1.943 10 10 DDCE CCOc1ccc(O)c(CNC[C@H]2CCCCN2CCO)c1 824584013 VATYXYPEZVIRSW-OAHLLOKOSA-N 308.422 1.727 10 10 DDCE c1cc(-c2cn(Cc3ccc(N4CCOCC4)cc3)nn2)n[nH]1 900600751 JMSGJUMZUIICMS-UHFFFAOYSA-N 310.361 1.553 10 10 DDCE O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cc(O)cs1 732291082 OWFDKYPHFANTCB-GFCCVEGCSA-N 302.355 1.989 10 10 DDCE C[C@H]1C[C@@H](C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)CCN1 832267200 OBCNTPGXXAAYMQ-DUVNUKRYSA-N 304.438 1.257 10 10 DDCE CCOc1ccncc1S(=O)(=O)NCCc1ccc(N)cc1 850587188 RNHNOUVUNSITDM-UHFFFAOYSA-N 321.402 1.584 10 10 DDCE CO[C@@H]1CCC[C@H]([C@H](CO)NCc2cc([N+](=O)[O-])ccc2O)C1 850354082 VCTLAQDPUPKQGV-GLQYFDAESA-N 324.377 1.956 10 10 DDCE CO[C@H]1COCC[C@H]1N(C)Cc1ccc(N2CCOCC2)cc1 931698179 KVTFYHDYCKXUGC-MSOLQXFVSA-N 320.433 1.759 10 10 DDCE COC(=O)c1cc(OCc2ccn(C)c(=O)c2)ccc1N(C)C 865396392 RFOFKQPEQZWSAW-UHFFFAOYSA-N 316.357 1.817 10 10 DDCE O=S1(=O)C[C@@H]2CCN(Cc3cc(F)cc(F)c3O)C[C@@H]2C1 895470325 JWLSTWWKRRKTLZ-GXSJLCMTSA-N 317.357 1.537 10 10 DDCE COCCOCCCNC(=O)c1ccc(N=NC(N)=O)cc1 1135760971 VJQYWUSXCPIJEU-UHFFFAOYSA-N 308.338 1.632 10 10 DDCE CCOCCOC[C@@H](O)CNCc1cc(Cl)cc(C)c1O 792195051 DAFWUNRKRXSGIP-AWEZNQCLSA-N 317.813 1.858 10 10 DDCE NC(=O)COc1ccccc1C(=O)NCc1c(O)cccc1F 1303877728 FHNCKBGNENQWGF-UHFFFAOYSA-N 318.304 1.325 10 10 DDCE CCN(CCCNCc1ccc(Cl)cc1O)S(C)(=O)=O 1964036845 BHPNNCXPUNSMCR-UHFFFAOYSA-N 320.842 1.807 10 10 DDCE COc1ncc(/C=C/C(=O)NCc2cc(O)ccc2O)cn1 1176748324 OTKWHOBYYYPDOQ-GORDUTHDSA-N 301.302 1.226 10 10 DDCE C[C@@H](N)[C@@H]1CN(Cc2c(O)cccc2Br)CCO1 706806410 DFLTVFTXGPYOPV-RNCFNFMXSA-N 315.211 1.703 10 10 DDCE CO[C@@H](C)CN(C(C)C)S(=O)(=O)Cc1ccc(N)cc1 688030523 KTWMUDCQLPLRCX-LBPRGKRZSA-N 300.424 1.844 10 10 DDCE CNCc1cc(F)c(N2CCS[C@H](CCO)C2)c(F)c1 720045323 NNBOGVFXTCHYFO-LLVKDONJSA-N 302.390 1.988 10 10 DDCE COC(=O)CCN(C)S(=O)(=O)Nc1ccc(O)cc1Cl 693916841 ZGNRGJZLVLMACY-UHFFFAOYSA-N 322.770 1.197 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CN1CCOC1=O 1440713136 ODOYCWFMLKWTKA-UHFFFAOYSA-N 317.389 1.697 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1sccc1-n1ccnn1 1299572710 FRNPYGGSMOJWLN-UHFFFAOYSA-N 316.342 1.670 10 10 DDCE CN(Cc1nc[nH]n1)C(=O)c1cc2cc(O)c(O)cc2s1 1467516669 JYSYUDJHBIRDLW-UHFFFAOYSA-N 304.331 1.703 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cnc(C2CC2)nc1O 1622753214 MERDYNAVUDUBOZ-UHFFFAOYSA-N 315.329 1.443 10 10 DDCE COc1nsc(OC)c1C(=O)NCc1c(O)cccc1F 1638867033 YXUFNJZCOJRYHS-UHFFFAOYSA-N 312.322 1.935 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1ccn2nccc2n1 1643284625 IZGKVTLATJHHQF-UHFFFAOYSA-N 319.324 1.913 10 10 DDCE COCC(=O)NCC1CC(NCc2ccc(OC)c(C)c2)C1 1657167861 NKKDDJUNUNNGRH-UHFFFAOYSA-N 306.406 1.634 10 10 DDCE CC1(C)C[C@H](S(=O)(=O)Nc2ccc(O)cc2Cl)CN1 2127975903 KNYQOYBMYROZCX-VIFPVBQESA-N 304.799 1.928 10 10 DDCE CN(C)c1ccc([C@@H](CNC(=O)CCN)N2CCCCC2)cc1 1866115396 TVIIUVAFFMPUJU-QGZVFWFLSA-N 318.465 1.745 10 10 DDCE COc1ccc(Cc2nnnn2-c2ccc(N)cc2)cc1OC 1857876521 FGGOUPSBPBEPQO-UHFFFAOYSA-N 311.345 1.853 10 10 DDCE N[C@H]1COCCN(Cc2c(O)cccc2Br)C1 1946793078 KZYPAXPUQKQOQV-SECBINFHSA-N 301.184 1.314 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(c2cccc(O)c2O)C[C@@H]1C(=O)O 1952771678 CLPCMLRDDGLHEO-PSLIRLAXSA-N 309.318 1.922 10 10 DDCE CC(C)(C)OC(=O)NCc1cc(C(=O)N2CC(N=[N+]=[N-])C2)no1 1985095286 BXRNUNSUWCTGMZ-UHFFFAOYSA-N 322.325 1.834 10 10 DDCE OC[C@@H](O)C1(NCc2cccc(Br)c2O)CC1 2015902192 XNPMDOIHYUINQU-SNVBAGLBSA-N 302.168 1.130 10 10 DDCE CS(=O)(=O)N1CCC[C@H](NCc2ccc(F)cc2O)C1 294266229 OCNPXKOFLMUQFN-LBPRGKRZSA-N 302.371 1.045 10 10 DDCE CCCS(=O)(=O)C[C@@H](C)NC(=O)c1cccc(O)c1O 2170591590 ZRUKXUBBMKXSKU-SECBINFHSA-N 301.364 1.041 10 10 DDCE C[C@H](CS(=O)(=O)C(C)(C)C)NCc1cccc(O)c1O 2170589342 PQVOCKZHNLDWCM-SNVBAGLBSA-N 301.408 1.789 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC(CCF)CC3)c2n1 2062470430 INUWZJBEHYOHSY-UHFFFAOYSA-N 306.341 1.955 10 10 DDCE CC1(CF)CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 2178129391 VTHCHCLKONMTGE-UHFFFAOYSA-N 302.371 1.269 10 10 DDCE NCc1ccc(N2C[C@@H]3[C@H](CO)[C@@H]3C2)c(F)c1Br 2061569040 JFPFYLBJOYXHSF-ILWJIGKKSA-N 315.186 1.721 10 10 DDCE Cc1cc(O)cc(C)c1NS(=O)(=O)N1CCC[C@@H](O)C1 2239668841 KKTUFGBAJXGTHW-LLVKDONJSA-N 300.380 1.122 10 10 DDCE CSc1ncc(CN=c2[nH]c(CC(C)C)nc(=N)[nH]2)s1 2284724430 PFWOQTNOPSQGLV-UHFFFAOYSA-N 310.452 1.695 10 10 DDCE CC(C)CNC=C1C(=O)NC(=S)N(C2CCCCC2)C1=O 2296943206 JZCLMPFXNMRBKA-UHFFFAOYSA-N 309.435 1.692 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1CCCC[C@@H]1c1nc[nH]n1 2308009349 UEVPIUGAQZXTNI-GFCCVEGCSA-N 314.345 1.983 10 10 DDCE COC(=O)[C@]12C[C@H]1CN[C@H]2c1c(O)cccc1Br 2308896184 WPRGLVYCUZDJKK-LCHGKGQCSA-N 312.163 1.978 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H]3CO)cc1Br 2311889566 XDEXLWBJRVQQRZ-SUHUHFCYSA-N 311.223 1.986 10 10 DDCE CC[C@@H](NC(C)(CO)CO)c1cc(Br)ccc1O 125717351 BFXVJHFFSZNNSO-LLVKDONJSA-N 318.211 1.939 10 10 DDCE COc1ccc(N2CCN(C(=O)Cc3ccccn3)CC2)cc1 74723930 XQMDDSMEKXAPDF-UHFFFAOYSA-N 311.385 1.982 10 10 DDCE C[C@H](O)CN1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)C1 249115840 SEQUALHKJXZPKH-PBYRWIMMSA-N 320.389 1.025 10 10 DDCE Cc1c(/C=C\C(=O)NCCc2ccc(O)c(O)c2)cnn1C 255356827 LZMJKPRCQXSFHY-XQRVVYSFSA-N 301.346 1.512 10 10 DDCE CC(=O)C(=O)COC(=O)C(F)(F)Oc1ccc(C=O)cc1 808516061 XIWVJAQCIVZJIG-UHFFFAOYSA-N 300.213 1.172 10 10 DDCE COC[C@@H]1CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 292978003 HRSBRSXFVXZUFN-INIZCTEOSA-N 301.390 1.993 10 10 DDCE COc1cc([N+](=O)[O-])cc([C@H](CF)N2CCOCC2)c1O 575294429 RSKABWROPFRDNV-NSHDSACASA-N 300.286 1.652 10 10 DDCE C[C@H](NC(=O)NCC[C@]1(O)CCOC1)c1ccc(N(C)C)cc1 845123288 APRIQQOCFOQMGE-GUYCJALGSA-N 321.421 1.654 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC(C(=O)O)C2)c([N+](=O)[O-])c1 841511268 VDVCVXKCOWKLFF-HYXAFXHYSA-N 306.274 1.302 10 10 DDCE O=C1O[C@H](CNCc2cc3c(cc2O)OCO3)CN1C1CC1 848578214 OJSSLXSSKJALCZ-LLVKDONJSA-N 306.318 1.194 10 10 DDCE Cc1cc(N(C)C)ccc1CN1CN(CCN(C)C)C(=O)[C@H]1C 843427931 DHWSYLDEOZDBQI-OAHLLOKOSA-N 318.465 1.613 10 10 DDCE COc1cccc(CNc2ccnc(N3CCOCC3)n2)c1O 758853230 VYIHYXOPJUYMGK-UHFFFAOYSA-N 316.361 1.640 10 10 DDCE COc1ccc(N2CC[C@@H](Nc3nccn(C)c3=O)C2)cc1 853758191 BFMVTOSJFOMHCD-GFCCVEGCSA-N 300.362 1.480 10 10 DDCE CCn1ncc(CNCc2ccc([N+](=O)[O-])c(OC)c2O)n1 862433335 IVVLUNBFKQXLAE-UHFFFAOYSA-N 307.310 1.210 10 10 DDCE C/C=C/CNC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 863582678 QZWVGMFGKJDHFZ-IDOMTICXSA-N 319.449 1.344 10 10 DDCE C[C@@H]1CO[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 888289583 FTXCBHJRRBCZMG-BLLLJJGKSA-N 322.380 1.704 10 10 DDCE CCC(CC)N1C[C@H](C(=O)NCc2cc(O)ccc2O)CC1=O 1303223331 KMWFLPXMZLRMPO-GFCCVEGCSA-N 320.389 1.751 10 10 DDCE C[C@H](N)c1ccc(N2CC(NS(C)(=O)=O)C2)c(Cl)c1 703151347 NHYABOBTNIDWKT-QMMMGPOBSA-N 303.815 1.098 10 10 DDCE COc1ccc([C@@H](C)N(C)[C@@H](C)CS(C)(=O)=O)c(O)c1 688542739 JBUNICRPWJXDPK-WDEREUQCSA-N 301.408 1.827 10 10 DDCE C/C(=C\C(=O)N1CCCc2ccc(C(N)=O)nc21)c1cnccn1 1437444708 LAIOFMDGHSBOIT-PKNBQFBNSA-N 323.356 1.353 10 10 DDCE COc1cc([C@H]2CNCCN2C(=O)OC(C)(C)C)cc(O)c1O 1535974743 JETLFICKIIXREB-LLVKDONJSA-N 324.377 1.988 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cccc2oc(O)nc12 1471661980 JMMYRTPURKZRSW-UHFFFAOYSA-N 300.270 1.875 10 10 DDCE COc1ccc(CNC[C@H](C)N(C)C(=O)c2cnn[nH]2)cc1C 1482305772 YHLJMHGSZYQZNA-LBPRGKRZSA-N 317.393 1.372 10 10 DDCE C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ncnn1C 1626883398 FMPYRYHXDQOCHG-ZETCQYMHSA-N 318.358 1.932 10 10 DDCE CN(C)c1ccc(CNC(=O)c2ccc3nc(O)[nH]c3n2)cc1 1623311190 PUDAGDYKVJXKTP-UHFFFAOYSA-N 311.345 1.660 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](O)C(F)(F)C2)cc1 1632395982 HGOHBVQHFKIULQ-SNVBAGLBSA-N 312.276 1.691 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cccnc1-n1cccn1 1637122613 JWQGEDOKGFARDA-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE NC(=O)[C@]12CCC[C@H]1CN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 1639605036 LAIPLHMINDBRHM-CIKAFNSTSA-N 316.357 1.225 10 10 DDCE CCC1(C(=O)NC[C@@H](O)CNCc2ccc(OC)c(C)c2)CC1 1667888937 YMBGCLPWASUIQO-HNNXBMFYSA-N 320.433 1.761 10 10 DDCE O=C(Nc1ccc([N+](=O)[O-])cc1O)c1cc(O)c(O)c(O)c1 1865876547 RXDRULUBTFBZHJ-UHFFFAOYSA-N 306.230 1.670 10 10 DDCE CN(Cc1ccc(Cl)cc1O)[C@@H]1CCN(S(C)(=O)=O)C1 1205951033 GEUGLPNZOUZUAM-GFCCVEGCSA-N 318.826 1.511 10 10 DDCE C[C@H](O)c1ccc(N(CC(N)=O)Cc2ccccc2)cc1O 1931974473 OWSYVRVSGMVADH-LBPRGKRZSA-N 300.358 1.937 10 10 DDCE CS[C@H]1CC[C@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 235118558 SWTJFNDAGPCPNF-STQMWFEESA-N 300.449 1.972 10 10 DDCE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)COc1ccc(N)cc1 1977673296 YDSUACAZOYFRRQ-LLVKDONJSA-N 323.393 1.677 10 10 DDCE CC(C)(C)OC(=O)NCc1nnc2n1CCN(CCN=[N+]=[N-])C2 1994046844 MZFWKOHTLBPUDR-UHFFFAOYSA-N 322.373 1.429 10 10 DDCE C[C@@H](O)c1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c(F)c1 2148784652 SAAVFJOWLGVPBN-MNOVXSKESA-N 301.383 1.750 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CC4CC3C4)c(Br)cc21 2034318588 SUMIRLQMRGAJAH-LBVLNNNDSA-N 308.179 2.000 10 10 DDCE CC(C)S(=O)(=O)C[C@H](C)NCc1cc(F)cc(F)c1O 2170598856 AUDNZONLOYXFSE-VIFPVBQESA-N 307.362 1.972 10 10 DDCE CNC(=O)[C@@H]1CCN(c2ccc(CN)cc2Br)C1 398517574 PUIDQGAFMWUUDV-SNVBAGLBSA-N 312.211 1.480 10 10 DDCE CC1(C)CN(c2cc(Cl)c(CN)cc2F)C[C@@H](CO)O1 2177376594 HAJRNFVSRWQGEE-JTQLQIEISA-N 302.777 1.914 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H](c4ccon4)C3)c2n1 2063228300 XAKOSYBIDUOYPY-JTQLQIEISA-N 313.317 1.361 10 10 DDCE CO[C@@H]1C[C@@H](NCc2c(O)cccc2Br)C[C@@H]1O 2067183455 PAXXATQTOOMBAJ-AQUOVQTQSA-N 316.195 1.783 10 10 DDCE COC(=O)[C@@H](C)CS(=O)(=O)Nc1ccc(O)c(Cl)c1 271930975 IIXCZTPBQQERON-ZETCQYMHSA-N 307.755 1.596 10 10 DDCE O=C(N[C@@H]1CCC=C1Br)c1cc(O)c(O)c(O)c1 2076082459 ULFKLTVXQHOBGG-MRVPVSSYSA-N 314.135 1.974 10 10 DDCE C[C@@H]1O[C@@H](C)C(=O)N(c2ccc(N)c(Br)c2)C1=O 2086187593 PBJHDIGYDGZIQX-BQBZGAKWSA-N 313.151 1.698 10 10 DDCE [N-]=[N+]=N[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)CC1 2099332574 JOSCYFWVVRUPPA-SSDOTTSWSA-N 301.294 1.548 10 10 DDCE CSc1ncc(CNC(=O)C2CCN(CCN)CC2)s1 2284506807 IMBLLEIVYBDZOW-UHFFFAOYSA-N 314.480 1.152 10 10 DDCE CSc1ncc(CN=c2[nH]c(NN)ncc2C2CC2)s1 2284726128 RWJUHHBAFLOCJZ-UHFFFAOYSA-N 308.436 1.852 10 10 DDCE CC(=O)N1CC(NCc2ccc(C)c(Br)c2O)C1 2327793539 VNALFUUDJZBVIE-UHFFFAOYSA-N 313.195 1.783 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(Cl)c1 2336349035 CRKZFCUIQIJXEK-ZDSQKVDBSA-N 300.811 1.593 10 10 DDCE Nc1cc(Cl)c(N2C(=O)[C@@H]3COC[C@@H]3C2=O)c(Cl)c1 2340236770 DFMROMIWIRFXFH-KNVOCYPGSA-N 301.129 1.711 10 10 DDCE NCc1cc(F)c(N2C[C@H]3C[C@H](O)[C@H](O)[C@@H]2C3)cc1Cl 2355630459 PMRDIJCZYJJVPF-SPEPIWJRSA-N 300.761 1.258 10 10 DDCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1CCC(=O)N(C)C1=O 316257720 FVPWDLMMTODORG-IJLUTSLNSA-N 302.374 1.986 10 10 DDCE CC[C@@]1(C)CN(CCOCCN)c2cc3c(cc2N1)OCCO3 75280844 YSMDXMJYRGHAIV-KRWDZBQOSA-N 321.421 1.834 10 10 DDCE Cc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCC3)c(O)c1O 182819050 BCVJZRNJINICJR-JTQLQIEISA-N 316.361 1.825 10 10 DDCE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)CC1=O 373123840 JRAHAJJOPBWEDF-DDDRSSSASA-N 316.357 1.237 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@H](CC(N)=O)C2)cc1 806324537 IVEVOHCKLIRAPO-CYBMUJFWSA-N 304.394 1.160 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 808532560 BORNSKQPAPMPAR-UHFFFAOYSA-N 306.314 1.957 10 10 DDCE O=S(=O)(C[C@@H]1CCCCN1)Nc1ccc(O)cc1Cl 722249996 YPIDWSPCQPERHJ-VIFPVBQESA-N 304.799 1.929 10 10 DDCE CCN(CC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCOC1 839604167 KSDVIRFJBBGJRR-MRXNPFEDSA-N 305.422 1.480 10 10 DDCE C[C@H](NC(=O)[C@]1(C)C[C@H](O)CN1C)c1ccc(N(C)C)cc1 907494029 WWSFHTBZWGCFKN-NUTKFTJISA-N 305.422 1.385 10 10 DDCE CN1CCC(O)(CNC/C=C\c2ccc(N(C)C)cc2)CC1 835040825 SIYVHJVUFJEUNT-PLNGDYQASA-N 303.450 1.812 10 10 DDCE CN(C)c1ccc(/C=C/CNCCS(=O)(=O)C2CC2)cc1 840967216 XVFJWWBICRFHFX-ONEGZZNKSA-N 308.447 1.933 10 10 DDCE O=C(NCc1ccccc1O)N[C@H]1CCCN2CCSC[C@H]12 915518451 ULGMODXHFGRUQB-UONOGXRCSA-N 321.446 1.771 10 10 DDCE C[C@@H](NC(=O)C[C@@]1(C(=O)O)CCOC1)c1ccc(N(C)C)cc1 849181892 XWCWFKVEQIPXBM-PXAZEXFGSA-N 320.389 1.811 10 10 DDCE Cc1ccc(C(=O)N(C[C@@H]2CCC(=O)N2)C(C)C)c(O)c1O 840559665 NQEQZSBEPCVLDO-NSHDSACASA-N 306.362 1.535 10 10 DDCE OCC1CCN(c2ccc(CNC[C@@H](O)C3CC3)cc2)CC1 843066056 RSQSVXLTNQSTLM-GOSISDBHSA-N 304.434 1.756 10 10 DDCE C[C@H]1CNCC[C@@H]1NC(=O)NCCCSc1nccs1 841856866 LLSHVEDDJJDSFY-QWRGUYRKSA-N 314.480 1.923 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCn2ccnc2C1 922075865 DYSCUEPNZCLJAQ-SNVBAGLBSA-N 304.325 1.542 10 10 DDCE CCCOc1ccc(CNC[C@@]2(CO)COCCN2C)cc1C 922533433 MGRPFPGMLCWMSD-GOSISDBHSA-N 322.449 1.567 10 10 DDCE COCCN1CCC[C@@H]1CNC(=O)NCc1cc(C)ccc1O 858233728 AOBDDLQABLFMQI-OAHLLOKOSA-N 321.421 1.611 10 10 DDCE C[C@H]1CN(C(=O)CN(C)Cc2ccccc2O)CC(C)(C)O1 929976506 OZZAIPQBGTYJMX-ZDUSSCGKSA-N 306.406 1.850 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc2c1CC(=O)N2 854323524 BKWORBOORUDBJF-UHFFFAOYSA-N 324.384 1.914 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1ccn(C2CCOCC2)n1 860243206 GQDQXZIDXAZQRP-UHFFFAOYSA-N 317.345 1.576 10 10 DDCE CNC(=O)[C@@H](NC(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)C 773397899 UAPYUCADYVDKLB-DOMZBBRYSA-N 320.437 1.883 10 10 DDCE C[C@@H](NC(=O)c1cccnc1C(N)=O)c1ccc(N(C)C)cc1 787532920 JGQOCKUNNNTXBB-LLVKDONJSA-N 312.373 1.738 10 10 DDCE CN(Cc1cccc(Br)c1O)C1CS(=O)(=O)C1 895401133 UMLGCVZFRKPHPI-UHFFFAOYSA-N 320.208 1.384 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@]23CCOC3=O)cc1 1154854890 BZGXXDHNVRFTCI-OAHLLOKOSA-N 316.317 1.771 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccnc(-n2cncn2)c1 1153879688 VDTAZEGCYTWUIC-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE COC(=O)[C@@H](Cc1cncs1)NC(=O)c1cccc(O)c1O 1154184396 YLJPAHFCRYUUDJ-SNVBAGLBSA-N 322.342 1.068 10 10 DDCE Oc1ccc2c(c1)O[C@@H]1c3ccc(O)c(O)c3CO[C@@H]1[C@@H]2O 59200522 AQPFFYOIRKEBDI-BZUAXINKSA-N 302.282 1.869 10 10 DDCE biogenic,in-vitro Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1C[C@@H]1C 1321666949 YLAGJAZCQRTKHO-FZMZJTMJSA-N 303.406 1.449 10 10 DDCE O=C(CC1COC1)NCc1ccc(N2CCC(O)CC2)cc1 1332212330 FOUVNGPUGWJSIN-UHFFFAOYSA-N 304.390 1.300 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)cc1F 1261446431 ZTJAUXKXLDRIGD-CLLJXQQHSA-N 319.380 1.423 10 10 DDCE O=C(NCc1ccccc1O)c1cc2c(nc1O)CCC[C@H]2O 1465990941 XYEIDNJBSHULON-OAHLLOKOSA-N 314.341 1.793 10 10 DDCE CN(Cc1ccccc1O)C(=O)/C=C\c1ccc(C(N)=O)o1 1465844176 HAIKZFMHTLOMSI-CLFYSBASSA-N 300.314 1.756 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc2c[nH]nc2c1 1611430690 GEVXOUAQXNWEHJ-SECBINFHSA-N 312.329 1.730 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCOC[C@H]1CC(F)F 1634899460 QABWIISNSPZFOY-SNVBAGLBSA-N 301.289 1.523 10 10 DDCE CC[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNCc1ccc(OC)c(C)c1 1497059597 XVCQDGHRVYBIGH-OWCLPIDISA-N 320.433 1.616 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1CCN1C(=O)c1ccc(O)c(O)c1 1982313761 LWFMZBVZFVPKSB-NSHDSACASA-N 322.361 1.837 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NCc1ccc(O)c(O)c1O 1986712915 ORUOIOSCCZVVHG-QWRGUYRKSA-N 324.377 1.949 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)c1cc(O)c(O)c(O)c1 1988130631 LMCCRYKQUAGYDA-IUCAKERBSA-N 324.333 1.199 10 10 DDCE NCc1ccc(N2C[C@H]3CCCS(=O)(=O)[C@H]3C2)cc1Cl 2145064160 MBAJKLIHVSZZKK-RISCZKNCSA-N 314.838 1.812 10 10 DDCE NCc1ccc(N2C[C@H](F)[C@@H](CO)C2)c(Br)c1 2008017673 OHYUCTVUYQKNCJ-KOLCDFICSA-N 303.175 1.674 10 10 DDCE O=C1CCN(c2ccc(CO)c(Br)c2)CCCN1 2028682452 GYUDCWPTXFYIRL-UHFFFAOYSA-N 313.195 1.658 10 10 DDCE C[C@@H](CC(N)=O)N(C)Cc1cc(Br)cc(F)c1O 2033937862 KOQNNMNUCAZJSK-ZETCQYMHSA-N 319.174 1.990 10 10 DDCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)CCCOC 71233814 MXPKKGGEZKWGLK-UHFFFAOYSA-N 300.424 1.847 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@@H](CO)C2)cc1Br 316549247 MFUIVOZXGZHLSC-IGJMFERPSA-N 315.211 1.258 10 10 DDCE C[C@H]1CN(c2ccc([C@H](C)N)cc2Br)CC(=O)N1 387271281 MCUQPTVUHFIMNY-IUCAKERBSA-N 312.211 1.794 10 10 DDCE CCN(c1c(F)cc(CN)cc1F)[C@@H](C)CS(C)(=O)=O 2170423837 DHIXHPADTOHWTB-VIFPVBQESA-N 306.378 1.683 10 10 DDCE CCCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1c(O)cccc1O 2170588889 CINJVBDZRHHFSU-MNOVXSKESA-N 301.408 1.962 10 10 DDCE O=C(O)[C@@H](NCc1cc(Br)ccc1O)C1COC1 2042973042 VDILGKKCZUTNQF-NSHDSACASA-N 316.151 1.344 10 10 DDCE CNCc1ccc(N2CC(=O)N[C@@H]3CC[C@@H]32)c(Br)c1 2112063850 ZBJNTYAFLWWWFD-YPMHNXCESA-N 324.222 1.636 10 10 DDCE C[C@@H]1CC[C@H](CNS(=O)(=O)Cc2ccc(N)cc2)S1 2095323992 NPPWBFSCPGGYLQ-ZWNOBZJWSA-N 300.449 1.972 10 10 DDCE CSc1ncc(CNC[C@H](O)CN2CCCCC2=O)s1 2284502824 XQRIPDFVJUCOCP-JTQLQIEISA-N 315.464 1.328 10 10 DDCE COCCN(CCN)Cc1ccc(C)c(Br)c1O 2327551292 CTTDOTLLDYKSKN-UHFFFAOYSA-N 317.227 1.870 10 10 DDCE Cc1ccc(CN2C[C@@H](N)C[C@H](O)C2)c(O)c1Br 2327621700 QBMFQRXPOAOUBV-QWRGUYRKSA-N 315.211 1.357 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2cn3cccnc3n2)c1 103529588 HZAUSXRXJOZAIQ-JTQLQIEISA-N 312.329 1.935 10 10 DDCE C[C@@H](Cn1cncn1)NC(=O)NCc1ccc(N(C)C)c(F)c1 102010452 XNCXQSQYXCYOON-NSHDSACASA-N 320.372 1.371 10 10 DDCE Nc1ccc(CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 21519994 ZCXJPZWWPUFRCF-UHFFFAOYSA-N 305.359 1.097 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cn[nH]c1 37732411 AUUWJWKUOPXMEA-UHFFFAOYSA-N 308.407 1.687 10 10 DDCE CC1(C)C(=O)NCCN1c1ccc(CN)c(Br)c1 228152584 LZBYMJCNMJXWCM-UHFFFAOYSA-N 312.211 1.623 10 10 DDCE O=C1CC[C@@H](c2cc(I)ccc2O)N1 238719220 CANSMXKBHZBBOA-QMMMGPOBSA-N 303.099 1.948 10 10 DDCE COC[C@H](O)[C@H](N)c1c(Br)ccc(Cl)c1O 95805137 XIKBLJSNECZDHU-CBAPKCEASA-N 310.575 1.815 10 10 DDCE COc1c(I)cc(O)c2c1CC[C@H]2N 238417320 LNRBESPXQVNMSK-SSDOTTSWSA-N 305.115 1.951 10 10 DDCE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccccc1O 264507809 YYTJNYJAQPFVAI-WCQYABFASA-N 322.430 1.956 10 10 DDCE O=C1NCC[C@@H]1NCc1ccc(OCc2ccccc2)cc1O 826773532 AIMMLAHLWMBQQU-INIZCTEOSA-N 312.369 1.949 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@](C)(CCF)C(=O)O)cc1 908758925 SYIFZQDMRDBQGM-HNNXBMFYSA-N 311.357 1.755 10 10 DDCE CC(C)N(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@@H](C)O 730422795 DFRGALCGNVCVAK-OAHLLOKOSA-N 321.465 1.802 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCN3C(=O)NC(=O)[C@@H]3C2)cc1 835045789 ZDTJXYPPWILUJH-JZIMQPMSSA-N 314.389 1.002 10 10 DDCE C[C@H]1CN([C@@H](C)CNC(=O)NCc2ccccc2O)C[C@@H](C)O1 847302783 QJGXLFGFARRRLN-MELADBBJSA-N 321.421 1.689 10 10 DDCE CN(Cc1cc2c(cc1O)CCC2)C[C@H]1CCS(=O)(=O)C1 740867380 RLAMJLRVTNMLFZ-GFCCVEGCSA-N 309.431 1.747 10 10 DDCE CO[C@]1(CNC(=O)NCc2c(O)cccc2F)CCSC1 925388382 MEUXBWACTNHZAH-AWEZNQCLSA-N 314.382 1.853 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)[C@H](C)OC)C2)cc1 852272167 YOSLRHJKBVCEOK-IHRRRGAJSA-N 321.421 1.997 10 10 DDCE CC(C)(C)S(=O)(=O)CC(=O)NCc1c(O)cccc1F 928706536 WARKCBFLLMAKAZ-UHFFFAOYSA-N 303.355 1.361 10 10 DDCE O=C1CC[C@H]2CN(Cc3cc4c(cc3O)CCC4)CC[C@H]2N1 853556005 UXZIVBUGBFGDSA-GOEBONIOSA-N 300.402 1.981 10 10 DDCE C[C@H](NC(=O)N1CCC(=O)N(C)CC1)c1ccc(N(C)C)cc1 854003289 HGMHNXKBDGBTEF-ZDUSSCGKSA-N 318.421 1.687 10 10 DDCE C[C@H](NC[C@@]12COCCN1C(=O)OC2)c1ccc(F)cc1O 866521174 LEQDLCGGWXRXLW-BONVTDFDSA-N 310.325 1.403 10 10 DDCE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)c2ccc(C)c(O)c2O)n1 863752932 ITSBJMVVRMCLOY-GXFFZTMASA-N 319.317 1.358 10 10 DDCE CCS(=O)(=O)C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O 868375509 QVHBHRAHAWDCSH-MNOVXSKESA-N 314.407 1.576 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3coc(OC)n3)C2)cc1 862158667 KERUASNSYYAYMH-LLVKDONJSA-N 317.345 1.701 10 10 DDCE O=C(/C=C/COC1CCOCC1)N1Cc2cccc(O)c2C1 871199173 NGXQGZSHBGSPCH-GORDUTHDSA-N 303.358 1.986 10 10 DDCE CC(=O)C1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 872668927 ICZOVPVGTREYCS-UHFFFAOYSA-N 319.317 1.731 10 10 DDCE CS(=O)(=O)[C@H]1C[C@@H](CNCc2cccc(Cl)c2O)C1 1877117690 WZTGDDGFRCBRDU-JGZJWPJOSA-N 303.811 1.958 10 10 DDCE CNC(=O)[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)C(C)C 785582909 JBKHUZSNCFTKQM-KRWDZBQOSA-N 318.465 1.299 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cc1 1148396588 AVYQYUDMICIOCZ-VXGBXAGGSA-N 317.349 1.623 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)c1cnc(O)c([N+](=O)[O-])c1 1452947711 SCFKJNMIDNVNHU-UHFFFAOYSA-N 323.692 1.984 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cc2n(n1)CCCC2=O 1545669282 SPASICUMBRPJEU-UHFFFAOYSA-N 315.329 1.243 10 10 DDCE O=C(NCc1cn(C2CCC2)nn1)c1c(F)ccc(O)c1O 1611538373 TULJFQVGXPGXDG-UHFFFAOYSA-N 306.297 1.483 10 10 DDCE Cn1cc(Cl)c(CNC(=O)/C=C/c2ccc(O)c(O)c2)n1 1627927425 INPYKXYFOFBCON-HWKANZROSA-N 307.737 1.814 10 10 DDCE COc1ccc(C=O)cc1C(=O)NCCc1ccc(O)c(O)c1 1622753199 LHVUHRDCWVCLAK-UHFFFAOYSA-N 315.325 1.891 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCC(=O)NC1 1633819515 QRIIEEBMPNALSE-PWSUYJOCSA-N 306.362 1.061 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCC3(C2)OCCO3)cc1 1566944680 PHAJBOTWZIJLRS-GFCCVEGCSA-N 318.333 1.874 10 10 DDCE CNC(=O)CN1CCCN(Cc2ccc(N(C)C)c(C)c2)CC1 1644582432 HUJNQQDZVNQBSZ-UHFFFAOYSA-N 318.465 1.315 10 10 DDCE C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1nnc2n1CCC2 1649396480 KTOFITOJTXXGNN-SSDOTTSWSA-N 306.297 1.266 10 10 DDCE Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(O)ccc1O 1593873756 ZOSLXHPGXMKXER-UHFFFAOYSA-N 303.274 1.518 10 10 DDCE COC(=O)[C@@H](C)CS(=O)(=O)Nc1ccc(O)cc1Cl 2127133669 CCGVDHXGJPXHPY-ZETCQYMHSA-N 307.755 1.596 10 10 DDCE CN(c1ccc(CN)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 163681168 OLQOUJUDROXXDL-JTQLQIEISA-N 322.352 1.787 10 10 DDCE COC(=O)c1c(O)ccc2c1C(=O)c1ccc(C)c(O)c1C2=O 13334442 VPHNLICITYBTRH-UHFFFAOYSA-N 312.277 1.968 10 10 DDCE biogenic,in-vitro Cc1cc(=O)c(O[C@@H](C)C(N)=O)cn1Cc1ccc(N)cc1 1857915085 FUMQHQRRKQWTID-NSHDSACASA-N 301.346 1.040 10 10 DDCE OCCN(c1ccc(CO)cc1Br)C1COC1 1915655377 IXGQLQMALLOVFX-UHFFFAOYSA-N 302.168 1.139 10 10 DDCE OCCC[C@@H](CO)NCc1cccc(Br)c1O 1942762458 RUJMBDATUVLINO-JTQLQIEISA-N 304.184 1.378 10 10 DDCE CCCOc1cc(N2CC(NC(=O)C(F)(F)F)C2)ccc1N 1977934620 QUANEWQKCFPPES-UHFFFAOYSA-N 317.311 1.925 10 10 DDCE C[S@](=O)C1CN(c2ccc(CN)c(Br)c2)C1 1981169297 ASQPDQBQJGGVOR-INIZCTEOSA-N 303.225 1.475 10 10 DDCE C[C@@H]1N(Cc2ccccc2)CC[C@@]1(NCCCN=[N+]=[N-])C(N)=O 309920086 VNWOKDWQJLDLQX-BBRMVZONSA-N 316.409 1.795 10 10 DDCE NC[C@@H]1CN(Cc2ccc(Br)cc2O)CCO1 691486923 KBZLJYIFVBMUHE-LLVKDONJSA-N 301.184 1.314 10 10 DDCE NCc1ccc(N(CCO)CCCO)c(Br)c1 385405907 QNJRMNVWTQKMID-UHFFFAOYSA-N 303.200 1.089 10 10 DDCE CNCc1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1Cl 2206703523 JEKMHTXVJBPUSW-UHFFFAOYSA-N 324.780 1.885 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@H]2[C@H](O)CO)c(Br)c1 2258345904 NCIYCWBEXCVWON-OXHMUOHRSA-N 315.211 1.401 10 10 DDCE CSc1ncc(CNS(=O)(=O)C2CCC(N)CC2)s1 2269094833 VBSSGUDXBSSAAD-UHFFFAOYSA-N 321.493 1.554 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H](C)[C@H](C)C(=O)O)s1 2269120273 ZFEDZZMDFOHRDM-BQBZGAKWSA-N 303.409 1.773 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)C[C@@H](N)C2(C)C)s1 2347087523 RWWJYKUDAMKLRE-PELKAZGASA-N 301.437 1.535 10 10 DDCE O=C1N[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)CS1 172633391 AOMGBTJZUQXKKK-CYBMUJFWSA-N 305.403 1.728 10 10 DDCE CSc1ncc(CNC(=O)NC(=O)C=C(C)C(=O)O)s1 2360751775 YUVRPLWBLOJMHO-UHFFFAOYSA-N 315.376 1.222 10 10 DDCE C[C@@H](O)CN1CCN(Cc2cc3c(cc2O)OCO3)C[C@H]1C 120655693 BPFUPHAZFAYBNS-VXGBXAGGSA-N 308.378 1.008 10 10 DDCE Nc1cccc(-c2csc(NS(=O)(=O)c3cn[nH]c3)n2)c1 37744414 QOLFRFKSJGJKKA-UHFFFAOYSA-N 321.387 1.916 10 10 DDCE Cc1ccc(C(=O)NCc2ccnc(-n3ccnc3)c2)c(O)c1O 182245552 XLTFSDIDEOLVBO-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H](OC)CN2)cc1 187914073 YLHOHGAOCDSAFX-JKSUJKDBSA-N 305.422 1.526 10 10 DDCE CNC(=O)CC(=O)N(Cc1ccco1)Cc1ccccc1O 184296310 SFWASMSVJMVBQM-UHFFFAOYSA-N 302.330 1.650 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)c1O 246978043 JMAIBVSSYIMEQC-RYUDHWBXSA-N 324.396 1.621 10 10 DDCE Cc1cc(Br)cc(CN[C@H]2CCCNC2=O)c1O 295119454 WISVRUTZFZMPNX-NSHDSACASA-N 313.195 1.831 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(NC(=O)NC(C)C)c1 808503218 HOUZSEGRYMJJDX-UHFFFAOYSA-N 306.318 1.531 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(COC2CCOCC2)c1 808527525 JDDPPHSKMUTDJI-UHFFFAOYSA-N 320.341 1.697 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@H]1NCc1cc(Cl)cc(C)c1O 826986108 QZOHVRODYOKYAW-NEPJUHHUSA-N 319.810 1.256 10 10 DDCE C[C@H](NC(=O)[C@H]1CCCN(C)C1=O)c1ccc(N(C)C)cc1 828860285 AKDQPBZFSRSTJE-SWLSCSKDSA-N 303.406 1.798 10 10 DDCE O=C(COC(=O)c1cnc(C2CC2)nc1)c1ccc(O)c(O)c1 837889520 NXNHQVYGUOUVHV-UHFFFAOYSA-N 314.297 1.805 10 10 DDCE Oc1c(F)cccc1CN1C[C@@H]2CC[C@H](C1)N2C1CCNCC1 903980059 FMNBTHPIDDYMNG-IYBDPMFKSA-N 319.424 1.932 10 10 DDCE CCO[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)CN(C)C 913927056 SURVCFXKQQKUBL-MRXNPFEDSA-N 322.453 1.519 10 10 DDCE COc1ccc(N2CCC(NC(=O)C3(OC)CC3)CC2)cc1 843542277 RERBLHZRZIJOEQ-UHFFFAOYSA-N 304.390 1.959 10 10 DDCE C[C@H](NC(=O)N[C@H]1C[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 845123802 DXGVFUBDPFKXBX-WCFLWFBJSA-N 304.394 1.377 10 10 DDCE CN(C)c1cccc(S(=O)(=O)NCCc2ccc(N)cc2)c1 842823237 QKAVZTBCDZHXLA-UHFFFAOYSA-N 319.430 1.856 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3ccn(C)n3)C2)cc1 855228681 CXXSZSOZJHYZJJ-GFCCVEGCSA-N 300.362 1.437 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N(C)[C@H](C)CCO)C2)cc1 854295776 CAIXEQNKNSIRMW-KGLIPLIRSA-N 321.421 1.686 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@]3(N)CC3(F)F)CC2)cc1 867953863 HASPJORLAOUZNL-CQSZACIVSA-N 311.332 1.080 10 10 DDCE O=C1OCC[C@@H]2CN(Cc3cc4c(cc3O)OCO4)CCN12 763314878 OYCZYGNPOHZZFX-LLVKDONJSA-N 306.318 1.147 10 10 DDCE CS(=O)(=O)[C@H]1C[C@@H](CNCc2cc(Cl)ccc2O)C1 1877115814 JJHCNTKCXNOHPO-WVSHTKLVSA-N 303.811 1.958 10 10 DDCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1cnn(Cc2ccccc2)c1 394497478 XBNUWKKNSSQISO-AWEZNQCLSA-N 313.365 1.748 10 10 DDCE O=C(CN1CSCCSC1)NCc1cc(O)ccc1O 1176754760 GSDWMKAEPKSMAI-UHFFFAOYSA-N 314.432 1.411 10 10 DDCE CN(CCOCCN)Cc1c(O)cccc1Br 706884785 GZLBDVHBKQUOOC-UHFFFAOYSA-N 303.200 1.562 10 10 DDCE CC(C)OC[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1296648483 LSQYNAIDRXQUCK-ZDUSSCGKSA-N 309.362 1.293 10 10 DDCE Cc1c(C(=O)NCc2ccc(O)cc2O)cnn1-c1ccccn1 1451763741 BPVMXQOKGXECRH-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE O=C(CCC(=O)c1ccccn1)NCc1cc(O)ccc1O 1471661249 KUEDOMKCAUUECG-UHFFFAOYSA-N 300.314 1.772 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](O)c2cnn(C)c2)c1 1622778905 AQLPNEDTCIOBTR-OTYXRUKQSA-N 305.334 1.045 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)CCc1ccccc1 1638435659 NABSCICJPLJOGQ-OAHLLOKOSA-N 315.369 1.750 10 10 DDCE O=C(CCCc1nc(C2CC2)no1)NCc1cc(O)ccc1O 1637126391 XCHNILHYVOSUKR-UHFFFAOYSA-N 317.345 1.997 10 10 DDCE C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](C)S1=O 1567596038 FTOGKODKYBGQDT-UWVGGRQHSA-N 322.390 1.831 10 10 DDCE Cc1ccccc1C(=O)NCC(=O)NCc1ccc(O)c(O)c1 155388330 LANUKFIATMZCIN-UHFFFAOYSA-N 314.341 1.452 10 10 DDCE O=C(O)[C@@H](CO)N1C(=O)/C(=C\c2ccsc2)SC1=S 1858596046 NGCNQQLPUARCBH-KOERYYGSSA-N 315.397 1.395 10 10 DDCE CN(CCF)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 1917037184 BTARCOVSNOGQAI-SNVBAGLBSA-N 302.147 1.807 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@@]2(N)C[C@H]2C(=O)O)c1 1952899966 RLPKLXVGQCCDEY-BONVTDFDSA-N 308.334 1.998 10 10 DDCE NCc1ccc(N2CC[C@@H]3[C@H](CO)[C@H]3C2)cc1Br 2032183866 FNYMBPGNFXKLSK-AVGNSLFASA-N 311.223 1.972 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cc(CO)ccn1 2157779241 HCZIZNDARFTLML-UHFFFAOYSA-N 314.750 1.734 10 10 DDCE NCc1ccc(N2CCC[C@@](O)(CO)C2)cc1Br 313655789 WWTMXNXBRYQTQG-ZDUSSCGKSA-N 315.211 1.231 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@](O)(CO)C2)c(Br)c1 314091082 CISHNFIDLMQEHV-TVQRCGJNSA-N 315.211 1.402 10 10 DDCE Oc1cc(Br)ccc1CN[C@H]1COCC[C@H]1O 710940299 KIPBBCUJSPNUOJ-WDEREUQCSA-N 302.168 1.394 10 10 DDCE NCc1ccc(N2CCOC[C@@H](O)C2)c(Br)c1 399955922 XJEWWUJYMCHTAC-JTQLQIEISA-N 301.184 1.105 10 10 DDCE CN(C)C[C@@H]1C[C@@H](O)CN1c1cc(Cl)c(CN)cc1F 2177376516 GCZFEFPVKKKJMY-WDEREUQCSA-N 301.793 1.439 10 10 DDCE NCc1cc(F)c(N2[C@H]3CC[C@H]2[C@H](O)[C@@H](O)C3)cc1Cl 2190461577 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Cc1ccc(CNC(=O)[C@@H]2CC[C@H]2N)c(O)c1Br 2327790662 WFMOGPJBZGBYLX-NXEZZACHSA-N 313.195 1.817 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCC[C@@H](N)C2)s1 2345408581 OWPGVOMFLAKEOS-PELKAZGASA-N 301.437 1.679 10 10 DDCE CCCNCc1ccc(N(C)[C@H]2CCS(=O)(=O)C2)c(F)c1 36870456 ZUGZDMFKKHLUPC-ZDUSSCGKSA-N 314.426 1.949 10 10 DDCE COc1ccc(CNC(=O)N[C@@H]2CCc3nc[nH]c3C2)c(O)c1 378120881 TXQRCFOQBUISEA-LLVKDONJSA-N 316.361 1.481 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CC1CC1 297867791 OVZULRIUSSJZQN-UHFFFAOYSA-N 303.406 1.579 10 10 DDCE COc1ccc(N2CCC(N3C(=O)N[C@@H](CF)C3=O)CC2)cc1 806672172 SJOTTZXVLQITKW-AWEZNQCLSA-N 321.352 1.554 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C[C@@H]1COCCO1 823576466 OZHSLLZKKYYNAG-CQSZACIVSA-N 309.362 1.173 10 10 DDCE COC(=O)/C=C\c1ccc(N2CN(C)C(=O)[C@H]2C)c([N+](=O)[O-])c1 826798145 PIZVSNZIRHKETH-ONRRBMGISA-N 319.317 1.405 10 10 DDCE CN(C)c1ccc(/C=C\CNC2(C(=O)O)CCOCC2)cc1 904010199 RXDJITJPKFLNHC-ARJAWSKDSA-N 304.390 1.989 10 10 DDCE C[C@@H](NC[C@H]1CN(C2CC2)C(=O)O1)c1cc([N+](=O)[O-])ccc1O 848571130 OMQUMTAJYKJKOK-SKDRFNHKSA-N 321.333 1.934 10 10 DDCE CO[C@@H](CS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C1CC1 842587372 CSQFNVJYVULPKA-LBPRGKRZSA-N 316.335 1.467 10 10 DDCE CC1(C)CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@H]2COC[C@H]2O1 846625135 UZYDWOHGVKHUKH-HQWBGCBWSA-N 319.357 1.516 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](CN)[C@H](c2cc(O)c(O)c(O)c2)C1 687749434 ZIMDZGXSDUIWSG-QWRGUYRKSA-N 324.377 1.713 10 10 DDCE Cc1nc(C)c(CC(=O)NCc2c(O)cccc2F)c(O)n1 928712710 XDACAEFDRRPITM-UHFFFAOYSA-N 305.309 1.503 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](CN)[C@@H](c2cc(O)c(O)cc2O)C1 687741291 SKXVWUGJRAZFSI-ONGXEEELSA-N 324.377 1.713 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCN[C@@H](C)C3)C2)cc1 852844731 ZDYGGQCTXCHXJQ-SOUVJXGZSA-N 317.433 1.778 10 10 DDCE CCOc1ccc(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)c(O)c1 850369307 UQEBIHNDYDMHKR-WCQYABFASA-N 313.419 1.846 10 10 DDCE Oc1cc2c(cc1CN1CC[C@@](O)(C(F)(F)F)C1)[C@H](O)CO2 762184944 PFZCSJATXGORRM-YPMHNXCESA-N 319.279 1.317 10 10 DDCE CCON(CC)C(=O)CNC(=O)N[C@@H](C)c1ccccc1O 868802675 FJSDGKNEFCRPOU-NSHDSACASA-N 309.366 1.552 10 10 DDCE Cc1cc(O)c(CN2CCN(c3nccnn3)CC2)cc1Cl 862443368 ODXVSBSKPJEGLZ-UHFFFAOYSA-N 319.796 1.861 10 10 DDCE CC[C@H](NCC(C)(C)CS(N)(=O)=O)c1ccccc1O 866571252 BUHLZYXTDORWDU-LBPRGKRZSA-N 300.424 1.748 10 10 DDCE CC(=O)N1CCN(Cc2ccc(N3CCOCC3)cc2)[C@@H](C)C1 769449101 XXIBLCHRYNKUGI-HNNXBMFYSA-N 317.433 1.576 10 10 DDCE Cc1cc(CC(=O)NC[C@@H](O)[C@H](C)O)c(C)n1-c1ccccc1 871142536 JGFDCRFPMXGNPF-WMLDXEAASA-N 316.401 1.495 10 10 DDCE COC(=O)[C@H](CC1CCOCC1)NCc1cccc(OC)c1O 895590334 ILJPRJWLJWFQHJ-AWEZNQCLSA-N 323.389 1.849 10 10 DDCE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccc(N=NC(N)=O)cc1 1136290712 XAYPGNQVCVRDSF-KOLCDFICSA-N 317.349 1.575 10 10 DDCE COc1cc(Br)cc(CN2C[C@@H](O)[C@H](C)C2)c1O 897683196 ASVDEIVOBRAPKE-LDYMZIIASA-N 316.195 1.976 10 10 DDCE COc1cccc(C[C@@H](O)C(=O)NCc2cc(O)ccc2O)c1 1303225494 JIGOFDXJDQNIET-MRXNPFEDSA-N 317.341 1.326 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)[C@H](C)C2CC2)cc1C 1320201254 JLYPZFJQHYKEKM-CJNGLKHVSA-N 320.433 1.616 10 10 DDCE Nc1nc(NCc2c(O)cccc2O)nc(C(F)(F)F)n1 1187716517 MIVQTKVSANNTLV-UHFFFAOYSA-N 301.228 1.496 10 10 DDCE O=C(Cc1csc2nccn12)NCc1ccc(O)cc1O 1557084530 CXRLJNFNWZTSSU-UHFFFAOYSA-N 303.343 1.666 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cccc(-n2ccnn2)c1 1626838353 YBUYFEQBZNGYLI-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE Cc1cn2ccnc(C(=O)NCc3c(O)cccc3F)c2n1 1638863722 RIUJUGSPANCTJS-UHFFFAOYSA-N 300.293 1.812 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1F 1630302301 XBTVFNMPVVGOBN-UHFFFAOYSA-N 319.288 1.954 10 10 DDCE COc1cccc(OC)c1CNC(=O)Cc1ccc(O)c(O)c1 1641041972 DPCBPMAVTJDQTP-UHFFFAOYSA-N 317.341 1.974 10 10 DDCE CC(C)[C@@H](C(=O)NCc1c(O)cccc1O)N1CCCC1=O 1645360588 DRVIJZBUHXJHON-HNNXBMFYSA-N 306.362 1.361 10 10 DDCE Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@@H](C)c1ccccc1O 1587451342 QNAKOGCKJIKYSD-VIFPVBQESA-N 324.358 1.432 10 10 DDCE CCn1cc([N+](=O)[O-])c(C(=O)NCc2c(O)cccc2O)n1 1597573405 DNNDDFIBAFOAQG-UHFFFAOYSA-N 306.278 1.152 10 10 DDCE CC(C)(C)N1CCC[C@@H](C(=O)NCc2c(O)cccc2O)C1=O 1597574238 LBOFSWNSGVFVKU-NSHDSACASA-N 320.389 1.751 10 10 DDCE O=C(N[C@@H]1CCCC2(CC1)OCCO2)c1cccc(O)c1O 1965277446 LXYPMEYHWQSWND-LLVKDONJSA-N 307.346 1.903 10 10 DDCE O=C(NC[C@@H]1CSCCS1)c1cc(O)c(O)c(O)c1 2132348243 HFUTVYPLYDGUIJ-MRVPVSSYSA-N 301.389 1.382 10 10 DDCE Nc1ccc(-n2nnc(C(=O)N3CCCc4ccccc43)n2)cc1 1857879232 ZXGDKGMLQCBDNE-UHFFFAOYSA-N 320.356 1.838 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@H](F)C2)c(Br)c1 1944302894 WVIWURLKRIAXDD-HNBZJPLGSA-N 303.175 1.988 10 10 DDCE CN1C[C@H](c2cc(Cl)cc(Br)c2O)NCC1=O 1951963218 CQNVGBHWANCKHN-SECBINFHSA-N 319.586 1.911 10 10 DDCE CN1C[C@H](c2c(O)cccc2NC(=O)OC(C)(C)C)NCC1=O 1952884662 UBMHEALRQDKAFT-LLVKDONJSA-N 321.377 1.842 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(O)c(O)c2)CO1 1982311014 FBACMEGDBJENEG-SNVBAGLBSA-N 324.333 1.379 10 10 DDCE C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCCC[C@@H]1C1OCCO1 2145809998 RMDWBMJWONBHTQ-SWLSCSKDSA-N 319.405 1.823 10 10 DDCE CS(=O)(=O)N1CCC[C@H](N2CCC[C@@H](N=[N+]=[N-])CC2)C1 2155558844 TVFXBYWCQLBTSA-NEPJUHHUSA-N 301.416 1.575 10 10 DDCE O=C1CCC[C@@H](CNCc2cc(Br)ccc2O)N1 2028881193 MWLCGOZCOUBFHQ-NSHDSACASA-N 313.195 1.913 10 10 DDCE C[C@H]1CCN(c2ccc(CN)c(Br)c2)[C@H]1C(N)=O 2029785438 FHWWQUDNVIUGLE-QPUJVOFHSA-N 312.211 1.608 10 10 DDCE CN(Cc1cnnn1C)c1ccc(CN)cc1Br 2038822600 ITAMFGHINTZERD-UHFFFAOYSA-N 310.199 1.673 10 10 DDCE CNC(=O)C1CN(c2ccc(CN)c(Br)c2F)C1 381978083 YNRGBTMWTXTZNV-UHFFFAOYSA-N 316.174 1.229 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2CCC[C@@H]2F)cc1 2175567198 TZMJVXOJDCELRI-QWHCGFSZSA-N 302.371 1.458 10 10 DDCE O=C(NCCSCC(F)(F)F)c1cc(O)c(O)c(O)c1 2188874696 JWLNGHCWPLRXJA-UHFFFAOYSA-N 311.281 1.829 10 10 DDCE NCc1ccc(N2C[C@@H]3C[C@H](C2)CS(=O)(=O)C3)c(Cl)c1 2185675662 BFPCNNIPTQDUNC-TXEJJXNPSA-N 314.838 1.670 10 10 DDCE NC(=O)[C@@H]1CCC[C@H]1NCc1c(O)cccc1Br 2053777134 LLYMFZDHKYPOCA-LDYMZIIASA-N 313.195 1.898 10 10 DDCE Oc1cccc(Br)c1CN1CCO[C@@H]2COC[C@@H]21 2072498396 YPGNSUSNXVCWMZ-WCQYABFASA-N 314.179 1.754 10 10 DDCE O=S1(=O)C[C@@H]2CN(c3ccc(CO)c(Cl)c3)C[C@H]2C1 2087856039 IWTAIGNFENDORB-QWRGUYRKSA-N 301.795 1.313 10 10 DDCE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2ccc(O)c(O)c2)C1 2095711446 MYZUBFDAHAYJEG-ZYHUDNBSSA-N 307.346 1.711 10 10 DDCE C[C@@H](O)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1O 2206687519 WCRCKYVAOULLMR-SSDOTTSWSA-N 307.318 1.272 10 10 DDCE CC1(CS(=O)(=O)N2CCCC[C@@H](CN=[N+]=[N-])C2)COC1 2287122668 DASKLINSUDNGHW-NSHDSACASA-N 302.400 1.765 10 10 DDCE C[C@@H]1C[C@](Sc2nccs2)(C(=O)O)CCS1(=O)=O 2326904601 SZVDYQRGKJMDFT-XCBNKYQSSA-N 307.418 1.656 10 10 DDCE CC1(C)OC(=O)C(=CNc2cc([N+](=O)[O-])ccc2F)C(=O)O1 102769060 IQRLGSWJMWUEOH-UHFFFAOYSA-N 310.237 1.866 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NCCc2cnn(C)c2)c1 103512795 CXSCXSUXHZIJGJ-NSHDSACASA-N 318.377 1.737 10 10 DDCE CO[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 301709744 XELGWCHZZAOUKS-SECBINFHSA-N 307.306 1.541 10 10 DDCE Nc1ccc(O)c(CNS(=O)(=O)c2cc(F)ccc2F)c1 36742771 XSAMJJSQPFPRNT-UHFFFAOYSA-N 314.313 1.731 10 10 DDCE C[C@@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)[C@H](C)CO1 70490625 FITYMPRISBDBFQ-VXGBXAGGSA-N 314.407 1.087 10 10 DDCE C[C@H]1CCCCN1S(=O)(=O)NCCOc1ccc(N)cc1 38079622 WTYQOMBMAQADSM-LBPRGKRZSA-N 313.423 1.356 10 10 DDCE CC(C)CN1C(=O)/C(=C/Nc2ccncc2)C(=O)NC1=S 255657613 WGIYLPBCGXVBEM-YRNVUSSQSA-N 304.375 1.277 10 10 DDCE COC(=O)c1cn(CCNCc2cc(Cl)cc(C)c2O)nn1 285096475 MXGHUEDFOLTFOB-UHFFFAOYSA-N 324.768 1.522 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@@]2(C)CCC(=O)NC2)cc1F 281731826 CUZUUNXJVCQIHV-INIZCTEOSA-N 307.369 1.424 10 10 DDCE CCN(C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(OC)cc1 801522641 XWAAHGPVLDTNCU-ZDUSSCGKSA-N 312.435 1.803 10 10 DDCE COC(=O)[C@@H](CF)NCc1cccc(Br)c1O 809776533 IEPGBIBYWOHLHA-SECBINFHSA-N 306.131 1.755 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)c1cnc(N)s1 722241109 GGIIZHZXSPVJAJ-QMMMGPOBSA-N 313.404 1.813 10 10 DDCE CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C(C)(C)C1=O 588407701 DNLGRPUZYKMJGY-ALCCZGGFSA-N 304.346 1.190 10 10 DDCE COc1ccc(O)c(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)c1 830543712 CBTSQWQAMWDGOY-SNVBAGLBSA-N 301.346 1.545 10 10 DDCE COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@@H](C)N)CC2)cc1 842005641 OFONANINIKMMQW-ZIAGYGMSSA-N 320.437 1.653 10 10 DDCE CCOCCOCC(=O)NCc1c(O)ccc2c1CCCC2 743718482 CZXAJTYWAFYBRS-UHFFFAOYSA-N 307.390 1.940 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@@H](C(N)=O)C1 845449806 FFDBRDHFSPJLIW-BETUJISGSA-N 304.394 1.158 10 10 DDCE COC(=O)C1=CC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 858741200 AXOBDZIXFXGXIW-CQSZACIVSA-N 317.389 1.814 10 10 DDCE Nc1ccc(NC(=O)N[C@H]2CCCN3CCSC[C@H]23)cc1 926141446 DHTJFQXPHWQUNV-UONOGXRCSA-N 306.435 1.970 10 10 DDCE CN(C)c1cc(F)c(CN2CCC[C@](O)(CO)C2)cc1F 862390727 BZVQTLYCRRZISV-OAHLLOKOSA-N 300.349 1.350 10 10 DDCE COCC1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1118940248 LTLNSPKNHYLZEH-UHFFFAOYSA-N 318.373 1.119 10 10 DDCE CC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 773743754 KALZHHGQRPJZQT-BXKDBHETSA-N 324.402 1.066 10 10 DDCE Cc1nc(N[C@H](C)Cc2ccc(O)c(O)c2)nc(N(C)C)n1 782041712 JLMYQQAYNAFEKD-SECBINFHSA-N 303.366 1.700 10 10 DDCE COC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1885560334 BIMWPIXEGWGAQX-LBPRGKRZSA-N 301.347 1.343 10 10 DDCE CNC(=O)c1cccc(C(=O)NCc2cccc(Cl)c2O)n1 1159034636 YXNBTJSWZDQUTB-UHFFFAOYSA-N 319.748 1.730 10 10 DDCE CC(C)(C)OC(=O)NCC(C)(C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043613 XNOOYMSLUVCKDS-XYPYZODXSA-N 312.410 1.803 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2cncnc2)cc1C 1321501523 QFOGGVXOPODRLW-CYBMUJFWSA-N 314.389 1.702 10 10 DDCE CN(C)C[C@@H](CO)NCc1cc(Br)ccc1O 716689377 ILSKCQCNRWFQPF-NSHDSACASA-N 303.200 1.167 10 10 DDCE CN(C)c1ccc([C@@H](NN)c2c(Br)cnn2C)cc1 97796116 TYKXWWSHZJYZBT-GFCCVEGCSA-N 324.226 1.801 10 10 DDCE CCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)=O 1284622764 CLHJGOQFEHBHSI-UHFFFAOYSA-N 305.338 1.447 10 10 DDCE CN(C)C(=O)/C=C/C(=O)NCc1cc(Cl)cc(Cl)c1O 1468670072 WAISYNNWBJPUGK-ONEGZZNKSA-N 317.172 1.960 10 10 DDCE CN(C)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1C=O 1469163681 SNORHPXTBOWCNL-UHFFFAOYSA-N 314.341 1.906 10 10 DDCE O=C(NCc1cccc(Cl)c1O)c1ccc2nnc(O)n2c1 1637227105 NLAAELRBXRDKQM-UHFFFAOYSA-N 318.720 1.724 10 10 DDCE Nc1nnc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)o1 1567671263 XPXAOLKXSPUNDO-UHFFFAOYSA-N 320.330 1.250 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1c2ccccc2C[C@@H]1O 1640492821 JUOJJOCZDZMCGS-UQVHZRPISA-N 311.337 1.886 10 10 DDCE COC(=O)C1CCN(C(=O)CNCc2cc(C)ccc2O)CC1 1857867920 IQKLFDLZRKSYHO-UHFFFAOYSA-N 320.389 1.202 10 10 DDCE N[C@@H](c1c(O)c(Cl)cc(Cl)c1Cl)[C@H](O)C(=O)O 1952056759 IDYWMZPDFDIUSO-XPUUQOCRSA-N 300.525 1.798 10 10 DDCE CN1C[C@@H](c2c(N)cccc2O)N(C(=O)OC(C)(C)C)CC1=O 1953047164 IUBIHBATOIVWJI-NSHDSACASA-N 321.377 1.725 10 10 DDCE CS(=O)(=O)CC1CC(NCc2c(O)cccc2Cl)C1 1974459620 SVGNNJRYRZZOED-UHFFFAOYSA-N 303.811 1.958 10 10 DDCE Nc1ccc(O)c(CNC(=O)NCCOCc2ccccc2)c1 1981612911 CKTYQQXHLFELDF-UHFFFAOYSA-N 315.373 1.990 10 10 DDCE CC(C)(C)OC(=O)NCc1nc(C(=O)N2CC(N=[N+]=[N-])C2)co1 1985103401 UXUVETFLDRWMLF-UHFFFAOYSA-N 322.325 1.834 10 10 DDCE NCc1ccc(N2CCCNC(=O)CC2)cc1Br 2028682338 FASUXLUEZQLHCR-UHFFFAOYSA-N 312.211 1.624 10 10 DDCE CS(=O)(=O)N1CC[C@@H](CNCc2cccc(Cl)c2O)C1 709853021 RZLKBICHTFRLFC-JTQLQIEISA-N 318.826 1.417 10 10 DDCE Cn1ncc(C(=O)NCCN=[N+]=[N-])c1I 379159509 JGFWKLNOVWTQQZ-UHFFFAOYSA-N 320.094 1.065 10 10 DDCE NCc1ccc(N2CC[C@H]3CC(=O)N[C@H]3C2)cc1Br 2088806399 PAMKMFDTOMLUAP-ZANVPECISA-N 324.222 1.623 10 10 DDCE COc1ccc(Br)c(CNCC2CN(C)C2)c1O 2220462684 PHVQDYWOGWVMHQ-UHFFFAOYSA-N 315.211 1.815 10 10 DDCE Cn1ncc(Cl)c1NS(=O)(=O)Cc1ccc(N)cc1 2232208518 IFAKPCQJZZHYIV-UHFFFAOYSA-N 300.771 1.598 10 10 DDCE CSc1ncc(CNC(=O)CO[C@@H]2CCCNC2)s1 2269096477 UKRVTYNAMPZEAA-SECBINFHSA-N 301.437 1.250 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)c1c(Br)cnn1C 2300531518 HRNOELCVLOTBLB-UHFFFAOYSA-N 301.148 1.955 10 10 DDCE Cc1ccc(CN[C@@H](C(N)=O)C2CC2)c(O)c1Br 2327626895 QBNZSWLBRWHIRU-LLVKDONJSA-N 313.195 1.817 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1 171807069 FUCYQOZEMOTSTB-INIZCTEOSA-N 302.422 1.742 10 10 DDCE CCn1nnc(C)c1C(=O)N1CCOc2cc(N(C)C)ccc21 410534246 LUPOEDBYOCKSLS-UHFFFAOYSA-N 315.377 1.712 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(C(=O)OCC)c(C)s1 2365283276 OBWDJWGRXUMGDM-UHFFFAOYSA-N 321.424 1.627 10 10 DDCE COCCN1[C@@H](C)CN(Cc2ccc(OC)cc2O)C[C@H]1C 93479302 RLNOOQJZBJZPJQ-OKILXGFUSA-N 308.422 1.942 10 10 DDCE CCN(CC)c1ccc([C@H]2NC(=O)[C@@H]3COCCN32)cc1F 93885459 WYXWVSBYRKBVON-GJZGRUSLSA-N 307.369 1.501 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3[C@H]4CC[C@H]3CC(O)C4)c(Cl)cc21 252597409 JBPNWCLTVJEYSV-FZVNPBSJSA-N 307.781 1.784 10 10 DDCE CC(=O)N[C@@H]1CCN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 252797161 IYIWYSIQZFBVAB-OQPBUACISA-N 308.769 1.007 10 10 DDCE COC(=O)[C@@H]1[C@H](O)CCCN1Cc1cc(Cl)c(F)cc1O 294526011 CWIKOKLHMRZYPY-YPMHNXCESA-N 317.744 1.683 10 10 DDCE O=C1Nc2cc(N3CC([C@H](F)CO)C3)c(Cl)cc2[C@H]1O 2166897200 VTIZCYWADDTPKZ-BXKDBHETSA-N 300.717 1.092 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 808495485 RCKPCJPVJPPYPT-ZDUSSCGKSA-N 317.341 1.358 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CCN(C)CC1 291676822 MMEVWPSQYDEERF-GFCCVEGCSA-N 306.406 1.877 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@H](N)CCC(=O)OC)cc1 827340521 FADJFNCFGVHFBI-OAHLLOKOSA-N 321.421 1.430 10 10 DDCE C[C@H]1CN(Cc2ccc(Br)cc2O)CC(=O)N1C 825778914 DMSAHNSYGLVLPM-VIFPVBQESA-N 313.195 1.817 10 10 DDCE C[C@@H]1C(=O)N(C)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 826019401 DZLLNOCXWPYQLN-SNVBAGLBSA-N 308.357 1.221 10 10 DDCE C[C@H]1CN(CCO)CCN1C/C=C\c1ccc(N(C)C)cc1 835053027 AEOFAVLCLIHNKP-AWFCHZOYSA-N 303.450 1.764 10 10 DDCE C[C@@H](CC(=O)NCc1ccc2c(c1)CCCN2C)NC(N)=O 847405379 IKGZGWPSOXNNPB-NSHDSACASA-N 304.394 1.132 10 10 DDCE C[C@@H]1CNCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 841064900 VUAZKUZKFYVNGQ-CJNGLKHVSA-N 307.413 1.750 10 10 DDCE CN1CCN(c2ccc(CN[C@H]3CCCCNC3)cc2)CC1 841091338 VQOSNOMWVMIDLU-KRWDZBQOSA-N 302.466 1.670 10 10 DDCE COC(OC)[C@H](C)NC(=O)NCCCSc1nccs1 921447392 HRKJOVSBBFUFEU-VIFPVBQESA-N 319.452 1.932 10 10 DDCE Cc1ccc(C(=O)NCC2(C3(O)CCOCC3)CC2)c(O)c1O 928672173 MAHZLYJWMSXSIB-UHFFFAOYSA-N 321.373 1.458 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](CN)C3CC3)C2)cc1 851664739 JHYKWMYKIGEEQE-XJKSGUPXSA-N 318.421 1.310 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H]2CC[C@H]1[C@@H](CO)C2 856463757 FRWVVAWUMWLEOR-ZKDWERATSA-N 303.358 1.730 10 10 DDCE CN(CCN1CCCS1(=O)=O)Cc1cc2c(cc1O)CCC2 751934030 IDPPPCIXNLRTPL-UHFFFAOYSA-N 324.446 1.348 10 10 DDCE CCN1C[C@H](C(=O)NCc2ccc3cccnc3c2O)CC1=O 862028771 KFZXDPXPFNDDNU-CYBMUJFWSA-N 313.357 1.425 10 10 DDCE C[C@H]1C[C@H]1NC(=N)NCc1ccc(N2CCOCC2)c(F)c1 864454870 XKIZZKWXYOUVGN-SMDDNHRTSA-N 306.385 1.685 10 10 DDCE CN(C)c1ccc(CNC(=O)NCCOCCCN)cc1F 861570128 INGVGIDDTFZTTJ-UHFFFAOYSA-N 312.389 1.056 10 10 DDCE C[C@H](NS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1O 867836105 GAOVHJXPPREZKL-JQWIXIFHSA-N 324.402 1.136 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1CCN(C2CCC2)C1=O 869443099 JYMNNDDJIJHFQX-PKYBCLHXSA-N 317.341 1.808 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(F)c(F)c1O 876736084 FQRCPFSWBJBLSF-VIFPVBQESA-N 307.362 1.925 10 10 DDCE CC[C@@](C)(O)CN1CCN(c2ccc(OC)cc2OC)CC1 879461954 IJUFELKNEBMDSI-QGZVFWFLSA-N 308.422 1.987 10 10 DDCE COc1ccc(O)c([C@H](C)NS(=O)(=O)[C@H]2CCO[C@@H]2C)c1 785495422 PMGCMGBXLNOYLZ-RBZYPMLTSA-N 315.391 1.559 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(O)nn2)c1 1228953183 HUGZOPVGHZFYKP-SECBINFHSA-N 318.333 1.457 10 10 DDCE CCC(CO)(CO)NCc1c(O)cccc1Br 706805355 ZXZLTGWUEIDZKU-UHFFFAOYSA-N 304.184 1.378 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@H](O)CCc1ccccc1 1558174897 BNWXNTRTSGATQD-INIZCTEOSA-N 301.342 1.708 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCn2ncnc21 1565701899 OVKBMSIXKPBELO-OAHLLOKOSA-N 313.405 1.846 10 10 DDCE COCn1ccc(C(=O)NCc2ccc3cccnc3c2O)n1 1630532491 LYMASSKQQYRBCZ-UHFFFAOYSA-N 312.329 1.671 10 10 DDCE CN(CC(=O)NCc1ccc(N(C)C)cc1)Cc1ncccn1 1644308733 NHCKCVFMZIPXSO-UHFFFAOYSA-N 313.405 1.291 10 10 DDCE COc1cccc2c(C(=O)NCc3c(O)cccc3O)cnn12 1647289636 FRBNLRYKRSZBLD-UHFFFAOYSA-N 313.313 1.684 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3C[C@@H](O)C[C@H]2C3)cc1 1641602492 XCSSUSWNEOYAOM-OASPWFOLSA-N 302.334 1.834 10 10 DDCE C[C@H]1CO[C@@H](CO)CN1c1ccc(CN)cc1C(F)(F)F 163734222 MHZNZLJKNNOQQT-GXSJLCMTSA-N 304.312 1.750 10 10 DDCE CC(C)[C@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@H]1C(=O)O 250690508 JYOORQJHGYUFFV-UONOGXRCSA-N 305.378 1.781 10 10 DDCE Cn1nnc(Br)c1CNC(=O)Cc1ccc(N)cc1 1967290330 ICTVTZMDMJHZPO-UHFFFAOYSA-N 324.182 1.019 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@H](N)CF 1952616902 XDSDILKOWPVZKB-QWRGUYRKSA-N 314.357 1.830 10 10 DDCE COc1cc(Cl)cc(CNC[C@H]2COC[C@@H]2OC)c1O 2154124405 IWQHJJRVOJUICZ-GWCFXTLKSA-N 301.770 1.805 10 10 DDCE CN[C@H](C)c1ccc(N2CCCS(=O)(=O)CC2)c(F)c1 300523455 YHHGJBFBMIXAHH-LLVKDONJSA-N 300.399 1.731 10 10 DDCE NCc1ccc(N2C[C@H](O)[C@@H]3COC[C@H]32)cc1Br 2040600892 RSSKIKKQDQXBLW-RTXFEEFZSA-N 313.195 1.104 10 10 DDCE CN(Cc1c(O)cccc1F)[C@@H]1CCCS(=O)(=O)CC1 2160777294 ZORCYUJQQKWLCW-LLVKDONJSA-N 301.383 1.930 10 10 DDCE C[C@H]1CN(c2ccc(CN)c(Br)c2F)C[C@H]1O 387550827 BUWYTBIVYOEIMH-OIBJUYFYSA-N 303.175 1.864 10 10 DDCE CNC(=O)CCCNCc1cccc(Br)c1O 398341451 KSIGHZATPAVXMI-UHFFFAOYSA-N 301.184 1.771 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN(S(=O)(=O)C2CC3(C2)OCCO3)C1 2263529239 VDHQDDXEXLJMMU-SNVBAGLBSA-N 316.383 1.244 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2C=C[C@@H](C(=O)O)C2)s1 2284501781 UWQAZFKCHQEMTM-HTQZYQBOSA-N 313.404 1.694 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NCCCCN1CCOCC1 2307986179 DQIXODJZILSDMO-UHFFFAOYSA-N 320.389 1.340 10 10 DDCE O=C(COc1ccc(Cl)cc1)NN1C(=O)CSC1=S 3079173 VQUJAAADYFYDJX-UHFFFAOYSA-N 316.791 1.610 10 10 DDCE CN(C)c1ccc(CNC(=O)NCCc2cnn(C)c2)cc1F 58571107 FYDVKCSPPYGTLD-UHFFFAOYSA-N 319.384 1.667 10 10 DDCE C[C@H](O)[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 301755943 DINNTMXDJHVXJZ-UWVGGRQHSA-N 321.333 1.523 10 10 DDCE CCOC(=O)N1CC[C@H](NCc2ccc3c(c2)CCN3C)C1 185778407 XDAYRZMYCGNWMP-HNNXBMFYSA-N 303.406 1.999 10 10 DDCE CC[C@H](NCCNC(N)=O)c1cc(Br)ccc1O 132809082 PXZMZMFNAFHCRD-JTQLQIEISA-N 316.199 1.864 10 10 DDCE NS(=O)(=O)CCCCCCNCc1cccc(F)c1O 2364242701 NXKKFLPXXOOFFJ-UHFFFAOYSA-N 304.387 1.470 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCO[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 813618429 NNBRBDUDMHAQQU-XEKFUKFUSA-N 304.302 1.759 10 10 DDCE CNC(=O)[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 817415417 SSTFIEZETUHNCT-OAHLLOKOSA-N 303.406 1.091 10 10 DDCE NCCc1ccc(S(=O)(=O)NCc2ccccc2O)s1 722215138 USGGSAOIRJDSCM-UHFFFAOYSA-N 312.416 1.433 10 10 DDCE Cc1nn(CN(Cc2ccc(N(C)C)cc2)C(C)C)c(=O)n1C 844690320 UBMKFHCUNOAEJR-UHFFFAOYSA-N 317.437 1.824 10 10 DDCE C[C@]1(NC(=O)/C=C/c2ccc(O)c(O)c2)CN2CCC1CC2 912375356 FWBXCFGMDFDLLZ-RCFWFJCLSA-N 302.374 1.712 10 10 DDCE C[C@@H]1CCNC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 841761982 SPZINKHSVOEQKD-RISCZKNCSA-N 308.401 1.689 10 10 DDCE O=C1NCC[C@@H]2CCCN(C(=O)/C=C\c3ccc(O)c(O)c3)[C@@H]12 922444069 VVHXNOYDQABBKR-VMADHQJXSA-N 316.357 1.238 10 10 DDCE COc1cc(N(C)CCO[C@@H]2CCOC2)cc(OC)c1OC 929708748 YKJUVIZWMYDMRX-CYBMUJFWSA-N 311.378 1.954 10 10 DDCE C[C@@H](N[C@@H]1CNOC1)c1cc(Br)cc(F)c1O 925862166 MTRUPFUJLMKGBE-HTRCEHHLSA-N 305.147 1.848 10 10 DDCE Cc1cc(C)c(O)c(CN2CCN(S(C)(=O)=O)[C@H](C)C2)c1 853564279 LYHYPCACCYHOCI-CYBMUJFWSA-N 312.435 1.475 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@@]34CCOC4)C2)cc1 855225987 MMPTTXBCVILHBL-QANKJYHBSA-N 316.401 1.817 10 10 DDCE COCCCCS(=O)(=O)NCc1ccc(N(C)C)cc1C 772686607 VSLNRCSAJXOQEK-UHFFFAOYSA-N 314.451 1.907 10 10 DDCE C[C@@H]1CN2CCN1C[C@H]2C(=O)NCc1cccc(Cl)c1O 1124069894 FWALTKBEFLEJDK-MFKMUULPSA-N 309.797 1.050 10 10 DDCE COc1cc(C)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1 781542182 BQZTXNQNUVIZAD-UHFFFAOYSA-N 303.318 1.141 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cc(-n2cccn2)ccn1 1142534049 XKUIGFJNGJTRJQ-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE O=C1NCC[C@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn12 1160564109 WJZKCXVNMOSIJC-LLVKDONJSA-N 321.340 1.471 10 10 DDCE Oc1cc(Br)ccc1CN[C@H]1CCOC[C@H]1O 706774936 GQXDZVOADVYPLS-CMPLNLGQSA-N 302.168 1.394 10 10 DDCE O=S(=O)(NCCCNCc1cccc(Cl)c1O)C1CC1 1964609423 FMQUZBIDEWSBHT-UHFFFAOYSA-N 318.826 1.607 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)n3ccnc3)C2)cc1 1331230853 YAENJTRSEQYXAG-KBPBESRZSA-N 314.389 1.848 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 1351392535 FOWHKHMZCVPNJZ-NFAWXSAZSA-N 316.401 1.903 10 10 DDCE Nc1cc([N+](=O)[O-])ccc1C(=O)NCCc1ccc(O)c(O)c1 1445935542 CVGIWCBHUQQMPC-UHFFFAOYSA-N 317.301 1.561 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@](O)(C(F)F)C2)cc1 1449878327 IEHDECNBODAGPG-ZDUSSCGKSA-N 312.276 1.691 10 10 DDCE C[C@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1294963570 IFRYQXBGNLKXKE-ZWNOBZJWSA-N 320.349 1.773 10 10 DDCE O=C(C1CC2(C1)CS(=O)(=O)C2)N1Cc2cccc(O)c2C1 1455036980 NIZBBCKHEHUFDT-UHFFFAOYSA-N 307.371 1.059 10 10 DDCE CCCN(CC(=O)OC)C(=O)c1ccc(N=NC(N)=O)cc1 1616544552 IRXRRCGCMVSNRL-UHFFFAOYSA-N 306.322 1.874 10 10 DDCE O=Cc1cccc(OCC(=O)NCc2cccc(O)c2O)c1 1644711151 UOOOQOFJEHTDPL-UHFFFAOYSA-N 301.298 1.606 10 10 DDCE COc1ccc(CN[C@@H](C)CN(C)C(=O)[C@H](O)C(C)C)cc1C 1734324466 LULILBCWVVHSOR-WMLDXEAASA-N 322.449 1.957 10 10 DDCE COc1ccnc(CNC(=O)Cc2ccc(O)c(O)c2)c1F 1584867637 JAFSBBFXZGXLPI-UHFFFAOYSA-N 306.293 1.499 10 10 DDCE CC[C@@H](Oc1ccccc1/C=C1\SC(N)=NC1=O)C(=O)O 16905113 GMKOZWDHLFONHK-MDXIRLPMSA-N 306.343 1.858 10 10 DDCE COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)c1O 155391214 USGIZGVJGVTNGJ-ZDUSSCGKSA-N 320.389 1.664 10 10 DDCE N[C@@H]1CC(C(=O)N2CCc3cc(Br)ccc32)=C[C@H]1O 2131469966 NGEJNUVELGJIPG-DGCLKSJQSA-N 323.190 1.357 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](F)C2)c(Br)c1 1944302897 WVIWURLKRIAXDD-KOLSJAJHSA-N 303.175 1.988 10 10 DDCE CC(C)(C)OC(=O)N1CC(Cc2ccc(O)c(O)c2)(C(=O)O)C1 1951965299 IGVBGUJOLPTVLE-UHFFFAOYSA-N 323.345 1.962 10 10 DDCE N[C@@H]1C[C@H](O)CN(Cc2cc(Br)ccc2O)C1 1971880549 MHDCKCPRUCJKEK-MNOVXSKESA-N 301.184 1.049 10 10 DDCE NC(=O)[C@H]1OCC[C@H]1Nc1c(N)cccc1Br 2005840543 NLALXGHWWXJAFJ-SCZZXKLOSA-N 300.156 1.086 10 10 DDCE C[C@H](CCS(C)(=O)=O)N(C)c1c(F)cc(CN)cc1F 2160737405 YCEMDJSASCGGLY-SECBINFHSA-N 306.378 1.683 10 10 DDCE CCN[C@H](c1ccccc1O)c1c(Br)nnn1C 2029564724 VLMGZSDJNHVWCV-SNVBAGLBSA-N 311.183 1.982 10 10 DDCE COC1(CF)CN(c2cc3c(cc2Cl)[C@H](O)C(=O)N3)C1 2168730152 ABTRNVRREKWCIQ-NSHDSACASA-N 300.717 1.500 10 10 DDCE CCCS(=O)(=O)C[C@@H](C)NCc1cccc(OC)c1O 2170590908 LWJFEENBIICUCC-LLVKDONJSA-N 301.408 1.704 10 10 DDCE CS[C@@H]1CN(c2c(F)cc(CN)cc2F)C[C@@H]1N(C)C 2170717584 PZQQVOMLTLPJIR-QWHCGFSZSA-N 301.406 1.905 10 10 DDCE CN1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)Cc2ccccc21 1470761499 CIOYOBOXYJBOHZ-AWEZNQCLSA-N 312.369 1.818 10 10 DDCE C[C@@H]1CC[C@H](S(C)(=O)=O)CN1Cc1cc(F)ccc1O 2279352782 LYMFAVOBHAYFKL-MFKMUULPSA-N 301.383 1.929 10 10 DDCE CC[C@H](C)[C@H]1NC(=O)CN(Cc2cnc(SC)s2)C1=O 2284668416 WXJGYGIOGAXVCG-GZMMTYOYSA-N 313.448 1.738 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@@H](CO)C2CC2)s1 2256942251 WKBSTUCVESCBMP-VIFPVBQESA-N 308.450 1.055 10 10 DDCE COCCCCC[S@](=O)CC(=O)c1ccc(O)c(O)c1 2287510157 YHVMTBLFGKSEHD-FQEVSTJZSA-N 300.376 1.846 10 10 DDCE Nc1ccc(CCNC(=O)c2cnnc(Br)c2)cc1 2274072481 OJKQSPCOMWAMNN-UHFFFAOYSA-N 321.178 1.794 10 10 DDCE CS(=O)(=O)c1cscc1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 2288496951 NIRIPQCLGXKOOZ-QMMMGPOBSA-N 314.392 1.924 10 10 DDCE Cc1ccc(CN[C@@H]2COC[C@H]2N)c(O)c1Br 2307480285 RHGPOJZNOMERNK-NXEZZACHSA-N 301.184 1.279 10 10 DDCE C[C@H]1CCCN(CCNC(=O)C=Cc2ccc(O)c(O)c2)C1 2307990317 JRSIGIQWEPBGLK-ZDUSSCGKSA-N 304.390 1.959 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCN(C(C)=O)C1 175255075 QINHYDAJMLQZAI-OAHLLOKOSA-N 304.390 1.999 10 10 DDCE CC1(C)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 301614225 HXYWFJBYAPNBEN-UHFFFAOYSA-N 307.306 1.541 10 10 DDCE COc1ccc(N2CCN(C(=O)N[C@@H]3CCOC3)CC2)cc1 178773716 RHCFXIXYIMXGFN-CYBMUJFWSA-N 305.378 1.316 10 10 DDCE Cc1cc(Cl)cc(CN2CC[C@@H](NS(C)(=O)=O)C2)c1O 180334480 DIUVGOTWEMAOJA-GFCCVEGCSA-N 318.826 1.478 10 10 DDCE CCS(=O)(=O)N1CC(CN[C@@H](C)c2ccc(C)cc2O)C1 190691293 NGYKXIKGFMVISX-LBPRGKRZSA-N 312.435 1.633 10 10 DDCE C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1N1CCOCC1 245790263 VZMKAHRBDNPEET-TZMCWYRMSA-N 320.389 1.273 10 10 DDCE COc1cc(O)c(CNC[C@H](CO)c2cccnc2)cc1OC 809779357 KRJHUOVGXMBFMA-CQSZACIVSA-N 318.373 1.670 10 10 DDCE Cc1cc(Br)cc(CN2CCOC[C@@H](O)C2)c1O 294794272 MGCHHCUMBQYOSY-LBPRGKRZSA-N 316.195 1.656 10 10 DDCE CN(C)c1ccc(CNC(=O)C[C@H]2CCCS(=O)(=O)C2)cc1 292708660 HECBMELSPZJVBI-CQSZACIVSA-N 324.446 1.584 10 10 DDCE COCc1nnc(-c2cccc(C(=O)OCC(=O)C(C)=O)c2)o1 808534381 MKAGGRDFZLNZFO-UHFFFAOYSA-N 318.285 1.198 10 10 DDCE C[C@H]1COCC[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O 819167812 IEJHKMAWOMVVRU-AAEUAGOBSA-N 304.346 1.581 10 10 DDCE CCN(CCC(N)=O)C(=O)NCc1ccc2c(c1)CCCN2C 915389898 FJDRANZDEOFJRX-UHFFFAOYSA-N 318.421 1.476 10 10 DDCE C[C@H](NC(=O)NC/C=C\CN)c1ccc(N2CCOCC2)cc1 841739485 ALZIHBZUJKPEKE-SFAKSCPVSA-N 318.421 1.398 10 10 DDCE c1cc(N2CCOCC2)ccc1CN(C1CC1)[C@@H]1CCNC1 843055458 JQMJJIAWFQAOHK-GOSISDBHSA-N 301.434 1.850 10 10 DDCE Cc1cnn(C)c1NC(=O)C(=O)N(C)Cc1ccccc1O 850351599 FLSBRQTYEHFRKI-UHFFFAOYSA-N 302.334 1.031 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cn3cc(C)cn3)C2)cc1 855229627 KXGGIMMTTDKECP-AWEZNQCLSA-N 314.389 1.595 10 10 DDCE C[C@]1([C@@H]2CCCN(C(=O)c3cc(O)cs3)C2)COC(=O)N1 928023178 YSEQRYKUUXRESP-YMTOWFKASA-N 310.375 1.804 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C[C@H]3CCOC3)C2)cc1 855226615 REELBCJXYLNOPE-ZIAGYGMSSA-N 304.390 1.817 10 10 DDCE COCC1(CS(=O)(=O)N2Cc3cccc(O)c3C2)CCC1 867691021 PWXSTWYTVACGRF-UHFFFAOYSA-N 311.403 1.854 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@@H]23)c1 862756167 RSGHEAFUAVPRQL-CJHYQQOXSA-N 309.365 1.644 10 10 DDCE C[C@H](NCCC1CS(=O)(=O)C1)c1cc(F)cc(F)c1O 786946502 AQMKODBAKDMMBB-QMMMGPOBSA-N 305.346 1.756 10 10 DDCE O=C(C1CN(C2CCOCC2)C1)N1Cc2cccc(O)c2C1 899174823 ZVPALYSBYWOMNF-UHFFFAOYSA-N 302.374 1.345 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1cc2n(n1)CCC[C@@H]2O 1149872119 PBUFTYXPSDKRAE-HNNXBMFYSA-N 301.346 1.688 10 10 DDCE Nc1cccc(Cl)c1NC1CCN(S(N)(=O)=O)CC1 698652541 FGSWAAHXBGOJLS-UHFFFAOYSA-N 304.803 1.002 10 10 DDCE O=C(O)/C=C/c1ccc(N2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 1346114508 ZQMAFGQXYNDCSQ-OHVSUOQFSA-N 304.302 1.654 10 10 DDCE CCOC(=O)c1cc(C(=O)NCc2ccc(O)cc2O)on1 1469158906 GTPLMGHNKZEVNW-UHFFFAOYSA-N 306.274 1.193 10 10 DDCE CCOC(=O)[C@@H](CC1CC1)NC(=O)Cc1ccc(O)c(O)c1 1558219748 QRMBJZWFDRBETJ-GFCCVEGCSA-N 307.346 1.488 10 10 DDCE CC(C)[C@H](NC(N)=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1633315925 ZKIDQAXYRYLCJK-RISCZKNCSA-N 306.410 1.623 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](c2ncccn2)C1 1638498444 UGVBBLLQMMKSGJ-CYBMUJFWSA-N 313.357 1.837 10 10 DDCE COc1ccc(N(C)CC(=O)Nc2ccccc2C(N)=O)cc1 1654957933 QQBQPBOYDWBLEW-UHFFFAOYSA-N 313.357 1.869 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@@H](c2cncn2C)N(C)C)cc1 1587317436 ZXRZTIFDBVNVGO-MRXNPFEDSA-N 315.421 1.405 10 10 DDCE Cn1nc(C(=O)NCc2cccc(O)c2O)cc1C(F)(F)F 1593743843 DROUJPIUANEVGT-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc([N+](=O)[O-])c(O)c1 1593873672 VZGJUAQVCXAXDK-UHFFFAOYSA-N 304.258 1.642 10 10 DDCE Nc1ccc(Oc2ccc(NC(=O)C[C@H](N)C(=O)O)cc2)cc1 1865998279 CEUSIJUKQVPZOD-AWEZNQCLSA-N 315.329 1.802 10 10 DDCE Nc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3)cc2)cc1 1866040736 WAEQICODULKERV-CJNGLKHVSA-N 313.357 1.722 10 10 DDCE CCN(CC)c1ccc(CNCCC(=O)N(C)CCO)cc1 1857863386 NOQBJGOPLOHPPJ-UHFFFAOYSA-N 307.438 1.463 10 10 DDCE CN(Cc1ccc(Br)cc1O)[C@H]1CCC(=O)NC1 1970971293 SWPLQAYJINGHAP-NSHDSACASA-N 313.195 1.865 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C2C[C@H]3[C@@H](C2)C31C(=O)NCCN=[N+]=[N-] 1986693116 CFEBWGPMBIYLGQ-HVGFFAFRSA-N 321.381 1.962 10 10 DDCE O=S1(=O)C[C@@H]2[C@@H](CCN2c2c(F)cc(CO)cc2F)C1 2151271501 FVWMTNYNPPYKCC-JOYOIKCWSA-N 303.330 1.080 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1CNCC[C@H]1CO 2016928180 BKMGZNOLCPCOOM-GZMMTYOYSA-N 300.200 1.414 10 10 DDCE C[C@@H](C[C@@H]1CCCS1(=O)=O)NCc1c(O)cccc1F 2160778490 QMROCAPGINMYCB-QWRGUYRKSA-N 301.383 1.977 10 10 DDCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1ccncc1Br 703784011 VALQHGBVLGRQHF-VIFPVBQESA-N 313.159 1.661 10 10 DDCE NCC1(O)CCN(Cc2c(O)cccc2Br)CC1 706867146 UNZGIOCYMMHEEK-UHFFFAOYSA-N 315.211 1.440 10 10 DDCE NOCCCS(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 722221015 FBYWNIISPAZGIS-UHFFFAOYSA-N 315.178 1.721 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)[C@H]1CCn2ncnc2C1 2063529516 CJGIWJOBEURTSV-LBPRGKRZSA-N 323.356 1.411 10 10 DDCE Oc1cc(Br)ccc1CN1C[C@H](O)CC12CNC2 2066533821 LWFRNCQEGIDNMZ-LLVKDONJSA-N 313.195 1.063 10 10 DDCE CC1(C)OC[C@H](NCc2cc(Br)ccc2O)[C@@H]1O 2078740131 WWOHZDKJEDUFML-JQWIXIFHSA-N 316.195 1.783 10 10 DDCE CC1(C)OC[C@H](NCc2cc(Br)ccc2O)[C@H]1O 2078740130 WWOHZDKJEDUFML-CMPLNLGQSA-N 316.195 1.783 10 10 DDCE Oc1c(Br)cccc1CN[C@H]1CCn2ncnc2C1 2108918682 NZWLQSZZPROEDS-JTQLQIEISA-N 323.194 1.851 10 10 DDCE CN(CCS(=O)(=O)N(C)C)Cc1ccc(Cl)cc1O 2094689651 LQMIGKZJDVHWAR-UHFFFAOYSA-N 306.815 1.369 10 10 DDCE CC1(C)CN(c2ccc(CN)c(Cl)c2)CCS1(=O)=O 2113900282 DTVCKWULZPFKOY-UHFFFAOYSA-N 302.827 1.812 10 10 DDCE Cc1cc(N2CCSC[C@@H]2S(C)(=O)=O)ccc1[C@@H](C)N 2285124109 MCRVUXLIJVKYAU-RISCZKNCSA-N 314.476 1.939 10 10 DDCE CS(=O)(=O)CCCOCCC(=O)Nc1ccc(N)cc1 2295821016 JBYHKOOIEDDJFB-UHFFFAOYSA-N 300.380 1.049 10 10 DDCE Cc1ccc(CN(C)C(=O)CC(=O)O)c(O)c1Br 2327593339 BBAWYOXNANPRER-UHFFFAOYSA-N 316.151 1.896 10 10 DDCE CN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)SC1=S 38704459 CMGXVEJOIKLRKT-NTMALXAHSA-N 310.400 1.947 10 10 DDCE CC[S@](N)(=O)=NCc1ccc(N2CCOCC2)c(F)c1 404510047 DNGAYJNJYBKXOL-HXUWFJFHSA-N 301.387 1.524 10 10 DDCE CCOc1cccc(CN2CCO[C@@H](Cn3cccn3)C2)c1O 122219941 BWZUDOAPBMAQHO-OAHLLOKOSA-N 317.389 1.888 10 10 DDCE COc1ccc(CN2CCO[C@H](c3nc(C)n[nH]3)C2)c(O)c1 180118449 MKXBRAUBSIONSZ-AWEZNQCLSA-N 304.350 1.401 10 10 DDCE CN(C)C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 80177604 XMTVWFSTUVYHOC-CYBMUJFWSA-N 307.394 1.793 10 10 DDCE C[C@H]1CN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)CCN1 606441864 OEGGVNAZJSGQST-QZDDGCDVSA-N 315.417 1.357 10 10 DDCE COc1cc2c(c(OC)c1OC)[C@@H](N1CCCNCC1)CN2C 527417562 ZUKSETCVJQTNJF-ZDUSSCGKSA-N 321.421 1.499 10 10 DDCE COc1cc(Cl)cc(CN2CC[C@@H](OC)C[C@H]2CN)c1O 252876157 WXSOGRSSJIDVAG-QWHCGFSZSA-N 314.813 1.992 10 10 DDCE CCN(CC)c1ccc(CN[C@@H]2CCO[C@@H]2C(=O)OC)cc1 826967441 SAGYJFOTVXUCEQ-CVEARBPZSA-N 306.406 1.953 10 10 DDCE COc1cc(O)ccc1NS(=O)(=O)N1CCC[C@H](C)C1 901703548 IFKOWPMFYSGLBZ-JTQLQIEISA-N 300.380 1.789 10 10 DDCE C[C@H](O)CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@H](C)C1 588613529 SEQUALHKJXZPKH-RMKKPPKKSA-N 320.389 1.025 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2C[C@H]2C2CC2)c1 837113125 YEAUZUCGRGXMNK-JQWIXIFHSA-N 324.402 1.540 10 10 DDCE CCN(CC)CCS(=O)(=O)NCc1cc(Cl)ccc1O 845995857 IEBIBWXGQDAIHV-UHFFFAOYSA-N 320.842 1.807 10 10 DDCE Cc1cc(O)c(CN(C)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 840908059 NYGOHZYCJXYSLG-SNVBAGLBSA-N 303.811 1.973 10 10 DDCE Cc1nc([C@H]2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)no1 927329488 GGGAEHYFIIQFBN-FHMRSRPSSA-N 315.329 1.819 10 10 DDCE CC(C)O[C@]1(CNCc2cc([N+](=O)[O-])ccc2O)CCOC1 922612219 ZOPNSRNPBPRVDW-HNNXBMFYSA-N 310.350 1.974 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C)CCO)C2)cc1 854300580 WCBCQLYDRIBMML-ZIAGYGMSSA-N 321.421 1.592 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cncc(O)c3)C2)cc1 855223194 CJORYZMKYYUWIX-ZDUSSCGKSA-N 313.357 1.805 10 10 DDCE COc1ccc(O)c(CNC(=O)NC[C@H](OC)[C@@H]2CCOC2)c1 853736492 CYXKNIMICNJJJR-ABAIWWIYSA-N 324.377 1.252 10 10 DDCE CCN(CC)c1ccc(CNC(=O)C2=NO[C@@H](CN)C2)cc1F 852867272 SNMOOHXQFMIIEL-GFCCVEGCSA-N 322.384 1.392 10 10 DDCE CCOC(=O)c1cnn2c(O)cc(CN3CC[C@H]4C[C@@H]43)nc12 761095429 QDCGLULMYSELLW-CABZTGNLSA-N 302.334 1.206 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC1(CCO)CCOCC1 765650827 MRCBXTKTYZWDGK-RQOWECAXSA-N 307.346 1.159 10 10 DDCE CC(C)(C)N1C[C@H](C(=O)N2Cc3cccc(O)c3C2)CC1=O 871198849 PNSXNSIHJHXKHK-GFCCVEGCSA-N 302.374 1.881 10 10 DDCE C[C@H]1CO[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 888289585 FTXCBHJRRBCZMG-MLGOLLRUSA-N 322.380 1.704 10 10 DDCE C[C@H](NCc1c(O)ccc(Cl)c1F)[C@H]1CN(C)CCN1C 1474718128 XJKUYKYKADMHSI-GXFFZTMASA-N 315.820 1.909 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@@]2(C)CCOC2)cc1C 1266921346 USOJKBBJIDJLAH-SFHVURJKSA-N 320.433 1.978 10 10 DDCE O=C(N[C@H]1COC2(CCC2)C1)C(=O)N1Cc2cccc(O)c2C1 1350445567 XHTYLSMPDMJRSY-GFCCVEGCSA-N 316.357 1.062 10 10 DDCE CC(=O)NCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1523331451 NHUPUYFVLDIIHZ-UHFFFAOYSA-N 305.338 1.447 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=O)NC3CSC3)C2)cc1 1470592269 AZPFXRNSHPRLQY-LBPRGKRZSA-N 321.446 1.936 10 10 DDCE CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCc1c(O)cccc1O 1472064492 YXYXOBWQBMLNRP-CYBMUJFWSA-N 320.389 1.751 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@@H]1COc2ccccc2O1 1558533410 AQWIWYDEGGSKNV-HNNXBMFYSA-N 301.298 1.554 10 10 DDCE O=C(NCc1cccc(Cl)c1O)c1ccnc2[nH]c(O)nc12 1637231900 BVHKATUECNJKTR-UHFFFAOYSA-N 318.720 1.953 10 10 DDCE O=C(NCc1cccc(O)c1O)[C@@H]1C[C@]12C(=O)Nc1ccccc12 1637045855 KTBPLMNDMLSEIN-KPZWWZAWSA-N 324.336 1.624 10 10 DDCE COC(=O)c1nc(C(=O)NCc2c(O)cccc2F)cs1 1596916207 CYZMXUSNIGEZKV-UHFFFAOYSA-N 310.306 1.704 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N=c1cc(Cl)nc(Cl)[nH]1 2144030510 PCFZQHXDVRPCLT-UHFFFAOYSA-N 314.128 1.798 10 10 DDCE NCc1cc(F)c(N2CC(F)(CO)C2)cc1Br 2005098666 YJNJLUQMANDUPM-UHFFFAOYSA-N 307.138 1.568 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)cc1Cl 2145074107 RGXDYLFJGCQSLE-RBZYPMLTSA-N 314.838 1.983 10 10 DDCE NCc1cc(F)c(N2CC3(C2)OCCC[C@@H]3O)cc1Cl 2177379584 ZSLUSGIFQLLLCB-ZDUSSCGKSA-N 300.761 1.668 10 10 DDCE C[C@@H]1CSCCCN1S(=O)(=O)Cc1ccc(N)cc1 2087319359 DYSGGQDMQGWBBA-LLVKDONJSA-N 300.449 1.926 10 10 DDCE CNCc1ccc(N(C)[C@H](C)CS(C)(=O)=O)cc1OC 2204544989 JLCZXLLZNULBDP-LLVKDONJSA-N 300.424 1.284 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2225801328 UVSANHLFWWWZMR-SFYZADRCSA-N 304.763 1.583 10 10 DDCE CCOCCOCCOCC[S@](=O)CCCCN=[N+]=[N-] 2240463191 VTSYKMVMSVLYNC-HXUWFJFHSA-N 307.416 1.895 10 10 DDCE CSc1ncc(CNC(=O)c2ncn3c2CNCC3)s1 2286550861 SUTGJWSUKSUKAT-UHFFFAOYSA-N 309.420 1.095 10 10 DDCE CN1C(=O)CCN(C(=O)/C=C/c2cnccn2)c2ccccc21 491842326 FCZKNCGVGLZKKQ-VOTSOKGWSA-N 308.341 1.890 10 10 DDCE NC(=O)[C@H]1CCC[C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)C1 2308001513 OURZOTGIVXPBRM-NWDGAFQWSA-N 304.346 1.271 10 10 DDCE Cc1ccc(CN(C)C(=O)CCNO)c(O)c1Br 2327797256 SUHZMPWBIJOIGN-UHFFFAOYSA-N 317.183 1.790 10 10 DDCE Cc1ncnc(C)c1CNC(=O)[C@@H](C)Cc1ccc(O)c(O)c1 170034162 LHUPIBPCAHNGMS-JTQLQIEISA-N 315.373 2.000 10 10 DDCE CS(=O)(=O)c1ccc(CNCc2ccc(O)c(O)c2)cc1 44474256 FOJPVHYQVKTZHU-UHFFFAOYSA-N 307.371 1.791 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3[C@H]4CC[C@H]3CC(O)C4)cc2N1 320799171 JLYQPTHWIRBTST-IUCAKERBSA-N 319.317 1.418 10 10 DDCE COc1cc(Cl)c(N2CC[C@H](N)[C@@H](CO)C2)c(OC)c1 2368115554 BMQHNRSDJNWOQU-SKDRFNHKSA-N 300.786 1.503 10 10 DDCE CNC(=O)[C@H]1CNCCN1Cc1cc(Cl)cc(Cl)c1O 89081142 MNGTUILMEGDCAZ-LLVKDONJSA-N 318.204 1.219 10 10 DDCE CN1C2(CCC2)COC[C@]1(CO)CNCc1cc(F)ccc1O 529640085 BHMJFWDHNLTRTK-QGZVFWFLSA-N 324.396 1.237 10 10 DDCE COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1cccc(OC)c1O)C2 369540400 IZUNBTJIEIFYSI-SUMWQHHRSA-N 321.373 1.412 10 10 DDCE Cc1cc(Cl)cc(CN2CCc3n[nH]c(=O)cc3C2)c1O 274907340 ITOUAEHZVTVGMH-UHFFFAOYSA-N 305.765 1.996 10 10 DDCE COc1ccc(O)c(CNC(=O)C2(N3CCOCC3)CCC2)c1 376548848 SEPBVUROXWSQII-UHFFFAOYSA-N 320.389 1.272 10 10 DDCE COc1cc(O)c(CN(CCO)[C@@H]2CCO[C@@H]2C)cc1OC 825130180 OZYHDBUMLXEBPN-DGCLKSJQSA-N 311.378 1.381 10 10 DDCE C[C@]12COC[C@@H]1CN(Cc1ccc(N3CCOCC3)cc1)C2 827283626 QWZKETKUGJKHBI-WMZOPIPTSA-N 302.418 1.992 10 10 DDCE CN1CCN(c2ccc(CN[C@H](CN)C(F)(F)F)cc2)CC1 848714118 GSLWOOMHLFSZLT-CQSZACIVSA-N 316.371 1.418 10 10 DDCE C[C@H]1CN(CCO)[C@H](C)CN1Cc1ccc(N(C)C)c(F)c1 841891650 NWPUFDRLBUWSSF-KGLIPLIRSA-N 309.429 1.779 10 10 DDCE COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@H](C)N)CC2)cc1 841779684 WLPPITPSSKNDIF-STQMWFEESA-N 320.437 1.699 10 10 DDCE COc1cc(CN2CC[C@@H](CN3CCOC3=O)C2)c(O)cc1C 840097734 DIXFQAVYBQBKRE-CYBMUJFWSA-N 320.389 1.983 10 10 DDCE COC(OC)[C@@H](C)NC(=O)NCCCSc1nccs1 921447391 HRKJOVSBBFUFEU-SECBINFHSA-N 319.452 1.932 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CO[C@@H](C)C3)C2)cc1 852396713 NSMJQTTUUHMLTG-MELADBBJSA-N 319.405 1.751 10 10 DDCE CC(=O)C(=O)COC(=O)C1(NC(=O)OCc2ccccc2)CC1 860248499 YILCTBHKLJYBJS-UHFFFAOYSA-N 319.313 1.147 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3coc(OC)n3)C2)cc1 862158668 KERUASNSYYAYMH-NSHDSACASA-N 317.345 1.701 10 10 DDCE CNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 768272857 VMMKXQMILAGNPW-UHFFFAOYSA-N 302.422 1.648 10 10 DDCE COc1nn(C)cc1NCc1ccc([N+](=O)[O-])c(OC)c1O 775112034 RTIKLKBGLVUVTA-UHFFFAOYSA-N 308.294 1.663 10 10 DDCE CN(CCCCN=[N+]=[N-])C[C@H](O)CNC(=O)OC(C)(C)C 1957244517 QIQZXEOMJMVYDH-LLVKDONJSA-N 301.391 1.894 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)C(F)(F)C1CCOCC1 790794922 VIQGLFMDADFMRM-UHFFFAOYSA-N 315.316 1.818 10 10 DDCE COc1ccc(N2CCN(C(=O)CN3[C@@H](C)C[C@H]3C)CC2)cc1 791565098 FBFKLODKNQTWPK-GASCZTMLSA-N 317.433 1.827 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2cccn3nnnc23)c1 1150542487 ASQPOUPOOMDNGF-SECBINFHSA-N 313.317 1.330 10 10 DDCE C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1cccc(O)c1O 1303192867 BYXMREQDHMVBBV-LLVKDONJSA-N 314.341 1.533 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC(C)(C)O1 1329870311 XJDGOJFUVVDPLQ-ZDUSSCGKSA-N 320.389 1.424 10 10 DDCE Cc1ccc(C(=O)N(C)C[C@@H](O)c2cccnc2)c(O)c1O 1180217000 JLGQGOQPVNZENI-CYBMUJFWSA-N 302.330 1.607 10 10 DDCE Oc1cc(Br)ccc1CNC1COCCOC1 691425183 CXECOAKUTLSVEA-UHFFFAOYSA-N 302.168 1.660 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)NC2C[C@H]3C[C@@H]3C2)cc1F 1261446433 ZTJAUXKXLDRIGD-VXGBXAGGSA-N 319.380 1.423 10 10 DDCE O=C(O)[C@H](NCc1c(O)ccc(Cl)c1F)[C@H]1CCCO1 1261845940 SLTXOMONZMOOAE-ZYHUDNBSSA-N 303.717 1.907 10 10 DDCE CCOC(=O)c1cn(C)nc1NC(=O)Cc1ccc(O)c(O)c1 1608302331 QYJRJIRNFLRMHN-UHFFFAOYSA-N 319.317 1.189 10 10 DDCE O=C1NC(=O)[C@H](c2ccc(NC(=O)c3cc(O)cs3)cc2)N1 1470576693 WYQYVYOQWCUQKZ-NSHDSACASA-N 317.326 1.587 10 10 DDCE COc1cccc(CCNC(=O)Cc2ccc(O)c(O)c2)n1 1557596225 ZGFWPMMJAYYAAL-UHFFFAOYSA-N 302.330 1.403 10 10 DDCE NC(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)nc1Cl 1558175190 HJIMPYRMIALJRK-UHFFFAOYSA-N 321.720 1.175 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2C[C@@H](O)CC(F)(F)C2)cc1 1625539206 KAXWVVJADASNJY-JTQLQIEISA-N 312.276 1.691 10 10 DDCE Cn1nnc(C(=O)NCc2c(O)cccc2O)c1C(F)(F)F 1558536164 VIHAFUWWWXVENL-UHFFFAOYSA-N 316.239 1.175 10 10 DDCE Cc1cc(C)n2ncc(C(=O)NCc3ccc(O)cc3O)c2n1 1639441477 VUBRBLYMFPGPRE-UHFFFAOYSA-N 312.329 1.687 10 10 DDCE O=C(Cn1ccc2ccccc2c1=O)NCc1ccc(O)cc1O 1639444718 XEAXYYOFAPYDFK-UHFFFAOYSA-N 324.336 1.729 10 10 DDCE CC(C)O[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@H](N=[N+]=[N-])C1 1912164749 YHVWNCAMDRYLKK-SDDRHHMPSA-N 302.400 1.352 10 10 DDCE CON(C)c1nnc(C)n1Cc1ccc(N2CCOCC2)cc1 1771312834 MGHJPDHIBPQARL-UHFFFAOYSA-N 317.393 1.469 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2CNCCO)cc1 1699765221 BQWIMWGXYCDRAP-ZDUSSCGKSA-N 319.365 1.036 10 10 DDCE CCN(CC)c1ccc(CNCC(=O)N(C)CC(=O)O)cc1 1857866228 AFPDWAKBUMNCFD-UHFFFAOYSA-N 307.394 1.165 10 10 DDCE CN1CCN(C(=O)CCNCc2ccc(N(C)C)cc2)CC1 1857863461 YXMGPPOOGOLMBE-UHFFFAOYSA-N 304.438 1.006 10 10 DDCE Nc1ccc(-n2nnc(C(=O)N3CCc4ccccc4C3)n2)cc1 1857879073 TWSAWPSRGBCOLW-UHFFFAOYSA-N 320.356 1.443 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2CN(CCN=[N+]=[N-])CCN2C1=O 1982246131 QILYBBHBTDXVGT-MNOVXSKESA-N 324.385 1.107 10 10 DDCE CC(C)(C)OC(=O)NCC1(CNCc2ccc(N)cc2)COC1 1983399180 LISZGPQMMMVBSV-UHFFFAOYSA-N 321.421 1.900 10 10 DDCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1sc(OC)nc1OC 312537084 QNNZFQPQTXGSMK-LURJTMIESA-N 301.328 1.274 10 10 DDCE CN[C@H](C)c1ccc(N(C)[C@@H](C)CS(C)(=O)=O)c(F)c1 688547192 HJKSOOUBLMFUCC-WDEREUQCSA-N 302.415 1.975 10 10 DDCE COc1ccc([C@H](C)NCCS(=O)(=O)C(C)C)c(O)c1 381184279 QOHAKZFKLLBOIG-NSHDSACASA-N 301.408 1.875 10 10 DDCE CNCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1Br 2043130513 AKBZJYNXAAVGOQ-TXEJJXNPSA-N 315.211 1.100 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@H](O)[C@@H](O)C2)cc1Br 2068405686 HPIAGOJLUYIGFO-JCOFBHIZSA-N 316.195 1.434 10 10 DDCE Nc1cccc(Br)c1N[C@H]1CCNCC[C@H]1CO 2071626676 HZSHPAYGFGLASQ-CABZTGNLSA-N 314.227 1.804 10 10 DDCE COc1cc(OC)c(N(C)CC(C)(CO)CO)cc1Cl 2285854632 DCSSWKBQNXAXNU-UHFFFAOYSA-N 303.786 1.784 10 10 DDCE COc1ccc(CNC(=O)C=Cc2ccc(O)c(O)c2)cn1 2307982201 SQEYUAHFIBKDBK-UHFFFAOYSA-N 300.314 1.831 10 10 DDCE CNC[C@@H](C)C(=O)NCc1ccc(C)c(Br)c1O 2327586196 KZHVRSRKPLKZMX-SECBINFHSA-N 315.211 1.935 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(CC)c(C(=O)O)s1 2339780505 CPLYHTPJTKOGBL-UHFFFAOYSA-N 307.397 1.402 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@H]2CCCC[C@H]2O)cc1F 103311657 RXXDOVMHKFOZMK-DZGCQCFKSA-N 309.385 1.994 10 10 DDCE COc1ccc(O)c(CNC(=O)NCCN2CCCCC2)c1 172064103 MPAYZUXPECPDCV-UHFFFAOYSA-N 307.394 1.686 10 10 DDCE CCc1nc2n(n1)C[C@H](NC(=O)c1ccc(C)c(O)c1O)CC2 182451215 NJAMTPWSCIXCPE-SNVBAGLBSA-N 316.361 1.305 10 10 DDCE CCN(CC(=O)NC)c1ccc(CN)c(Br)c1 228148109 XVMZOYMEUSCKRN-UHFFFAOYSA-N 300.200 1.480 10 10 DDCE COc1ccc(N2CCN(C(=O)Nc3ccncn3)CC2)cc1 194041508 GTHATLWTRTZJET-UHFFFAOYSA-N 313.361 1.839 10 10 DDCE CC[C@H](NC[C@H](O)CO)c1cc(Br)ccc1O 90282493 AXHPUNQBAXHEIL-ONGXEEELSA-N 304.184 1.549 10 10 DDCE COC[C@H](O)CCN[C@H](C)c1ccc(N2CCOCC2)cc1 90949135 FYGKXPSINRLAMG-RHSMWYFYSA-N 308.422 1.571 10 10 DDCE O=C(NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc(O)cs1 802673457 OZJYZZRQQYITRV-MFKMUULPSA-N 311.403 1.751 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(F)c1Br 814506827 NVDMLCYQQDFWDP-UHFFFAOYSA-N 303.083 1.903 10 10 DDCE CC(=O)c1cc(Cl)cc(CN[C@H](CO)c2ccnn2C)c1O 839185920 FOZGIQKWARXSNX-CYBMUJFWSA-N 323.780 1.805 10 10 DDCE CCN(CC(N)=O)C(=O)Cc1cc(C)n(-c2ccccc2)c1C 834311388 WJWVKBUEGLUTLZ-UHFFFAOYSA-N 313.401 1.970 10 10 DDCE C[C@@H]1C[C@@H](S(=O)(=O)Nc2ccc(O)cc2C(=O)O)CCO1 844783041 QYGHIVCOCXXGAG-SCZZXKLOSA-N 315.347 1.400 10 10 DDCE CN(C)c1ccc(CN2C[C@@H]3COC[C@]3(C(=O)O)C2)cc1F 854242650 PHEYOPQIGUBWCG-MLGOLLRUSA-N 308.353 1.425 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)Cc1cc(Cl)ccc1O 697036747 LSNMEHWNZZHXIB-DGCLKSJQSA-N 319.810 1.289 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CS(=O)(=O)C1 868888321 BFAOVGSKAIPTDY-LBPRGKRZSA-N 324.446 1.153 10 10 DDCE COc1ccc(N2CCN(C(=O)CN3CC[C@H]4C[C@H]43)CC2)cc1 761097799 VRXMRRWVWPWSJC-WMLDXEAASA-N 315.417 1.438 10 10 DDCE COC(=O)[C@H]1C[C@@H](O)CN1Cc1cc(F)c(N(C)C)cc1F 1329521105 FPIOJEHWXKRSDP-QMTHXVAHSA-N 314.332 1.139 10 10 DDCE CC(=O)N1CC[C@](C)(C(=O)NCc2cccc(Cl)c2O)C1 890759634 FOTMXEBDQICZJH-HNNXBMFYSA-N 310.781 1.920 10 10 DDCE C[C@H](NC(=O)c1ccccc1)C(=O)NCc1cccc(O)c1O 1303192868 BYXMREQDHMVBBV-NSHDSACASA-N 314.341 1.533 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2cnnn2C)cc1C 1317236134 QYCNOEWTTBADNC-GFCCVEGCSA-N 317.393 1.040 10 10 DDCE CO[C@H](C)CN(C(C)C)S(=O)(=O)Cc1ccc(N)cc1 688030520 KTWMUDCQLPLRCX-GFCCVEGCSA-N 300.424 1.844 10 10 DDCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@H]2CO)cc1Br 698125466 DQDQWOXKESADSJ-LSJOCFKGSA-N 316.195 1.434 10 10 DDCE CCS(=O)(=O)[C@H]1CSCCN1c1ccc(CN)cc1F 90926353 VMRLHHXOXUHCPW-ZDUSSCGKSA-N 318.439 1.598 10 10 DDCE Cc1ccc(O)c(CNC(=O)Cn2nnc3ccccc3c2=O)c1 1453654472 YVVFQUCUJDNBGW-UHFFFAOYSA-N 324.340 1.122 10 10 DDCE COc1cc(CNCCCN(C)C)ccc1N1CCNCC1 212698445 NZOOFKRDPNXKMI-UHFFFAOYSA-N 306.454 1.146 10 10 DDCE CCS(=O)(=O)CCN(C)c1cc(Cl)c(CN)cc1F 2120880565 AVYRJRSZPCYSIM-UHFFFAOYSA-N 308.806 1.809 10 10 DDCE CCNC(=O)NC1(C(=O)NCc2cc(O)ccc2O)CCCC1 1471661060 GKTWTXISKWATOC-UHFFFAOYSA-N 321.377 1.346 10 10 DDCE CC[C@@H](C(=O)NCc1ccc(O)c(O)c1)N1CCO[C@H](CC)C1 1545637094 MOTYTHDWPVGCDC-KGLIPLIRSA-N 322.405 1.603 10 10 DDCE COc1ccc(CC(=O)NCc2cccc(OC)c2O)cc1O 1622779797 WLMMHTHFIGUPTF-UHFFFAOYSA-N 317.341 1.974 10 10 DDCE COCC[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccnc1 1637151321 CFENYZWLHPZWLE-AWEZNQCLSA-N 316.357 1.929 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCn2ncnc21 1638347793 MKUPJNIBKXVZDO-PWSUYJOCSA-N 316.361 1.314 10 10 DDCE C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)NCc1ccccc1O 1631540185 NLQXRYUVZBEQFP-IAQYHMDHSA-N 320.389 1.064 10 10 DDCE c1cnc(NCCNCc2ccc(N3CCOCC3)cc2)cn1 1560396452 BCWYQEMZLXVAPN-UHFFFAOYSA-N 313.405 1.515 10 10 DDCE Nc1ncc(C(=O)NCc2cc(Cl)ccc2O)cc1[N+](=O)[O-] 1640924639 QECGEBAXWZTOOD-UHFFFAOYSA-N 322.708 1.861 10 10 DDCE Cc1c[nH]c(CC(N)=O)c1C(=O)NCc1cc(Cl)ccc1O 1644590804 PVLDYIWKKLRZNH-UHFFFAOYSA-N 321.764 1.640 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(c2ncon2)CC1 1652263097 LSZDSVDAQZAAHH-RQOWECAXSA-N 315.329 1.900 10 10 DDCE Nc1ccc(CCC(=O)N2CCN(c3ncccn3)CC2)cc1 20186650 UDKGIGRWRAJYQR-UHFFFAOYSA-N 311.389 1.340 10 10 DDCE CC1(C(N)=O)CN(c2ccc(CN)c(Br)c2F)C1 1914204023 ZDPVVCKIUOPMST-UHFFFAOYSA-N 316.174 1.359 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](N)C[C@@H]1c1ccc(O)c(O)c1O 1952528255 PZPXJXHPNHKBDH-PSASIEDQSA-N 310.350 1.813 10 10 DDCE CC(C)(C)OC(=O)N1CC=CC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980941476 WGGTYNOYHZHLDA-AVGNSLFASA-N 322.405 1.818 10 10 DDCE CC(C)(C)OC(=O)NCc1nc(=NCc2ccc(N)cc2)[nH][nH]1 1986083569 ZXQDXCLBHVFRLL-UHFFFAOYSA-N 318.381 1.446 10 10 DDCE CCCS(=O)(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN=[N+]=[N-] 701319046 NTIKJZOLFLVEHT-ZJUUUORDSA-N 303.388 1.006 10 10 DDCE COc1nscc1S(=O)(=O)Nc1ccc(O)c(F)c1 714385269 PYXSAVLPALYKIU-UHFFFAOYSA-N 304.324 1.797 10 10 DDCE CNC(=O)CN(C)c1ccc([C@@H](C)NC)cc1Br 723182631 NDTQTZSYQZSDKI-SECBINFHSA-N 314.227 1.912 10 10 DDCE CN[C@@H](C)c1ccc(N2CC(C(N)=O)C2)c(Br)c1 723167609 SXYWTYLVBIIMPM-QMMMGPOBSA-N 312.211 1.651 10 10 DDCE CO[C@@H]1CC[C@H]1CS(=O)(=O)N1CCC[C@H](CN=[N+]=[N-])C1 2239419135 WLVQNKCMJHHYNJ-GRYCIOLGSA-N 302.400 1.764 10 10 DDCE CC[C@H](CC(=O)O)NC(=O)NCc1cnc(SC)s1 2269096715 XNBGFMWZURGVGF-SSDOTTSWSA-N 303.409 1.918 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@@H]2CNC(C)(C)C2)s1 2269090809 QPFITMYEZPCMKF-VIFPVBQESA-N 321.493 1.425 10 10 DDCE CSc1ncc(CNC(=O)N[C@@]2(C(=O)O)C[C@@H]2C)s1 2269102644 XMQOKQKKXYPVOH-KGFZYKRKSA-N 301.393 1.527 10 10 DDCE CC[C@H](C)N1C(=O)C(=CNCc2ccco2)C(=O)NC1=S 2296943078 PJISXNONRCJRPB-VIFPVBQESA-N 307.375 1.295 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@H]3CO)cc1Br 2311891769 XDEXLWBJRVQQRZ-JKOKRWQUSA-N 311.223 1.986 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 112943735 BLLBSLXLIWSIQJ-LALPHHSUSA-N 310.419 1.756 10 10 DDCE COc1cccc(CN2Cc3ccccc3C[C@H]2C(N)=O)c1O 119825883 CSWUKXHUGXKVBA-HNNXBMFYSA-N 312.369 1.813 10 10 DDCE CN(Cc1ccc(F)cc1O)[C@@H]1CC[C@H](S(C)(=O)=O)C1 2361676092 DYBHBGSAESGUBD-OLZOCXBDSA-N 301.383 1.929 10 10 DDCE O=C(CNCc1cc(Br)ccc1O)N1CCCC1 227436520 NJLGQCPXIWKIFX-UHFFFAOYSA-N 313.195 1.867 10 10 DDCE C[C@H]1CCCCN1S(=O)(=O)Nc1ccc(O)cc1C(=O)O 48847222 HZGLXSHZYOSNSF-VIFPVBQESA-N 314.363 1.622 10 10 DDCE COc1cccc(CN2CCCN(c3cccnn3)CC2)c1O 93150695 ODQHEXSZYUKUOU-UHFFFAOYSA-N 314.389 1.903 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)c1 252015017 YARCOWLEVWQIFK-GZBFAFLISA-N 306.362 1.768 10 10 DDCE CC(=O)N[C@H]1CCN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 252797162 IYIWYSIQZFBVAB-SDBXPKJASA-N 308.769 1.007 10 10 DDCE O=C(O)c1cc(Br)cc(CN2CCOCC2)c1O 642880411 QGFMWMLXTZWVCW-UHFFFAOYSA-N 316.151 1.685 10 10 DDCE CO[C@@H]1CN(c2ccc(CN)cc2Br)C[C@H]1O 395943564 GVCCIPBKHJTTHK-VXGBXAGGSA-N 301.184 1.104 10 10 DDCE COC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)c1cccc(O)c1O)C2 819791795 HLEACNUBAWTZNU-WCQGTBRESA-N 320.345 1.447 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@H](C(=O)O)[C@@H]2CCOC2)cc1 901801639 SFPAADKXHGJNBX-WVSRPDOZSA-N 304.390 1.845 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]12C[C@H]1COC2(C)C 831931801 URNDNEGVTUBDJF-YOIRWDDOSA-N 305.374 1.960 10 10 DDCE COc1ccc(CNC(=O)Cc2cn3c(n2)CCCC3)c(O)c1 846060873 IPXMYVSXGHQYGJ-UHFFFAOYSA-N 315.373 1.793 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)OC[C@H]1CN(C2CC2)C(=O)O1 845135204 AQDIJPWYECSBIQ-DBGMKRSLSA-N 319.313 1.637 10 10 DDCE CCN(CC)c1ccc(CNC(=O)C[C@@H](C)NC(N)=O)cc1F 847476252 XTNAQCRRNWEFDY-LLVKDONJSA-N 324.400 1.735 10 10 DDCE O=C(CSc1nnnn1C1CC1)NCc1c(O)cccc1F 928710252 RHUUYZHZZWNNQW-UHFFFAOYSA-N 323.353 1.261 10 10 DDCE CCN1CCC[C@H](NC(=O)NCc2c(O)cccc2F)C1=O 925989293 RURGGJJFMCXMFR-LBPRGKRZSA-N 309.341 1.341 10 10 DDCE O=C(O)c1cnn2c(O)cc(CN3C[C@H]4CC[C@@H](C4)C3)nc12 851708996 DKIYQVJTYPJJNM-UWVGGRQHSA-N 302.334 1.365 10 10 DDCE CC(C)(C)N1CC[C@H](NC(=O)NCc2c(O)cccc2F)C1=O 923019658 UMZFERGIVDKOGQ-LBPRGKRZSA-N 323.368 1.730 10 10 DDCE CN1C[C@@H](CCNCc2ccc(N3CCOCC3)cc2)CC1=O 922485829 JSZFAICLQVCARI-INIZCTEOSA-N 317.433 1.481 10 10 DDCE O[C@@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)C12CCC2 850388387 MCYOEKFANCGGDU-IAGOWNOFSA-N 302.418 1.916 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@H](OC)C3)C2)cc1 858599526 NRLBKELKOWYUIX-XEZPLFJOSA-N 319.405 1.751 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@@H](O)c3cnc[nH]3)ccc21 865054059 OVQVJXZSOCRIPJ-HNNXBMFYSA-N 300.362 1.142 10 10 DDCE COc1cccc([C@@H](C)NC[C@@]23COCCN2C(=O)OC3)c1O 866521088 FRJVZRSOCWVZBV-BZNIZROVSA-N 322.361 1.273 10 10 DDCE COC(=O)[C@H](C1CC1)N(C)Cc1ccc(N2CCOCC2)cc1 782033130 OMJGUSOFWYUPBY-KRWDZBQOSA-N 318.417 1.907 10 10 DDCE CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC12CC2 1345234291 IBNNARVQBJYJBW-NEPJUHHUSA-N 319.357 1.488 10 10 DDCE COC(=O)CN(C(=O)/C=C/c1cn(C)cn1)c1cccc(F)c1 1516177998 RROSQCRHJSGQMI-VOTSOKGWSA-N 317.320 1.779 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2ccn(C)n2)cc1C 1716464559 ZMCBJCODOGPEBQ-ZDUSSCGKSA-N 316.405 1.645 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2cccnn2)cc1C 1497945454 KPVQXMNWVSYTOV-CYBMUJFWSA-N 314.389 1.702 10 10 DDCE C[C@@H](NC(=O)NCc1nc(N(C)C)no1)c1ccccc1O 1564739871 DEKDDAVPZRYJBN-SECBINFHSA-N 305.338 1.402 10 10 DDCE C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1O 1643738799 RETDJXVTWCWFLV-SNVBAGLBSA-N 304.306 1.764 10 10 DDCE CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(=O)NC1=S 5393362 ADNXDRKETBYMAQ-XFXZXTDPSA-N 303.387 1.399 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N1CCN[C@@H](c2ccccc2)C1 1866303097 LEILSBVXBBBMQP-CYBMUJFWSA-N 314.341 1.590 10 10 DDCE CN(Cc1ccccc1)C1CN(c2ccc3c(c2)NC(=O)[C@H]3N)C1 1914195723 RJCYSOHNCFANCH-SFHVURJKSA-N 322.412 1.959 10 10 DDCE CS(=O)(=O)CCSCCCC(=O)Nc1ccc(N)cc1 111004127 LCGRMVGLMQKDCV-UHFFFAOYSA-N 316.448 1.765 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1Br 2136609024 YEWMHCGWGXUXEJ-XDRUHAPNSA-N 324.222 1.636 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1Br 2136616040 YEWMHCGWGXUXEJ-UVRHIYEWSA-N 324.222 1.636 10 10 DDCE NCc1ccc(N2CCC3(CC2)CS(=O)(=O)C3)cc1Cl 2150336692 LLPMMEDDWAVEKM-UHFFFAOYSA-N 314.838 1.814 10 10 DDCE CC(C)(C)OC(=O)N[C@@]1(c2ccc(O)c(O)c2)C[C@@H]1C(=O)O 1952774510 IALBAEDHAZQWFI-RFAUZJTJSA-N 309.318 1.922 10 10 DDCE Cc1cc(O)ccc1NS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 2145852638 BXOCRWAUKFULSE-QWRGUYRKSA-N 300.380 1.467 10 10 DDCE O=C(O)C1[C@H]2CN(Cc3ccc(Br)cc3O)C[C@H]12 2027119486 KODRPCIZVFLZBJ-UWVGGRQHSA-N 312.163 1.917 10 10 DDCE COC1(CO)CN(c2ccc([C@@H](C)O)c(Br)c2)C1 2039556732 VWJYRWNMWXKBTO-SECBINFHSA-N 316.195 1.700 10 10 DDCE CCOC(=O)[C@](C)(CCS(C)(=O)=O)NCCCN=[N+]=[N-] 2160827459 KEPRMSJKRRHTSD-NSHDSACASA-N 306.388 1.033 10 10 DDCE NCc1ccc(N2C[C@@H]3[C@@H](CO)C[C@H]3C2)cc1Br 2053981749 JZODAKLJYIWTEV-LOWVWBTDSA-N 311.223 1.972 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H]3[C@H]2CO)cc1Br 2078275001 UKGJUUSTTAORAI-ZKYQVNSYSA-N 311.223 1.986 10 10 DDCE Oc1c(Br)cccc1CNC[C@H]1Cc2nncn2C1 2111433967 NQQGEYAVZHOLGN-SECBINFHSA-N 323.194 1.708 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CC[C@H](C2OCCO2)C1 2089608004 BCMWWJVOHUDQAT-NEPJUHHUSA-N 305.378 1.291 10 10 DDCE C[C@@H](N)c1ccc(N2CC(=O)N[C@@H]3CC[C@@H]32)cc1Br 2112059445 YBMHDUFTIZFIBG-WQHBLYJGSA-N 324.222 1.936 10 10 DDCE N=c1nnc(OCc2cc(Br)ccc2Cl)n[nH]1 2252737610 OKDCYMFBGPUCFN-UHFFFAOYSA-N 316.546 1.674 10 10 DDCE O=C(O[C@@H]1CCN(Cc2ccccc2)C1)c1cc(O)nc(O)c1 2244812059 WJOQLYKSIMLRKQ-CQSZACIVSA-N 314.341 1.924 10 10 DDCE NCc1ccc(N2CCS(=O)(=O)C3(CCC3)C2)cc1Cl 2279702348 HWGFTCXSMOGIPG-UHFFFAOYSA-N 314.838 1.956 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2C[C@@H]3NCCO[C@@H]3C2)s1 2284493949 HQBQKLGFSVKFLQ-DVVUODLYSA-N 313.448 1.248 10 10 DDCE CSc1ncc(CNc2cc(=NN)[nH]n3ccnc23)s1 2284716264 YOZWIGJOFDBTFT-UHFFFAOYSA-N 307.408 1.227 10 10 DDCE NCc1cc(F)c(N2CC(O)(C(F)(F)CO)C2)cc1Cl 2288523322 JMDZRBOHZQLEQG-UHFFFAOYSA-N 310.703 1.117 10 10 DDCE CCN(CC)C(=O)CCCNC(=O)C=Cc1ccc(O)c(O)c1 2307987099 DFIZCRIROZSXMP-UHFFFAOYSA-N 320.389 1.876 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@H]1Cn1ccnc1 2308001790 PAJFTUADKYTZEX-AWEZNQCLSA-N 313.357 1.999 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)c(Cl)c1 2358208605 YNUPHGFZQUKNFI-XAGKMFGPSA-N 302.777 1.500 10 10 DDCE CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCO 95482940 XFKKTGWSKMDNHF-UKTHLTGXSA-N 316.386 1.875 10 10 DDCE CCOC(=O)c1c(NC(=O)c2cc(O)c(O)c(O)c2)n[nH]c1C 1148582208 ZZPVKTHGTHHULR-UHFFFAOYSA-N 321.289 1.264 10 10 DDCE COc1cccc(C(=O)COC(=O)c2cccc(O)c2O)n1 811188884 BTYUODHHQRFQAP-UHFFFAOYSA-N 303.270 1.541 10 10 DDCE COC(=O)C1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1 824120426 CPSZLPHUUIGBFR-UHFFFAOYSA-N 321.354 1.996 10 10 DDCE CC[C@@H](NC[C@]1(CO)COCCN1C)c1ccc(N(C)C)cc1 903282394 SUJPAODCHXWKGQ-MSOLQXFVSA-N 321.465 1.486 10 10 DDCE COc1ccc(N2CCN(C[C@@H]3CC[C@H](N)C3)CC2)c(OC)c1 903476308 UDBWRFIUOUYLAL-CABCVRRESA-N 319.449 1.953 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)COC1CC1 911311454 RUZFOIQALGJNKA-UHFFFAOYSA-N 307.346 1.463 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N(C)CCN(C)C)C2)cc1 854299671 JZMLBMPVYVSZCD-AWEZNQCLSA-N 320.437 1.477 10 10 DDCE O=C(NC[C@]1(c2ccccc2)C[C@H](O)C1)c1cccc(O)c1O 928128169 NQEDGYRXVOQNHA-KTXOBNNYSA-N 313.353 1.920 10 10 DDCE COC(=O)CCNC(=O)CCNCc1c(O)cccc1Cl 858293640 XOHLMBHADQZWCZ-UHFFFAOYSA-N 314.769 1.205 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2C[C@H]3COC[C@]3(C)C2)cc1 852534117 GZNTWCURHKRTPO-YJBOKZPZSA-N 317.433 1.337 10 10 DDCE C[C@@H]1C[C@@H](NC[C@@H](O)CS(C)(=O)=O)c2c(O)ccc(F)c21 927022572 FRBFIUCEGURXIV-FXPVBKGRSA-N 317.382 1.075 10 10 DDCE CCOC(=O)CN1C(=O)/C(=C/c2cnn(C)c2)c2ccccc21 755412380 ZZTWXFZEJMBWFB-RIYZIHGNSA-N 311.341 1.870 10 10 DDCE Oc1cc2c(cc1CN1CC[C@](O)(C(F)(F)F)C1)[C@@H](O)CO2 762184942 PFZCSJATXGORRM-WCQYABFASA-N 319.279 1.317 10 10 DDCE COC(=O)CSCCNC(=O)N[C@@H](C)c1ccccc1O 868222445 YTJQDLLBBVGSQW-JTQLQIEISA-N 312.391 1.659 10 10 DDCE CCOc1ccc(O)c(CN2CCN3C(=O)OCC[C@H]3C2)c1 770392301 PGFXMADMIHAOSF-ZDUSSCGKSA-N 306.362 1.817 10 10 DDCE CCOc1ccc(CN[C@@H]2C(=O)NCC23CCOCC3)c(O)c1 895773778 SQWFVBDTVBQWFZ-OAHLLOKOSA-N 320.389 1.176 10 10 DDCE C[C@@]1(C(=O)NCCCSc2nccs2)CCC(=O)NC1 798964932 REWYDWCMOVTTEF-CYBMUJFWSA-N 313.448 1.658 10 10 DDCE Cc1ccc(C(=O)Nc2cncnc2-n2cccn2)c(O)c1O 1143870441 YRENVJBDPKFCAX-UHFFFAOYSA-N 311.301 1.634 10 10 DDCE C[C@@]1(CNC(=O)Cc2ccc(O)c(O)c2)CCO[C@H]1C1CC1 1153798465 YWIJUFQJUJUOEX-IRXDYDNUSA-N 305.374 1.962 10 10 DDCE COC(=O)Cc1cccc(NC(=O)Cc2ccc(O)c(O)c2)n1 1154217653 XURJKTSHJOKWRO-UHFFFAOYSA-N 316.313 1.390 10 10 DDCE NC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)o1 1162613008 UUCAITLPLCEYTI-UHFFFAOYSA-N 311.297 1.562 10 10 DDCE C[C@H](NC(=O)c1cccs1)C(=O)NCc1ccc(O)cc1O 1162278773 LWNFVBNJJIRUDL-VIFPVBQESA-N 320.370 1.594 10 10 DDCE COC(=O)[C@@H](Cc1ccccc1O)NC(=O)c1cc(O)cs1 1167469998 FXASPVBZMLBUET-LLVKDONJSA-N 321.354 1.673 10 10 DDCE COc1ncc(/C=C\C(=O)NCc2cc(O)ccc2O)cn1 1176748323 OTKWHOBYYYPDOQ-DJWKRKHSSA-N 301.302 1.226 10 10 DDCE C[C@H](OCc1ccccc1)[C@H](N)C(=O)NCc1ccccc1O 706070884 RMNIBDPLYQJPBC-GUYCJALGSA-N 314.385 1.941 10 10 DDCE CN(C)C[C@H](O)CNCc1cccc(Br)c1O 717344391 WTAIQJJKMJCQJV-SNVBAGLBSA-N 303.200 1.167 10 10 DDCE CCS(=O)(=O)[C@H]1CSCCN1Cc1cc(N)ccc1O 90926549 FKIBNUJVFAZVEZ-ZDUSSCGKSA-N 316.448 1.284 10 10 DDCE O=C(c1cccc(O)c1O)N1CCC(Cc2cnc[nH]2)CC1 1348022402 IESONFQYLFPGEX-UHFFFAOYSA-N 301.346 1.916 10 10 DDCE NC(=O)CCN(C(=O)/C=C/c1cncc(O)c1)c1ccccc1 181958076 ARVCWLSPKZFRRL-VOTSOKGWSA-N 311.341 1.709 10 10 DDCE COC(=O)c1cccc(C(=O)NCc2cc(C)ccc2O)n1 1470254838 LTSYPBCLDJJCOL-UHFFFAOYSA-N 300.314 1.812 10 10 DDCE Cc1nc([C@H]2CCN(C(=O)c3ccc(C)c(O)c3O)C2)n[nH]1 1630100529 NCEJNWCFJJUNMN-JTQLQIEISA-N 302.334 1.462 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)Cn2ccnc2)cc1C 1733025221 UXWFAVIHKZVNKA-AWEZNQCLSA-N 316.405 1.495 10 10 DDCE CCC(=O)N(CC)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1581118608 GMHMQMZFGCHATF-UHFFFAOYSA-N 319.365 1.837 10 10 DDCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCCCF 1662430227 SXPVKSMJRQJDBY-JTQLQIEISA-N 309.345 1.917 10 10 DDCE CS(=O)(=O)N1CC[C@@H](CN2CCC[C@@H](CN=[N+]=[N-])C2)C1 1912205000 ZVFCBOYRPQJIQH-RYUDHWBXSA-N 301.416 1.290 10 10 DDCE CC(C)NC(=O)[C@H]1COCCN1c1ccc(CN)cc1Cl 159329304 KDFJWGLXDVPMJV-CQSZACIVSA-N 311.813 1.529 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@@H]2CCNC2=O)c(Br)c1 1916797912 DCQLFPKSNSRHKR-QPUJVOFHSA-N 313.195 1.827 10 10 DDCE COc1cc(Cl)cc(CNC[C@@]2(C)COCCO2)c1O 1967797093 NNQHGRIQFQURBO-AWEZNQCLSA-N 301.770 1.949 10 10 DDCE COc1cccc(O)c1CN(C)CCS(=O)(=O)C(C)C 1971965993 HBDZENWNOAISOP-UHFFFAOYSA-N 301.408 1.656 10 10 DDCE COc1ccc(N2CC(O)(CNC(=O)OC(C)(C)C)C2)c(N)c1 1977934212 JIPJSNFDEJUSJW-UHFFFAOYSA-N 323.393 1.353 10 10 DDCE CCS(=O)(=O)CCN(C)[C@H](C)c1ccc(OC)cc1O 2170568404 UWVUGGVBNXHZRM-LLVKDONJSA-N 301.408 1.828 10 10 DDCE Nc1ccc(CS(=O)(=O)NCCCc2nncs2)cc1 2192805809 UTPKNDHPPFMEDK-UHFFFAOYSA-N 312.420 1.173 10 10 DDCE O=S1(=O)C[C@H]2CN(Cc3cccc(Cl)c3O)C[C@@H]2C1 2087858120 IEWVUQDVJAMJTN-GHMZBOCLSA-N 301.795 1.522 10 10 DDCE C[C@H](Sc1ncc(C(C)(F)F)s1)C(=O)NCC(=O)O 2264514831 XDOYZQBMMHFZFN-YFKPBYRVSA-N 310.347 1.936 10 10 DDCE COC[C@@H](CN)N(C)Cc1ccc(C)c(Br)c1O 2327596648 NKYUESTYLZWBRW-LLVKDONJSA-N 317.227 1.869 10 10 DDCE Cc1ccc(CN2CC[C@H]2[C@@H](O)CO)c(O)c1Br 2327800172 HEGZQVOVVUGUGB-QWRGUYRKSA-N 316.195 1.391 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCCN[C@H]2C)s1 2345358179 ZTESHXPNVLPIIG-UFBFGSQYSA-N 301.437 1.550 10 10 DDCE CC(=O)N(C(=O)C(=O)N[C@@H]1CCCC[C@H]1C)c1ccc(N)cc1 170318638 QPRHBTKBFSMYAM-IAQYHMDHSA-N 317.389 1.843 10 10 DDCE COc1ccc(O)c(CN2CCN(c3cccnn3)CC2)c1 179972478 IOTBTDOXCYGENW-UHFFFAOYSA-N 300.362 1.513 10 10 DDCE Cc1cc(C(=O)N[C@]2(CO)CCOC2)c(C)n1-c1ccccc1 182861908 LMTXHIRVPJBALX-SFHVURJKSA-N 314.385 1.975 10 10 DDCE COc1cc(Cl)c(N2C[C@H](O)[C@@H](O)[C@@H]2CF)c(OC)c1 2368287133 DQGUBULDXHQNIM-KWBADKCTSA-N 305.733 1.237 10 10 DDCE C[C@H](C[S@](C)=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 248493568 PGUFTKQXHCMEAX-LKBUQDJMSA-N 310.463 1.941 10 10 DDCE O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cn[nH]c1 611027808 CUHODRODYZLWPZ-YHYXMXQVSA-N 309.285 1.972 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H]3CCCC[C@H]32)c1 365809306 JWKASMMYWILWPM-ZWNOBZJWSA-N 324.402 1.778 10 10 DDCE CCN(CC(F)F)S(=O)(=O)CCOc1ccc(N)cc1 386044655 UIOQXNCQLJDQMA-UHFFFAOYSA-N 308.350 1.564 10 10 DDCE COC(=O)CN(CC(=O)OC)Cc1cc(Cl)c(F)cc1O 295415592 RVYSUCWORNWILT-UHFFFAOYSA-N 319.716 1.333 10 10 DDCE CN1C[C@H]2CCN(Cc3ccc(N4CCOCC4)cc3)[C@H]2C1 814173113 GGXAZBPYYUZVSC-AEFFLSMTSA-N 301.434 1.659 10 10 DDCE COc1cccc(CNC(=O)c2cc3c([nH]2)CCOC3)c1O 837485259 MBNJQGAUBGYHAL-UHFFFAOYSA-N 302.330 1.732 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@@H](CF)C1=O 842264959 OXBMFHYUKKNTSD-FZMZJTMJSA-N 307.369 1.882 10 10 DDCE C[C@@H]1[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1C 915390800 QMZWZBUSYDENMF-CZUORRHYSA-N 316.449 1.961 10 10 DDCE CO[C@@H](CS(=O)(=O)NCc1cc(Cl)ccc1O)C1CC1 845995916 ISHJYSHNZGSXFX-ZDUSSCGKSA-N 319.810 1.890 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NCC23CC(CN2)C3)c1 851676453 BKBCLRQIMCXTAQ-SGWRBKMISA-N 305.378 1.513 10 10 DDCE COc1ccc(N2CCN([C@@H]3CCN(OC)C3=O)CC2)cc1F 929824604 XHEUJIBDJYZVLO-CQSZACIVSA-N 323.368 1.119 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCC2(COC2)C1 853748446 GNJMLBNIXPZXGO-UHFFFAOYSA-N 303.406 1.993 10 10 DDCE COc1ccc(N2CC[C@@H](N[C@H]3CCC(=O)NC3(C)C)C2)cc1 850487842 POFMBVRYBMSWLT-CJNGLKHVSA-N 317.433 1.921 10 10 DDCE C[C@H](NC(=O)NC[C@H]1COCCN1C)c1ccc(N(C)C)cc1 858368946 PVKQZXWPKFDMLB-BBRMVZONSA-N 320.437 1.443 10 10 DDCE Cc1nc([C@@H]2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)no1 927329489 GGGAEHYFIIQFBN-KTLBGCOUSA-N 315.329 1.819 10 10 DDCE O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2O)s1 751151125 RCMJVRPTDYAUKB-UHFFFAOYSA-N 314.344 1.840 10 10 DDCE COc1ccc(O)c(CNC(=O)c2c[nH]nc2[C@H]2CCCO2)c1 866765828 BVTHVFLNEKKFDZ-CQSZACIVSA-N 317.345 1.905 10 10 DDCE Nc1ccc(CS(=O)(=O)N(CCO)Cc2ccccc2)cc1 390779642 IIVNSHHYUNQCEK-UHFFFAOYSA-N 320.414 1.593 10 10 DDCE Oc1cccc(Br)c1CN[C@@H]1CCn2nnnc2C1 1875673304 JCEGGQPHQBJWDY-MRVPVSSYSA-N 324.182 1.246 10 10 DDCE CN(CC(=O)NC(C)(C)C)Cc1cc2c(cc1O)OC[C@@H]2O 768442077 OIYRHNIOJFPNEE-ZDUSSCGKSA-N 308.378 1.165 10 10 DDCE Cc1ccc(C(=O)OCc2nnc(C)n2C2CC2)c(O)c1O 774938829 FKNOEDQJTSYCBB-UHFFFAOYSA-N 303.318 1.998 10 10 DDCE CCn1cc(CN2CCN(c3ccc(OC)cc3)CC2)nn1 883996142 LVKVHOBMJZEUBT-UHFFFAOYSA-N 301.394 1.629 10 10 DDCE COc1cc(C)cc(CN(C)[C@H](C)CN2CCOCC2)c1O 788379922 XYUISXDVUWVODZ-CQSZACIVSA-N 308.422 1.862 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@](O)(C3CC3)C2)cc1 1139209597 ZNYSXFWYMIIERO-OAHLLOKOSA-N 302.334 1.836 10 10 DDCE CNC(=O)[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1O)C(C)C 785588657 HTFJFQSEIIYNJF-NSHDSACASA-N 315.757 1.814 10 10 DDCE C[C@H]1C(=O)N(CCN(C)C)CN1Cc1cc(F)cc(F)c1O 895085171 KHGZORIGAHXBBS-JTQLQIEISA-N 313.348 1.222 10 10 DDCE CO[C@@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCOC1 897404482 DGHSLYSQXSXEMT-OAHLLOKOSA-N 323.370 1.848 10 10 DDCE C[C@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C(=O)O1 897764658 MNOBZBGYBWIQBH-POYBYMJQSA-N 307.327 1.746 10 10 DDCE COc1ccc(CNS(=O)(=O)N2CCC[C@H](C)C2)c(O)c1 795357973 VGJNVYUNJYGYEY-NSHDSACASA-N 314.407 1.467 10 10 DDCE COc1cccc(O)c1CNCC(=O)NCc1ccccc1 1958764939 POLNJYPFKKPOJD-UHFFFAOYSA-N 300.358 1.807 10 10 DDCE CCOc1c(/C=C2/C(=O)NC(=O)N(C)C2=O)cccc1OC 1084234158 VARPNGUFPSHNOJ-NTMALXAHSA-N 304.302 1.186 10 10 DDCE [N-]=[N+]=NCCN[C@@H](C(=O)O)c1ccncc1Br 703776663 ANMBTJGQUROOPH-MRVPVSSYSA-N 300.116 1.870 10 10 DDCE CNCc1ccc(N2CCSC[C@H]2S(C)(=O)=O)cc1C 90923180 TVZPUWICUFWACD-CQSZACIVSA-N 314.476 1.638 10 10 DDCE COc1ccc(CNC[C@@H](O)CN(C)C(=O)C(C)(C)C)cc1C 1332591769 LLWBORORMYVBJY-OAHLLOKOSA-N 322.449 1.959 10 10 DDCE O=C(NC[C@]12CCCC[C@H]1C2)C(=O)N1Cc2cccc(O)c2C1 1354871362 RXZDMLRWLBWQJI-SCLBCKFNSA-N 314.385 1.931 10 10 DDCE COC(=O)c1nc(C(=O)NCCc2ccc(O)c(O)c2)cs1 1445940649 VLWDJYNESBLBTD-UHFFFAOYSA-N 322.342 1.313 10 10 DDCE CCOC(=O)CCN(CC1CC1)C(=O)Cc1ccc(O)c(O)c1 1626576339 ZIPGAUFINRKXBS-UHFFFAOYSA-N 321.373 1.832 10 10 DDCE COc1ccccc1C(=O)C(=O)NCc1c(O)cccc1O 1639292932 WETNZNMJIMQAIT-UHFFFAOYSA-N 301.298 1.606 10 10 DDCE CC(C)N1CCN(CCC(=O)NCc2cc(O)ccc2O)CC1 1637125923 HGDTYOXGTXGZBW-UHFFFAOYSA-N 321.421 1.130 10 10 DDCE CN(C)c1ccc(CNC(=O)CCN2CC[C@@H](F)C2)cc1F 1631438515 SLFLVNDZSQOERD-CYBMUJFWSA-N 311.376 1.942 10 10 DDCE COC(=O)c1cc(CNC(=O)c2ccc(C)c(O)c2O)ccn1 1634208648 RVUIQFZFAHZCKY-UHFFFAOYSA-N 316.313 1.518 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cn(-c2cccnc2)nn1 1643881839 HTSXMEHOBXGEPZ-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE COCCN(C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1570753442 JRLAQFYJPCOWIP-NSHDSACASA-N 321.381 1.546 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cnn3c(=O)cc[nH]c23)cc1 1587317407 YSMBVZWNPOMPPV-UHFFFAOYSA-N 311.345 1.019 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCN(CCOC2CCS(=O)(=O)CC2)C1 1912180955 IKISDRCUNKEWRV-NSHDSACASA-N 302.400 1.212 10 10 DDCE COc1ccc(CNC(=O)N[C@@H](C)c2nnc(C)o2)c(O)c1 1687871575 VTMUVYRBZGACBD-QMMMGPOBSA-N 306.322 1.653 10 10 DDCE NC(=O)[C@H]1COCCN1c1ccc(/C=C/C(=O)O)cc1Cl 159024613 PENKYBMGRXZHNX-FXMSTWTQSA-N 310.737 1.128 10 10 DDCE CS(=O)(=O)CC1CC(NCc2cc(F)cc(F)c2O)C1 1974459619 SUGAQWXHPICIBC-UHFFFAOYSA-N 305.346 1.583 10 10 DDCE CS(=O)(=O)N1CCC(N2CCC[C@H](N=[N+]=[N-])CC2)CC1 2155553090 DMFLHXWLYIDUGW-NSHDSACASA-N 301.416 1.575 10 10 DDCE CC1(C)CN(c2ccc(CO)c(Br)c2)CC(=O)N1 2033065515 VNPZTZWSOZYKKB-UHFFFAOYSA-N 313.195 1.656 10 10 DDCE Oc1c(Br)cccc1CNC[C@H]1C[C@@H](O)CCO1 2036670484 BITHDNZBQSBHFZ-WDEREUQCSA-N 316.195 1.784 10 10 DDCE CN(Cc1cnnn1C)c1ccc(CN)c(Br)c1 2038823280 SPAQLQQAZZMGGL-UHFFFAOYSA-N 310.199 1.673 10 10 DDCE CCC(CO)(CO)NCc1ccc(C)c(Br)c1O 2327800703 NCOJVPUPKLRMOK-UHFFFAOYSA-N 318.211 1.686 10 10 DDCE CN(c1ccc(CN)c(Cl)c1)[C@@H]1CCN(S(C)(=O)=O)C1 380461220 PFJVRJURVFFXPU-GFCCVEGCSA-N 317.842 1.269 10 10 DDCE COc1ccc(N(C)CCS(=O)(=O)C(C)(C)C)c(N)c1 2170439887 DFAOKKDEFAVWQI-UHFFFAOYSA-N 300.424 1.927 10 10 DDCE CN(Cc1ccc(N)cc1)Cc1nn(C)nc1Br 2048805205 PLPRIWFVEDKGRG-UHFFFAOYSA-N 310.199 1.792 10 10 DDCE Cn1nc(Br)c(CNCc2ccc(O)c(O)c2)n1 2219793898 IVOWOEQVXZZGIU-UHFFFAOYSA-N 313.155 1.279 10 10 DDCE COc1ccc(Br)c(CN2C[C@@H](C)[C@@H](N)C2)c1O 2220452601 WSZWJYUGXBTFJC-KCJUWKMLSA-N 315.211 1.942 10 10 DDCE COC(=O)C1(CNCc2cnc(SC)s2)CCOCC1 2284540390 AYPTWKATBTZSFC-UHFFFAOYSA-N 316.448 1.924 10 10 DDCE CCC[C@H]1C(=O)NC(=O)N(Cc2cnc(SC)s2)C1=O 2284664497 FWLSAZVKTQPTGW-QMMMGPOBSA-N 313.404 1.860 10 10 DDCE COC(=O)c1cc(CNCc2cnc(SC)s2)n(C)n1 2284697548 GMVOXINKGUYMBX-UHFFFAOYSA-N 312.420 1.675 10 10 DDCE COc1cc(OC)c(N2C[C@@H](CO)[C@@H](CO)C2)cc1Cl 2285874319 UESKNLPWTWGAFT-AOOOYVTPSA-N 301.770 1.394 10 10 DDCE Cc1ccc(N2NC(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1 2297321496 XDCQKMGRYASMFB-UHFFFAOYSA-N 310.309 1.868 10 10 DDCE C[C@H](N)c1ccc(N2CC([C@H](O)CO)C2)c(Br)c1 2315166372 MDPVEKLOTBCYRX-ISVAXAHUSA-N 315.211 1.258 10 10 DDCE CN1C(=O)C(=Cc2ccccc2OCC2CC2)C(=O)N(C)C1=O 63427831 XQDPSCROUCJZEE-UHFFFAOYSA-N 314.341 1.909 10 10 DDCE Nc1ccccc1C(=O)NC(=O)Nc1cc(O)c(O)c(O)c1 217278873 JIFCIHNWANITEB-UHFFFAOYSA-N 303.274 1.348 10 10 DDCE O=C(O)[C@H]1CCCCN1S(=O)(=O)Nc1ccc(O)c(F)c1 70330074 RHVTWHNGXWCMSD-SNVBAGLBSA-N 318.326 1.127 10 10 DDCE CCCn1cc(S(=O)(=O)NCc2ccccc2O)nc1C 228425548 CMTKZUVRKXWUBC-UHFFFAOYSA-N 309.391 1.786 10 10 DDCE C[C@H](N)c1ccc(N2CCN(C)C(=O)C2)cc1Br 235509863 DQVIZODTJMXCAE-VIFPVBQESA-N 312.211 1.747 10 10 DDCE CCC(=O)N1CSC[C@H]1C(=O)NCc1cccc(OC)c1O 264295855 WBVABEWAHGYSJH-NSHDSACASA-N 324.402 1.329 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CC[C@](O)(C4CC4)C3)cc2N1 377467196 CTQIOSHCDKPVQH-OAHLLOKOSA-N 319.317 1.277 10 10 DDCE COc1cccc(CNC(=O)C[C@@H]2CCOC[C@@H]2OC)c1O 295062370 KWJAWQJFUMZYML-FZMZJTMJSA-N 309.362 1.459 10 10 DDCE CCOC(=O)C1(O)CCN(Cc2ccc(N(C)C)c(C)c2)CC1 292733461 GTKXMIPWDCPIKI-UHFFFAOYSA-N 320.433 1.951 10 10 DDCE COc1ccc(N2CCN(CCNC(=O)CSC)CC2)cc1 299521667 YVVXUDCWLMWONJ-UHFFFAOYSA-N 323.462 1.296 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)c1ccnc2c1CC(=O)N2 827957898 WJVXLVUDXISPTM-UHFFFAOYSA-N 324.384 1.881 10 10 DDCE COc1cc(O)c(CN2CC[C@](O)(C(F)F)C2)cc1OC 824726765 SWEMXESTKSBADV-CQSZACIVSA-N 303.305 1.611 10 10 DDCE CN[C@@H](C)c1ccc(N(C)C(CO)CO)cc1Br 386417372 YWCPSYZHQGBPQX-VIFPVBQESA-N 317.227 1.519 10 10 DDCE CN(C)c1ccnc(NC(=O)NCCc2ccc(N)cc2)n1 841173963 PMVHAZBYLBKKSP-UHFFFAOYSA-N 300.366 1.489 10 10 DDCE CCO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1SC 844150688 IZTBNJHSEUVRPG-JQEORGNBSA-N 315.366 1.876 10 10 DDCE COC(OC)[C@H](C)NCc1ccc(N2CCN(C)CC2)cc1 922314580 JLJPCEKPJRDDEN-AWEZNQCLSA-N 307.438 1.535 10 10 DDCE O=S(=O)(CC[C@@H]1CCCO1)NCc1c(O)cccc1F 921452754 YQOKTBZMLYKLOU-JTQLQIEISA-N 303.355 1.520 10 10 DDCE COc1cc2c(cc1C(=O)NCc1ccc(O)c(O)c1)OCO2 759963438 RZPWEXXQSFHJGR-UHFFFAOYSA-N 317.297 1.765 10 10 DDCE COC(=O)[C@@H]1C[C@@H]1[C@@H](C)NCc1ccc(N2CCOCC2)cc1 850071055 ZVMQHIRGXYLNMW-KBRIMQKVSA-N 318.417 1.810 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC[C@]2(CCO)CCOC2)c1 756655496 PVIKNQUAYXNIQH-SJCJKPOMSA-N 323.389 1.619 10 10 DDCE NC1(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 852882368 FEOGQNHWGMWBHV-CQSZACIVSA-N 304.390 1.781 10 10 DDCE COC(=O)COc1ccc(N(C)Cc2ncc(C)cn2)cc1 784563292 DUADXTZFHJFOIN-UHFFFAOYSA-N 301.346 1.973 10 10 DDCE Oc1c(F)cc(Br)cc1CN1CCN[C@@H]2C[C@@H]21 1906861890 SJZXPNWYADKRJA-MNOVXSKESA-N 301.159 1.840 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CN1CCOCC1 1135800466 HADFHTZSDCOMIG-UHFFFAOYSA-N 317.433 1.577 10 10 DDCE COc1ccc(CNS(=O)(=O)c2cc(C)cnc2N)c(O)c1 795357453 PZNMMQHMOQTUCX-UHFFFAOYSA-N 323.374 1.165 10 10 DDCE CC(C)(C)OC(=O)N1CCSC[C@H]1C(=O)NCCN=[N+]=[N-] 1885563497 VMARZODMNFMRAT-VIFPVBQESA-N 315.399 1.765 10 10 DDCE COc1ccc(CNC2(CNC(C)=O)CCOCC2)cc1C 1324983055 GRYPOMZBSOIDED-UHFFFAOYSA-N 306.406 1.779 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(O)c1O 1296246418 MFORHBSOCBNUKM-SECBINFHSA-N 303.314 1.870 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCc1cn2c(n1)CCCC2 1463941001 IGJPHSCOIRQLII-UHFFFAOYSA-N 315.373 1.532 10 10 DDCE Cn1nc(CNC(=O)Cc2ccc(O)c(O)c2)c2ccccc21 1624867828 DTGPGCKJULHRJU-UHFFFAOYSA-N 311.341 1.843 10 10 DDCE COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)Cc1ccc(O)c(O)c1 1567882025 YBALBMYBIYVZNV-PWSUYJOCSA-N 307.346 1.440 10 10 DDCE COc1cc(C(=O)N[C@@H](C)C[C@@H](C)NC(C)=O)cc(OC)n1 1735563582 LNUSDMSOOIUCKM-ZJUUUORDSA-N 309.366 1.132 10 10 DDCE C[C@@H]1SC(=S)N(CCC(=O)NCc2ccccc2)C1=O 11636008 CVMSDHORFREVCL-JTQLQIEISA-N 308.428 1.942 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N1CCN[C@H](c2ccccc2)C1 1866303098 LEILSBVXBBBMQP-ZDUSSCGKSA-N 314.341 1.590 10 10 DDCE CCNC(=O)C1(NCc2cc(Br)ccc2O)CC1 1967772439 WHKYVAGXXBPUOV-UHFFFAOYSA-N 313.195 1.913 10 10 DDCE COc1cc(Br)c(N2CCNCC2)cc1OC 1951801160 OUGDLGSDBGSTLD-UHFFFAOYSA-N 301.184 1.876 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@H](OC(C)C)C3)c2n1 2063104059 WVLFHQWUFWNVMI-LBPRGKRZSA-N 318.377 1.773 10 10 DDCE Nc1ccc(O)c(CN2CC(CS(=O)(=O)C(F)F)C2)c1 2173181825 HDDHPJYLBAWCQL-UHFFFAOYSA-N 306.334 1.044 10 10 DDCE CNCc1ccc(N2CC(NC(N)=O)C2)cc1Br 2044807961 ONTPINLOTHVIEZ-UHFFFAOYSA-N 313.199 1.025 10 10 DDCE CN(Cc1c(O)cccc1Br)[C@H]1CC(=O)NC1=O 2051513210 HHQIREOLIYYQPS-VIFPVBQESA-N 313.151 1.002 10 10 DDCE NCc1ccc(N2C[C@@H]3C(C(N)=O)[C@H]3C2)cc1Br 2081450097 WFDHSTDGGSQCLS-UWVGGRQHSA-N 310.195 1.075 10 10 DDCE COCC1(CNCc2c(O)cccc2Br)COC1 2082966096 SBCSLNGZVKQUJO-UHFFFAOYSA-N 316.195 1.907 10 10 DDCE COc1ccc(Br)c(CNC[C@H]2C[C@H]2CO)c1O 2220462117 HDTLCBYAURRHMJ-BDAKNGLRSA-N 316.195 1.881 10 10 DDCE CC[C@@]1(NCc2c(O)cccc2Br)CCNC1=O 2260432238 ZCGJCFZVZXXOAD-CYBMUJFWSA-N 313.195 1.913 10 10 DDCE CSc1ncc(CNC(=O)[C@@]2(CN)CCCOC2)s1 2269097109 ANEKUVJMQPSACF-GFCCVEGCSA-N 301.437 1.237 10 10 DDCE O=C1C(=CN2CCOCC2)SC(=S)N1C[C@@H]1CCCO1 2297471586 INSVOOJZRACRND-JTQLQIEISA-N 314.432 1.199 10 10 DDCE COCCN1CCN(C(=O)C=Cc2ccc(O)c(O)c2)C[C@H]1C 2308001470 MAGNPEWMXNWUDB-CYBMUJFWSA-N 320.389 1.290 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(C)c(CC(=O)O)s1 2339733414 WKFYNJDJFUKRFZ-UHFFFAOYSA-N 307.397 1.077 10 10 DDCE CC(=O)N(C(=O)C(=O)N1[C@H](C)CCC[C@H]1C)c1ccc(N)cc1 170318631 HLJDALVQMKKPNI-VXGBXAGGSA-N 317.389 1.938 10 10 DDCE CCn1cc(S(=O)(=O)N(C)Cc2ccc(N)cc2)nc1C 50265317 QXEUNISFSGGFBU-UHFFFAOYSA-N 308.407 1.614 10 10 DDCE C[C@H]1CN(C(=O)c2ccccc2SCC(N)=O)CCS1 171576565 JTBRSKMIKZCNCC-JTQLQIEISA-N 310.444 1.842 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c(Cl)c1 2361609960 TXYAVKLHOAFQEH-PUYPPJJSSA-N 314.838 1.854 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCCC[C@]2(C)C(N)=O)c1O 185936329 GZKTUFIMSQTLAR-MRXNPFEDSA-N 308.353 1.964 10 10 DDCE CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[C@H]2O)cc1F 73915761 ARJVQTGSGDYHSZ-SWLSCSKDSA-N 309.385 1.852 10 10 DDCE Cc1nc(CN2CCCN(Cc3ccccc3O)CC2)no1 127949715 NCQATQGLGWDJEI-UHFFFAOYSA-N 302.378 1.792 10 10 DDCE NCc1ccc(N2CCC[C@H]2C(N)=O)c(F)c1Br 231838861 VWCADDRULKYWCU-VIFPVBQESA-N 316.174 1.501 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@H](CC(N)=O)C2)cc1F 367470140 QMNFGIGPDAJNRI-GFCCVEGCSA-N 322.384 1.299 10 10 DDCE CCOc1ccc(O)c(CNCc2cnn(CCOC)c2)c1 800286724 AOCWSZBPSNSVRO-UHFFFAOYSA-N 305.378 1.924 10 10 DDCE O=C(NCc1cc(Br)ccc1O)c1ccc(O)nn1 804737037 BCKPVGJMIGSUFB-UHFFFAOYSA-N 324.134 1.580 10 10 DDCE COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3C[C@H]3C)CC2)cc1 819298233 DVWMFELOYAUWMW-QGPMSJSTSA-N 319.449 1.176 10 10 DDCE C[C@H]1CN(CCO)CCN1Cc1cc(Cl)cc(F)c1O 825337596 HEJRMGJTYNCMJR-JTQLQIEISA-N 302.777 1.683 10 10 DDCE CCN(OC)C(=O)CNCc1ccc(N2CCOCC2)cc1 842767864 LSDRWGZEBTTYFY-UHFFFAOYSA-N 307.394 1.023 10 10 DDCE CC(=O)C(=O)COC(=O)CCc1ccc2c(c1)OC(F)(F)O2 848805067 UNCUJFZEFHXBOI-UHFFFAOYSA-N 314.240 1.642 10 10 DDCE CN(CC1CC1)C(=O)COC(=O)/C=C\c1ccc(O)c(O)c1 759595409 RFKXNMIKNBEQIW-ALCCZGGFSA-N 305.330 1.523 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCN(C)[C@@H](CO)C2)c1O 931408684 VTKPFPGMCCLUHO-CYBMUJFWSA-N 312.797 1.357 10 10 DDCE COC(=O)c1c(CNC/C=C\CO)c2cc(F)ccc2n1C 895248918 VUWBANYXPJKISW-ARJAWSKDSA-N 306.337 1.742 10 10 DDCE CC(=O)C(=O)[C@@]1(O)C[C@H]2CC[C@@H]([C@H]1C)N2C(=O)OC(C)(C)C 1919108374 YRYVQSVRPPWXNH-JGLBJEFFSA-N 311.378 1.684 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 1530833449 KZFLMDKWWNGNIP-OLZOCXBDSA-N 303.406 1.579 10 10 DDCE C[C@@H]1CC(=O)N[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 1614951693 FPHYVGNEXTVDSX-WCQYABFASA-N 317.389 1.393 10 10 DDCE CO[C@H](C)CN[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1480600743 FFBDKSPVLIGNCZ-GHMZBOCLSA-N 321.381 1.592 10 10 DDCE CCn1cc(CNC(=O)c2ccc(N=NC(N)=O)cc2)nn1 1640094059 DDXKHAFATRGLOU-UHFFFAOYSA-N 301.310 1.390 10 10 DDCE CCC(=O)NC[C@@H]1CCN1C(=O)c1ccc(N=NC(N)=O)cc1 1738637634 UWUIHGMLQTYIQW-LBPRGKRZSA-N 317.349 1.590 10 10 DDCE O=C(NCCN(Cc1ccccc1O)C[C@H]1CCCO1)C1CC1 1652842795 WSISIBPWASMTGG-MRXNPFEDSA-N 318.417 1.899 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CC[C@@H]3[C@H](C2)C3(F)F)cc1 1653830015 FXKHOMVALQEULC-CABCVRRESA-N 323.387 1.956 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC3CSC3)C2)cc1 1674326145 HKIBDXCLPBHHAE-NSHDSACASA-N 307.419 1.689 10 10 DDCE CCN[C@@H](C)c1ccc2c(c1)CCCN2CCS(N)(=O)=O 162264565 UEDFSCYZMWZNRI-LBPRGKRZSA-N 311.451 1.398 10 10 DDCE CCNC(=O)CN(C)c1ccc(CNC)c(C(F)(F)F)c1 167371132 QHMCSYQGQXFXOJ-UHFFFAOYSA-N 303.328 1.997 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2nc(C)c(C)[nH]c2=O)c1 152373834 DGAQDBMRGVIEKN-JTQLQIEISA-N 317.345 1.592 10 10 DDCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)[C@H]1CCCCS1 156215198 KDOBRQXAOGTWNJ-CYBMUJFWSA-N 307.419 1.368 10 10 DDCE Cc1c(OCc2ccc(N)cc2)c(=O)ccn1CCN(C)C 1857909733 JLHAHDAVOZQRFR-UHFFFAOYSA-N 301.390 1.880 10 10 DDCE CN(c1ccc(CN)cc1)[C@@H](CNC(=O)OC(C)(C)C)C(=O)O 1992729662 GULCKHISZJLZME-ZDUSSCGKSA-N 323.393 1.559 10 10 DDCE CCNCc1ccc(N2CCS(=O)(=O)CC2)c(Cl)c1 163976307 VHIIAUBBDGGSNA-UHFFFAOYSA-N 302.827 1.684 10 10 DDCE CN(C[C@H]1COCCO1)c1ccc(CN)cc1Br 2027154490 CPKANUOPBWRLSC-NSHDSACASA-N 315.211 1.759 10 10 DDCE O=[N+]([O-])c1cc2c(cc1N1CCC3(CC1)OCCO3)OCCO2 391349110 CXLUATRUEFGKRC-UHFFFAOYSA-N 322.317 1.709 10 10 DDCE CSc1ncc(CN2CCC(=O)N[C@H](C3CC3)C2=O)s1 2284666825 QOCIYHIPFJLEEL-LLVKDONJSA-N 311.432 1.492 10 10 DDCE CN(CC1CC(S(C)(=O)=O)C1)c1ccc(CO)cc1F 2285291811 DFGZHCBPRPXFJH-UHFFFAOYSA-N 301.383 1.577 10 10 DDCE Cc1ccc(CNC[C@@H]2CNC(=O)C2)c(O)c1Br 2327625067 YBWQWYXBYLYTLW-SECBINFHSA-N 313.195 1.689 10 10 DDCE NCc1cc(F)c(N2[C@H]3CC[C@@H]2C[C@H](O)[C@@H]3O)cc1Cl 2357055331 UORPBWDJMNECOD-SCLYENHESA-N 300.761 1.401 10 10 DDCE CCOC(=O)c1nn(C)cc1CN(C)c1ccc2c(c1)OCO2 186410750 GKFWCRMWFSLHJS-UHFFFAOYSA-N 317.345 1.962 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4CC[C@H](O)[C@H]4C3)c(Cl)cc21 252867709 NBHIEUFPIDGVPH-JFWTWPFFSA-N 307.781 1.499 10 10 DDCE COc1cc(O)c(CN2CCn3nc(C)nc3C2)cc1OC 271770721 GCOVTQQURWWTIA-UHFFFAOYSA-N 304.350 1.325 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2 808499080 JBKUXTQKAQFIDG-HNNXBMFYSA-N 319.338 1.317 10 10 DDCE COc1cccc(CNC(=O)c2cc3c(cn2)OCCO3)c1O 819399104 QXGHXSMCDHUPPZ-UHFFFAOYSA-N 316.313 1.497 10 10 DDCE Cc1nn(C)c(C)c1CCCNC(=O)c1c(F)ccc(O)c1O 827812860 CFTVVBNMFXSUJN-UHFFFAOYSA-N 321.352 1.950 10 10 DDCE CCN(CCC(N)=O)C(=O)NCc1ccc(N2CC=CC2)cc1 919917394 FADVRUBYPIXUKS-UHFFFAOYSA-N 316.405 1.470 10 10 DDCE C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)NC(N)=O 847323410 GPFIEFRZXKDZAV-LBPRGKRZSA-N 318.421 1.691 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CC[C@@H]2CNC[C@@H]2CC1 843127499 RTSZIKKBXRTRTG-HDICACEKSA-N 315.461 1.955 10 10 DDCE O=C(NCC1(C2(O)CCOCC2)CC1)c1cccc(O)c1O 928674858 DXAMVCOKHSVXBA-UHFFFAOYSA-N 307.346 1.149 10 10 DDCE C[C@@H](NC(=O)NC[C@H]1COCCN1C)c1ccc(N(C)C)cc1 858368947 PVKQZXWPKFDMLB-CJNGLKHVSA-N 320.437 1.443 10 10 DDCE Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)c(O)c1O 751529816 GMUDPPBKLIQVIP-LLVKDONJSA-N 315.325 1.976 10 10 DDCE COc1cc(N2CCN(C(=O)c3cc(O)cs3)CC2)ncn1 764480742 LOXRAYYZLSAQSF-UHFFFAOYSA-N 320.374 1.215 10 10 DDCE CCOC(=O)c1cc(C(=O)NCc2cc(C)ccc2O)on1 862754768 JJHMFEQLJQTVTL-UHFFFAOYSA-N 304.302 1.795 10 10 DDCE CCO[C@H](C(=O)NCCc1ccc(O)c(O)c1)C1CCOCC1 866755029 FKLXGWVFSSBPDH-INIZCTEOSA-N 323.389 1.588 10 10 DDCE CCC(C)(C)NC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1 772776298 PTFIDTHAACLSTC-VURMDHGXSA-N 307.346 1.959 10 10 DDCE COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(F)cc(F)c1O 895867610 WYRGGSSTGMRURB-AAEUAGOBSA-N 315.316 1.871 10 10 DDCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)NCc1ccco1 1136514054 SWZIZZDJPDBIEH-JTQLQIEISA-N 318.329 1.054 10 10 DDCE CCO[C@@H](C(=O)NCc1c(O)cccc1O)C1CCOCC1 1156885547 JDZHQKMALWHSFD-OAHLLOKOSA-N 309.362 1.546 10 10 DDCE Cn1ncc(C(=O)NCc2cc(O)ccc2O)c1-n1cccc1 1176748285 NBMUTSPFMQYYAM-UHFFFAOYSA-N 312.329 1.552 10 10 DDCE Cn1cnc(-c2ccc(C(=O)NCc3c(O)cccc3O)cc2)n1 1456310566 CPMKGHKNEONVHW-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE O=C(NCc1c(O)cccc1O)C1CCN(CC(F)F)CC1 1472063401 JIOKDDHIXVVVFT-UHFFFAOYSA-N 314.332 1.691 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCOC(=O)N1 1624630577 VWUCTKIOUCWVGD-HNNXBMFYSA-N 317.389 1.744 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cc2c(nc1O)CCOC2 1635851216 ZTWSPRDPNKVPSL-UHFFFAOYSA-N 316.313 1.201 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@H]([C@@H]2CCCO2)C1 1630474430 SZJWRMDFFJVIEA-LSDHHAIUSA-N 307.346 1.047 10 10 DDCE O=C(CN1CSCCSC1)NCc1c(O)cccc1O 1647289431 DCBOCERKTZPVOK-UHFFFAOYSA-N 314.432 1.411 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2CCN(C)C2)cc1C 1732982060 BFPOIMYMQRGIJJ-GDBMZVCRSA-N 319.449 1.550 10 10 DDCE COCCn1cc(NC(=O)c2c(F)ccc(O)c2O)ccc1=O 1654263850 NPHXMXZYQVNNGX-UHFFFAOYSA-N 322.292 1.297 10 10 DDCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](C)CCO 154253451 PZXZETGTYLEHHT-LLVKDONJSA-N 301.346 1.999 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4COC[C@H]43)c(Br)cc21 2129807454 FEQPRANZBHSDAI-KKIHLJRUSA-N 324.178 1.236 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CCN(CCCN=[N+]=[N-])C[C@H]1CO 1894071456 XWBOYMWORUYHQT-NWDGAFQWSA-N 313.402 1.894 10 10 DDCE CNC(=O)[C@H](C)N(C)c1ccc(CO)cc1Br 1916212358 PEFPJDUXVFQBIU-QMMMGPOBSA-N 301.184 1.512 10 10 DDCE C[C@H](c1ccc(F)cc1O)N1CC[C@H](CS(C)(=O)=O)C1 2143699902 IDGXJQIOCCADCG-MNOVXSKESA-N 301.383 1.959 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1982384641 IQEQOBYKZIEASR-VLJOUNFMSA-N 324.421 1.801 10 10 DDCE NCc1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)c(F)c1F 2151270888 ABNQALUBUNSENK-MWLCHTKSSA-N 302.346 1.047 10 10 DDCE CS(=O)(=O)C1CN(c2ccc(C=CC(=O)O)cc2Cl)C1 2152285161 BNXVBKOKHKHXTM-UHFFFAOYSA-N 315.778 1.671 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@@H]2CS(=O)(=O)C2(C)C)c(F)c1 2153846829 XCVNZUSNEZTRNZ-TVQRCGJNSA-N 300.399 1.857 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1O 2170657782 RYTIPXQJWQCIHF-OUAUKWLOSA-N 301.408 1.703 10 10 DDCE CC1(C)C[C@H](O)[C@@H](O)CN1c1cc(Cl)c(CN)cc1F 2188629529 AYKVANINMPXHSE-STQMWFEESA-N 302.777 1.648 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)[C@]12CCC[C@@H]1CS(=O)(=O)C2 2201863128 PYAWJBHFSGPCJA-PWSUYJOCSA-N 300.384 1.360 10 10 DDCE CSc1ncc(CNC(=O)[C@@]2(C)C[C@@H](N)CCO2)s1 2269095402 XJNMECQDVKRWGI-QPUJVOFHSA-N 301.437 1.378 10 10 DDCE COc1ccc(CNCCS(=O)(=O)C(F)(F)F)c(O)c1 2232494619 GXDQSGBQZGUMNT-UHFFFAOYSA-N 313.297 1.425 10 10 DDCE CCOC(=O)CCS(=O)(=O)NCc1cnc(SC)s1 2269123670 KZQDWZWLUHRLRT-UHFFFAOYSA-N 324.449 1.238 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NCC(=O)N1CCCCC1 2308000700 MMBILWMOWCYYJI-UHFFFAOYSA-N 304.346 1.240 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N[C@H](CO)Cc1ccccc1 2308006181 ZEDIKGIJHWRQTP-HNNXBMFYSA-N 313.353 1.831 10 10 DDCE Cc1ccc(CN[C@]2(CO)C[C@H](O)C2)c(O)c1Br 2327613153 SATLOQCFDGMNQQ-GSJFWJNXSA-N 316.195 1.439 10 10 DDCE CN(NCc1cccc(Cl)c1O)S(=O)(=O)C1CCC1 2339722544 JHIYXEPHJNGCJL-UHFFFAOYSA-N 304.799 1.864 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)cc1 172652990 VJOFEDZJKKEJCH-KGLIPLIRSA-N 318.421 1.596 10 10 DDCE C[C@@H]1SCCN(S(=O)(=O)Cc2ccc(N)cc2)[C@H]1C 132028189 VNVZNRWNHOCCSM-QWRGUYRKSA-N 300.449 1.924 10 10 DDCE CO[C@H](CCS(C)(=O)=O)CNCc1cc(F)ccc1O 2364091515 FPCOKXWCLOEATH-GFCCVEGCSA-N 305.371 1.071 10 10 DDCE CC(C)[C@H](O)C(C)(C)NS(=O)(=O)Cc1ccc(N)cc1 2365914968 AFLWWLNIBQBYKT-ZDUSSCGKSA-N 300.424 1.484 10 10 DDCE COc1ccc(O)c(CNC(=O)[C@@H]2CCCc3[nH]ncc32)c1 136873733 QYXMZIYOLIVGHN-GFCCVEGCSA-N 301.346 1.860 10 10 DDCE CCCCN(CC(N)=O)c1ccc(CN)c(Br)c1 228150670 RRJIPSIAIWSHHQ-UHFFFAOYSA-N 314.227 2.000 10 10 DDCE COc1cc(Cl)c(N2CC[C@@](C)(O)[C@H](O)C2)c(OC)c1 2368096842 URHKRLMYNMOYGV-TZMCWYRMSA-N 301.770 1.679 10 10 DDCE Cc1nc(C[C@@H]2CCCN(C(=O)c3cccc(O)c3O)C2)no1 193018796 JYVRTTPAHIVZSJ-NSHDSACASA-N 317.345 1.884 10 10 DDCE CCn1nccc1/C=C\C(=O)NCc1cccc(OC)c1O 255365443 QZOFUFLYZAVZRH-FPLPWBNLSA-N 301.346 1.947 10 10 DDCE COCc1nc([C@H]2COCCN2Cc2cccc(C)c2O)no1 374801610 OEBPYWBWNXFOJC-CYBMUJFWSA-N 319.361 1.804 10 10 DDCE COC(=O)/C=C\c1ccc(N2C[C@H]3COC[C@H]3C2)c([N+](=O)[O-])c1 804687745 BTACCTPFGOHNCS-VFWWJLHSSA-N 318.329 1.864 10 10 DDCE CC(=O)C(=O)COC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 808496589 WUAQXHYJDKPMQD-UHFFFAOYSA-N 305.330 1.793 10 10 DDCE COc1cc(O)c(CN[C@@H]2C[C@@H](C)n3ncnc32)cc1OC 826889011 PCMUCIWYYFNQJY-MWLCHTKSSA-N 304.350 1.797 10 10 DDCE Cn1cc(CNC(=O)Cc2ccc(N)cc2)c(C(F)(F)F)n1 831431940 UULRGFICRYXWNI-UHFFFAOYSA-N 312.295 1.880 10 10 DDCE C/C(=C\C(=O)N1Cc2cccc(O)c2C1)CN1CCOCC1 913726133 IQMKAFSXQAFTIH-UKTHLTGXSA-N 302.374 1.513 10 10 DDCE CCOc1cccc(CNC[C@H]2CN(C3CC3)C(=O)O2)c1O 848578209 OINYUASZNCAACN-ZDUSSCGKSA-N 306.362 1.864 10 10 DDCE CN(C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)c1cn[nH]c1 859781902 JEVQWCXIVGAUPQ-NSHDSACASA-N 306.366 1.986 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCOCCCN 861689798 GZPJMZDPFQHEBX-UHFFFAOYSA-N 322.453 1.650 10 10 DDCE O=C(C1CCN(c2cnccn2)CC1)N1Cc2cccc(O)c2C1 871198965 QDQRKVITIGVACF-UHFFFAOYSA-N 324.384 1.941 10 10 DDCE CCN(OC)C(=O)CNC(=O)NCc1ccc(N(C)C)cc1C 1118124285 AUVKYWMUOYZFEE-UHFFFAOYSA-N 322.409 1.270 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)NC[C@@]23CCC[C@@H]2C3)cc1 1119668411 UGAZMLUQVRWJSY-KDOFPFPSSA-N 315.417 1.675 10 10 DDCE C[C@@H]1C(=O)N(C)CN1Cc1cc(Br)cc(F)c1O 895085759 YDOCDJFEDNPWKF-SSDOTTSWSA-N 317.158 1.914 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCN2CC[C@H]1C2 897875888 JPIDDAXODXNJMO-JTQLQIEISA-N 304.371 1.843 10 10 DDCE CC[C@H](O)Cn1cc(C(=O)NCc2cc(Cl)ccc2O)nn1 1146230965 AYNDRVOZVQWGMH-NSHDSACASA-N 324.768 1.338 10 10 DDCE C[C@H](NCc1cc(Cl)ccc1O)[C@@H]1CCS(=O)(=O)C1 895156259 UECOCRIZDXIMHO-VHSXEESVSA-N 303.811 1.958 10 10 DDCE CCOC[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCO1 1302214722 FURCZQZEKFKBHZ-CYBMUJFWSA-N 320.349 1.727 10 10 DDCE COc1cccc(CNC(=O)Cn2ncc3cccnc32)c1O 1150543530 OZWLBIUYESNATC-UHFFFAOYSA-N 312.329 1.462 10 10 DDCE COc1ccc(-c2nn(Cc3ccc(N)cc3)c(=O)[nH]c2=O)cc1 82720956 ZCGJEMMLIWOWDW-UHFFFAOYSA-N 324.340 1.238 10 10 DDCE CC(C)(C)OCCCNS(=O)(=O)Cc1ccc(N)cc1 695262746 MKJYITDOZMCNEX-UHFFFAOYSA-N 300.424 1.893 10 10 DDCE COC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1F 1466063470 LMKFAEZPPKEGRM-CYBMUJFWSA-N 319.288 1.881 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@@H](O)C23CCC3)cc1 1557499666 DCXIZCVLPFCWFH-NWDGAFQWSA-N 302.334 1.882 10 10 DDCE COCC[C@H](COC)NC(=O)c1ccc(N=NC(N)=O)cc1 1629157398 UWYXIDMFKLWHFL-GFCCVEGCSA-N 308.338 1.630 10 10 DDCE COc1cccn2ncc(C(=O)NCc3ccc(O)c(O)c3)c12 1566359589 HJWLSMNTFZVELG-UHFFFAOYSA-N 313.313 1.684 10 10 DDCE COc1cc(O)ncc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 1567467686 OTOBIWSGQDFJIH-SECBINFHSA-N 318.329 1.568 10 10 DDCE CC(C)[C@H](NC(N)=O)C(=O)N1CCOc2cc(N(C)C)ccc21 1566007698 HLVBZDRSRDZWQG-AWEZNQCLSA-N 320.393 1.171 10 10 DDCE CCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1735561220 CGFQOUOVZCEGSK-QWRGUYRKSA-N 323.393 1.522 10 10 DDCE CCO[C@@H]1C[C@@H]1C(=O)N(C)CCNCc1ccc(OC)c(C)c1 1691267868 SECOJIPANIDMEF-DOTOQJQBSA-N 320.433 1.977 10 10 DDCE CN1NC(=O)[C@H](CC(=O)Nc2ccc(C(C)(C)C)cc2)C1=O 169996044 OGFXCNUWFSWYAS-LBPRGKRZSA-N 303.362 1.432 10 10 DDCE CO[C@H]1c2ccc(O)cc2OC[C@@]1(O)Cc1ccc(O)c(O)c1 13341371 HHDPKXQKOWHDNA-IRXDYDNUSA-N 318.325 1.857 10 10 DDCE biogenic COc1cc(Cl)cc(CN(CC(=O)O)CC(=O)O)c1O 229118591 GPHDQJULOPMRGI-UHFFFAOYSA-N 303.698 1.025 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@@H](O)c2ccsc2)cc1 231976770 JYRCNUQXWYNQPJ-CYBMUJFWSA-N 312.416 1.483 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](N)C[C@@H]1c1ccc(O)c(O)c1O 1952528257 PZPXJXHPNHKBDH-WCBMZHEXSA-N 310.350 1.813 10 10 DDCE Oc1c(Br)cccc1CNC[C@@]1(O)CCCOC1 1971057458 XSVRISZLOXRNPA-ZDUSSCGKSA-N 316.195 1.786 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1cnc(Cl)nc1 38109199 ZMTMTFXASRZACA-UHFFFAOYSA-N 313.766 1.656 10 10 DDCE CO[C@H]1CN(C)C[C@H]1NCc1cccc(Br)c1O 2034334072 KNLUOXGANDPFDB-NEPJUHHUSA-N 315.211 1.573 10 10 DDCE COc1cccc(CN=c2[nH]n(C)cc2Br)c1O 2038253590 SCFRSIXWSIJQOZ-UHFFFAOYSA-N 312.167 1.931 10 10 DDCE COc1ccc(CN=c2[nH]n(C)cc2Br)c(O)c1 2038253503 RBCFHOADHZERQM-UHFFFAOYSA-N 312.167 1.931 10 10 DDCE CCS(=O)(=O)[C@H]1CCN(c2ccc([C@H](C)O)cc2F)C1 2179898248 FLQXWDSYLYDCQN-JQWIXIFHSA-N 301.383 1.892 10 10 DDCE C[C@@H](c1ccccc1O)N(C)C(=O)N[C@@H](C)S(C)(=O)=O 2203036367 SXUHLRHURGCTOH-VHSXEESVSA-N 300.380 1.485 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@H](C(N)=S)C2)s1 2269285547 RNOAIILFZWIJGP-ZETCQYMHSA-N 316.477 1.683 10 10 DDCE C[C@@H](O)c1ccc(N2CC(O)(C(F)(F)CO)C2)c(Cl)c1 2288526709 DULSCAZUGHVWEO-MRVPVSSYSA-N 307.724 1.572 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)c1cc(Br)n(C)n1 2300526008 MXGIWQPBQCYPMF-UHFFFAOYSA-N 301.148 1.955 10 10 DDCE Cc1ccc(CN2CC(=O)N[C@@H](C)C2)c(O)c1Br 2327602343 HLHAQJZHVAKVNJ-VIFPVBQESA-N 313.195 1.783 10 10 DDCE Cc1ccc(CN2CCNC[C@H](O)C2)c(O)c1Br 2327630340 JOFCVHJARYLYCC-NSHDSACASA-N 315.211 1.229 10 10 DDCE Cc1ccc(CNC(=O)C2CC(N)C2)c(O)c1Br 2327801510 SHXTWIBSUCEEJC-UHFFFAOYSA-N 313.195 1.817 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 301960046 PYFCZBNXPZEDGT-RAPKHVKHSA-N 320.345 1.988 10 10 DDCE COc1ccc(O)c(CN(C)CC2CCN(C[C@H](C)O)CC2)c1 180094141 JKVDQUKDLRLOFE-AWEZNQCLSA-N 322.449 1.925 10 10 DDCE CCCCN1CCOC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 184192605 KDTTUKRGMAUUKG-KRWDZBQOSA-N 319.449 1.870 10 10 DDCE C[C@@H]1CCCCN1S(=O)(=O)Nc1ccc(O)cc1C(=O)O 48847221 HZGLXSHZYOSNSF-SECBINFHSA-N 314.363 1.622 10 10 DDCE Cc1nc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cs1 87427543 WREFMTUCIASOCF-UHFFFAOYSA-N 302.403 1.996 10 10 DDCE COC[C@@](C)(O)CCN[C@H](C)c1cc(C(=O)OC)ccc1O 834843030 GBVPZLNUNCHTDH-BZNIZROVSA-N 311.378 1.617 10 10 DDCE COC1CCN(c2ccc(CN3CCOC[C@@H](O)C3)cc2)CC1 830638341 BHNMXTXJVKDBKB-KRWDZBQOSA-N 320.433 1.495 10 10 DDCE C/C=C/[C@@H](O)C(=O)NCc1cccc(Br)c1O 907758740 SZSPJKBWRLGWHN-XCRNYIDWSA-N 300.152 1.708 10 10 DDCE CCCCN(Cc1cc(O)n2ncc(C(=O)O)c2n1)C1CC1 846238302 MHRSFSJFOPNLGZ-UHFFFAOYSA-N 304.350 1.898 10 10 DDCE CSCC(=O)NCc1cc(NC(=O)CSC)ccc1O 923130168 MCXGLULGWZAGSY-UHFFFAOYSA-N 314.432 1.673 10 10 DDCE CN(C)C(=O)N(C)[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 853583685 VNLOPRJXSPBFAH-GFCCVEGCSA-N 321.377 1.309 10 10 DDCE CC1=NO[C@H](C(=O)NCc2cc(Br)ccc2O)C1 854442215 KSPFPQBHQZFXBO-NSHDSACASA-N 313.151 1.936 10 10 DDCE O=C(O)C1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 857097939 YUUIFIRPYUFHGB-UHFFFAOYSA-N 301.346 1.289 10 10 DDCE O=C(CS(=O)(=O)C1CC1)NCc1ccc2cccnc2c1O 862026551 SFBYMIBJYPGHSE-UHFFFAOYSA-N 320.370 1.134 10 10 DDCE C[C@@H](O)[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCO1 862393947 AEEXTRFHOLMMPT-BMIGLBTASA-N 300.349 1.612 10 10 DDCE O=C(O)c1ccc2c(c1)[C@H](CN1C(=O)CSC1=S)CO2 958718006 CJPAXSMCFCMTAB-MRVPVSSYSA-N 309.368 1.721 10 10 DDCE O=C(/C=C\c1ccncn1)OCC(=O)c1ccc(O)c(O)c1 784686353 HBQCOHCXZLJILR-RQOWECAXSA-N 300.270 1.327 10 10 DDCE COc1cc(NS(=O)(=O)N2CCC[C@H](C)C2)ccc1O 797820125 HQHCZWGZYRQWPX-JTQLQIEISA-N 300.380 1.789 10 10 DDCE Cc1ccc(CN(CCO)C(=O)c2ccc(C)c(O)c2O)o1 794317776 RFFIMCXHLVPEEK-UHFFFAOYSA-N 305.330 1.942 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCCCN=[N+]=[N-] 1885562557 HNDPJGCPWNRUJP-IUCAKERBSA-N 301.347 1.077 10 10 DDCE CCO[C@H](CS(=O)(=O)NCc1cc(C)ccc1O)C1CC1 1329238132 FPAMXKQOSAIZDI-OAHLLOKOSA-N 313.419 1.935 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cccc2c1CCNC2=O 1451411287 NAVZNBLGZNRLHP-UHFFFAOYSA-N 312.325 1.565 10 10 DDCE CCCC[C@@H](CNCc1ccc(OC)c(C)c1)NC(=O)C(N)=O 1700520732 PIIQELHIEIMLJB-AWEZNQCLSA-N 321.421 1.254 10 10 DDCE COc1cc(CNCCCN2CCOCC2)ccc1N(C)C 212687879 GBVKAZYXTUAXEI-UHFFFAOYSA-N 307.438 1.573 10 10 DDCE O=C1C[C@H](C(=O)NCc2c(O)cccc2O)[C@@H]2CCCC[C@H]2N1 1558535056 DEUYZGNENIDHHE-GMXVVIOVSA-N 318.373 1.409 10 10 DDCE CNC(=O)c1cccc(CNC(=O)c2c(F)ccc(O)c2O)c1 1638232818 VEKVSXPJEUKSRF-UHFFFAOYSA-N 318.304 1.527 10 10 DDCE CC1(C)[C@@H](O)[C@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)[C@H]21 1632004955 OGLWOBOVRGLWTQ-XZJROXQQSA-N 305.374 1.648 10 10 DDCE CC1(C)C[C@H](S(=O)(=O)Nc2ccc(O)c(Cl)c2)CN1 2127967289 NTLYWMOYXCUQBA-VIFPVBQESA-N 304.799 1.928 10 10 DDCE Nc1ccc(CCNc2nc[nH]c(=O)c2Br)cc1 164283905 WRJKEMHLENGUCL-UHFFFAOYSA-N 309.167 1.769 10 10 DDCE Cc1cc(C(=O)N2CCOc3ccc(N(C)C)cc3C2)n(C)n1 825285723 HGRJGNANKYYRNO-UHFFFAOYSA-N 314.389 1.829 10 10 DDCE CCOc1cccc(CNCC(=O)N(CC)CCC(=O)O)c1O 1857867205 YYUBAYAKHIPWPU-UHFFFAOYSA-N 324.377 1.204 10 10 DDCE CN1CC[C@H](CNCc2ccc(Br)cc2O)C1=O 1967742155 DOLFIUHYFBTHTA-SNVBAGLBSA-N 313.195 1.723 10 10 DDCE CN1CC[C@@H](N)[C@@H]1c1cc(I)ccc1O 1952218613 JDVXPIOZUBZOID-KOLCDFICSA-N 318.158 1.701 10 10 DDCE CNCc1ccc(N2C[C@H](O)C[C@H]2CO)c(Br)c1 704725978 DASYLOYKLFDTGW-WDEREUQCSA-N 315.211 1.100 10 10 DDCE CS(=O)(=O)COc1ccc(N2CCC(N)CC2)c(F)c1 2163678869 MBXMPVNHOHJWML-UHFFFAOYSA-N 302.371 1.134 10 10 DDCE CCN(c1ccc(N)cc1)S(=O)(=O)C(COC)COC 711219226 NLVFUNUFOMHGOC-UHFFFAOYSA-N 302.396 1.086 10 10 DDCE C[C@H](N)c1ccc(N2CC(CC(N)=O)C2)c(Br)c1 723173585 LGKFDROXXKSMDI-QMMMGPOBSA-N 312.211 1.780 10 10 DDCE CN(C)C1[C@@H]2CN(c3ccc(CN)cc3Br)C[C@@H]12 395020747 MUOVNTLKLGXXNV-GHMZBOCLSA-N 310.239 1.904 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@]3(O)CCCC3(C)C)c2n1 2063550727 CMUCIJWIHXWQTH-MRXNPFEDSA-N 318.377 1.414 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](O)C[C@H](O)C2)cc1Br 2043133713 WUPXFYQXGNHGDP-LSJOCFKGSA-N 315.211 1.401 10 10 DDCE O=C(NCC1(Br)CCC1)c1cc(O)c(O)c(O)c1 2068621142 MKZRNMODOJZHTR-UHFFFAOYSA-N 316.151 1.851 10 10 DDCE Cc1nc(CNCc2c(O)cccc2Br)nn1C 2070659715 OFFRZNUSNZPCHS-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@](C)(CCOc2nnc(=N)[nH]n2)C1 2210644877 DNUHRQVZYHFHQS-AWEZNQCLSA-N 324.385 1.095 10 10 DDCE COCC[C@@]1(C(=O)NCc2cnc(SC)s2)CCNC1 2284493710 DUGHAOJDJNVUHX-ZDUSSCGKSA-N 315.464 1.497 10 10 DDCE COc1cc(OC)c(N2C[C@H](O)[C@H](O)C2(C)C)cc1Cl 2285918527 AHQYZBODRBAHIQ-GWCFXTLKSA-N 301.770 1.678 10 10 DDCE NC(=O)c1cccc2c1CCCN2C(=O)/C=C/c1cnccn1 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CCCS(=O)(=O)NC1CN(c2ccc(CN)c(Cl)c2)C1 2165630187 GSRKSRXCWPGHKM-UHFFFAOYSA-N 317.842 1.317 10 10 DDCE Cn1nccc1[C@@H]1CCCN1Cc1cc2c(cc1O)OC[C@@H]2O 905735819 OTHUFVKBPNNEJU-HOCLYGCPSA-N 315.373 1.889 10 10 DDCE COc1cccc(CNC[C@H](C)N2C[C@H](C)O[C@H](C)C2)c1O 848561754 BNNKHBOWWVKDKE-MELADBBJSA-N 308.422 1.988 10 10 DDCE CN(C)c1ccc([C@@H](N)CNC(=O)c2cn3c(n2)CCC3)cc1 843299211 UHKYYVPDBMVGIZ-AWEZNQCLSA-N 313.405 1.325 10 10 DDCE Cc1cc(O)c(CN2CCN(c3nncn3C)CC2)cc1C 848497248 KDDFICREFFTOIU-UHFFFAOYSA-N 301.394 1.460 10 10 DDCE C[C@]1([C@H]2CCCN(C(=O)c3cc(O)cs3)C2)COC(=O)N1 928023175 YSEQRYKUUXRESP-LKFCYVNXSA-N 310.375 1.804 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCCn2nncc2C1 923799962 WMGROUAQHMXNHP-HYXAFXHYSA-N 300.318 1.135 10 10 DDCE CC[C@@H](NC[C@]1(OCCO)CCOC1)c1ccc(F)cc1O 850509874 UQLWAIWGPPINBY-GDBMZVCRSA-N 313.369 1.740 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H](C)CS(C)(=O)=O)C2)cc1 850489627 WDZGBRVAMYKROX-STQMWFEESA-N 312.435 1.297 10 10 DDCE COc1ccc(N2CC[C@H](NCc3nccnc3OC)C2)cc1 850346930 LJEGVQDLEVJPEM-ZDUSSCGKSA-N 314.389 1.862 10 10 DDCE COC[C@H](NC(=O)N(C)Cc1ccccc1O)C1CCOCC1 854321916 XTOFVRXFZJIHFA-HNNXBMFYSA-N 322.405 1.975 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 861777155 QHVBWJNECMKNPQ-KFWWJZLASA-N 315.417 1.480 10 10 DDCE Cc1ccc(C(=O)N2CCN(C)c3ncccc3C2)c(O)c1O 872308976 OTGFAYJJLPRDOB-UHFFFAOYSA-N 313.357 1.893 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccc(O)cc1 773756648 LTTWGNSYRXXTRD-LLVKDONJSA-N 317.341 1.930 10 10 DDCE Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)nc(C)n1 784695577 OFJVFOSCDVPGAI-UHFFFAOYSA-N 302.286 1.544 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)CN2CCOCC2)c1 783652573 XCYKBMCCELUZPL-CHWSQXEVSA-N 322.405 1.546 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H](C3)O4)c(Br)cc21 1899731626 OWTUNGYWJHHMDQ-KEHGIVTQSA-N 324.178 1.379 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCCN1c1ncccn1 1153884747 HCNIAHRZWBBSHR-ZDUSSCGKSA-N 314.345 1.173 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc(-n2ccnc2)nc1 1304051069 TVBYWLOZKPZSRY-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CN1CCN(c2ccc(CNC[C@@H]3CCC[C@H]3O)cc2F)CC1 1326450658 AUDYUGCWAMKRBW-MAUKXSAKSA-N 321.440 1.828 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cc(F)cc2nn[nH]c12 1178413176 NYNDACVHQYKWTN-UHFFFAOYSA-N 304.256 1.872 10 10 DDCE Oc1cccc(Br)c1CNCCCc1nn[nH]n1 706883713 XBYHYIIHCHENNI-UHFFFAOYSA-N 312.171 1.390 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2CCC(=O)NC2)c1 1465993142 OGFIFGLGZUOWGB-MNOVXSKESA-N 306.362 1.494 10 10 DDCE CC(C)[C@]1(CO)CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1569585468 APCLXXHYQZUPKP-QGZVFWFLSA-N 307.390 1.897 10 10 DDCE COc1ccc(CNC[C@H](NC(=O)C(N)=O)C(C)(C)C)cc1C 1571631711 DOYXMRBWBLBFCT-AWEZNQCLSA-N 321.421 1.109 10 10 DDCE CN1[C@@H](CN2CCCC[C@@H](CN=[N+]=[N-])C2)CCS1(=O)=O 1912194726 MFHQVOOXHRDWDB-NWDGAFQWSA-N 301.416 1.433 10 10 DDCE CO[C@H]1CCn2cc(C(=O)NCc3c(O)cccc3O)nc2C1 1645363079 LZSQDLYKFJSGBX-JTQLQIEISA-N 317.345 1.186 10 10 DDCE CN1C(=O)C(=Cc2c(Cl)nc3ccccn23)C(=O)N(C)C1=O 16406207 HAOOTCFPTMSFNB-UHFFFAOYSA-N 318.720 1.422 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H]3C[C@@H](OC(C)(C)C)C3)c2n1 2063018900 SWXFESWJHCOAGF-PHIMTYICSA-N 318.377 1.819 10 10 DDCE CC[C@@]1(O)CCCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2065054081 OFDCBIRBWMCACY-OAHLLOKOSA-N 304.350 1.120 10 10 DDCE CC(C)(O)[C@H]1CN(c2cc(Cl)c(CN)cc2F)CCO1 2177387679 HRRPNWYSDDNTLR-CYBMUJFWSA-N 302.777 1.914 10 10 DDCE CNCc1ccc(N2CC([C@@H](F)CO)C2)c(Br)c1 2048044080 FYGOSJMUKJANAU-LBPRGKRZSA-N 317.202 1.935 10 10 DDCE CN=c1cc(C(=O)NCc2cnc(SC)s2)cc(C)[nH]1 2284722530 MEXZIEBUEZKYPT-UHFFFAOYSA-N 308.432 1.962 10 10 DDCE NCc1ccc(N2CC3(CCC(=O)NC3)C2)c(Br)c1 2265522372 ZSAYVQKMBLYHFQ-UHFFFAOYSA-N 324.222 1.624 10 10 DDCE CSc1ncc(CNC(=O)[C@@H](N)[C@@H](O)C(C)(C)C)s1 2269097367 CSJLZHWOUILQQS-DTWKUNHWSA-N 303.453 1.216 10 10 DDCE O=C1NC(=S)NC1=Cc1ccc(N2CCOCC2)c(F)c1 2294371429 YZRLVARMZXYQQP-UHFFFAOYSA-N 307.350 1.008 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H]3C[C@H]2[C@H]3C(=O)O)s1 2284544679 RPGCPSJZOOUSSO-YEPSODPASA-N 313.404 1.480 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NCC(=O)NC1CCCCC1 2307986798 CIOXWWQBBBYZOU-UHFFFAOYSA-N 318.373 1.676 10 10 DDCE C[C@H](N)c1ccc(N2CCNC(=O)[C@H]2C)c(Br)c1 104139311 YDHHTBHSTFRLRF-DTWKUNHWSA-N 312.211 1.794 10 10 DDCE CN1C(=O)[C@H](N)c2ccc(N(CCO)Cc3ccccc3)cc21 303394904 YBXUISCFDKMWBH-QGZVFWFLSA-N 311.385 1.662 10 10 DDCE COc1cc(Cl)c(N2C[C@H](O)C[C@@]2(C)CO)c(OC)c1 2368268951 DVWQKTZEPDXQPI-OTYXRUKQSA-N 301.770 1.679 10 10 DDCE CS(=O)(=O)NCc1nc(-c2ccc(O)c(O)c2)cs1 49699522 QHNSVEUXVJDCKV-UHFFFAOYSA-N 300.361 1.271 10 10 DDCE COC[C@H](N)[C@@H](N)c1ccc(OCc2ccccc2)cc1O 95844132 LBXJZZWFKAIPCG-RDJZCZTQSA-N 302.374 1.945 10 10 DDCE O=C([C@H]1CCCO1)N1CCN(c2ccc3c(c2)OCO3)CC1 242422424 BJLNYIDQUAQSBK-CQSZACIVSA-N 304.346 1.243 10 10 DDCE CNC(=O)NC[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1 529644187 VEIWZAXAXJHVLT-SNVBAGLBSA-N 313.785 1.175 10 10 DDCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@H]1CCCOC1 255332560 YEHDVBJHTSGWAN-SBSDFTTDSA-N 316.401 1.832 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCO[C@H](C3CC3)C2)cc1 375331745 LWDVUEDBUSBMOD-KRWDZBQOSA-N 317.433 1.480 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnc(OCC2CC2)c(Cl)c1 808535947 GDRFXRDPYOBELQ-UHFFFAOYSA-N 311.721 1.839 10 10 DDCE CC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H](O)C(F)F 296492257 XMCSVGXQJUPNRB-OLZOCXBDSA-N 315.364 1.956 10 10 DDCE C[C@@H](NCC(C)(C)CS(C)(=O)=O)c1c(O)cccc1O 723879445 OKVOTGRAYXSRKJ-SNVBAGLBSA-N 301.408 1.819 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O 588618733 YYJFDAUACXBFHF-BVXKZNFJSA-N 301.342 1.339 10 10 DDCE CC[C@H](C(=O)O)N(C)Cc1ccc(N2CCOCC2)c(F)c1 844938007 SKNUAWUSCJHIDT-CQSZACIVSA-N 310.369 1.957 10 10 DDCE COc1ccc(O)c(CNC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c1 848923992 UMHXYXJRCURMRS-MCIONIFRSA-N 308.422 1.988 10 10 DDCE COc1ccc(CNC(=O)N[C@@H]2CNCCC2(F)F)c(O)c1 842002457 LBGMKNDKOJYNNG-GFCCVEGCSA-N 315.320 1.197 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C[C@@]1(C)CCNC1 843060762 PECXYUSFYKRUAH-SFHVURJKSA-N 303.450 1.955 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=O)O[C@H]3CNOC3)C2)cc1 922950137 CTPCMCIFBYEHOY-WFASDCNBSA-N 321.377 1.151 10 10 DDCE COCC1(CS(=O)(=O)NCc2c(O)cccc2F)CCC1 921450834 GCXUNVZNFODDMR-UHFFFAOYSA-N 317.382 1.767 10 10 DDCE CC[C@@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)N(C)C 855234198 VDQBAUZJIDVLRA-BBRMVZONSA-N 305.422 1.730 10 10 DDCE CCn1nnc(C)c1CN[C@H]1CCN(c2ccc(OC)cc2)C1 850347345 QPJLPGFCQKACQO-AWEZNQCLSA-N 315.421 1.984 10 10 DDCE COc1cccc(CNC(=O)Cc2cnn3c2CCCC3)c1O 866762895 FKVYUXNBEQMHFH-UHFFFAOYSA-N 315.373 1.793 10 10 DDCE CC(=O)N[C@H](C(=O)NCc1ccc2cccnc2c1O)C(C)C 862028942 PSJPPKQMCRMKKI-AWEZNQCLSA-N 315.373 1.717 10 10 DDCE CCOC(=O)[C@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O 761576109 LUIGMUVGLYPBRM-GWCFXTLKSA-N 319.361 1.297 10 10 DDCE CN(CC1CC1)S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 775289688 ZQIVPPUPLGGVNC-UHFFFAOYSA-N 301.324 1.299 10 10 DDCE COc1cc(C)cc(CNCc2nc(CSC)n[nH]2)c1O 895813682 LWJMGJSFLVOJQU-UHFFFAOYSA-N 308.407 1.980 10 10 DDCE COC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(OC)ccc1O 895864188 PCFMDGLZGAMXOX-KGLIPLIRSA-N 309.362 1.601 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H](C)CCN(C)C)CC2)cc1 1137387034 UUBSVQKCBDVQBE-OAHLLOKOSA-N 319.449 1.932 10 10 DDCE CCc1cc(O)ccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1 790415454 GAJKQOJTUUKNRY-UHFFFAOYSA-N 310.331 1.782 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043266 PAWCSXVHLRYKDO-WRWGMCAJSA-N 312.410 1.801 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@@H](C)C2CC2)cc1C 1320201258 JLYPZFJQHYKEKM-XJKSGUPXSA-N 320.433 1.616 10 10 DDCE CC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1339757065 AZWRQNOZKQTZGX-VHSXEESVSA-N 319.365 1.882 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2n[nH]cc2F)cc1C 1274913178 KIPJWZIVDJEOSK-LLVKDONJSA-N 320.368 1.774 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccc2oc(O)nc2c1 1455317659 WLDZHDNOVLFVQR-UHFFFAOYSA-N 300.270 1.875 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1cc2n(n1)CCCC2 1469622226 LAPLKTYNPFIHPV-UHFFFAOYSA-N 301.346 1.490 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)c1cc2n(n1)CCC[C@@H]2O 1469876367 FPQYUPKIYVXDTH-AWEZNQCLSA-N 321.764 1.999 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1cccc(-n2cncn2)c1 1544190565 AJPGWPHIEKHPQX-UHFFFAOYSA-N 324.340 1.537 10 10 DDCE CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCN2CCO[C@H]1C2 1556735190 CJGLQTAPLQIAMB-FYQXYTAUSA-N 318.373 1.043 10 10 DDCE C/C=C/C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OCC 1556145564 KPSXYXABDRYYSN-PYEVWLCESA-N 307.346 1.654 10 10 DDCE COc1ccc(C(=O)NCc2ccc(O)c(O)c2)c(N)c1F 1630273632 RGOUAZPTINTJLK-UHFFFAOYSA-N 306.293 1.758 10 10 DDCE CC[C@@H](O)Cn1cc(C(=O)N[C@H](C)c2ccccc2O)nn1 1642827521 JXSRPMYYIMRFAB-GHMZBOCLSA-N 304.350 1.246 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)c1 1641733271 OXCGYYKFSNPRPS-OAHLLOKOSA-N 316.313 1.959 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2cnnn2C)cc1C 1732951593 KLIICSAIQWWKBC-GFCCVEGCSA-N 317.393 1.040 10 10 DDCE Cn1nnc(C(=O)NCc2cc(Cl)cc(Cl)c2O)n1 1641996817 BCJDWYQRQMQFRD-UHFFFAOYSA-N 302.121 1.153 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cc(S(N)(=O)=O)c(C)o2)c1 1641733177 KJOOECJGPCWCII-UHFFFAOYSA-N 324.358 1.179 10 10 DDCE N[C@H]1CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 165419748 MDIGGCAJXWKXGJ-GJZGRUSLSA-N 319.474 1.983 10 10 DDCE C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(N2CCOCC2)cc1 152337173 ZJDPMJQSAXXQGF-ZBFHGGJFSA-N 317.433 1.795 10 10 DDCE CCCCOCCCNC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878737 KMUXKZQUFRPCBY-UHFFFAOYSA-N 318.381 1.181 10 10 DDCE CC(C)[S@](C)(=O)=NS(=O)(=O)CCOc1ccc(N)cc1 1913870696 QNADWPANQAHQDT-IBGZPJMESA-N 320.436 1.484 10 10 DDCE COCC(COC)(COC)NCc1cc(Cl)ccc1O 1970260132 YQHKDTKNLIUCGB-UHFFFAOYSA-N 303.786 1.813 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CC(=N)N)Cc1ccc(O)c(O)c1 1951699660 RNXFLXSJEFWJHJ-SNVBAGLBSA-N 309.366 1.860 10 10 DDCE C[C@H](N[C@H](C)CS(=O)(=O)N(C)C)c1c(O)cccc1O 2151097715 HSSORFXHCJIBPE-ZJUUUORDSA-N 302.396 1.028 10 10 DDCE C[C@@](C[C@@H]1CCCS1(=O)=O)(NCCCN=[N+]=[N-])C(=O)O 2156780825 AKHVMRAIDDWPLA-ONGXEEELSA-N 304.372 1.087 10 10 DDCE CN1CCOC[C@@H]1CNCc1ccc(Br)cc1O 704010912 YLBBGSMPUUGQFQ-LBPRGKRZSA-N 315.211 1.575 10 10 DDCE CCc1nc(CNS(=O)(=O)Cc2ccc(N)cc2)cs1 380906685 IHPVLIVSZHVBKA-UHFFFAOYSA-N 311.432 1.907 10 10 DDCE CCN(C)C[C@@H]1CCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2062269262 TXUGZGIJOUGDOA-LBPRGKRZSA-N 317.393 1.157 10 10 DDCE C[C@@H](c1c(O)cccc1F)n1cc(C(=O)NC2CC2)c(O)n1 2070641848 UBDBFYNDYGSWLB-QMMMGPOBSA-N 305.309 1.935 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2C[P@@](C)(=O)C[C@@H]2O)c1O 2177840305 VHZZLECMYMBKSA-QZXWKGOOSA-N 319.725 1.880 10 10 DDCE COC(=O)c1c(C2CCCC2)nn2c(O)cc(CC(=O)O)nc12 2080934107 DATNSDBVFVWCKV-UHFFFAOYSA-N 319.317 1.506 10 10 DDCE C[C@H](O)CN(C[C@@H](C)O)c1ccc(CN)c(Br)c1 2041736903 QFZZSLNPZAHTQN-AOOOYVTPSA-N 317.227 1.476 10 10 DDCE CNCc1ccc(N2C[C@@H](CO)[C@@H](F)C2)c(Br)c1 2057011343 AYZFYBBPSUCMNF-JQWIXIFHSA-N 317.202 1.935 10 10 DDCE OC[C@@]1(CNCc2ccc(Br)cc2O)CCCO1 2073632984 NULMGDPPQIUQLM-ZDUSSCGKSA-N 316.195 1.786 10 10 DDCE CS(=O)(=O)CCN(c1ccc(CN)cc1Cl)C1CC1 2113819125 PWFZTMYYBFISDN-UHFFFAOYSA-N 302.827 1.812 10 10 DDCE O=C(NC1CSCCSC1)c1cc(O)c(O)c(O)c1 2228763263 ZAFCVTKIXZLOHK-UHFFFAOYSA-N 301.389 1.382 10 10 DDCE CSc1ncc(CNC(=O)NC[C@@H]2CC[C@H]2C(=O)O)s1 2284509924 YCUOVIQNCLJOBY-IONNQARKSA-N 315.420 1.775 10 10 DDCE CSc1ncc(CNC(=O)c2ncccc2C(=O)O)s1 2284539361 XYAAYJHYSNWOLT-UHFFFAOYSA-N 309.372 1.888 10 10 DDCE COc1ncnc(OC)c1CNCc1cnc(SC)s1 2284687997 IZSFXXIPBJKGRI-UHFFFAOYSA-N 312.420 1.962 10 10 DDCE CC(=O)NC(=S)NC=C1C(=O)N(c2ccccc2)N=C1C 2297531969 UUPXPPKCTGJFIV-UHFFFAOYSA-N 302.359 1.304 10 10 DDCE CO[C@H](CN)CN(C)Cc1ccc(C)c(Br)c1O 2327585342 GJJKAKPNKLCLAO-LLVKDONJSA-N 317.227 1.869 10 10 DDCE CN(C)S(=O)(=O)CCCNCc1cc(Cl)ccc1O 2341862530 LNMZZZUNSVVNKU-UHFFFAOYSA-N 306.815 1.417 10 10 DDCE CNC(=O)CCN(C)c1cc(Br)c(CN)cc1F 310615270 FLVHAKBDAJIQAH-UHFFFAOYSA-N 318.190 1.619 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC[S@@](C)=O 122725403 CIRHMPMPQSSZGN-QFIPXVFZSA-N 324.446 1.250 10 10 DDCE CC[C@@H](CO)N1CCN(Cc2cc(OC)c(OC)cc2O)CC1 180519191 GAQBIOMCAQDWIE-AWEZNQCLSA-N 324.421 1.298 10 10 DDCE C[C@H]1[C@@H](C)SCCN1S(=O)(=O)Cc1ccc(N)cc1 132028582 VNVZNRWNHOCCSM-WDEREUQCSA-N 300.449 1.924 10 10 DDCE COC(=O)c1sc(NN(C)S(=O)(=O)C2CCC2)nc1C 2365274237 YZRHRFFJBWVCSE-UHFFFAOYSA-N 319.408 1.379 10 10 DDCE CN1CCC[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1=O 295130531 HYBZALAJKVMNRC-ZDUSSCGKSA-N 317.389 1.346 10 10 DDCE CC(C)OC[C@H](O)CNCc1ccc(N2CCOCC2)cc1 818973642 UEGKNIMYKUOQOU-QGZVFWFLSA-N 308.422 1.399 10 10 DDCE CCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 812878338 XAXYTSXZUZVEHX-QGZVFWFLSA-N 319.449 1.822 10 10 DDCE CCN(CC)c1ccc(CNC[C@H](O)Cn2cccn2)cc1 818966058 YOTMOOZSYQBDBZ-KRWDZBQOSA-N 302.422 1.880 10 10 DDCE CC(C)(C)CS(=O)(=O)C[C@@H](O)COc1ccc(N)cc1 722438437 FRHBWVQWYOYIAK-LBPRGKRZSA-N 301.408 1.469 10 10 DDCE COCCN(C/C=C\c1ccc(N(C)C)cc1)[C@H](C)C(N)=O 835024972 BFLPPFLAQQKZKD-GEXIGZQTSA-N 305.422 1.588 10 10 DDCE COCCOCCCCNC(=O)NCc1c(O)cccc1F 915776731 ONWQEXDGADQNSZ-UHFFFAOYSA-N 314.357 1.774 10 10 DDCE CNS(=O)(=O)[C@H]1CCN(Cc2c(O)cc(C)cc2Cl)C1 840920684 IBVOYIWUUBUNBP-JTQLQIEISA-N 318.826 1.478 10 10 DDCE Cc1cc(O)c(CNC[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 840871837 FVUVKGPZSVFYBR-JTQLQIEISA-N 303.811 1.878 10 10 DDCE COc1ccc(CNS(=O)(=O)[C@@H]2CCO[C@H](C)C2)c(O)c1 849391147 JIRKGIFJXCTXNG-ZWNOBZJWSA-N 315.391 1.388 10 10 DDCE NC(=O)CC1CC(NCc2ccc(N3CCC(O)CC3)cc2)C1 922516306 WEAKQLCFNMOPQC-UHFFFAOYSA-N 317.433 1.391 10 10 DDCE COC(=O)c1ccc(S(=O)(=O)NCc2ccccc2O)cc1 751151719 VQCPNJAARQQMED-UHFFFAOYSA-N 321.354 1.657 10 10 DDCE CCCNCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851663256 WYXARUBRKLVSRT-CQSZACIVSA-N 320.437 1.573 10 10 DDCE O=C(c1nc[nH]n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 752147697 AXAQGINAXCDCTM-LBPRGKRZSA-N 302.334 1.332 10 10 DDCE COC(=O)/C(C)=C\CNC(=O)N[C@@H](C)c1cc(OC)ccc1O 925030398 WFZZNCOKPFQYRF-BRNRAETOSA-N 322.361 1.880 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3c[nH]ccc3=N)C2)cc1 852900892 UXDVBIRIFNARBM-GFCCVEGCSA-N 312.373 1.511 10 10 DDCE COc1ccc(O)c(CNC(=S)NCc2cc(C)on2)c1 865231752 ICDWYWSFWRUQBK-UHFFFAOYSA-N 307.375 1.862 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCNC23CCC3)c1O 863643086 FZYWEQKSCAPTRA-GFCCVEGCSA-N 307.350 1.683 10 10 DDCE C[C@H](NC[C@@]12COCCN1C(=O)OC2)c1ccc(N(C)C)cc1 866519957 YSNGDXZBYQRGSM-GUYCJALGSA-N 319.405 1.624 10 10 DDCE C[C@H](NC[C@H](O)CN1CCOCC1)c1ccc(N(C)C)cc1 775833504 KFMRSJCRVDSOHY-YOEHRIQHSA-N 307.438 1.096 10 10 DDCE C[C@H](NC[C@@H](O)CN1CCOCC1)c1ccc(N(C)C)cc1 775833503 KFMRSJCRVDSOHY-WMLDXEAASA-N 307.438 1.096 10 10 DDCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@]2(CCO[C@@H]2C)O1 1139926814 ZXGRHXRDNHWDPJ-PSTGCABASA-N 321.373 1.435 10 10 DDCE O=C(CCNC(=O)C1CCCCC1)NCc1c(O)cccc1O 1156881069 NXQXLDFUKDDLIP-UHFFFAOYSA-N 320.389 1.801 10 10 DDCE O=C(N[C@H](CO)C(F)(F)F)c1cc2cc(O)c(O)cc2s1 1179895559 VXRGJYHUDXDWAJ-SNVBAGLBSA-N 321.276 1.966 10 10 DDCE CCN(CC)c1ccc(CNC(=O)/C=C/C(=O)N(C)C)cc1F 1443767710 GSBYJASICCHGFM-MDZDMXLPSA-N 321.396 1.933 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](OCCO)C2)cc1 1447721353 DURYTJPXMRQPIE-ZDUSSCGKSA-N 320.349 1.463 10 10 DDCE COC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1cccs1 1442649001 OAXPOUGLPHYJEO-LLVKDONJSA-N 307.327 1.803 10 10 DDCE CNC(=O)Nc1cccc(C(=O)NCc2ccc(O)c(O)c2)c1 1631438416 DURFMITYSFEMFK-UHFFFAOYSA-N 315.329 1.779 10 10 DDCE Nc1nc(NCc2c(O)cccc2F)nc(C(F)(F)F)n1 1651438814 SEFYEBWDBHLTSH-UHFFFAOYSA-N 303.219 1.929 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cnn(-c2ccccc2)n1 1651222615 KPMZXIUZXTVFDJ-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CCOC(=O)/C=C/CN(CC(=O)OCC)Cc1ccccc1O 1653969880 MDTIJHAWOKESLW-JXMROGBWSA-N 321.373 1.877 10 10 DDCE CCC(=O)N[C@@H](C)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1680035712 IYKSCBFWQQDXSG-JTQLQIEISA-N 319.365 1.836 10 10 DDCE OC[C@H](O)[C@@H](/C=C/c1ccc(O)cc1)c1ccc(O)c(O)c1 14696111 UWWISKPOVFKUES-OZGIYJAKSA-N 302.326 1.954 10 10 DDCE biogenic CSCC[C@@H](NC(=O)c1ccc(CNC(C)=O)cc1)C(=O)O 33520234 ZCYMUVRLKVOJAR-CYBMUJFWSA-N 324.402 1.259 10 10 DDCE Nc1ccc(NC(=O)CCN2CCCC[C@H]2C2OCCO2)cc1 2145810469 XBMWQKMZWMUHMU-HNNXBMFYSA-N 319.405 1.825 10 10 DDCE CS(=O)(=O)C1CN(c2ccc(CNC3CC3)c(Cl)c2)C1 2152287173 WWXSLBUFGSMYNY-UHFFFAOYSA-N 314.838 1.825 10 10 DDCE CN(c1c(F)cc(CN)cc1F)[C@H]1CS(=O)(=O)C1(C)C 2153844269 CAKMDOWGMNOIBE-NSHDSACASA-N 304.362 1.435 10 10 DDCE CCCS(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@@H](N=[N+]=[N-])C1 701318539 IHZRTZCCJXAHGR-VHSXEESVSA-N 303.388 1.006 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCC(C)(C)n3ccnc3)c2n1 2062749410 HRECMVXYGXFDLM-UHFFFAOYSA-N 314.349 1.105 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCOC[C@H]3C3CCC3)c2n1 2063333057 KZHYENIWDRABOV-ZDUSSCGKSA-N 316.361 1.384 10 10 DDCE O=S(=O)(C[C@H]1N[C@@H]2CC[C@H]1C2)Nc1ccc(O)c(Cl)c1 2178657986 PLSDNAMLEDSVKI-YGOYTEALSA-N 316.810 1.928 10 10 DDCE NCc1cc(F)c(N2C[C@H]3C[C@@H](O)[C@@H](O)[C@H]2C3)cc1Cl 2177388467 PMRDIJCZYJJVPF-IIIJUWHMSA-N 300.761 1.258 10 10 DDCE CC1(C)C[C@@H](S(C)(=O)=O)CN1c1ccc(CN)cc1F 2179919056 FIXHHYQFZOWIRC-LLVKDONJSA-N 300.399 1.686 10 10 DDCE C[C@@H](N)c1cc(F)c(N2CC[C@H](S(C)(=O)=O)C2)c(F)c1 2194692842 WPZZRGPHGNCVKX-SCZZXKLOSA-N 304.362 1.608 10 10 DDCE Cn1nc(Br)c([C@H](O)[C@@H](N)c2ccccc2O)n1 2048781338 PZKBKVFUULLQDA-WCBMZHEXSA-N 313.155 1.017 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1COc1nnc(=N)[nH]n1 2210653305 HMAUNBDXAWWMST-UWVGGRQHSA-N 324.385 1.141 10 10 DDCE Cc1ccc(CNC(=O)[C@H]2NC[C@@H]2C)c(O)c1Br 2327590678 ANKIYTADYNODPN-KWQFWETISA-N 313.195 1.687 10 10 DDCE COCCCOC1CN(C(=O)NCc2ccc(N(C)C)cc2)C1 175992560 DAUJAQGRYMJIET-UHFFFAOYSA-N 321.421 1.700 10 10 DDCE CC1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)COC1 112717819 GMPDSBLCULMXID-UHFFFAOYSA-N 319.405 1.359 10 10 DDCE Cc1cc(N2CCC[C@@H](N)C2)ccc1OCCS(C)(=O)=O 63063380 QUFMBQRQBXKYGT-CYBMUJFWSA-N 312.435 1.346 10 10 DDCE C[C@@H]1CN(Cc2c(O)ccc3ccccc23)C[C@@H](C(N)=O)O1 120294024 MCTZBPYKKMHGOP-BZNIZROVSA-N 300.358 1.620 10 10 DDCE Nc1ccc(NC(=O)CCSc2nc(N)cc(=O)[nH]2)cc1 41027144 CXWUREXUWYTZIP-UHFFFAOYSA-N 305.363 1.055 10 10 DDCE NC(=O)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1F 181062958 QJKJCWHKFWSUQE-QHHAFSJGSA-N 316.288 1.988 10 10 DDCE CN(CC(N)=O)c1ccc(CNC2CC2)c(Br)c1 234264243 VJOGLOPRGQORCE-UHFFFAOYSA-N 312.211 1.623 10 10 DDCE Cc1cc(/C=C2\SC(=N)NC2=O)ccc1N1CCOCC1 96905254 IRLJZKQAJXYSFS-LCYFTJDESA-N 303.387 1.970 10 10 DDCE CN1CCN(C(=O)c2ccnc3c2CC(=O)N3)c2cccnc21 612003895 UXMWVQPWJSPTQA-UHFFFAOYSA-N 309.329 1.068 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CCCN1Cc1ccc(F)cc1 808523691 PVTBNYRWHLSFOO-CQSZACIVSA-N 307.321 1.491 10 10 DDCE Cc1nn(C)cc1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 808107973 RLADGIRVGYXBPW-UHFFFAOYSA-N 312.307 1.143 10 10 DDCE CC(=O)C(=O)COC(=O)C1(Cc2ccc(F)cc2)CCOCC1 814489365 BJOVGGAOKAYDIO-UHFFFAOYSA-N 322.332 1.866 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@H](C)c2nccn2C)c1O 827722514 LHJILKCAGVKVGZ-SECBINFHSA-N 306.322 1.893 10 10 DDCE CN1CCCc2cc(CNC(=O)CCOC3CNC3)ccc21 827913820 OTWMGJVFTASPPQ-UHFFFAOYSA-N 303.406 1.064 10 10 DDCE COc1ccc(CNCCCN2CCCS2(=O)=O)cc1C 729683991 BYWSKZQQBZYTJN-UHFFFAOYSA-N 312.435 1.519 10 10 DDCE CN1CCN(Cc2ccc(N3CCOCC3)cc2)CCC1=O 827359947 WUCALHIVYHGUTL-UHFFFAOYSA-N 303.406 1.187 10 10 DDCE Cc1ccc(C(=O)N2CC[C@H]([C@H](O)C(F)(F)F)C2)c(O)c1O 837036820 IYJDUMFUVJVKIN-UFBFGSQYSA-N 319.279 1.792 10 10 DDCE CCN(CCOCCO)c1ccc(/C=C\C(=O)O)cc1[N+](=O)[O-] 844212873 OJSNZJSRFMJWIP-XQRVVYSFSA-N 324.333 1.528 10 10 DDCE C[C@H](NC(=O)N[C@H](C)[C@H](C)N)c1ccc(N2CCOCC2)cc1 841739704 BFWTVRYHJLEQSL-MJBXVCDLSA-N 320.437 1.619 10 10 DDCE O=S(=O)(C[C@@H]1CCCOC1)NCc1c(O)cccc1F 921452310 LDBLMOKVTKFNFR-SNVBAGLBSA-N 303.355 1.377 10 10 DDCE C[C@H](NC(=O)NCc1c(O)cccc1F)[C@@H]1CN(C)CCO1 921557019 SQSZJOJLEFXKIM-HZMBPMFUSA-N 311.357 1.050 10 10 DDCE CN(C)c1ccc(/C=C\CN2C[C@@H]3COC[C@]3(C(=O)O)C2)cc1 854242606 NUSPFMJOZNMGHW-DRJMZUFCSA-N 316.401 1.799 10 10 DDCE C[C@@H]1[C@H](NC[C@H](N)c2ccc(N(C)C)cc2)C[C@H]2CC[C@H]1N2 925695968 YXJGZFJFSQRUJG-PWNHBPOLSA-N 302.466 1.871 10 10 DDCE COC(C)(C)CS(=O)(=O)NNc1nc2cccnc2s1 857226014 XNRJXPTVTXTMQZ-UHFFFAOYSA-N 316.408 1.363 10 10 DDCE COc1ccc(CNC(=O)N[C@@H]2C[C@H](C)n3ncnc32)c(O)c1 852478204 RJEQTZXGYSQLHK-JOYOIKCWSA-N 317.349 1.498 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CC[C@H]3CCNC3)C2)cc1 852843996 MHYODIDHOSANDM-GJZGRUSLSA-N 317.433 1.780 10 10 DDCE CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2cc3c(cc2O)OCO3)C1 850353498 DTZVCBMURQBELO-BNOWGMLFSA-N 323.389 1.777 10 10 DDCE Cc1cc(Cl)cc(CN2CCN(c3nccnn3)CC2)c1O 862442892 KVGBBOJNXMKQIB-UHFFFAOYSA-N 319.796 1.861 10 10 DDCE COc1ccc(CNC(=O)c2cccn(C3CC3)c2=O)c(O)c1 867956117 NQUSYOQIVSJCTE-UHFFFAOYSA-N 314.341 1.827 10 10 DDCE CC(=O)N1CCC[C@H](CNC(=O)N2Cc3cccc(O)c3C2)C1 875548823 DBVYEEPZUJAGOP-CYBMUJFWSA-N 317.389 1.676 10 10 DDCE C[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(O)c(O)c1 778923321 MTVLVMSGVYBVLO-LLVKDONJSA-N 314.341 1.533 10 10 DDCE COC(=O)/C=C\c1ccc(N2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 788078042 SVCOATHQUCXADB-INCYKZHSSA-N 306.318 1.741 10 10 DDCE COC(=O)[C@H](NCc1cc(C)cc(OC)c1O)c1ccnn1C 895088432 YUPFWBGGHRTJMC-CQSZACIVSA-N 319.361 1.447 10 10 DDCE C[C@]1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCS(=O)(=O)C1 1141334256 FZHKVWXIXVBCJB-ZDUSSCGKSA-N 324.362 1.156 10 10 DDCE O=C1NC[C@@H](CNCc2ccc(Br)cc2O)O1 1964063618 XKUYFWYXOQRZJL-SECBINFHSA-N 301.140 1.353 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)N2CCOc3ncccc32)c1 177219740 YQXOULZDJVVFQF-SNAWJCMRSA-N 324.340 1.275 10 10 DDCE CCN(C[C@@H]1CCOC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1348585148 LVRLQKINUFXYDA-LBPRGKRZSA-N 318.373 1.119 10 10 DDCE C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCc3ccc(O)c(O)c3)CN2C1 1521265899 JWCDBGJEEHMBEP-YUELXQCFSA-N 318.417 1.877 10 10 DDCE CO[C@@H](Cc1ccccc1)C(=O)NCc1ccc(O)cc1O 1451770670 QRXWEYMDCWJLJD-INIZCTEOSA-N 301.342 1.972 10 10 DDCE Cc1cc(C)nc(C2CN(C(=O)Cc3ccc(O)c(O)c3)C2)n1 1471079994 WRHLKJKUYBFZPA-UHFFFAOYSA-N 313.357 1.673 10 10 DDCE CNc1nc(C)cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 1611430725 GWJCEEPGZNCIBP-VIFPVBQESA-N 316.361 1.599 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2CCC3(C2)OCCO3)c1O 1633676652 JYEWJIDEJMCISI-GFCCVEGCSA-N 322.361 1.496 10 10 DDCE O=C(NCCOc1ncccc1F)c1c(F)ccc(O)c1O 1648669522 QUXSCEGFOWXKGX-UHFFFAOYSA-N 310.256 1.580 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H](NC(N)=O)C(C)C)c1 1595806478 LLJZCSQBBGGOIM-ZANVPECISA-N 309.366 1.271 10 10 DDCE C[C@@](O)(CCO)CNCc1ccc(Br)cc1O 1966083251 BLXZUHXGSSUSSI-GFCCVEGCSA-N 304.184 1.378 10 10 DDCE COC(=O)[C@@H]1C[C@@H]2CCC[C@H]2N1C(=O)c1cc(O)c(O)c(O)c1 1866302797 DQZUHPWGNSTGQD-GDPRMGEGSA-N 321.329 1.360 10 10 DDCE COCCCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(N)cc1 111659415 WBCNMVPCXFHXDF-SNVBAGLBSA-N 300.380 1.047 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CCc1cc(O)nc(O)c1)C(=O)O 1951873050 QFUPBRZXEIWCIC-VIFPVBQESA-N 312.322 1.403 10 10 DDCE CC(C)(C)OC(=O)N1CC(=O)N[C@@H](c2cc(N)ccc2O)C1 1952966557 XJWUNMVEFJMGMS-LLVKDONJSA-N 307.350 1.382 10 10 DDCE CC1(C)C[C@H](NCc2cc(F)ccc2O)CCS1(=O)=O 2144170740 LZYIQMCTILHSOQ-GFCCVEGCSA-N 301.383 1.977 10 10 DDCE CN(Cc1ccc(N)cc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1977849008 NIFDDSHUSWVELR-CABCVRRESA-N 321.421 1.681 10 10 DDCE CN(Cc1ccccc1O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1989684013 IJQDAIRYFGGYCV-DZGCQCFKSA-N 322.405 1.804 10 10 DDCE OCc1ccc(N2C[C@H](O)[C@H]3COC[C@H]32)cc1Br 2040592265 GLIAYOLNLKJDKW-UHTWSYAYSA-N 314.179 1.137 10 10 DDCE NCc1cc(F)c(N2[C@H](CO)C[C@H]3OCC[C@@H]32)cc1Cl 2177380111 BZFXBULXJUGGDJ-DUFXMDAXSA-N 300.761 1.666 10 10 DDCE O=C1C[C@@H](NCc2cc(Br)cc(F)c2O)CN1 715758141 IQRLRPQVMGODEU-MRVPVSSYSA-N 303.131 1.272 10 10 DDCE C[C@H](N)c1ccc(N2CC(=O)N[C@H]3CC[C@H]32)c(Br)c1 2112059154 VQTJJTMIZPOVLX-LJUAHTATSA-N 324.222 1.936 10 10 DDCE COc1ccc(Br)c(CN(OC)C2CNC2)c1O 2220455649 FXOWMFMYFKVXIL-UHFFFAOYSA-N 317.183 1.499 10 10 DDCE Oc1cccc(Br)c1CN[C@H]1CCn2cnnc2C1 2228339542 HGNMIYBPWBHGCJ-VIFPVBQESA-N 323.194 1.851 10 10 DDCE CN(C)CCN(CCN)Cc1c(O)cccc1Br 2254622965 OYCAILXTAGSCHU-UHFFFAOYSA-N 316.243 1.477 10 10 DDCE CSc1ncc(CNC(=O)NCC2(C(=O)O)CCC2)s1 2284538837 QDHPPACPZYDVLA-UHFFFAOYSA-N 315.420 1.919 10 10 DDCE C[C@@H](NC(=O)C=Cc1ccc(O)c(O)c1)[C@@H](C)N1CCOCC1 2308000855 UWPCPCVAEPCBOA-CHWSQXEVSA-N 320.389 1.336 10 10 DDCE Cc1nn(C)c(C)c1CNC(=O)[C@H](C)Cc1ccc(O)c(O)c1 170038992 NSDATWZVRYCOMX-SNVBAGLBSA-N 317.389 1.943 10 10 DDCE CC(=O)N(C(=O)C(=O)Nc1cccc(C)n1)c1ccc(N)cc1 170318662 ZYSLRNLKUKSCJU-UHFFFAOYSA-N 312.329 1.490 10 10 DDCE Nc1ccc(OCCN2CCN(c3nccs3)CC2)cc1 36671459 YWJXRXVYIOTVBJ-UHFFFAOYSA-N 304.419 1.926 10 10 DDCE O=C(/C=C/c1cncc(O)c1)NCCc1ccc(O)c(O)c1 182130169 HCPGKJQTJHTHAT-DUXPYHPUSA-N 300.314 1.571 10 10 DDCE C[C@H](O)C[C@H]1CCCN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 133148520 VFHQCCFPEGXWCM-VHSXEESVSA-N 321.333 1.665 10 10 DDCE COc1ccc(O)c(CNN(C)S(=O)(=O)C2CCC2)c1 2365328510 DVEKDCMXIVSLLD-UHFFFAOYSA-N 300.380 1.220 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H](S(=O)(=O)C(F)F)C2)cc1 2368588810 NFLFIMPTGNGLMP-BXKDBHETSA-N 304.362 1.922 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@@H](S(=O)(=O)C(F)F)C2)cc1 2368803083 KFVPQBYDTCAYCC-JOYOIKCWSA-N 305.346 1.956 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4CC[C@@H](O)[C@H]4C3)c(Cl)cc21 252867713 NBHIEUFPIDGVPH-QSOVZBCISA-N 307.781 1.499 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@@H]2CCCS(=O)(=O)C2)cc1 835039015 AAQMZNBWRQXHMP-UYWPIULCSA-N 308.447 1.933 10 10 DDCE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCCc2ccc(N)cc2)CC1=O 841856408 NOTKWEDCTWEDPC-UGFHNGPFSA-N 316.405 1.120 10 10 DDCE O=C(c1cc(O)cs1)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 854888476 NDQWZEAJBUWSJB-GXSJLCMTSA-N 301.389 1.245 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CCCO3)C2)cc1 855233424 YLCRTWGSSVBXCO-BBRMVZONSA-N 304.390 1.959 10 10 DDCE COC(=O)[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)C1 853244167 FTRSQRUDAHXPHW-OTVXOJSOSA-N 319.405 1.846 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2n(n1)CCC2 935945683 GWRGKPWMCQDHHC-UHFFFAOYSA-N 306.362 1.951 10 10 DDCE CC[S@@](C)(=O)=NS(=O)(=O)NCc1cc(C)ccc1O 867558962 DTNNRZDVWVEGCH-GOSISDBHSA-N 306.409 1.153 10 10 DDCE C[C@](CO)(NCc1cc2c(cc1O)OCO2)c1cccc(O)c1 862432464 FACXRRDVCGSNRU-QGZVFWFLSA-N 317.341 1.824 10 10 DDCE O=C(C(=O)N1CCC[C@@H]1C1CC1)N1Cc2cccc(O)c2C1 1118940640 QSOXQQOJYQOTPE-CQSZACIVSA-N 300.358 1.635 10 10 DDCE CN1CCCC[C@@H](N(C)C(=O)c2c(F)ccc(O)c2O)C1=O 872257988 OSMYMFOOLJTUMA-SNVBAGLBSA-N 310.325 1.320 10 10 DDCE O=S1(=O)CC(C2CN(Cc3ccc(N4CCCC4)cc3)C2)C1 1119450813 YMTRPWMSRGWFOD-UHFFFAOYSA-N 320.458 1.763 10 10 DDCE Cn1nnnc1CCNCc1cc(-c2ccccc2)ccc1O 771877709 SAJDESQQHFIOLH-UHFFFAOYSA-N 309.373 1.915 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@]34COC[C@@H]3C4)C2)cc1 889327763 OXYSAUVDAHVSLT-AHIWAGSCSA-N 317.389 1.362 10 10 DDCE COc1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)c(O)c1 794378385 FYBXQYMQGVCMSE-UHFFFAOYSA-N 317.301 1.942 10 10 DDCE O=C(NCc1c(O)ccc2ccccc12)[C@H]1CCS(=O)(=O)C1 1304090006 UUGDGUYHQPGLDQ-LBPRGKRZSA-N 319.382 1.596 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)NC[C@H]2CCCC23CC3)cc1 1329092398 PXMBXTVTKFHRDQ-CQSZACIVSA-N 315.417 1.624 10 10 DDCE OC[C@]1(O)CCCN(Cc2ccc(Br)cc2O)C1 1261677624 XFQSDJUOSCKCBQ-ZDUSSCGKSA-N 316.195 1.474 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)Cc2nc(C3CC3)n[nH]2)c1 1631543287 SQTOYKMSISNULL-SECBINFHSA-N 316.361 1.816 10 10 DDCE COC(=O)c1ncoc1CNC(=O)c1ccc(C)c(O)c1O 1636559401 YBSZILRFPOQCQO-UHFFFAOYSA-N 306.274 1.111 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1ccc(CO)nc1 1638573256 PCKPAWVIQJANTO-UHFFFAOYSA-N 309.325 1.758 10 10 DDCE NC(=O)c1cc(NCCc2ccc(O)c(O)c2)ccc1[N+](=O)[O-] 1642364997 PHPLELBTONAYHB-UHFFFAOYSA-N 317.301 1.760 10 10 DDCE COC(=O)Cc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1587922660 HRCRYPOBYLEIQW-UHFFFAOYSA-N 315.325 1.995 10 10 DDCE Cc1nc2ccnn2cc1C(=O)NCCc1ccc(O)c(O)c1 1595752462 PRRYPRFMLWBRDE-UHFFFAOYSA-N 312.329 1.421 10 10 DDCE COCCNCc1ccc(N2CCNC(=O)[C@H]2C)c(Cl)c1 164071385 XDLDCEYFRNJZHU-LLVKDONJSA-N 311.813 1.401 10 10 DDCE CNCc1ccc(N2CCN(CC(C)(C)O)CC2)c(Cl)c1 164100680 IEZBLZLVBUQKTM-UHFFFAOYSA-N 311.857 1.952 10 10 DDCE COc1ccc(CNOCCNC(=O)OC(C)(C)C)c(O)c1 1928529480 OJDIRAFHMMUMPU-UHFFFAOYSA-N 312.366 1.947 10 10 DDCE C[C@@H](CNC(=O)OC(C)(C)C)NCc1ccc(O)c(O)c1O 235157706 AJHAPSMFYGIVCX-VIFPVBQESA-N 312.366 1.806 10 10 DDCE CNCc1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)c(Cl)c1 2144168801 AAPMVOHFRFDZJX-VXGBXAGGSA-N 314.838 1.540 10 10 DDCE COc1cc(Cl)cc(CNCC2CS(=O)(=O)C2)c1O 701866867 HUEJYTBRDQCIQH-UHFFFAOYSA-N 305.783 1.188 10 10 DDCE Oc1cc(Br)ccc1CN[C@H]1COCC[C@@H]1O 710940296 KIPBBCUJSPNUOJ-QWRGUYRKSA-N 302.168 1.394 10 10 DDCE COc1ncc(S(=O)(=O)Nc2ccc(O)c(C)c2)s1 388923659 WSBWOYJGXHTEMS-UHFFFAOYSA-N 300.361 1.967 10 10 DDCE O=C(NCc1c(O)cc(O)cc1O)[C@H]1CCC[C@@H]2CCCN21 2065069074 DUAXTGYEIUWNEB-ZWNOBZJWSA-N 306.362 1.437 10 10 DDCE CC(C)O[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H]1CN=[N+]=[N-] 2179616596 CCYGFIRUZQGISC-GRYCIOLGSA-N 302.400 1.352 10 10 DDCE Cc1[nH]c(=N[C@H](C)c2ccccc2O)sc1S(N)(=O)=O 2192622278 LWNGTGQKOHAJHY-SSDOTTSWSA-N 313.404 1.400 10 10 DDCE NC(=O)[C@H]1CC[C@@H](NCc2ccc(Br)cc2O)C1 1658327563 PQZJHUNPHSOEIV-GZMMTYOYSA-N 313.195 1.898 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H](O)C[C@@H](O)C2)cc1Br 2043130134 WUPXFYQXGNHGDP-JMJZKYOTSA-N 315.211 1.401 10 10 DDCE COCCN(c1ccc(CN)c(Br)c1)C1COC1 2073286076 HGPBNBQXPINJRM-UHFFFAOYSA-N 315.211 1.759 10 10 DDCE CCNCc1ccc(N(C)C2CS(=O)(=O)C2)cc1Cl 2095905387 ADWSWODCARSLGK-UHFFFAOYSA-N 302.827 1.683 10 10 DDCE C[C@@H](NCc1ccc(F)cc1O)[C@H]1CCCS(=O)(=O)C1 2204747580 SRZDFZUDJRNQIL-PWSUYJOCSA-N 301.383 1.834 10 10 DDCE COC[C@H](CO)NCc1ccc(C)c(Br)c1O 2307475239 PCJDYDSBPNCBHD-JTQLQIEISA-N 304.184 1.560 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H]3CO)cc1Br 2311891770 XDEXLWBJRVQQRZ-SUHUHFCYSA-N 311.223 1.986 10 10 DDCE Cc1ccc(CN2CCOC[C@H](N)C2)c(O)c1Br 2327789521 MWXNIVQNUUHBIK-LLVKDONJSA-N 315.211 1.623 10 10 DDCE CNC(=O)[C@H]1CCCN1c1ccc(CN)c(Br)c1 228149968 ZEKNCHIYYLFUFA-GFCCVEGCSA-N 312.211 1.623 10 10 DDCE COC(=O)c1sccc1NC(=O)c1cc(O)c(O)c(O)c1 170190541 XTUVNUDGJHBZTL-UHFFFAOYSA-N 309.299 1.904 10 10 DDCE COc1ccc(N(CCCS(N)(=O)=O)[C@H](C)C2CC2)cc1 171937952 KJRWZSYNPLPGET-GFCCVEGCSA-N 312.435 1.979 10 10 DDCE CCO[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 301608647 AAMCGGMSHHRZEK-SNVBAGLBSA-N 321.333 1.931 10 10 DDCE CS(=O)(=O)[C@@H](C(=O)N1CCC[C@@H](N=[N+]=[N-])CC1)C1CC1 2361143117 OMVZDLDLWYYHLW-GHMZBOCLSA-N 300.384 1.501 10 10 DDCE COc1cc(N(C)Cc2nnnn2C(C)C)cc(OC)c1OC 125705581 URFVSBSSJUQLMH-UHFFFAOYSA-N 321.381 1.916 10 10 DDCE Nc1ccc(CS(=O)(=O)NCCCCn2ccnc2)cc1 45094212 FZFPBOIJCVNUNF-UHFFFAOYSA-N 308.407 1.365 10 10 DDCE Nc1ccc(N2C(=O)[C@H]3CC[C@@H](O3)C2=O)c(Br)c1 222859015 HFJWQFHEMNRANY-NXEZZACHSA-N 311.135 1.452 10 10 DDCE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Cc1ccc(N)cc1 237508542 RKQZNJGEKNKMEH-NSHDSACASA-N 300.406 1.909 10 10 DDCE O=S(=O)(O)c1ccc(NC(=S)NCc2ccccn2)cc1 243852471 RFWZGKTXUOJRQR-UHFFFAOYSA-N 323.399 1.815 10 10 DDCE CN(CCS(C)(=O)=O)c1ccc(/C=C\C(=O)O)cc1Cl 379492010 UFXGCCZFUFXLGH-XQRVVYSFSA-N 317.794 1.919 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1)N1CCC[C@@H](CCO)C1 2166875116 DTNAPSKOQAQKJS-NSHDSACASA-N 300.380 1.143 10 10 DDCE CC[C@@H](CO)N1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 292760997 IVZXGTKLIGSNDN-KRWDZBQOSA-N 305.466 1.950 10 10 DDCE Cn1cc(C(=O)NCc2cc(Br)ccc2O)cn1 804737518 KHMFOEWDANOCQP-UHFFFAOYSA-N 310.151 1.818 10 10 DDCE CCc1c(C(=O)OCC(=O)C(C)=O)cnn1-c1ccccc1 808501592 RZDJCMDCYLEMBD-UHFFFAOYSA-N 300.314 1.750 10 10 DDCE COc1cccc(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c1O 827544838 LRAGKOKJDPUYIH-ZDUSSCGKSA-N 307.394 1.589 10 10 DDCE CN(C)c1ccc(CN(C(=O)C2=NNC(=O)C2)C2CC2)cc1 732269849 VWIXIDGLTMUUJV-UHFFFAOYSA-N 300.362 1.120 10 10 DDCE CCCN(C)S(=O)(=O)Nc1cc(F)c(O)cc1C(=O)OC 830156774 YLDUXYIJSOIAEM-UHFFFAOYSA-N 320.342 1.316 10 10 DDCE C[C@@H](O)CN1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835027894 OGQUSSQOSSXBSE-YIEVGGLXSA-N 303.450 1.764 10 10 DDCE Nc1ccc(Cc2noc([C@@]34[C@@H]5[C@H]6C(=O)[C@H]3[C@@H]3[C@@H]6C[C@@H]5[C@H]34)n2)cc1 843161407 TTYJEAGCSHKZHF-WSEZRHPFSA-N 319.364 1.821 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)[C@H](O)C2CCC2)cc1 846448558 ZLAOMCPZJVYXBY-MRXNPFEDSA-N 306.406 1.751 10 10 DDCE Nc1ccc(CCNC(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)cc1 848602614 CKTIJWRMRMTBAE-CQSZACIVSA-N 318.377 1.094 10 10 DDCE COC(=O)/C(C)=C/CNC(=O)N[C@@H](C)c1cc(OC)ccc1O 925030401 WFZZNCOKPFQYRF-HUYFXPKMSA-N 322.361 1.880 10 10 DDCE COc1ccc(N2CC[C@H](NCc3ccnc(OC)n3)C2)cc1 850347149 ORCLGBRKNPFLEX-AWEZNQCLSA-N 314.389 1.862 10 10 DDCE CC(C)C(=O)NCCCNC(=O)NCc1c(O)cccc1F 921659923 PSGJYXINEVPKMR-UHFFFAOYSA-N 311.357 1.493 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)n3cccn3)C2)cc1 855231227 UQIPEGIHUPCSPF-KBPBESRZSA-N 314.389 1.848 10 10 DDCE COc1cccc(CNCC[S@](=O)CC(F)(F)F)c1O 850347908 AHUQQPHCNRRZBC-FQEVSTJZSA-N 311.325 1.801 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CC[C@](C)(O)C3)C2)cc1 854299170 MNWCSODPNOXATM-GUYCJALGSA-N 319.405 1.440 10 10 DDCE Oc1ccc(Cl)cc1CN1CCN(c2nccnn2)CC1 862437145 OADVXJQHXVHQHO-UHFFFAOYSA-N 305.769 1.553 10 10 DDCE CO[C@H]1COCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1O 868666689 HKBYBJGJVSELIQ-HUBLWGQQSA-N 308.378 1.804 10 10 DDCE COCCCN(CCO)C(=O)c1ccc(N=NC(N)=O)cc1 1138298249 JUXZQDMXYOYUEN-UHFFFAOYSA-N 308.338 1.320 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCn2c(nnc2C(F)F)C1 1139612164 CZCHIRDHSVPSJE-UHFFFAOYSA-N 324.287 1.212 10 10 DDCE Cc1c(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)cnn1C 791161879 PKMHAIHSGMVEMT-FNORWQNLSA-N 301.346 1.812 10 10 DDCE C[C@H](NC(=O)C1CCCCC1)C(=O)NCc1c(O)cccc1O 1304049990 GCIWZDXQKFAHGP-NSHDSACASA-N 320.389 1.799 10 10 DDCE Nc1ccc(O)c(CNc2nc[nH]c(=O)c2Br)c1 164532958 LWUQRNIYIZOZRR-UHFFFAOYSA-N 311.139 1.432 10 10 DDCE COc1ccc(N(C)CCN(C)CCNC(=O)C2CC2)cc1 1171730084 RAHFWFWPRVSBIY-UHFFFAOYSA-N 305.422 1.589 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@@H](NS(C)(=O)=O)C2)c(Cl)c1 702989656 YFEWQUYZRZOEMJ-MWLCHTKSSA-N 318.826 1.521 10 10 DDCE COc1cc(CN2CC3(CNC(=O)O3)C2)c(O)c(C(C)(C)C)c1 1261677128 GUXQLOWPYRIBSD-UHFFFAOYSA-N 320.389 1.993 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cncnc3C)C2)cc1 1351216170 JDKFIFONCDXAGO-ZDUSSCGKSA-N 312.373 1.802 10 10 DDCE NC(=O)CCCCNC(=O)c1cc2cc(O)c(O)cc2s1 1446866085 JIIBGAOKOLLFBT-UHFFFAOYSA-N 308.359 1.698 10 10 DDCE CCN(CCO)c1ccc(CN(C)CCC(=O)O)cc1OC 212677948 RPFAKVDLCHLWGI-UHFFFAOYSA-N 310.394 1.420 10 10 DDCE CCCN1CCC(N(C)C(=O)Cc2ccc(O)c(O)c2)CC1 1464396547 BXOZMVSLICCUAF-UHFFFAOYSA-N 306.406 1.973 10 10 DDCE Cn1cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)nn1 1628458103 BGVAELYOFHXVOA-UHFFFAOYSA-N 304.331 1.371 10 10 DDCE COc1cccc(CNC(=O)COc2ccc(CO)cc2)c1O 1636061265 LIOFPZNQWTWKAX-UHFFFAOYSA-N 317.341 1.588 10 10 DDCE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)NCCF 1633922674 KJANGQXUCHGUSZ-QMMMGPOBSA-N 309.301 1.053 10 10 DDCE CN(C)C(=O)O[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1641031781 YOMRLTCZYHYHMS-LBPRGKRZSA-N 322.361 1.330 10 10 DDCE NC(=O)c1ccc(/C=C\C(=O)NCc2c(O)cccc2O)o1 1647289442 DJGQXLGSCJATSY-ALCCZGGFSA-N 302.286 1.119 10 10 DDCE COc1ccc(CNC[C@@H](C)N(C)C(=O)[C@@H]2CCOC2)cc1C 1666865734 WCTKRAVDPVWNMA-GDBMZVCRSA-N 320.433 1.977 10 10 DDCE O=C1/C(=C\c2ccc[nH]2)SC(=S)N1CCN1CCOCC1 1858587751 YWCIHNBRTKDLII-ZRDIBKRKSA-N 323.443 1.548 10 10 DDCE O=C(O)[C@H](CO)N1C(=O)/C(=C\c2ccsc2)SC1=S 1858596047 NGCNQQLPUARCBH-TWGKFFBLSA-N 315.397 1.395 10 10 DDCE CC[C@H](N[C@H](C)CS(=O)(=O)N(C)C)c1ccccc1O 1967467216 YDFBDXUUPNURBQ-YPMHNXCESA-N 300.424 1.713 10 10 DDCE CN1CCN(C(=O)OC(C)(C)C)[C@@H](c2cc(N)ccc2O)C1=O 1952909062 GWCRKWVVJIWCPC-ZDUSSCGKSA-N 321.377 1.725 10 10 DDCE CS(=O)(=O)N1CCC(N2CCC[C@@H](N=[N+]=[N-])CC2)CC1 2155553087 DMFLHXWLYIDUGW-LLVKDONJSA-N 301.416 1.575 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@@H]3CCCCN(C)C3)c2n1 2062118566 KYAIBKUHYCSUAL-LBPRGKRZSA-N 317.393 1.205 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCn2ncnc2C1 2064503282 OLALAXUGEHQGNZ-CYBMUJFWSA-N 314.389 1.985 10 10 DDCE COC(=O)[C@@H](C1CC1)S(=O)(=O)Nc1ccc(O)cc1F 2167063591 KWDQDNXLBNVDFK-LLVKDONJSA-N 303.311 1.225 10 10 DDCE C[C@@H](NS(=O)(=O)c1cc(CO)cs1)c1ccccc1O 2192625719 HSPIJMNXIHAAOP-SECBINFHSA-N 313.400 1.986 10 10 DDCE C[C@H]1CC[C@](COc2nnc(=N)[nH]n2)(NC(=O)OC(C)(C)C)C1 2210649236 GDALWKFMHIXTDY-XPTSAGLGSA-N 324.385 1.141 10 10 DDCE COc1ccc(O)c([C@H](C)NCCS(=O)(=O)C(F)F)c1 2232497871 AQWFJPFUKOFWDV-QMMMGPOBSA-N 309.334 1.689 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2c[nH]c(=N)s2)s1 2256943829 VTPLGMUFNNCGCB-UHFFFAOYSA-N 322.462 1.213 10 10 DDCE O=C1NC(=S)N(C2CC2)C(=O)C1=CNc1cccc(F)c1 2296132890 ONEKBFLGRMLLJU-UHFFFAOYSA-N 305.334 1.527 10 10 DDCE CSc1ncc(CNC(=O)[C@@]23CCCO[C@H]2CNC3)s1 2284493771 FHVIJENICWOGJO-GXFFZTMASA-N 313.448 1.250 10 10 DDCE Cc1ccc(CN=c2[nH]c(=N)n(C)[nH]2)c(O)c1Br 2327797419 WEOXPXCOIVBEJA-UHFFFAOYSA-N 312.171 1.038 10 10 DDCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCC[C@@H]1O 172549264 IBOLJHQBVIYWET-HOTGVXAUSA-N 303.406 1.999 10 10 DDCE CN(c1ccc(CN)cc1F)[C@@H]1CC[C@H](S(C)(=O)=O)C1 2361666651 IBJJZEZOKAQHCJ-NEPJUHHUSA-N 300.399 1.686 10 10 DDCE CCC[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)C(=O)O 185032999 WTVRZFDRXHCDPC-AWEZNQCLSA-N 307.394 1.212 10 10 DDCE O=C(N1CCOCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 194232485 OJUFYYWLZYKGKP-OAHLLOKOSA-N 320.389 1.825 10 10 DDCE C[C@H](N)c1ccc(N2CCO[C@@H](CO)C2)cc1Br 235511522 BZWLQSSQUCRIOB-GXSJLCMTSA-N 315.211 1.666 10 10 DDCE NC(=O)CCCCNCc1cccc(Br)c1O 230032889 WDFAWKONTUAVNR-UHFFFAOYSA-N 301.184 1.900 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nc(C)c(C)[nH]c1=O 808094520 RVYUJOGZYVNGJX-UHFFFAOYSA-N 322.361 1.508 10 10 DDCE CN1CC[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@@H]21 828987869 MVWKXJWJHWBYGD-RNCFNFMXSA-N 318.333 1.066 10 10 DDCE COC(=O)[C@@H]1OCC[C@@H]1NC/C=C\c1ccc(N(C)C)cc1 826957948 LSMJQMOASVFNOE-XETQRACLSA-N 304.390 1.686 10 10 DDCE NC(=O)[C@@H](CNC(=O)c1cc(O)cs1)Cc1ccc(F)cc1 732275666 GVLBTNGYILHZMS-SNVBAGLBSA-N 322.361 1.667 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2Cc3cccnc3C2)cc1 823006766 OGUAAJJIDIRBBJ-UHFFFAOYSA-N 310.401 1.780 10 10 DDCE CCc1cccc(CN2CN(CCN(C)C)C(=O)[C@H]2C)c1O 848919096 FBJJJSGJEPLKQT-CYBMUJFWSA-N 305.422 1.506 10 10 DDCE C[C@@H]1CN(C(=N)NCc2ccc(N3CC=CC3)cc2)CCO1 849009744 HQXIUOYIGIYIRY-CQSZACIVSA-N 300.406 1.808 10 10 DDCE COc1cccc(O)c1CNC[C@H](C)N1C[C@H](C)O[C@H](C)C1 848562320 HRFMOHFMNMHCEA-MELADBBJSA-N 308.422 1.988 10 10 DDCE C[C@@]1([C@@H]2CCCN(C(=O)c3cc(O)cs3)C2)COC(=O)N1 928023176 YSEQRYKUUXRESP-OTYXRUKQSA-N 310.375 1.804 10 10 DDCE CS(=O)(=O)CCCCOC(=O)/C=C\c1ccc(O)c(O)c1 759598883 ZQMNIWDLKZRQIZ-ALCCZGGFSA-N 314.359 1.479 10 10 DDCE COC[C@H](CCNC(=O)NCc1cccc(OC)c1O)OC 854291108 PARIXORUUOMCSI-LBPRGKRZSA-N 312.366 1.252 10 10 DDCE C[C@H](NS(=O)(=O)c1cnn2c1OCCC2)c1ccccc1O 867836349 PJXYHQSLDPZNGD-JTQLQIEISA-N 323.374 1.411 10 10 DDCE COc1cccc([C@@H](C)NC2CN(c3ccncn3)C2)c1O 866495507 DEBWAAGCBHQGHE-LLVKDONJSA-N 300.362 1.730 10 10 DDCE C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2C(=O)/C=C\c1ccc(O)c(O)c1 871112394 YEAPHAICOAPEJC-QNJAUBRXSA-N 303.358 1.871 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=N)NCC(F)F)C2)cc1 887361862 MEPQIIJXCNJPGW-LLVKDONJSA-N 312.364 1.901 10 10 DDCE CC(=O)c1cc(Cl)cc(Cn2cc(C(=O)N(C)C)nn2)c1O 880999682 QEYZNUOBNTZVQZ-UHFFFAOYSA-N 322.752 1.590 10 10 DDCE Cc1cc(COCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)no1 1154026805 OCNVCYWUKSUBFF-SNVBAGLBSA-N 320.345 1.658 10 10 DDCE CCCC(=O)N1CSC[C@@H]1C(=O)NCc1cc(O)ccc1O 1303223289 IXLOSNSEJWINEW-GFCCVEGCSA-N 324.402 1.416 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@H](O)[C@@H]2C)c([N+](=O)[O-])c1 1307119406 FSRXLGHQFMRUAQ-XXBVWFMCSA-N 306.318 1.741 10 10 DDCE CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCCN=[N+]=[N-] 701338916 YBHYMTFQFVTMLO-SNVBAGLBSA-N 303.388 1.007 10 10 DDCE COc1ccc(Br)c(CN(C)CCC(N)=O)c1O 1964559248 XYUWLRYOIDKGHK-UHFFFAOYSA-N 317.183 1.471 10 10 DDCE O=C(C(=O)N1[C@H]2CCC[C@H]1CC2)N1Cc2cccc(O)c2C1 1331971942 JKVNVZGORXUNQE-STQMWFEESA-N 300.358 1.778 10 10 DDCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)c2nc[nH]n2)cc1C 1275517782 ZMSFCBANZRIPBG-NWDGAFQWSA-N 317.393 1.418 10 10 DDCE Cc1cc(C(=O)NCc2ccc(O)nn2)c(C)n1-c1ccccn1 1298297772 HCJFXOVXLRGZBW-UHFFFAOYSA-N 323.356 1.915 10 10 DDCE Cn1cc(C(=O)NCc2ccc(O)cc2O)c(-c2ccncc2)n1 1299569204 BUSYVEKCFDZXCZ-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](c2ncccn2)C1 1472055600 UAPXLHLJVKSGRW-DXTPNHAXSA-N 311.341 1.917 10 10 DDCE C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1nc[nH]n1 1636587311 KJJVDHDUDHTFFU-ZCFIWIBFSA-N 304.331 1.922 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)CCN(C)C)cc1C 1498105621 MYNQFECOQUQUBM-AWEZNQCLSA-N 307.438 1.550 10 10 DDCE Cc1cnc2c(C(=O)NCc3c(O)cccc3F)cnn2c1 1638866850 PPWANBJREYDDPK-UHFFFAOYSA-N 300.293 1.812 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cc(Cn2cccn2)on1 1633515668 LEGMNNIFDOOYLO-UHFFFAOYSA-N 314.301 1.261 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)[C@H]2CCN(C)C2)cc1C 1732982061 BFPOIMYMQRGIJJ-ZBFHGGJFSA-N 319.449 1.550 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2ccnnc2)cc1C 1733013909 XOPXRSKJKGESQP-ZDUSSCGKSA-N 314.389 1.702 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1cccc2c1OCCO2 1640204388 VRVBDIGRGNOJMV-UHFFFAOYSA-N 315.325 1.728 10 10 DDCE Cn1ccnc1[C@@H](NC(=O)c1cccc(O)c1O)C(F)(F)F 1653997588 PJJRCXVFMQDURG-SNVBAGLBSA-N 315.251 1.865 10 10 DDCE CN(CCCN=[N+]=[N-])[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 1912196435 VJIYTWBFOIUFRP-QMMMGPOBSA-N 317.337 1.441 10 10 DDCE CN(C)c1ccc(CNCCC(=O)NCc2ccccn2)cc1 1857859100 XNHQYEDRLIDEOA-UHFFFAOYSA-N 312.417 1.944 10 10 DDCE NCc1cc(F)c(N2C[C@H](O)[C@H](F)C2)cc1Br 1944242294 NYUULBGAIKGSLY-KOLCDFICSA-N 307.138 1.566 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1ccc(O)c(O)c1O 1951381473 AFYYDGWHVRZPEF-QMMMGPOBSA-N 313.306 1.844 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)[C@H]1c1cc(O)nc(O)c1 1952994149 XDAJAKMTWXYTNX-BXKDBHETSA-N 324.333 1.876 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc(O)c(O)c2)C1 1982312015 VHHYCIZITDCSBQ-NSHDSACASA-N 322.361 1.837 10 10 DDCE CCN(CC)S(=O)(=O)CCN1CCC[C@H](N=[N+]=[N-])CC1 2155557082 HDBGPOZLOWQLHF-LBPRGKRZSA-N 303.432 1.823 10 10 DDCE C[C@@]1(CO)COCCN1c1ccc(CN)cc1Br 2049903383 JAMFIDSFEXJPMN-CYBMUJFWSA-N 315.211 1.495 10 10 DDCE O=S1(=O)CC[C@@H]2CN(c3ccc(CO)cc3Cl)C[C@H]21 2088785362 XIDKGXLXBWDIKK-ZWNOBZJWSA-N 301.795 1.456 10 10 DDCE CC[C@@H]1[C@@H](COc2nnc(=N)[nH]n2)CCN1C(=O)OC(C)(C)C 2210644209 BVGUAJIDKGPOBM-NXEZZACHSA-N 324.385 1.094 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H]2[C@@H](O)CO)cc1Br 2258342676 BDLRDJBDSCJYAR-CKLFPEKLSA-N 315.211 1.401 10 10 DDCE Cc1cccnc1NC=C1C(=O)NC(=S)N(CC(C)C)C1=O 2295113197 IUVRWEGZNPEKQF-UHFFFAOYSA-N 318.402 1.585 10 10 DDCE Cc1ccc(CN(C)C(=O)C(=O)O)c(O)c1Br 2307463028 FBYCPCFDAUQUFF-UHFFFAOYSA-N 302.124 1.506 10 10 DDCE Cc1ccc(CN(C)C[C@H](N)C(=O)O)c(O)c1Br 2327792947 PQMNLQACXMJOGR-VIFPVBQESA-N 317.183 1.307 10 10 DDCE C[C@H]1CN(c2ccc(CNS(C)(=O)=O)cc2F)C[C@@H](C)O1 56110063 AFSVKXSTVSYEIR-PHIMTYICSA-N 316.398 1.489 10 10 DDCE CCN(CC)c1ccc(CNC(=O)N2CCNC(=O)CC2)cc1 171646308 FVPUTXUXQVXKLE-UHFFFAOYSA-N 318.421 1.564 10 10 DDCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(C)(CO)CO 129572283 CTLUOXPUGRSLHO-UHFFFAOYSA-N 320.433 1.626 10 10 DDCE CCCN(Cc1ccccc1O)C[C@@H](O)CN1CCCC1=O 76074044 ZNMLMGCHFOOXMN-OAHLLOKOSA-N 306.406 1.588 10 10 DDCE COc1cccc(CN2CCO[C@H](c3nc(C)n[nH]3)C2)c1O 180114669 DMZQKSAOGKZAEZ-ZDUSSCGKSA-N 304.350 1.401 10 10 DDCE CC(C)S(=O)(=O)N(C)Nc1nc2c(s1)CC[C@H]2C(=O)O 2365283731 WHPWKRDZKLSCAQ-SSDOTTSWSA-N 319.408 1.254 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NCc1cc2c(cc1O)OCO2 227561917 SCYTURGSOCZNCC-GHMZBOCLSA-N 322.361 1.876 10 10 DDCE CN(C)c1ccc(CN2CCN(Cc3nccn3C)CC2)cc1 93108032 HCLITGNOMGZPAG-UHFFFAOYSA-N 313.449 1.804 10 10 DDCE COc1cc2c(c(OC)c1OC)CNCCN2CCC(=O)O 527432296 ZNISKGPHLYIDFB-UHFFFAOYSA-N 310.350 1.097 10 10 DDCE CN1CCC[C@@H]1C(=O)NCc1cc(Br)ccc1O 804737487 JHPONQCGBCZUDD-LLVKDONJSA-N 313.195 1.865 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 808502641 NJWLKRKSLBDMTA-ZANVPECISA-N 303.314 1.596 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2C[C@H]3COC[C@@H](C2)O3)c1O 801589006 HHGAZAARASRBRH-BETUJISGSA-N 311.765 1.848 10 10 DDCE COCC[C@@H](COC)N[C@H](C)c1cc(C(=O)OC)ccc1O 810256622 CHWNVLKZSOPFBP-YPMHNXCESA-N 311.378 1.881 10 10 DDCE CCN(C)c1ccc([C@@H](C)NC[C@@]2(CO)COCCN2C)cc1 903283898 YBGBHAVFUNUBDF-CRAIPNDOSA-N 321.465 1.486 10 10 DDCE Cn1nnc(Br)c1C(=O)N1CCC[C@H]1CN=[N+]=[N-] 691687231 BNJGTCSEACUSTD-LURJTMIESA-N 314.147 1.493 10 10 DDCE O=C1[C@@H](NCc2ccc3c(c2)CCO3)CCN1C1CCOCC1 747622018 HCHQTNWDGPZLDJ-INIZCTEOSA-N 316.401 1.491 10 10 DDCE Nc1ccc(CC(=O)NC2CCC(N3CCNCC3)CC2)cc1 842509837 IVTOTBVEGQQRTR-UHFFFAOYSA-N 316.449 1.144 10 10 DDCE CN1CCC2(CC1)CN(Cc1cc3c(cc1O)OCO3)CCO2 843431397 FNWSIKDUWHEGJO-UHFFFAOYSA-N 320.389 1.418 10 10 DDCE CCC(=O)N1CC[C@@H](NC(=O)NCc2c(O)cccc2F)C1 921485817 VJVIPUDNAIRSFC-SNVBAGLBSA-N 309.341 1.341 10 10 DDCE C[C@@H](NC[C@H](O)CS(C)(=O)=O)c1cc(Cl)ccc1O 927027269 STYTWWPQCYGTAQ-SCZZXKLOSA-N 307.799 1.102 10 10 DDCE CCOc1ccc(O)c(CN[C@H]2CC[C@@H](C)S(=O)(=O)C2)c1 850368034 HQOCBJJTHIJIGT-YPMHNXCESA-N 313.419 1.846 10 10 DDCE OC1CCN(c2ccc(CN[C@@H]3CN4CCC[C@H]3C4)cc2)CC1 926725053 NVEVJJVTHBERJF-QFBILLFUSA-N 315.461 1.832 10 10 DDCE C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1c(O)cccc1F)CS2 928707832 CSBFJQMFWLDSLI-ABAIWWIYSA-N 324.377 1.602 10 10 DDCE CO[C@@H]1COCC[C@H]1N(C)Cc1ccc(N2CCOCC2)cc1 931698180 KVTFYHDYCKXUGC-QZTJIDSGSA-N 320.433 1.759 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)O3)C2)cc1 869229380 VQYRPMSLHWVFIJ-BXUZGUMPSA-N 304.346 1.096 10 10 DDCE CCOc1cc(F)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1 864362712 JNUSGYQULQOCGD-UHFFFAOYSA-N 306.293 1.658 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1nc(C)oc1=O 878008502 LCLZQEJRHDRMAN-UHFFFAOYSA-N 318.377 1.259 10 10 DDCE CCCn1nnnc1N1CCN(c2ccc(OCC)cc2)CC1 1332501474 HZMKKIUYXHRIRP-UHFFFAOYSA-N 316.409 1.808 10 10 DDCE CC[C@@](C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C(N)=O 1304169832 BFPPHQLMMUIDJX-CQSZACIVSA-N 308.359 1.696 10 10 DDCE Cc1nc2ccnn2c(C)c1C(=O)NCc1ccc(O)cc1O 1162277853 CNDKTITYWWLLCL-UHFFFAOYSA-N 312.329 1.687 10 10 DDCE C[C@@H]1SCCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 1889198821 PNMDTSBZOLJBHE-GXFFZTMASA-N 300.449 1.972 10 10 DDCE COc1c(C(=O)NCc2c(O)ccc3c2CCCC3)cnn1C 1328616587 OCUYGECUHJGDHS-UHFFFAOYSA-N 315.373 1.943 10 10 DDCE O=C(O)[C@H](Cc1cncs1)NCc1ccc2c(c1)CCO2 1332269456 JZHQRPRJPQIFKB-ZDUSSCGKSA-N 304.371 1.864 10 10 DDCE C[C@H]1CCOCCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 1333730354 QSTAWLVGYFADLD-ZDUSSCGKSA-N 319.405 1.006 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)C2=CCCC2)cc1C 1507187884 HGCYHSVIARANQF-INIZCTEOSA-N 318.417 1.681 10 10 DDCE O=C(NCCCc1nc[nH]n1)c1cc2cc(O)c(O)cc2s1 1448347151 FQTMMZQPRQYQNJ-UHFFFAOYSA-N 318.358 1.793 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCNC2=O)cc1 1628279579 PPVWPYQGPNPKJB-JTQLQIEISA-N 303.322 1.105 10 10 DDCE c1ncn(-c2ccc(CNCc3ccc4c(c3)CCO4)cn2)n1 1620719902 QTZHRBJKULPKFD-UHFFFAOYSA-N 307.357 1.887 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)[C@@H]2CCOC2)cc1C 1567001999 KYHBDSMBJDWZEP-UKRRQHHQSA-N 306.406 1.634 10 10 DDCE C[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1O 1654532344 OVBNFAVZFZAJTH-PWSUYJOCSA-N 306.322 1.209 10 10 DDCE CN(CCS(C)(=O)=O)c1ccc(C=CC(=O)O)cc1F 1911806751 NNBUKCBHFBADOU-UHFFFAOYSA-N 301.339 1.404 10 10 DDCE C=CC(=O)NCCC(=O)NCc1ccc2c(c1)CCCN2C 161096604 HJZOADCHENXUSB-UHFFFAOYSA-N 301.390 1.378 10 10 DDCE CCNCc1ccc(N2CCOC[C@H]2C(=O)NC)c(Cl)c1 160154682 UGZASZKETGZJAD-AWEZNQCLSA-N 311.813 1.401 10 10 DDCE C[C@@H](N)c1ccc(N2CCNC(=O)C23CC3)cc1Br 2132026733 XZCPNMHPMQZQMH-SECBINFHSA-N 324.222 1.938 10 10 DDCE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccc(N)cc1 1984333682 UFBHGVNBHMUSPZ-GJZGRUSLSA-N 321.421 1.993 10 10 DDCE O=C1Nc2cc(N3CCOC(F)(F)C3)c(Cl)cc2[C@H]1O 2152275646 RWJDIXZLVCKPFN-SNVBAGLBSA-N 304.680 1.755 10 10 DDCE Cn1[nH]c(CNCc2c(O)cccc2Br)cc1=O 706804364 JBJAOXGUWBEPAM-UHFFFAOYSA-N 312.167 1.471 10 10 DDCE CSCCS(=O)(=O)Nc1ccnn1-c1ccc(N)cc1 2174045758 IIDJJBWOQXDEOG-UHFFFAOYSA-N 312.420 1.559 10 10 DDCE COc1ccc(O)c([C@H](C)n2ncc(S(C)(=O)=O)c2O)c1 2070260463 ZSGNLCXEPSDRAU-QMMMGPOBSA-N 312.347 1.316 10 10 DDCE CNCc1cc(F)c(N2CC[C@H](S(C)(=O)=O)C2)c(F)c1 2179911996 VUGPWHHDIVTAGR-JTQLQIEISA-N 304.362 1.308 10 10 DDCE COc1ccc(N(CCS(C)(=O)=O)C(C)(C)C)c(N)c1 2170160726 FLTZDSNMEJJGGC-UHFFFAOYSA-N 300.424 1.927 10 10 DDCE CCCS(=O)(=O)C[C@@](C)(O)[C@H](NC)c1ccccc1O 2170548769 RLWMHWBJVKQWJM-ZIAGYGMSSA-N 301.408 1.229 10 10 DDCE O=C1CC2(CN1)CN(c1ccc(CO)c(Br)c1)C2 2056003039 IVZMELLGCXRVAR-UHFFFAOYSA-N 311.179 1.268 10 10 DDCE CCOc1cccc(CNCCN=[S@](C)(=O)CC)c1O 2187308770 CNEITMRLNCEMAL-HXUWFJFHSA-N 300.424 1.998 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@@H](O)[C@@H](O)C2)c(Br)c1 2068407590 SUONMUHHRJQLDK-CKLFPEKLSA-N 316.195 1.434 10 10 DDCE CN(C)c1ccc([C@H](NN)c2nc(Br)cn2C)cc1 2104510776 MHUCZRAXJVVCRW-LBPRGKRZSA-N 324.226 1.801 10 10 DDCE C[C@@H](N)c1ccc(N2CC(=O)N[C@@H]3CC[C@@H]32)c(Br)c1 2112059152 VQTJJTMIZPOVLX-DYLAAIIWSA-N 324.222 1.936 10 10 DDCE NCc1ccc(N2CC(S(=O)(=O)C(F)F)C2)c(F)c1F 2206678994 DHARYCJJBDNNCV-UHFFFAOYSA-N 312.288 1.250 10 10 DDCE Cn1nc(Br)c(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)n1 2219806358 LZZXAYBIMCQBII-ZCFIWIBFSA-N 314.147 1.350 10 10 DDCE Oc1cc(Br)ccc1CN[C@@H]1CCn2cnnc2C1 2228331750 IUWIEFARICJVAQ-LLVKDONJSA-N 323.194 1.851 10 10 DDCE COC(=O)N[C@H](C)CNCc1ccc(Br)cc1O 2261515077 UNPPFIUOVWLBCU-MRVPVSSYSA-N 317.183 1.989 10 10 DDCE COc1ccc(N2CCN(C(=O)Cc3ccon3)CC2)cc1 72796236 HWACDFAZPUVTTO-UHFFFAOYSA-N 301.346 1.575 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCN2CCCC[C@@H]2C1 180716710 OUYHSESPHLLYFQ-HZRUHFOJSA-N 302.374 1.808 10 10 DDCE O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2O)cn1 228425643 LDOBWSFFVHYCIE-UHFFFAOYSA-N 309.303 1.174 10 10 DDCE NS(=O)(=O)Nc1cccc(NCc2cccc(O)c2O)c1 41117518 MDINTLGJDOQPFF-UHFFFAOYSA-N 309.347 1.325 10 10 DDCE COc1ccc2c(c1)CCN2C(=O)c1ccoc1CC(N)=O 352097545 TVIDDLJOEWKURL-UHFFFAOYSA-N 300.314 1.519 10 10 DDCE CN(Cc1cc2c(cc1O)OCO2)[C@H]1CCN2CCO[C@H]1C2 295156172 RPRZVCDNNKSLAE-LRDDRELGSA-N 306.362 1.026 10 10 DDCE CCc1c(C(=O)OCC(=O)C(C)=O)cnn1Cc1ccccc1 808504110 RYHUUJCOZCLRCT-UHFFFAOYSA-N 314.341 1.809 10 10 DDCE C[S@](=O)(=NS(=O)(=O)Cc1ccc(N)cc1)N1CCCC1 2167407407 QHNZDQJELVGBOL-IBGZPJMESA-N 317.436 1.207 10 10 DDCE CC(C)(C)N1CC[C@](F)(C(=O)NCCc2ccc(O)c(O)c2)C1 291287663 MRUGKMXWLGLJIA-QGZVFWFLSA-N 324.396 1.969 10 10 DDCE COc1ccc(N2CCN(CCN[C@H]3CCC[C@@H]3N)CC2)cc1 817893533 GNVQCOZALSZFOP-ROUUACIJSA-N 318.465 1.287 10 10 DDCE COc1ccc(N2CC[C@@H](CN3C(=O)N[C@H](CF)C3=O)C2)cc1 819177479 TYDDPPOFHOIWGQ-BXUZGUMPSA-N 321.352 1.411 10 10 DDCE CN1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)NC1=O 824261355 BKFUFDZACDWTQL-HNNXBMFYSA-N 316.405 1.317 10 10 DDCE Cn1nncc1/C=C1/OCCn2c1nc(Br)c2C=O 901576532 AXSAUKCJQZJUAH-RUDMXATFSA-N 324.138 1.115 10 10 DDCE CC(C)N(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C[C@H](C)O 730422794 DFRGALCGNVCVAK-HNNXBMFYSA-N 321.465 1.802 10 10 DDCE CCN(CC)c1ccc(CNC(=O)C2=NNC(=O)C2)cc1F 732290515 SMCXSJSYOYNFDZ-UHFFFAOYSA-N 306.341 1.164 10 10 DDCE O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCNC1 841940037 XOPHXJIWRIJWCV-SNVBAGLBSA-N 314.183 1.316 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CC(=O)O)c1cc(C(N)=O)ccc1O 687754614 NSCPSULZLSTRBG-JTQLQIEISA-N 324.333 1.532 10 10 DDCE C/C=C\[C@H](O)C(=O)N(CC(=O)OCC)Cc1ccccc1O 911304024 SNAXDOKADYVILL-UMSKNGNOSA-N 307.346 1.221 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCN[C@H]3C)C2)cc1 851640498 WMFBGVNDSYYWBO-XEZPLFJOSA-N 303.406 1.388 10 10 DDCE CCO[C@@H](CS(=O)(=O)NCc1c(O)cccc1F)C1CC1 921451114 KDFKDRNIQOEWSW-AWEZNQCLSA-N 317.382 1.766 10 10 DDCE Oc1ccccc1CNC[C@@H]1CN(Cc2ccncc2)CCO1 858305679 AZIADQYPNDPHSY-QGZVFWFLSA-N 313.401 1.778 10 10 DDCE C[C@]1(C2CCN(C(=O)c3cc(O)cs3)CC2)COC(=O)N1 928160464 RWIOEPMGBIOTJE-CQSZACIVSA-N 310.375 1.804 10 10 DDCE COCc1nc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n(C)n1 853803698 GARHTRCVCRCQLG-LLVKDONJSA-N 317.393 1.519 10 10 DDCE CC(C)C[C@@]1(C(=O)N2Cc3cccc(O)c3C2)CCNC1=O 871206769 DNWGPXDJQWQWDA-KRWDZBQOSA-N 302.374 1.787 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@]34C[C@@H](N)C[C@@H]3C4)C2)cc1 870952312 NIULJOAEAISAFE-NPSOMJIGSA-N 315.417 1.518 10 10 DDCE COC(=O)[C@@H]1CC[C@H](NC(=O)N2Cc3cccc(O)c3C2)C1 1119688010 QVSJTWVMUXXEIV-PWSUYJOCSA-N 304.346 1.759 10 10 DDCE Cc1ccc(O)c(CNS(=O)(=O)CCC[C@@H]2CCOC2)c1 1118877624 IZHNRRNVBSWNMQ-CYBMUJFWSA-N 313.419 1.937 10 10 DDCE Cn1cnc(N)c1S(=O)(=O)Nc1ccc(O)c(Cl)c1 1876542221 LTFOIPQRIXQTBM-UHFFFAOYSA-N 302.743 1.162 10 10 DDCE COC[C@@H](C)CNCc1ccc(N2CCC(C(N)=O)CC2)cc1 895813341 HYUJEJDJTGQILJ-AWEZNQCLSA-N 319.449 1.760 10 10 DDCE COC(=O)[C@H]1[C@H](CNCc2cccc(OC)c2O)C1(F)F 894766889 WSHZRFWRNVIKMB-GXSJLCMTSA-N 301.289 1.545 10 10 DDCE O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCC(F)(F)CC1 1348587643 UGCPCVGPYGGILH-UHFFFAOYSA-N 310.300 1.492 10 10 DDCE CC(C)(C)CN(CCO)C(=O)C(=O)N1Cc2cccc(O)c2C1 1351834324 FBYJWFPMNGJJTJ-UHFFFAOYSA-N 320.389 1.101 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCn3ncnc32)c1 1294937377 OKMQVEZWYIBKQX-JQWIXIFHSA-N 316.361 1.747 10 10 DDCE COC(=O)[C@@]1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1622592143 MPSWBOWEHDKXAS-HNNXBMFYSA-N 318.333 1.874 10 10 DDCE Cc1nc(O)nc(S)c1C(=O)N(C)Cc1ccccc1O 1635658495 XXNHVPDCHOHOGW-UHFFFAOYSA-N 305.359 1.757 10 10 DDCE COc1ccc(CNC(=O)Cn2c([N+](=O)[O-])cnc2C)c(O)c1 1633926826 NBSMBFXXYMUDQZ-UHFFFAOYSA-N 320.305 1.130 10 10 DDCE CCc1nc(C)ncc1C(=O)NCCc1ccc(O)c(O)c1 1566369407 DSXYAUWVFYTQHJ-UHFFFAOYSA-N 301.346 1.731 10 10 DDCE CCOC[C@@H](O)CN(CC(=O)OCC)Cc1ccccc1O 1653969999 PLGVHGMKPBJKPE-AWEZNQCLSA-N 311.378 1.155 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CN2CCC1CC2 1653229316 BVZLCEDZNQCMBL-CTGSTSKSSA-N 302.374 1.569 10 10 DDCE O=C(C[C@H]1NC(=O)c2ccccc21)NCc1cc(O)ccc1O 1593881532 LYSIUGYZPZEJNU-CQSZACIVSA-N 312.325 1.589 10 10 DDCE CS(=O)(=O)N1CC[C@@H](NCc2ccc(Cl)cc2O)C1 1660171524 SJAPWNRDJUUATG-LLVKDONJSA-N 304.799 1.169 10 10 DDCE CC(=O)C(=O)[C@]1(O)CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 1934974737 JMBYHJXGLHECGK-LRDDRELGSA-N 313.394 1.981 10 10 DDCE NCc1ccc(N2CC[C@H](O)[C@@H](F)C2)cc1Br 1941017800 WMUMEJOJCRJLLT-RYUDHWBXSA-N 303.175 1.817 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@H](F)CN 1952204350 JRLYUTQHPPOLRE-QWRGUYRKSA-N 314.357 1.830 10 10 DDCE CC(C)(C)OC(=O)N1CCN[C@@H](c2cc(O)c(O)c(O)c2)C1 1952217856 MFSHQFWIFNFXJF-SNVBAGLBSA-N 310.350 1.685 10 10 DDCE CS(=O)(=O)C[C@H]1C[C@H](NCc2ccc(F)c(F)c2O)C1 1974476922 UVNZJCZCJAVQDQ-CZMCAQCFSA-N 305.346 1.583 10 10 DDCE OCc1ccc(N2CC(n3cncn3)C2)cc1Br 707638314 VKPCUSWGWUQKMI-UHFFFAOYSA-N 309.167 1.594 10 10 DDCE CCN1CC[C@@H](NCc2ccc(Br)cc2O)C1=O 708696166 JWMQIMURBWDKNM-LLVKDONJSA-N 313.195 1.865 10 10 DDCE C[C@H](N)c1ccc(N(C)C2CC(S(C)(=O)=O)C2)c(F)c1 716103206 SZWBVEQIFFHNKX-GCVQQVDUSA-N 300.399 1.857 10 10 DDCE C[C@@H]1CN(C)C[C@@H](C(=O)NCc2c(O)ccc3ccccc23)O1 2062366994 DEXAHCTXJGUKBG-PXAZEXFGSA-N 314.385 1.881 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)CCc3ccccn3)c2n1 2062435460 DDQKDARTJFPHNJ-UHFFFAOYSA-N 311.345 1.453 10 10 DDCE CCn1cc([C@@H](C)NC(=O)c2cnn3c(O)cc(C)nc23)cn1 2062626558 BGSSWKWOCSIISB-SNVBAGLBSA-N 314.349 1.451 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCOC(C)(C)C3)c2n1 2063648299 QNLKXVLEVXADHR-SNVBAGLBSA-N 304.350 1.431 10 10 DDCE CCOC(=O)Cc1cc(O)n2nc(C(F)F)c(C(=O)O)c2n1 2080921092 TXAZEVQJQUNXSJ-UHFFFAOYSA-N 315.232 1.176 10 10 DDCE CN1C[C@@H](N(C)c2ccc(CN)c(Br)c2)CC1=O 2068209512 OVFLNJNKAUFYTE-NSHDSACASA-N 312.211 1.575 10 10 DDCE COCC1(CNCc2ccc(Br)cc2O)COC1 2082964297 OZMRCMQYMAGXOC-UHFFFAOYSA-N 316.195 1.907 10 10 DDCE COc1ccc(Br)c(CN[C@@H]2C[C@@H]2CO)c1O 2214882707 KQMNDASKBWGPLH-GMSGAONNSA-N 302.168 1.634 10 10 DDCE Nc1ccc(CS(=O)(=O)NC2CSCCSC2)cc1 2228760428 RSBJISONFBLUBZ-UHFFFAOYSA-N 318.489 1.537 10 10 DDCE CSc1ncc(CNC(=O)N[C@H]2C[C@H](CC(=O)O)C2)s1 2284544236 NOHWYIGWGINPFK-ZKCHVHJHSA-N 315.420 1.918 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2C[C@@H]3NCCO[C@H]3C2)s1 2284493952 HQBQKLGFSVKFLQ-MIMYLULJSA-N 313.448 1.248 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@@H](C)[C@H]2C(=O)O)s1 2284501771 UVWAFHTZDMAMPM-APPZFPTMSA-N 315.420 1.870 10 10 DDCE C[C@@H](O)c1ccc(N2CC(O)(C(F)(F)CO)C2)c(Cl)c1 2288525207 DULSCAZUGHVWEO-MRVPVSSYSA-N 307.724 1.572 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1 173227183 OZORKTMXIQNWCQ-QGZVFWFLSA-N 314.433 1.908 10 10 DDCE C[C@@H](NCC1CN(S(C)(=O)=O)C1)c1ccc(N(C)C)cc1 187812018 BXMMSPMTLWCMGY-GFCCVEGCSA-N 311.451 1.295 10 10 DDCE NCc1ccc(N2CCN(c3nncs3)CC2)c(Cl)c1 2362025050 JWQZISPNZVXBDK-UHFFFAOYSA-N 309.826 1.977 10 10 DDCE CC(C)N1CC[C@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1 40621113 FAKPRXYSHKHKJK-CQSZACIVSA-N 311.451 1.419 10 10 DDCE CCN[C@@H]1C(=O)Nc2cc(N(CCO)C3CC3)c(Cl)cc21 92751032 ARHCSNFCHZTUHG-AWEZNQCLSA-N 309.797 1.904 10 10 DDCE C[C@H](NC(=O)C(=O)N(C)CCCCO)c1ccc(N(C)C)cc1 807670086 AOHSPKYUURYAGC-ZDUSSCGKSA-N 321.421 1.161 10 10 DDCE CS(=O)(=O)N[C@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1 295233652 DDWMAXAAWIPYLA-VIFPVBQESA-N 322.789 1.308 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 808516981 TWKSYSZNYBZWED-CQSZACIVSA-N 317.341 1.240 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnc2c(cnn2CC(C)C)c1 808510883 MRIMFFJCZDNZMM-UHFFFAOYSA-N 303.318 1.402 10 10 DDCE O=C(Cc1cncnc1)NCc1cc(Br)ccc1O 804738438 PZLSTABEXCBIMZ-UHFFFAOYSA-N 322.162 1.804 10 10 DDCE CCN(CC)CCS(=O)(=O)NCc1cccc(OC)c1O 810050514 FZEFSKKAXHYODN-UHFFFAOYSA-N 316.423 1.162 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(CC2CC2)nn1 828884989 QAHGRUALCHUOHD-SNVBAGLBSA-N 316.361 1.460 10 10 DDCE C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)C1O 827151683 ICDJQGWDKJDZDX-HUUCEWRRSA-N 304.434 1.972 10 10 DDCE C/C=C\[C@@H](O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 912709921 YOALQADEZLKHQH-RXYHWBRQSA-N 304.390 1.201 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)NC/C=C\CN)cc1 846178783 YZHBDPFFIYTHKN-PLNGDYQASA-N 306.410 1.288 10 10 DDCE Cc1cc(N(C)C)ccc1CN(CCN(C)C)CCN(C)C 840948326 GAVGSYNIHFYYPW-UHFFFAOYSA-N 306.498 1.986 10 10 DDCE N=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1CCCO1 849009794 POFXZGUDMPBLEW-INIZCTEOSA-N 300.406 1.856 10 10 DDCE COC[C@H]1C(=O)N[C@H](c2cc(Cl)cc(OC)c2O)N1C 840833179 PGPQJPJSVGYHIT-CABZTGNLSA-N 300.742 1.129 10 10 DDCE C[C@H]1CN([C@@H](C)CNCc2cc([N+](=O)[O-])ccc2O)C[C@@H](C)O1 848561798 CJGUMAAQSFNPQM-RWMBFGLXSA-N 323.393 1.888 10 10 DDCE COC(=O)C1=CC[C@@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 862664252 QHUDKUBIRRFETP-AUXFESMGSA-N 303.314 1.489 10 10 DDCE CC(=O)N1CCN(c2ccc(CN3CCOCC3)cc2)CC1 71702261 MUJRVCDCBRNFDU-UHFFFAOYSA-N 303.406 1.187 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cc(=O)c2ccccc2[nH]1 778920102 VUGCFVUTJWKLDI-UHFFFAOYSA-N 310.309 1.869 10 10 DDCE C[C@H]1C(=O)N(C)CN1C(=O)c1cc2cc(O)c(O)cc2s1 898106132 MJBHMZJFSXVSFS-ZETCQYMHSA-N 306.343 1.573 10 10 DDCE CCOC(=O)[C@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 895842021 COWCOKRUCBMIHE-ZETCQYMHSA-N 309.343 1.994 10 10 DDCE COc1cc(NS(=O)(=O)c2cn(C)c(Cl)n2)ccc1O 797820324 RKEWQEGUTYXUEL-UHFFFAOYSA-N 317.754 1.589 10 10 DDCE C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cc(O)ccc1O 1153879606 REFBJASYCCODKB-MGPLVRAMSA-N 315.325 1.943 10 10 DDCE COc1cccc(CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)c1O 1150543596 QOIYGKYSJROJHB-GFCCVEGCSA-N 309.366 1.100 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CSC2(C)C)cc1 1256885727 ITRQUIZLAQLIDG-ZDUSSCGKSA-N 321.446 1.379 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN1CCN(C2CNC2)CC1 90306251 JXYJGISPBZQQMP-UHFFFAOYSA-N 316.232 1.788 10 10 DDCE CC(C)NCc1ccc(N(C)CCS(C)(=O)=O)c(F)c1 94299204 VKRGXVLOFNIXFX-UHFFFAOYSA-N 302.415 1.805 10 10 DDCE CS(=O)(=O)c1cccc(CNC(=O)c2cccc(O)c2O)c1 1624148139 SOJBBYOGRHXSLQ-UHFFFAOYSA-N 321.354 1.431 10 10 DDCE CC(C)(C(=O)NCc1ccc(O)cc1O)n1cc([N+](=O)[O-])cn1 1557084951 VLTPJIRPHCFQFJ-UHFFFAOYSA-N 320.305 1.254 10 10 DDCE Cc1cc(C=O)c(O)c(C(=O)NCCc2ccc(O)c(O)c2)c1 1622753393 UOIYYPFSGRNMTN-UHFFFAOYSA-N 315.325 1.897 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCC2(CO)CCOCC2)cc1 1632300810 GXFQXFXWKVWNPN-UHFFFAOYSA-N 320.349 1.368 10 10 DDCE COc1coc(C(=O)NCc2cc(Cl)ccc2O)cc1=O 1632224387 ZDQZXAUOUVQVQM-UHFFFAOYSA-N 309.705 1.937 10 10 DDCE c1cc2c(cc1CNCCN1CCC3(C1)OCCO3)CCCO2 1560598224 RUYFMGFXDIGIRC-UHFFFAOYSA-N 318.417 1.550 10 10 DDCE CC[C@@H](F)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 1686724004 ZECMBJYUFFOBAS-LLVKDONJSA-N 323.328 1.443 10 10 DDCE CN(C(=O)c1nnn(-c2ccc(N)cc2)n1)C1CCCCC1 1857878465 CSBQDBKEYANZBG-UHFFFAOYSA-N 300.366 1.649 10 10 DDCE COc1cccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)c1 1857878425 BDWPQUGCWWNFOB-UHFFFAOYSA-N 310.317 1.505 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H](F)CN 1952204348 JRLYUTQHPPOLRE-GHMZBOCLSA-N 314.357 1.830 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)NCc1ccccc1O 1987673725 AZJFYXIJRNOEDV-LBPRGKRZSA-N 324.377 1.142 10 10 DDCE CS(=O)(=O)C[C@H]1CCCN1c1ccc(CN)c(F)c1F 2151270885 AASCLLHUFBXYIZ-SNVBAGLBSA-N 304.362 1.437 10 10 DDCE C[C@H]1NC(=O)CC[C@H]1NCc1cccc(Br)c1O 392952792 LTMBYICWOXHPHH-LDYMZIIASA-N 313.195 1.911 10 10 DDCE CCOC1(C)CCN(C(=O)c2cnn3c(O)cc(C)nc23)CC1 2064241038 MXXLABQQSWPIOV-UHFFFAOYSA-N 318.377 1.775 10 10 DDCE CN(Cc1c(O)cccc1Br)C1(C(=O)O)COC1 2052920681 WMDYOQBBMFYAHH-UHFFFAOYSA-N 316.151 1.440 10 10 DDCE CN(C)CC1(NCc2cccc(Br)c2O)COC1 2056771753 HSZOYUJWIJLKIS-UHFFFAOYSA-N 315.211 1.575 10 10 DDCE NCc1ccc(N2CCN(C3CC3)C(=O)C2)c(Br)c1 2114173350 SKSMJBLFKXZXER-UHFFFAOYSA-N 324.222 1.719 10 10 DDCE Nc1ccc(OCCNC(=O)/C(Cl)=C(/Cl)C(=O)O)cc1 2203872055 DXONBMYBLCWKHE-KTKRTIGZSA-N 319.144 1.538 10 10 DDCE CC1(C)C(=O)NC[C@@H]1NCc1c(O)cccc1Br 2255113282 MFOJMRYLNQENGS-NSHDSACASA-N 313.195 1.769 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)c(Cl)c1 2358209823 YNUPHGFZQUKNFI-OJICRYGUSA-N 302.777 1.500 10 10 DDCE Cc1cccn(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1=O 186443096 CWDBTMPSMIHRFW-GFCCVEGCSA-N 316.357 1.315 10 10 DDCE COCCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 78326721 MXNSZULBTZOMAG-UHFFFAOYSA-N 309.321 1.838 10 10 DDCE C[C@H](O)CN(C)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 221246213 PXRPPBQMVLEZOU-UPONEAKYSA-N 314.183 1.218 10 10 DDCE CO[C@]1(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1=O 43152477 LMUQMEDGLAEQEK-OAHLLOKOSA-N 304.254 1.584 10 10 DDCE biogenic COc1cc(Cl)c(N2C[C@@H](CO)OC[C@H]2C)c(OC)c1 2368303187 PRQBKUNJQPSRGS-KOLCDFICSA-N 301.770 1.943 10 10 DDCE CO[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@H]1CCOC1 611658190 RWMFLZUXXAAIMU-BLLLJJGKSA-N 320.389 1.530 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)NCCCC2CC2)cc1F 803664903 SSRSUFBBKJMDPN-UHFFFAOYSA-N 321.396 1.814 10 10 DDCE CC[C@H](CO)N1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 292760998 IVZXGTKLIGSNDN-QGZVFWFLSA-N 305.466 1.950 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 829258285 FSRXLGHQFMRUAQ-KCELRVLFSA-N 306.318 1.741 10 10 DDCE COc1ccc(O)c(CNC(=O)C[C@H]2CCOC[C@@H]2OC)c1 825838646 DNWCGCSYNOHYKL-ABAIWWIYSA-N 309.362 1.459 10 10 DDCE COc1ccc(N(C)CC(=O)N2CCOC[C@@H]2C2CC2)cc1 844353180 QAVOUJIDMPGUTO-MRXNPFEDSA-N 304.390 1.769 10 10 DDCE C[C@@H](N)[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 843057534 JMRPXFSDHJRQIX-PBHICJAKSA-N 305.422 1.071 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@@H]2CCc3nnn(C)c3C2)c1 927864673 TZRGGVOLGCLFNV-GFCCVEGCSA-N 315.377 1.186 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC3(CCO)CC3)C2)cc1 854297624 PHTFRLOFHHVFJT-ZDUSSCGKSA-N 319.405 1.488 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2(C3CC3)CCC2)c1 925712181 PZTQHEATGDXZBA-UHFFFAOYSA-N 324.402 1.826 10 10 DDCE COc1ccc(N2CCCN(CCc3cn(C)nn3)CC2)cc1 859086947 RIVJSGRHGFYQRF-UHFFFAOYSA-N 315.421 1.579 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)c1ccc(CN)cc1Cl 696833101 CNHFAKIHAYOVHB-STQMWFEESA-N 318.826 1.047 10 10 DDCE CN(C)c1ccc(CN2CCN(c3nccnn3)CC2)cc1F 862437025 NUIOGWADASVGOJ-UHFFFAOYSA-N 316.384 1.399 10 10 DDCE C[C@H]1C[C@@H]1NC(=N)NCc1ccc(N2CCC(CO)CC2)cc1 864454140 HSWFVVKGTVIHKW-GUYCJALGSA-N 316.449 1.918 10 10 DDCE COC(=O)[C@]1(OC)CCN(Cc2c(O)ccc3ccncc23)C1 863297304 SBWVYCWLWBTHJR-KRWDZBQOSA-N 316.357 1.704 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)[C@H]1CCc2nncn2C1 862025776 AQECZXSMPCISKG-ZDUSSCGKSA-N 323.356 1.411 10 10 DDCE CN(CC[S@@](C)=O)Cc1ccc(Br)cc1O 691678557 PDIVFVDHJUZZBQ-MRXNPFEDSA-N 306.225 1.965 10 10 DDCE COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(F)c(N(C)C)cc1F 1329521103 FPIOJEHWXKRSDP-HZMBPMFUSA-N 314.332 1.139 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)CN2CCOCC2)c1 783652575 XCYKBMCCELUZPL-OLZOCXBDSA-N 322.405 1.546 10 10 DDCE COC(=O)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1142461370 SUXWPZJGINMEMZ-SNVBAGLBSA-N 304.306 1.484 10 10 DDCE COC(=O)[C@H]1CC(F)(F)CN1C(=O)Cc1ccc(O)c(O)c1 1147412909 CWBXXRUKCFTQLR-SECBINFHSA-N 315.272 1.050 10 10 DDCE CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(O)cc2O)CC1 1142533607 MZHSUVKYVWIXOI-UHFFFAOYSA-N 322.361 1.771 10 10 DDCE CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1142892113 OLXGLYZNPRGANC-NXEZZACHSA-N 319.365 1.882 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H](C1CC1)[C@H]1CCCOC1 1304414260 DMKZRVMWCZUYDO-SUMWQHHRSA-N 305.374 1.962 10 10 DDCE CCc1nc2c(C(=O)NCc3cc(O)ccc3O)ccnc2[nH]1 1303226305 AIRXPAQXWWKUPZ-UHFFFAOYSA-N 312.329 1.862 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1C[C@@H]1C 1327679829 WWJDULVHNBJIRN-GXTWGEPZSA-N 304.390 1.903 10 10 DDCE C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@@H](C)C2)cc1Cl 706915006 XKJAAPIDCYBQHS-UWVGGRQHSA-N 302.827 1.983 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCO[C@@]2(CCSC2)C1 1445857809 ZSRWRQMFIVPOSR-LRDDRELGSA-N 323.414 1.811 10 10 DDCE Cc1cc(C)n2nc(C(=O)NCc3ccc(O)cc3O)nc2n1 1469158978 IKKUQJOGHWUIFU-UHFFFAOYSA-N 313.317 1.082 10 10 DDCE Cc1nn(CC(=O)NCc2cc(O)ccc2O)c2ncccc12 1471662218 UFPLUQGFDQUBSO-UHFFFAOYSA-N 312.329 1.467 10 10 DDCE C[S@@](=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 1629538160 FBJQMCACJKCGJG-JOCHJYFZSA-N 319.382 1.694 10 10 DDCE C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1626056387 BCHPDUYVCJKJEK-GZMMTYOYSA-N 303.322 1.103 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@H](O)c1cccc([N+](=O)[O-])c1 1644753503 AYBVEHOHVCHHOS-CQSZACIVSA-N 318.285 1.356 10 10 DDCE O=C(Cc1ccc2c(c1)NC(=O)C2)NCc1c(O)cccc1O 1652626186 RHHQQLDPYMDRLH-UHFFFAOYSA-N 312.325 1.451 10 10 DDCE CCn1ncc(CNC(=O)c2ccc(N=NC(N)=O)cc2)n1 1585484862 FBACRMOOGOVLFN-UHFFFAOYSA-N 301.310 1.390 10 10 DDCE C[C@H](N)c1ccc(N2CCSC[C@H]2S(C)(=O)=O)cc1O 251530826 MTEFPLWPIHFESJ-TVQRCGJNSA-N 316.448 1.336 10 10 DDCE CS(=O)(=O)C1CN(c2ccc(CO)c(Br)c2)C1 1946911197 MWZYXMFGTJSSEG-UHFFFAOYSA-N 320.208 1.175 10 10 DDCE CC(=O)C(=O)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@H]2CCCC[C@@H]21 1975310178 AIUOTJDOIGTVBJ-MKBNYLNASA-N 311.378 1.685 10 10 DDCE CC(C)(C)OC(=O)N1CC(CNc2ccc(N)cc2)(C(N)=O)C1 1977698522 GDTPNJQWLISXBH-UHFFFAOYSA-N 320.393 1.403 10 10 DDCE CC(C)NCc1ccc(N(C)CC(CO)CO)cc1Cl 2150418731 LNQUOVKKNDDSCD-UHFFFAOYSA-N 300.830 1.875 10 10 DDCE NCc1ccc(N2C[C@H](F)[C@@H](CO)C2)cc1Br 2008020753 WJURIKLTXMOVDD-SKDRFNHKSA-N 303.175 1.674 10 10 DDCE Nc1ncc(S(=O)(=O)Nc2ccc(O)cc2Cl)s1 722253826 BHEWRDHESQMUEX-UHFFFAOYSA-N 305.768 1.885 10 10 DDCE NCc1cc(F)c(N2CC[C@H]3OCCO[C@H]3C2)cc1Cl 2177389493 USCBLGWGBHYULW-KGLIPLIRSA-N 300.761 1.932 10 10 DDCE Cn1nc(Br)c(CNCc2ccc3c(c2)CCO3)n1 2111450957 CDVXNRVKZNNNDF-UHFFFAOYSA-N 323.194 1.802 10 10 DDCE O=C(N=c1[nH]c(Cl)ncc1Cl)c1cc(O)nc(O)c1 2227224857 IXQUTJVDVSYTEH-UHFFFAOYSA-N 301.089 1.264 10 10 DDCE CO[C@@H]1[C@@H](O)C[C@@H]1NCc1cc(Br)ccc1O 2249809911 KKSLNWBPHXMACR-DLOVCJGASA-N 302.168 1.393 10 10 DDCE Oc1cccc(Br)c1CN[C@H]1CO[C@@H]2COC[C@@H]21 2308845518 DFJKLZZVFLMUAM-SUZMYJTESA-N 314.179 1.658 10 10 DDCE CCO[C@@H]1C[C@@](O)(CNCc2cc([N+](=O)[O-])ccc2O)C1(C)C 188911090 JPCNVHQLVOSULX-GDBMZVCRSA-N 324.377 1.956 10 10 DDCE CNS(=O)(=O)c1ccccc1NCc1ccc(O)cc1O 37158557 GDDIFDHAIMEBKB-UHFFFAOYSA-N 308.359 1.618 10 10 DDCE CN(Nc1nc([C@H]2[C@@H](C(=O)O)C2(C)C)cs1)S(C)(=O)=O 2365283989 ZEHLGYMZAPVJCE-YUMQZZPRSA-N 319.408 1.186 10 10 DDCE CCn1cnnc1CNC(=O)c1c(C)oc(-n2cccc2)c1C#N 47020629 WISNMZXBVYRENL-UHFFFAOYSA-N 324.344 1.792 10 10 DDCE COCCOCCN(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-] 323397830 MLQMBRWVFIBMSX-GQCTYLIASA-N 324.333 1.792 10 10 DDCE C[C@H](Cn1cccn1)NCc1ccc(N2CCOCC2)cc1 237587616 KVMCIJYRQGKGHY-OAHLLOKOSA-N 300.406 1.898 10 10 DDCE COCCN(C)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 92775453 CCWXUNHXJAHZAG-LLVKDONJSA-N 314.183 1.484 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(Cl)cc2)n1 808529226 ARKFHVWCQTXNLV-UHFFFAOYSA-N 307.693 1.236 10 10 DDCE COc1ccc(CNC(=O)N=c2cc[nH]cc2N(C)C)c(O)c1 801924155 KKCWUFDJICDXCM-UHFFFAOYSA-N 316.361 1.605 10 10 DDCE CCOc1cccc(CN2CC[C@H](Cn3ccnn3)C2)c1O 826844939 CHTHKBIHHGSCNF-ZDUSSCGKSA-N 302.378 1.905 10 10 DDCE C[C@H](NC[C@@H]1CCCCN1CCO)c1cc([N+](=O)[O-])ccc1O 834850626 OFESADSFHVQBOX-JSGCOSHPSA-N 323.393 1.798 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCC(=O)N(C)C2)c1 738502565 GYPXRABBFDGBHI-QWRGUYRKSA-N 321.377 1.382 10 10 DDCE Cc1[nH]nc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)c1C 832274791 YNRCSOWQFDTNTI-CQSZACIVSA-N 301.394 1.522 10 10 DDCE C[C@H](N)[C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 841706809 LGHLONSSGSGFCK-QWHCGFSZSA-N 322.478 1.775 10 10 DDCE O=C(NCCCNCc1cccnc1)NCc1ccccc1O 841934759 ACHQWYPAEKKBGZ-UHFFFAOYSA-N 314.389 1.766 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)N[C@H](CO)c2ccnn2C)c1 858434273 DKAVGFYGSOJWFB-GXFFZTMASA-N 319.361 1.297 10 10 DDCE COC(=O)C[C@@H](CNC(=O)c1ccc(C)c(O)c1O)C1CC1 855911495 YLBJOSJHXLXUNY-NSHDSACASA-N 307.346 1.725 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)n3cccn3)C2)cc1 855231229 UQIPEGIHUPCSPF-KGLIPLIRSA-N 314.389 1.848 10 10 DDCE C[C@H]1COCC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 767688399 XDJIFTDTRZCMAU-WMLDXEAASA-N 318.417 1.812 10 10 DDCE CN(CC1CC1)S(=O)(=O)Nc1ccc(O)cc1C(=O)O 776433003 ITUBQUUYOCGJIL-UHFFFAOYSA-N 300.336 1.089 10 10 DDCE CCOc1cccc(CN[C@@H](C(=O)OC)c2ccn(C)n2)c1O 787438691 USHSWWJVSNIUFV-CQSZACIVSA-N 319.361 1.528 10 10 DDCE Cc1ccc(C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c(O)c1O 780953283 VNFRJWRAGJJRCX-UHFFFAOYSA-N 320.389 1.878 10 10 DDCE C[C@]1(C(N)=O)CCN(Cc2ccc(N3CCOCC3)cc2)C1 793388773 GEIZVKVXJPQDOO-KRWDZBQOSA-N 303.406 1.221 10 10 DDCE OCCSCCNCc1c(O)cccc1Br 1899604190 JQAHLADPMAJBOQ-UHFFFAOYSA-N 306.225 1.970 10 10 DDCE O=C(CNC(=O)c1ccc(O)c(O)c1)NCc1ccccc1 1962353584 UAJNKXNAHKAJCO-UHFFFAOYSA-N 300.314 1.144 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC(C)(F)C1 1324900424 ZWVLFFAYYGRCTI-UHFFFAOYSA-N 307.369 1.248 10 10 DDCE COc1ccc(N(C)CCN(C)CCc2cn(C)nn2)cc1 1331397312 SONLBMGMTPTCGX-UHFFFAOYSA-N 303.410 1.434 10 10 DDCE C[C@H](NC(=O)NC[C@@H](C)N1CCN(C)CC1)c1ccccc1O 1346995904 DHHPKKFYWACAHD-KGLIPLIRSA-N 320.437 1.388 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC1(CO)CC2(CCC2)C1 1618192095 RJNWLLPZSMVGAG-UHFFFAOYSA-N 305.374 1.699 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@H](O)Cc1ccccc1Cl 1558175195 HLMTXFUPFUJDQS-OAHLLOKOSA-N 321.760 1.971 10 10 DDCE c1cncc(Cn2cc(CNCc3ccc4c(c3)CCO4)nn2)c1 1620760771 RMSNEGKMUZSWNB-UHFFFAOYSA-N 321.384 1.946 10 10 DDCE Cn1nc(C(=O)NCc2c(O)ccc3ccccc23)ccc1=O 1639384484 LVPVWRIFRAUPHG-UHFFFAOYSA-N 309.325 1.569 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1cn(-c2ccccc2)nn1 1566275097 FWXISXTVBMCUAM-UHFFFAOYSA-N 324.340 1.537 10 10 DDCE C[C@H](NC(=O)N(C)Cc1ccccc1O)c1nnc(O)n1C 1685308654 LPZKAOZXDWGABL-VIFPVBQESA-N 305.338 1.129 10 10 DDCE Cc1ccc(O)c(CNCC(=O)N2CCCC[C@H]2CCO)c1 1857867799 CEIVCEHCSWAVKK-HNNXBMFYSA-N 306.406 1.554 10 10 DDCE CNCc1ccc(N2CCNC(=O)C(F)(F)C2)c(Cl)c1 2146742755 UYJKFIYRIBOROE-UHFFFAOYSA-N 303.740 1.631 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc([C@@]2(N)C[C@@H]2C(=O)O)c(O)c1 1952972513 OGMMKJFYUDKSIE-BMIGLBTASA-N 308.334 1.998 10 10 DDCE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CC[C@H](N=[N+]=[N-])C2)C1 1985094338 NLZMHFVHQBASIE-JTQLQIEISA-N 324.385 1.107 10 10 DDCE C[C@H](NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1ccccc1O 1989686960 ORHAUDYPDIAQJV-JQWIXIFHSA-N 324.377 1.455 10 10 DDCE CN(c1nccs1)S(=O)(=O)CCOc1ccc(N)cc1 2145967877 YKWLCFNTKCZKAZ-UHFFFAOYSA-N 313.404 1.570 10 10 DDCE Oc1ccc(Br)cc1CN1C[C@@H]2OCCO[C@H]2C1 2032422936 CWTIFFPEOUXYMB-STQMWFEESA-N 314.179 1.754 10 10 DDCE CO[C@H]1COC[C@@H]1CNCc1c(O)cccc1Br 2036604596 GCIDDGVQQRDSRQ-ZANVPECISA-N 316.195 1.906 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N[C@H]2C[C@H](CF)C2)cc1 2162893285 JEVQNTMQBOXZRU-UMSPYCQHSA-N 302.371 1.315 10 10 DDCE C[C@H]1[C@@H](C)N(c2ccc([C@@H](C)N)cc2F)CCS1(=O)=O 2170278530 TYWDYAGXJSVTNI-MXWKQRLJSA-N 300.399 1.857 10 10 DDCE CCS(=O)(=O)CCN(C)c1c(F)cc([C@H](C)N)cc1F 2194691619 RRUSAYCSENIMDN-VIFPVBQESA-N 306.378 1.855 10 10 DDCE CN(C)CC1(NCc2cc(Br)ccc2O)COC1 2056773161 ZNJAVAPGCPNMTG-UHFFFAOYSA-N 315.211 1.575 10 10 DDCE CSc1ncc(CNCC[C@@H]2CCS(=O)(=O)C2)s1 2208598619 PXZNSFQQKHVBJX-SECBINFHSA-N 306.478 1.779 10 10 DDCE O=C(Nc1ncncc1Br)c1ccc(O)c(O)c1 2222488095 PWTPLUFBTSHSFH-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE COC(=O)C1(CS(=O)(=O)N2CCC[C@@H]2CN=[N+]=[N-])CC1 2290098604 FSJADEQMYIVXIK-SECBINFHSA-N 302.356 1.044 10 10 DDCE COc1cc(S(=O)(=O)N[C@H](C)c2ccccc2O)sn1 1213415576 VDOOJVVKIILIMT-MRVPVSSYSA-N 314.388 1.897 10 10 DDCE CN1CCN(C(=O)C=Cc2ccc(O)c(O)c2)C(C)(C)C1=O 2308002188 DNLGRPUZYKMJGY-UHFFFAOYSA-N 304.346 1.190 10 10 DDCE CCN(Cc1cc(Br)ccc1O)C[C@H](O)COC 76118549 BBVYMOKYHSQBGC-LBPRGKRZSA-N 318.211 1.984 10 10 DDCE CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 41365148 FJFTXXGRKGTBSK-KRWDZBQOSA-N 315.417 1.914 10 10 DDCE Cc1cc(I)c(O)c([C@H]2COCCN2)c1 238546026 OMHWNUAKXJDKPL-SNVBAGLBSA-N 319.142 1.966 10 10 DDCE Cn1c(-c2ccc(O)c(O)c2O)csc1=Nc1ccn[nH]1 254304588 LFCMTERWWCYENV-UHFFFAOYSA-N 304.331 1.826 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 808523384 GKSQVZBLQKDFRL-UHFFFAOYSA-N 319.191 1.929 10 10 DDCE COc1ccc(C(=O)CCCC(=O)OCC(=O)C(C)=O)cc1 808506719 QPNNWSTWBAIYJW-UHFFFAOYSA-N 306.314 1.750 10 10 DDCE CCN1CCN(c2ccc(C(=O)OCC(=O)C(C)=O)cc2)CC1 808520642 VYJBUWOWBSIEMB-UHFFFAOYSA-N 318.373 1.143 10 10 DDCE COc1cc(Cl)cc(CNCC[C@H]2COC[C@H]2O)c1O 2167623142 YRJVNWBSLXNOEZ-JOYOIKCWSA-N 301.770 1.541 10 10 DDCE COc1ccc(N(CC2CC2)C[C@H](O)CN2CCOCC2)cc1 831583228 RKIJMIIDSLBZPY-QGZVFWFLSA-N 320.433 1.605 10 10 DDCE COC1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 843532171 VOCYISGOFAOBDQ-UHFFFAOYSA-N 308.353 1.458 10 10 DDCE CO[C@@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCSC1 928506345 QVLWLMHFXSERSK-SJDLMVEWSA-N 309.387 1.749 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3c(C)cnn3C)C2)cc1 855227620 YWWUSUQQVXULRW-ZDUSSCGKSA-N 314.389 1.746 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N(C)[C@@H](C)CCO)C2)cc1 854295777 CAIXEQNKNSIRMW-UONOGXRCSA-N 321.421 1.686 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1c(O)cc(C)cc1Cl 850360420 FJSDQMCYYJDGEE-AAEUAGOBSA-N 319.810 1.256 10 10 DDCE COc1ccc(N2CC[C@@H](NC3CCN(C(C)=O)CC3)C2)cc1 850345489 BULUEDZHEHAUHM-MRXNPFEDSA-N 317.433 1.874 10 10 DDCE Cc1ccc(O)c(CNC(=O)Nc2nccc(N(C)C)n2)c1 860886787 MJBABHLLGOGSIQ-UHFFFAOYSA-N 301.350 1.878 10 10 DDCE CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C)cnc1N 766049996 CRNNAWMEUDMVJG-UHFFFAOYSA-N 321.358 1.681 10 10 DDCE COc1ccc(O)c(CNC(=O)c2nc([C@@H]3C[C@@H]3C)no2)c1 865937780 ZEDWTPPGDBSYSY-GZMMTYOYSA-N 303.318 1.837 10 10 DDCE COc1ccc(N2CCN(C[C@@H]3CC4(CC4)C(=O)O3)CC2)cc1 763650407 GEOLXRVDFVXQMP-INIZCTEOSA-N 316.401 1.913 10 10 DDCE CS(=O)(=O)[C@H]1C[C@H](CNCc2ccc(Cl)cc2O)C1 1877126804 HTZSCJIKNABKOV-OTCDBFHCSA-N 303.811 1.958 10 10 DDCE COC[C@](C)(O)CNCc1cc(C)cc(Br)c1O 781628834 BNLBYELUKUTAIK-CYBMUJFWSA-N 318.211 1.950 10 10 DDCE Cc1ncccc1/C=C/C(=O)N1CCCc2ccc(C(N)=O)nc21 1130848606 LIUQIFHOZKAZGB-VQHVLOKHSA-N 322.368 1.877 10 10 DDCE CCN(Cc1ccc(N2CCOCC2)cc1)Cc1cn(C)nn1 781931017 RRIHPKKUXBYOAW-UHFFFAOYSA-N 315.421 1.674 10 10 DDCE C[C@@H]1CN(C(=O)c2cn(C)nc2-c2cccnc2)c2ccnn2C1 893892918 QUZXABSCNDYNTQ-GFCCVEGCSA-N 322.372 1.975 10 10 DDCE CC(C)(C)OC(=O)NCCONC(=O)Cc1ccc(N)cc1 1959374189 AJDJSWLTCKVJBE-UHFFFAOYSA-N 309.366 1.384 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](C1CC1)[C@@H]1CCCOC1 1304414258 DMKZRVMWCZUYDO-DYVFJYSZSA-N 305.374 1.962 10 10 DDCE Cc1nc([C@](C)(NC(=O)Cc2ccc(O)c(O)c2)C2CC2)no1 1159594615 NOTIEONQJCAHMI-MRXNPFEDSA-N 317.345 1.773 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cc2n(n1)CCCC2=O 1176754451 DITXWZUUUPWNKK-UHFFFAOYSA-N 301.302 1.201 10 10 DDCE O=[N+]([O-])c1cc(NS(=O)(=O)C[C@H]2CCCO2)ccc1O 274757984 GJDKFLXUVCZLKF-SECBINFHSA-N 302.308 1.221 10 10 DDCE C/C=C\[C@H](O)C(=O)N1CCN(c2ccc(OCC)cc2)CC1 1339085410 CTAODVKQOOBNOT-IMMZDGJCSA-N 304.390 1.671 10 10 DDCE CC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1339757053 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10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]4C3)c(Br)cc21 379555666 GYLYIOMVPIMWPP-KJNMHVQDSA-N 308.179 1.857 10 10 DDCE NC(=O)C[C@@H]1CCN(c2ccc(CO)c(Br)c2)C1 690711535 FHKSXKQJJYFBDE-VIFPVBQESA-N 313.195 1.643 10 10 DDCE CC(C)O[C@H]1CS(=O)(=O)C[C@H]1N1CCC[C@H]1CN=[N+]=[N-] 2179601429 CCYGFIRUZQGISC-TUAOUCFPSA-N 302.400 1.352 10 10 DDCE CCOc1cccc(CN[C@@H](C)[C@H](C)S(C)(=O)=O)c1O 2170597345 ODVZHPRROVILFG-QWRGUYRKSA-N 301.408 1.702 10 10 DDCE NC(=S)CN(CC(F)(F)F)C(=O)c1cccc(O)c1O 2170575056 JNOCJKWGDYJSBJ-UHFFFAOYSA-N 308.281 1.388 10 10 DDCE CC1(C)[C@H](O)[C@H](O)CN1c1ccc(CO)c(Br)c1 2060876627 WTGNXVNOXXEQHQ-VXGBXAGGSA-N 316.195 1.262 10 10 DDCE CS(=O)(=O)c1cscc1C(=O)N1CC[C@H](CN=[N+]=[N-])C1 2288496950 NIRIPQCLGXKOOZ-MRVPVSSYSA-N 314.392 1.924 10 10 DDCE CCn1nc(Br)c(CN2CC[C@H](N=[N+]=[N-])C2)n1 2306944862 IMFAISPBILTOCY-ZETCQYMHSA-N 300.164 1.945 10 10 DDCE O=S1(=O)C[C@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@H]21 2336548164 GZVMIZRPIQJHCY-LDYMZIIASA-N 322.213 1.928 10 10 DDCE 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DDCE NCCCCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 852868415 DKMUNXRUFQCIPA-UHFFFAOYSA-N 305.422 1.393 10 10 DDCE C[C@@H](N[C@H]1CCNC1=O)c1cc(Br)c(F)cc1O 850481600 MLXZXBWFEWSLOC-LDWIPMOCSA-N 317.158 1.833 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cc3nnc(C)o3)C2)cc1 855225844 MPXFFYRJOHLHJU-LBPRGKRZSA-N 316.361 1.324 10 10 DDCE Oc1cccc(Br)c1CNC[C@H](O)[C@H]1CCCO1 858227000 SIKHEPHGMLLFMG-QWHCGFSZSA-N 316.195 1.784 10 10 DDCE COc1ccc(O)c([C@H](C)NC[C@]2(OCCO)CCOC2)c1 850510120 VFCKITIKMQOCRX-BLLLJJGKSA-N 311.378 1.219 10 10 DDCE CN(C)C(=O)C1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 768442983 UZIWBPDHMFWEOY-OAHLLOKOSA-N 320.389 1.118 10 10 DDCE CCc1cccc(CN[C@H](CO)CNC(=O)OC(C)(C)C)c1O 1876257999 ZTLVVXLSXACHSQ-AWEZNQCLSA-N 324.421 1.930 10 10 DDCE CS(=O)(=O)[C@H]1C[C@H](CNCc2c(O)cccc2Cl)C1 1877118004 ZFWCVCJOKTWCBE-MGCOHNPYSA-N 303.811 1.958 10 10 DDCE Oc1nnc2n1CCN(Cc1ccc(N3CCCCC3)cc1)C2 776519903 DNNAPTPQWQQTRZ-UHFFFAOYSA-N 313.405 1.990 10 10 DDCE COCCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cn1 1135957374 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CSc1ncc(CNC(=O)N2CC3(C[C@H]3C(=O)O)C2)s1 2284504689 OINZUZNPIMDWSK-QMMMGPOBSA-N 313.404 1.481 10 10 DDCE CN1C(=O)NC(=O)C(=CNc2ccc(Br)cc2)C1=O 2297533910 NYQBYCYHROQQJO-UHFFFAOYSA-N 324.134 1.453 10 10 DDCE CONCC(=O)N(C)Cc1ccc(C)c(Br)c1O 2327797505 XNNUVYRSPRXYNG-UHFFFAOYSA-N 317.183 1.573 10 10 DDCE CCOc1ccc(O)c(CN(C)CC(=O)N2CCOCC2)c1 179677111 DLQKHYPADBQIAW-UHFFFAOYSA-N 308.378 1.082 10 10 DDCE CCNCc1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)c(Cl)c1 2358206379 DNNPCBYJSNZFMW-MCIONIFRSA-N 302.777 1.329 10 10 DDCE CN(c1ccc(CNC(=O)CC(N)=O)cc1)C1CCCCC1 265842075 SFRORCSUIURQNU-UHFFFAOYSA-N 303.406 1.947 10 10 DDCE COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc2c(cc1O)OCO2 276082242 BNBLQHHRIXARKA-PKWAYOAASA-N 319.357 1.894 10 10 DDCE C[C@@H]1C[C@@H](S(=O)(=O)NCc2ccc(N(C)C)cc2)CCO1 295679433 CCMUTIDWYPNCBB-DOMZBBRYSA-N 312.435 1.740 10 10 DDCE CCOc1cccc(CN2CCC(N3CC[C@H](O)C3)CC2)c1O 827700809 XODIEYQNZIKXQC-INIZCTEOSA-N 320.433 1.822 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@](O)(C(F)(F)F)C1 588407130 CQYYMJDPIZDWSM-QDOCKXBDSA-N 317.263 1.637 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCO[C@H]1C1CC1 907273553 MDAXZZYXVXXXRQ-ZXIHIIQKSA-N 305.374 1.960 10 10 DDCE CO[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)[C@H]1CCOC1 831923956 AKRQGKZUTMJVEJ-WBIUFABUSA-N 309.362 1.197 10 10 DDCE COCCc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)n(C)n1 588408338 NOASSYQQUPCESC-XQRVVYSFSA-N 317.345 1.672 10 10 DDCE O=C(NC12CCN(CC1)C2)c1cc2cc(O)c(O)cc2s1 913636401 FLVNSLOURKWBJD-UHFFFAOYSA-N 304.371 1.891 10 10 DDCE COc1cccc(CNS(=O)(=O)[C@H]2CCO[C@@H](C)C2)c1O 849377471 YQUBZRJTZWVJNB-JQWIXIFHSA-N 315.391 1.388 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3nnn(C)c3C)C2)cc1 855231688 NIPZSBOESUMGCU-LBPRGKRZSA-N 315.377 1.141 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(=O)N(C)CC1 853749595 WMUDIZFGUIXHNZ-UHFFFAOYSA-N 318.421 1.435 10 10 DDCE O=S(=O)(C[C@H]1CCCO1)NNc1nc2cccnc2s1 857224992 CTHHAPVPQWJUJD-MRVPVSSYSA-N 314.392 1.117 10 10 DDCE COc1ccc(N2CCN(C(=O)CC3(N)CC3)CC2)cc1F 852871878 DBXKKCXHUOGIHA-UHFFFAOYSA-N 307.369 1.364 10 10 DDCE Cc1cc(Cl)cc(CNCCC2CS(=O)(=O)C2)c1O 787417185 LEJGVMGIBUQQBT-UHFFFAOYSA-N 303.811 1.878 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCO[C@@]2(CCOC2)C1 1137889082 PGDFUBSZKNUZRH-WBMJQRKESA-N 307.346 1.095 10 10 DDCE COc1ccc(N2CCN(C(=O)COC(F)F)CC2)cc1 794612827 GPTNNDMEAVUSKS-UHFFFAOYSA-N 300.305 1.583 10 10 DDCE CCOC(=O)c1n[nH]c([C@H](C)NC(=O)c2cc(O)cs2)n1 1146864586 FZOZUJSNNWTDRK-LURJTMIESA-N 310.335 1.240 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)/C=C/C(=O)N(C)C)cc1 1300279927 LBWJDOMJZWEVRU-ZHACJKMWSA-N 319.405 1.234 10 10 DDCE CO[C@H](CO)CNCc1cc(Cl)cc(Br)c1O 1963411644 VRAYLPAUCRFMDH-VIFPVBQESA-N 324.602 1.905 10 10 DDCE COc1nccc(C(=O)Nc2c(Cl)ccc3nonc23)n1 1271357656 YMXOWWOMRKHPOO-UHFFFAOYSA-N 305.681 1.927 10 10 DDCE O=C(C[C@H]1COc2ccccc2O1)NCc1cccc(O)c1O 1558161239 JQMPTWPPOLKNCO-LBPRGKRZSA-N 315.325 1.944 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)Cc2cnoc2)cc1C 1715945725 WEVWLHNPRLPVCN-CYBMUJFWSA-N 317.389 1.829 10 10 DDCE CC(=O)NCCC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1718413248 YBZGPAGDVGSMJG-SNVBAGLBSA-N 319.365 1.884 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(O[C@@H]2CCOC2)CC1 1626170671 HDFACCBEYYKYCX-CQSZACIVSA-N 321.373 1.437 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCC(=O)NC1 1633819513 QRIIEEBMPNALSE-CMPLNLGQSA-N 306.362 1.061 10 10 DDCE COc1ccc(CNC(=O)c2ccc(CO)c(F)c2)c(O)c1 1635042765 RYLVPMLHVGKFIW-UHFFFAOYSA-N 305.305 1.962 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)c1cc(C(N)=O)ncn1 1651339454 XBXCLCVRNGDHAB-UHFFFAOYSA-N 311.389 1.812 10 10 DDCE CS(=O)(=O)c1sccc1[C@H](NCCCN=[N+]=[N-])C(=O)O 1912210727 NACTZIMKDZWGPE-QMMMGPOBSA-N 318.380 1.567 10 10 DDCE COCC(=O)NC[C@H]1C[C@@H](NCc2ccc(OC)c(C)c2)C1 1688898194 NKKDDJUNUNNGRH-GASCZTMLSA-N 306.406 1.634 10 10 DDCE COc1cccc(CNC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1O 158108029 IESSVBZSPIVCEF-JTQLQIEISA-N 318.377 1.863 10 10 DDCE CCOC(=O)[C@@H](N)c1cc(I)ccc1O 1951385594 NYKPZDCJOOOLKE-VIFPVBQESA-N 321.114 1.560 10 10 DDCE O=C(O)C(F)(F)C1(O)CN(Cc2c(O)cccc2Cl)C1 1974209901 JHTZORFLQOOXJL-UHFFFAOYSA-N 307.680 1.312 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)Nc1ccc(N)cc1 1985854709 UWLDRYIGZCNFFD-GFCCVEGCSA-N 324.381 1.276 10 10 DDCE C[C@H]1C[S@@](=O)CCN1c1ccc(CO)c(Br)c1 2004529380 HQUPYJMLVYECKH-XYZCENFISA-N 318.236 1.899 10 10 DDCE CS(=O)(=O)c1sccc1[C@H](O)[C@@H](N)c1ccccc1O 2150483303 XVRGGZBFFITVII-RYUDHWBXSA-N 313.400 1.591 10 10 DDCE NCc1ccc(N2C[C@@H]3OCCO[C@@H]3C2)cc1Br 2032408031 HPMZOVKSOZCPSA-BETUJISGSA-N 313.195 1.512 10 10 DDCE CCNCc1ccc(OC)c(C[S@](=O)CC[S@@](C)=O)c1 319389385 AEYPGIBFYNLQND-WOJBJXKFSA-N 317.476 1.432 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC2CC(CF)C2)cc1 2162901056 JEVQNTMQBOXZRU-UHFFFAOYSA-N 302.371 1.315 10 10 DDCE C[C@@H]1CN(c2cc(Cl)c(CN)cc2F)C[C@@H](C)S1(=O)=O 2177382300 YUSJPAAFLVGLQY-RKDXNWHRSA-N 320.817 1.950 10 10 DDCE CN(C)C[C@@H](O)CNCc1ccc(Br)cc1O 717308826 PXCMLXMPKLSXCD-NSHDSACASA-N 303.200 1.167 10 10 DDCE CCS(=O)(=O)Nc1ccc(NS(=O)(=O)C[C@@H](C)F)cc1 2177549934 GBSMPELSNJLAAU-SECBINFHSA-N 324.399 1.548 10 10 DDCE CP(C)(=O)[C@H]1CCN(S(=O)(=O)Cc2ccc(N)cc2)C1 2181646595 SOHQOORFALCVGP-ZDUSSCGKSA-N 316.363 1.796 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)NC1CCS(=O)(=O)CC1 2197934885 ZXAPHYULAHGYTM-JTQLQIEISA-N 301.372 1.048 10 10 DDCE COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 2183614921 AGIPBEPZRWDQTE-ZJUUUORDSA-N 304.372 1.148 10 10 DDCE Oc1cccc(CNCCn2cc(Br)nn2)c1O 2072769748 GWSALFSPGRSNQV-UHFFFAOYSA-N 313.155 1.242 10 10 DDCE C[C@H](N)c1ccc(N2CC(S(=O)(=O)C(F)(F)F)C2)cc1 2237659264 WRHQPJLUTUKPQB-QMMMGPOBSA-N 308.325 1.830 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2ccc(N)cn2)s1 2269131876 AINYCKZTRHJRLU-UHFFFAOYSA-N 316.433 1.321 10 10 DDCE CN1C(=O)NC(=O)C(=CN[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C1=O 2297731087 GJEOSPDOTNOWGL-SEFYAATASA-N 305.378 1.383 10 10 DDCE CNC(=O)[C@@H](C)NCc1ccc(C)c(Br)c1O 2307564621 BHBWJTYGXHAEFY-MRVPVSSYSA-N 301.184 1.687 10 10 DDCE CCN1C(=O)NC(=O)C(=Cc2cc(C)n(C3CC3)c2C)C1=O 2313656681 XPIIGPFBYYRSDW-UHFFFAOYSA-N 301.346 1.922 10 10 DDCE CCS(=O)(=O)N(C)Nc1nc(Cl)c(C(=O)OC)s1 2317459164 VBOJUJPADSTMHK-UHFFFAOYSA-N 313.788 1.192 10 10 DDCE Cc1ccc(CN2CC(F)(C(=N)N)C2)c(O)c1Br 2327793936 XVYRCYXHAYHWOC-UHFFFAOYSA-N 316.174 1.923 10 10 DDCE O=C(O)c1c(O)c(O)c2c(c1O)C(=O)c1ccccc1C2=O 4098700 OOKBSCGBRWBGFL-UHFFFAOYSA-N 300.222 1.277 10 10 DDCE biogenic,in-vitro CCN1C(=O)/C(=C/Nc2cccc(OC)c2)C(=O)NC1=S 104923288 DTZWXDUPUDMEMY-DHZHZOJOSA-N 305.359 1.254 10 10 DDCE CC[C@H](O)CN1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 175682885 BYZYWCFWTQDTJL-HNNXBMFYSA-N 324.396 1.622 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(N)=O)CC1 60678905 CPXANULFPXQGRC-UHFFFAOYSA-N 318.421 1.502 10 10 DDCE CN(c1ccc(CO)cc1F)[C@@H]1CC[C@H](S(C)(=O)=O)C1 2361700879 CDVKKOZDYGWLAF-NEPJUHHUSA-N 301.383 1.720 10 10 DDCE Cc1cc(CS(=O)(=O)NCCOc2ccc(N)cc2)no1 38079623 PZGCTSUYCSIJQE-UHFFFAOYSA-N 311.363 1.064 10 10 DDCE COc1ccc(N2CCN(C)CC2)cc1NC(=O)NC(C)C 74587068 GFDFWIXLIOPJPT-UHFFFAOYSA-N 306.410 1.977 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H]2CCCC[C@H]2CO)cc1 89503848 CJARKPZPUKQCML-KGLIPLIRSA-N 312.435 1.487 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2CC[C@@H]2S(C)(=O)=O)c1O 2368549160 JQXRFCLYMJZZKE-PWSUYJOCSA-N 319.810 1.719 10 10 DDCE COc1ccc(N2CCC(N[C@@H](C)Cn3cncn3)CC2)cc1 370646493 VGKZRJHECCGJSI-AWEZNQCLSA-N 315.421 1.934 10 10 DDCE CCOC(=O)C(C)(C)NCC(=O)NCc1ccc(N(C)C)cc1 298263570 VXHFNZHTLPLSNQ-UHFFFAOYSA-N 321.421 1.300 10 10 DDCE CCN(CC)c1ccc(CNC(=O)Cc2cnnn2C)cc1 822608397 SPFMXLNPBWZIPV-UHFFFAOYSA-N 301.394 1.520 10 10 DDCE COC(=O)C[C@@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 900861864 BOTKBIZWLDQKSJ-BDAKNGLRSA-N 311.309 1.699 10 10 DDCE C[C@H]1[C@@H](C)O[C@H](C)CN1CC(=O)NCc1ccc(N(C)C)cc1 839573936 HSGUMGWFLDZJAB-QLFBSQMISA-N 319.449 1.867 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNC[C@H]2C[C@@H](N(C)C)C2)c1O 848923479 LQDXPBJUORLTFY-KLPPZKSPSA-N 309.366 1.739 10 10 DDCE COC[C@@H]1C[C@@H](O)CN1C(=O)NCc1ccc(N(C)C)cc1C 844993724 WPPIWVZVISNMNI-JKSUJKDBSA-N 321.421 1.352 10 10 DDCE COC[C@@H](C)OC[C@@H](O)CN1CCCc2cc(CN)ccc21 923285874 GZLVHFSEWWFPPZ-CJNGLKHVSA-N 308.422 1.310 10 10 DDCE CN1CCN(c2ccc(CN)c(Br)c2)[C@H](CO)C1 699480083 VNURLSJNBBHPOK-LBPRGKRZSA-N 314.227 1.021 10 10 DDCE C[C@H]1CCC[C@@H](CNC(=O)C(=O)NCCc2ccc(N)cc2)O1 851688217 SYXXRBVXDXIQEZ-WFASDCNBSA-N 319.405 1.001 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])c1 853858340 IWHQCNSACIWTHE-KHTIXYADSA-N 318.329 1.742 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cn(C[C@@H]3CCOC3)nn2)c1 862753347 CMGLDLLOYCGXMR-LBPRGKRZSA-N 316.361 1.259 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)C2CCN(OC)CC2)c1 866765764 ZHWPUPMQFQAFMV-LLVKDONJSA-N 308.378 1.851 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)CN1CCOCC1 783650247 OYBAGEKONGESSA-HNNXBMFYSA-N 319.449 1.646 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cnc(C2OCCO2)s1 1142533436 KGHWCPGTGZETKC-UHFFFAOYSA-N 322.342 1.530 10 10 DDCE C[C@H](NC(=O)N1CC[C@@H](O)[C@H](CO)C1)c1ccc(N(C)C)cc1 1226646605 COMLOPNIZCIBKR-DUVNUKRYSA-N 321.421 1.198 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cnc2[nH]c(O)nc2c1 1178413207 OOXITZNQEPNGOO-UHFFFAOYSA-N 302.265 1.438 10 10 DDCE NC(=O)[C@H]1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 1251824990 RMMGQNUNZXZWLZ-GZMMTYOYSA-N 311.769 1.499 10 10 DDCE Nc1ccc(CC(=O)NCc2n[nH]cc2Br)cc1 718116259 BQARCNZHWVVSSS-UHFFFAOYSA-N 309.167 1.613 10 10 DDCE CCCN(Cc1ccccc1O)c1nnnn1C[C@H]1CCCO1 1334464080 UYPJLMXFYJCYBR-CQSZACIVSA-N 317.393 1.974 10 10 DDCE C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1294963569 IFRYQXBGNLKXKE-MFKMUULPSA-N 320.349 1.773 10 10 DDCE N[C@@H]1CCc2cc(O)c(O)c(O)c2-c2ccc(O)c(=O)cc21 205061483 MNJZTCDGAVEFIT-SNVBAGLBSA-N 301.298 1.482 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)[C@H]2CCOC2)cc1C 1567001998 KYHBDSMBJDWZEP-HIFRSBDPSA-N 306.406 1.634 10 10 DDCE Cc1sc(=O)n(CC(=O)NCc2cc(O)ccc2O)c1C 1643881678 BCJAKEYIQMZFQG-UHFFFAOYSA-N 308.359 1.254 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1cnc2c(c1)CNC2=O 1653586601 PNBBPBRKQCYWLK-DUXPYHPUSA-N 311.297 1.388 10 10 DDCE C[C@H]1CCCN(S(=O)(=O)N2CCC(CN=[N+]=[N-])CC2)C1 1912178055 JZDRASXCALNASY-NSHDSACASA-N 301.416 1.985 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 2151275795 QFPAAEUGUDPWIQ-ISTVAULSSA-N 314.838 1.983 10 10 DDCE CS(=O)(=O)C[C@H]1CCN(c2ccc(CN)c(F)c2F)C1 2143671107 HNWPHXMPFVNAED-VIFPVBQESA-N 304.362 1.294 10 10 DDCE CS(=O)(=O)c1sccc1[C@H](O)[C@H](N)c1ccccc1O 2150483299 XVRGGZBFFITVII-NEPJUHHUSA-N 313.400 1.591 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1Nc1c(N)cccc1C(N)=O 1984414272 FDBFFZVAFAHKTA-BXKDBHETSA-N 320.393 1.693 10 10 DDCE COc1ccc(CNC[C@@H](CO)NC(=O)OC(C)(C)C)cc1C 1985855523 PJNPOOFGBZBJSW-AWEZNQCLSA-N 324.421 1.979 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(F)cc2O)C1 294073839 YOWDYEAIZZTIFY-LLVKDONJSA-N 301.383 1.788 10 10 DDCE C[C@@H]1C[C@](NCCCN=[N+]=[N-])(C(N)=O)CN1Cc1ccccc1 309961945 AOVMKCHTDBCQKF-CZUORRHYSA-N 316.409 1.795 10 10 DDCE CCN(CC(N)=O)c1ccc([C@@H](C)N)c(Br)c1 723180701 BYOLNZCWKBDPLK-MRVPVSSYSA-N 300.200 1.780 10 10 DDCE COC(=O)C=Cc1ccc(N2CC[C@H]2C(=O)OC)c([N+](=O)[O-])c1 2059801031 BKJOEPPCANBDEW-LBPRGKRZSA-N 320.301 1.533 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N3CC([S@](C)=O)C3)c(Cl)cc21 2171956850 LYEVWUACSSCUBC-YUNKPMOVSA-N 313.810 1.120 10 10 DDCE N[C@@H]1CCN(Cc2cc(Br)ccc2O)C[C@H]1CO 2058552769 SBEUJTOFGRFQNQ-CMPLNLGQSA-N 315.211 1.296 10 10 DDCE CCN(c1ccc(CN)c(OC)c1)[C@@H](C)CS(C)(=O)=O 2204556659 GGUFKAKWVYVYJR-NSHDSACASA-N 300.424 1.413 10 10 DDCE CNCC1(NCc2cc(Br)c(O)cc2O)CC1 2248027853 AZNLCILBEZWCDH-UHFFFAOYSA-N 301.184 1.702 10 10 DDCE NCc1ccc(N2CCC[C@@H]3CNC(=O)[C@@H]32)c(Br)c1 2264599230 OOWDGYHUACDJBZ-ZWNOBZJWSA-N 324.222 1.623 10 10 DDCE CSc1ncc(CNC(=O)NCC[C@H](C)C(=O)O)s1 2269093554 OOXFAMHHLCKFMN-ZETCQYMHSA-N 303.409 1.775 10 10 DDCE Nc1ccc(OC[C@@H](O)C[S@](=O)CCC(F)(F)F)cc1 2283702103 LCYTZESIFYWQNI-CFMSYZGJSA-N 311.325 1.710 10 10 DDCE Cc1ccc(CN(C)Cc2nn[nH]n2)c(O)c1Br 2327793819 XHNPVZWBNRVYJA-UHFFFAOYSA-N 312.171 1.608 10 10 DDCE Cc1ccc(CNC[C@H]2CCC(=O)N2)c(O)c1Br 2327797962 AOUQAALVSZRPEW-SNVBAGLBSA-N 313.195 1.831 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@H]([S@](=O)Cc2ccc(N)cc2)C1 2342098785 ZEKBACMHPMLEMI-VEVIJQCQSA-N 301.433 1.483 10 10 DDCE C[C@H]1OCC[C@@H]1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 184300368 NCGUFMDNWVBDIL-DOMZBBRYSA-N 312.435 1.692 10 10 DDCE CCN(CC(=O)N(C)C)c1ccc(CN)cc1Br 212901024 BFRICDBMBUPNTE-UHFFFAOYSA-N 314.227 1.822 10 10 DDCE CCc1cccc(CNCCCS(=O)(=O)N(C)C)c1O 2367618745 HWQAIBZXXZAPEA-UHFFFAOYSA-N 300.424 1.326 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCCC(=O)N2)c1 194367437 AZNBRCPGFFUFPI-GWCFXTLKSA-N 306.362 1.637 10 10 DDCE COC(=O)[C@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 92643771 XQVVMDZNGZLBDW-INIZCTEOSA-N 318.417 1.908 10 10 DDCE CCOC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H](N=[N+]=[N-])[C@@H]1O 261306052 LFRBCTNPGRAUIN-AXTSPUMRSA-N 314.342 1.503 10 10 DDCE COc1ccc(O)c(CN2CCC[C@@H](c3ccnc(N)n3)C2)c1 377694897 LTAPEUFYIUGPNI-GFCCVEGCSA-N 314.389 2.153 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@@H]12 800514903 PYIPSGXZHGRTNI-CJHYQQOXSA-N 309.365 1.678 10 10 DDCE CCOc1cccc(-c2nnc(SCC(=O)C(C)=O)n2N)c1 808025996 IOSLUMALKWMHIR-UHFFFAOYSA-N 320.374 1.308 10 10 DDCE CC(=O)C(=O)COC(=O)[C@](C)(O)c1ccccc1C(F)(F)F 808519148 PJYCDXKOEAUKLK-CYBMUJFWSA-N 318.247 1.614 10 10 DDCE CC(C)[C@H](NCc1cc(Br)cc(F)c1O)C(N)=O 715744986 LQMHNSZIJRFUMM-JTQLQIEISA-N 319.174 1.893 10 10 DDCE Oc1cc2c(cc1CN1C[C@H]3CC[C@H]1[C@H]1CNC[C@@H]31)OCO2 903962573 KIAWPIQUQGFTJE-SAXRGWBVSA-N 302.374 1.551 10 10 DDCE C[C@@H](O)C(=O)N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 835028024 IHDHCSQGNPIJOU-MBVDDHJVSA-N 317.433 1.291 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)C2CN(C)CCN(C)C2)c1 907059913 JLBSUIIRKLLLFG-GFCCVEGCSA-N 321.421 1.071 10 10 DDCE Cc1cc(CNC(=O)[C@H](O)C(C)(C)O)c(C)n1-c1ccccc1 913167291 PCCDMIXTZLFXNT-INIZCTEOSA-N 316.401 1.842 10 10 DDCE CC(=O)C(=O)CN1C(=O)NC2(CC(c3ccccc3)C2)C1=O 849958333 FUDDTICHSUWWBV-UHFFFAOYSA-N 300.314 1.013 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](Nc2ncccn2)C1 844147932 VIIKFSVXBJYBHR-SECBINFHSA-N 318.308 1.354 10 10 DDCE O=C1N[C@@H](CCF)C(=O)N1CCCSc1nccs1 844714911 CXDHIQJREDLTJW-QMMMGPOBSA-N 303.384 1.905 10 10 DDCE O=C(Cc1cn2c(n1)CCCC2)NCCc1ccc(O)c(O)c1 845833280 JMVRLORFSKVNGQ-UHFFFAOYSA-N 315.373 1.532 10 10 DDCE C[C@H]1CC[C@H](NCc2ccc(N(C)C)c(F)c2)CS1(=O)=O 850369001 RBHKNKGXDLCXTK-AAEUAGOBSA-N 314.426 1.947 10 10 DDCE COC[C@H](CCCN)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854217088 ISIXFBFDBYXVOR-CABCVRRESA-N 307.438 1.617 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CCc3cnn[nH]3)C2)cc1 869228285 GSPAFQHLEIMXAV-CYBMUJFWSA-N 315.377 1.141 10 10 DDCE CC1(CNC(=O)C(=O)NCCc2ccc(N)cc2)C[C@H]2C[C@@H]2C1 861776254 IRQUFTHNRSCSSK-ZIAGYGMSSA-N 315.417 1.480 10 10 DDCE CCn1ncnc1COc1ccc(N(C)C)c(C(=O)OC)c1 865395627 ZJQFPSMFCKDHGS-UHFFFAOYSA-N 304.350 1.730 10 10 DDCE C[C@H](NC(=O)CC1CS(=O)(=O)C1)c1ccc(N(C)C)cc1 867504068 RUANHBNSOSANSZ-NSHDSACASA-N 310.419 1.365 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](O)c1ccc(C(F)(F)F)cc1 873480365 JDSCASQZWJEYQY-NSHDSACASA-N 304.220 1.440 10 10 DDCE Cc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(=O)[nH]c1C 773021792 CDASRWIWXQVIAH-LBPRGKRZSA-N 314.389 1.944 10 10 DDCE C[C@@]12CCC(=O)N1[C@@H](C(=O)N1Cc3cccc(O)c3C1)CS2 871198588 JXXNCBGUPSHMBA-MLGOLLRUSA-N 318.398 1.688 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@H](O)Cc1cnn(C)c1 786989041 ONDXHHRSLXWYAX-MRXNPFEDSA-N 316.405 1.014 10 10 DDCE O=C(N[C@H]1CCCCNC1=O)c1cc2cc(O)c(O)cc2s1 895694306 KJKWUSYGMMWSCI-VIFPVBQESA-N 320.370 1.711 10 10 DDCE COc1ccc2c(c1)NC1(CCNCC1)CN2CCCCN 76931215 RZLGHPIXVXMDDG-UHFFFAOYSA-N 304.438 1.788 10 10 DDCE CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@H]1CCSC1 1329340011 MYHOVEDKZRYGNY-NSHDSACASA-N 306.387 1.198 10 10 DDCE CNC(=O)C(C)(C)NCc1ccc(Br)cc1O 691404866 RWSRFHULAMQGDU-UHFFFAOYSA-N 301.184 1.769 10 10 DDCE OCc1ccc(N2CCS[C@H](CO)C2)c(Br)c1 720019105 JQMLRXXSECPQJJ-JTQLQIEISA-N 318.236 1.856 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CC(F)(F)C3)c(Br)cc21 1916991106 JFPSTUVSGGBZTG-VIFPVBQESA-N 318.121 1.856 10 10 DDCE CSCCS(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 2117400691 XWISMRWZTBFRMK-UHFFFAOYSA-N 324.449 1.163 10 10 DDCE COc1ccc(CNC(=O)c2ccnc3[nH]c(O)nc23)c(O)c1 1467471719 PVZCNRUXOGOKLZ-UHFFFAOYSA-N 314.301 1.308 10 10 DDCE C[C@H](NC(=O)CNc1ccccc1C(N)=O)c1ccccc1O 1635804624 XRLLIPQRSUPUFC-NSHDSACASA-N 313.357 1.780 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](NC(N)=O)C(C)(C)C 1633818721 JVVLETPOXKMEJS-TVQRCGJNSA-N 323.393 1.228 10 10 DDCE C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)Cc1ccc(O)c(O)c1 1631462475 JGPFEMTZGYGYNP-OUAUKWLOSA-N 306.362 1.106 10 10 DDCE CC[C@@H]1SC(=S)N(CCC(=O)NC[C@@H]2CCCO2)C1=O 11635842 LYJLSBASJHYCJM-UWVGGRQHSA-N 316.448 1.311 10 10 DDCE O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1CCC[C@H]1O 161276654 KGQOMYOJFZLOAX-QOCAVEGASA-N 316.401 1.566 10 10 DDCE O=S1(=O)CCC[C@@H]2CN(c3ccc(CO)c(Cl)c3)C[C@H]21 2145046897 RWNMANSXGOQXQQ-QMTHXVAHSA-N 315.822 1.846 10 10 DDCE Cn1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1CO 2157781210 UMEVPYRFCUOKLQ-UHFFFAOYSA-N 316.766 1.677 10 10 DDCE C[S@@](=O)CCC[S@](=O)CCC(=O)Nc1ccc(N)cc1 319428642 JPDLQQMCWKBPOI-UXHICEINSA-N 316.448 1.115 10 10 DDCE CN(C)C[C@@H](CO)NCc1ccc(Br)cc1O 716702724 AJACWXWEZWGXFZ-NSHDSACASA-N 303.200 1.167 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3[C@H]4CC[C@H]3[C@H](C)[C@@H](O)C4)c2n1 2064841967 FHFFIBXJXMJGOM-UKJIMTQDSA-N 316.361 1.117 10 10 DDCE C[C@H](N)c1ccc(N(C)CC2(S(C)(=O)=O)CC2)c(F)c1 2167824722 FEWLQUPMLBZGRH-JTQLQIEISA-N 300.399 1.859 10 10 DDCE CCN(Cc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)NC1=O 2171207651 VFTMKPKAZUTDQZ-JTQLQIEISA-N 317.172 1.936 10 10 DDCE CCN(CC)[S@@](C)(=O)=NC(=O)c1cc(O)c(O)c(O)c1 2188913650 UMJTUFJQFAMVJJ-FQEVSTJZSA-N 302.352 1.298 10 10 DDCE C[C@H]1CNC[C@@H]1CS(=O)(=O)Nc1ccc(O)c(Cl)c1 2087407052 BGNUGFWWLHADME-DTWKUNHWSA-N 304.799 1.643 10 10 DDCE CN(Cc1ccc(F)cc1O)[C@H]1CCCS(=O)(=O)CC1 2204650516 JOBTVZFASBWZHM-ZDUSSCGKSA-N 301.383 1.930 10 10 DDCE CCCS(=O)(=O)CCN[C@H](C)c1ccc(OC)cc1O 2204664559 NFJFPJXZJUFLQO-LLVKDONJSA-N 301.408 1.876 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@]12C[C@@H]2C(=O)C(=O)C[C@H]1C[C@H](N)C1 2243547246 NORVBSHNTWIKDW-JISVWNMTSA-N 322.405 1.555 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@H]2CC[C@@H]2O)s1 2256963375 DDJZGMZHNLWODF-APPZFPTMSA-N 308.450 1.055 10 10 DDCE Cc1ccc(CN[C@H]2CCOC[C@H]2N)c(O)c1Br 2327798360 GMPOUJLTMGXLDY-MNOVXSKESA-N 315.211 1.669 10 10 DDCE C[C@H](O)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1Cl 2336342222 GIECTQXPMTZWAB-IGJMFERPSA-N 301.795 1.627 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@@H](C)O3)CC2)cc1 177907190 SGZWWWJEDADERX-CJNGLKHVSA-N 304.390 1.911 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)N2CCC[C@@H](C)C2)c1 119857809 BFKOOKPOTVAODP-LLVKDONJSA-N 314.407 1.467 10 10 DDCE O=S(=O)(NCC(F)(F)F)Nc1ccc(O)cc1Cl 127223385 AULJIAYGQWBWFT-UHFFFAOYSA-N 304.677 1.854 10 10 DDCE CCOc1ccc(O)c(CN2CCC(N3CCNC3=O)CC2)c1 127637888 OARUGPHZUHNRST-UHFFFAOYSA-N 319.405 1.781 10 10 DDCE COc1c(O)c2c(c(O)c1OC)C(=O)c1ccccc1C2=O 14725207 BZICAOKAWKQGRZ-UHFFFAOYSA-N 300.266 1.890 10 10 DDCE biogenic C[C@H](Nc1cnn(CC(=O)NCCO)c1)c1ccc(F)cc1O 186508115 GLOKHNFMGGLNDP-JTQLQIEISA-N 322.340 1.009 10 10 DDCE NS(=O)(=O)CCCCCCNCc1ccc(F)cc1O 2364236317 MZJNPHXXMPPSDC-UHFFFAOYSA-N 304.387 1.470 10 10 DDCE Cc1ccc(CN2CC[C@@H](S(=O)(=O)C(F)F)C2)c(O)c1 2368504862 JOPJXVOAEYOWRX-LLVKDONJSA-N 305.346 1.912 10 10 DDCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)Nc1ccnc(Cl)c1 149276537 MMBPFLHPRMWTOB-JTQLQIEISA-N 307.737 1.655 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C)C1=O 295388051 YDZGLEDOCVWPNI-AWEZNQCLSA-N 304.390 1.999 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCC1 817276049 YAUKZMAAGWBNTD-LBPRGKRZSA-N 313.350 1.381 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)Cc3ccon3)C2)cc1 819584965 VKTFQRNQQQSZTC-CYBMUJFWSA-N 315.373 1.868 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNCCc2cncc(C)n2)c1O 827376238 ARCYWXUYGPNEGE-UHFFFAOYSA-N 318.333 1.740 10 10 DDCE COC[C@]1(C(=O)OC)CCCN1Cc1cc(OC)ccc1O 827489395 PVYFWAXPIXAFEO-INIZCTEOSA-N 309.362 1.555 10 10 DDCE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)c3c(F)ccc(O)c3O)[C@@H]2C1 900769065 RVVVFVCUUUPLPW-LOKLDPHHSA-N 323.320 1.554 10 10 DDCE CN(C)c1ccc(/C=C/CNCCN2CCCS2(=O)=O)cc1 835036862 GDAMCOQQFKYNPK-HWKANZROSA-N 323.462 1.391 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NCC[C@@]1(O)CCOC1 845453450 RWGBSFUSFXENMH-QGZVFWFLSA-N 322.405 1.855 10 10 DDCE CO[C@H](CS(=O)(=O)Nc1ccc(O)cc1)C1CCOCC1 842573207 GOWUGYTZFRGLHM-CQSZACIVSA-N 315.391 1.576 10 10 DDCE COc1ccc(O)c(CNC(=O)c2ccc3c(n2)OCCO3)c1 847591387 VFNCWDQNNIFNFW-UHFFFAOYSA-N 316.313 1.497 10 10 DDCE CC[C@](C)(CO)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 847304456 RGCDJIGICJLIRX-GOSISDBHSA-N 320.433 1.890 10 10 DDCE C[C@@H]1CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 920042939 AIEGKBXJVHNETP-GFCCVEGCSA-N 307.369 1.966 10 10 DDCE CCN1OC[C@H](N(C)CCN(C)c2ccc(OC)cc2)C1=O 852211014 FISCKSVOLOKQLE-HNNXBMFYSA-N 307.394 1.226 10 10 DDCE CCN(CCCO)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854300216 QDJURPIVZCBBJT-AWEZNQCLSA-N 321.421 1.688 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCc2ccnc(O)c2C1 757644723 WMBPQXKBSIHOMZ-RQOWECAXSA-N 312.325 1.797 10 10 DDCE Cc1cc(N(C)C)ccc1CN1C(=O)N[C@@]2(CCSC2)C1=O 761353945 IGZQIGSPMXOJIU-MRXNPFEDSA-N 319.430 1.989 10 10 DDCE C[C@H]1C[C@@H](S(=O)(=O)NCc2ccc(O)cc2O)CCO1 867416636 DTRUGHKIDGLYQI-CABZTGNLSA-N 301.364 1.085 10 10 DDCE CC(C)n1cc(S(=O)(=O)N2Cc3cccc(O)c3C2)cn1 867690743 LPQUVOJSEXSXDQ-UHFFFAOYSA-N 307.375 1.874 10 10 DDCE CC(=O)c1cc(O)ccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1 766047005 ALPLEAOEKKKGIE-UHFFFAOYSA-N 324.314 1.422 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc2[nH]nnc12 773725254 FDFDXNMSYPZWNQ-UHFFFAOYSA-N 310.361 1.691 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC(Oc2ccncc2)C1 779513431 HNWINSNFZMBBDR-RQOWECAXSA-N 312.325 1.796 10 10 DDCE COc1nn(C)cc1NCc1ccc(N2CCOCC2)cc1 788971851 QMDHCFIXLKGYTR-UHFFFAOYSA-N 302.378 1.877 10 10 DDCE NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(Cl)c1O 895367305 AZXODHYVJJUULQ-SCZZXKLOSA-N 305.161 1.120 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c1 897929561 XPMFEHJTLOHNIQ-KLHXSOHHSA-N 318.373 1.937 10 10 DDCE O=C(Nc1cncnc1N1CCCC1)c1cccc(O)c1O 1137350392 LRXAWFBVYCPLKQ-UHFFFAOYSA-N 300.318 1.740 10 10 DDCE CN(C)c1ccc(CNC[C@@](C)(O)CO)c(C(F)(F)F)c1 794748435 PYSATGAXXIJKPU-CYBMUJFWSA-N 306.328 1.604 10 10 DDCE COC[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(N=NC(N)=O)cc1 1144769052 JYUIZLZZVIZFLA-NWDGAFQWSA-N 306.322 1.071 10 10 DDCE CCCC(=O)N1CCC[C@@H](C(=O)NCc2c(O)cccc2O)C1 1304051613 YMFYFQABVSJVJG-GFCCVEGCSA-N 320.389 1.753 10 10 DDCE C[C@@H](C(=O)NCc1c(O)ccc2ccccc12)S(C)(=O)=O 1179029902 VQYOZPMOTVRQPL-JTQLQIEISA-N 307.371 1.595 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCC1(C)C[C@H]2C[C@@H]2C1 1329813874 ITJBLGLFFBKLCQ-ZIAGYGMSSA-N 316.401 1.903 10 10 DDCE CN(c1ccc(CN)cc1Br)C1CC(C(N)=O)C1 703531473 XITHIFBJNDCJCI-UHFFFAOYSA-N 312.211 1.608 10 10 DDCE Cn1cc([C@H](NCCN=[N+]=[N-])C(=O)O)c(Br)n1 712425335 PPMMUHOLLXEXMG-LURJTMIESA-N 303.120 1.208 10 10 DDCE COc1cc(C)cc(CNCC[C@@H]2CCCS2(=O)=O)c1O 1332724676 NOOIYPIUHQTONS-ZDUSSCGKSA-N 313.419 1.766 10 10 DDCE CCOc1ccc(N2CCN(C(=O)[C@@H](O)C3CCC3)CC2)cc1 1261261209 MMFWVIAXFITRFU-KRWDZBQOSA-N 318.417 1.895 10 10 DDCE CN1C(=O)CCN(C(=O)/C=C/c2cn(C)cn2)c2ccccc21 1538771577 FQBWAWZRJWFYCG-BQYQJAHWSA-N 310.357 1.833 10 10 DDCE CC(C)(C)C(=O)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1624101686 WAWKWGSSPPWKIT-UHFFFAOYSA-N 320.389 1.357 10 10 DDCE COc1ccc(CNC[C@H](O)CN(C)C(=O)C2CCC2)cc1C 1717908860 KNMZKZZLCNBCRK-INIZCTEOSA-N 320.433 1.713 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc(-n2cncn2)nc1 1558174183 GWHAODPSHUCDNT-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@@H](O)Cc1ccccc1Cl 1645362974 HIXISPUQVCDEIU-HNNXBMFYSA-N 321.760 1.971 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCO[C@@H]3COCC[C@@H]32)cc1 1645429230 XTMUATIQJFETTG-QWHCGFSZSA-N 318.333 1.479 10 10 DDCE O=C(O)C=Cc1ccc(N2CCS(=O)(=O)CC2)c(Cl)c1 1912099345 RFBTZILZUIJPNA-UHFFFAOYSA-N 315.778 1.673 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@H]1N1CCCC[C@H](CN=[N+]=[N-])C1 1912149377 FSSPXULJRDJIAA-IJLUTSLNSA-N 302.400 1.211 10 10 DDCE CS(=O)(=O)N1CC[C@H](CN2CCC(CN=[N+]=[N-])CC2)C1 1912189291 VHJKIXPGCZXLES-GFCCVEGCSA-N 301.416 1.290 10 10 DDCE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1893863126 AGMLYIFVAFXTNT-NQBHXWOUSA-N 312.410 1.801 10 10 DDCE Cc1cc(NS(=O)(=O)c2c(Cl)cnn2C)ccc1O 228018124 VSENPLQZBJGEGL-UHFFFAOYSA-N 301.755 1.888 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(Br)c1 2136610236 BVWLEIJKGNDZBJ-UFAOYGAJSA-N 324.222 1.636 10 10 DDCE Nc1cc2c(cc1N1CCC[C@@H](C3OCCO3)C1)NC(=O)CO2 2145845953 NQCQPXBKMBKDIZ-SNVBAGLBSA-N 319.361 1.189 10 10 DDCE O=C(O)[C@@H]1CNCCN1Cc1c(O)cccc1Br 706806662 UWVIPDYZBPSSPJ-JTQLQIEISA-N 315.167 1.013 10 10 DDCE C[C@](O)(CO)CNCc1cc(Cl)cc(Br)c1O 708098988 OAOXFUFJEUFQGC-LLVKDONJSA-N 324.602 1.641 10 10 DDCE CN(C)C[C@H]1CN(c2cc(Cl)c(CN)cc2F)CCO1 2177381978 UIMAUDJVQMPHAC-NSHDSACASA-N 301.793 1.705 10 10 DDCE C[C@@H](Cn1cnnc1)NCc1cccc(Br)c1O 2066623829 XKHNAOIYRORFMX-VIFPVBQESA-N 311.183 1.925 10 10 DDCE Oc1cccc(Br)c1CNCC1(O)CSC1 2243462284 LHYHBOFXDUQGIN-UHFFFAOYSA-N 304.209 1.722 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H]2[C@H](O)CO)cc1Br 2258342681 BDLRDJBDSCJYAR-ZEGGKSINSA-N 315.211 1.401 10 10 DDCE CC[C@H](C)N/C=C1\C(=O)NC(=O)N(c2ccccc2OC)C1=O 103768091 FSULHFBFOYBDMK-SPQRFVMMSA-N 317.345 1.550 10 10 DDCE Nc1ccc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 63063562 OZGBGCPLOAPZKA-UHFFFAOYSA-N 308.319 1.568 10 10 DDCE C[C@@H](O)[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 302025175 HLZBUHIOSUPAMV-RKDXNWHRSA-N 307.306 1.133 10 10 DDCE CS(=O)(=O)N1CCC[C@H](NCc2cc(Cl)ccc2O)C1 400153950 GSUWGQDMUUPXFK-LBPRGKRZSA-N 318.826 1.559 10 10 DDCE CC[C@H](CO)N1CCN(Cc2cc(OC)c(OC)cc2O)CC1 180519205 GAQBIOMCAQDWIE-CQSZACIVSA-N 324.421 1.298 10 10 DDCE CN(C)C[C@@](C)(O)CNCc1cc(Cl)cc([N+](=O)[O-])c1O 131343797 ALGZWDGYWGEESH-ZDUSSCGKSA-N 317.773 1.356 10 10 DDCE COc1ccc(N2CCN(C(=O)Nc3ncnn3C)CC2)cc1 91182614 GVHKJIPMKFLOSD-UHFFFAOYSA-N 316.365 1.178 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCN(C[C@H](C)O)C[C@H]2C)c1O 249517962 SOCSLUWIDIVZHU-NEPJUHHUSA-N 324.396 1.621 10 10 DDCE C[C@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccccc1O 362238760 OGKBLAJJDVSJCS-SWLSCSKDSA-N 304.390 1.823 10 10 DDCE COc1ccc(C2(C(=O)OCC(=O)C(C)=O)CCC2)cc1OC 808537074 RDFQHEQSIIWWSK-UHFFFAOYSA-N 320.341 1.827 10 10 DDCE CC(C)[C@@H](On1c(=O)c(=O)oc2ccc(Cl)cc21)C(=O)O 821296416 BUXDTCWWVICWNO-SNVBAGLBSA-N 313.693 1.146 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)CC(C)(C)CN 722241680 OOTSYYNISFKOCH-NSHDSACASA-N 300.424 1.700 10 10 DDCE Cc1cc(C)c([C@H](C)NC[C@@]2(CO)COCCN2C)c(O)c1 903281588 YOEWUZYZUMBPBM-WMLDXEAASA-N 308.422 1.353 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCCCNC(=O)C1CCC1 588406870 BTUHWBPLHHJSGX-VURMDHGXSA-N 318.373 1.534 10 10 DDCE COc1ccc(N(C)Cc2cnnn2[C@@H]2CCCNC2)cc1 903932818 WBKVEUPTAWDLDG-CQSZACIVSA-N 301.394 1.848 10 10 DDCE COc1ccc(N(CC2CC2)C[C@@H](O)CN2CCOCC2)cc1 831583227 RKIJMIIDSLBZPY-KRWDZBQOSA-N 320.433 1.605 10 10 DDCE C[C@H]1CN(C(=N)NCCCSc2nccs2)CCO1 849008595 KPGDKFPTKLSOGW-JTQLQIEISA-N 300.453 1.870 10 10 DDCE O=C1C[C@H](C(=O)NCc2c(O)cccc2F)[C@H]2CCCC[C@@H]2N1 928712840 VZMOQKNBIHXJID-SUNKGSAMSA-N 320.364 1.842 10 10 DDCE COc1ccc(N2CCN(CCO[C@@H]3CCOC3)CC2)cc1 929152667 CQPPFQNRSRVMHI-QGZVFWFLSA-N 306.406 1.623 10 10 DDCE Nc1ccc(NC(=O)NCC2(C3(O)CCOCC3)CC2)cc1 926142026 HXOPGBLMHRSWCI-UHFFFAOYSA-N 305.378 1.712 10 10 DDCE CCN(CC)c1ccc(CNC(=O)N[C@H]2CCNC2=O)cc1F 852082780 UDOHUOKSZQIURG-ZDUSSCGKSA-N 322.384 1.360 10 10 DDCE CCO[C@@H](C(=O)NCc1ccc(OC)cc1O)[C@H]1CCOC1 867955958 JRZZVDOEPSOICS-SWLSCSKDSA-N 309.362 1.459 10 10 DDCE COc1ccc(N2CC[C@H](Nc3nc(C)nc(N)n3)C2)cc1 865931253 CUNCVBOYVOJQBP-NSHDSACASA-N 300.366 1.462 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)Cc1cccc(F)c1 1141491078 VTTUMBGTNSGAST-CQSZACIVSA-N 319.332 1.499 10 10 DDCE COCCNC(=O)CNCc1cc(Cl)cc(Cl)c1O 134491029 SXBGJANPOIVCHP-UHFFFAOYSA-N 307.177 1.551 10 10 DDCE CC(C)(C)OC(=O)N1CCN(CCCCN=[N+]=[N-])[C@@H](CO)C1 1962286878 CUWRWTDFLGUOFF-GFCCVEGCSA-N 313.402 1.991 10 10 DDCE CCOc1ccc(N2CC[C@H](CNCCO)C2)cc1OCC 76382912 GJMUXWFAARIYHI-CQSZACIVSA-N 308.422 1.892 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)F 1329391150 BVEADHVEWZLCOZ-UHFFFAOYSA-N 309.385 1.575 10 10 DDCE CCOC(=O)[C@@H]1CNCCN1C/C=C/c1ccc(N(C)C)cc1 1326198407 CSHLJRYUHZFUPK-RTRPANQVSA-N 317.433 1.603 10 10 DDCE C[C@H](c1cc(Cl)ccc1O)N1CC[C@H](NS(C)(=O)=O)C1 705576467 IIMIACHQSRACQL-KOLCDFICSA-N 318.826 1.730 10 10 DDCE COC(=O)c1cnc(CNC(=O)NCc2ccccc2O)s1 1255474945 MVLMTQHPZNVQSI-UHFFFAOYSA-N 321.358 1.635 10 10 DDCE CCn1cc(CN(CCOC)c2ccc(OC)c(OC)c2)nn1 1333027748 MJYRXXVGJSOKNT-UHFFFAOYSA-N 320.393 1.968 10 10 DDCE CO[C@@H](C(=O)Nc1c(Cl)ccc2nonc12)[C@@H]1CCOC1 1351259606 SBEDAYCNBFQREF-JMCQJSRRSA-N 311.725 1.866 10 10 DDCE C[C@@H](c1ccccc1O)N(C)C(=O)N[C@H](C)S(C)(=O)=O 2203036366 SXUHLRHURGCTOH-UWVGGRQHSA-N 300.380 1.485 10 10 DDCE O=C1C[C@H](C(=O)NCc2cc(O)ccc2O)[C@@H]2CCCC[C@H]2N1 1471662068 MPIUBDFGIWLLTP-MELADBBJSA-N 318.373 1.409 10 10 DDCE O=C(NCc1cccc(O)c1O)[C@H]1CC(c2ccccn2)=NO1 1471642289 REYUOEKVACFMCX-CQSZACIVSA-N 313.313 1.302 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(c2ccccn2)C1 1636531195 PQWDQPHKDYVWNJ-ZDUSSCGKSA-N 313.357 1.430 10 10 DDCE CN(C)c1ccc(CNC(=O)CCN2CC[C@H](F)C2)cc1F 1631438516 SLFLVNDZSQOERD-ZDUSSCGKSA-N 311.376 1.942 10 10 DDCE [N-]=[N+]=NC1CN(S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])C1 1912159219 FKLUCLKIIGNXTG-UHFFFAOYSA-N 301.259 1.417 10 10 DDCE CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc(O)c2O)CC1 1598135191 MVKCTLLEBRKZIZ-UHFFFAOYSA-N 322.361 1.885 10 10 DDCE CN[C@H](C)c1ccc(N2CCSC[C@H]2S(C)(=O)=O)cc1 251704688 OUIPYDXYJVCCCC-BXUZGUMPSA-N 314.476 1.891 10 10 DDCE C[C@H](N)c1ccc(N2CCNC(=O)C(F)(F)C2)cc1Cl 2146742756 VXQXTRPSPUGKCV-QMMMGPOBSA-N 303.740 1.931 10 10 DDCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)[C@@H]2CCCS(=O)(=O)C2)CC1 2155552005 NRHQAFGRQLYXEK-GHMZBOCLSA-N 300.384 1.503 10 10 DDCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)[C@@H]2CCCCS2(=O)=O)CC1 2155562267 DKYUXAVWCNDEGC-MNOVXSKESA-N 300.384 1.645 10 10 DDCE C[C@@H](O)c1ccc(N(C)CC(CO)CO)cc1Br 2033015089 WFGLIVUNPWGZIP-SECBINFHSA-N 318.211 1.539 10 10 DDCE O=C(NC1CC1)c1cnn(Cc2ccc(Cl)cc2O)c1O 2070502113 GNSPIEJBVYXCJH-UHFFFAOYSA-N 307.737 1.888 10 10 DDCE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1c1c(F)cc(CO)cc1F 2170324253 RFESVBCXFAVJPQ-RKDXNWHRSA-N 305.346 1.469 10 10 DDCE CN(CCN1CCOCC1)c1cc(Cl)c(CN)cc1F 2177376400 DVUDBUMHDZUBHO-UHFFFAOYSA-N 301.793 1.706 10 10 DDCE Oc1ccc(Br)cc1CN1C[C@@H](O)CC12CNC2 2066536961 FEAYISDPOHNLGB-NSHDSACASA-N 313.195 1.063 10 10 DDCE N[C@H]1CC[C@@H](CS(=O)(=O)Nc2ccc(O)cc2Cl)C1 2087457954 LIHMIWZILKFHOD-BDAKNGLRSA-N 304.799 1.915 10 10 DDCE COc1ccc(N2C[C@@H](O)[C@H](O)C2)c(OC)c1Br 2219389352 GUJQZXIQNRHFGO-RKDXNWHRSA-N 318.167 1.008 10 10 DDCE COCCN(C[C@@H](C)O)c1ccc(CO)c(Br)c1 2259669826 QQJLKKUUIOICBK-SNVBAGLBSA-N 318.211 1.775 10 10 DDCE O=C(Nc1cnncc1Br)c1cc(O)nc(O)c1 2264160043 MSKRKGBBXBIJOJ-UHFFFAOYSA-N 311.095 1.298 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2C[C@H](N)CC(C)(C)O2)s1 2284509719 WXVDOXHIGSFGPZ-WCBMZHEXSA-N 315.464 1.766 10 10 DDCE C[C@@H](O)c1ccc(N2CC(O)(C(F)(F)CO)C2)cc1Cl 2288529026 YMXDTSBDYAMWOJ-MRVPVSSYSA-N 307.724 1.572 10 10 DDCE COc1ccc(N2CCN([C@@H](CN)CCSC)CC2)cc1 57844215 MFIPBJJYYBXCGE-OAHLLOKOSA-N 309.479 1.898 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCN(C(C)=O)C2)c1 175263377 ACNAKVJQWODRPQ-ZYHUDNBSSA-N 306.362 1.446 10 10 DDCE Nc1cc2c(cc1N(CCO)Cc1ccccc1)NC(=O)CO2 302933566 ZHSBXUBOKLJQDC-UHFFFAOYSA-N 313.357 1.599 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)OC)cc1 170760167 OGTVACXBGARTAU-HUUCEWRRSA-N 304.390 1.958 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCc2ccncc2)cc1 70490549 OICOBUNVDHACME-UHFFFAOYSA-N 307.375 1.162 10 10 DDCE COCCN(C(=O)COc1ccc(N)cc1)[C@H]1CCSC1 40325246 PNZCWWRTYQZIKO-ZDUSSCGKSA-N 310.419 1.628 10 10 DDCE O=C1CSC(=S)N1CC(=O)N1CCCc2ccccc21 82322436 HNEPXBMHVULKJW-UHFFFAOYSA-N 306.412 1.826 10 10 DDCE COCCN(c1c(Cl)cc(OC)cc1OC)C1CNC1 2368113532 MYSFIPHATQSYNP-UHFFFAOYSA-N 300.786 1.782 10 10 DDCE CS(=O)(=O)CCCOc1ccc(N2CCNCC2)c(F)c1 87439224 ZSILJODTSNSCPW-UHFFFAOYSA-N 316.398 1.049 10 10 DDCE Cc1cc(COCC(=O)NCc2ccc(N(C)C)cc2)on1 193285230 UEDKRSSCUUQYFB-UHFFFAOYSA-N 303.362 1.882 10 10 DDCE O=C1COC[C@H](c2cc(I)ccc2O)N1 238719384 UURWWNVXLDMOQZ-MRVPVSSYSA-N 319.098 1.184 10 10 DDCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@H]1CCNC1 254985456 RFYHNQXEARNLEG-BYPUDFOVSA-N 301.390 1.015 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1cn(C[C@H]2CCOC2)nn1 528823063 FWFVJVQUZZMNJL-GFCCVEGCSA-N 316.361 1.292 10 10 DDCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCC(=O)C1CC1 255637773 CPWBBCCGUZFPJA-BAQGIRSFSA-N 314.385 1.632 10 10 DDCE COCCN1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1 295751385 GZIJOYLMFVCLEZ-UHFFFAOYSA-N 312.341 1.031 10 10 DDCE O=C(NCc1cc(Br)ccc1O)c1cncnc1 804738604 WTTHSJYGURHVPV-UHFFFAOYSA-N 308.135 1.875 10 10 DDCE O=[N+]([O-])c1cc([C@@H](C(F)F)N2CCNCC2)cc(O)c1O 575268735 BLVTUFGUBFGLPL-JTQLQIEISA-N 303.265 1.217 10 10 DDCE CS[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 828688773 XFPXUZQHGSMOQQ-QMMMGPOBSA-N 309.347 1.867 10 10 DDCE C[C@@H](O)CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 823536478 DLVMEOIAAQRVNK-CYBMUJFWSA-N 321.421 1.218 10 10 DDCE COc1ccc(O)c(CNC(=O)Cc2c(C)cc(C)nc2O)c1 907060836 PNZIMHKYKLTEHN-UHFFFAOYSA-N 316.357 1.977 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]12CCCN(CC1)C2 907271681 BTJADXAIHWPBMA-SJCJKPOMSA-N 304.390 1.631 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(C)CCCS1(=O)=O 906714120 OTDXXNPOJFCYKX-MRXNPFEDSA-N 324.446 1.645 10 10 DDCE CN(C)c1ccc(/C=C/CN(C)[C@@H]2CCS(=O)(=O)C2)cc1 835026328 UYVLJINZZIAWOP-DWTRPJMMSA-N 308.447 1.885 10 10 DDCE CC(=O)c1cc(Cl)cc(CNC2(C(=O)N(C)C)CC2)c1O 839634573 WDGVWQQPVYTSDA-UHFFFAOYSA-N 310.781 1.959 10 10 DDCE CCc1cc(NC(=O)C(=O)N(C)Cc2ccccc2O)no1 740491510 LSZHWCMXJWHZFQ-UHFFFAOYSA-N 303.318 1.540 10 10 DDCE CC(=O)N1CSC[C@H]1C(=O)NCc1cc(Cl)ccc1O 846473096 ORSPIDRWZNCQSH-NSHDSACASA-N 314.794 1.583 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cnn(C)c3C)C2)cc1 855232554 RYWUMSGXMUXJQO-ZDUSSCGKSA-N 314.389 1.746 10 10 DDCE C[C@@H](NC[C@]1(CCO)CCOC1)c1cc([N+](=O)[O-])ccc1O 756656398 XFCSWVGPOGRGJW-ABAIWWIYSA-N 310.350 1.740 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 855224020 JVAOWJCWLRAASC-ZLKJLUDKSA-N 305.334 1.055 10 10 DDCE CCCCN(Cc1ccccc1O)C[C@@H](O)C1(O)CCOCC1 930350672 ITZYZZACZYTNOB-QGZVFWFLSA-N 323.433 1.897 10 10 DDCE CSc1cc(O)ccc1NS(=O)(=O)c1cnc(C)n1C 863407420 COUGHSMZKDFRRP-UHFFFAOYSA-N 313.404 1.957 10 10 DDCE Oc1ccc(Br)cc1CN1C[C@@H](O)C[C@@H](O)C1 769565417 VYGLMIWECHKIPO-PHIMTYICSA-N 302.168 1.082 10 10 DDCE CSC(C)(C)CNS(=O)(=O)CCOc1ccc(N)cc1 133798422 XJUJQIHIMPMPME-UHFFFAOYSA-N 318.464 1.709 10 10 DDCE NCc1nccnc1NCc1ccc(N2CCOCC2)c(F)c1 1354078383 FFFQHPTYTYTEQB-UHFFFAOYSA-N 317.368 1.523 10 10 DDCE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1963809638 UBFNSKXWWBANFN-VIFPVBQESA-N 301.347 1.343 10 10 DDCE CCCN(Cc1c(O)cccc1F)[C@@H]1CCS(=O)(=O)C1 1964537186 GCOUMRYWKBMOJP-LLVKDONJSA-N 301.383 1.930 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]12 1336191448 SDUVDHLKALQDAP-GUTXKFCHSA-N 316.401 1.903 10 10 DDCE CCS(=O)(=O)[C@H]1CSCCN1c1ccc(CN)cc1 90926329 YASBXXRVKMCHMJ-ZDUSSCGKSA-N 300.449 1.459 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2cnn(C)c2)cc1C 1266921738 IGMVOLATPCPIBJ-ZDUSSCGKSA-N 316.405 1.645 10 10 DDCE CCN(CCNC(=O)c1ccc(N=NC(N)=O)cc1)CCOC 1713498045 HCDRRDWCNARAIG-UHFFFAOYSA-N 321.381 1.547 10 10 DDCE COc1ccc(CNCCN(C)C(=O)C(C)(C)C(N)=O)cc1C 1493586041 CGXFKNVLQVRKGJ-UHFFFAOYSA-N 321.421 1.063 10 10 DDCE C[C@H]1[C@H](C(N)=O)CC[C@@H](C)N1C(=O)Cc1ccc(O)c(O)c1 1640153678 ACSQQBUEOOFBPM-JFGNBEQYSA-N 306.362 1.141 10 10 DDCE C[C@@H](NC(=O)c1ccccc1-n1cnnn1)c1ccccc1O 1648889635 FYIRNAHTULWPIA-LLVKDONJSA-N 309.329 1.859 10 10 DDCE CCCN(Cc1ccccc1O)[C@H]1CS(=O)(=O)C[C@H]1OC 1652599520 GSPYMGQCQBFJPN-DZGCQCFKSA-N 313.419 1.416 10 10 DDCE CCCO[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@@H](N=[N+]=[N-])C1 1912159796 MROKOSBANKZSCC-IJLUTSLNSA-N 302.400 1.353 10 10 DDCE Cn1c(Br)nnc1CCNCCc1ccc(N)cc1 2128944199 BWEWVYUHXYQQAB-UHFFFAOYSA-N 324.226 1.535 10 10 DDCE CCOc1cccc(CNCCC(=O)OCCCOC)c1O 1857869553 JRSYBMDWPAGPOE-UHFFFAOYSA-N 311.378 1.850 10 10 DDCE CCCN(CCC(=O)O)C(=O)CNCc1ccc(N(C)C)cc1 1857865264 DCHZAYSFEFMRHH-UHFFFAOYSA-N 321.421 1.556 10 10 DDCE CN1[C@H](CNCc2cc(Cl)ccc2O)CCS1(=O)=O 1967745932 CVIGSMHKEIEMGT-NSHDSACASA-N 304.799 1.169 10 10 DDCE COCCC(C)(C)CNS(=O)(=O)Cc1ccc(N)cc1 234664245 GJCDOKJEZBPVRP-UHFFFAOYSA-N 300.424 1.751 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@@H]2NCCNC2=O)c1 1952163651 AVFFTJBZGWQKNE-LBPRGKRZSA-N 307.350 1.500 10 10 DDCE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ccc(N)cc1 1993287715 HAOSFIOVXIEARP-MFKMUULPSA-N 323.393 1.159 10 10 DDCE 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10 10 DDCE CN1C(=O)CS/C1=C/C(=O)NCc1cccc(Cl)c1O 1648609219 UPVMMUVLERYLJX-LFYBBSHMSA-N 312.778 1.708 10 10 DDCE O=C(NC[C@H]1CCN(CC(F)F)C1)c1cccc(O)c1O 1650900371 MVZJYLUAFLSQKN-SECBINFHSA-N 300.305 1.415 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 1912161869 OIGFRSBIBYYEHO-QWRGUYRKSA-N 300.384 1.503 10 10 DDCE COc1cc(CN2CCN(c3cccnn3)CC2)c(O)cc1C 160096816 FZMHICWSPHPAAD-UHFFFAOYSA-N 314.389 1.821 10 10 DDCE Nc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2)cc1 160411705 ZMSVFKMEAXBBJY-UHFFFAOYSA-N 319.386 1.576 10 10 DDCE Nc1ccc(N2CCC(OCCN3CCOCC3)CC2)cc1 585879474 IFXTYGULXJTCDR-UHFFFAOYSA-N 305.422 1.586 10 10 DDCE CNC[C@H]1CN(Cc2cc(Cl)cc(OC)c2O)CCO1 229104595 XWVQFDBTPPOOSZ-LBPRGKRZSA-N 300.786 1.474 10 10 DDCE CC(C)(O)[C@H](N)c1cc(I)ccc1O 1951471963 BKYAOYLGWJHTAV-SECBINFHSA-N 307.131 1.768 10 10 DDCE CC(C)(C)OC(=O)N1CCN[C@@H](Cc2ccc(O)c(O)c2)C1 1952236308 LOKJMBCTFYNHOO-LBPRGKRZSA-N 308.378 1.849 10 10 DDCE CN(C(=O)c1ccc(O)c(O)c1)C1CN(C(=O)OC(C)(C)C)C1 1982310972 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CN(CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(N)cc1 863556744 DLBUAUATXASOJH-CVEARBPZSA-N 303.406 1.875 10 10 DDCE CC(C)n1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)nn1 794255500 RCGJTRUWVPYWLK-UHFFFAOYSA-N 305.357 1.994 10 10 DDCE O=C(NCc1c(O)ccc2c1CCCC2)N[C@@H]1[C@H]2COC[C@H]21 793451622 RGJCJHMZICXSLT-FOLVSLTJSA-N 302.374 1.715 10 10 DDCE Cc1ccncc1N1CCN(C(=O)c2cccc(O)c2O)CC1 799057467 MMSXGRWEXSJODG-UHFFFAOYSA-N 313.357 1.764 10 10 DDCE C[C@@H](OCc1ccccc1)[C@@H](N)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043018 JOCRTVNRQMKVKH-XKVFNRALSA-N 304.390 1.185 10 10 DDCE O=C1CCN(C(=O)c2cccc(O)c2O)CCCCCCN1 1330016259 BANGSDGTDQYEQY-UHFFFAOYSA-N 306.362 1.620 10 10 DDCE C[C@@H](NC(=O)C(=O)N[C@H]1[C@H]2CCC[C@H]21)c1ccc(N(C)C)cc1 1261112900 HBYFOMSDXNPKOT-BQDHKBFISA-N 315.417 1.845 10 10 DDCE Cn1nccc1C[C@@H]1CCCN1C(=O)c1cccc(O)c1O 1353334745 NTAIRFKOKQNXTI-LBPRGKRZSA-N 301.346 1.679 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)CSc2n[nH]c(O)n2)c1 1465992047 HKEVXNWBORUZLK-ZETCQYMHSA-N 324.362 1.194 10 10 DDCE COC(=O)c1nc(C(=O)NCc2cccc(OC)c2O)cs1 1465991349 BWFBBGHRHCVMPK-UHFFFAOYSA-N 322.342 1.574 10 10 DDCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cn1nccc1N 1542169785 BBKVLPVFHGRILL-UHFFFAOYSA-N 315.421 1.969 10 10 DDCE O=C(Nc1c[nH]c(C(=O)N2CCCC2)c1)c1cccc(O)c1O 1624662493 WLUGYQPRNYVIKF-UHFFFAOYSA-N 315.329 1.914 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)C2CCC2)cc1C 1716077926 YHQXXYIFIHJSMK-OAHLLOKOSA-N 306.406 1.370 10 10 DDCE CN(C(=O)c1ccnc2c1CC(=O)N2)c1ccc2c(c1)OCO2 1566435845 AOLSGLUZYMKUDO-UHFFFAOYSA-N 311.297 1.582 10 10 DDCE Cc1nc(SCCC(=O)NCc2ccc(O)cc2O)n[nH]1 1630301726 ITJIVRDVRKVOMF-UHFFFAOYSA-N 308.363 1.323 10 10 DDCE CCCN(CC(N)=O)C(=O)c1cc2cc(O)c(O)cc2s1 1637767643 CHPNKRYBYYSGSJ-UHFFFAOYSA-N 308.359 1.650 10 10 DDCE CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1644829021 INTKPGXRGDNAPR-HAQNSBGRSA-N 321.373 1.877 10 10 DDCE CN(C)c1ccc(CN2CCN(Cc3ccnn3C)CC2)cc1 1656536403 WSTRIYCNIFAARX-UHFFFAOYSA-N 313.449 1.804 10 10 DDCE Cc1ccc(C(=O)N(CC2CC2)[C@@H](C(N)=O)C2CC2)c(O)c1O 1587623945 LODBMRQGJXCUOP-CYBMUJFWSA-N 318.373 1.522 10 10 DDCE CCn1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1 1583975586 GGDIJQPXDZGPQQ-UHFFFAOYSA-N 324.362 1.232 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)C2CCCC2)cc1C 1676492378 DWJWNFFRNVBWNJ-MRXNPFEDSA-N 320.433 1.761 10 10 DDCE C[C@H]1SC(=S)N(CCC(=O)NCc2ccccc2)C1=O 11636009 CVMSDHORFREVCL-SNVBAGLBSA-N 308.428 1.942 10 10 DDCE COCCN1CCN(Cc2cc(OC)c(C)cc2O)C[C@H]1C 160212257 AZJKJEOWBWADJD-CQSZACIVSA-N 308.422 1.862 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)c(Cl)c1 2144167072 NMMYYYMHKSPWJP-ZMLRMANQSA-N 314.838 1.841 10 10 DDCE CCN(CCOCCO)c1ccc(CN)cc1Br 310869268 YWXOFVAINQRODK-UHFFFAOYSA-N 317.227 1.743 10 10 DDCE Nc1ccc(OCCC(=O)N2CCC3(CC2)OCCO3)cc1 316926433 DWQDTYHCUFJKAY-UHFFFAOYSA-N 306.362 1.403 10 10 DDCE CCNCc1ccc(N(C)CCC(N)=O)cc1Br 381985646 MDHSOLOLTPSXKX-UHFFFAOYSA-N 314.227 1.870 10 10 DDCE CC=C[C@H](O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 2059290517 QIBWZZJKXIJLAB-INIZCTEOSA-N 322.380 1.340 10 10 DDCE 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312.416 1.384 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@H](S(=O)(=O)Cc2ccc(N)cc2)C1 2367834945 WKEZSSRNETXIKC-OLZOCXBDSA-N 317.432 1.149 10 10 DDCE CN[C@H](CO)c1cc(I)c(C)cc1O 238800812 UINONCUYZLMZHK-SECBINFHSA-N 307.131 1.558 10 10 DDCE C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1N1CCOCC1 245790260 VZMKAHRBDNPEET-GXTWGEPZSA-N 320.389 1.273 10 10 DDCE CC(C)(CNC(=O)c1c(F)ccc(O)c1O)C(=O)N1CCCC1 530276444 LKRUSBAJHFXXSY-UHFFFAOYSA-N 324.352 1.615 10 10 DDCE O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cn[nH]c1 611027807 CUHODRODYZLWPZ-BJMVGYQFSA-N 309.285 1.972 10 10 DDCE CN1CCC[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 727469396 RUILSZOMWXTGGZ-OAHLLOKOSA-N 307.413 1.846 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)COCc1nccn1C 827962621 PANNRKABKHQJFP-UHFFFAOYSA-N 316.405 1.628 10 10 DDCE COC[C@]1(C(=O)OC)CCCN1Cc1cccc(OC)c1O 827488310 GHCRQOYYVWQUDQ-INIZCTEOSA-N 309.362 1.555 10 10 DDCE O=C(NCc1ccnc(-n2ccnc2)c1)c1cc(O)cs1 732274949 OJMPNJDLMWHPRX-UHFFFAOYSA-N 300.343 1.964 10 10 DDCE CC[C@@H](C(=O)OC)C(=O)N(C)CCN(C)c1ccc(OC)cc1 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AUWXCCVNTJQWRF-DGCLKSJQSA-N 319.279 1.581 10 10 DDCE COC[C@]1(C)CN(Cc2ccc(N3CCOCC3)cc2)CCO1 862551273 LCVCGKHRFQXLCV-SFHVURJKSA-N 320.433 1.761 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](O)c1cnc[nH]1 868889237 IEVJPOXEHLMNMW-MLGOLLRUSA-N 316.405 1.565 10 10 DDCE CCO[C@H](C(=O)NCCc1ccc(O)c(O)c1)[C@H]1CCOC1 866756972 FDTQURIODCJYDZ-WFASDCNBSA-N 309.362 1.198 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1(N2CCOCC2)CC1 864633326 GCSJQCYIZXNKNY-UHFFFAOYSA-N 317.433 1.576 10 10 DDCE O=C(c1ccnc(N2CCCC2)n1)N1Cc2cccc(O)c2C1 871202389 GHTZUGNEIAUNQW-UHFFFAOYSA-N 310.357 1.938 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CCCn2nncc2C1 895756438 IYUCYEHYCFVNFV-UHFFFAOYSA-N 313.405 1.521 10 10 DDCE C[C@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)c1ccccc1O 1347463028 GPXKSRNQMNGPKI-JTQLQIEISA-N 309.387 1.394 10 10 DDCE CC(C)C[C@@H](CO)N(C)C(=O)C(=O)N(C)Cc1ccccc1O 1261342142 QRJMOPWZMAGAHS-AWEZNQCLSA-N 322.405 1.216 10 10 DDCE O=C(NC[C@@H](O)Cc1ccccc1F)c1cccc(O)c1O 1455841041 KLUVFDUKSFLMBV-NSHDSACASA-N 305.305 1.570 10 10 DDCE Cc1noc([C@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)n1 1542190513 LKTVXQPYCBYXCQ-LBPRGKRZSA-N 317.345 1.738 10 10 DDCE COc1cccc(CNC(=O)N[C@H]2CCn3ccnc32)c1O 1470259067 OVACCYJMIKQRBG-NSHDSACASA-N 302.334 1.542 10 10 DDCE CC[C@H](C)C(=O)N(C)C[C@@H](O)CNCc1ccc(OC)c(C)c1 1486262218 VJLTZTHUJOUOJU-BBRMVZONSA-N 322.449 1.959 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC/C=C/CNCCF)cc1 1716383229 WIOHESQBWPIEBG-VLMVISHWSA-N 307.329 1.694 10 10 DDCE C[C@@H](NS(C)(=O)=O)C(=O)NCc1c(O)ccc2ccccc12 1558554071 IXLBBOQOOJFUEV-SNVBAGLBSA-N 322.386 1.099 10 10 DDCE COC(=O)c1ccnc(C(=O)N(C)Cc2ccccc2O)c1 1635658482 XGGMFZGSQFQDKB-UHFFFAOYSA-N 300.314 1.846 10 10 DDCE COC(=O)c1sccc1C(=O)NCc1cccc(O)c1O 1633515862 TXYOVWUDJMTSKM-UHFFFAOYSA-N 307.327 1.876 10 10 DDCE C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1CO 1646321174 BWCYGXHVEIZUOI-JQWIXIFHSA-N 304.350 1.940 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CCOc2cc(O)ccc2C1 1641553719 WVDJNWOGTMVUNC-UHFFFAOYSA-N 319.288 1.977 10 10 DDCE COc1ccc(CN[C@@H](C)CN(C)C(=O)c2ncc[nH]2)cc1C 1571385356 GIEYAUFGJAMFSV-ZDUSSCGKSA-N 316.405 1.977 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccnn1C1CCOCC1 1653425151 YPWNRZQZJSSVPO-UHFFFAOYSA-N 317.345 1.827 10 10 DDCE Cc1nnc(N(C)Cc2ccccc2O)n1Cc1cnn(C)c1 1693459690 UQXZOPAZTLFGKY-UHFFFAOYSA-N 312.377 1.710 10 10 DDCE CCc1noc(C)c1NC(=O)C(=O)N(C)Cc1ccccc1O 160219934 YCNLHNRSCSEDKV-UHFFFAOYSA-N 317.345 1.848 10 10 DDCE CC(C)[C@H](O)CNC(=O)NCc1ccc2c(c1)CCCN2C 154293765 BIRBAYJWVRQFGN-MRXNPFEDSA-N 305.422 1.885 10 10 DDCE O=C(O)[C@@H](CO)N1C(=O)/C(=C\c2ccccc2)SC1=S 1858595597 DNJXBHMQHBCOBZ-ZFZMKPAXSA-N 309.368 1.333 10 10 DDCE Cc1ccc(C[C@@H](NC(=O)Cc2ccc(N)cc2)C(=O)O)cc1 1865955327 MZLMFTBHKJBWRU-MRXNPFEDSA-N 312.369 1.932 10 10 DDCE NCc1ccc(N(CCO)C2COC2)cc1Br 1915536732 YOBHPBBQIWCNEV-UHFFFAOYSA-N 301.184 1.105 10 10 DDCE CN[C@@H](c1ccc(N(C)C)cc1)c1c(Br)nnn1C 234410521 JXHAUBSXMFMLAU-NSHDSACASA-N 324.226 1.952 10 10 DDCE OC[C@H]1COC[C@@H]1NCc1c(O)cccc1Br 1942687939 KEJJNXSFAPFHPK-KWQFWETISA-N 302.168 1.252 10 10 DDCE [N-]=[N+]=NCCCN[C@H](C(N)=O)c1nc(Br)cs1 1950120988 SGVBMBNCOOCWPQ-ZCFIWIBFSA-N 319.188 1.722 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc([C@]2(N)C[C@H]2C(=O)O)c(O)c1 1952972516 OGMMKJFYUDKSIE-ZUZCIYMTSA-N 308.334 1.998 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@]1(C(=O)O)c1cc(O)nc(O)c1 1952930766 NLPMABSWYDWYRC-XLKFXECMSA-N 310.306 1.112 10 10 DDCE NCc1ccc(N2CC[C@@H](NC(N)=O)C2)cc1Br 700695358 FLKYEHLPCVFPFZ-SECBINFHSA-N 313.199 1.155 10 10 DDCE COc1ccc(O)c([C@@H](C)n2ncc(C(=O)NC3CC3)c2O)c1 2070492079 LMXFVSBZVJKMBE-SECBINFHSA-N 317.345 1.804 10 10 DDCE CCCS(=O)(=O)C[C@@H](C)NCc1c(O)cccc1OC 2170595719 AVPGQPWVNPQOCJ-LLVKDONJSA-N 301.408 1.704 10 10 DDCE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2cc(O)c(O)c(O)c2)C1 2188920415 VIWSWGYURMZNEE-MWLCHTKSSA-N 323.345 1.417 10 10 DDCE CN[C@H](C)c1cc(F)c(N(C)CCS(C)(=O)=O)c(F)c1 2194714159 LUBIXQJEYOWZNU-SECBINFHSA-N 306.378 1.726 10 10 DDCE NCc1ccc(N2C[C@@H](F)C[C@@H](O)C2)c(F)c1Br 2219164202 GJWCMULCDDUWRT-DTWKUNHWSA-N 321.165 1.956 10 10 DDCE CO[C@@H](C[S@](=O)CC(=O)c1ccc(O)c(O)c1)C(C)C 2284013316 QSQMYUYUSMKULV-VBKZILBWSA-N 300.376 1.700 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CC[C@@](F)(CN)C2)s1 2269090361 LZVBTVNLXIKKDF-UFBFGSQYSA-N 303.428 1.948 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2NCCSC2(C)C)s1 2269097847 HYJJHUMRTMTMLD-VIFPVBQESA-N 317.505 1.965 10 10 DDCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNc1ccccc1O 2293641034 JXNWMSXYRCPRJJ-UHFFFAOYSA-N 323.308 1.971 10 10 DDCE CO[C@@H](CS(=O)(=O)CCOc1ccc(N)cc1)C(C)C 2284036539 IVTVKMIFLSULJK-AWEZNQCLSA-N 301.408 1.733 10 10 DDCE O=S(=O)(C[C@@H]1N[C@@H]2CC[C@H]1C2)Nc1ccc(O)c(F)c1 2355770248 MJXNILZDBGUJKX-SBMIAAHKSA-N 300.355 1.414 10 10 DDCE COc1cccc(CNC(=O)NCCc2nc(C)no2)c1O 174563882 GHHBKMUGYXHFOX-UHFFFAOYSA-N 306.322 1.134 10 10 DDCE CC(=O)N(C(=O)C(=O)Nc1cccc(O)c1)c1ccc(N)cc1 170317224 XAVPLWOFRGFFIE-UHFFFAOYSA-N 313.313 1.493 10 10 DDCE C[C@H]1CCN(S(=O)(=O)CCOc2ccc(N)cc2)C[C@@H]1C 129201834 BQQIOJXVOJIPEZ-STQMWFEESA-N 312.435 1.955 10 10 DDCE C[C@@H](CO)CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 123529336 SUUNKFVIYBNTCN-ZIAGYGMSSA-N 321.421 1.512 10 10 DDCE C[C@H](NCCCn1ccnn1)c1ccc(N2CCOCC2)cc1 184261326 FBCXYEUCLZRBQW-HNNXBMFYSA-N 315.421 1.856 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1nc2ccccc2c(=O)[nH]1 80780653 BFKAAXFFWPKEOU-UHFFFAOYSA-N 311.297 1.264 10 10 DDCE COc1cc(Cl)c(N2C[C@H](C)O[C@@H](CO)C2)c(OC)c1 2368302730 OOZWVIURUFEQLJ-GXSJLCMTSA-N 301.770 1.943 10 10 DDCE COc1cc(N2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])cc1OC 371808029 FRURAEVGQYFWME-LLVKDONJSA-N 323.349 1.133 10 10 DDCE CO[C@@H]1CN(c2ccc([C@@H](C)N)cc2Br)C[C@H]1O 396065568 RJZBCURQJAJMTP-BZHVJNSISA-N 315.211 1.665 10 10 DDCE OC[C@@H](CNCc1cc2c(cc1O)OCO2)c1cccnc1 808431342 RIGXFJAZQJNCJK-CYBMUJFWSA-N 302.330 1.382 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CCCN2C)c1 729051222 NKXQAYDJMSQVDA-RYUDHWBXSA-N 307.394 1.855 10 10 DDCE COC[C@]1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCOC1 825736687 GOGZENHUYPDHGT-BDJLRTHQSA-N 309.362 1.631 10 10 DDCE N=C1NC(=O)/C(=C\c2ccc(N3CCOCC3)c(F)c2)S1 901542635 QKZXNAVKTRJLHD-XYOKQWHBSA-N 307.350 1.801 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CN(C2CC2)CCO1 588404563 JCYLIKDCBBWCEE-OLVMAOTFSA-N 318.373 1.090 10 10 DDCE C[C@@H]1CN(C(=N)NCCCSc2nccs2)CCO1 849008596 KPGDKFPTKLSOGW-SNVBAGLBSA-N 300.453 1.870 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2coc3c2C(=O)NCCC3)c1 913000248 FMJDWPDSHFUBOD-UHFFFAOYSA-N 314.341 1.900 10 10 DDCE C[C@H]1OCC[C@H]1S(=O)(=O)NCc1cc(Cl)ccc1O 845995929 JDRGMAATYWJRKT-PRHODGIISA-N 305.783 1.642 10 10 DDCE CNC1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 844218937 FXLCCWLIZPKBEC-UHFFFAOYSA-N 318.465 1.395 10 10 DDCE COCc1cc(O)ccc1NS(=O)(=O)C[C@@H]1CCCCO1 840915223 MKODJKYYVQXRNK-ZDUSSCGKSA-N 315.391 1.849 10 10 DDCE COc1cc(N(C)CCO[C@H]2CCOC2)cc(OC)c1OC 929708750 YKJUVIZWMYDMRX-ZDUSSCGKSA-N 311.378 1.954 10 10 DDCE C[C@@H]1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C[C@@H]1C 846246199 DTIMWKXCNMSALD-ZJUUUORDSA-N 304.350 1.611 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@@H]1C[C@H]2CCCCN2C1=O 922815401 IVXZSJSGDQUFDH-ZWNOBZJWSA-N 321.352 1.484 10 10 DDCE COC(=O)C[C@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855233595 IUNXNHGNWFDBHQ-STQMWFEESA-N 320.389 1.589 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC[C@H](O)C3CC3)C2)cc1 854301043 GWUPTMVYLOJULM-BBRMVZONSA-N 319.405 1.344 10 10 DDCE CCC[C@](C)(N)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852844719 ZASYVKYYUFRWMX-DYVFJYSZSA-N 305.422 1.908 10 10 DDCE Cc1noc([C@@H]2OCC[C@@H]2NCc2ccc3c(c2)CCO3)n1 858326757 CTGOBHJIZBPNCJ-DZGCQCFKSA-N 301.346 1.933 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(C)nc1OC 935943829 FXJXTARBDDLRSP-UHFFFAOYSA-N 310.350 1.550 10 10 DDCE Cc1ccc(C(=O)O[C@@H]2CCN(C3CCC3)C2=O)c(O)c1O 869374993 NOGMODDINHSVOH-GFCCVEGCSA-N 305.330 1.716 10 10 DDCE C[C@H](NC(=O)NCCCCN1CCOCC1)c1ccccc1O 868102023 HHHAZMRYLPJXRP-AWEZNQCLSA-N 321.421 1.865 10 10 DDCE COC(=O)NCCCNCc1cccc(Br)c1O 1875637211 JRGJLPUMJAGVQC-UHFFFAOYSA-N 317.183 1.990 10 10 DDCE [N-]=[N+]=NCCNS(=O)(=O)C1CC(OCc2ccccc2)C1 1955641240 RRJKZVJACUSNAO-UHFFFAOYSA-N 310.379 1.964 10 10 DDCE OCc1nnn2c1CN(Cc1cc(Cl)c(F)cc1O)CC2 894808182 BFFWILBDVOKCPW-UHFFFAOYSA-N 312.732 1.284 10 10 DDCE Cc1nnc(O)c(CNC(=O)Cc2ccc(O)c(O)c2)c1C 1144065903 MMFDYCYATNJCNL-UHFFFAOYSA-N 303.318 1.069 10 10 DDCE CCS(=O)(=O)NCC(=O)NCc1c(O)ccc2ccccc12 1157041507 HVNVQLXSUWPGLN-UHFFFAOYSA-N 322.386 1.101 10 10 DDCE Cc1cc(C(=O)NCc2c(O)cccc2O)c2c(C)n[nH]c2n1 1178912367 SITJJHOHCUQBAV-UHFFFAOYSA-N 312.329 1.916 10 10 DDCE O=C(O)[C@@H]1C[C@@H]1CNCc1ccc(Br)cc1O 715289213 VAOUVLCFXQHWTM-PSASIEDQSA-N 300.152 1.965 10 10 DDCE COc1ccc(N(C)CCN(C)C[C@@H](O)CC2(O)CCC2)cc1 1335012815 LMIVHTRVLYWOBJ-INIZCTEOSA-N 322.449 1.729 10 10 DDCE Cc1cc(NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1O 182477139 IFOOEZJWGXPZDE-GHMZBOCLSA-N 300.380 1.467 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](CO)c1ccccc1 1446025235 QBOHMARDLPONRE-AWEZNQCLSA-N 301.342 1.533 10 10 DDCE C[C@H](CC[S@@](C)=O)NC(=O)c1ccc(N=NC(N)=O)cc1 1294064717 XYNVRWJHDWNVKJ-AOUSDQRYSA-N 310.379 1.736 10 10 DDCE CC(=O)NC[C@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1464564719 MNZDBDJGOZWUSJ-CYBMUJFWSA-N 306.362 1.015 10 10 DDCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)CCN(C)C)cc1C 1717435006 ATEAAGUZUHEQSO-LSDHHAIUSA-N 321.465 1.938 10 10 DDCE COC(=O)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C1CCCC1 1558394736 POQUIHWSFKUXHM-ZDUSSCGKSA-N 321.373 1.878 10 10 DDCE CCCNC(=O)Cn1c(C)nnc1N(C)Cc1ccccc1O 1728197978 IYXBLLHJHPKMSL-UHFFFAOYSA-N 317.393 1.455 10 10 DDCE CCc1noc(COCC(=O)NCc2cccc(OC)c2O)n1 1630366072 KMZBXJUQSWZAEG-UHFFFAOYSA-N 321.333 1.179 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)Nn2nnc3c2CCCC3)cc1 1646509486 ZRYQYOPQVLLHOJ-UHFFFAOYSA-N 313.321 1.703 10 10 DDCE COC(=O)c1nc(C(=O)NCc2cc(O)ccc2O)cs1 1643881890 JIGVRQDXAYLLJO-UHFFFAOYSA-N 308.315 1.271 10 10 DDCE Cc1ccc(O)c(CNCCC(=O)N2CCCC[C@@H]2CCO)c1 1857864566 VCOZXWHRICLGFI-MRXNPFEDSA-N 320.433 1.944 10 10 DDCE COc1cc(Cl)cc(CN2CCOCCOCC2)c1O 1967885716 SHLZMKVZTCGQQX-UHFFFAOYSA-N 301.770 1.903 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1c1ccc(CN)c(F)c1F 235040949 GQUMHNRVAHIADL-JTQLQIEISA-N 322.402 1.347 10 10 DDCE Cc1ccc(O)c([C@@H](C)N(C)CCS(=O)(=O)N(C)C)c1 2151048574 YMPKJOAGUKKOMJ-GFCCVEGCSA-N 300.424 1.585 10 10 DDCE CN(C)c1ccc([C@@]2(N)COC[C@@H]2NC(=O)OC(C)(C)C)cc1 1977944072 AODODDMAQRTJGY-YOEHRIQHSA-N 321.421 1.830 10 10 DDCE CCN(CC)S(=O)(=O)C[C@H](O)CCc1ccc(N)cc1 2145732778 WOWWPKWYJAEJJJ-CQSZACIVSA-N 300.424 1.234 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1ccc(Cl)cc1O 2146317077 XAXGORJUFCEYTL-AAEUAGOBSA-N 319.810 1.289 10 10 DDCE OCc1ccc(N2C[C@H](CO)C[C@@H]2CO)c(Br)c1 2029385704 RPFCJNKBCCTUDS-GHMZBOCLSA-N 316.195 1.121 10 10 DDCE Oc1ccc(Br)cc1CN1C[C@H]2OCCO[C@@H]2C1 2032422935 CWTIFFPEOUXYMB-CHWSQXEVSA-N 314.179 1.754 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H]3C[C@H]2CS3(=O)=O)cc1Cl 321261392 YWNDGYNFPYXILC-DVVUODLYSA-N 300.811 1.735 10 10 DDCE Nc1ncc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)s1 722213541 RKIHJRFNZSFKPP-UHFFFAOYSA-N 305.768 1.885 10 10 DDCE CCCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(O)cc1O 2170591995 RVKLVNIBCUSCRM-MNOVXSKESA-N 301.408 1.962 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2C[C@H]2CF)cc1 2191352424 GBCVKQJMOZPIPA-WDEREUQCSA-N 302.371 1.173 10 10 DDCE OC[C@H](O)C1(NCc2cc(Br)cc(F)c2O)CC1 2069746347 GVCCFLGXKVCUDN-JTQLQIEISA-N 320.158 1.269 10 10 DDCE O=S1(=O)CC[C@H]2CN(c3ccc(CO)cc3Cl)C[C@@H]21 2088785359 XIDKGXLXBWDIKK-GWCFXTLKSA-N 301.795 1.456 10 10 DDCE CSc1ncc(CNC(=O)NO[C@H](C(=O)O)C2CC2)s1 2284545258 XOBASEIJESFODZ-QMMMGPOBSA-N 317.392 1.459 10 10 DDCE CSc1ncc(CN=c2[nH]c(=N)[nH]c3c2COCC3)s1 2284724335 PBAQTMHBBXOSBV-UHFFFAOYSA-N 309.420 1.174 10 10 DDCE OCc1ccc(N2CC[C@@H](O)[C@H](O)CC2)cc1Br 2256971649 ZYECDHUMIVIXIS-CHWSQXEVSA-N 316.195 1.263 10 10 DDCE CSc1ncc(CNC(=O)N2[C@@H](C)CNC[C@H]2C)s1 2269091650 ZCGJTRZUBPMNPJ-DTORHVGOSA-N 300.453 1.757 10 10 DDCE CSc1ncc(Cn2c(O)nc(O)c(C3CC3)c2=O)s1 2284664896 IHTFCPIRDVPHQV-UHFFFAOYSA-N 311.388 1.759 10 10 DDCE Nc1ccc(N2C(=O)[C@@H]3COC[C@H]3C2=O)c(Br)c1 2316476866 YZDVHFDAAVXXGK-HTQZYQBOSA-N 311.135 1.167 10 10 DDCE Cc1ccc(CNCCc2nc[nH]n2)c(O)c1Br 2327619836 XVSWPEMHJVEOBF-UHFFFAOYSA-N 311.183 1.914 10 10 DDCE CCCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2358570634 QXOZECOCPBQBBX-AEJSXWLSSA-N 303.388 1.052 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)Nc1nnc(C(F)(F)F)[nH]1 180966618 YLHPAHZFUOQXCY-DUXPYHPUSA-N 314.223 1.887 10 10 DDCE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 70490510 FJJZIXXAIOHECU-CHWSQXEVSA-N 312.435 1.955 10 10 DDCE CN(C)C[C@](C)(O)CNCc1cc(Cl)cc([N+](=O)[O-])c1O 131343569 ALGZWDGYWGEESH-CYBMUJFWSA-N 317.773 1.356 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1ccc(F)c(N)c1 40335342 KHBMPEBFKOVRTF-UHFFFAOYSA-N 310.350 1.934 10 10 DDCE C[C@@H](O)CN1CCC(CN(C)C(=O)c2cccc(O)c2O)CC1 193120273 GMYRXCVLCFEQDF-GFCCVEGCSA-N 322.405 1.263 10 10 DDCE COc1ccc(N(C)[C@]2(CN)CCC[C@@H]2S(C)(=O)=O)cc1 86677021 DZYPXKDVOFANLD-GJZGRUSLSA-N 312.435 1.426 10 10 DDCE O=S(=O)(C(F)F)[C@@H]1CCN(Cc2cc(F)ccc2O)C1 2368507474 YKZYWFIMPYRGDW-SNVBAGLBSA-N 309.309 1.743 10 10 DDCE CCC(=O)N(C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1508927097 FKTBDRDJJQKEIP-JTQLQIEISA-N 319.365 1.836 10 10 DDCE CCn1nnc(C)c1C(=O)N[C@H](C)c1cc(OC)ccc1O 825737297 YJHIOUFDGPTBLG-SECBINFHSA-N 304.350 1.812 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCN3C(=O)OC[C@@H]3C2)cc1 835025176 GLSHKKNZMRMHNV-QGZUEGPWSA-N 301.390 1.902 10 10 DDCE O=C(NC1CC(N2CCCCC2)C1)c1c(F)ccc(O)c1O 830996442 ZZIPVNNUFWIRDB-UHFFFAOYSA-N 308.353 1.984 10 10 DDCE C[C@H](CNC(=O)NCc1c(O)cccc1F)Cn1cccn1 914320513 IZKZYPCQNYRANK-LLVKDONJSA-N 306.341 1.863 10 10 DDCE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCCc2ccc(N)cc2)CC1=O 841856404 NOTKWEDCTWEDPC-BYCMXARLSA-N 316.405 1.120 10 10 DDCE CN1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)CCC1=O 845005651 ZNGSOANCQPEMEX-NSHDSACASA-N 311.769 1.466 10 10 DDCE CN(C[C@H](O)COC[C@@H]1CCCO1)c1ccc2c(c1)OCO2 756646438 WQHSOOTVUMJLLV-KBPBESRZSA-N 309.362 1.408 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H](O)C23CCC3)cc1 853244162 FQMPDBURFWAHPT-LSDHHAIUSA-N 303.406 1.855 10 10 DDCE COC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CCOCC1 855290986 IGICCMZRRDHVDN-KQIUPUNMSA-N 321.373 1.669 10 10 DDCE COc1cccc(CN[C@@H](C)CN(C)CCCN(C)C)c1O 850354203 YABCFWKXAOQYHG-AWEZNQCLSA-N 309.454 1.762 10 10 DDCE COc1ccc(CNCc2nc(O)c3c(n2)CCOC3)cc1C 865867522 NVNIIDZOICXDJL-UHFFFAOYSA-N 315.373 1.862 10 10 DDCE COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)O1 860949653 CEHHUGQPBLFJIE-GLQYFDAESA-N 320.389 1.650 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CC[C@H]3CSC[C@@H]3C2)cc1 868309313 JIMIOPFXXFXZQK-QWRGUYRKSA-N 305.403 1.419 10 10 DDCE COC(=O)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 768459647 FNPSDGWHCVAKHX-HNNXBMFYSA-N 304.390 1.518 10 10 DDCE O=C(C[C@@H]1CCCS(=O)(=O)C1)N1Cc2cccc(O)c2C1 1118995062 BXAJEFNFWXWLRM-NSHDSACASA-N 309.387 1.449 10 10 DDCE CN(C)c1nccc2c1N(C(=O)/C=C\c1cnccn1)CCC2 894153456 JAWVAOIWVOHZDJ-WAYWQWQTSA-N 309.373 1.930 10 10 DDCE COc1cc(N(C)CCn2cnnc2)c([N+](=O)[O-])cc1OC 1164046488 KRESQYDLKMGEEH-UHFFFAOYSA-N 307.310 1.340 10 10 DDCE O=C(C(=O)N1CCO[C@@H]2CCC[C@@H]21)N1Cc2cccc(O)c2C1 1329449816 OCVXRMOKPQCIOE-DZGCQCFKSA-N 316.357 1.014 10 10 DDCE CCOC(=O)CCS(=O)(=O)N(CC)c1ccc(N)cc1 63114394 RWGFDENPBRNXLX-UHFFFAOYSA-N 300.380 1.378 10 10 DDCE C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)[C@@H]1CN(C)CCN1C 1519902350 LXRNJPXAHFGVMN-DOMZBBRYSA-N 318.421 1.052 10 10 DDCE CCN(CC(=O)NCc1cccc(O)c1O)C(=O)OC(C)(C)C 1528771642 SGYOCNKYOPUCST-UHFFFAOYSA-N 324.377 1.971 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(CO)n1 1466790492 HEQOFNRWNQBMHJ-MRVPVSSYSA-N 308.359 1.408 10 10 DDCE C[C@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)[S@@](C)=O 1465783916 VWIPITXVGZUZJC-AOUSDQRYSA-N 310.379 1.736 10 10 DDCE CCOC(=O)Cc1nnc2cc(N(CC)C(C)=O)ccc2n1 1616047978 MRVXBWKAABUPKM-UHFFFAOYSA-N 302.334 1.503 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cccc(-n2cccn2)n1 1557084697 KTXOUAOUQHEISE-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)C2CC=CC2)cc1C 1716082575 MCFQXZQFHNRQRB-MRXNPFEDSA-N 318.417 1.537 10 10 DDCE CC[C@H](C)C(=O)N(C)C[C@H](O)CNCc1ccc(OC)c(C)c1 1486262221 VJLTZTHUJOUOJU-XJKSGUPXSA-N 322.449 1.959 10 10 DDCE Cn1ccnc1[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CCO1 1556988415 KTKVHSHNGGPUHI-GXFFZTMASA-N 317.345 1.481 10 10 DDCE CCCS(=O)(=O)CC(=O)NCc1c(O)ccc2ccccc12 1558554827 WIHNCHIHKOJEFI-UHFFFAOYSA-N 321.398 1.986 10 10 DDCE O=C(NCc1c(O)cccc1F)c1ccccc1-n1cnnn1 1638858278 OOMOPUHLZOQERW-UHFFFAOYSA-N 313.292 1.437 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CC[C@H](C(F)(F)F)O1 1637776851 STRMYTHSIHJPOG-JOYOIKCWSA-N 319.279 1.866 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cn(-c2cccnc2)nn1 1631434138 KZOYVJAKQHGYRD-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc2nc(CO)[nH]c2c1 1644753988 MNDXGJPISIAHKK-UHFFFAOYSA-N 313.313 1.396 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cncc(-n2ccnn2)c1 1652298902 SXFZOFLCWABAOV-UHFFFAOYSA-N 313.292 1.437 10 10 DDCE Nc1ccc(-n2nnc(C(=O)Nc3ccc4c[nH]nc4c3)n2)cc1 1857878980 QTWPKIIAEGZBDC-UHFFFAOYSA-N 320.316 1.373 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](N)C[C@H]1c1cc(O)nc(O)c1 1952675736 CFOUISAVIUHVPO-QWRGUYRKSA-N 309.366 1.892 10 10 DDCE N[C@H]1C[C@@H](O)CN(Cc2cc(Br)ccc2O)C1 1971880551 MHDCKCPRUCJKEK-WDEREUQCSA-N 301.184 1.049 10 10 DDCE C[C@H]1CN(c2ccc(CN)c(Cl)c2)C[C@H](C)S1(=O)=O 400837728 IULYNGJIZNXNNP-UWVGGRQHSA-N 302.827 1.811 10 10 DDCE CN1CC[C@H](N(C)c2ccc(CO)c(Br)c2)C1=O 690130773 KLXXJBPSGMBLGW-LBPRGKRZSA-N 313.195 1.608 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC[C@H](C(F)(F)F)C2)cc1 380217098 ISRNDWJRNWUACA-JTQLQIEISA-N 308.325 1.983 10 10 DDCE C[C@H](O)[C@@H](O)CNCc1cc(Br)cc(F)c1O 715748045 YQDHHBAJXFYECY-WKEGUHRASA-N 308.147 1.125 10 10 DDCE COc1ccc(O)c([C@@H](C)n2ncc(S(C)(=O)=O)c2O)c1 2070260458 ZSGNLCXEPSDRAU-MRVPVSSYSA-N 312.347 1.316 10 10 DDCE C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@H](C)[C@H]2C)c(F)c1 2170278529 TYWDYAGXJSVTNI-HBNTYKKESA-N 300.399 1.857 10 10 DDCE C[C@@H](N)c1ccc(N2CC(=O)N[C@@H]3CC[C@H]32)c(Br)c1 2112059158 VQTJJTMIZPOVLX-XTWCZFFVSA-N 324.222 1.936 10 10 DDCE COc1cccc(O)c1CNCCS(=O)(=O)C(F)(F)F 2232494764 JIGKQHHLBCVEEG-UHFFFAOYSA-N 313.297 1.425 10 10 DDCE C[C@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CO)cc1F 2279422954 KEHJAMQLPSOULR-CMPLNLGQSA-N 301.383 1.720 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H](C)COCC(=O)O)s1 2284506150 BZSODNVCRPQOJW-ZETCQYMHSA-N 319.408 1.154 10 10 DDCE CC1=NN(c2ccc3nncn3n2)C(=O)C1=CNc1ccccc1 2296890036 MNQXHIDZCZLPEW-UHFFFAOYSA-N 319.328 1.843 10 10 DDCE C[C@H](O)[C@H](C(=O)O)N1C(=O)C(=Cc2ccccc2)SC1=S 2323823744 JKLFVMXMZRVBBP-GZMMTYOYSA-N 323.395 1.722 10 10 DDCE Cc1ccc(CNC(=O)[C@H](C)C(=O)O)c(O)c1Br 2327630460 JRHZTAPDEWNHHI-ZETCQYMHSA-N 316.151 1.800 10 10 DDCE COC[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 103382422 TWCJGVOJVWXACK-GFCCVEGCSA-N 310.369 1.561 10 10 DDCE Cc1nc(CNC(=O)NCc2ccc(N3CCCC3)cc2)no1 175640408 HZZJHEQVPASBHI-UHFFFAOYSA-N 315.377 1.978 10 10 DDCE Cc1ccnc(NS(=O)(=O)CCOc2ccc(N)cc2)c1 70490542 ATNCGHFGZAUUJQ-UHFFFAOYSA-N 307.375 1.793 10 10 DDCE Oc1c(Br)cccc1CNCCCc1nnc[nH]1 80567333 FCGPAPRWRQWYIN-UHFFFAOYSA-N 311.183 1.995 10 10 DDCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)N(CCO)C1CC1 255778299 UFTFVKDVMYOBAC-BAQGIRSFSA-N 316.401 1.520 10 10 DDCE Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c(O)c1O 370358962 KMRBLFAIGQOGEK-WCQYABFASA-N 318.373 1.537 10 10 DDCE CCOCCNC(=O)NCc1cc(Br)ccc1O 804945125 QRNGSSCJWQJUIT-UHFFFAOYSA-N 317.183 1.990 10 10 DDCE C[C@@H](N[C@@H]1CCC(=O)N(C)C1=O)c1cc([N+](=O)[O-])ccc1O 818360782 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1.938 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC(O)(C3CC3)C2)c([N+](=O)[O-])c1 1320589214 IBVLFVZPPIDNQF-CLTKARDFSA-N 318.329 1.742 10 10 DDCE CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(C)C2=O)cc1 578785 XSRFMIXKLRNIMR-RAXLEYEMSA-N 317.414 1.789 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1n[nH]cc1Br 1451754394 JJXQDVNGYXJZLA-UHFFFAOYSA-N 312.123 1.513 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)[C@@H]1COc2ccc(O)cc2O1 1545639418 NUZPTCRLFQYJHA-HNNXBMFYSA-N 317.297 1.260 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1cnc2c(c1)CNC2=O 1653586602 PNBBPBRKQCYWLK-RQOWECAXSA-N 311.297 1.388 10 10 DDCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)Cc1ccccc1 1596905774 WTWOHCZNPOKJBC-MLGOLLRUSA-N 315.369 1.749 10 10 DDCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@H](C)N(C)C 1762515914 PERMMWCMIMYTLV-LBPRGKRZSA-N 303.410 1.879 10 10 DDCE O=C(N[C@@H]1CCCCC12OCCO2)c1cc(O)c(O)c(O)c1 2132399478 GADLWOUOKUVALK-GFCCVEGCSA-N 309.318 1.219 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl 2144164671 KNXFTWLIAZZBSM-MXWKQRLJSA-N 315.822 1.874 10 10 DDCE 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CN1CCC[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1=O 295130530 HYBZALAJKVMNRC-CYBMUJFWSA-N 317.389 1.346 10 10 DDCE CC(=O)C(=O)COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 808536852 WWWZLGGXFJGEMC-LLVKDONJSA-N 313.350 1.381 10 10 DDCE COC(=O)c1cnc(SC[C@H](C)CS(C)(=O)=O)s1 829681093 NOULWBQSDCAUJH-ZETCQYMHSA-N 309.434 1.703 10 10 DDCE c1cc(N2CCCCC2)ccc1CN1CCNCCNCC1 904398225 NZOZYMQCCJZQRH-UHFFFAOYSA-N 302.466 1.672 10 10 DDCE C[C@H](N[C@H]1C[C@@H](C(N)=O)C1)c1ccc(N2CCOCC2)c(F)c1 846188426 GBQFPJUFFOETFW-FPMFFAJLSA-N 321.396 1.577 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCCN=S1(=O)CCCC1 912039894 QRVAUSMLQQWYIT-XQRVVYSFSA-N 324.402 1.489 10 10 DDCE C[C@@H]1CN(C(=N)NCc2ccc3c(c2)CCCN3C)CCO1 848999005 VBFJZGHIRYUGBO-CYBMUJFWSA-N 302.422 1.814 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCNC[C@](C)(F)C2)cc1 844226018 YSTOCSWBUJNWPN-KRWDZBQOSA-N 322.428 1.002 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)CCCO)C2)cc1 853846982 ZPLXVBAWVIHTNG-KGLIPLIRSA-N 321.421 1.734 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)/C=C/c3ccncn3)C2)cc1 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CCOc1ccc(NC(=O)c2cccc(O)c2O)c(C(N)=O)c1 1618061276 BECHYFNFDXFISK-UHFFFAOYSA-N 316.313 1.848 10 10 DDCE CS[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1N(C)C 1624322597 GBYDCYJRBWYCDO-FZMZJTMJSA-N 310.419 1.144 10 10 DDCE CCC(=O)N1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1638505879 BQPADIMYHYTYPB-UHFFFAOYSA-N 303.322 1.501 10 10 DDCE C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)Cc1ccc(O)c(O)c1 1634893663 NHMUBYWRUNRTQN-TZMCWYRMSA-N 304.390 1.726 10 10 DDCE COc1cc(CCNC(=O)NCc2c(O)cccc2F)ccn1 1637504041 MTEMKNSSBDTIOX-UHFFFAOYSA-N 319.336 1.977 10 10 DDCE CCOc1ccc(N2CCN(C(=O)[C@H]3CCN3CC)CC2)cc1 1632157777 BVBDEJMJIFDKHU-QGZVFWFLSA-N 317.433 1.828 10 10 DDCE CS[C@H](C)CCNS(=O)(=O)CCOc1ccc(N)cc1 130360726 ADHNQVCEGWIEMF-LLVKDONJSA-N 318.464 1.709 10 10 DDCE N[C@H](c1cc(I)ccc1O)C1(O)CC1 1952418523 MCRBQBSWTBNVPM-SECBINFHSA-N 305.115 1.522 10 10 DDCE CN(Cc1nnnn1Cc1ccccc1)c1ccc(CN)cc1 1977069271 CHGSHMWEXLPGOI-UHFFFAOYSA-N 308.389 1.817 10 10 DDCE C[C@@H](N)c1ccc(N2CCC[C@H](S(C)(=O)=O)C2)c(F)c1 312917978 CIHZYKTZDRKXDJ-PWSUYJOCSA-N 300.399 1.859 10 10 DDCE CC(C)C[C@@H](CO)CNS(=O)(=O)Cc1ccc(N)cc1 2177251554 PPWBUNWNHNPMSH-CYBMUJFWSA-N 300.424 1.343 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H]3C[C@@H]3c3cccnc3)c2n1 2062909524 ACSVHEPFRFQWKJ-YPMHNXCESA-N 309.329 1.424 10 10 DDCE CC(C)O[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H]1CN=[N+]=[N-] 2179611012 CCYGFIRUZQGISC-GRYCIOLGSA-N 302.400 1.352 10 10 DDCE Oc1ccc(Br)cc1CNCC[C@H]1COC[C@@H]1O 2048706816 PZXLIKCEZXUMGH-ZANVPECISA-N 316.195 1.642 10 10 DDCE O=C1N[C@H]2CN(c3ccc(CO)cc3Br)C[C@H]2O1 2056810678 BPMNERXMDKTREM-GXSJLCMTSA-N 313.151 1.238 10 10 DDCE N[C@H]1CCN(Cc2ccc(Br)cc2O)C[C@H]1CO 2058542311 PJQDMEZLMGKXNN-JQWIXIFHSA-N 315.211 1.296 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN1CCOCC12CNC2 2111338601 ZPMHGCGBIYRZOU-UHFFFAOYSA-N 303.189 1.873 10 10 DDCE CN(C[C@@H]1CCS(=O)(=O)C1)c1ccc(CN)cc1Cl 2092354303 XOOWSGVOTOHJHT-NSHDSACASA-N 302.827 1.670 10 10 DDCE Cn1nc(Br)c(CNCc2ccc(F)cc2O)n1 2208577934 MGHXNJOKNMZSDW-UHFFFAOYSA-N 315.146 1.712 10 10 DDCE CN(C(=O)c1nn(C)nc1Br)c1ccc(N)cc1 2219805675 KMQMLLNPBHXAIJ-UHFFFAOYSA-N 310.155 1.436 10 10 DDCE COc1ccc(N2CCSC[C@H]2S(C)(=O)=O)c(CO)c1 2235999002 DOZRPYCVWNSXBZ-CYBMUJFWSA-N 317.432 1.111 10 10 DDCE NN1C(=O)C(=Cc2ccc(OCC(=O)O)cc2)SC1=S 2294874658 MNAVCNCKEUJBTO-UHFFFAOYSA-N 310.356 1.225 10 10 DDCE CN(Cc1cc(Br)ccc1O)[C@H]1CNC[C@@H]1F 2303704273 VGLGPNVXGOTFDR-QWRGUYRKSA-N 303.175 1.896 10 10 DDCE Cc1ccc(CNCCOCC(N)=O)c(O)c1Br 2327623875 LYXVPCJRPDWBDZ-UHFFFAOYSA-N 317.183 1.055 10 10 DDCE Cc1ccc(CNCCn2ccnn2)c(O)c1Br 2327621348 MGWZJMMUNXVIFB-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE CC(=O)NC1CN(Cc2ccc(C)c(Br)c2O)C1 2327602309 HGJHTAPPSZZFSA-UHFFFAOYSA-N 313.195 1.783 10 10 DDCE CCCC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 102947056 DJEYUYQOFSQPGS-UHFFFAOYSA-N 305.422 1.734 10 10 DDCE CN(Cc1cnn(C)c1)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 118705703 MWLASXKNKSVAIM-ZDUSSCGKSA-N 305.769 1.662 10 10 DDCE Nc1ccc(O)c(CNc2ccc(S(N)(=O)=O)cc2F)c1 71391285 MXDSLSLSUZURIE-UHFFFAOYSA-N 311.338 1.373 10 10 DDCE C[C@]1(CO)CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 132626155 FMZCOVYOAQQQSH-HNNXBMFYSA-N 321.333 1.525 10 10 DDCE CC(C)(O)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255000616 BSGFKTPNUNUGSX-YVMONPNESA-N 304.390 1.424 10 10 DDCE C[C@H](N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1O 368211629 HUUOYIHZOYNJQW-XHDPSFHLSA-N 322.380 1.962 10 10 DDCE Cc1cc(C(=O)CN(C)CC(N)=O)c(C)n1-c1ccc(F)cc1 263748973 SFCWJULBZFFTFM-UHFFFAOYSA-N 317.364 1.833 10 10 DDCE COC(=O)[C@H]1COCCN1Cc1cc(Cl)c(F)cc1O 295262571 HASULYOMMUAHIU-LLVKDONJSA-N 303.717 1.559 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(OCC(F)(F)F)n1 808520268 NUKVZMGKNHDSLE-UHFFFAOYSA-N 305.208 1.338 10 10 DDCE CC(=O)C(=O)COC(=O)COCc1nc2ccccc2s1 808496968 DZGGKACXXXVFLK-UHFFFAOYSA-N 307.327 1.514 10 10 DDCE CO[C@@H]1COCC[C@H]1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 295694777 INXDBMUFGOHYPP-PVXIVEMSSA-N 323.389 1.587 10 10 DDCE COC[C@H](N)[C@H](N)c1ccc(OCc2ccccc2)cc1O 713798803 LBXJZZWFKAIPCG-DOTOQJQBSA-N 302.374 1.945 10 10 DDCE CN(Cc1ccccc1O)C(=O)CN1C(=O)Cc2ccccc21 816889070 LOMALUDCXKXRCP-UHFFFAOYSA-N 310.353 1.940 10 10 DDCE CCO[C@@H]1C[C@H](NC(=O)c2cc(O)cs2)[C@@H]1n1cccn1 832932802 ABGDMJYRBQACIN-LOWVWBTDSA-N 307.375 1.799 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C[C@H](N)C(C)(C)C1 903556126 NQEHGLBDPZDKFM-INIZCTEOSA-N 318.465 1.380 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@H]2CCCS(=O)(=O)C2)cc1 835039014 AAQMZNBWRQXHMP-UJAVWCLSSA-N 308.447 1.933 10 10 DDCE O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@](O)(CO)C2)c1O 839152884 CLMNOUSWWLJFAZ-CYBMUJFWSA-N 316.741 1.273 10 10 DDCE O=S(=O)(NCc1ccccc1O)c1ccnn1CC1CCC1 914140678 MCBCYCNLWCXHMT-UHFFFAOYSA-N 321.402 1.867 10 10 DDCE COc1cccc(CNC(=O)N[C@H](CN)C(F)(F)F)c1O 848595003 IYWCTZJFIVAJRM-SECBINFHSA-N 307.272 1.090 10 10 DDCE O=C(C[C@H]1CC(=O)N1)NCc1cc(Br)ccc1O 854442184 JKMUCRHHKBPEEU-VIFPVBQESA-N 313.151 1.050 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1c[nH]nc1[C@H]1CCNC1 852789984 MUZBAUKEKCXZHN-NSHDSACASA-N 300.362 1.464 10 10 DDCE CCO[C@H](CN[C@H](C)c1cc(C(=O)OC)ccc1O)CN(C)C 926960908 NNIGJRNTZUAVKO-TZMCWYRMSA-N 324.421 1.796 10 10 DDCE Nc1ccc(CCNS(=O)(=O)c2cnn(C3CCC3)c2)cc1 923636970 SFICBTBTYSSHMB-UHFFFAOYSA-N 320.418 1.711 10 10 DDCE C[C@@H](NC(=O)N1CC[C@@]2(O)C[C@H]2C1)c1ccc(N(C)C)cc1 854004196 PGAHAXXFSKQXJW-HACGYAERSA-N 303.406 1.980 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)CO)C2)cc1 854299229 GVDDPOWEUQBVGV-ZDUSSCGKSA-N 321.421 1.592 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](O)[C@H](C)O 871128898 NCGYGMRJILPBOX-AAEUAGOBSA-N 308.403 1.627 10 10 DDCE O=C(NCc1ccccc1O)C(=O)Nc1ccc2nccn2c1 774195862 DLRMRALBBOKHTQ-UHFFFAOYSA-N 310.313 1.295 10 10 DDCE COCCCOC1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 779487242 BFUDIJVUJUDRDA-XQRVVYSFSA-N 307.346 1.375 10 10 DDCE COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1c(O)cccc1OC)C2 793345967 LIRAGPFXWMLIQZ-YVEFUNNKSA-N 321.373 1.412 10 10 DDCE CC(=O)NCc1ccc(CNC(=O)c2cccc(O)c2O)cc1 1166209952 KBGYABBFSASRBL-UHFFFAOYSA-N 314.341 1.664 10 10 DDCE C[S@@](=O)c1ccc(C(=O)NCc2cc(O)ccc2O)cc1 1176748599 XJEUROCGCGAMOG-OAQYLSRUSA-N 305.355 1.765 10 10 DDCE Cc1ccc(O)c(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 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10 10 DDCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1c(OC)nsc1OC 1912153426 BLWTVZUHBUWQTP-ZETCQYMHSA-N 301.328 1.274 10 10 DDCE CS(=O)(=O)c1ccsc1[C@@H](O)[C@@H](N)c1ccccc1O 1912414171 GYGCKSWHOQDQGD-RYUDHWBXSA-N 313.400 1.591 10 10 DDCE C[C@@H](NC(=O)N[C@H](C)c1nnnn1C1CC1)c1ccccc1O 1684822474 KLVGOJVUBSNNHD-NXEZZACHSA-N 316.365 1.835 10 10 DDCE C[C@H]1SC(=S)N(CCC(=O)NCCc2ccccc2)C1=O 11636015 GQABKCOICHTSER-LLVKDONJSA-N 322.455 1.984 10 10 DDCE CCNCc1ccc(N2CCOC[C@@H]2C(=O)NC)c(Cl)c1 160154518 UGZASZKETGZJAD-CQSZACIVSA-N 311.813 1.401 10 10 DDCE Nc1ccc(OCCN2CCC[C@H](NC(=O)C3CC3)C2)cc1 586061620 BIGSXJPBBSITFU-HNNXBMFYSA-N 303.406 1.638 10 10 DDCE OC[C@@H]1CO[C@H](CNCc2cccc(Br)c2O)C1 1967894923 IENSGICSTGAVDL-KOLCDFICSA-N 316.195 1.642 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NCc1ccc(N)cc1 1930405122 QISHVPDTHZFYCL-KBPBESRZSA-N 307.394 1.651 10 10 DDCE O=C1CNC[C@@H](c2cc(Cl)cc(Br)c2O)N1 1952155331 KMSXZKNLCBTUDO-QMMMGPOBSA-N 305.559 1.569 10 10 DDCE CNC1CN(c2ccc(OC)c(Br)c2OC)C1 1999238258 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C[C@@H](CN(C)C)NCc1cc(Br)c(O)cc1O 2248029065 TZMLSMCJDYZGDW-QMMMGPOBSA-N 303.200 1.900 10 10 DDCE COC(=O)N[C@@H](C)CNCc1cc(Br)ccc1O 2261503239 ICENPRFJFKAVHD-QMMMGPOBSA-N 317.183 1.989 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2cccnc2N)s1 2269136171 XRODAADZYCLJEW-UHFFFAOYSA-N 316.433 1.321 10 10 DDCE CSc1ncc(CN2C(=O)[C@H](C3CC3)NC(=O)[C@H]2C)s1 2284666210 OGDGSWMMSHQKFE-XCBNKYQSSA-N 311.432 1.491 10 10 DDCE Cc1ccc(CNC(=O)[C@@]2(N)C[C@@H]2C)c(O)c1Br 2327595785 HXRALRMWZWQYIO-ISVAXAHUSA-N 313.195 1.817 10 10 DDCE Cc1ccc(CN2C[C@@H](CO)[C@@H](O)C2)c(O)c1Br 2327796391 GRFRLRHMDYRBAE-QWRGUYRKSA-N 316.195 1.248 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@@H](S(=O)(=O)CCCCN=[N+]=[N-])C1 2342109105 SYOIINZGHGIKTN-NXEZZACHSA-N 309.413 1.457 10 10 DDCE COC(=O)[C@H](Cc1ccc(N)cc1)N1C(=O)c2ccccc2C1=O 2048615 HEQYNNGKACVVTH-HNNXBMFYSA-N 324.336 1.649 10 10 DDCE CC[C@@H](C)N1C(=O)/C(=C\NC[C@@H]2CCCO2)C(=O)N=C1S 103112256 CHLNUKPEYHOJNV-ITYVAHBBSA-N 311.407 1.092 10 10 DDCE CC(=O)N(C(=O)C(=O)Nc1cc(C)on1)c1ccc(N)cc1 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COc1ccc(CNC(=O)COC(=O)c2cc(O)cs2)cc1 731911581 MOADVEXOFBEEQM-UHFFFAOYSA-N 321.354 1.936 10 10 DDCE CN(C)c1ccc(CNC(=O)NCC[C@@H]2CNC(=O)C2)cc1F 915367002 UOHZMDHUTGKODR-LBPRGKRZSA-N 322.384 1.217 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](N3CCC3)C2)cc1 912901455 DESKPWGHTFPARQ-CYBMUJFWSA-N 301.350 1.769 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCN3C[C@H](O)C[C@H]3C2)cc1 848926090 LBGGFFCYYBAFBA-UYLIBMQOSA-N 301.434 1.517 10 10 DDCE Oc1ccccc1CN(C[C@@H]1CCCO1)C[C@@H](O)C1(O)CCC1 929971576 PIINYIKGVXXHNL-DOTOQJQBSA-N 321.417 1.649 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cc(O)n(C)n3)C2)cc1 855227559 XVHWFJLICHWWCD-LLVKDONJSA-N 316.361 1.143 10 10 DDCE CCO[C@@H]1C[C@@H](NC(=O)NCc2c(O)cccc2F)[C@H]1OC 922065947 OPOSXVNWZPBPQP-MRVWCRGKSA-N 312.341 1.523 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3C[C@H]4C[C@H]4N3)C2)cc1 852900397 KZEIBFWVFQCDRP-BHTHQVBYSA-N 301.390 1.141 10 10 DDCE COc1ccc(N2CCN(C[C@@H](OC)[C@@H]3CCOC3)CC2)cc1 851714697 TWJARHBEGJRXNK-CRAIPNDOSA-N 320.433 1.869 10 10 DDCE CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N[C@@H](C)c1ccccc1O 868463228 IUQUVSNVNXZXDX-CYZMBNFOSA-N 305.378 1.667 10 10 DDCE CCS(=O)(CC)=NS(=O)(=O)N1Cc2cccc(O)c2C1 867690718 KZVIZVQAKROQLF-UHFFFAOYSA-N 318.420 1.460 10 10 DDCE COC(=O)[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@@H](C)O1 862487099 LZGNGIZKQWHAIL-OQPBUACISA-N 317.744 1.947 10 10 DDCE COC(=O)c1cc(C(=O)N2Cc3cccc(O)c3C2)n(C)n1 871208055 XNADPEUOKZDJRH-UHFFFAOYSA-N 301.302 1.068 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)c1O 774841147 NYVBIIQKNZGLRG-GXSJLCMTSA-N 323.349 1.395 10 10 DDCE COC(=O)/C=C\c1ccc(N2C[C@@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])c1 782408722 UUOYSVNFMPOBPE-DFHOYPMSSA-N 318.329 1.600 10 10 DDCE NC(=O)c1ncccc1C(=O)NCCCSc1nccs1 787348989 CNVLXRWXZDFFTI-UHFFFAOYSA-N 322.415 1.549 10 10 DDCE CCOc1cccc(CNC2(C(=O)NC)CCOCC2)c1O 895883077 APUWQOXXMJZMAL-UHFFFAOYSA-N 308.378 1.176 10 10 DDCE COC(=O)[C@@]1(O)CCN(C/C=C\c2ccc(N(C)C)cc2)C1 895701512 AEBCFAHTRDGSPL-VGOKWCNXSA-N 304.390 1.376 10 10 DDCE O=C1Cc2c(C(=O)NCc3cc(Cl)ccc3O)ccnc2N1 1146233101 QKJZYZUCVFQFSK-UHFFFAOYSA-N 317.732 1.865 10 10 DDCE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043220 OEYDOBXSZCUHTG-ZPFDUUQYSA-N 310.394 1.507 10 10 DDCE O=S(=O)(NCCNCc1c(O)cccc1Cl)C(F)F 1964071330 SFZLVDINXHMCQL-UHFFFAOYSA-N 314.741 1.277 10 10 DDCE CN(C)c1ccc(CNC[C@@H](O)CNC(=O)OC(C)(C)C)cc1 1963325096 IQCAUNGXDFKZLO-OAHLLOKOSA-N 323.437 1.728 10 10 DDCE CC(C)[C@@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1329847338 JTJSDGOROAAPKF-GFCCVEGCSA-N 302.374 1.739 10 10 DDCE C=CS(=O)(=O)CCC(=O)N1CCOc2cc(N(C)C)ccc21 1337959034 RKCPILRBMDPNPE-UHFFFAOYSA-N 324.402 1.426 10 10 DDCE CC(C)[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)C(C)(C)O 1194177382 WUFWFWWSYRZBCS-KRWDZBQOSA-N 321.465 1.754 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cc2n(n1)CCC[C@H]2O 1465953434 GOHUDYBSFPYQGT-GFCCVEGCSA-N 303.318 1.052 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(C)nc1Cl 1632680871 HDKQRKHNLYSHKD-QMMMGPOBSA-N 309.753 1.846 10 10 DDCE 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CCCc1nsc(N(CC(N)=O)Cc2ccc(N)cc2)n1 87642948 FZVYQTLCXRLRQR-UHFFFAOYSA-N 305.407 1.565 10 10 DDCE C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1CO 249005372 ZJDUYAYQHMYWAK-YOEHRIQHSA-N 319.449 1.414 10 10 DDCE C[C@@H](N)c1ccc(N2CCC[C@H]2C(N)=O)cc1Br 700388503 DPYVMYPIOLYGEM-PELKAZGASA-N 312.211 1.923 10 10 DDCE CCOCCOCCOCCS(=O)(=O)CCCN=[N+]=[N-] 2240407464 FIKMOMGYIVVRIT-UHFFFAOYSA-N 309.388 1.171 10 10 DDCE CC(=O)C(=O)COC(=O)C1CCC(NC(=O)C(C)(C)C)CC1 808545574 GKYDEWDUEKCPRG-UHFFFAOYSA-N 311.378 1.409 10 10 DDCE O=C1Nc2cc(N3CCS[C@H](CO)C3)c(Cl)cc2[C@@H]1O 720037971 OGNPLGAGKMBKBQ-MADCSZMMSA-N 314.794 1.240 10 10 DDCE CN(CCF)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 823524522 VWLIXOFUEKOWLJ-UHFFFAOYSA-N 309.385 1.759 10 10 DDCE CN1CCC[C@](O)(CC(=O)NCc2ccc(N(C)C)c(F)c2)C1 900435036 WNDNDGVKFQWPBI-KRWDZBQOSA-N 323.412 1.355 10 10 DDCE CC[S@@](=O)CCNC(=O)N[C@@H](C)c1cc(OC)ccc1O 735114187 WGBFWVCPFBMUIG-CHNSCGDPSA-N 314.407 1.530 10 10 DDCE CCN(C)c1ccc(CN2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1 839062637 FGLGIKGVXBEWEU-HOTGVXAUSA-N 303.406 1.232 10 10 DDCE COc1ccc(N(C)CCN(C)CCC(=O)NC(C)C)cc1 844400284 ZKOPQKQLZCKESM-UHFFFAOYSA-N 307.438 1.978 10 10 DDCE COc1ccc(O)c(CNC(=O)NC[C@H](OC)[C@H]2CCOC2)c1 853736494 CYXKNIMICNJJJR-NHYWBVRUSA-N 324.377 1.252 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)Cc1cnnn1C 854374173 QBWQRNNZUZCFOP-UHFFFAOYSA-N 302.378 1.892 10 10 DDCE Cc1ccc(C(=O)N2CCC3(CCN(C)CC3)C2)c(O)c1O 854498199 NPURVKQJZKWFJF-UHFFFAOYSA-N 304.390 1.964 10 10 DDCE CCn1ccnc(N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1=O 853758414 FRRCLKKKXGZWSW-CYBMUJFWSA-N 314.389 1.963 10 10 DDCE COC(=O)[C@@H]1CCN(C(=O)c2cccc(O)c2O)[C@H]2CCC[C@H]21 863329813 GTNKHIOHDNNOKK-LOWVWBTDSA-N 319.357 1.902 10 10 DDCE NC(=O)c1cccc(N)c1N[C@@H]1CCCC2(CC1)OCCO2 1876459946 VQOJBHSAQOBBEF-LLVKDONJSA-N 305.378 1.855 10 10 DDCE COc1ccc(CNC(=O)C2CN(CC(F)(F)F)C2)c(O)c1 794390060 GIJPLXSCVTVDNC-UHFFFAOYSA-N 318.295 1.511 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCCC(=O)NC2CC2)cc1 1152762590 ZAUGYDYGNNEBIT-UHFFFAOYSA-N 317.349 1.638 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccc2nnc(S)n2c1 1176576074 FCBPBKKGBWYSIM-UHFFFAOYSA-N 316.342 1.359 10 10 DDCE CC(=O)Nc1ccccc1CC(=O)NCc1c(O)cccc1O 1178911303 LNGUTSGNZYLXAY-UHFFFAOYSA-N 314.341 1.915 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1sc(CC(F)(F)F)nc1C 1337570908 OXWYHQIQHABJQO-UHFFFAOYSA-N 323.292 1.800 10 10 DDCE CN(Cc1cc(Cl)ccc1O)C[C@@H]1CCS(=O)(=O)C1 769468563 LFWGURKWEDVETM-JTQLQIEISA-N 303.811 1.912 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)C[C@H]2CCC(=O)NC2)c1 1465993145 OGFIFGLGZUOWGB-WDEREUQCSA-N 306.362 1.494 10 10 DDCE CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cccc(O)c1O 1466220234 RHIMQFWSJNSWGI-UXIGCNINSA-N 320.389 1.422 10 10 DDCE O=C(CCN1C(=O)CSC1=S)Nc1cccc(Cl)n1 1865767756 DGHZCZVDLZGLQN-UHFFFAOYSA-N 315.807 1.924 10 10 DDCE CC(C)(C)N1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CC1=O 1545304613 NICRSPSYUBSUAB-NSHDSACASA-N 306.362 1.156 10 10 DDCE CCOc1cc(CN2CCOCC2)ccc1N1CCNCC1 212641710 CWIHEYRYHBNCLI-UHFFFAOYSA-N 305.422 1.327 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)C2=CCOCC2)cc1C 1713304609 JXXBVYBIKMHNHQ-AWEZNQCLSA-N 318.417 1.945 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccn(CC(F)(F)F)n1 1558175152 FXACJFCCIGXJOA-UHFFFAOYSA-N 315.251 1.787 10 10 DDCE C[C@H](NS(C)(=O)=O)C(=O)NCc1c(O)ccc2ccccc12 1558554069 IXLBBOQOOJFUEV-JTQLQIEISA-N 322.386 1.099 10 10 DDCE CN(CCN=[N+]=[N-])C(=O)CCNS(=O)(=O)c1cccs1 1912142925 KBGYXAKFXDVARH-UHFFFAOYSA-N 317.396 1.185 10 10 DDCE COc1ccc(N(CC(=O)NC(N)=O)Cc2ccco2)cc1F 150864272 PLJDJABNFIWEQR-UHFFFAOYSA-N 321.308 1.629 10 10 DDCE CN1C(=O)CNC[C@@H]1c1cc(Br)cc(F)c1O 1952151065 DNUPSQIDHMTMQZ-SECBINFHSA-N 303.131 1.397 10 10 DDCE O=S1(=O)C[C@H]2CCN(Cc3ccc(F)c(F)c3O)[C@H]2C1 2151231914 CLYUHZIWZUQMQR-KOLCDFICSA-N 303.330 1.289 10 10 DDCE CCNCc1cc(F)c(N(C)C2CS(=O)(=O)C2)c(F)c1 2152231298 MUMFXYLPOGIREO-UHFFFAOYSA-N 304.362 1.308 10 10 DDCE C[C@H](N)c1ccc(N2CC(OCCO)C2)c(Br)c1 2034843914 QQRYVWRTCIBYIL-VIFPVBQESA-N 315.211 1.666 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CCC[S@@](=O)CC3)c(Cl)cc21 321674414 QJUJRULCSSMIID-MPBGBICISA-N 313.810 1.251 10 10 DDCE CC[C@@H](NS(=O)(=O)CCOc1ccc(N)cc1)C(F)F 2178795014 SEBZJFIJQIXGBB-LLVKDONJSA-N 308.350 1.611 10 10 DDCE CN(C)C1[C@H]2CN(c3ccc(CN)c(Br)c3)C[C@H]12 384670192 XTTIRBKFTUUBLK-RYUDHWBXSA-N 310.239 1.904 10 10 DDCE Nc1ccc(CCNS(=O)(=O)c2cncc(Cl)c2)cc1 2187841607 FGMIPZJYLOQFHM-UHFFFAOYSA-N 311.794 1.838 10 10 DDCE COc1ccc(N(CCN)CCN)c(OC)c1Br 2044335876 ZBVVIBQWBMZFNL-UHFFFAOYSA-N 318.215 1.190 10 10 DDCE CC1(C)CNC(=O)CN1c1ccc(CO)c(Br)c1 2055549523 LLCJJFRMBDTZFV-UHFFFAOYSA-N 313.195 1.656 10 10 DDCE Oc1ccc(Br)cc1CN1CCO[C@H]2COC[C@H]21 2072492322 AJIWFDQXYIWHMY-YPMHNXCESA-N 314.179 1.754 10 10 DDCE CC[C@@H](NCc1c(Br)ccc(OC)c1O)C(N)=O 2220463562 CLGYWAMUGAZSHE-SECBINFHSA-N 317.183 1.517 10 10 DDCE CN1CCc2cc([C@@H](N)C3(O)CSCCSC3)ccc21 2237075234 DGTQRGJSXYXBHT-CQSZACIVSA-N 310.488 1.890 10 10 DDCE COc1cc(OC)c(N2CC[C@H](N)[C@H](CO)C2)cc1Cl 2285854439 OHZBKZMNQBEXLJ-ONGXEEELSA-N 300.786 1.503 10 10 DDCE COc1ccc(N2CCS(=O)(=O)CC2)cc1Br 2301543067 WFFPBMGCINHBCN-UHFFFAOYSA-N 320.208 1.693 10 10 DDCE CC(=O)NCCCN1C(=O)C(=Cc2ccc[nH]2)SC1=S 2323888835 LFKPGPVOGAKBEY-UHFFFAOYSA-N 309.416 1.742 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCN(C)[C@@H]2C)s1 2350654712 FTVFPUZBGHWELU-PELKAZGASA-N 301.437 1.502 10 10 DDCE Nc1ccccc1N[C@@H]1CCN(S(=O)(=O)C(F)(F)F)C1 2360223352 OMACLTGLZYZXPT-MRVPVSSYSA-N 309.313 1.605 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCCN(C2CC2)CC1 180996028 WTBABAVWDUPBRN-XVNBXDOJSA-N 302.374 1.808 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H](CCO)C3)cc2N1 320641985 ICXARWNOHUEPHQ-SNVBAGLBSA-N 321.333 1.525 10 10 DDCE CCn1cc([N+](=O)[O-])c(C(=O)NCc2cccc(OC)c2O)n1 191857938 KYULBPAVYNWLIL-UHFFFAOYSA-N 320.305 1.455 10 10 DDCE C[C@H](O)CN1CCN(Cc2cc([N+](=O)[O-])ccc2O)C[C@@H]1C 247439824 ZSKMCRHXGDCBOW-RYUDHWBXSA-N 309.366 1.187 10 10 DDCE COc1cc(NS(=O)(=O)C[C@H]2CCCCO2)ccc1O 280681511 ZLWDKKDXYKHFON-LLVKDONJSA-N 301.364 1.712 10 10 DDCE CC(C)(C)CS(=O)(=O)C[C@H](O)COc1ccc(N)cc1 722438436 FRHBWVQWYOYIAK-GFCCVEGCSA-N 301.408 1.469 10 10 DDCE Cn1cc(C[C@H](O)Cc2ccc(N)cc2)c(Br)n1 713870955 ZBULXCWFDICDKW-GFCCVEGCSA-N 310.195 1.911 10 10 DDCE CN1C(=O)CCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O 911262736 VCBMPJSCCPWKRE-CYBMUJFWSA-N 313.357 1.568 10 10 DDCE COc1cccc(CNC(=O)Cc2cn3c(n2)CCCC3)c1O 845833650 MGLVPAMXJAZCPE-UHFFFAOYSA-N 315.373 1.793 10 10 DDCE C[C@@H]1CCn2ncc(C(=O)NCCc3ccc(O)c(O)c3)c2C1 843831261 DFPNIJJPBCOAEC-LLVKDONJSA-N 315.373 1.849 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2CNCCC2(F)F)c1O 842002038 DMRRBLBSPZOIRP-LLVKDONJSA-N 315.320 1.197 10 10 DDCE COc1ccc(N2CCN(C[C@@H]3C[C@H]4COC[C@@H]4O3)CC2)cc1 929153096 OVUHLSQFCXIPQB-WBAXXEDZSA-N 318.417 1.621 10 10 DDCE Cc1ccc([C@H](C)NCC[C@@H]2CNCCS2(=O)=O)c(O)c1 925801901 YPJOFSOYORDQFG-QWHCGFSZSA-N 312.435 1.128 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)c1cc(=O)n(C)c(=O)n1C 853450574 DAAXYEREACAJDS-UHFFFAOYSA-N 316.405 1.177 10 10 DDCE COC(=O)c1cc(OC[C@H]2CCNC(=O)CC2)ccc1N(C)C 865395105 JFPVVAGQYIUOIR-GFCCVEGCSA-N 320.389 1.834 10 10 DDCE C[C@H](NC(=O)N[C@H](C)CN1CCN(C)CC1)c1ccccc1O 868371810 HIKBKFBGMXUMRH-KGLIPLIRSA-N 320.437 1.388 10 10 DDCE O=C(/C=C/COC1CCOCC1)NCCc1ccc(O)c(O)c1 866756903 CEWQKGHNEVWJDU-OWOJBTEDSA-N 321.373 1.508 10 10 DDCE COc1ccc(N(C)Cc2cn(C)nc2C(=O)O)cc1OC 864785572 GUEPZWFYYPZZEE-UHFFFAOYSA-N 305.334 1.772 10 10 DDCE CCO[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)[C@@H]1CCOC1 867302521 QMDSCZXPYVTNAA-GHJWDPDVSA-N 323.389 1.587 10 10 DDCE CSCC[C@H](NC(N)=O)C(=O)N1Cc2cccc(O)c2C1 871208005 XCMLWOUYSUNPGJ-NSHDSACASA-N 309.391 1.024 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@H]2C[C@]2(CO)C1 897502068 HAOPTWSLZLJONJ-RFAUZJTJSA-N 305.355 1.767 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nnc2ccccc2n1 1138152259 CIFKTKBGVHESIJ-SNVBAGLBSA-N 324.340 1.797 10 10 DDCE COc1ccc(CNC(=O)c2ccc3nnn(C)c3c2)c(O)c1 794373872 NTVPUEWXGRCQIY-UHFFFAOYSA-N 312.329 1.613 10 10 DDCE c1ncc2c(n1)CCN(Cc1ccc(N3CCOCC3)cc1)C2 895722345 HPLBZMGGOAGYFA-UHFFFAOYSA-N 310.401 1.872 10 10 DDCE COC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc(O)cs1 1141412336 GMJZEOXUWQMFAZ-LLVKDONJSA-N 306.343 1.363 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CCF)C(=O)N1CC(N=[N+]=[N-])C1 1885563656 XUNZGKODFYIJNR-VIFPVBQESA-N 301.322 1.760 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@@H]1CC(c2ccccn2)=NO1 1303875163 BNXWCXVPGMIBCS-HNNXBMFYSA-N 315.304 1.736 10 10 DDCE COC1=C(C(=O)O)NC(=S)N[C@H]1c1ccc(N(C)C)cc1 76260247 JOYBRHXKUUWSNC-JTQLQIEISA-N 307.375 1.214 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 1351392540 FOWHKHMZCVPNJZ-VNHYZAJKSA-N 316.401 1.903 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2nc3ncccn3n2)c1 1445965055 DXEUFCQFHLVJOS-SECBINFHSA-N 313.317 1.330 10 10 DDCE COc1cc(CNCCC(=O)O)ccc1N1CCCNCC1 212700151 ZUHBHGFVTIXVRA-UHFFFAOYSA-N 307.394 1.059 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)CN(C)[C@@H]1CCC[C@H]1O 1543310115 PMJRXFBFNVMEBT-IAGOWNOFSA-N 319.449 1.522 10 10 DDCE COC(=O)c1ccccc1C(=O)NCc1ccc(O)c(O)c1 1622664070 FOENYCBSEKVICX-UHFFFAOYSA-N 301.298 1.814 10 10 DDCE CC(=O)Nc1cccc(CC(=O)NCc2ccc(O)cc2O)c1 1638357127 PGWZJVHAHDYAAS-UHFFFAOYSA-N 314.341 1.915 10 10 DDCE O=C(NC[C@@H]1CS(=O)(=O)c2ccccc21)c1cc(O)cs1 1636258372 JSVIPTXMJRPMCD-SECBINFHSA-N 323.395 1.755 10 10 DDCE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ncn(C)n1 1634275912 MLOKOGQCYVGCQC-QMMMGPOBSA-N 301.310 1.469 10 10 DDCE CNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2O)o1 1643738916 XTAZWXUMIDLSPX-SECBINFHSA-N 324.358 1.384 10 10 DDCE Nc1ccc(C(=O)NCc2c(O)cccc2O)cc1[N+](=O)[O-] 1647178161 KCMXZOUIZPXTMC-UHFFFAOYSA-N 303.274 1.518 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CC[C@H]3[C@@H](C2)C3(F)F)cc1 1653830018 FXKHOMVALQEULC-LSDHHAIUSA-N 323.387 1.956 10 10 DDCE CN(C(=O)c1cc(O)c(O)c(O)c1)c1ccc(C(=O)O)cc1 1866302764 CFQUZWLNBKZSAR-UHFFFAOYSA-N 303.270 1.778 10 10 DDCE CCOc1cccc(CNCC(=O)N=c2cc(C)o[nH]2)c1O 1857856687 KEYBSJDARVDEQI-UHFFFAOYSA-N 305.334 1.238 10 10 DDCE C[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc(O)nc(O)c1 1914965883 WOZQUJOJRPBVTQ-LLVKDONJSA-N 302.330 1.516 10 10 DDCE CC(C)(C)OC(=O)NCCC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 1952679569 DJJQCUAZVZXAJR-NSHDSACASA-N 324.377 1.452 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CF)[C@H](N)Cc1ccc(O)c(O)c1 1953012871 PPRXHEFCYWWZJH-GHMZBOCLSA-N 314.357 1.830 10 10 DDCE CC(C)(C)OC(=O)N1CC2CC1(C(=O)C(=O)C[C@H]1C[C@H](N)C1)C2 1980377812 QEOITIXWFZALKG-FFCJKCFQSA-N 322.405 1.652 10 10 DDCE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)NCc1ccc(N)cc1 1993320681 NVUNNWQUQSBCQY-CYBMUJFWSA-N 323.393 1.161 10 10 DDCE CS[C@H](C)CNS(=O)(=O)CCOc1ccc(N)cc1 162459763 MAYLTCYKLQBHMW-SNVBAGLBSA-N 304.437 1.319 10 10 DDCE CSCC1CN(S(=O)(=O)CCOc2ccc(N)cc2)C1 2161169926 XMKWAKDLSIDBFP-UHFFFAOYSA-N 316.448 1.272 10 10 DDCE Nc1cc(O)ccc1NS(=O)(=O)C[C@@H]1C[C@@H]1C(F)(F)F 2164653410 ZEDCBHXIIZYVGX-XPUUQOCRSA-N 310.297 1.915 10 10 DDCE CC[C@H]1CN([C@H](CC)C(=O)Nc2ccc(O)c(O)c2)CCO1 2063377129 UKWXRPWTGRPMEP-QWHCGFSZSA-N 308.378 1.926 10 10 DDCE COc1cccc(O)c1[C@H](C)n1ncc(S(C)(=O)=O)c1N 2070218437 XCNNQIMPUZNQTH-QMMMGPOBSA-N 311.363 1.192 10 10 DDCE CSc1ncc(CNC(=O)C[C@@H]2C[C@H](N)CCO2)s1 2269095078 LAOITZOLRZZKMJ-BDAKNGLRSA-N 301.437 1.378 10 10 DDCE CNCCCCS(=O)(=O)NCc1cnc(SC)s1 2257098345 WMYCYWJUKLSDTD-UHFFFAOYSA-N 309.482 1.284 10 10 DDCE Cc1ccc(CNCCOCCO)c(O)c1Br 2307568241 CHGIRSVXKAYCHY-UHFFFAOYSA-N 304.184 1.562 10 10 DDCE CC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 123468332 YVANDMQSXMVGCI-OAHLLOKOSA-N 307.369 1.519 10 10 DDCE Cc1ccccc1S(=O)(=O)CC(=O)Nc1ccc(N)cc1 37666050 QEGFZQKPLGLKSD-UHFFFAOYSA-N 304.371 1.990 10 10 DDCE Cc1cc(C(=O)NCCO)c(C)n1-c1ccc2c(c1)OCCO2 97175830 UWAWADYMXCGSGR-UHFFFAOYSA-N 316.357 1.587 10 10 DDCE O=C1CN(C(=O)c2cc(O)cs2)CCN1CC(F)(F)F 807726605 HKKXUXCYSSDSOF-UHFFFAOYSA-N 308.281 1.300 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@@H]2C(F)(F)C23CC3)cc1 2165887944 LSKQPQGLAUGFFU-NSHDSACASA-N 302.346 1.734 10 10 DDCE CCn1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(N)cc2)n1 818544959 XRKRLNWREAYTFV-UHFFFAOYSA-N 303.322 1.366 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CSCN2C(C)=O)c1 728982989 RAUKHUNLVGEXJK-TVQRCGJNSA-N 324.402 1.499 10 10 DDCE CNC(=O)[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)CCO1 835047604 JHBQGHARJMWJBQ-AWFCHZOYSA-N 303.406 1.213 10 10 DDCE CN1CCC([C@@H]2C[C@@H]2CNC(=O)c2cc(O)nc(O)c2)CC1 585512437 KGIHKOMPUVKGTP-OLZOCXBDSA-N 305.378 1.201 10 10 DDCE COCCCOCC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855227939 SATQGZSPIAUKQG-AWEZNQCLSA-N 322.405 1.443 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)C[C@H](C)O)C2)cc1 854299070 KPPWHKYAKJWHGQ-IHRRRGAJSA-N 321.421 1.733 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3ccn(C)n3)C2)cc1 855228682 CXXSZSOZJHYZJJ-LBPRGKRZSA-N 300.362 1.437 10 10 DDCE CN(C)c1ccc(CNC(=O)NC[C@H]2COCCN2C)cc1F 858843115 FBVJTMFDRQPNKC-ZDUSSCGKSA-N 324.400 1.022 10 10 DDCE CNCCOCCN(C)Cc1cc(Cl)cc(C(C)=O)c1O 863550436 BPWKNVYOGFWAFK-UHFFFAOYSA-N 314.813 1.916 10 10 DDCE Cn1ccc(CNC(=O)NCCCSc2nccs2)n1 766253567 YGKAOYYEGDUPSO-UHFFFAOYSA-N 311.436 1.858 10 10 DDCE C[C@H](NC(=O)NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1O 868028292 UXWKDDJKTWXOMR-QWRGUYRKSA-N 312.391 1.187 10 10 DDCE CCC(=O)N[C@@H](CCSC)C(=O)N1Cc2cccc(O)c2C1 871201356 TVHDMYZCVTYXLQ-ZDUSSCGKSA-N 322.430 1.882 10 10 DDCE O=C1Cc2c(C(=O)N3CCCc4ccnc(O)c43)ccnc2N1 1119658082 BJBRXVPJXNMMOP-UHFFFAOYSA-N 310.313 1.270 10 10 DDCE CCN(Cc1cn(C)nn1)C(=O)NCc1ccc(N(C)C)cc1 781609343 SEEMDSWKBHIMNI-UHFFFAOYSA-N 316.409 1.613 10 10 DDCE COCCN(Cc1cccc(OC)c1O)Cc1ccnn1C 787331369 JQPKKUZXJXKKQN-UHFFFAOYSA-N 305.378 1.783 10 10 DDCE C/C(=C/C(=O)N1CCNC(=O)c2ccccc21)c1cnccn1 1127770999 CLEPKYGYQYHGKI-BENRWUELSA-N 308.341 1.657 10 10 DDCE CNC(=O)CCNCc1c(C(=O)OC)n(C)c2ccc(F)cc12 894207936 BDVPRNYALLNKFM-UHFFFAOYSA-N 321.352 1.330 10 10 DDCE COC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccc(F)c(F)c1O 895867699 YSGZQNYGONAMHS-JQWIXIFHSA-N 315.316 1.871 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cccnc1-n1cccn1 1136209035 YYIKPZGZOMZFAB-UHFFFAOYSA-N 310.313 1.860 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cncc3ncn(C)c23)cc1 1135642397 GAMPBDVHXKFXMY-UHFFFAOYSA-N 309.373 1.964 10 10 DDCE CC(C)(C)OC(=O)NOCCNC(=O)Cc1ccc(N)cc1 1959370793 JRCGJXODFVAVQX-UHFFFAOYSA-N 309.366 1.384 10 10 DDCE C[C@@](O)(C(=O)NCc1ccc(O)cc1O)c1ccc(F)cc1 1162284965 ITPDISAKADCCFY-INIZCTEOSA-N 305.305 1.761 10 10 DDCE COc1ccc(N2CCCN(C(=O)NCC3COC3)CC2)cc1 1328818151 DGSLVYGIAULYLP-UHFFFAOYSA-N 319.405 1.563 10 10 DDCE C[C@H](CNCC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 1268676117 KYSUGYKRMQYAJA-SNVBAGLBSA-N 303.366 1.967 10 10 DDCE Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)cc(C(N)=O)c1 1449900351 VDLXLIUIJDIYHX-UHFFFAOYSA-N 300.314 1.686 10 10 DDCE CCOc1cc(CNCC(=O)O)ccc1N1CCC(O)CC1 212053693 LBZJTZUCCXAZSI-UHFFFAOYSA-N 308.378 1.221 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1 1299571179 ROTKQSAFFUEAPS-UHFFFAOYSA-N 301.298 1.814 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc2c(c1)C(=O)NCC2 1468653669 VFIPIMMBUJRRBW-UHFFFAOYSA-N 312.325 1.565 10 10 DDCE COc1cc(C[C@@H](CN)NC(=O)OC(C)(C)C)cc(O)c1O 1535975673 QMAARNRZRHHEHZ-JTQLQIEISA-N 312.366 1.501 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1cccc(-n2cncn2)n1 1622312626 TUFVYOJSZBZCHI-UHFFFAOYSA-N 309.329 1.640 10 10 DDCE CN(C)c1cnc(C(=O)NCc2ccc3cccnc3c2O)cn1 1643283465 XHTBNIWIEJPVDQ-UHFFFAOYSA-N 323.356 1.726 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1cn(C2CCC2)nn1 1644175619 UBEHWBIHEWJTHT-FNORWQNLSA-N 314.345 1.744 10 10 DDCE C[C@@](NC(=O)CCc1ccc(N)cc1)(C(=O)O)C(F)(F)F 158179613 NJHOOCYWOZJFGZ-GFCCVEGCSA-N 304.268 1.723 10 10 DDCE CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCOC1 155680143 RUKRXECEVRUCLW-MRXNPFEDSA-N 301.390 1.993 10 10 DDCE C[C@@H](N)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1865915891 BQNOXANHVKENIC-PBHICJAKSA-N 318.465 1.743 10 10 DDCE COc1ccc(N2CCN(C(=O)CCn3cccn3)CC2)cc1 20989173 BXLFZAKJWBWSTA-UHFFFAOYSA-N 314.389 1.631 10 10 DDCE CCOc1ccccc1NC(=O)c1nnn(-c2ccc(N)cc2)n1 1857878494 DUPYBOOCXOCXRZ-UHFFFAOYSA-N 324.344 1.896 10 10 DDCE Nc1ccc(CS(=O)(=O)NCCOCC(F)(F)F)cc1 111634907 LTCZHJLYZUASIK-UHFFFAOYSA-N 312.313 1.267 10 10 DDCE C[C@@H]1CN(c2ccc(CO)cc2Br)CC(=O)N1C 1926024948 VOSDUVWFGDAJHI-SECBINFHSA-N 313.195 1.608 10 10 DDCE CO[C@H]1COC[C@@H]1CNCc1cccc(Br)c1O 2036603547 WKKLAPBJVWCBIT-JQWIXIFHSA-N 316.195 1.906 10 10 DDCE CCNCc1ccc(N2CC[C@H](S(C)(=O)=O)C2)c(F)c1 2179908629 QGZHVYUUHVANSF-LBPRGKRZSA-N 300.399 1.559 10 10 DDCE O=C(O)c1cn(Cc2cc(Br)ccc2O)nc1O 2070591551 UXPOUPQVHUYBEQ-UHFFFAOYSA-N 313.107 1.803 10 10 DDCE C[C@@H](NCc1cccc(Br)c1O)c1nc(=O)o[nH]1 2057689155 YZACFPSRDSHRJN-ZCFIWIBFSA-N 314.139 1.682 10 10 DDCE O=S1(=O)C[C@@H]2CN(c3ccc(CO)cc3Cl)C[C@H]2C1 2087856798 QRSWSWUNKPFZEL-QWRGUYRKSA-N 301.795 1.313 10 10 DDCE O=C(CN1CCC(C2OCCO2)CC1)c1ccc(O)c(O)c1 2108842382 IXOMGPMWNDGNSD-UHFFFAOYSA-N 307.346 1.365 10 10 DDCE CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1O 2204744334 LDRGIGBEGMAIGC-GXTWGEPZSA-N 301.383 1.977 10 10 DDCE OCc1ccc(N2CC[C@H](O)[C@H](O)CC2)cc1Br 2256971648 ZYECDHUMIVIXIS-BETUJISGSA-N 316.195 1.263 10 10 DDCE CSc1ncc(CNC(=O)C[C@H]2C[C@@H](N)CCO2)s1 2269095079 LAOITZOLRZZKMJ-DTWKUNHWSA-N 301.437 1.378 10 10 DDCE CCN(CC)c1ccc(C=C2C(=O)NC(=S)N(C)C2=O)cc1 2293308776 XSRFMIXKLRNIMR-UHFFFAOYSA-N 317.414 1.789 10 10 DDCE C[C@H](CNC(=O)C=Cc1ccc(O)c(O)c1)CN1CCCC1 2307986490 BPVNBRHWHXOPID-CYBMUJFWSA-N 304.390 1.959 10 10 DDCE Cn1cnnc1NC(=O)C=Cc1ccc(N2CCOCC2)cc1 2309136949 HWKCJRBFMMOXDD-UHFFFAOYSA-N 313.361 1.304 10 10 DDCE Nc1ccc(NC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1 35407759 COIBMZSLYTXNOF-UHFFFAOYSA-N 306.347 1.560 10 10 DDCE Cc1cc(N2CC[C@@H](S(=O)(=O)C(F)F)C2)ccc1CO 2368551751 CARCKOHMXSUDPG-GFCCVEGCSA-N 305.346 1.703 10 10 DDCE COCc1cc(I)c2c(c1O)CNC2=O 89211110 TYKWEDWRRQEOEG-UHFFFAOYSA-N 319.098 1.387 10 10 DDCE Cc1c(/C=C\C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1C 606443866 VSWNEMCFLMQABP-JPVGGKMYSA-N 315.373 1.900 10 10 DDCE COc1cc(OC)c2c(c1)C(=O)N(C)CCN2CCC(=O)O 527431874 DOMQLOBARIWRAQ-UHFFFAOYSA-N 308.334 1.071 10 10 DDCE CS(=O)(=O)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2O)C1 294795416 VMGFQHXPPNPYHJ-SECBINFHSA-N 307.774 1.804 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCC3(CCN3)CC2)c1O 817865998 RQXSMAVIOURNIA-UHFFFAOYSA-N 307.350 1.637 10 10 DDCE C[C@@H]1CN(CCO)CCN1Cc1cc(Cl)cc(F)c1O 825337597 HEJRMGJTYNCMJR-SNVBAGLBSA-N 302.777 1.683 10 10 DDCE CO[C@H](C(=O)O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 901943503 AODQOWAFWRFARP-HNNXBMFYSA-N 320.389 1.639 10 10 DDCE COc1ccc(N2CCN(CN3C(=O)[C@@H]4CCC[C@@H]43)CC2)cc1 839950187 QYJUVBGJHGBDBZ-SJORKVTESA-N 315.417 1.786 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@H]3COC[C@@]3(C)C2)cc1 853243983 BHBCOZMIYREVCF-WMLDXEAASA-N 303.406 1.931 10 10 DDCE CO[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCOC1 852439446 FSCKEFUOYVUKEL-GDBMZVCRSA-N 321.421 1.603 10 10 DDCE Cn1nc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1C=O 930206218 SPGNENPPSBVOSU-UHFFFAOYSA-N 312.373 1.763 10 10 DDCE CCOC(=O)C1(C(=O)NCc2ccc3cccnc3c2O)CC1 862027935 KEBTYPVWTIDGBI-UHFFFAOYSA-N 314.341 1.900 10 10 DDCE CCc1noc(C)c1NC(=O)C(=O)NCc1cc(C)ccc1O 862024675 BPJKOQGYHNODCZ-UHFFFAOYSA-N 317.345 1.814 10 10 DDCE CN1CCN(C(=O)c2c(F)ccc(O)c2O)Cc2cccnc21 872309159 RICPSOBHGBGQQX-UHFFFAOYSA-N 317.320 1.724 10 10 DDCE CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(CN)c(Br)c1 1877073230 DGKMJEKFFJWYCG-STQMWFEESA-N 324.222 1.717 10 10 DDCE O=C(NC[C@H]1COCCO1)c1cc2cc(O)c(O)cc2s1 895804221 JNBBGHKQPVMUSL-VIFPVBQESA-N 309.343 1.458 10 10 DDCE C[C@@H](NCc1cc(Cl)c(F)cc1O)c1nnc(O)n1C 895172272 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DDCE CC(C)CS(=O)(=O)CCC(=O)NCc1cc(O)ccc1O 1643879184 DSMMYAXIQUDULE-UHFFFAOYSA-N 315.391 1.175 10 10 DDCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1n[nH]cc1F 1641203583 GRUDHGNUCQYVNS-UHFFFAOYSA-N 318.352 1.440 10 10 DDCE COc1ccc(CNC(=O)N[C@H]2CCC3(C2)OCCO3)c(O)c1 1671045082 BQZLDBVKPSSPCY-LBPRGKRZSA-N 322.361 1.496 10 10 DDCE c1cc(N2CCOCC2)ccc1CNCCCO[C@H]1CCOC1 153093616 ABPSAHVQXDOJJW-SFHVURJKSA-N 320.433 1.808 10 10 DDCE CC(C)(C)OC(=O)N1CC(NCc2ccccc2O)(C(=O)O)C1 1913941040 FKABAKXGRYZMNY-UHFFFAOYSA-N 322.361 1.556 10 10 DDCE Cc1cccc(CNC2(CO)CN(C(=O)OC(C)(C)C)C2)c1O 1918435496 QCVBFXXXMNTRTQ-UHFFFAOYSA-N 322.405 1.772 10 10 DDCE CC[C@@H](CS(C)(=O)=O)NCc1cc2c(cc1O)OCO2 1967831179 VZYMMYRMFZYEGK-JTQLQIEISA-N 301.364 1.034 10 10 DDCE CCOC(=O)[C@@H]1C[C@]1(N)c1cccc(Br)c1O 1952813458 HAJOSBYQQVGFNL-UFBFGSQYSA-N 300.152 1.892 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N3CC([S@@](C)=O)C3)c(Cl)cc21 2171956847 LYEVWUACSSCUBC-FKIZINRSSA-N 313.810 1.120 10 10 DDCE N[C@H]1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)C1 2048476183 SVYXHSWUIAHTCM-HNNXBMFYSA-N 301.390 1.096 10 10 DDCE CNCc1ccc(N2CC(C)(CS(C)(=O)=O)C2)cc1Cl 2173200122 QRVCJSAVRYDXLK-UHFFFAOYSA-N 316.854 1.930 10 10 DDCE CN(C)C[C@H](O)CN(C)c1ccc(CN)cc1Br 690201304 GLDBTORSBJOJLN-NSHDSACASA-N 316.243 1.267 10 10 DDCE O=C(NCc1cc(Br)no1)c1cc(O)nc(O)c1 719317815 MPKJXFJZTCORPH-UHFFFAOYSA-N 314.095 1.173 10 10 DDCE COc1ccc(Br)c(CN2C[C@H]3C[C@H]2CN3)c1O 2220464357 NMLFJMZWUKTGNK-BDAKNGLRSA-N 313.195 1.709 10 10 DDCE C[C@@H](NCCCS(=O)(=O)C(F)F)c1ccc(O)cc1O 2237644792 SQHOXFLIVYZUFK-MRVPVSSYSA-N 309.334 1.776 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H](C(=O)O)C(C)(C)F)s1 2284542911 BZSVQMHFRSAIHD-ZETCQYMHSA-N 321.399 1.866 10 10 DDCE O=C1C(=Cc2ccco2)SC(=S)N1CN1CCOCC1 2297312949 SNDLOETZNIYFGA-UHFFFAOYSA-N 310.400 1.771 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 302373689 FNAWXNBWGIEJGA-FFLLRXOZSA-N 320.345 1.988 10 10 DDCE Cn1cc(N2CCC[C@H](NC(=O)c3cccc(O)c3O)C2)cn1 189432587 JZCVTSRGJAHWDU-NSHDSACASA-N 316.361 1.230 10 10 DDCE Cc1c(NCc2ccc(O)cc2O)cccc1S(N)(=O)=O 37787724 JENMAUUDVWMNJA-UHFFFAOYSA-N 308.359 1.666 10 10 DDCE CN(C)c1ccc(CNC(=O)Cc2ccccc2C(N)=O)cc1 191993830 LKBAINMQFUFNDZ-UHFFFAOYSA-N 311.385 1.710 10 10 DDCE COCc1nc([C@@H]2COCCN2Cc2cc(F)ccc2O)no1 364095397 OKFSFTROQBDAPC-LBPRGKRZSA-N 323.324 1.634 10 10 DDCE Cc1cc(Cl)cc(CNCCCn2cc(CO)nn2)c1O 291601545 QLQNROHFDDNZJZ-UHFFFAOYSA-N 310.785 1.618 10 10 DDCE O[C@H](CNCc1ccc(N2CCCC2)cc1)Cn1cccn1 818954535 UTVKVNMLFHTPGP-QGZVFWFLSA-N 300.406 1.634 10 10 DDCE O=S(=O)(C[C@H]1CCCNC1)Nc1ccc(O)cc1Cl 722247789 ADUNLWXWAQYXEH-VIFPVBQESA-N 304.799 1.787 10 10 DDCE N[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@H]1C(F)(F)F 903981571 GQLTZSFODGCTSI-NXEZZACHSA-N 318.295 1.832 10 10 DDCE CC(=O)C(=O)COC(=O)c1cn(CC(C)C)nc1C(F)F 837898602 UZBXBWQUMJISJN-UHFFFAOYSA-N 302.277 1.792 10 10 DDCE O=C1N[C@@H](CCF)C(=O)N1Cc1ccc(N2CCOCC2)cc1 844719749 RJRXXWMRGBGYBU-AWEZNQCLSA-N 321.352 1.303 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@@H](C)N(CCO)C[C@H]2C)c1O 842163785 SJYYQMFPBQMNDZ-VXGBXAGGSA-N 324.396 1.621 10 10 DDCE COC[C@@]1(C(=O)OC)CCCN1C(=O)c1ccc(C)c(O)c1O 855375253 NXMYFOUKNREYED-MRXNPFEDSA-N 323.345 1.200 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CCC(C)(C)O)C2)cc1 855223574 AGHCKGBORVSNBP-ZDUSSCGKSA-N 306.406 1.941 10 10 DDCE COc1cccc([C@H](C)NC[C@]23COCCN2C(=O)OC3)c1O 866521092 FRJVZRSOCWVZBV-MEDUHNTESA-N 322.361 1.273 10 10 DDCE CCOC(=O)C1(O)CCN(Cc2ccc(OCC)cc2O)CC1 769473421 NYZYQNAYNTXEHZ-UHFFFAOYSA-N 323.389 1.681 10 10 DDCE CN(C)[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C12CCC2 898833899 ZZNFGCUQEGWRLF-NWDGAFQWSA-N 308.353 1.840 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](C)CO3)CC2)cc1F 896899484 SKIJZYUYDQPGRP-LRDDRELGSA-N 322.380 1.908 10 10 DDCE CCn1nccc1CN(CCO)Cc1cc2c(cc1O)OCO2 793303048 BOWQZCHRWNSZHN-UHFFFAOYSA-N 319.361 1.332 10 10 DDCE Nc1ccc(CCN2CC(CNC(=O)C(F)(F)F)C2)cc1 1959534011 QLPVQNYQODEHSB-UHFFFAOYSA-N 301.312 1.422 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@@H](C)CC(N)=O)cc1C 1267412675 PPQRPHIYGOSIKA-ZDUSSCGKSA-N 321.421 1.063 10 10 DDCE COc1ccccc1OC(=O)CCN1C(=O)CSC1=S 1865774354 CUQKUWDNWCFWFS-UHFFFAOYSA-N 311.384 1.851 10 10 DDCE C[C@@H]1CN(CCCNC(=O)Cc2ccc(O)c(O)c2)C[C@@H](C)O1 1540552396 LBENHRLTUYLENQ-CHWSQXEVSA-N 322.405 1.256 10 10 DDCE CN1CCN(c2ccc(CNC(=O)CCCCCO)cc2)CC1 1471565795 VROSXYXZQIAKHA-UHFFFAOYSA-N 319.449 1.607 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(CO)nc1 1624954984 OPZCQBYDUXHQTQ-SNVBAGLBSA-N 302.330 1.346 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccnc(-c2ncc[nH]2)c1 1557084833 QANWGGPAVRUJDC-UHFFFAOYSA-N 310.313 1.813 10 10 DDCE Cc1ccc(C(=O)N2CCOC[C@H]2c2cccn2C)c(O)c1O 1633758697 FPDDBMWZMZLZBO-AWEZNQCLSA-N 316.357 1.958 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1ccc(-c2cn[nH]c2)cn1 1595752425 PGRRUTALNBKYFT-UHFFFAOYSA-N 324.340 1.855 10 10 DDCE CC1(NC(=O)c2cccc(O)c2O)CN(C(=O)OC(C)(C)C)C1 1637599962 DSPWBDIKBGLKRB-UHFFFAOYSA-N 322.361 1.837 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2ccon2)cc1C 1699354877 RSHJSHSUYBVRQH-GFCCVEGCSA-N 303.362 1.900 10 10 DDCE CNCc1ccc(N2CCn3nncc3C2)cc1Br 2130050184 UPGALAGEICHKQK-UHFFFAOYSA-N 322.210 1.780 10 10 DDCE COC[C@](C)(CO)CNCc1ccc(Br)cc1O 1926947703 MGJAPFLTDIALPC-ZDUSSCGKSA-N 318.211 1.889 10 10 DDCE COc1cccc(CNCCONC(=O)OC(C)(C)C)c1O 1928413691 KWKGPYNJTJAZLH-UHFFFAOYSA-N 312.366 1.947 10 10 DDCE NCc1ccc(N2CCCNC(=O)C(F)(F)C2)c(Cl)c1 2152791424 QWNAYBYYCKBKJU-UHFFFAOYSA-N 303.740 1.760 10 10 DDCE OCc1ccc(N2C[C@@H](CO)[C@@H](F)C2)cc1Br 2008020824 SONNXNBWEWUBMI-CABZTGNLSA-N 304.159 1.708 10 10 DDCE Cn1nc(Br)cc1[C@H](O)[C@@H](N)c1ccccc1O 2031152176 CBKIQZQGQABVHZ-RYUDHWBXSA-N 312.167 1.622 10 10 DDCE NCc1cc(F)c(N2CCC([C@@H](O)CO)CC2)cc1Cl 2177377267 LOPDUXYPXVPTCQ-AWEZNQCLSA-N 302.777 1.507 10 10 DDCE COc1nscc1S(=O)(=O)N1CCC[C@@H]1CN=[N+]=[N-] 714360182 RHOMKOMISVMIOS-SSDOTTSWSA-N 303.369 1.615 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCN(C)C[C@@H]3C(C)C)c2n1 2063675490 QQCQGGHJZLHTSU-CYBMUJFWSA-N 317.393 1.156 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)CCCn3ccnc3)c2n1 2063806593 QLJVDNZMSXQLNF-UHFFFAOYSA-N 314.349 1.102 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC[C@H]2C[C@@H]2CF)cc1 2191352421 GBCVKQJMOZPIPA-GHMZBOCLSA-N 302.371 1.173 10 10 DDCE COC[C@@H](C)OC[C@@H](O)CNCc1cnc(SC)s1 2269199696 KHPFKRJMXGAWDC-ZJUUUORDSA-N 306.453 1.367 10 10 DDCE COc1ccc(Br)c(CN2CCN[C@H](C)C2)c1O 2220451367 SBGKZQSUCFLAKH-SECBINFHSA-N 315.211 1.957 10 10 DDCE CSc1ncc(CNC(=O)C[C@@H]2CSCCN2)s1 2256940402 ANNVEFNSGGYRGX-MRVPVSSYSA-N 303.478 1.576 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@H](Sc2ncc(C(=N)N)s2)C1 2319452801 ACPBLHDTGFZELL-NKWVEPMBSA-N 305.450 1.485 10 10 DDCE O=C1N=C(O)/C(=C/NC2CC2)C(=O)N1Cc1ccc(F)cc1 102503779 NREZDMNGOMAIJQ-GHXNOFRVSA-N 303.293 1.880 10 10 DDCE NC[C@H](N)c1cc(Br)c(Cl)c([N+](=O)[O-])c1O 309269209 YTEJNSIRFJCGAP-YFKPBYRVSA-N 310.535 1.675 10 10 DDCE COCCNCc1cc(F)c(N2CCC[C@@H](O)C2)c(F)c1 62737113 HTRLSCJOWRNRLI-GFCCVEGCSA-N 300.349 1.662 10 10 DDCE CCNCc1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(Cl)c1 2361523456 BOPVZHIMIWSPDP-BXUZGUMPSA-N 314.838 1.683 10 10 DDCE Cc1nc(Cc2noc(/C=C/c3ccc(O)c(O)c3)n2)no1 185185702 QMIITVGOVMHJSD-HWKANZROSA-N 300.274 1.933 10 10 DDCE COc1cc(Cl)c(N2CC[C@@](C)(O)[C@@H](O)C2)c(OC)c1 2368096830 URHKRLMYNMOYGV-GXTWGEPZSA-N 301.770 1.679 10 10 DDCE COc1ccc(OCCNC(=O)Cc2ccc(O)c(O)c2)cc1 242951833 HFJWFJOAWIJKKG-UHFFFAOYSA-N 317.341 1.844 10 10 DDCE C[C@H]1CC(=O)NCCN1Cc1ccc(N2CCOCC2)cc1 368592612 LWPIRJSIKKXWGE-AWEZNQCLSA-N 303.406 1.234 10 10 DDCE CCN1CC[C@H]2OCCN(Cc3cccc(OC)c3O)[C@H]2C1 293589133 IJHFFIRSRDGVIP-LSDHHAIUSA-N 306.406 1.696 10 10 DDCE COc1ccc(C(=O)OCC(=O)C(C)=O)nc1Br 808535647 UDROTHJXMSLVOX-UHFFFAOYSA-N 316.107 1.168 10 10 DDCE C[C@@H](NC(=O)C(=O)N(C)CCCCO)c1ccc(N(C)C)cc1 807670085 AOHSPKYUURYAGC-CYBMUJFWSA-N 321.421 1.161 10 10 DDCE COc1ccc(N2CCN(CCN[C@@H](C)C[C@@H](C)N)CC2)cc1 817892760 CEKVLQVTVZHGRP-CVEARBPZSA-N 320.481 1.533 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@@H]2C[C@H](O)C23CCC3)c1O 827364540 FHDYGVDYQHYBHH-NEPJUHHUSA-N 308.334 1.702 10 10 DDCE CCOc1ccc(O)c(CN2CC[C@@H](Cn3ccnn3)C2)c1 826846578 WLQLXSIRYGLFRR-CYBMUJFWSA-N 302.378 1.905 10 10 DDCE C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@@H](C)N 842001642 ANCFTPSONCXAKP-KGLIPLIRSA-N 320.437 1.400 10 10 DDCE CCOc1ccc(CN2C[C@@H](C)N(CCO)C[C@H]2C)c(O)c1 841892182 UDFIHBBVUNNZEF-ZIAGYGMSSA-N 308.422 1.678 10 10 DDCE COC(=O)[C@H](NCc1cccc(OC)c1O)c1ccnn1C 843430441 VBVDYRSKVUNRHM-CYBMUJFWSA-N 305.334 1.138 10 10 DDCE CO[C@@H]1COCC[C@H]1CNC(=O)NCc1c(O)cccc1F 922697395 UDUTZWUWUWAMIN-IINYFYTJSA-N 312.341 1.382 10 10 DDCE C[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)c1cscn1 851687952 MMOKNOMQXDKVNQ-JTQLQIEISA-N 318.402 1.261 10 10 DDCE C[C@H](NC[C@]12COCCN1C(=O)OC2)c1cc(F)ccc1O 866520826 IGPYFTBTOREXEN-ZUZCIYMTSA-N 310.325 1.403 10 10 DDCE COC(=O)[C@@H]1CC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 873860157 BXLHFRPECLNACM-LSDHHAIUSA-N 304.390 1.910 10 10 DDCE CO[C@@H]1CCn2cc(C(=O)N3Cc4cccc(O)c4C3)nc2C1 871206996 HOYMVGAZDISMJJ-GFCCVEGCSA-N 313.357 1.706 10 10 DDCE CN(C)c1ccc(CN[C@H](CO)CNC(=O)OC(C)(C)C)cc1 1876247585 YNWIDWZGWADBRH-AWEZNQCLSA-N 323.437 1.728 10 10 DDCE Cc1cc(C)n([C@@H](C)C(=O)OCC(=O)c2ccc(O)c(O)c2)n1 783193655 MADHQWVIZVYZRE-NSHDSACASA-N 318.329 1.898 10 10 DDCE COC[C@H](C)CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 783649953 FYGSQJODKSUEJR-GDBMZVCRSA-N 319.449 1.760 10 10 DDCE CCN(C)C(=O)[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 897534835 TVLLIYYCVGMOCW-MRVPVSSYSA-N 322.386 1.909 10 10 DDCE O=C1NCC2(CCOCC2)[C@H]1NCc1ccc(F)c(F)c1O 895764076 DZQJIEJOMSNTGI-ZDUSSCGKSA-N 312.316 1.055 10 10 DDCE C[C@H](CNC(=O)Cc1ccc(N)cc1)NC(=O)OC(C)(C)C 1959364405 MTUARFSYKDEKAZ-LLVKDONJSA-N 307.394 1.841 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1COCCN(c2ccc(N)cc2)C1 1959561311 WGIDQHYHTPMFFH-ZDUSSCGKSA-N 307.394 1.999 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)NCCN=[N+]=[N-] 1885561009 LLYNQDHCXNTBRA-ZETCQYMHSA-N 307.301 1.961 10 10 DDCE Cc1nc([C@@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)n[nH]1 1162028698 GXZLVHXTXPUUDT-OGOUPESXSA-N 314.345 1.554 10 10 DDCE CC[C@@H](C)CN(C)S(=O)(=O)CCOc1ccc(N)cc1 70490579 FWSQCXAETPUTRY-GFCCVEGCSA-N 300.424 1.955 10 10 DDCE COC(=O)/C=C\[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1181338706 NHIROHPIVCJDGN-NKLJKDQHSA-N 304.306 1.697 10 10 DDCE C[C@@](NCCN=[N+]=[N-])(C(N)=O)c1cncc(Br)c1 695176536 JSRBPKZASZXOOF-JTQLQIEISA-N 313.159 1.445 10 10 DDCE CN1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)NC1=O 1463810334 QYEOCLRVHYYLLW-HNNXBMFYSA-N 316.405 1.269 10 10 DDCE C[C@@H]1CNc2c(C(=O)NCc3c(O)cccc3O)cnn2C1 1472064078 VPACMPCPXBMGKL-SECBINFHSA-N 302.334 1.286 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1c[nH]nc1-c1ccccn1 1471662161 QTFHBMXLLXKFAA-UHFFFAOYSA-N 310.313 1.813 10 10 DDCE CCCC(=O)N1CCC[C@H](C(=O)NCc2cc(O)ccc2O)C1 1558174409 MIVLZXZPVHZLMM-LBPRGKRZSA-N 320.389 1.753 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccn(Cc2ccncc2)n1 1627737765 GXZCLRQYDNDANK-UHFFFAOYSA-N 324.340 1.919 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccnc(CO)c1 1556515983 VAFUIFXXUHJUNL-UHFFFAOYSA-N 307.346 1.695 10 10 DDCE O=C(CCNC(=O)c1cccc(O)c1O)Nc1cccnc1 1631748144 ZLQRMTXPYOHEAB-UHFFFAOYSA-N 301.302 1.251 10 10 DDCE CCn1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)n1 1642854311 VUAJHVJVRKWPQH-UHFFFAOYSA-N 300.322 1.995 10 10 DDCE COc1cc(C(=O)N[C@H](C)CN(C)C(=O)C(C)C)cc(OC)n1 1738793804 WVAPSNOWLJNHNH-LLVKDONJSA-N 323.393 1.332 10 10 DDCE O=C(Nc1ccc(F)cc1C(=O)O)c1cc(O)c(O)c(O)c1 1865876492 NXXIJQSKKZXNSS-UHFFFAOYSA-N 307.233 1.893 10 10 DDCE CN(C)CCOc1ccc(N(C)CCS(C)(=O)=O)cc1 2143373889 UFOJTAQITGONAQ-UHFFFAOYSA-N 300.424 1.108 10 10 DDCE C[C@H]1C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)N(C(=O)OC(C)(C)C)C1 1980372232 YSYUUVYVGIYTRO-ZDEQEGDKSA-N 324.421 1.898 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NC(=O)c1ccc(O)c(O)c1 1986696382 PRZIPHFALPGLHK-WDEREUQCSA-N 322.361 1.883 10 10 DDCE C[C@H]1[C@@H](CN(C)S(=O)(=O)Cc2ccc(N)cc2)C1(F)F 2153631125 AMAXFJLFFYLCNU-JOYOIKCWSA-N 304.362 1.932 10 10 DDCE CO[C@@H]1C[C@@H](CN)N(Cc2ccc(Br)cc2O)C1 2030289450 YUMWBCOVTXVSDP-NWDGAFQWSA-N 315.211 1.703 10 10 DDCE C[C@@H](N)c1ccc(N2CCN(S(C)(=O)=O)CC2)c(Cl)c1 62084949 KKUHMVALYJKTHK-SNVBAGLBSA-N 317.842 1.441 10 10 DDCE CCN(c1ccc(N)cc1)S(=O)(=O)c1cnc(OC)s1 313039234 FWODGIAOHNNROC-UHFFFAOYSA-N 313.404 1.949 10 10 DDCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 701317723 WIDMNRVXNPPRCB-ZJUUUORDSA-N 318.424 1.208 10 10 DDCE C[C@H](N)c1ccc(N2CCOC[C@H](O)C2)cc1Br 399854065 ITOXMRAPTPXPHT-GXSJLCMTSA-N 315.211 1.666 10 10 DDCE COc1cc(Cl)cc(CNCC[C@@H]2COC[C@H]2O)c1O 2167623140 YRJVNWBSLXNOEZ-BXKDBHETSA-N 301.770 1.541 10 10 DDCE O=C(Nc1nc(Cl)nc(Cl)n1)c1cc(O)c(O)c(O)c1 2188919146 KRPZVFZHLTYJIS-UHFFFAOYSA-N 317.088 1.548 10 10 DDCE Cc1c([C@@H](NN)c2ccccc2O)nn(C)c1Br 2049245340 QDVRTSRIVRATOC-NSHDSACASA-N 311.183 1.749 10 10 DDCE O=C1N[C@@H]2CN(Cc3cc(Br)ccc3O)C[C@H]2O1 2056807430 IACUYNVFEYCFNO-MWLCHTKSSA-N 313.151 1.447 10 10 DDCE CO[C@]1(C(=O)NCc2cnc(SC)s2)CCCNC1 2269203585 SGIGVAMXWLNTDA-GFCCVEGCSA-N 301.437 1.250 10 10 DDCE CSc1ncc(CN[C@@H](C)[C@H]2CN(C)CCN2C)s1 2208571467 CJHAFFVWGIREJC-CMPLNLGQSA-N 300.497 1.589 10 10 DDCE CSc1ncc(CNC[C@@H]2CNCc3nccn3C2)s1 2284729334 XCMGAPRINWAXSR-SNVBAGLBSA-N 309.464 1.571 10 10 DDCE COc1cc(OC)c(N2CC[C@@H](O)[C@H](O)CC2)cc1Cl 2285856150 KLSJDNGYFRJOQV-VXGBXAGGSA-N 301.770 1.679 10 10 DDCE C[C@H](O)c1ccc(N2CC(O)(CCO)C2)c(Br)c1 2258285726 DLIHLLBGJYFXFP-VIFPVBQESA-N 316.195 1.436 10 10 DDCE COc1cccc(CNC(=O)C=Cc2cnn(C)c2C)c1O 2304192413 ALSOUIAUHDJINY-UHFFFAOYSA-N 301.346 1.772 10 10 DDCE CC(=O)NCC(=O)NCc1ccc(C)c(Br)c1O 2327587125 VIXQNIWLHZIJRK-UHFFFAOYSA-N 315.167 1.215 10 10 DDCE Cc1[nH]ncc1S(=O)(=O)N(Cc1ccc(N)cc1)C(C)C 37730314 UDKJSCJRCHCCGW-UHFFFAOYSA-N 308.407 1.900 10 10 DDCE C[C@H](NS(=O)(=O)CCOc1ccc(N)cc1)[C@H]1CCCO1 70490613 LTCVQUCRQIXKOH-SMDDNHRTSA-N 314.407 1.135 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)C2)c(Br)c1 235223940 PEEGLKVRHOPHBY-HFKOZYHYSA-N 301.184 1.011 10 10 DDCE CC1=NN(C(N)=S)C(=O)[C@@H]1N=Nc1ccccc1C(=O)O 253918574 VUEAPVSWUNDMQX-SECBINFHSA-N 305.319 1.299 10 10 DDCE C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(O)c(O)c1)CS2 269070370 FJONBLPVQJPXCY-ZUZCIYMTSA-N 322.386 1.168 10 10 DDCE COCCOc1ccc(Cl)cc1C(=O)OCC(=O)C(C)=O 808523712 QTFZNXGLMDHMRZ-UHFFFAOYSA-N 314.721 1.680 10 10 DDCE CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H](O)C(F)F 294953387 DEFWPWNFAHYBQZ-GZMMTYOYSA-N 320.292 1.803 10 10 DDCE CC(=O)C(=O)COC(=O)c1nn(-c2ccccc2F)cc1O 808547287 KQNIUDPIUYQLNH-UHFFFAOYSA-N 306.249 1.032 10 10 DDCE Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ncccn2)c(O)c1O 727005103 GOGIOGGSECOUFQ-SECBINFHSA-N 317.301 1.380 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@@H]3COC[C@@]3(C)C2)c1O 827281215 IRSFXJNVKUDMMQ-IAQYHMDHSA-N 308.334 1.777 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@H](CO)c2cnn(C)c2)cc1 835040459 CROWILYECIWNEU-VGOKWCNXSA-N 300.406 1.823 10 10 DDCE C[C@@H]1CCNC[C@H]1NC(=O)NCCCSc1nccs1 841856715 KIOJCFWYDGXZAU-GHMZBOCLSA-N 314.480 1.923 10 10 DDCE N=C(NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)NC1CC1 848995653 ZKTBZQUVIHPBNN-CYBMUJFWSA-N 315.421 1.165 10 10 DDCE CC(=O)N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 846171112 RPHIYGCDKRKBHW-LQPUYASZSA-N 304.346 1.096 10 10 DDCE C[C@H](CS(C)(=O)=O)N(C)CCCOc1ccc(N)cc1 688583887 RCGMRKKAEQPGDV-GFCCVEGCSA-N 300.424 1.403 10 10 DDCE NC(=O)[C@H]1C[C@@H](NC(=O)NCCCSc2nccs2)C1 845048083 YFRHFUPIABJJCI-DTORHVGOSA-N 314.436 1.188 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H](C)n3ncnc32)c1 858602629 FCXKBCKONYFIHP-CMPLNLGQSA-N 301.350 1.797 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@@H](C)C3)C2)cc1 852447323 ABIVWVVWVSXIDK-KBPBESRZSA-N 319.405 1.704 10 10 DDCE CC(C)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 852868557 JHFXYZQBGOJLQL-CQSZACIVSA-N 303.406 1.575 10 10 DDCE CC[C@H](CO)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852453917 MGZFFCSMUOWULE-OLZOCXBDSA-N 307.394 1.344 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCN[C@@H]3C)C2)cc1 851640495 WMFBGVNDSYYWBO-DVOMOZLQSA-N 303.406 1.388 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC(CN(C)C)C2)c([N+](=O)[O-])c1 853651934 UYXHZUBHEHYFBC-FNORWQNLSA-N 319.361 1.779 10 10 DDCE C[C@H](NC[C@]1(OCCO)CCOC1)c1cc(Cl)ccc1O 850508794 OHTOJJGOQGGTAP-XHDPSFHLSA-N 315.797 1.864 10 10 DDCE C[C@@H](NC1CN(c2ccncn2)C1)c1cc(F)cc(F)c1O 866496190 MQOHGGAGAQBIAM-SECBINFHSA-N 306.316 2.000 10 10 DDCE CC[C@@H](CNCc1ccc(N2CCN(C)CC2)cc1)C(=O)OC 895123104 PNWPUWUBSWLHQU-INIZCTEOSA-N 319.449 1.727 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CSC1(C)C 1324882850 KRWNCFKQNPADTK-LBPRGKRZSA-N 308.403 1.361 10 10 DDCE CSCc1n[nH]c(CNC(=O)NCc2cc(C)ccc2O)n1 1255508960 JYEZFWRVYRFNID-UHFFFAOYSA-N 321.406 1.681 10 10 DDCE COC(=O)COc1ccc(N(C)C[C@@H]2C[C@H]3COC[C@H]3O2)cc1 1334048411 GLBKQANGGRNJML-VBNZEHGJSA-N 321.373 1.479 10 10 DDCE O=C1N=C(N2CCOCC2)S/C1=C1/C(=O)Nc2ccccc21 36982 AJYFLMBCGVADEZ-VAWYXSNFSA-N 315.354 1.311 10 10 DDCE Cn1cc(-c2nn(C)cc2C(=O)N2CCc3cccnc32)cn1 1458422591 VEFTXUGUEQHBOI-UHFFFAOYSA-N 308.345 1.419 10 10 DDCE COC(=O)c1cc(C(=O)NCc2cccc(OC)c2O)no1 1465992341 JNTITTUYYGXBRT-UHFFFAOYSA-N 306.274 1.105 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCS(=O)(=O)C2CC2)cc1 1469023215 YFAQIVLEMXGQLY-UHFFFAOYSA-N 324.362 1.156 10 10 DDCE CO[C@@H]1CN(Cc2c(O)cccc2Br)C[C@H]1N 1908009840 JHQHITHLFPULCV-ZYHUDNBSSA-N 301.184 1.313 10 10 DDCE C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(O)cc1O 1626837658 CFHVJPQOWRALSF-HWPZZCPQSA-N 315.325 1.943 10 10 DDCE COCCN[C@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1714504737 SSZSERSUJITMNA-LLVKDONJSA-N 321.381 1.593 10 10 DDCE COc1ccc(CNC2(CNC(=O)[C@H](O)C(C)C)CC2)cc1C 1483731139 MPTBKNFHPJPCRB-MRXNPFEDSA-N 320.433 1.759 10 10 DDCE O=C(/C=C/[C@@H]1CCOC1)NCc1ccc(N2CCOCC2)cc1 1625607367 GPVGUXRKPJHZIB-WUTVXBCWSA-N 316.401 1.732 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]([C@@H]1CCOC1)C(F)(F)F 1639956986 XEPJYUBCYQYUFZ-RNCFNFMXSA-N 319.279 1.724 10 10 DDCE COc1ccc(CNC/C=C\CNC(=O)[C@H](O)C(C)C)cc1C 1497576532 SANRQWRRVWSYCW-KEGWNNHHSA-N 320.433 1.783 10 10 DDCE CO[C@@H](CCNC(=O)Cc1ccc(O)c(O)c1)C(F)(F)F 1567632861 ZJHIZNYFRDLMKL-NSHDSACASA-N 307.268 1.724 10 10 DDCE CC[C@@H](CNC(=O)C1CC1)NC(=O)c1cc(OC)nc(OC)c1 1738100669 YXIWKSPHFZKNRO-LBPRGKRZSA-N 321.377 1.133 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](c2cc[nH]n2)C1 1584113346 LIOKGVDKJRNJFG-GFCCVEGCSA-N 301.346 1.770 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)COCC2CC2)cc1 1595417752 HAXCLCLWRMKAAA-ZDUSSCGKSA-N 320.349 1.366 10 10 DDCE CN1[C@H](CNCc2cccc(Cl)c2O)CCS1(=O)=O 1967749565 WNBRVDVLJPIJKJ-JTQLQIEISA-N 304.799 1.169 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)c(F)c1 2143667321 DGLLUDVJVJJLMF-GHMZBOCLSA-N 300.399 1.716 10 10 DDCE CC(C)(C)OC(=O)NCCONC(=O)CCc1ccc(N)cc1 1977688343 YYZMWYCYJMDECV-UHFFFAOYSA-N 323.393 1.774 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)c(Cl)c1 2144166278 GAHMIZVXCHGFEY-USWWRNFRSA-N 315.822 1.874 10 10 DDCE CS(=O)(=O)[C@H]1CC[C@@H](NCc2cc(F)cc(F)c2O)C1 2145415983 YVYBPJFGOAXXFR-MNOVXSKESA-N 305.346 1.726 10 10 DDCE CNCc1ccc(N2CC[C@](O)(CO)C2)cc1Br 314408975 PFUDIVMJHKLJBW-CYBMUJFWSA-N 315.211 1.102 10 10 DDCE CC(C)S(=O)(=O)CCN(C)c1ccc([C@@H](C)O)c(O)c1 2170467385 PJUOSJKIOMPRED-LLVKDONJSA-N 301.408 1.705 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)c1ccc(CNC)cc1F 2170567843 QXXZLOUTKBJARN-NSHDSACASA-N 302.415 1.805 10 10 DDCE NCc1ccc(N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1Cl 708868659 LVDWYUMJRPCIIP-OLZOCXBDSA-N 314.838 1.955 10 10 DDCE CNC(=O)C1CN(c2ccc([C@H](C)N)cc2Br)C1 723149043 ANZBQWWABLZBKA-QMMMGPOBSA-N 312.211 1.651 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCN[C@@H](c2ccncc2)C1 2064975562 WRUHSDJWJPTYOW-CQSZACIVSA-N 313.357 1.208 10 10 DDCE N[C@H]1CC(CN2CCc3cc(Br)ccc32)=C[C@@H]1O 2067764422 AHLFHQLWGAHVGC-JSGCOSHPSA-N 309.207 1.830 10 10 DDCE CC1(C)OC[C@H](NCc2cccc(Br)c2O)[C@H]1O 2078736430 FETYZQCXCVSKPO-CMPLNLGQSA-N 316.195 1.783 10 10 DDCE Nc1ccc(CCNC(=O)c2ncc(Br)cn2)cc1 2087561098 LGFOEAMGENONBB-UHFFFAOYSA-N 321.178 1.794 10 10 DDCE Oc1ccc(Br)cc1CN[C@@H]1CCC[C@@H](O)[C@@H]1O 2217644421 ZZDIODKLBUAVJM-RAIGVLPGSA-N 316.195 1.519 10 10 DDCE CSc1ncc(CN=c2[nH]c(NN)nc3[nH]ccc23)s1 2284715263 VUZKJZZKTITZMX-UHFFFAOYSA-N 307.408 1.456 10 10 DDCE COc1ncc(C=CC(=O)N(C)c2ccc(C(=O)O)cc2)cn1 2324670252 GXGCDTCGRYUIPX-UHFFFAOYSA-N 313.313 1.860 10 10 DDCE Cc1sc(NN(C)S(C)(=O)=O)nc1C(C)(C)C(=O)O 2339779463 MXWCCAAVFRBDGY-UHFFFAOYSA-N 307.397 1.032 10 10 DDCE CSc1ncc(CN[C@@](C)(C(=O)O)[C@H]2CCCO2)s1 2350654668 FGVJLWXOJXCMQE-BXKDBHETSA-N 302.421 1.977 10 10 DDCE CC[C@H](C)[C@H](NC(N)=O)C(=O)NCc1ccc(N(C)C)c(F)c1 57557965 OHGJSSUEOWZPAC-HZMBPMFUSA-N 324.400 1.591 10 10 DDCE COc1cccc(CNC(=O)N[C@H]2CCCn3ncnc32)c1O 176593750 QDDOISWOHHBFQA-NSHDSACASA-N 317.349 1.327 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCN(C[C@@H]3CCOC3)CC2)c1 178822230 ALLUBBUPTWPRRP-ZDUSSCGKSA-N 321.377 1.455 10 10 DDCE O=C(COC[C@@H]1CCOC1)NCc1ccc(N2CCCC2)cc1 172107423 ZDESAVREDGUGLL-MRXNPFEDSA-N 318.417 1.956 10 10 DDCE COc1cccc(CNC(=O)c2cnccc2N(C)C)c1O 183976113 MOZWCFHMMKHOTJ-UHFFFAOYSA-N 301.346 1.792 10 10 DDCE CN(C(=O)Cn1cc(Br)cn1)c1ccc(N)cc1 38054119 LSVXQNVHTMWZTD-UHFFFAOYSA-N 309.167 1.891 10 10 DDCE COCCN1[C@H](C)CN(Cc2cc(OC)ccc2O)C[C@H]1C 180300317 VKTRJYKXZXYAEU-ZIAGYGMSSA-N 308.422 1.942 10 10 DDCE CCOCCN(CC)S(=O)(=O)CCOc1ccc(N)cc1 70490900 PSWBKPCLQMMSNY-UHFFFAOYSA-N 316.423 1.336 10 10 DDCE C[C@@H](NS(=O)(=O)CCOc1ccc(N)cc1)c1ncc[nH]1 138464615 NDMOZPFYQRRVEO-SNVBAGLBSA-N 310.379 1.051 10 10 DDCE C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)CCS(=O)(=O)C1 192069195 RUOIXDICRCEIGP-SNVBAGLBSA-N 314.363 1.167 10 10 DDCE CCOC(=O)C1(O)CCN(Cc2cc(C)c(C)cc2O)CC1 93595991 VNCZUYBTZMUIOP-UHFFFAOYSA-N 307.390 1.899 10 10 DDCE CC(=O)N(C(=S)NC(=O)C1CCNCC1)c1ccc(N)cc1 242649608 CRHKHYJYCMVVPQ-UHFFFAOYSA-N 320.418 1.022 10 10 DDCE CCNC(=O)C[C@@H]1CCCCN1C(=O)c1cccc(O)c1O 285748190 PVQWMTIBPZHJFC-NSHDSACASA-N 306.362 1.619 10 10 DDCE CC(=O)C(=O)COC(=O)CC[C@@H]1Cc2ccccc2NC1=O 808494004 UFVNKYFLSCVSFE-GFCCVEGCSA-N 303.314 1.279 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccn(-c2ccccc2Cl)n1 808510624 AHLDPJNEHYONMV-UHFFFAOYSA-N 306.705 1.841 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@H]2COCCC2(F)F)cc1 2166684070 IJTMGOBOKZYIPX-NSHDSACASA-N 306.334 1.112 10 10 DDCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2C[C@@H]2N)cc1 818208374 ICSCELJPRWJGGY-BBWFWOEESA-N 317.433 1.607 10 10 DDCE O=C(O)[C@H]1C[C@H](S(=O)(=O)Nc2ccc(O)cc2Cl)C1 723288467 ZEBPIBHZJSGOSN-FKQCQYRASA-N 305.739 1.651 10 10 DDCE CCC[C@H](COC)N(C)S(=O)(=O)Cc1ccc(N)cc1 2165981557 DCSBCPJXVHXMPQ-CQSZACIVSA-N 300.424 1.846 10 10 DDCE CCc1cccc(CN2CCN(S(C)(=O)=O)[C@H](C)C2)c1O 827265110 FYILKSXSVMRGKD-GFCCVEGCSA-N 312.435 1.420 10 10 DDCE CO[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)C1CCC1 823292535 QFJCIWJRWUHUKR-KRWDZBQOSA-N 318.417 1.955 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@](O)(C(F)(F)F)C1 588407129 CQYYMJDPIZDWSM-LSYFEZSPSA-N 317.263 1.637 10 10 DDCE CC[C@H](CO)N1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 588404924 QNBRBTAEQHKRAC-KXQLTZBTSA-N 320.389 1.026 10 10 DDCE COC[C@@](C)(O)CCNC(=O)NCc1ccc(N(C)C)cc1C 836535141 YXDCBKGGIVZITF-KRWDZBQOSA-N 323.437 1.648 10 10 DDCE Cc1c(C[C@H](CN)CNCCc2ccc(N)cc2)cnn1C 903918028 QPAVIAXBUBLNKV-OAHLLOKOSA-N 301.438 1.260 10 10 DDCE CN1CCN(C)CC(C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 905449932 ZZUDGMAFIYWJFA-UHFFFAOYSA-N 318.465 1.204 10 10 DDCE O=C(c1cc(O)cs1)N1CCC(C(=O)N2CCCC2)CC1 732263887 XEWXNIVPIFUIGS-UHFFFAOYSA-N 308.403 1.928 10 10 DDCE COc1ccc(N2CCN(C[C@H]3CC4(CNC4)CO3)CC2)cc1 923318370 IPONQPVCJHMPQC-QGZVFWFLSA-N 317.433 1.196 10 10 DDCE CN(CC1CC1)C(=O)COC(=O)/C=C/c1ccc(O)c(O)c1 759595410 RFKXNMIKNBEQIW-FNORWQNLSA-N 305.330 1.523 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cnc(N)cn3)C2)cc1 851640187 SASJIYZZWRSLMU-NSHDSACASA-N 313.361 1.076 10 10 DDCE CO[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)[C@@H]1CCOC1 852439450 FSCKEFUOYVUKEL-ZBFHGGJFSA-N 321.421 1.603 10 10 DDCE C[C@H](NC(=O)NC1(CN)CCOCC1)c1ccc(N(C)C)cc1 861620741 LAZKIASWOIKVIS-ZDUSSCGKSA-N 320.437 1.621 10 10 DDCE O=C(C(=O)N1CCC2(CCC2)C1)N1Cc2cccc(O)c2C1 1119014321 BXRCGSCLUITOLD-UHFFFAOYSA-N 300.358 1.637 10 10 DDCE C[C@H](NC[C@H](O)COC[C@H]1CCCO1)c1ccc(N(C)C)cc1 775835242 SSAQQMOIPMRPRV-JCGIZDLHSA-N 322.449 1.960 10 10 DDCE CC1(C)[C@H](NC(=O)c2cc(O)cs2)C[C@H]1N1CCOCC1 880503452 YACGXZHGFVBFFY-CHWSQXEVSA-N 310.419 1.683 10 10 DDCE CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CC(N=[N+]=[N-])C1 1885562943 MYFVHMLPWQZEKE-VIFPVBQESA-N 313.383 1.818 10 10 DDCE COc1cc(N2CCS(=O)CC2)c([N+](=O)[O-])cc1OC 1162438493 XSFVIWKSHYLOJF-UHFFFAOYSA-N 300.336 1.181 10 10 DDCE CCc1nc(O)c(C(=O)NCc2c(O)cccc2O)cc1C 1178916774 AOHXFTFVELSKSO-UHFFFAOYSA-N 302.330 1.999 10 10 DDCE Cc1ncc(CNC(=O)C(=O)N(C)Cc2ccccc2O)s1 1323476427 DCONACZEGBXCSL-UHFFFAOYSA-N 319.386 1.432 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)CSc1n[nH]c(O)n1 1443816615 KENICYWMRZSVEX-UHFFFAOYSA-N 321.406 1.293 10 10 DDCE O=C(NC[C@@H](O)Cc1ccc(F)cc1)c1cccc(O)c1O 1455856053 XQSBMCDQLOMCNP-LBPRGKRZSA-N 305.305 1.570 10 10 DDCE CC(=O)NC1CCC(C(=O)NCc2cccc(O)c2O)CC1 1521851604 NIVJGOLOADLBML-UHFFFAOYSA-N 306.362 1.409 10 10 DDCE Cn1c(=O)oc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc21 1546246616 RLGIGPRTMFEXKD-UHFFFAOYSA-N 314.297 1.724 10 10 DDCE CC(C)N1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1=O 1542668842 DHNAANOIJZCNRQ-GFCCVEGCSA-N 317.349 1.588 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)[C@]2(F)CCOC2)cc1C 1715991708 SXWKEVHDKUPOKP-GUYCJALGSA-N 324.396 1.727 10 10 DDCE CC1(C)CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@]2(CCOC2)O1 1634917764 PKXHDFKNIPATHD-QGZVFWFLSA-N 321.373 1.437 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC(=O)OC1CCCCC1 1635266307 SWLINKZODAGLSO-UHFFFAOYSA-N 307.346 1.632 10 10 DDCE CN(Cc1ccccc1O)C(=O)N[C@H]1CCC2(C1)OCCO2 1564450750 SCNKBXUDDBFKMJ-ZDUSSCGKSA-N 306.362 1.829 10 10 DDCE COC(=O)N1CCC(C(=O)NCc2c(O)cccc2O)CC1 1645363446 VMCDMAYSUFEMJF-UHFFFAOYSA-N 308.334 1.192 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CN2CCC1CC2 1653229317 BVZLCEDZNQCMBL-KWEXDPCDSA-N 302.374 1.569 10 10 DDCE CO[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCOC1 1584223234 HHHOPYRPDAFXCL-WCQYABFASA-N 320.349 1.630 10 10 DDCE CCC[C@@H](C)N1C[C@@H](C(=O)NCc2c(O)cccc2O)CC1=O 1652622815 ITLSRAIAUADQJB-NEPJUHHUSA-N 320.389 1.751 10 10 DDCE CC(C)[C@@H](O)CNC(=O)NCc1ccc(N2CC=CC2)cc1 155687594 YJHBZUJSDXBVTA-INIZCTEOSA-N 303.406 1.879 10 10 DDCE NCC(=O)NCC(=O)Nc1ccc(Oc2ccc(N)cc2)cc1 1866015174 OHUWUUCOBMSGMI-UHFFFAOYSA-N 314.345 1.075 10 10 DDCE C[C@H]1CN(C(=O)CCNCc2ccc(N(C)C)cc2)C[C@@H](C)O1 1857862666 AHQYGXTWPUKOEF-GASCZTMLSA-N 319.449 1.868 10 10 DDCE CO[C@@H]1CN(c2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C 1894098704 LSXUHZDMVPHBGH-ZIAGYGMSSA-N 307.394 1.997 10 10 DDCE COC[C@](C)(CO)CNCc1cc(Br)ccc1O 1926990261 QKIVIXNMAUWFOA-ZDUSSCGKSA-N 318.211 1.889 10 10 DDCE O=S1(=O)CC[C@H]2CN(Cc3ccc(F)c(F)c3O)C[C@@H]21 2145073698 ZRKDXCFGRQKVRN-KWQFWETISA-N 303.330 1.289 10 10 DDCE NCCCCCS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 2145991806 ORISBZJQFHLALF-UHFFFAOYSA-N 303.340 1.171 10 10 DDCE C[C@H](O)c1ccc(N(C)CCN(C)S(C)(=O)=O)cc1Cl 2146930002 UVASPUOXOVALKK-JTQLQIEISA-N 320.842 1.721 10 10 DDCE C[C@@H]1CCN(c2ccc(CN)c(Br)c2)[C@H]1C(N)=O 2029785437 FHWWQUDNVIUGLE-PRHODGIISA-N 312.211 1.608 10 10 DDCE CN([C@@H]1CCSC1)S(=O)(=O)CCOc1ccc(N)cc1 70490581 QQWJOVJHVYHBFD-GFCCVEGCSA-N 316.448 1.415 10 10 DDCE NCc1cc(F)c(N2[C@H]3CC[C@H]2[C@@H](O)[C@@H](O)C3)cc1Cl 2190461579 UORPBWDJMNECOD-XBEUXYKBSA-N 300.761 1.401 10 10 DDCE O=S1(=O)C[C@H]2C[C@@H](CN(c3ccc(CO)c(Cl)c3)C2)C1 2185682074 SDBQQIIZPGKRAY-QWRGUYRKSA-N 315.822 1.703 10 10 DDCE Nc1ccc(CNS(=O)(=O)c2ccc(Cl)c(N)c2)cc1 2191637950 NXIWGZMJIFYQIQ-UHFFFAOYSA-N 311.794 1.983 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H](O)[C@@H](O)C2)cc1Br 2068371361 VTXCSORRHMQZQB-HJIKLVIJSA-N 315.211 1.401 10 10 DDCE CSc1ncc(CNC(=O)[C@]2(C)CC(F)(F)CN2)s1 2269097557 FHRDHDMHJDDHOJ-JTQLQIEISA-N 307.391 1.869 10 10 DDCE NCc1cc(F)c(N2CC[C@@H](OCCCO)C2)cc1Cl 2207079039 VGOGNYARVJCXMH-LLVKDONJSA-N 302.777 1.916 10 10 DDCE O=C1NC(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccc(O)cc1 2297344196 DKUIVNPQFJRYJZ-UHFFFAOYSA-N 324.292 1.764 10 10 DDCE C[C@](Sc1nccs1)(C(=O)O)[C@H]1CCCS(=O)(=O)C1 2351999578 ZVGYDCMCEZGHQH-GZMMTYOYSA-N 321.445 1.903 10 10 DDCE C[C@H](C1CC1)n1nccc1NC=C1C(=O)N(C)C(=O)N(C)C1=O 60865279 GLJOLZJEYFXPIV-SECBINFHSA-N 317.349 1.200 10 10 DDCE CCN(CCN=[N+]=[N-])S(=O)(=O)c1cncc([N+](=O)[O-])c1 2362981195 JROOXYMUTNNWCF-UHFFFAOYSA-N 300.300 1.311 10 10 DDCE O=S1(=O)CCC[C@](O)(CNCc2cccc(Cl)c2O)C1 2368444721 PVGIDXBKKJMHEB-ZDUSSCGKSA-N 319.810 1.075 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1)N1CCC(CCO)CC1 2166888018 ZZRXQVAOXBIPHB-UHFFFAOYSA-N 300.380 1.143 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 821807298 PQRRZGXJHCYEQF-MVWJERBFSA-N 301.346 1.672 10 10 DDCE CC[C@@H](C)NC(=O)CCNC(=O)/C=C\c1ccc(O)c(O)c1 588403902 GLJUVWUQEUXMIY-JPVGGKMYSA-N 306.362 1.532 10 10 DDCE COC(C)(C)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 730882312 LMPNNFYIIQHELA-UHFFFAOYSA-N 322.405 1.679 10 10 DDCE C[C@]12CCC(=O)N1[C@H](C(=O)NCc1c(O)cccc1F)CS2 928707834 CSBFJQMFWLDSLI-NHYWBVRUSA-N 324.377 1.602 10 10 DDCE C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1[C@H]2CN[C@H]1C2 925718675 ZALQGAATVZCVPR-ARKSPBFVSA-N 315.461 1.734 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H](C)n3ncnc32)c1 858602632 FCXKBCKONYFIHP-ZYHUDNBSSA-N 301.350 1.797 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cc3n[nH]c(C)n3)C2)cc1 855225208 PBXZQXOUEZRVJW-GFCCVEGCSA-N 315.377 1.059 10 10 DDCE CO[C@]1(CNC(=O)/C=C\c2ccc(O)c(O)c2)CCSC1 928506343 QVLWLMHFXSERSK-QTLSWZBMSA-N 309.387 1.749 10 10 DDCE CC(=O)N1CCO[C@@H](C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 935466534 ZILPJGYQNNYXSB-BLLLJJGKSA-N 319.405 1.177 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3nncn3CC2)c1 880837036 GGBZSUHHYFNRNH-GFCCVEGCSA-N 300.362 1.561 10 10 DDCE COc1ccccc1[C@H](O)CNC(=O)c1cccc(O)c1O 788640271 FDFKKQZNSGGVNJ-CYBMUJFWSA-N 303.314 1.570 10 10 DDCE CCN1CC[C@@H](NCc2cc(Br)ccc2O)C1=O 708731191 WDKVQZKPBLFOHT-LLVKDONJSA-N 313.195 1.865 10 10 DDCE CNCc1ccc(N2CC[C@@H](S(C)(=O)=O)C2)cc1Cl 2123323190 HXOWJWGQDPPPRM-GFCCVEGCSA-N 302.827 1.683 10 10 DDCE C[C@H](CCN(C)C)C(=O)NCc1ccc(N2CCOCC2)cc1 1626697139 CZPYZMOBPZYBCR-OAHLLOKOSA-N 319.449 1.727 10 10 DDCE C[C@H](OC[C@@H]1CCCCO1)C(=O)NCc1cc(O)ccc1O 1558175045 YXTUKUKTQXVCJH-FZMZJTMJSA-N 309.362 1.688 10 10 DDCE O=C(NCc1nc(O)n[nH]1)c1cc2cc(O)c(O)cc2s1 1630800917 WIXZQLSCSSIDRY-UHFFFAOYSA-N 306.303 1.066 10 10 DDCE Cc1cc(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n[nH]1 1632681026 LGGPVFHFCFTARV-JTQLQIEISA-N 303.362 1.809 10 10 DDCE C[C@@](O)(CCO)CNCc1c(O)cccc1Br 1966086041 VIEZYEAAURKXNH-GFCCVEGCSA-N 304.184 1.378 10 10 DDCE CN(CC(N)=O)c1ccc(/C=C/C(=O)O)c(C(F)(F)F)c1 167413101 LODWYACWWCZRRL-HWKANZROSA-N 302.252 1.725 10 10 DDCE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1[C@H](N)c1ccccc1O 1936987928 XABVYBALXVSINY-CQSZACIVSA-N 318.377 1.943 10 10 DDCE COc1cc(Br)cc([C@@H]2C[C@H](N)CN2C)c1O 1952699814 JCHDDRAWDGYLMD-WPRPVWTQSA-N 301.184 1.867 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CC(=O)NCCN=[N+]=[N-])C(F)F 1971513846 MJQLDJFKZJKGOW-SSDOTTSWSA-N 307.301 1.961 10 10 DDCE NCc1cc(F)c(N2CC[C@H](O)[C@H](F)C2)cc1Br 2027984842 AGSZARCTWFBIDG-PWSUYJOCSA-N 321.165 1.956 10 10 DDCE COC(=O)c1cccc(N)c1N[C@H](C)CCS(C)(=O)=O 2160762182 XMZNJYZTGYAQHC-SECBINFHSA-N 300.380 1.291 10 10 DDCE CN(CC[S@@](C)=O)c1cc(Br)c(CN)cc1F 398919585 CTFRRYGTNZXIOS-QGZVFWFLSA-N 323.231 1.862 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccn([C@H]2CC2(F)F)n1 2063961862 QDMZIRQGSRNJCQ-LBPRGKRZSA-N 309.272 1.804 10 10 DDCE CCCO[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@@H]1CN=[N+]=[N-] 2179618947 NJMNINAQHZMCSM-IJLUTSLNSA-N 302.400 1.353 10 10 DDCE CCOCCS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(N)cc1 2184222581 RGZANNSHBGYPMI-JTQLQIEISA-N 300.380 1.047 10 10 DDCE CCOCCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(N)cc1 2184222582 RGZANNSHBGYPMI-SNVBAGLBSA-N 300.380 1.047 10 10 DDCE O=C1CN(c2ccc(CO)cc2Br)[C@@H]2CC[C@H]2N1 2049367330 OJYWZUADLNESNW-ZYHUDNBSSA-N 311.179 1.409 10 10 DDCE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2ccc(O)c(O)c2)C1 2095711445 MYZUBFDAHAYJEG-PWSUYJOCSA-N 307.346 1.711 10 10 DDCE COc1ccc(Br)c(CN2CCC23CNC3)c1O 2220457455 UVECGPJRJDRCIR-UHFFFAOYSA-N 313.195 1.711 10 10 DDCE CS(=O)(=O)[C@@H](CNCc1c(O)cccc1Cl)C1CC1 2224610885 CGGURPUQMXQRSX-ZDUSSCGKSA-N 303.811 1.958 10 10 DDCE CCCN(CC(=O)O)C(=O)NCc1cnc(SC)s1 2269093088 MJHOTTBZQCZNKM-UHFFFAOYSA-N 303.409 1.871 10 10 DDCE CSc1ncc(CNC(=O)NC(C)(C)CC(=O)O)s1 2269119102 PAZKNTMXJAEJED-UHFFFAOYSA-N 303.409 1.918 10 10 DDCE C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CO)cc1F 2279422961 KEHJAMQLPSOULR-ZYHUDNBSSA-N 301.383 1.720 10 10 DDCE CC(C)CN1C(=O)C(=CNC2CCCCC2)C(=O)NC1=S 2295113261 XHLZSANNXYSJRD-UHFFFAOYSA-N 309.435 1.692 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(C(=O)OC)c(C)s1 2339766128 HNQBDTPXKDCLIC-UHFFFAOYSA-N 307.397 1.237 10 10 DDCE C[C@](Sc1nccs1)(C(=O)O)C1CCS(=O)(=O)CC1 2351875254 QYBQSFWSRTXNBV-LLVKDONJSA-N 321.445 1.903 10 10 DDCE CNC(=O)CCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 102428724 OWMBONZTEWFYMB-DHZHZOJOSA-N 322.411 1.730 10 10 DDCE CNS(=O)(=O)c1ccc(NCc2cc(N)ccc2O)cc1 37671314 WLBGDWQDWLVLAP-UHFFFAOYSA-N 307.375 1.495 10 10 DDCE COc1ccc(N(C)CCS(=O)(=O)C(C)C)c(OC)c1 132244431 JCJFDDRNKNGLDQ-UHFFFAOYSA-N 301.408 1.963 10 10 DDCE O=S(=O)(NCc1ccccc1O)c1cnc(Cl)s1 228409991 FVKFGCMGJFWEHS-UHFFFAOYSA-N 304.780 1.981 10 10 DDCE CN(C)C[C@@](C)(O)CNCc1cccc(Br)c1O 131467606 DWOZVBFYBTUQME-ZDUSSCGKSA-N 317.227 1.557 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1c1ccc(CN)c(Cl)c1 90921463 VSDPORTWDUMWMQ-LBPRGKRZSA-N 320.867 1.723 10 10 DDCE CN1CCN(c2ccc(CN3C[C@H]4COC[C@@H](C3)O4)cc2)CC1 802656110 DNKOMTRKMVOHKP-HDICACEKSA-N 317.433 1.038 10 10 DDCE CC(=O)C(=O)COC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 808508883 NZUCNDMGDOTBTN-UHFFFAOYSA-N 304.258 1.251 10 10 DDCE CC(=O)C(=O)COC(=O)C[C@](O)(c1ccc(C)o1)C(F)(F)F 808500008 DDNFFANQWQPDMQ-LBPRGKRZSA-N 322.235 1.429 10 10 DDCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](CCF)C(=O)O 908847163 KETVJQNSTVLYQY-AWEZNQCLSA-N 323.368 1.899 10 10 DDCE C[C@H](C1CC1)N(C)S(=O)(=O)NCc1c(O)cccc1F 921452237 INVWYWDXIMMUPK-SECBINFHSA-N 302.371 1.596 10 10 DDCE O=C(c1cc(O)cs1)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 854888478 NDQWZEAJBUWSJB-MWLCHTKSSA-N 301.389 1.245 10 10 DDCE COc1ccc(N2CC[C@H](Nc3ncnc(N)c3OC)C2)cc1 853759918 DQTPSZRZKIABRI-NSHDSACASA-N 315.377 1.767 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccon3)no2)c1 762327262 NMQYWVOLSVZLEF-UHFFFAOYSA-N 322.302 1.469 10 10 DDCE CC(C)[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 1116996451 KDMKLZJGPLSJBS-HNNXBMFYSA-N 317.433 1.873 10 10 DDCE CON(CC(=O)NCCCCN=[N+]=[N-])C(=O)OC(C)(C)C 1885563469 VDSDKNCQQVGXOE-UHFFFAOYSA-N 301.347 1.992 10 10 DDCE Cn1ncc(C(F)(F)F)c1C(=O)NCc1cc(O)ccc1O 1153886066 UZKPFYNKXLAKCG-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE CN1CCN(c2ccc(CNc3cn(C)nn3)cc2F)CC1 1262166810 PXSRUWPVVUCMSY-UHFFFAOYSA-N 304.373 1.318 10 10 DDCE CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1539393759 FVDQCMYWXWJGOP-NSHDSACASA-N 324.362 1.108 10 10 DDCE COC(=O)[C@H](Cc1ccncc1)NC(=O)c1cccc(O)c1O 1468407961 BBYQAWBMVSGYNT-LBPRGKRZSA-N 316.313 1.007 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCC[C@@H]2C=NNC2=O)cc1 1641483203 FDYKVTKRPKKJPZ-SNVBAGLBSA-N 316.321 1.091 10 10 DDCE CC(C)(NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)C(F)(F)F 1644119996 UIHAPCUEGDPKPR-LLVKDONJSA-N 307.268 1.458 10 10 DDCE C[C@H](NC(=O)c1ccccc1OCC(N)=O)c1ccccc1O 1648891966 JYJBTEHTUPMXFQ-NSHDSACASA-N 314.341 1.747 10 10 DDCE CC(=O)N[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)C1 153862495 IXKCHYBMUSKCST-QGZVFWFLSA-N 317.433 1.624 10 10 DDCE Cc1cc(C(=O)N2CCOc3ccc(N(C)C)cc3C2)n[nH]1 825262191 WVQBCMWACWKVHJ-UHFFFAOYSA-N 300.362 1.819 10 10 DDCE CC(C)[S@@](C)(=O)=NS(=O)(=O)CCOc1ccc(N)cc1 1913870697 QNADWPANQAHQDT-LJQANCHMSA-N 320.436 1.484 10 10 DDCE Oc1cccc(Br)c1CNC[C@@H]1COC[C@H]1O 1948505331 TWVLSQCDKQLFEO-PRHODGIISA-N 302.168 1.252 10 10 DDCE CC(C)(C)OC(=O)N1CCC(N)(c2ccc(O)c(O)c2O)CC1 1952524973 BQVXIIGMYCWRET-UHFFFAOYSA-N 324.377 1.988 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1COCCN1Cc1ccc(N)cc1 1977924605 CSOOVMAEOUAKNM-OAHLLOKOSA-N 321.421 1.994 10 10 DDCE C[C@H](O)CN(CCO)c1ccc(CN)c(Br)c1F 310886106 XBJCILOSDIUXHW-QMMMGPOBSA-N 321.190 1.226 10 10 DDCE Nc1ccc(NC(=O)CCCN2CCCC3(C2)OCCO3)cc1 322382809 NRMJGEDAGJWNBK-UHFFFAOYSA-N 319.405 1.826 10 10 DDCE Cc1ccc(O)c(CNCCNS(=O)(=O)C(F)(F)F)c1 2159524013 CPBIPYCMMLBLGZ-UHFFFAOYSA-N 312.313 1.229 10 10 DDCE O=S1(=O)C=C[C@H](NCc2ccc(Br)cc2O)C1 691439008 ADPZVNZMBHUJCX-JTQLQIEISA-N 318.192 1.555 10 10 DDCE CC[C@@H](NC(=O)c1cnn2c(O)cc(C)nc12)C(F)(F)F 2064783274 CNKMHKCKISGFRG-MRVPVSSYSA-N 302.256 1.814 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)[C@H](C)c3ccncc3)c2n1 2064905111 SUVQKZPKABRTFG-LLVKDONJSA-N 311.345 1.972 10 10 DDCE Oc1ccc(Br)cc1CN1CCN[C@H]2COC[C@@H]21 2068834910 YVHFDFFBJXAGLK-RYUDHWBXSA-N 313.195 1.327 10 10 DDCE COc1cc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)ccc1CN 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CC(C)C(=O)N1CCC[C@@H]1C(=O)NCc1c(O)cccc1F 928712049 NMZSTCBYMRHLOF-CYBMUJFWSA-N 308.353 1.795 10 10 DDCE C[C@@H](NC(=O)N1CCC(=O)N(C)CC1)c1ccc(N(C)C)cc1 854003288 HGMHNXKBDGBTEF-CYBMUJFWSA-N 318.421 1.687 10 10 DDCE O=C(CCc1nn[nH]n1)NCc1ccc(N2CCCCC2)cc1 865031408 NTXQVTJAKGUFKG-UHFFFAOYSA-N 314.393 1.439 10 10 DDCE COc1cccc(CNC(=O)c2c[nH]nc2[C@H]2CCCO2)c1O 866762905 FQMYXJJCUZJTCC-GFCCVEGCSA-N 317.345 1.905 10 10 DDCE CCNC(=O)CCCC(=O)NCc1ccc2cccnc2c1O 862027956 KZPFNQOWUBBPFP-UHFFFAOYSA-N 315.373 1.863 10 10 DDCE O=C1OCC[C@@H]2CN(Cc3cc4c(cc3O)CCC4)CCN12 763322252 RWTRKLMDYXIFPP-OAHLLOKOSA-N 302.374 1.907 10 10 DDCE CC[C@]1(O)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 777841397 JWFILQCBXQSHEO-AWEZNQCLSA-N 307.306 1.277 10 10 DDCE COCCN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CCOC1 787334903 NCUPDLRCBDKSSN-GOSISDBHSA-N 320.433 1.761 10 10 DDCE COc1ccc(CNS(=O)(=O)Cc2cc(C)on2)c(O)c1 795358020 JZSTUNFLZVVYSA-UHFFFAOYSA-N 312.347 1.317 10 10 DDCE CNC(=O)C1CCC(NC(=O)NCc2ccc(N)cc2)CC1 1336238536 FHZVSJZNWIGZEF-UHFFFAOYSA-N 304.394 1.373 10 10 DDCE CCc1nc(CNC(=O)NCc2cccc(OC)c2O)co1 1228487967 OEYGNISZQAAADB-UHFFFAOYSA-N 305.334 1.951 10 10 DDCE Nc1ccc(CS(=O)(=O)NCCO[C@H]2CC2(F)F)cc1 690663915 JLRIHUSUZWVUAI-NSHDSACASA-N 306.334 1.112 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2cnon2)cc1C 1716417821 PCWZHGQHFKTPFN-LLVKDONJSA-N 304.350 1.295 10 10 DDCE O=C(N[C@@H](CO)[C@H]1CCOC1)c1cc2cc(O)c(O)cc2s1 1624232483 KXQBOSAQDYCOQY-WPRPVWTQSA-N 323.370 1.440 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc2ccnn12 1638347028 AUBDYXBXKQESNG-SNVBAGLBSA-N 312.329 1.502 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCOc1ccc(Cl)cn1 1630465413 ZCCXFFHZQAZJPA-UHFFFAOYSA-N 322.748 1.884 10 10 DDCE COCC(COC)(COC)NCc1c(O)cccc1Cl 2150512517 STCNCNCBDMJHNS-UHFFFAOYSA-N 303.786 1.813 10 10 DDCE NCc1ccc(N2CCC3(CC2)CC(=O)N3)c(Br)c1 2142867527 OXGPCKJCSCBJCY-UHFFFAOYSA-N 324.222 1.767 10 10 DDCE CC(C)(C)OC(=O)NC[C@]1(c2cc(O)nc(O)c2)CCNC1 1952695397 HUKLHSYIWXFPQR-HNNXBMFYSA-N 309.366 1.249 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980372063 YJMHPXVFNGGEIG-ZDEQEGDKSA-N 324.421 1.803 10 10 DDCE NCc1ccc(N2CCC[C@]23CC[S@@](=O)C3)c(F)c1F 2158464308 GHBDPJWBUCMHGQ-JLTOFOAXSA-N 300.374 1.915 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl 2151275794 QFPAAEUGUDPWIQ-IMSIIYSGSA-N 314.838 1.983 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CNC[C@H]1CN2CCN1CC2 394681012 CNDZQNAVYXJAIS-LBPRGKRZSA-N 316.232 1.788 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3[C@@H](CO)CO[C@H]3C2)cc1Cl 2178087130 PGBCOQGPNGPWIL-RBZYPMLTSA-N 300.761 1.381 10 10 DDCE CCCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H]1CN=[N+]=[N-] 2179612985 NJMNINAQHZMCSM-GRYCIOLGSA-N 302.400 1.353 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)CCC(F)(F)CO 2178724172 LMNVCGSOTCLBIA-UHFFFAOYSA-N 309.334 1.172 10 10 DDCE CNCc1ccc(N2CC[C@@H](O)[C@H](O)C2)cc1Br 2068376538 JCMKJWJFMCWCEM-CHWSQXEVSA-N 315.211 1.100 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)[C@H]1CC[C@H](CO)C1 2101586551 KQWAIQPIUOUOSF-WPRPVWTQSA-N 305.783 1.948 10 10 DDCE NC(=O)[C@H]1CCN1c1ccc(CNC2CC2)c(Br)c1 2089363982 YIWXLXRKPOBDDS-CYBMUJFWSA-N 324.222 1.765 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@H]2CCCC[C@@H]2O)s1 2269123652 KTSIXEGTWOQDEJ-UWVGGRQHSA-N 322.477 1.588 10 10 DDCE CCN[C@H]1COC[C@H]1C(=O)NCc1cnc(SC)s1 2269206332 YQGBQDWNHMEDIT-ZJUUUORDSA-N 301.437 1.106 10 10 DDCE Oc1ccc(Br)cc1CNCCc1c[nH]nc1O 2223778751 IIKPZVZJWATCIV-UHFFFAOYSA-N 312.167 1.916 10 10 DDCE CSc1ncc(CNS(=O)(=O)CCNC(C)C)s1 2257137360 UVSPRQXGYWXIBI-UHFFFAOYSA-N 309.482 1.282 10 10 DDCE Cc1cc(C=C2SC(=N)NC2=O)ccc1N1CCOCC1 2294440396 IRLJZKQAJXYSFS-UHFFFAOYSA-N 303.387 1.970 10 10 DDCE CSc1ncc(CNC(=O)[C@]23CCOC[C@@H]2CNC3)s1 2284494635 PNJLXBBMEQNHGS-ZANVPECISA-N 313.448 1.107 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H]2[C@@H]3CO)c(Br)c1 2311889168 RYSHWRWOXNTBOE-WDMOLILDSA-N 311.223 1.986 10 10 DDCE Cc1ccc(CN2C[C@@H](O)C[C@@H](N)C2)c(O)c1Br 2327621699 QBMFQRXPOAOUBV-MNOVXSKESA-N 315.211 1.357 10 10 DDCE O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@H]21 4132653 CTXNQOWRJIPUOM-KJNMHVQDSA-N 304.258 1.831 10 10 DDCE CC[C@H](O)CN1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 173459030 VXMFWYRYYDTCFH-AWEZNQCLSA-N 309.366 1.189 10 10 DDCE NC[C@@H](N)c1cc(Br)c(Cl)c([N+](=O)[O-])c1O 309269205 YTEJNSIRFJCGAP-RXMQYKEDSA-N 310.535 1.675 10 10 DDCE Nc1ccc(O)c(CNS(=O)(=O)CCc2ccccn2)c1 37661493 OYEZFVAKEQSWDA-UHFFFAOYSA-N 307.375 1.032 10 10 DDCE CNC(=O)CN(CC(=O)NC)c1ccc(OC2CCCC2)cc1 31465293 IFTLMJRGQHLWTA-UHFFFAOYSA-N 319.405 1.306 10 10 DDCE CCOCCN1CCN(C(=O)c2ccc(C)c(O)c2O)C[C@H]1C 182464528 SLCJQTOEUGXFCW-CYBMUJFWSA-N 322.405 1.589 10 10 DDCE COCCN1[C@H](C)CN(C(=O)c2ccc(C)c(O)c2O)C[C@H]1C 182892010 CGLMDGKSXDRREO-CHWSQXEVSA-N 322.405 1.587 10 10 DDCE CCCC(=O)NCC(=O)NCc1c(O)ccc2c1CCCC2 75159944 VPGGCKYOBZNEQX-UHFFFAOYSA-N 304.390 1.804 10 10 DDCE Cc1nn(C)cc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 194008329 MTKAPUSDOBJUNY-SECBINFHSA-N 304.350 1.892 10 10 DDCE CNCCCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255116435 NDANOZRVXUCFIU-YVMONPNESA-N 303.406 1.262 10 10 DDCE CC(=O)NC1CCC(NCc2cc3c(cc2O)OCO3)CC1 263668127 JEOCAFCBAVSABM-UHFFFAOYSA-N 306.362 1.658 10 10 DDCE CC(C)[C@](C)(CO)NCC(=O)N(C)Cc1ccc(N(C)C)cc1 810075675 RYSUXSINDSTAPL-SFHVURJKSA-N 321.465 1.708 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CC[C@H](O)C1(C)C 812865968 UUNCJTCPPRHBIR-INIZCTEOSA-N 319.449 1.556 10 10 DDCE COc1ccc(O)c(CNC(=O)c2nn3c(c2C)OCCC3)c1 825839106 KGSJTJBFVOBTNZ-UHFFFAOYSA-N 317.345 1.618 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC1CCN(C2CC2)CC1 588403793 PMHKADAYLZWBFB-KXFIGUGUSA-N 302.374 1.854 10 10 DDCE OCC1CCN(c2ccc(CNC[C@H](O)C3CC3)cc2)CC1 843066057 RSQSVXLTNQSTLM-SFHVURJKSA-N 304.434 1.756 10 10 DDCE Cc1ccc(CN(C)C(=O)C(=O)NCCc2ccc(N)cc2)o1 842238158 JHOXTWWBVWLQRF-UHFFFAOYSA-N 315.373 1.488 10 10 DDCE Cc1cc(Br)c(O)c(CN2CC(C)(C(N)=O)C2)c1 843415433 FQGUCXNZNYOYNR-UHFFFAOYSA-N 313.195 1.770 10 10 DDCE C[C@@H](C(=O)NCC(F)(F)F)N1CCCc2cc(CN)ccc21 843349829 FMCKOWDXTIKWLM-JTQLQIEISA-N 315.339 1.965 10 10 DDCE O=C1OCCN1[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 853541133 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CN1CC(CN(C)C(=O)NCc2ccc(N(C)C)c(F)c2)C1 1327662829 QLHZRNQOKJJSGG-UHFFFAOYSA-N 308.401 1.595 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CCc2cc(Cl)nnc2C1 1183771740 MUEIVIFCQKHOBD-UHFFFAOYSA-N 323.711 1.879 10 10 DDCE COc1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)sn1 717672084 MEATWHDFDWNBLZ-UHFFFAOYSA-N 304.324 1.797 10 10 DDCE CCS(=O)(=O)[C@H]1CSCCN1c1ccc(CN)cc1C 90926349 DJZRMJZSQZEDDH-AWEZNQCLSA-N 314.476 1.768 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O 1451663364 CJLIGZIWRBVUNG-GLQYFDAESA-N 303.406 1.230 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 1472745237 PYFCZBNXPZEDGT-VWHOVGTBSA-N 320.345 1.988 10 10 DDCE COCC(=O)N[C@@H](CNCc1ccc(OC)c(C)c1)C1CC1 1483537064 SVWWMYHNYCHBOO-HNNXBMFYSA-N 306.406 1.634 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cnc(OCC2CC2)cn1 1639292992 ZCSJKKHEKPTHOI-UHFFFAOYSA-N 315.329 1.607 10 10 DDCE C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C 1639236656 DEYGBXWERDQTHL-SNVBAGLBSA-N 309.362 1.734 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCCN1CC(F)F 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NCc1cc(F)c(N2CC[C@H](C(CO)CO)C2)cc1Cl 2177381307 LOXDNQAENGGMFT-VIFPVBQESA-N 302.777 1.365 10 10 DDCE Oc1cccc(Br)c1CN1CCO[C@@H]2CNC[C@H]21 686534376 GTWKAJMJZJIDQY-DGCLKSJQSA-N 313.195 1.327 10 10 DDCE CNC(=O)NCCNCc1ccc(Br)cc1O 691414655 NNWAWMRLNPJBMD-UHFFFAOYSA-N 302.172 1.173 10 10 DDCE CNCc1ccc(N(C)CCCS(C)(=O)=O)cc1Cl 694159908 NSWHCJDNWDDECX-UHFFFAOYSA-N 304.843 1.930 10 10 DDCE O=C(O)c1cn(Cc2c(O)cccc2Br)nc1O 2070595075 UYDAFGBLTCRRJA-UHFFFAOYSA-N 313.107 1.803 10 10 DDCE Cc1cc(NS(=O)(=O)C2CC3(C2)OCCO3)c(C)cc1O 2263518321 CHCWYIYGZGOMJV-UHFFFAOYSA-N 313.375 1.656 10 10 DDCE CO[C@H]1CNCC[C@@H]1C(=O)NCc1cnc(SC)s1 2269202278 RLKPECZYPOYSFE-UWVGGRQHSA-N 301.437 1.106 10 10 DDCE Nc1ccc(CN(C2CC2)S(=O)(=O)C2CCOCC2)cc1 50199131 ZRPJHIJHUJABEB-UHFFFAOYSA-N 310.419 1.742 10 10 DDCE COc1ccc(N2CCN([C@@]3(CN)CCSC3)CC2)cc1 20549069 JKEBOPFHVKGQJR-MRXNPFEDSA-N 307.463 1.652 10 10 DDCE CNCc1ccc(N(C)CCOCCO)cc1Br 306004866 LKVAEOHMZZZUOH-UHFFFAOYSA-N 317.227 1.614 10 10 DDCE Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(O)c1O 179524320 YEJVHRCOPNIONE-OCCSQVGLSA-N 320.389 1.199 10 10 DDCE O=S(=O)(Nc1cccc(CO)c1)c1cccc2nsnc12 37976960 KLOAPVGJPXSRKT-UHFFFAOYSA-N 321.383 1.984 10 10 DDCE C[C@]1(CNC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)CCCS1 124226137 QPWXVVPLBPOIJE-XHDPSFHLSA-N 310.419 1.370 10 10 DDCE CN(CC1(CO)CC1)C(=O)NCc1ccc(N2CC=CC2)cc1 187202851 MUAFSFIIOQGKPO-UHFFFAOYSA-N 315.417 1.977 10 10 DDCE CC[C@H](NC(CO)CO)c1cc(Br)ccc1O 87749624 HXGKYGVBHLGCDD-NSHDSACASA-N 304.184 1.549 10 10 DDCE Nc1ccc(NC(=O)CCSc2nc(N)cc(N)n2)cc1 41023462 CEAKAXYSWOMLEZ-UHFFFAOYSA-N 304.379 1.344 10 10 DDCE COc1cc(Cl)c(N2C[C@H](CO)C[C@H]2CO)c(OC)c1 2368266809 JQYHJZYGOJMQLE-ZJUUUORDSA-N 301.770 1.537 10 10 DDCE CCNC(=O)CN(C)c1ccc(CNC)cc1Br 233476225 WEUPMSXNHWVYFF-UHFFFAOYSA-N 314.227 1.741 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)N2CCOc3ncccc32)c1 255216163 YQXOULZDJVVFQF-PLNGDYQASA-N 324.340 1.275 10 10 DDCE C[C@H](NC[C@]1(CO)COCC2(CCC2)N1C)c1ccccc1O 527944661 AXWDFBRPQMGBBT-KSSFIOAISA-N 320.433 1.659 10 10 DDCE C[C@H](N[C@H]1CCCNC1=O)c1ccc(N2CCOCC2)c(F)c1 296390447 KADFTCKEKUQGMN-WFASDCNBSA-N 321.396 1.592 10 10 DDCE Cc1cccc(CN[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1O 800541618 OIRKWJISGFOHPJ-TZMCWYRMSA-N 312.435 1.508 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H](N)C(F)(F)F)CC2)cc1 825721638 RAPKJEZHRIHDAG-LBPRGKRZSA-N 317.311 1.233 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)C2CN(C)CCN(C)C2)c1 907059915 JLBSUIIRKLLLFG-LBPRGKRZSA-N 321.421 1.071 10 10 DDCE CCCN1CC(=O)N([C@H]2CCN(c3ccc(OC)cc3)C2)C1=O 849357317 LJNJBJQKDGPZIB-AWEZNQCLSA-N 317.389 1.948 10 10 DDCE CCN(C)c1ccc(CN2CCn3nnc(CO)c3C2)cc1 844334590 XZDCMUCEDGLPPK-UHFFFAOYSA-N 301.394 1.242 10 10 DDCE COc1ccc2c(c1)CCCN2Cc1coc(S(N)(=O)=O)c1 851723211 WRXHTKBFUPMDRA-UHFFFAOYSA-N 322.386 1.888 10 10 DDCE C[C@]1(C2CC2)CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1 853529169 QQAYVBUSLCWSNZ-NVXWUHKLSA-N 305.374 1.819 10 10 DDCE CN(Cc1cc(O)n2ncc(C(=O)O)c2n1)C[C@H]1CC1(C)C 853084947 PLVASLKGKZVUBH-SECBINFHSA-N 304.350 1.611 10 10 DDCE CCn1nnc(C)c1CNC(=O)/C=C/c1ccc(O)c(O)c1 862082569 KKXJUXKPSSMCHU-FNORWQNLSA-N 302.334 1.347 10 10 DDCE CO[C@@H]1CN(Cc2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C 1895762706 AMUAHDRVNZSLLC-HUUCEWRRSA-N 321.421 1.993 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NCc1ccc(O)cc1O 1898129107 UHRFKLOFVRJJBV-CHWSQXEVSA-N 324.377 1.480 10 10 DDCE CCN(CC)c1ccc(CNC(=O)NCc2nc(N)n[nH]2)cc1 1313165721 WXYXVXURXZICQG-UHFFFAOYSA-N 317.397 1.233 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)/C=C\C(=O)N(C)C 1162113737 HAKAZVHAQOONBY-CFYYFVFUSA-N 317.433 1.753 10 10 DDCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1ccc(Br)s1 85224381 ZQGRELIBOGTJDT-SSDOTTSWSA-N 304.173 1.937 10 10 DDCE COCCOC1CCC(C(=O)NCc2cc(O)ccc2O)CC1 1455354617 PNDWDOACUWBDJY-UHFFFAOYSA-N 323.389 1.936 10 10 DDCE O=C(CNC(=O)NC1CCCCC1)NCc1c(O)cccc1O 1456236858 RCTFHVSBZUTQSR-UHFFFAOYSA-N 321.377 1.346 10 10 DDCE CCN(CCO)c1ccc(CNCCCN(C)C)cc1OC 212677299 HRSGECCJWZVWKY-UHFFFAOYSA-N 309.454 1.555 10 10 DDCE CC(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 6509313 WHNDGNOAGAWLGC-UHFFFAOYSA-N 307.306 1.035 10 10 DDCE C[C@@H](Oc1cccc(/C=C2\SC(=S)N(N)C2=O)c1)C(=O)O 16905027 NDWGGWLPHWEERQ-LWYMYGMPSA-N 324.383 1.613 10 10 DDCE O=C(NCCCO)c1cccc2c1C(=O)c1ccccc1C2=O 162766016 WTMSNEHVMCEAHF-UHFFFAOYSA-N 309.321 1.574 10 10 DDCE CC(=O)Nc1nnc(S(=O)(=O)Nc2ccc(O)cc2)s1 228651386 FAZMNAFFALABPP-UHFFFAOYSA-N 314.348 1.003 10 10 DDCE CSCC[C@H](O)CCNS(=O)(=O)Cc1ccc(N)cc1 2146566386 JBETYFAJXKOANJ-CYBMUJFWSA-N 318.464 1.192 10 10 DDCE C[C@H](O)c1ccc(N2CCNC(=O)C(F)(F)C2)c(Cl)c1 2146725953 PHUCPUXZPAAACW-QMMMGPOBSA-N 304.724 1.965 10 10 DDCE CC[C@@H](O)c1ccc(N(C)CCN(C)S(C)(=O)=O)cc1 2146927156 NSRZJZNLXSSNSD-CQSZACIVSA-N 300.424 1.458 10 10 DDCE CCOC(=O)c1cnc(Sc2nnnn2CCOC)s1 706506909 VKZPSHKDRGWDGN-UHFFFAOYSA-N 315.380 1.104 10 10 DDCE CN(CCO)CCN(C)c1ccc(CN)c(Br)c1 691297854 KBACGVZSSAWDGK-UHFFFAOYSA-N 316.243 1.268 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCc3c(C)nn(C)c3C)c2n1 2062456860 GLBKJBHRZOYDCB-UHFFFAOYSA-N 314.349 1.024 10 10 DDCE 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DQTLDKRCFWRWGC-UHFFFAOYSA-N 314.389 1.821 10 10 DDCE CCOC(=O)N(CCN)C(=S)N(C(C)=O)c1ccc(N)cc1 242754278 DIPMRCFFHALUBN-UHFFFAOYSA-N 324.406 1.324 10 10 DDCE O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\c1ccccn1 380912239 NIYVVXVDJYNRFM-UVTDQMKNSA-N 307.309 1.744 10 10 DDCE CC(=O)C(=O)COC(=O)C[C@@H](c1ccccc1)N1CCOC1=O 808513623 HUGXHWGCGSGCGQ-ZDUSSCGKSA-N 319.313 1.271 10 10 DDCE Cc1cc(CC(=O)NC2(C(N)=O)CC2)c(C)n1-c1ccccc1 830080764 YQLPVKDLTMJMBL-UHFFFAOYSA-N 311.385 1.771 10 10 DDCE Oc1cc2c(cc1CN1C[C@H]3CC[C@H]1[C@H]1CNC[C@H]31)OCO2 903962581 KIAWPIQUQGFTJE-ZZVYKPCYSA-N 302.374 1.551 10 10 DDCE NC(=O)[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 846047472 YZKSDZGJMYZFDB-BETUJISGSA-N 307.369 1.016 10 10 DDCE COc1ccc(N2CC[C@H](N3C(=O)NC(C)(C)C3=O)C2)cc1 849356947 IILBERMPENHPBH-LBPRGKRZSA-N 303.362 1.604 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@@]12C[C@H]3C[C@@H](C(=O)N1)[C@H]2C3 845790885 FZJQSMJKTHBXBU-VDXNLZSASA-N 300.358 1.265 10 10 DDCE COc1cc(O)c(CN2C[C@@H]3[C@@H](C2)[C@H]2CC[C@H]3CN2)cc1OC 863653451 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1.603 10 10 DDCE C[C@H]1C(=O)N(C)CN1Cc1ccc(N2CCN(C)CC2)c(F)c1 1118268227 UCGCHKAJSRBCBX-ZDUSSCGKSA-N 320.412 1.198 10 10 DDCE COCC[C@H](C)S(=O)(=O)Nc1ccc(O)cc1C(=O)O 776434874 OWNVQACQZJNBSK-QMMMGPOBSA-N 303.336 1.257 10 10 DDCE Cc1cccc(CN2CCN(Cc3nccn3C)CC2)c1O 775681662 QESBBPJSTXTNFY-UHFFFAOYSA-N 300.406 1.752 10 10 DDCE CS(=O)(=O)N1CCCC[C@H]1CNCc1ccc2c(c1)CCO2 796508756 CNHZGCFTBHUQQT-HNNXBMFYSA-N 324.446 1.525 10 10 DDCE Cc1ccc(C)n1-c1ccc(C(=O)NC[C@](C)(O)CO)cc1 798264648 ONPXQSHKXDVARJ-KRWDZBQOSA-N 302.374 1.567 10 10 DDCE CCOC(=O)NCC(=O)NCc1c(O)ccc2ccccc12 1157037079 MOGSPEOSGWPWIJ-UHFFFAOYSA-N 302.330 1.908 10 10 DDCE CCc1cc2c(=O)n(Cc3ccc(N)cc3)c(=O)[nH]c2s1 74371824 KVBLBLAGAFEWFX-UHFFFAOYSA-N 301.371 1.944 10 10 DDCE O=C(O)C[C@@H](NCc1ccc2c(c1)CCO2)C1CCOCC1 1321864014 YNLTXGZPRGPKAO-OAHLLOKOSA-N 305.374 1.981 10 10 DDCE Cn1ncc2c1C[C@H](C(=O)NCc1c(O)cccc1O)CC2 1456233946 GVCBONIMGLZFGX-SNVBAGLBSA-N 301.346 1.253 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2cc(C)ccc2O)cn1 1470254479 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DDCE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1[C@@H](N)c1ccccc1O 1928481182 SDSAQVYZVXJYQE-BZPMIXESSA-N 308.378 1.932 10 10 DDCE COc1ccc(O)c([C@H](C)N[C@@H](C)[C@@H](C)S(C)(=O)=O)c1 1970398770 CYZDBJKJHCDONC-GARJFASQSA-N 301.408 1.873 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H]1c1cc(O)c(O)c(O)c1 1952305858 FCUHSSGLCQPTBW-SKDRFNHKSA-N 310.350 1.813 10 10 DDCE CC1(NC(=O)OC(C)(C)C)CN(C(=O)c2ccc(O)c(O)c2)C1 1982309463 FQQRVZTZOOSPTJ-UHFFFAOYSA-N 322.361 1.837 10 10 DDCE Cc1nc(O)sc1S(=O)(=O)N[C@@H](C)c1ccccc1O 2192622847 CAVSGKWODXIQOR-ZETCQYMHSA-N 314.388 1.902 10 10 DDCE O=C(O)CC1(O)CN(Cc2cc(Br)ccc2O)C1 2048109304 QGWXXKUJHUGACM-UHFFFAOYSA-N 316.151 1.176 10 10 DDCE C[C@@H](NCc1c(O)cccc1Cl)[C@H]1CCS(=O)(=O)C1 2089886397 DQMLYYHMHUXXGC-ZJUUUORDSA-N 303.811 1.958 10 10 DDCE C[C@@](O)(CO)[C@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2202839195 CWEPSHRBKSQDRX-IINYFYTJSA-N 302.777 1.507 10 10 DDCE Cc1cccc(CNS(=O)(=O)CC(C)(C)C(=O)O)c1O 2290077233 JYJIKJUUSLALFG-UHFFFAOYSA-N 301.364 1.231 10 10 DDCE COc1ccc(C=C2C(=O)NC(=O)N(c3cccnc3)C2=O)cc1 2293897174 WQQXNUWNHLETLC-UHFFFAOYSA-N 323.308 1.757 10 10 DDCE CSc1ncc(CNC(=O)[C@@]23CCC[C@@]2(F)CNC3)s1 2284495765 CCVZCGZVWOWDSC-QWHCGFSZSA-N 315.439 1.963 10 10 DDCE O=C1NN(c2ccccc2)C(=O)C1=Cc1ccc2c(c1)OCO2 2297320876 ZAWWTLSEDJEYJA-UHFFFAOYSA-N 308.293 1.877 10 10 DDCE COC(=O)CC[C@H]1C[C@@H](N)CN(c2ccc3c(c2)OCO3)C1 108216628 RMIIWTHHXYDSBA-NWDGAFQWSA-N 306.362 1.522 10 10 DDCE CC[C@@H]1NCC[C@]1(NCc1cnc(SC)s1)C(=O)O 2350347475 HDWZKRTWBCPWSW-JOYOIKCWSA-N 301.437 1.550 10 10 DDCE NCc1cnnn1-c1cccc2c1C(=O)c1ccccc1C2=O 62265703 SOVKOSLPSKIHTI-UHFFFAOYSA-N 304.309 1.501 10 10 DDCE CCN(Cc1ccc(N)cc1)S(=O)(=O)c1cn(C)c(C)n1 50252701 JUBWASALASLYEX-UHFFFAOYSA-N 308.407 1.522 10 10 DDCE COc1ccc(O)c(CNC(=O)c2cnc(N)c(Cl)c2)c1 114540897 SVONGYKSKZVHSH-UHFFFAOYSA-N 307.737 1.961 10 10 DDCE CN(C)[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 301695713 PPFNMNPZWGZAEL-JTQLQIEISA-N 320.349 1.456 10 10 DDCE CC(C)[C@@H]1SC[C@H](C(=O)O)N1C(=O)Cc1ccc(N)cc1 111417719 IVLXFJOEBRFOOT-OCCSQVGLSA-N 308.403 1.822 10 10 DDCE CCCN(Cc1ccccc1O)C[C@H](O)CN1CCCC1=O 76074041 ZNMLMGCHFOOXMN-HNNXBMFYSA-N 306.406 1.588 10 10 DDCE CC(C)S(=O)(=O)N(C)Nc1nc(C2CC2)c(C(=O)O)s1 2365284537 IBMIDPFXWBJVJV-UHFFFAOYSA-N 319.408 1.716 10 10 DDCE CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2C(=O)[C@H]1N=[N+]=[N-] 198688439 IBENCMCAEHXXCP-HECBCWNYSA-N 305.290 1.720 10 10 DDCE CS(=O)(=O)C[C@@H](N)c1c(Br)ccc(F)c1O 95780841 XCQIGHZKFYQDOC-SSDOTTSWSA-N 312.160 1.338 10 10 DDCE COC[C@H](O)CNCc1cc(C)cc(Br)c1O 801733193 RDABINFLUUMGQD-SNVBAGLBSA-N 304.184 1.560 10 10 DDCE C[C@@H](N[C@H]1C[C@@H](C(N)=O)C1)c1ccc(N2CCOCC2)c(F)c1 846188424 GBQFPJUFFOETFW-BNOWGMLFSA-N 321.396 1.577 10 10 DDCE C[C@@H]1OCC[C@@H]1S(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 844783083 RFSMFKDTQWHTLS-CPCISQLKSA-N 301.320 1.010 10 10 DDCE O=C(NCCC(=O)N1CCCCC1)NCc1c(O)cccc1F 914064019 AXEOZPPAAKPEKR-UHFFFAOYSA-N 323.368 1.733 10 10 DDCE Cc1cc(N(C)C)ccc1CNC[C@@H](O)CN1CCCC1=O 840932762 TZIMBVOIMMFGKK-MRXNPFEDSA-N 305.422 1.134 10 10 DDCE Cc1ccc(C(=O)N[C@H]2CCCN3CCSC[C@@H]23)c(O)c1O 928089893 LWRLWXPGIZHBNI-STQMWFEESA-N 322.430 1.716 10 10 DDCE COC(=O)NCCC(=O)NCc1ccc2cccnc2c1O 862028218 UKKVTZWXXYCMPC-UHFFFAOYSA-N 303.318 1.303 10 10 DDCE COC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)[C@H]1CCCO1 868556336 KNPHWXDXAPPLMZ-NJZAAPMLSA-N 308.378 1.946 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CC[C@H](C(F)F)C2)cc1 761115089 ZIXGCEZEVYBKOV-ZDUSSCGKSA-N 311.376 1.956 10 10 DDCE C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[S@@](=O)C1 1138238823 IOGMTRHHWXAGCR-ZQJOYCHOSA-N 322.390 1.690 10 10 DDCE O=C(c1cccc(O)c1O)N1CCC(C(=O)N2CCCC2)CC1 790490983 SFYWAKFUCPLGOL-UHFFFAOYSA-N 318.373 1.572 10 10 DDCE C[C@H](c1cc(F)ccc1O)N1CCN(S(C)(=O)=O)CC1 134033201 DEJAZYGSEBYSIU-SNVBAGLBSA-N 302.371 1.170 10 10 DDCE C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043128 LUZYWYUFFXRTFO-IJLUTSLNSA-N 312.410 1.755 10 10 DDCE C[C@@H](NC(=O)CCC[C@@]1(C)NC(=O)NC1=O)c1ccccc1O 1302530287 JQZOPFRLSXNPCX-QLJPJBMISA-N 319.361 1.338 10 10 DDCE Nc1ccc(OCC(=O)N(CCO)Cc2ccccc2)cc1 390782062 KRKKVQVDOPXYAV-UHFFFAOYSA-N 300.358 1.669 10 10 DDCE O=C(c1cccc(O)c1O)N(CCO)CCOCC(F)(F)F 1446380827 DULZCIUESXWFPP-UHFFFAOYSA-N 323.267 1.111 10 10 DDCE CC(C)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1ccnn1C 1616310542 BLDQGRDZYZNJEM-CYBMUJFWSA-N 317.389 1.930 10 10 DDCE COC(=O)CCCCCCNC(=O)Cc1ccc(O)c(O)c1 1543845633 CVBVLNQSAIXFNO-UHFFFAOYSA-N 309.362 1.880 10 10 DDCE Cn1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1 1637789650 UYJIGYJKTNXYTI-UHFFFAOYSA-N 303.343 1.976 10 10 DDCE CNc1nccc(C(=O)NCc2c(O)cccc2F)c1[N+](=O)[O-] 1638864122 WDOBBQVDQPVBHR-UHFFFAOYSA-N 320.280 1.806 10 10 DDCE COc1ccnc(OC)c1C(=O)NCCc1ccc(O)c(O)c1 1636022872 RZVJZMONNFKNGA-UHFFFAOYSA-N 318.329 1.483 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](N2CCC2)[C@H](F)C1 1568543927 PZYFQVBPVNOMCV-CHWSQXEVSA-N 308.353 1.285 10 10 DDCE COC(=O)[C@H]1CCC[C@@H](C(=O)NCc2c(O)cccc2O)C1 1647270789 ZHQZDHFIVHIAMI-MNOVXSKESA-N 307.346 1.693 10 10 DDCE COCCNC/C=C\CNC(=O)c1ccc(N=NC(N)=O)cc1 1699347342 CBVMFDXQPUDCEO-XUOMRKSRSA-N 319.365 1.371 10 10 DDCE O=C1/C(=C/c2ccccc2[N+](=O)[O-])SC(=S)N1CCO 16904898 WKVYRNLFCTUWMD-YFHOEESVSA-N 310.356 1.788 10 10 DDCE COc1ccc(N2CCN(Cc3nnc(N)s3)CC2)cc1 157022402 OKKQXQUQBCXGAY-UHFFFAOYSA-N 305.407 1.451 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N[C@H]2CCC[C@@H]2F)cc1 2175567199 TZMJVXOJDCELRI-STQMWFEESA-N 302.371 1.458 10 10 DDCE CS(=O)(=O)N[C@H]1CCCN(c2ccc(CO)c(Cl)c2)C1 702957907 KJVGKNPPBQOEPJ-NSHDSACASA-N 318.826 1.350 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CCS[C@H](CO)C3)c(Cl)cc21 720043368 DPEVBQDQIBOSTF-MADCSZMMSA-N 313.810 1.206 10 10 DDCE C[C@@H](CNCc1cc(Cl)cc(Cl)c1O)S(N)(=O)=O 398267295 NSRRHBIFFNCRJX-LURJTMIESA-N 313.206 1.466 10 10 DDCE CC1(CS(C)(=O)=O)CN(c2c(F)cc(CN)cc2F)C1 2173201888 KIPKERPARZCFFV-UHFFFAOYSA-N 304.362 1.294 10 10 DDCE CN(c1cc(Cl)c(CN)cc1F)[C@H]1CS(=O)(=O)C1(C)C 2177381682 PVGXRDNSVQGTHF-LBPRGKRZSA-N 320.817 1.950 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@H]2CC23CC(F)(F)C3)cc1 2189418061 ULKZKGLCPUQFSE-NSHDSACASA-N 302.346 1.876 10 10 DDCE CN(C)c1ccc([C@@H](N)c2nn(C)nc2Br)cc1 2048768209 AKASFKXNIVIIJF-SNVBAGLBSA-N 310.199 1.692 10 10 DDCE CCN(c1ccc(CO)c(Br)c1)[C@H]1CCNC1=O 2051527216 BFUROZDEDICDJN-LBPRGKRZSA-N 313.195 1.656 10 10 DDCE CN[C@H](C)c1cc(F)c(N2CCS(=O)(=O)CC2)c(F)c1 2194714615 OLOPPEVLJONNBR-SECBINFHSA-N 304.362 1.480 10 10 DDCE NCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(Br)c1 2081460000 LGAATKOUXIUDFA-GDGBQDQQSA-N 310.195 1.075 10 10 DDCE COc1ccc(Br)c(CN2CC[C@H]2C(=O)O)c1O 2220447263 FDSXZOCLODHJOV-VIFPVBQESA-N 316.151 1.822 10 10 DDCE COC(=O)C1(CS(=O)(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])CC1 2290102499 WIAHDEPDRPLDPA-DTWKUNHWSA-N 302.356 1.090 10 10 DDCE Cc1ccc(CN2CC(O)(CO)C2)c(O)c1Br 2307569327 IDVYGPIIGPKLSS-UHFFFAOYSA-N 302.168 1.002 10 10 DDCE Cc1ccc(CN2CC[C@@H]2[C@@H](O)CO)c(O)c1Br 2327800171 HEGZQVOVVUGUGB-MNOVXSKESA-N 316.195 1.391 10 10 DDCE Cc1[nH]cnc1CSCCNC(=N)NCCCc1c[nH]cn1 4216553 MURRAGMMNAYLNA-UHFFFAOYSA-N 321.454 1.421 10 10 DDCE in-man C[C@@H](O)[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 301755942 DINNTMXDJHVXJZ-NXEZZACHSA-N 321.333 1.523 10 10 DDCE CN(Cc1ccc(F)cc1O)[C@H]1CC[C@H](S(C)(=O)=O)C1 2361676097 DYBHBGSAESGUBD-STQMWFEESA-N 301.383 1.929 10 10 DDCE O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1CCO 210387206 KRQCDDSYKACIKR-JXMROGBWSA-N 310.356 1.788 10 10 DDCE COc1cccc(CNS(=O)(=O)N2CCC[C@H]2C)c1O 185013077 OVDACHBGHQACMT-SNVBAGLBSA-N 300.380 1.220 10 10 DDCE O=C(CCc1ccccc1)NCCN1C(=O)CSC1=S 49755726 WSLILDQRGKOREK-UHFFFAOYSA-N 308.428 1.596 10 10 DDCE COc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)NC1=O 96480157 QXGWRLJIINCEOF-JYRVWZFOSA-N 320.370 1.856 10 10 DDCE CCN(CC)c1ccc([C@@H]2NC(=O)[C@@H]3COCCN32)cc1F 93885458 WYXWVSBYRKBVON-LSDHHAIUSA-N 307.369 1.501 10 10 DDCE CO[C@H](C)c1noc(CN(C)Cc2cc3c(cc2O)OCO3)n1 267081646 KOOPCEHMHFATIC-SECBINFHSA-N 321.333 1.843 10 10 DDCE COCCN1CCCN(Cc2ccc(N(C)C)c(C)c2)CC1=O 815100551 QXGKRZSJRIYZFT-UHFFFAOYSA-N 319.449 1.742 10 10 DDCE O=C(CC1COC1)NCc1cc(Br)ccc1O 908169838 AZTGWHWSIAKPLV-UHFFFAOYSA-N 300.152 1.807 10 10 DDCE Cn1nnc(Br)c1CN1CCc2cc(CN)ccc21 2133386587 KFRXWURIXZETJC-UHFFFAOYSA-N 322.210 1.599 10 10 DDCE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCc2ccccc2O)CC1=O 750639912 XVWNIIQJJRAWCG-WXHSDQCUSA-N 303.362 1.201 10 10 DDCE C[C@@H](NC[C@]1(OCCO)CCOC1)c1ccc(Cl)cc1O 850510969 YVCCCVYZBYBNCL-IAQYHMDHSA-N 315.797 1.864 10 10 DDCE CC(=O)N1CCC(NC(=O)N2Cc3cccc(O)c3C2)CC1 864416286 POHYBYKITVDHKR-UHFFFAOYSA-N 303.362 1.428 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)C1CN(CC(F)(F)F)C1 776354320 GOGFTTWNVZQRCD-UHFFFAOYSA-N 318.295 1.251 10 10 DDCE Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1C(N)=O 1144699160 WSDVYTVPARIYCX-UHFFFAOYSA-N 300.314 1.686 10 10 DDCE Cc1nc2ccnn2c(C)c1C(=O)NCc1cc(O)ccc1O 1303225927 SRYWRSWDPBBJTD-UHFFFAOYSA-N 312.329 1.687 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc[nH]c2nccc1-2 1154025217 GXBUYEVMRYOWEL-VIFPVBQESA-N 312.329 1.682 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)CC1CS(=O)(=O)C1 1330289675 LWZZWGKTGBPJIZ-UHFFFAOYSA-N 310.419 1.146 10 10 DDCE Cc1cc(CC(=O)N2CC(C(N)=O)C2)c(C)n1-c1ccccc1 1347406589 KYQJUESYLFHWIY-UHFFFAOYSA-N 311.385 1.580 10 10 DDCE CN(C)c1ccc(CNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)cc1 1524861241 HOQDVAHXOLDVKH-CABCVRRESA-N 319.405 1.182 10 10 DDCE Cc1nc(O)nc(S)c1C(=O)NCc1c(O)cccc1O 1472063350 IPJXHMOOJSINON-UHFFFAOYSA-N 307.331 1.121 10 10 DDCE C[C@H](NC(=O)N[C@@H](CO)[C@H]1CCOC1)c1ccc(N(C)C)cc1 1681551806 IWFMIQIHEZAJDS-NOLJZWGESA-N 321.421 1.510 10 10 DDCE CCN(CCNC[C@H](C)O)C(=O)c1ccc(N=NC(N)=O)cc1 1699220417 ISZUUJGMFIQWCK-NSHDSACASA-N 321.381 1.282 10 10 DDCE CCC(CC)C(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 169839044 WCRZUSNQCFZCIK-UHFFFAOYSA-N 310.350 1.086 10 10 DDCE CS(=O)(=O)N[C@H]1CCCN(Cc2ccc(Cl)cc2O)C1 1658648858 KJMQOXNGICGGJV-LBPRGKRZSA-N 318.826 1.559 10 10 DDCE C[C@@H](CS(=O)(=O)N(C)C)N[C@H](C)c1ccc(F)cc1O 1967464480 CSCUNNGLFCWPMU-VHSXEESVSA-N 304.387 1.462 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCCO 2143467307 LTHSSGURNFNONZ-UHFFFAOYSA-N 300.424 1.287 10 10 DDCE O=C(O)C(F)(F)C1(O)CN(Cc2ccc(Cl)cc2O)C1 1974211712 TYKZSSLYGHMDPR-UHFFFAOYSA-N 307.680 1.312 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CN(CCCN=[N+]=[N-])CC[C@@H]1CO 1975181073 YVWNNBHIOVSPLC-NEPJUHHUSA-N 313.402 1.894 10 10 DDCE CO[C@H]1CN(Cc2ccc(N)cc2)C[C@@H]1NC(=O)OC(C)(C)C 1984386971 AMUAHDRVNZSLLC-GJZGRUSLSA-N 321.421 1.993 10 10 DDCE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)NCc1ccccc1O 1985019978 LDPWNJMSEDGLQP-MFKMUULPSA-N 324.377 1.283 10 10 DDCE C[C@H]1CC[C@H](C2OCCO2)N(CC(=O)Nc2ccc(N)cc2)C1 2152075755 SSPATAWALZQGGM-SWLSCSKDSA-N 319.405 1.681 10 10 DDCE CC1(F)CN(c2cc3c(cc2Br)[C@H](O)C(=O)N3)C1 2032478490 LXXYZNBBESCJPL-JTQLQIEISA-N 315.142 1.983 10 10 DDCE CSC[C@@H](C)CNS(=O)(=O)CCOc1ccc(N)cc1 70490918 BJEQPXYYYMWJAC-NSHDSACASA-N 318.464 1.566 10 10 DDCE CCN1CCCC[C@@H]1CNC(=O)c1cnn2c(O)cc(C)nc12 2064306006 FKKPCVFTJFFVKK-GFCCVEGCSA-N 317.393 1.348 10 10 DDCE CO[C@@H]1COC[C@@H]1N(C)c1ccc(CO)c(Br)c1 2057136614 BNDUSVGUJSIYTA-QWHCGFSZSA-N 316.195 1.791 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cc(Br)ncn1 2105840230 IXRUPVXLLCRNRH-UHFFFAOYSA-N 324.134 1.832 10 10 DDCE Cn1nc(Br)c(CNC(=O)Cc2ccc(N)cc2)n1 2226961337 ISWJFGMNUBLVEQ-UHFFFAOYSA-N 324.182 1.019 10 10 DDCE CN1C(=CC=C2C(=O)NC(=O)NC2=O)C(C)(C)c2ccccc21 2293140389 GITNUAYFCLMUPR-UHFFFAOYSA-N 311.341 1.590 10 10 DDCE CCN1C(=O)C(=Cc2nc3ccccc3[nH]2)C(=O)NC1=S 2296091364 LRLQKYGCWRKJRS-UHFFFAOYSA-N 300.343 1.210 10 10 DDCE CSc1ncc(CNC(=O)Nc2ncc(C(=O)O)o2)s1 2284506189 CIAKMYXGMKDCNE-UHFFFAOYSA-N 314.348 1.873 10 10 DDCE COc1cc(OC)c(N2CC[C@@](CO)(OC)C2)cc1Cl 2285912009 TUCFONGSYRRQPY-CQSZACIVSA-N 301.770 1.945 10 10 DDCE NCc1ccc(N2C[C@H](C(N)=O)C3(CC3)C2)c(Br)c1 2344279797 USUYYWVEXRYOOU-SNVBAGLBSA-N 324.222 1.610 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)COC(C)(C)C2)s1 2347799216 FDOCGXLAXGITET-GFCCVEGCSA-N 302.421 1.977 10 10 DDCE CN[C@H]1C(=O)Nc2cc(N3CCCC[C@@H]3CO)c(Cl)cc21 118705564 KSLFFAABVHHVNP-YMTOWFKASA-N 309.797 1.904 10 10 DDCE Cc1nc(S(=O)(=O)NCc2ccccc2O)c(Cl)n1C 2364210657 FQMZTNJMVVMQLW-UHFFFAOYSA-N 315.782 1.566 10 10 DDCE Cc1cc(NS(=O)(=O)c2sc(=N)[nH]c2C)cc(C)c1O 2366466711 UMCWUJOXOHFHRW-UHFFFAOYSA-N 313.404 1.987 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N(C)C1CCN(C)CC1 96785245 MDMYCRZGSNQCHW-GFCCVEGCSA-N 306.406 1.829 10 10 DDCE CN1C(=O)C(=C/C=C\c2ccc(N(C)C)cc2)C(=O)N(C)C1=O 149420147 OMOYVFQIYGSNKR-WAYWQWQTSA-N 313.357 1.743 10 10 DDCE COC(=O)[C@@]1(NC(=O)c2ccc(C)c(O)c2O)CCSC1 272945813 HUCBUEGYFJFNIS-CQSZACIVSA-N 311.359 1.185 10 10 DDCE CS(=O)(=O)c1cccnc1CNCc1ccc2c(c1)CCO2 278745011 MSJSFLFGOJKXBI-UHFFFAOYSA-N 318.398 1.710 10 10 DDCE O=C(c1cccc(O)c1O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 277721221 YDXVFHGPRNBGTQ-PELKAZGASA-N 319.279 1.873 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)CCC(=O)NC1 282228502 HHWVSWJBMQMIMA-MGPLVRAMSA-N 306.362 1.061 10 10 DDCE CCNC(=O)C[C@H]1CCCCN1C(=O)c1cccc(O)c1O 285748186 PVQWMTIBPZHJFC-LLVKDONJSA-N 306.362 1.619 10 10 DDCE CCOC(CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)OCC 803090302 ZXEXIJBBZKSSBI-NSHDSACASA-N 311.378 1.934 10 10 DDCE Cn1c(=O)n(C)c2cc(NC(=O)c3cc(O)cs3)c(O)cc21 812385393 WJGUJKRUOAKGKU-UHFFFAOYSA-N 319.342 1.602 10 10 DDCE CNC(=O)[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1 817414879 KIFIOIRVGWFHDM-MRVPVSSYSA-N 313.741 1.522 10 10 DDCE CO[C@H](C(=O)NCc1ccc(N(C)C)cc1C)[C@@H]1CCOC1 827955452 IPSOZBFPNADJGG-ZBFHGGJFSA-N 306.406 1.729 10 10 DDCE CCN(CC)c1ccc(CNC(=O)N2CN(C)C(=O)[C@@H]2C)cc1 825721831 SDDTVPSLPMQIDC-ZDUSSCGKSA-N 318.421 1.862 10 10 DDCE COC[C@@](C)(O)CCNCc1ccc(N2CCOCC2)cc1 824559079 DZZXMRWCEBJNHP-KRWDZBQOSA-N 308.422 1.400 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)C[C@]2(O)CCCN(C)C2)c1 901127524 JYWPYESGSQZNHW-YVEFUNNKSA-N 322.405 1.425 10 10 DDCE CC[C@@H]1[C@@H](CO)CCN1CC(=O)NCc1ccc(N(C)C)cc1 839610569 OGCUYROHWGGXMK-NVXWUHKLSA-N 319.449 1.462 10 10 DDCE C[C@@H](NC(=O)c1nnn(C(C)(C)C)n1)c1ccc(N(C)C)cc1 832436216 JGUSSVDGNUCTBI-LLVKDONJSA-N 316.409 1.985 10 10 DDCE CN(C)c1ccc(/C=C/CN2CC[C@H](S(C)(=O)=O)C2)cc1 835050208 QBGFEKGJYULYSZ-APHBUQMISA-N 308.447 1.885 10 10 DDCE Oc1cc2c(cc1CN1CC[C@H](Nc3ncccn3)C1)OCO2 842614770 FHUKOSOLPNRKOI-LBPRGKRZSA-N 314.345 1.597 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3csnn3)C2)cc1 855230982 HFCFTWWLKAAVFY-JTQLQIEISA-N 304.375 1.555 10 10 DDCE CC(C)NC(=O)[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 853603259 OPAOVENQENZEGI-LBPRGKRZSA-N 320.389 1.858 10 10 DDCE C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1[C@H]2CN[C@H]1C2 925481612 RBLUUDQNUYOGFY-PZMTTYODSA-N 319.424 1.748 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3[C@H]4COC[C@H]43)C2)cc1 855224768 HAEMNJWVGCIGDW-DANNLKNASA-N 302.374 1.283 10 10 DDCE COCCN1CC[C@H](N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 850347883 ZQUXRCFPNMEADH-JKSUJKDBSA-N 319.449 1.584 10 10 DDCE COc1ccc(O)c(CNC(=O)[C@]2(CC(C)C)CCNC2=O)c1 866767328 PQPCKTLANVAGFW-KRWDZBQOSA-N 320.389 1.569 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCN(C2CCC2)C1=O 863836403 XNNMQJALCBZARC-SCXUMTSISA-N 316.357 1.381 10 10 DDCE CN(CCC(=O)NCCc1ccc(O)c(O)c1)c1ccncc1 779538583 WWUDGFMMLSGMIP-UHFFFAOYSA-N 315.373 1.678 10 10 DDCE CN(Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCC(=O)NC1=O 799106454 HOWSJVJGEMDUGM-MRXNPFEDSA-N 315.417 1.914 10 10 DDCE CC(=O)C(=O)[C@H](O)[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 1894251249 KIELLZHNWHLAMW-WCBMZHEXSA-N 307.293 1.150 10 10 DDCE CCS(=O)(=O)[C@@H]1CSCCN1c1ccc(CN)cc1F 90926352 VMRLHHXOXUHCPW-CYBMUJFWSA-N 318.439 1.598 10 10 DDCE CC1(C)C[C@@](C)(NC(=O)N2Cc3cccc(O)c3C2)C(=O)O1 1348578022 VJINZVRWOSDSOE-MRXNPFEDSA-N 304.346 1.902 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1COc2ccccc2O1 1440919748 UDXDOACKUBKKMN-LBPRGKRZSA-N 315.325 1.597 10 10 DDCE C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1C(=O)/C=C\c1ccc(O)c(O)c1 1452463126 LKUIIFLTHBUNJL-SKPXWSRZSA-N 318.373 1.612 10 10 DDCE Cn1c(=O)oc2c(C(=O)N3Cc4cccc(O)c4C3)cccc21 1455037309 OWYSPLXQBSQFEH-UHFFFAOYSA-N 310.309 1.993 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)c1cc(F)ccc1F 1472367411 ZGACXDJPXRLRKF-ZDUSSCGKSA-N 323.295 1.768 10 10 DDCE C[C@@H](c1ccccc1)[C@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1631412610 OTFKIOXKVCUABT-WFASDCNBSA-N 315.369 1.921 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](Cn2ccnn2)C1 1631137500 FJVHPSWCQDJWSB-CYBMUJFWSA-N 316.361 1.171 10 10 DDCE C[C@@H](C(=O)NCc1cc(O)ccc1O)N(C)CC(F)(F)F 1644753820 KQIUWPUNMWSABX-QMMMGPOBSA-N 306.284 1.597 10 10 DDCE CCN1CC[C@@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 1640771223 HLDBAMGMDVHITL-MRXNPFEDSA-N 305.422 1.684 10 10 DDCE COc1ccc(Br)c(CNC[C@@H](O)CF)c1O 1965988422 OJQCRHFMGYBOID-ZETCQYMHSA-N 308.147 1.583 10 10 DDCE Cc1ccc2ncc(C(=O)NCCc3ccc(N)cc3)c(=O)n2c1 152482744 ZFMQFBYNFUZTCD-UHFFFAOYSA-N 322.368 1.558 10 10 DDCE CCOC(=O)c1c(NC(=O)Cc2ccc(N)cc2)n[nH]c1C 1218512068 GRWZLUGQMKDTCO-UHFFFAOYSA-N 302.334 1.658 10 10 DDCE CCN(CC)c1ccc(CNCC(=O)N=c2cc(C)o[nH]2)cc1 1857855546 PQTRALHNECMOEL-UHFFFAOYSA-N 316.405 1.979 10 10 DDCE C[C@@H]1CNC(=O)CN1c1cc(Br)c(CN)cc1F 2060850902 IBNGXVFOLJLCFI-SSDOTTSWSA-N 316.174 1.372 10 10 DDCE CN(CCN(C)S(C)(=O)=O)Cc1ccc(Cl)cc1O 2090799968 POASLWOHKWUCAB-UHFFFAOYSA-N 306.815 1.369 10 10 DDCE N=C(NO)c1cnc(Sc2nnnn2C2CCCC2)s1 2296265040 IMOFNCMWDGSESG-UHFFFAOYSA-N 311.396 1.700 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)N[C@@H]1CCC[C@@H]1O 2302275760 KGQOMYOJFZLOAX-SJORKVTESA-N 316.401 1.566 10 10 DDCE Cc1ccc(CNCc2nncn2C)c(O)c1Br 2327799576 XMVWPNNPQDUELA-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE C[C@H](O)c1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)cc1Cl 2336462644 GIECTQXPMTZWAB-MWODSPESSA-N 301.795 1.627 10 10 DDCE CCN(CC)[C@H](C)CNC(=O)NCc1cc(OC)ccc1O 114587182 ALGMDOPIWSPSPV-GFCCVEGCSA-N 309.410 1.930 10 10 DDCE C[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1O 301959100 OOEXZRDGHNHGAV-PRHODGIISA-N 307.306 1.133 10 10 DDCE Cc1cc(O)c(O)cc1CCNS(=O)(=O)c1ccccc1 170264634 QGXGJDKXVKHDJC-UHFFFAOYSA-N 307.371 1.927 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cccc(-n3cncn3)n2)cc1 1350776865 RIFICOVBAVXFLF-UHFFFAOYSA-N 322.372 1.658 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](c2cc(O)c(O)cc2O)C1 310001651 QQXANXMTNIWKTN-VHSXEESVSA-N 310.350 1.465 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)NCCNC(N)=O 135123280 ISQIBICYYTZHEQ-UHFFFAOYSA-N 306.391 1.554 10 10 DDCE Cc1ccc(O)c(CN2CCN(Cc3nccn3C)CC2)c1 93131952 ROTZKUBXLMRCHV-UHFFFAOYSA-N 300.406 1.752 10 10 DDCE NC(=O)CCCOC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255373728 MRTBXJGAGYLYHB-YVMONPNESA-N 318.373 1.345 10 10 DDCE Cc1cc(C(=O)NC[C@@](C)(O)C(=O)O)c(C)n1-c1ccccc1 262450506 VVACKGWPFLJZKD-QGZVFWFLSA-N 316.357 1.660 10 10 DDCE O=C1CN(Cc2ccccc2O)C(=O)N1CC[C@H]1CCCOC1 530193213 BPOBTGUTGBYZHG-CYBMUJFWSA-N 318.373 1.973 10 10 DDCE COC(=O)[C@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 277267575 RUZRPUMHLJKIBQ-VIFPVBQESA-N 310.306 1.611 10 10 DDCE Oc1ccc(Br)cc1CN1CCOC[C@@H](O)C1 294803903 NDYYGKKWHOXTGM-NSHDSACASA-N 302.168 1.348 10 10 DDCE COCC[C@@H](COC)NC(=O)NCc1ccc(OC)cc1O 811956848 XKCIBKRSQJZNEZ-LBPRGKRZSA-N 312.366 1.252 10 10 DDCE COC[C@@]1(C(=O)NCc2ccc(N(C)C)cc2C)CCOC1 825872767 AGFPSRVXNSRQRS-KRWDZBQOSA-N 306.406 1.730 10 10 DDCE COC[C@@H](C(N)=O)N(C)Cc1ccc(N2CCCCC2)c(C)c1 830022363 DBLKANOJFPBEDZ-KRWDZBQOSA-N 319.449 1.917 10 10 DDCE CC[C@@H](CNS(C)(=O)=O)NCc1c(O)cc(C)cc1Cl 840951443 WZXUIVOQNZMSFL-JTQLQIEISA-N 320.842 1.771 10 10 DDCE CN1CCN(c2ccc(CN[C@H]3CC34CCNCC4)cc2)CC1 841078188 FUOGEVUROQPYRD-SFHVURJKSA-N 314.477 1.670 10 10 DDCE COC[C@](C)(O)CCNC(=O)NCc1cc(Cl)ccc1O 845226818 DDDNNEAXCFETCI-CQSZACIVSA-N 316.785 1.632 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1ccc2c(n1)OCCO2 847569516 DLXWDBJIQWIBFM-UHFFFAOYSA-N 300.314 1.831 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CCC[C@@H]2NCC[C@H]21 923415699 IXWXYXWNLLJHAH-ZWKOTPCHSA-N 301.434 1.850 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N(C)C3CC(O)C3)C2)cc1 854299800 ROOPWZLWQJIWRQ-GRTSSRMGSA-N 319.405 1.439 10 10 DDCE Cc1cc(C(=O)N[C@H]2CCNC2=O)c(C)n1-c1ccc(F)cc1 855147050 ZROTZSMKWQREIF-HNNXBMFYSA-N 315.348 1.852 10 10 DDCE COc1ccc(N2CCN(C(=O)NCC3COC3)CC2)cc1F 858915022 JQEBXKOJTAFTLI-UHFFFAOYSA-N 323.368 1.312 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CC3OCCO3)C2)cc1 855225022 HQRCJVUAYKETIU-LBPRGKRZSA-N 306.362 1.153 10 10 DDCE Cc1ccc(C(=O)N2CCO[C@@H](CCCN(C)C)C2)c(O)c1O 856429109 GZVOZYWUIWPPHD-ZDUSSCGKSA-N 322.405 1.589 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@](O)(C2CC2)C1 855696192 QDLLWJOLZHUXLB-RJIDQJRZSA-N 303.358 1.875 10 10 DDCE COc1ccc(O)c(CNC(=O)NCCO[C@H]2CC2(F)F)c1 853736720 LJWFDSQZBSSQPA-LBPRGKRZSA-N 316.304 1.624 10 10 DDCE O=C(C(=O)N1C[C@H]2CC[C@@H](C2)C1)N1Cc2cccc(O)c2C1 1119022742 IMYBPCOIOXJIAA-RYUDHWBXSA-N 300.358 1.493 10 10 DDCE CCNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 778220088 AHRILTQIJUOYKV-HJWRWDBZSA-N 317.389 1.036 10 10 DDCE CC[C@H](C(=O)OCC(=O)C(C)=O)N(C)C(=O)OC(C)(C)C 1118462700 FTMBJEYTINLTQX-SNVBAGLBSA-N 301.339 1.333 10 10 DDCE NS(=O)(=O)C[C@@H]1CCCN(Cc2cc(F)cc(F)c2O)C1 894017963 UUOZBAJVLNCROU-SECBINFHSA-N 320.361 1.171 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCCN1CCCCCC1=O 1135711736 QSUYXTUBPGDVSB-UHFFFAOYSA-N 320.389 1.549 10 10 DDCE Cc1cc(=NC(=O)NCCc2ccc(O)c(O)c2)cc(C)[nH]1 1319424844 HGDWOZWOGBPSQN-UHFFFAOYSA-N 301.346 1.896 10 10 DDCE CSC1CC(N(C)S(=O)(=O)Cc2ccc(N)cc2)C1 707121806 MVTYGLGCCMYWQH-UHFFFAOYSA-N 300.449 1.924 10 10 DDCE OCc1ccc(N2CCC(CO)(CO)C2)c(Br)c1 694614518 RHRTXONULZFUGM-UHFFFAOYSA-N 316.195 1.123 10 10 DDCE C[C@H]1C[C@H](C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1331929630 QEJOXXDIARDFMF-RYUDHWBXSA-N 302.374 1.739 10 10 DDCE CCN(CC)C(=O)CCCC(=O)NCc1cccc(O)c1O 1347543177 XVKWTPLGLRJVFQ-UHFFFAOYSA-N 308.378 1.753 10 10 DDCE COc1cc(OC)nc(C(=O)NCc2cccc(OC)c2O)n1 1445971121 SIUPYSPJPILCNO-UHFFFAOYSA-N 319.317 1.138 10 10 DDCE Cn1cccc1[C@H]1COCCN1C(=O)c1cccc(O)c1O 1296209616 JCHQJTRKUTTYKS-CYBMUJFWSA-N 302.330 1.650 10 10 DDCE C[C@H](NC(=O)C1=C2CCCN=C2NN1)c1ccc(N(C)C)cc1 1467259171 FHNYXZKARDLEOF-NSHDSACASA-N 313.405 1.484 10 10 DDCE C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(O)cc1O 1469160303 QOHAFLMOSOUCOY-SECBINFHSA-N 304.302 1.126 10 10 DDCE CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1700969629 QKNUOOSDFWROMX-CYBMUJFWSA-N 321.381 1.234 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCC(=O)NC1 1540567371 JYMYMUILOPHROR-OAHLLOKOSA-N 315.417 1.771 10 10 DDCE C[C@H](NC(=O)c1ccoc1)C(=O)NCc1c(O)cccc1F 1638862910 IKPASPRIVUBIGM-VIFPVBQESA-N 306.293 1.559 10 10 DDCE O=C(CNC(=O)c1ccccc1)NCc1ccc(O)cc1O 1638352221 MOCBBPWEJWBUMZ-UHFFFAOYSA-N 300.314 1.144 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCC(=O)NC1 1633819514 QRIIEEBMPNALSE-JQWIXIFHSA-N 306.362 1.061 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1nc[nH]c1C(F)(F)F 1639444508 NTLNALIVSDJLBO-UHFFFAOYSA-N 301.224 1.770 10 10 DDCE CC(C)c1nnc(CCC(=O)NCc2c(O)cccc2O)o1 1635847210 KCXZNDPJQQSNRO-UHFFFAOYSA-N 305.334 1.853 10 10 DDCE CC(=O)Nc1nc(C(=O)NCc2cccc(O)c2O)cs1 1651173100 QGPNRFQUVVRQQH-UHFFFAOYSA-N 307.331 1.443 10 10 DDCE CC[C@@H](F)C(=O)NC[C@@H](O)CNCc1ccc(OC)c(C)c1 1667870493 ILDYBXLTRPATCQ-UONOGXRCSA-N 312.385 1.318 10 10 DDCE Nc1ccc(CC(=O)N2CCN[C@@H](c3ccccc3)C2=O)cc1 1866324162 IASBPGQMYSGNAL-KRWDZBQOSA-N 309.369 1.511 10 10 DDCE CNCc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1Cl 234449474 WUWIPAZXVXSJLQ-UHFFFAOYSA-N 317.842 1.141 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)COc1ccc(N)cc1 1977672997 SZHJMBCLPWLBCB-CHWSQXEVSA-N 321.377 1.429 10 10 DDCE C[C@H]1C[S@@](=O)CCN1c1ccc(CN)cc1Br 2004536722 BGGNBWKBZCVIQC-XYZCENFISA-N 317.252 1.865 10 10 DDCE CC=CC(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 2041454694 AGZVFXRZKQPDPZ-UHFFFAOYSA-N 318.373 1.463 10 10 DDCE OCc1ccc(N2C[C@H](O)[C@@H]3COC[C@@H]32)c(Br)c1 2040592297 GSESCTSDOIAHCB-ICCXJUOJSA-N 314.179 1.137 10 10 DDCE NC(=O)N[C@@H]1CCN(c2ccc(CO)cc2Br)C1 690738108 NAPZMFGUDXWIPF-SECBINFHSA-N 314.183 1.188 10 10 DDCE O=S1(=O)C[C@@H]2C(CNCc3ccc(F)c(F)c3O)[C@H]2C1 2174618654 LKCUOSRLQHYEJL-NXEZZACHSA-N 303.330 1.051 10 10 DDCE CCn1nnc(CNCc2cc(Br)ccc2O)n1 2077210321 LLOLNFWNOSTUPS-UHFFFAOYSA-N 312.171 1.451 10 10 DDCE NCc1ccc(N2C[C@H]3C(C(N)=O)[C@@H]3C2)cc1Br 2081450096 WFDHSTDGGSQCLS-NXEZZACHSA-N 310.195 1.075 10 10 DDCE Cc1cc(O)cc(C)c1NS(=O)(=O)CCC(F)(F)CO 2239646204 NNBIERCBOQAYBE-UHFFFAOYSA-N 309.334 1.768 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@H]2CCCN2)s1 2256937522 JYDPILUJKMQRIH-MRVPVSSYSA-N 307.466 1.036 10 10 DDCE CN(C(=O)/C=C/c1cnccn1)c1cccc(S(C)(=O)=O)c1 492317446 JNYWWDIPOMTFLM-VOTSOKGWSA-N 317.370 1.556 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)Nc1cccc(-n2cnnn2)c1 2307987528 OMNLXJJVQYLQSV-UHFFFAOYSA-N 323.312 1.725 10 10 DDCE CCn1[nH]c(Br)nc1=NCc1cc(N)ccc1O 2328340016 OQKVAZBAXXIEDP-UHFFFAOYSA-N 312.171 1.382 10 10 DDCE CCN[C@H](c1ccc2c(c1)CCN2C)[C@@H]1CCS(=O)(=O)C1 50286276 MJWRWIYZQXMOLE-GDBMZVCRSA-N 308.447 1.764 10 10 DDCE O=C1Cc2cc(N3CCN(C(=O)c4cccnc4)CC3)ccc2N1 62575942 VOGCIOWUKCOMNB-UHFFFAOYSA-N 322.368 1.539 10 10 DDCE Cc1nnsc1CN(C)S(=O)(=O)Cc1ccc(N)cc1 2361118059 VXGRRXIQDXGZEB-UHFFFAOYSA-N 312.420 1.391 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1O)C(=O)O 33861535 UCDCYWDGMRPJPC-QMMMGPOBSA-N 313.306 1.324 10 10 DDCE CO[C@@H](CCS(C)(=O)=O)CNCc1cccc(Cl)c1O 2364219150 IDJBFJIBJMHDLQ-NSHDSACASA-N 321.826 1.585 10 10 DDCE NC[C@@H](N)c1cc(Br)cc(Br)c1O 95641602 FXZSTGLZUPIQMP-SSDOTTSWSA-N 309.989 1.876 10 10 DDCE CC[C@H]1NC(=O)N(Cc2ccc(N3CCOCC3)c(F)c2)C1=O 272338938 WADLRRCRUUEGGP-CYBMUJFWSA-N 321.352 1.493 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)N[C@H]2CNCCC2(F)F)c1 817980312 KSKFJDAYPDPUFT-ZANVPECISA-N 314.332 1.827 10 10 DDCE CO[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 826532288 YOSIYJZNMXIIGJ-HZPDHXFCSA-N 304.390 1.299 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)CCNC(=O)CO 908045875 SREGSTNZIJLHGZ-UHFFFAOYSA-N 308.378 1.020 10 10 DDCE CN1C[C@@H]2[C@H](CCN2CC(=O)NCc2ccc(N(C)C)cc2)C1 839605538 LSSXOBREDVFATD-NVXWUHKLSA-N 316.449 1.005 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@@H]1CO[C@H](CCC(=O)O)C1 901797804 FMALNDFSNOPUSW-QWHCGFSZSA-N 307.346 1.621 10 10 DDCE C[C@H](NCCCc1ncn(C)n1)c1cc([N+](=O)[O-])ccc1O 842901163 IVPFKMNFADOIAY-JTQLQIEISA-N 305.338 1.712 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@@H](C)C3)C2)cc1 852447327 ABIVWVVWVSXIDK-UONOGXRCSA-N 319.405 1.704 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](N)C3CC3)C2)cc1 851663401 YNXIXQWBTWBBSF-XJKSGUPXSA-N 318.421 1.310 10 10 DDCE CCOc1ccc(O)c(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)c1 850368033 HQOCBJJTHIJIGT-WCQYABFASA-N 313.419 1.846 10 10 DDCE COc1ccc(N2CCN(C(=O)c3cccnn3)CC2)cc1F 859966239 RROOSIBHPLNLFM-UHFFFAOYSA-N 316.336 1.587 10 10 DDCE CCOC(=O)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855233101 WSDWCQVMEOTPNQ-GFCCVEGCSA-N 306.362 1.343 10 10 DDCE COc1ccc(N(C)CCN(C)C[C@@H](O)C2(O)CCC2)cc1 930853643 WDHOORVMIULIFV-MRXNPFEDSA-N 308.422 1.339 10 10 DDCE COc1cccc([C@@H](C)N[C@H]2CCN(CC(C)(C)O)C2)c1O 866414062 ZGTLHHCAFMDLLE-OLZOCXBDSA-N 308.422 1.897 10 10 DDCE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1cc(O)cs1 862993245 ABAQMZAVCHJEMN-KOLCDFICSA-N 313.375 1.542 10 10 DDCE CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 867504692 YMAKLGCCWHQFAO-BLLLJJGKSA-N 303.406 1.941 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cc(=O)c2ccccc2[nH]1 767787004 WGBHXPXALUUVBA-UHFFFAOYSA-N 324.336 1.912 10 10 DDCE CN(Cc1cc2c(cc1O)OC[C@@H]2O)[C@@H]1CCN(C2CC2)C1 768448610 SUEKDQPUJVTDKN-CJNGLKHVSA-N 304.390 1.487 10 10 DDCE CN(C)c1ccc(CNC[C@H](O)C[C@](C)(O)C2CC2)cc1F 872200248 YDTDJQSYHUQHMC-PBHICJAKSA-N 310.413 1.893 10 10 DDCE CS(=O)(=O)Cc1ccc(C(=O)N2Cc3cccc(O)c3C2)o1 871201714 ZBKWJVQTDWVHEQ-UHFFFAOYSA-N 321.354 1.686 10 10 DDCE CCN1CC[C@H](N(C)C(=O)Cc2ccc(O)c(O)c2)[C@@H](C)C1 1136900566 XRRKDWUTIFAIGL-JSGCOSHPSA-N 306.406 1.829 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCSC[C@@H]2CO)cc1 1137625313 IFTPINJWOYAVOH-NSHDSACASA-N 308.363 1.399 10 10 DDCE CC[C@@]1(C)CN(CN2CCNCC2)c2ccc(OC)cc2N1 76931144 RSJOTUSMDAHYNL-KRWDZBQOSA-N 304.438 1.959 10 10 DDCE C[C@@H](N)c1ccc(N(C)C[C@@H]2CCCS2(=O)=O)c(F)c1 694121136 FZHIZBOQBQKWQE-PWSUYJOCSA-N 300.399 1.859 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CCCOC1 1261797918 VTEAKYHIOWMSEU-CYBMUJFWSA-N 320.389 1.284 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2cnc3nccn3c2)c1 1445965579 HCPLDPHCQDBAPL-JTQLQIEISA-N 312.329 1.935 10 10 DDCE COc1cc(CNCc2ccco2)ccc1N1CCNCC1 211630498 WZBIWQVDYQWMGB-UHFFFAOYSA-N 301.390 1.988 10 10 DDCE Cn1ccc(-c2cc(C(=O)NCc3ccc(O)cc3O)n[nH]2)c1 1626837987 MLFXGLJZJQVIJZ-UHFFFAOYSA-N 312.329 1.756 10 10 DDCE C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1cc(O)ccc1O 1558175044 YXTUKUKTQXVCJH-BXUZGUMPSA-N 309.362 1.688 10 10 DDCE CCOC(=O)N[C@H](C(=O)NCc1cc(O)ccc1O)C(C)C 1558174067 CUVOEECGKJDAIF-ZDUSSCGKSA-N 310.350 1.485 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)[C@H]2CCCO2)cc1C 1716428279 CRUCGSMRXZLBDE-XJKSGUPXSA-N 306.406 1.777 10 10 DDCE COCC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC 1637199598 CGHXLAWAPWQUQG-NSHDSACASA-N 322.321 1.157 10 10 DDCE NC(=O)[C@H]1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 1637842288 ZEEXZAHBKPQBAK-IONNQARKSA-N 320.370 1.696 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCN(CC(F)(F)F)C1 1631508469 BNOCVTPAWQWFRR-JTQLQIEISA-N 318.295 1.393 10 10 DDCE Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCc1cc(O)ccc1O 1637126171 MMMZTKDNHMAQMH-JTQLQIEISA-N 317.389 1.943 10 10 DDCE Nc1c(C(=O)NCc2c(O)cccc2O)cccc1[N+](=O)[O-] 1639292852 SYXHBOPAVNAVDX-UHFFFAOYSA-N 303.274 1.518 10 10 DDCE CC(C)(C)n1cc(C(=O)C(=O)NCc2c(O)cccc2O)cn1 1652623253 QTICTUOIHPHTEM-UHFFFAOYSA-N 317.345 1.548 10 10 DDCE Cc1cc(N(C)C)ccc1Cn1c(C)nnc1N1CCOCC1 1742139814 WCXMZRKUYXKODE-UHFFFAOYSA-N 315.421 1.846 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N3CC[C@@H]([C@H](C)O)C3)c(Cl)cc21 167821847 MRYFPHXJYKFVNP-QIBSRJKCSA-N 309.797 1.760 10 10 DDCE C[C@H](O)c1ccc(N2CC(C)(C(N)=O)C2)cc1Br 1914220950 NDKYPKSDVNXMJS-QMMMGPOBSA-N 313.195 1.814 10 10 DDCE CSC1(CNS(=O)(=O)CCOc2ccc(N)cc2)CC1 235033223 KPGFVJAZYGKHEQ-UHFFFAOYSA-N 316.448 1.463 10 10 DDCE C[C@H](N)c1ccc(N(C)CCN(C)S(C)(=O)=O)c(F)c1 2146925628 KNRGHACNRVXGPN-JTQLQIEISA-N 303.403 1.173 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc([C@H](N)[C@@H](O)C(=O)O)c1O 1952683753 ZONWCRNFALFJNM-GXSJLCMTSA-N 312.322 1.185 10 10 DDCE Oc1cc(Br)ccc1CN[C@@H]1C[C@@H](O)C[C@@H]1O 2000830539 QYWFIQQKEADMPL-FOGDFJRCSA-N 302.168 1.129 10 10 DDCE CO[C@H]1COC[C@@H]1NCc1cccc(Br)c1O 2008133060 CCFAHRAQOWSPNK-QWRGUYRKSA-N 302.168 1.658 10 10 DDCE CN[C@@H](C)c1ccc(N2CC[C@@H]2C(N)=O)c(Br)c1 2028926848 KKBZNVNWBLZFQC-QPUJVOFHSA-N 312.211 1.794 10 10 DDCE CO[C@H]1CN(C)C[C@@H]1NCc1c(O)cccc1Br 2034335883 PFHHYFJAAPDNIB-AAEUAGOBSA-N 315.211 1.573 10 10 DDCE CCCN[C@H](c1ccccc1O)[C@@](C)(O)CS(C)(=O)=O 2170425323 PYEJDFLGDWUIIZ-KGLIPLIRSA-N 301.408 1.229 10 10 DDCE CCCS(=O)(=O)CCN(C)c1ccc([C@@H](C)O)c(O)c1 2170465901 CESQDZRSWPCVKX-LLVKDONJSA-N 301.408 1.707 10 10 DDCE CS(=O)(=O)CCCCOC(=O)COc1ccc(N)cc1 707571397 KKZPOQADDWDQRX-UHFFFAOYSA-N 301.364 1.016 10 10 DDCE CN(C(=O)C1=C[C@@H](O)[C@@H](N)C1)c1ccc(Br)cc1 2067769273 OBAPPVYIRQFODI-NWDGAFQWSA-N 311.179 1.430 10 10 DDCE CN(C)c1ccc([C@H](NN)c2ncncc2Br)cc1 2106832326 ZBQQHMMJABENSA-LBPRGKRZSA-N 322.210 1.858 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2CCC[C@H](O)[C@H]2O)c1O 2232557079 SHAWIPOSLCEXMF-SUNKGSAMSA-N 301.770 1.418 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](CC(=O)O)C2CC2)s1 2284543436 FNVDJLLESCCDCD-SECBINFHSA-N 315.420 1.918 10 10 DDCE COC(=O)C1(CS(=O)(=O)N[C@H]2CCC[C@H]2N=[N+]=[N-])CC1 2290102498 WIAHDEPDRPLDPA-BDAKNGLRSA-N 302.356 1.090 10 10 DDCE CSc1ncc(CNC(=O)C[C@@H]2CC(F)(F)CN2)s1 2269084269 CIBBHKNYVZSDRM-SSDOTTSWSA-N 307.391 1.869 10 10 DDCE CC(C)CN1C(=O)C(=CNc2ccccn2)C(=O)NC1=S 2295113193 IGENBBYCUWMAAF-UHFFFAOYSA-N 304.375 1.277 10 10 DDCE CO[C@@H](C[S@@](=O)CC(=O)c1ccc(O)c(O)c1)C(C)C 2284013318 QSQMYUYUSMKULV-XOBRGWDASA-N 300.376 1.700 10 10 DDCE COc1ccc(N2CCN(Cc3nnsc3N)CC2)cc1 50793107 USDNIPFTEAAUBW-UHFFFAOYSA-N 305.407 1.451 10 10 DDCE CCOC(=O)[C@H]1CSCCN1C(=O)Cc1ccc(N)cc1 37803823 SUGPXFSPNWZHQJ-CYBMUJFWSA-N 308.403 1.318 10 10 DDCE CCS(=O)(=O)N1CC(CNCc2cc(C)c(C)cc2O)C1 190287904 LGOMRKYJLOQBRM-UHFFFAOYSA-N 312.435 1.380 10 10 DDCE C[C@@H](N)c1nc(C(=O)Nc2ccc(O)cc2C(=O)O)cs1 90952525 QSRLAUWAJDGYSY-ZCFIWIBFSA-N 307.331 1.819 10 10 DDCE C[C@@](N)(CC(=O)O)c1cc(I)ccc1O 238423180 YGGOOENEWWJFJZ-SNVBAGLBSA-N 321.114 1.645 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCN(C)C1=O 825873696 MNYVNBURLWOLQN-HNNXBMFYSA-N 303.406 1.546 10 10 DDCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCNC1=O 824306027 OMRZWBHDKVSKRN-HNNXBMFYSA-N 318.421 1.561 10 10 DDCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCCO1 823531077 SIJQDYTYXODQKT-UHFFFAOYSA-N 305.378 1.495 10 10 DDCE O=C(/C=C\c1cncc(O)c1)NCCc1ccc(O)c(O)c1 588410058 HCPGKJQTJHTHAT-RQOWECAXSA-N 300.314 1.571 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCCC(=O)N1CCCCC1 588406151 ZPRNZHNWMNDBNJ-ALCCZGGFSA-N 318.373 1.630 10 10 DDCE CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCN1 830802884 CYSPJWMETWGAQQ-LLVKDONJSA-N 313.195 1.865 10 10 DDCE COc1cccc(CN2CCc3sc(CN)nc3C2)c1O 903941238 SQXXEVDXRDHFLY-UHFFFAOYSA-N 305.403 1.874 10 10 DDCE CCOc1ccc(N(CC)C[C@H](O)CN2CCOCC2)cc1 747682596 OTXBAWSRDXFHHH-MRXNPFEDSA-N 308.422 1.605 10 10 DDCE CO[C@H](CS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1)C1CC1 842584687 ICJKOCVHURRFIE-GFCCVEGCSA-N 315.347 1.257 10 10 DDCE CC1CCN(c2ccc(CNC(=O)NCC3CNC3)cc2)CC1 841792194 BIELTBXHWVXFNG-UHFFFAOYSA-N 316.449 1.942 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)C[C@@H](C)NC(N)=O 848046199 QNTLYDOBGTZBGC-GFCCVEGCSA-N 307.394 1.968 10 10 DDCE C[C@@H](NC(=O)c1nc[nH]n1)c1ccc(N2CCOCC2)cc1 746151161 FKRKWSIHPHSOJW-LLVKDONJSA-N 301.350 1.132 10 10 DDCE C[C@@H](N[C@H]1CNOC1)c1ccc(N2CCOCC2)cc1Cl 925871143 ODOCXUJAMUWAIW-NEPJUHHUSA-N 311.813 1.731 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 926950297 UBRXXWPUFMBDIY-KBNOKHGBSA-N 321.373 1.633 10 10 DDCE O=C(Cn1ccnc1)NCc1cccc(Br)c1O 765732056 OVZJQMXZPIWXNX-UHFFFAOYSA-N 310.151 1.668 10 10 DDCE CCNC(=O)N1CC[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 868406721 YFYVAOAVPQXYJU-RYUDHWBXSA-N 320.393 1.556 10 10 DDCE COC(=O)[C@@]1(O)CCN(Cc2c(O)ccc(Cl)c2F)C1 895703308 KSFISWKMDMVWAK-CYBMUJFWSA-N 303.717 1.295 10 10 DDCE NC(=O)C1CCN(c2ccc(CNC3CSC3)cc2)CC1 895813220 HFOBYZSGFQDAOW-UHFFFAOYSA-N 305.447 1.593 10 10 DDCE Cc1nn(C)c(Br)c1C(=O)NCCCN=[N+]=[N-] 1963704442 PGWPHDHWVUFYNC-UHFFFAOYSA-N 301.148 1.921 10 10 DDCE NCc1ccc(N2CCCC[C@H]2C(N)=O)c(Br)c1 212995574 RICPGMUWRKPPFS-LBPRGKRZSA-N 312.211 1.752 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3occc3N)C2)cc1 1327579344 SGKYKGWEQVLBSG-LLVKDONJSA-N 301.346 1.879 10 10 DDCE CN(Cc1cc(F)ccc1O)[C@@H]1CCCS(=O)(=O)CC1 694196996 YUSVMPANVWEWEC-CYBMUJFWSA-N 301.383 1.930 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cccc2ncnc(O)c12 1445904797 YPTPNKSSJXJUPW-UHFFFAOYSA-N 311.297 1.677 10 10 DDCE CN1Cc2ccccc2[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1447332625 CRAFDLAAZNNEFV-OAHLLOKOSA-N 312.369 1.943 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCN(c2ccncc2)CC1 1539081220 NDSUAFMAUQBIFW-UHFFFAOYSA-N 313.357 1.384 10 10 DDCE CO[C@H]1COC[C@@H]1NC(=O)NCc1cccc(Cl)c1O 1615572730 JQJPXNJEBGBTSD-QWRGUYRKSA-N 300.742 1.259 10 10 DDCE C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1C(=O)Cc1ccc(O)c(O)c1 1631462474 JGPFEMTZGYGYNP-MXWKQRLJSA-N 306.362 1.106 10 10 DDCE CCc1nn(C)c(CC)c1CNC(=O)Cc1ccc(O)c(O)c1 1566474994 ODEJKNZXFQLKTN-UHFFFAOYSA-N 317.389 1.815 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3ncnn23)c1 1636061276 LQTXBAIUKNOEHB-SNVBAGLBSA-N 312.329 1.935 10 10 DDCE CC(=O)N(CC(=O)NCc1cccc(O)c1O)c1ccccc1 1637045910 NCOCTVGWYDXLJT-UHFFFAOYSA-N 314.341 1.767 10 10 DDCE CN(CC(=O)NCc1ccco1)C(=O)Cc1ccc(O)c(O)c1 1565599541 BPXPWZCGZZHFPV-UHFFFAOYSA-N 318.329 1.008 10 10 DDCE CN(Cc1cccc(C(N)=O)c1)C(=O)Cc1ccc(O)c(O)c1 1583117670 DWKAUOBTSAMXCU-UHFFFAOYSA-N 314.341 1.398 10 10 DDCE Cn1cc(C(=O)N2CC[C@H](CN=[N+]=[N-])C2)nc1Br 1912191861 XKCPSSRKHWDHCQ-SSDOTTSWSA-N 313.159 1.955 10 10 DDCE [N-]=[N+]=NCC1CCN(C(=O)[C@H]2CCCS(=O)(=O)C2)CC1 1912181019 JEKSSBZWIOXRSI-NSHDSACASA-N 300.384 1.360 10 10 DDCE Nc1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 19998510 MLEYRXBWOAUUMU-UHFFFAOYSA-N 305.359 1.097 10 10 DDCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cncc(Br)c1 166214356 AIZJMAKKRGOITA-SECBINFHSA-N 314.143 1.958 10 10 DDCE Cc1cccc(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1O 1994449587 HIKGSGLZNHKNEI-LBPRGKRZSA-N 324.377 1.202 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC(CC(F)(F)F)C2)cc1 2152304713 TUTZGKFXRDFKSJ-UHFFFAOYSA-N 308.325 1.983 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCC2(CC1)OCCO2 381412912 QPUAKPFWJGJFBY-GFCCVEGCSA-N 305.378 1.435 10 10 DDCE CCOC(=O)[C@@H](NCCCN=[N+]=[N-])c1ncc(Cl)n1C 383515202 GIGHWGSBPRPSTG-VIFPVBQESA-N 300.750 1.968 10 10 DDCE CC[C@]1(CO)COCCN1c1cc(Cl)c(CN)cc1F 2177393172 NXDPRTOVRNAGCK-AWEZNQCLSA-N 302.777 1.916 10 10 DDCE C[C@H]1[C@@H](C)N(c2ccc(CO)c(Cl)c2)CCS1(=O)=O 2113954210 FGXURWXVUKRDRD-ZJUUUORDSA-N 303.811 1.844 10 10 DDCE CCN(c1ccc(CO)c(OC)c1)[C@@H](C)CS(C)(=O)=O 2204543940 URQWTINCZNZNNQ-NSHDSACASA-N 301.408 1.447 10 10 DDCE CNCC1CC(S(=O)(=O)NCc2cnc(SC)s2)C1 2269283016 ZYUUTEZGRQVFBV-UHFFFAOYSA-N 321.493 1.282 10 10 DDCE CCc1nc2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2n1 2326101362 FHVWENSUTSEBCL-UHFFFAOYSA-N 300.387 1.327 10 10 DDCE Cc1ccc(CN2CCC[C@@H]2C(N)=O)c(O)c1Br 2327603334 PIUWMFIJDAXCDT-SNVBAGLBSA-N 313.195 1.913 10 10 DDCE Cc1ccc(CN(C)C(=O)C2CNC2)c(O)c1Br 2327792577 LOCHRNUZZUINNO-UHFFFAOYSA-N 313.195 1.641 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCN(CC(F)(F)F)CC2)c1 170906714 KGXJPXBBKIEGRJ-UHFFFAOYSA-N 319.283 1.980 10 10 DDCE C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[C@@H]1O 302408034 HGLMNCWRYKXHCP-UFBFGSQYSA-N 307.306 1.133 10 10 DDCE Cc1cc(Cl)cc(CN2CCS(=O)(=O)[C@H](C)C2)c1O 123402100 JGCRVTOBZOQRMX-SNVBAGLBSA-N 303.811 1.973 10 10 DDCE COc1ccc(N2CCN(C(=O)c3cnc(C)o3)CC2)cc1 74734019 PRABDOKOOLZXCE-UHFFFAOYSA-N 301.346 1.954 10 10 DDCE C[C@]1(O)CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 322674596 OGZBLCZRFCMAOV-HNNXBMFYSA-N 321.333 1.667 10 10 DDCE COc1ccc(N2CCN(C(=O)Nc3nncs3)CC2)cc1 43130455 OIXQRVZBSDAGRL-UHFFFAOYSA-N 319.390 1.901 10 10 DDCE CC(C)c1nnc2n1C[C@H](NC(=O)c1cccc(O)c1O)CC2 192999437 FDZKQTAYQREZHV-SNVBAGLBSA-N 316.361 1.558 10 10 DDCE CCOCCN1CCN(Cc2cccc(OC)c2O)C[C@H]1C 245814144 ZVZLOTGVAUTVBL-CQSZACIVSA-N 308.422 1.943 10 10 DDCE CC[C@@H](O)CCNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255547940 XRDIKSYMNYJJEO-CTEOGUNLSA-N 318.417 1.814 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCN(C(C)=O)C[C@H]2C)c1O 268742756 ZZAPMXXPCXQFCF-SNVBAGLBSA-N 308.353 1.787 10 10 DDCE COC(=O)[C@@H]1C[C@@H](O)CN(Cc2cc(Cl)cc(C)c2O)C1 843435608 WJTUTWZHMMISTL-DGCLKSJQSA-N 313.781 1.710 10 10 DDCE O=C(O)C1=CC[C@H](NCc2ccc(N3CCOCC3)cc2)C1 853034869 IFBJULUJHJIYOL-HNNXBMFYSA-N 302.374 1.786 10 10 DDCE COc1cc(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c(O)cc1C 853585454 YLEYSLDJOWZGQG-AWEZNQCLSA-N 321.421 1.897 10 10 DDCE COC1(OC)CCN(Cc2ccc(N(C)C)c(C)c2)C[C@@H]1O 931636392 WDOAXMYPSCYPDV-INIZCTEOSA-N 308.422 1.617 10 10 DDCE C[C@H](NC[C@@]12COCCN1C(=O)OC2)c1cc(F)ccc1O 866520820 IGPYFTBTOREXEN-BONVTDFDSA-N 310.325 1.403 10 10 DDCE C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)c1ccccc1O 1151885864 KXRLQANBVNQSGE-LLVKDONJSA-N 324.340 1.375 10 10 DDCE CS(=O)(=O)c1ccc([S@@](=O)Cc2ccc(N)cc2)cc1 63131646 KKMNMVOXNMLVTM-LJQANCHMSA-N 309.412 1.980 10 10 DDCE C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H](C)[C@@H]1C 1332073651 IJLYACHJOUJSFJ-UTUOFQBUSA-N 302.374 1.737 10 10 DDCE C[C@@H]1COCCN1CCNC(=O)NCc1c(O)cccc1F 1332285870 VVBSFYCUKHECCK-LLVKDONJSA-N 311.357 1.051 10 10 DDCE COC(=O)Cc1ccccc1NC(=O)Cc1ccc(O)c(O)c1 1445429058 KEYPTEPREUPJQU-UHFFFAOYSA-N 315.325 1.995 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@H]1COc2ccc(O)cc2O1 1626847586 CYRQWJIPWKKMOT-OAHLLOKOSA-N 317.297 1.260 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccnc(-n2ccnc2)c1 1639289874 ZOWAZRVEFHJETN-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CNCc1ccc(N2CCn3nncc3C2)c(Br)c1 2130046604 FUXYMMUVJNNHEH-UHFFFAOYSA-N 322.210 1.780 10 10 DDCE C[C@H](N)c1ccc(N2CCNC(=O)C23CC3)c(Br)c1 2132026696 XJOKGJVJVXBTGT-VIFPVBQESA-N 324.222 1.938 10 10 DDCE CCN(CC)c1ccc(CNCCC(=O)N(C)CC(=O)O)cc1 1857863598 WDHVWJTVPJNQII-UHFFFAOYSA-N 321.421 1.556 10 10 DDCE C[S@](=O)C1CN(c2ccc(CN)c(Br)c2F)C1 2004527190 ZOTJCSBFWAOWQB-KRWDZBQOSA-N 321.215 1.614 10 10 DDCE C[C@H](NCc1cc(F)ccc1O)C1CCS(=O)(=O)CC1 2146113415 ZHZLQHMAMWIBLC-JTQLQIEISA-N 301.383 1.834 10 10 DDCE CNCc1ccc(N2C[C@H]3C[C@]3(CO)C2)c(Br)c1 2029636747 WYERFBNADOVIGP-BXUZGUMPSA-N 311.223 1.987 10 10 DDCE Oc1cccc(Br)c1CN[C@@H]1CCOC[C@@H]1O 706808763 ZIZNVDKMYIUBLT-PWSUYJOCSA-N 302.168 1.394 10 10 DDCE COC(=O)[C@H](NCCN=[N+]=[N-])c1cnn(C)c1Br 712458860 KERWEEFTVXVHMG-SSDOTTSWSA-N 317.147 1.297 10 10 DDCE CN(CCS(=O)(=O)C(C)(C)C)c1ccc(CN)cc1F 2170439384 NQUZHOZZEBDFDG-UHFFFAOYSA-N 302.415 1.934 10 10 DDCE CC(C)OCC[S@](=O)C[C@H](O)COc1ccc(N)cc1 2184700722 NSRBNOSMYKTBLV-XCLFUZPHSA-N 301.408 1.182 10 10 DDCE C[C@@H](O)[C@H]1CN(c2ccc(CO)cc2Br)CCO1 2053842572 IPPNEMZPELBVTG-NOZJJQNGSA-N 316.195 1.527 10 10 DDCE C[C@H](NCc1ccc(Br)cc1O)c1nc(=O)o[nH]1 2057692790 QEYKBEUTSWYLRG-LURJTMIESA-N 314.139 1.682 10 10 DDCE CNCc1ccc(N(C)Cc2cnnn2C)cc1Br 2100246857 FKQIRHRLNJTNLL-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE NCc1ccc(N2CC[C@H](O)C[C@H]2CO)c(Br)c1 2080498044 QVRBDIYGRAZSJU-QWRGUYRKSA-N 315.211 1.230 10 10 DDCE O=S1(=O)C[C@H]2CN(Cc3c(O)cccc3Cl)C[C@@H]2C1 2087858333 LASQLRUMGBDQCI-NXEZZACHSA-N 301.795 1.522 10 10 DDCE CC(C)(C)OC(=O)N1CCC[C@@H]1CCCOc1nnc(=N)[nH]n1 2210659187 WWOKVUSGLAPXJN-SNVBAGLBSA-N 324.385 1.238 10 10 DDCE CSc1ncc(CN[C@@H](C)[C@@H]2CCS(=O)(=O)C2)s1 2257105103 WMMQFLIDVIZJQG-DTWKUNHWSA-N 306.478 1.778 10 10 DDCE CCN1C(=CC=C2C(=O)NC(=O)NC2=O)Sc2ccccc21 2297612588 LDQSETORXCHALP-UHFFFAOYSA-N 315.354 1.752 10 10 DDCE Cc1ccc(CNCCc2cnn[nH]2)c(O)c1Br 2327622523 YQOQCYZDZBYPFY-UHFFFAOYSA-N 311.183 1.914 10 10 DDCE Cc1ccc(CN[C@@H]2COCC[C@H]2O)c(O)c1Br 2327630150 HZGMTYBJVIDZKV-GHMZBOCLSA-N 316.195 1.703 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc2ccc(N)cc2s1 2339766413 MKBQBLRTMODEPJ-UHFFFAOYSA-N 300.409 1.877 10 10 DDCE CC[C@@H]1CN(Cc2cccc(OC)c2O)CCN1CCOC 120953819 RPCOYDNXYPAPSW-OAHLLOKOSA-N 308.422 1.943 10 10 DDCE CO[C@H](CCS(C)(=O)=O)CNCc1ccc(C)cc1O 2364092194 LEDUWCCUHDRASX-CYBMUJFWSA-N 301.408 1.240 10 10 DDCE CCS(=O)(=O)CCCN1CCN(c2ccc(N)cc2)CC1 86975606 XGRYRUBXCFYXTO-UHFFFAOYSA-N 311.451 1.216 10 10 DDCE COc1ccc(N2CCC(NC(=O)CC[C@@H](C)N)CC2)cc1 193309313 ZCXYBCVVNKGVQB-CYBMUJFWSA-N 305.422 1.908 10 10 DDCE COc1ccc(N2CCC(NC(=O)N(C)[C@@H](C)CO)CC2)cc1 132161567 AUQCJCDRQYUISW-ZDUSSCGKSA-N 321.421 1.686 10 10 DDCE COc1cc(Cl)c(N2CC[C@H](N)[C@H](CO)C2)c(OC)c1 2368115552 BMQHNRSDJNWOQU-CABZTGNLSA-N 300.786 1.503 10 10 DDCE COc1cc(Cl)c(N(CCCO)CCCO)c(OC)c1 2368120936 NXLNAOBZLJSBNB-UHFFFAOYSA-N 303.786 1.928 10 10 DDCE CCONC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 274838730 AOOLZNIVLUUSID-UHFFFAOYSA-N 322.409 1.068 10 10 DDCE CN(C)c1ccc(CN2CCC[C@]3(C2)NC(=O)NC3=O)cc1F 279508851 WXWPNSXAGXLQCF-MRXNPFEDSA-N 320.368 1.066 10 10 DDCE C[C@@H]1C[C@H](N[C@@H]2CCC(=O)N(C)C2=O)c2c(O)ccc(F)c21 818362066 PBKYLCHHYNIYCG-IEBDPFPHSA-N 306.337 1.817 10 10 DDCE CCOCc1cc(CN[C@@H]2CCO[C@@H]2C(=O)OC)ccc1OC 826967532 WEEPRFUFBKCKFO-ZBFHGGJFSA-N 323.389 1.652 10 10 DDCE COC(=O)c1cnc(Sc2nc(C)nc(N(C)C)n2)s1 828429111 RNFLHFCCSHYSSG-UHFFFAOYSA-N 311.392 1.640 10 10 DDCE COc1cc(Br)cc(CN[C@@H]2CNC[C@H]2C)c1O 903960778 ZHYTVUZIWZAHIT-LDYMZIIASA-N 315.211 1.861 10 10 DDCE CN1CCCc2cc(CN3C(=O)N4CC5CC4(C5)C3=O)ccc21 849353503 DKJFOJBHKNYAFL-UHFFFAOYSA-N 311.385 1.996 10 10 DDCE COc1cccc([C@@H](C)NC[C@@H]2CCCCN2CCO)c1O 846170475 OEZJWUNFJANIMH-KGLIPLIRSA-N 308.422 1.898 10 10 DDCE COc1ccc(N2CC[C@@H](N3C(=O)N[C@@H](C(C)C)C3=O)C2)cc1 849356392 DXKGITKRDOHHKU-HIFRSBDPSA-N 317.389 1.850 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1O 846102368 DRNOURQLKZXPLE-FRGLDACASA-N 312.347 1.014 10 10 DDCE CN(C)CCN1CCN(Cc2cccc(Cl)c2O)CC1=O 846012279 YYMFDKOJSNLKQB-UHFFFAOYSA-N 311.813 1.251 10 10 DDCE C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2O)CS1(=O)=O 853571173 WXJXCKWWJMCZHH-ZYHUDNBSSA-N 312.391 1.157 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3CCC[C@H]3N)C2)cc1 852844024 NJORONTVJAAMIS-JJRVBVJISA-N 317.433 1.908 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CCn3cncn3)C2)cc1 855233407 YCZHBSXPYYXZSQ-ZDUSSCGKSA-N 315.377 1.072 10 10 DDCE CCOc1cccc(CN(C)C[C@H]2CCS(=O)(=O)C2)c1O 769468525 KATSEGBJMUNNMT-GFCCVEGCSA-N 313.419 1.657 10 10 DDCE COc1cccc([C@H](C)NC2CN(c3ccncn3)C2)c1O 866495508 DEBWAAGCBHQGHE-NSHDSACASA-N 300.362 1.730 10 10 DDCE CCc1nc(C(=O)NCc2ccc3c(c2)CCCN3C)no1 775382537 VJPXPBAKEGAPFP-UHFFFAOYSA-N 300.362 1.944 10 10 DDCE CN1CCN(c2ccc(CN3[C@H]4CC[C@H]3CC(O)C4)cc2)CC1 775648968 ZDVOGXZWVNTOLE-ROUUACIJSA-N 315.461 1.926 10 10 DDCE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)C=[N+]=N 888084866 HCSDLRWDCQKYHM-CYBMUJFWSA-O 320.369 1.976 10 10 DDCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](C(F)(F)F)O1 1136982180 ICFADBXDHSNFKH-PRHODGIISA-N 319.279 1.819 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1COC2(CCCCC2)O1 1152511973 PCTFAPUHQOKAQE-CYBMUJFWSA-N 321.373 1.832 10 10 DDCE COc1ccc(Br)c(CN[C@H]2CC[C@H]2O)c1O 1964068546 TZAMKQIUGFCSQQ-VHSXEESVSA-N 302.168 1.776 10 10 DDCE COc1cc(Cl)cc(CN2C[C@H](O)C[C@@H]2C(=O)O)c1O 1963427561 JQNHSYVLHATORP-NXEZZACHSA-N 301.726 1.074 10 10 DDCE C[C@H](NC(=O)N[C@H](C)[C@H]1CN(C)CCN1C)c1ccccc1O 1521343192 YWWOVQNHPONOJJ-GZBFAFLISA-N 320.437 1.387 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc(Cn2ccnn2)cc1 1455354315 MCXVCMKRWZTXBR-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE COc1ccc(CNC(=O)[C@H]2CCCn3ncnc32)c(O)c1 1467471294 XGCOCSVYNBWPSQ-LBPRGKRZSA-N 302.334 1.186 10 10 DDCE CNC(=O)OC[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 1625663104 CCJLRNBQDAPTFU-GFCCVEGCSA-N 322.361 1.377 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)C=C2CCC2)cc1C 1716083692 IMPZSSODBUKBJP-INIZCTEOSA-N 318.417 1.681 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]([C@H]1CCOC1)C(F)(F)F 1639956987 XEPJYUBCYQYUFZ-TVQRCGJNSA-N 319.279 1.724 10 10 DDCE COc1ccc(CNCCN(C)C(=O)C[C@@H]2CCOC2)cc1C 1691280892 HMNPXWAUWGYACI-INIZCTEOSA-N 320.433 1.978 10 10 DDCE CCOC(=O)c1ccc(=Nc2ccc([N+](=O)[O-])cc2O)[nH]n1 1859857790 JRYOFUJIAOCDFR-UHFFFAOYSA-N 304.262 1.433 10 10 DDCE Cc1ccc(O)c(CNCCC(=O)N2CCCC[C@H]2CCO)c1 1857864565 VCOZXWHRICLGFI-INIZCTEOSA-N 320.433 1.944 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)N1CCC(O)CC1 1914141179 GNZMUXOSJCWLIW-UHFFFAOYSA-N 306.771 1.159 10 10 DDCE CC(C)(C)OC(=O)N1CCNC[C@H](c2cc(O)nc(O)c2)C1 1952862351 MZZLALGBLZWXPD-NSHDSACASA-N 309.366 1.417 10 10 DDCE CC(C)(C)OC(=O)N1CCN(c2ccc(N)cc2)[C@@H](C(=O)O)C1 1977961981 PZKUTCSBSCTYQX-CYBMUJFWSA-N 321.377 1.779 10 10 DDCE Nc1ccc(N2CCN(S(=O)(=O)C3(Cl)CC3)CC2)cc1 2145066596 IUOUCQZKBLZLCP-UHFFFAOYSA-N 315.826 1.450 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NCc2ccc(O)c(O)c2)C1 1985830021 WTRNRTFSVHEEBK-RISCZKNCSA-N 324.377 1.168 10 10 DDCE CN(Cc1csnn1)c1cc2c(cc1Cl)[C@@H](O)C(=O)N2 2150303930 UJZQLABTNLUWLL-LLVKDONJSA-N 310.766 1.813 10 10 DDCE Cn1c(C2=C[C@@H](O)[C@H](N)C2)nc2cc(Br)ccc21 2067764449 AORCHSHJKLWSAN-BXKDBHETSA-N 308.179 1.811 10 10 DDCE Nc1ccc(NC(=O)N2CC(S(=O)(=O)C(F)F)C2)cc1 2206690970 TZTSHJAHTVORDD-UHFFFAOYSA-N 305.306 1.122 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H](C)C[C@H]2C(=O)O)s1 2284544340 OIFYLEUVEACRQF-APPZFPTMSA-N 315.420 1.870 10 10 DDCE CSc1ncc(CNCCOCC2CCNCC2)s1 2269301862 IOMCEPMFFBHWFL-UHFFFAOYSA-N 301.481 1.971 10 10 DDCE CC(C)(O)CN1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1 2307987301 RFCUZFFZCPHJHJ-UHFFFAOYSA-N 320.389 1.026 10 10 DDCE CO[C@@H]1[C@H](O)C[C@H]1NCc1ccc(C)c(Br)c1O 2327623894 MFEGKXKMVZOKJP-BREBYQMCSA-N 316.195 1.701 10 10 DDCE COC(=O)c1nc(NN(C)S(=O)(=O)C(C)C)sc1C 2339737131 JUEZAFLULWWHMT-UHFFFAOYSA-N 307.397 1.235 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCC[C@H](C3OCCO3)C2)c1 170914822 RQPSQRXKNWDULY-NSHDSACASA-N 308.334 1.885 10 10 DDCE O=C1[C@H](CN2CCOCC2)SC(=S)N1c1ccccc1 59397418 GSRJFUBKNGTCCW-LBPRGKRZSA-N 308.428 1.752 10 10 DDCE NCc1cc(F)c(N2CCC[C@@H]2C(N)=O)cc1Br 310630755 JHERALXAROKPPZ-SNVBAGLBSA-N 316.174 1.501 10 10 DDCE CN(C)c1ccc(CNC(=O)NCC2(CCO)CC2)cc1F 186644916 GDQBVIHLNSYQFH-UHFFFAOYSA-N 309.385 1.854 10 10 DDCE C[C@H](CO)CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 123529106 SUUNKFVIYBNTCN-UONOGXRCSA-N 321.421 1.512 10 10 DDCE CCC(O)(CC)CNS(=O)(=O)CCOc1ccc(N)cc1 87010291 DWVLGHAPRUJQHA-UHFFFAOYSA-N 316.423 1.118 10 10 DDCE N[C@@H](Cc1ccc(O)c(O)c1)c1nc(-c2cncs2)no1 147378831 ZFYNDHBAMQRYCO-QMMMGPOBSA-N 304.331 1.847 10 10 DDCE COc1cc(O)c(CN2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)cc1OC 249464621 GTSGLFRVCCCKBK-SFWSJEHTSA-N 305.374 1.611 10 10 DDCE C[C@@]1(C(=O)NCc2c(O)ccc3c2CCCC3)CCC(=O)NC1 281425382 AHFFSYNPELPZCR-GOSISDBHSA-N 316.401 1.804 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(-c2nc(C3CC3)no2)cc1 808524791 HISAWSMRWUHDTR-UHFFFAOYSA-N 314.297 1.929 10 10 DDCE CN1CCC[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1=O 294206557 AGWYPNREIFABAI-HNNXBMFYSA-N 303.406 1.579 10 10 DDCE CC1(CO)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 837625718 DRHMRPWIKKSHLQ-UHFFFAOYSA-N 303.406 1.811 10 10 DDCE Cc1ccc(C(=O)N2CC[C@H](N3CCC3)[C@H](F)C2)c(O)c1O 834595711 YOYGEGHGGQXXMD-OLZOCXBDSA-N 308.353 1.665 10 10 DDCE COCc1cc(O)ccc1NS(=O)(=O)N1CC[C@H](C)C1 840917237 IBHMBZNIBKRZDN-JTQLQIEISA-N 300.380 1.537 10 10 DDCE Nc1ccc(CCNC(=O)NC[C@@H](O)Cc2ccccc2)cc1 841958260 XHUXXFWLDCZWOK-KRWDZBQOSA-N 313.401 1.714 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(C)CCCNC3)C2)cc1 852900721 QFRBPPUCTAGPLX-KDOFPFPSSA-N 317.433 1.780 10 10 DDCE CN(C)CCC[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCO1 850750632 MTHBQFPVABJRNE-HNNXBMFYSA-N 306.410 1.843 10 10 DDCE CCc1n[nH]cc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855232497 REXYHSYGRZEYGT-GFCCVEGCSA-N 314.389 1.989 10 10 DDCE C[C@@H](NC[C@H](O)CS(C)(=O)=O)c1ccc2ccccc2c1O 927024435 KIKXSCJDBZRANJ-YPMHNXCESA-N 323.414 1.602 10 10 DDCE COC(=O)[C@H](C[C@H]1CCCOC1)NCc1cc(OC)ccc1O 862516648 WKTHKSKQEUMBQX-DOMZBBRYSA-N 323.389 1.849 10 10 DDCE COc1ccc(O)c([C@@H](C)NC[C@@]23COCCN2C(=O)OC3)c1 866521864 QMSVRQLDUUNTCB-BZNIZROVSA-N 322.361 1.273 10 10 DDCE Cn1ccnc1CN1CCN(Cc2cc(F)cc(F)c2O)CC1 894004739 YJGAHEWGPARGAE-UHFFFAOYSA-N 322.359 1.722 10 10 DDCE O=C1NC[C@H](CNCc2c(O)cccc2Br)O1 1963623029 LYZBRVCPHDCBPQ-ZETCQYMHSA-N 301.140 1.353 10 10 DDCE CN1CCC(CCO)(NC(=O)/C=C\c2ccc(O)c(O)c2)CC1 1153331950 AAKCOTTZRXFOAT-HYXAFXHYSA-N 320.389 1.074 10 10 DDCE NC(=O)c1cccc(N)c1NC1[C@H]2CN(Cc3ccccc3)C[C@H]12 398322833 ASMMCKPSHWIILJ-GJZGRUSLSA-N 322.412 1.910 10 10 DDCE CN1CCN(c2ccc(CN[C@H]3CCCOC3)cc2F)CC1 1324115069 HVGOIEBZDOAZKW-HNNXBMFYSA-N 307.413 1.846 10 10 DDCE Oc1cc(Br)ccc1CN1CCO[C@H]2CNC[C@H]21 686532498 ISORJXQUBZYZBT-YPMHNXCESA-N 313.195 1.327 10 10 DDCE Oc1cccc(Br)c1CN[C@H]1COCC[C@H]1O 710910485 LJEJIWNZRKQNBM-CMPLNLGQSA-N 302.168 1.394 10 10 DDCE O=C(C(=O)N1CC2(CCCC2)C1)N1Cc2cccc(O)c2C1 1332035901 FTJDBPXDFJWEBF-UHFFFAOYSA-N 300.358 1.637 10 10 DDCE O=C(C[C@@H](O)c1cccc(F)c1)NCc1ccc(O)cc1O 1451772485 WPXYSROFYVQVNL-OAHLLOKOSA-N 305.305 1.977 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cnn(-c2ccccc2)n1 1451763977 FBCJRNKDXWHBGV-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CC(C)(C)OC(=O)NC[C@](C)(CN)c1ccc(O)c(O)c1O 1535970415 PQCPJSJDTCEWQN-HNNXBMFYSA-N 312.366 1.545 10 10 DDCE CC(=O)NC[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1704754664 MMNIFKRSBLWHTH-VIFPVBQESA-N 305.338 1.351 10 10 DDCE CS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1634984270 FYNAWFQFPDSRLO-LLVKDONJSA-N 324.362 1.108 10 10 DDCE C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[S@@](=O)C1 1650943895 OLAQNZCMCDTCLD-ZPWHCFADSA-N 301.339 1.078 10 10 DDCE CN(C)S(=O)(=O)CCCN1CCCC[C@H](CN=[N+]=[N-])C1 1912150060 OPRWYRVRWGBHCG-GFCCVEGCSA-N 303.432 1.680 10 10 DDCE CCCCNC[C@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1667940044 WIGPJJREPLAMAW-ZDUSSCGKSA-N 321.381 1.329 10 10 DDCE C[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(N2CCOCC2)cc1 152336955 ZJDPMJQSAXXQGF-GDBMZVCRSA-N 317.433 1.795 10 10 DDCE Cc1ccc(CNC(=O)c2c(F)ccc(O)c2O)c(=O)n1C 1161266769 LSMOYARAWJBERO-UHFFFAOYSA-N 306.293 1.174 10 10 DDCE O=C(NCc1ncc(Cl)s1)c1cc(O)c(O)c(O)c1 2132350481 NVHYQFUBVXEXFZ-UHFFFAOYSA-N 300.723 1.843 10 10 DDCE CCS(=O)(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 1253272801 ZOZTXFPALDQJQP-SSDOTTSWSA-N 302.421 1.733 10 10 DDCE O=C1C[C@H](C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)CN1 1889601157 MBACQIFVCBJFPR-DZKIICNBSA-N 313.401 1.428 10 10 DDCE CC(C)(C)OC(=O)N1CCNC[C@H](c2cc(O)c(O)c(O)c2)C1 1952450899 MLWKPVRLMWPFRR-NSHDSACASA-N 324.377 1.727 10 10 DDCE 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301.184 1.817 10 10 DDCE O=S(=O)(N1CCc2cc(O)c(O)cc2C1)C1(Cl)CC1 2341216677 OMJLHTPJVLWVJS-UHFFFAOYSA-N 303.767 1.515 10 10 DDCE COc1ccc(S(=O)(=O)NCCc2ccc(N)cc2)cc1F 171531554 QESYLDHROBVPDI-UHFFFAOYSA-N 324.377 1.938 10 10 DDCE CCN(CC)[C@@H](C)CNC(=O)NCc1cccc(OC)c1O 73654728 VTDIKXSRTWGBTC-LBPRGKRZSA-N 309.410 1.930 10 10 DDCE O=C(CCN1C(=O)CSC1=S)NCc1ccc(F)cc1 1865764973 JTDKEQZOHZGUOQ-UHFFFAOYSA-N 312.391 1.692 10 10 DDCE C[C@](NCCN=[N+]=[N-])(C(N)=O)c1ccc(Br)o1 228800170 ATLAGAYUPYXFOJ-SECBINFHSA-N 302.132 1.643 10 10 DDCE Nc1ccc(CCNS(=O)(=O)c2ccc3c(c2)OCO3)cc1 193338432 PVVZBGSZMLOWJL-UHFFFAOYSA-N 320.370 1.519 10 10 DDCE CCN(C(=S)Nc1ccc(N)cc1)[C@@H]1CCS(=O)(=O)C1 242953834 HGNIKDBYDJVMPC-GFCCVEGCSA-N 313.448 1.475 10 10 DDCE COc1cc2c(c(OC)c1OC)[C@H](N1CCNCC1)CN2C 527417228 KWAPTCJZROGHKD-GFCCVEGCSA-N 307.394 1.109 10 10 DDCE CCCC[C@H](NC(=O)NCC)C(=O)NCc1ccccc1O 269596829 OAHPLHLMBOAEMH-ZDUSSCGKSA-N 307.394 1.886 10 10 DDCE O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCCNC1=O 297293039 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776319294 BNTQWYRZNHOLIX-UHFFFAOYSA-N 315.339 1.863 10 10 DDCE CC(C)(C)OC(=O)N[C@H](C1COC1)[C@@H](N)c1ccccc1O 1958883394 NVCMCHFDQAELRA-UONOGXRCSA-N 308.378 1.932 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCC(=O)c1c(F)cccc1F 1142718663 RGNBLPQZXUNBEG-UHFFFAOYSA-N 321.279 1.918 10 10 DDCE Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1c(O)cccc1O 1156885286 CAKLXLLSZPMWEA-UHFFFAOYSA-N 321.264 1.657 10 10 DDCE COc1ccc(N2CCN(C(=O)Cc3[nH]cnc3C)CC2)cc1 1150069387 IETHXGALKKACEM-UHFFFAOYSA-N 314.389 1.618 10 10 DDCE C[C@H]1[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)CC[S@]1=O 1156039988 MMHZQIYLTOIRJR-BNJANLQDSA-N 322.390 1.831 10 10 DDCE OCCSCCNCc1cc(Br)ccc1O 1899600431 UFGXSTGACATWGD-UHFFFAOYSA-N 306.225 1.970 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)[C@H](O)CNC(=O)OC(C)(C)C 1887712293 JLPPKUOEONKVTR-SECBINFHSA-N 301.347 1.031 10 10 DDCE CN(Cc1ccccc1O)C(=O)NCc1nc(C(N)=O)cs1 1231184920 VHQXWFRQELVCFL-UHFFFAOYSA-N 320.374 1.289 10 10 DDCE CN[C@@H](C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 1329822992 HULVAKVTTRAEOM-UONOGXRCSA-N 320.437 1.571 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@H](NS(C)(=O)=O)C2)c(Cl)c1 702989654 YFEWQUYZRZOEMJ-KOLCDFICSA-N 318.826 1.521 10 10 DDCE Cn1ncc([C@@H](NCCN=[N+]=[N-])C(=O)O)c1Br 712448229 IHNQOYLBRRLGLB-ZCFIWIBFSA-N 303.120 1.208 10 10 DDCE CN1CCN(c2ccc(CO)c(Br)c2)[C@@H](CO)C1 699544067 PSVGWDJNKRNYHN-GFCCVEGCSA-N 315.211 1.054 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2ncc[nH]2)cc1C 1266692055 FFZDOIZNBHBMMX-UHFFFAOYSA-N 302.378 1.589 10 10 DDCE CNC(=O)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1C 1441308997 MEKIJTVACJCNJX-UHFFFAOYSA-N 314.341 1.947 10 10 DDCE CCN1CC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 1294756076 RFVXLHDQWPVXOJ-MRXNPFEDSA-N 303.406 1.438 10 10 DDCE O=c1cc(CO)c2cc(O)c(O)c(CN3CCCCC3)c2o1 1615247568 GRLCVABQUIIIEX-UHFFFAOYSA-N 305.330 1.682 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCN3C(=O)CC[C@H]3C2)cc1 1545816161 AYZQYAWTVINDFL-LBPRGKRZSA-N 315.333 1.296 10 10 DDCE COc1ccc(CC(=O)NCc2c(O)cccc2O)cc1O 1647289435 DHHZUSFELKUIQJ-UHFFFAOYSA-N 303.314 1.671 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccnc(-c2ncc[nH]2)c1 1643881764 DJVZSAFNRZFNND-UHFFFAOYSA-N 310.313 1.813 10 10 DDCE C[C@@H](N[C@H](C)c1ccccc1O)c1nc(-c2nc[nH]n2)no1 1654532186 JSEHWZXKDZUQLE-RKDXNWHRSA-N 300.322 1.972 10 10 DDCE CCOCC(=O)N[C@H]1C[C@H](NCc2ccc(OC)c(C)c2)C1 1661389383 XMGQKJCZTSPQAD-SHTZXODSSA-N 306.406 1.777 10 10 DDCE CN(Cc1csnn1)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 2150285301 XJTVSEZLGFFAQW-NSHDSACASA-N 309.782 1.780 10 10 DDCE CN(CC(F)(F)CO)c1cc2c(cc1Cl)[C@H](O)C(=O)N2 2150981869 OGIMNOZXIRKLLI-JTQLQIEISA-N 306.696 1.389 10 10 DDCE CS(=O)(=O)N1CC[C@@H](CN2CCC[C@@H](N=[N+]=[N-])CC2)C1 2155559011 ULEBNIPLLJBVEJ-NWDGAFQWSA-N 301.416 1.433 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H](O)[C@H]3C2)c(Br)c1 2033979076 YMVAAEDOVLZFAQ-MJVIPROJSA-N 311.223 1.986 10 10 DDCE O=C(NCc1ccccc1O)c1ncncc1Br 311227874 YFVPXQQABUOYTE-UHFFFAOYSA-N 308.135 1.875 10 10 DDCE C[C@H](CCS(C)(=O)=O)N(C)Cc1ccc(F)c(F)c1O 2160751221 VDCAPDXIJVJPFU-SECBINFHSA-N 307.362 1.925 10 10 DDCE C[C@H]1CN(S(=O)(=O)Nc2ccc(O)cc2Cl)C[C@@H](C)N1 2161241929 SOUIBASTZILXFH-DTORHVGOSA-N 319.814 1.385 10 10 DDCE CCS(=O)(=O)C[C@H](C)NCc1cc(Cl)cc(OC)c1O 2170598475 XRCZYWZXXRLFAX-VIFPVBQESA-N 321.826 1.967 10 10 DDCE CC[C@@H](N[C@H]1CONC1=O)c1cc(Br)ccc1O 393800665 PXMFTNXHZDTUHL-ZJUUUORDSA-N 315.167 1.625 10 10 DDCE O=C1CC[C@H](NCc2cc(Br)ccc2O)CCN1 396703739 JNUWIMCJBIWBKE-NSHDSACASA-N 313.195 1.913 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3[C@H]4CC[C@H]3[C@@H](C)[C@@H](O)C4)c2n1 2064841968 FHFFIBXJXMJGOM-URBCHYCLSA-N 316.361 1.117 10 10 DDCE O=S1(=O)C[C@H]2[C@H](CNCc3cc(F)cc(F)c3O)[C@H]2C1 2174617097 HOYIQSRSWNYMNZ-RTCCRHLQSA-N 303.330 1.051 10 10 DDCE C[C@H](Cn1cnnc1)NCc1c(O)cccc1Br 2066620589 VHZBCQICFLFZNU-SECBINFHSA-N 311.183 1.925 10 10 DDCE CC(C)(C)OC(=O)N1CCC[C@H](COc2nnc(=N)[nH]n2)CC1 2210655207 CWOXRSPLSMQJJH-JTQLQIEISA-N 324.385 1.095 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H]2[C@H](O)CO)cc1Br 2258342674 BDLRDJBDSCJYAR-AQUOVQTQSA-N 315.211 1.401 10 10 DDCE COCCN(CCN(C)C)C(=O)C=Cc1ccc(O)c(O)c1 2307987102 DHIKUXSHJGBPPP-UHFFFAOYSA-N 308.378 1.148 10 10 DDCE Cc1ccc(CN[C@@H]2COCC[C@@H]2O)c(O)c1Br 2327630152 HZGMTYBJVIDZKV-MNOVXSKESA-N 316.195 1.703 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)C[C@H](N)C2(C)C)s1 2347087526 RWWJYKUDAMKLRE-UFBFGSQYSA-N 301.437 1.535 10 10 DDCE CCOc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)ccc1OC 59861444 IDRJBXRPNGHNDS-JXMROGBWSA-N 304.302 1.186 10 10 DDCE CC(C)C(=O)N1CCC(NC(=O)c2cccc(O)c2O)CC1 186892444 GEALZYVVZIDSMY-UHFFFAOYSA-N 306.362 1.475 10 10 DDCE Cc1cc(CNC(=O)c2ccc(C)c(O)c2O)nc(N(C)C)n1 191101186 LWNOTUFAVRUXMN-UHFFFAOYSA-N 316.361 1.501 10 10 DDCE C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](C)CO 265952677 NZBCOJYWGDBZIF-KBPBESRZSA-N 303.406 1.879 10 10 DDCE COc1cc(O)c(CNCC[C@@H](O)C(F)(F)F)cc1OC 809742637 BTUCRRLWFQZRQS-GFCCVEGCSA-N 309.284 1.812 10 10 DDCE Cc1cc(NS(=O)(=O)c2nnc(N)s2)c(C)cc1O 722226686 NUQTWMMUYFYBBL-UHFFFAOYSA-N 300.365 1.244 10 10 DDCE C[C@H]1OCC[C@@H]1N(CCO)Cc1ccc(N2CCOCC2)cc1 825129861 GWFISROEXQFLQC-QAPCUYQASA-N 320.433 1.495 10 10 DDCE Cc1ccc(C(=O)N2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c(O)c1O 837036807 IYJDUMFUVJVKIN-PRHODGIISA-N 319.279 1.792 10 10 DDCE C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O)c1ccc(N(C)C)cc1 845126168 XFOPBCBEHAMNNF-COJRSXKASA-N 321.446 1.728 10 10 DDCE C[C@H]1CNCC[C@H]1NC(=O)NCCCSc1nccs1 841856868 LLSHVEDDJJDSFY-WDEREUQCSA-N 314.480 1.923 10 10 DDCE CCN1C[C@H](CN(C)CCN(C)c2ccc(OC)cc2)OC1=O 847007983 JHVRLHRCQYCZSS-INIZCTEOSA-N 321.421 1.904 10 10 DDCE COC1(OC)CC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 924712540 ZKTQQNWXOORLAM-INIZCTEOSA-N 324.396 1.903 10 10 DDCE C[C@@H]1OC[C@@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@@H]1C 926855731 WAFIXJPOMXUDMA-RVKKMQEKSA-N 303.450 1.951 10 10 DDCE CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2cc([N+](=O)[O-])ccc2O)C1 850354081 VCTLAQDPUPKQGV-DFBGVHRSSA-N 324.377 1.956 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](CO)C3)C2)cc1 854297500 PBBFXNGKPBGYQP-UONOGXRCSA-N 319.405 1.298 10 10 DDCE Cc1ccc(O)c(CNC(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 926676377 LDQPOXCOPLREMU-IPYPFGDCSA-N 306.362 1.304 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)COC(C)C 852883576 ZTBLJHBOZCBGMO-INIZCTEOSA-N 307.438 1.853 10 10 DDCE CO[C@H](CNC(=O)N(C)Cc1ccccc1O)[C@H]1CCOC1 854276049 IYKYFEJQKLRXEL-DZGCQCFKSA-N 308.378 1.585 10 10 DDCE Oc1cc2c(cc1CN1CCN([C@H]3CCOC3)CC1)CCC2 853551359 VZIYRVBFHVHPPI-KRWDZBQOSA-N 302.418 1.787 10 10 DDCE O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc(O)n[nH]1 856209754 AHLOEIVPRGYVDQ-UHFFFAOYSA-N 316.361 1.006 10 10 DDCE CO[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)[C@](C)(CO)C1 931472324 YCTDCXFWGDAHOF-MSOLQXFVSA-N 320.433 1.495 10 10 DDCE COc1ccc(N2CCCN(C(=O)CC3COC3)CC2)cc1 769696630 HNTXODDYFNUKBP-UHFFFAOYSA-N 304.390 1.770 10 10 DDCE O=C1OCC[C@H]2CN(Cc3c(O)ccc4ccncc34)CCN12 763321656 QUPVVGSJAPNZCZ-ZDUSSCGKSA-N 313.357 1.967 10 10 DDCE O=C(COC1CC1)NCc1ccc(N2CCC(CO)CC2)cc1 878299919 AAZAFQWIRZUVKC-UHFFFAOYSA-N 318.417 1.691 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CCS(=O)CC1 896164236 GFHSNDWTORCDOA-UHFFFAOYSA-N 311.384 1.517 10 10 DDCE COc1ccc(N2CCN(C[C@H](O)CCOC(C)C)CC2)cc1 788066233 CCXXGQHEBSSVSM-QGZVFWFLSA-N 322.449 1.993 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CC[C@]23CCOC3)cc1 1327574380 UJAJPOTWRYIAMR-QGZVFWFLSA-N 303.406 1.234 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N2CCCC2(C)C)cc1F 1321934668 HUKSWILDJHSSJD-UHFFFAOYSA-N 321.396 1.909 10 10 DDCE COC(=O)N(C)CCN(C)Cc1cc(OC)c(OC)cc1O 1327803064 IDILLHCVSKMRRZ-UHFFFAOYSA-N 312.366 1.539 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2[C@H]3CCC[C@H]32)cc1F 1324530464 ONRAWURQGAGJCF-JYAVWHMHSA-N 319.380 1.423 10 10 DDCE CS(=O)(=O)c1ccc([S@](=O)Cc2ccc(N)cc2)cc1 63131647 KKMNMVOXNMLVTM-IBGZPJMESA-N 309.412 1.980 10 10 DDCE COC[C@@](C)(CO)NCc1cc(Br)ccc1O 716856484 SWUKVZSYDSNFQG-GFCCVEGCSA-N 304.184 1.642 10 10 DDCE O=C(c1cccc(O)c1O)N1CCN(C[C@@H]2CCCO2)CC1 1290005375 CKMFMTGGQQWMLD-LBPRGKRZSA-N 306.362 1.035 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CNC(=O)C1 1470517466 ZCFGDGGAXFFKNG-CYBMUJFWSA-N 304.394 1.030 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ncc(Br)cn1 1472063353 IQLVHLOOZRDITP-UHFFFAOYSA-N 324.134 1.580 10 10 DDCE CCOCC(=O)N1CC[C@H](CNCc2ccc(OC)c(C)c2)C1 1714338227 QLQOGGSEDIIVAY-MRXNPFEDSA-N 320.433 1.978 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)C=C2CCC2)cc1C 1716083693 IMPZSSODBUKBJP-MRXNPFEDSA-N 318.417 1.681 10 10 DDCE CN(C)C(=O)[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 1570318013 FGRQYNNXBYAOFZ-TXNVCOODSA-N 304.346 1.048 10 10 DDCE O=C(NCc1cccc(O)c1O)c1scc2c1OCCO2 1644711368 ZNOUNQXAXFNNPL-UHFFFAOYSA-N 307.327 1.861 10 10 DDCE Cn1nccc1[C@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1652541826 BFNJIIUOERYMCX-GFCCVEGCSA-N 316.321 1.046 10 10 DDCE Cn1nnc(Br)c1C(=O)N1CCC(N=[N+]=[N-])CC1 1912171677 ODUIOOYMKGBJNP-UHFFFAOYSA-N 314.147 1.493 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2C[C@H]2C)cc1C 1699056231 YXUVFGBPZDPJPE-BYCMXARLSA-N 306.406 1.226 10 10 DDCE O=C1CN[C@H](c2cc(Cl)cc(Br)c2O)CN1 1951964241 FHXHCJRVORBPQU-QMMMGPOBSA-N 305.559 1.569 10 10 DDCE CS(=O)(=O)C[C@H]1C[C@@H](NCc2cccc(Cl)c2O)C1 1974491334 ZVYQJVPKEMTKEW-JGZJWPJOSA-N 303.811 1.958 10 10 DDCE CC(C)(C)OC(=O)N=c1cc(C(=O)NCCCCN=[N+]=[N-])[nH][nH]1 1985096232 OLSKWFUMEPEGQC-UHFFFAOYSA-N 323.357 1.999 10 10 DDCE C[C@H](O)CC(C)(C)CNS(=O)(=O)Cc1ccc(N)cc1 393550274 PFJPJIXUADUYBQ-NSHDSACASA-N 300.424 1.485 10 10 DDCE CO[C@H]1CCC[C@H](NC(=O)c2cnn3c(O)cc(C)nc23)C1 2062417251 ALLZHSBWEQCPFW-QWRGUYRKSA-N 304.350 1.431 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCCC[C@H]3C[C@H](C)O)c2n1 2063654457 UCSMHGFCKSYQAJ-RYUDHWBXSA-N 318.377 1.509 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCCC[C@@H]3CO)c2n1 2063824279 MODUWPPULMAUSB-PWSUYJOCSA-N 304.350 1.024 10 10 DDCE CO[C@]1(C)C[C@H](NC(=O)c2cnn3c(O)cc(C)nc23)C1(C)C 2064582640 XFALRLFIQBZTKG-MEDUHNTESA-N 318.377 1.677 10 10 DDCE CN(CCc1ccc(N)cc1)Cc1c(Br)nnn1C 2100244041 OJEBQRBBYDDLNK-UHFFFAOYSA-N 324.226 1.834 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)N1CCC[C@H]1CO 2105592473 CFCLWKUCXJSCLC-QMMMGPOBSA-N 306.771 1.159 10 10 DDCE CN[C@H](C)c1ccc(N2CC(S(C)(=O)=O)C2)c(Cl)c1 2095965580 YSDCKPHNJXUJFT-SECBINFHSA-N 302.827 1.854 10 10 DDCE CN1CC[C@@H](CNCc2cc(Br)c(O)cc2O)C1 2256017529 SDRGLBJXVOAABS-VIFPVBQESA-N 315.211 1.902 10 10 DDCE CSc1ncc(CNC(=O)N(CC(=O)O)C2CC2)s1 2269092525 IFIDDUBDUWYHEK-UHFFFAOYSA-N 301.393 1.624 10 10 DDCE COc1cc(OC)c(N2CCO[C@H]([C@@H](C)N)C2)cc1Cl 2285857294 QFHDWIOSVWRVKX-OTYXRUKQSA-N 300.786 1.910 10 10 DDCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1O 2297319471 JNCVRACXPOKQQF-UHFFFAOYSA-N 310.309 1.862 10 10 DDCE CO[C@@H]1CN(Cc2ccc(C)c(Br)c2O)C[C@H]1N 2327621155 KLIWEITZWUQLLF-GHMZBOCLSA-N 315.211 1.621 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)C[C@@H](C)N(C)C2)s1 2347895770 CSLDLFZTJZXCKT-PRHODGIISA-N 301.437 1.502 10 10 DDCE O=C1N=C(O)/C(=C\NCCCO)C(=O)N1CCC1=CCCCC1 103104993 ZJDWCWLWZJLZJG-ACCUITESSA-N 321.377 1.652 10 10 DDCE CCn1cc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1 133743286 YENIPQMEXJEWSK-UHFFFAOYSA-N 312.307 1.318 10 10 DDCE CCc1nc2n(n1)CCC[C@H]2NC(=O)c1ccc(C)c(O)c1O 182588224 NBTUBKFRGZKWPK-LLVKDONJSA-N 316.361 1.825 10 10 DDCE CN(CC1(CO)CC1)C(=O)NCc1ccc2c(c1)CCCN2C 187080988 DMFFCCXLVUSLJI-UHFFFAOYSA-N 317.433 1.983 10 10 DDCE NS(=O)(=O)CCCCCCNCc1cccc(O)c1O 2364242553 LYDGDSSHMZOTNW-UHFFFAOYSA-N 302.396 1.036 10 10 DDCE CCC[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)O 185052228 JJGKGUKDLZRZRZ-HNNXBMFYSA-N 321.421 1.554 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC(NC(=O)C3CC3)C2)cc1 186770443 NETLAVWEUOJWEX-UHFFFAOYSA-N 316.405 1.173 10 10 DDCE O=C(O)/C(=C/c1ccc(O)c(O)c1)C(=O)NCc1ccccc1 44226031 WXJNWGNDKQYPHI-MDWZMJQESA-N 313.309 1.882 10 10 DDCE Cc1ccc(/C=C/C(=O)NCCN2C(=O)CSC2=S)cc1 49756556 BUKYPNOCXLPMPH-VOTSOKGWSA-N 320.439 1.985 10 10 DDCE CCN(CCO)c1ccc(CNCC(=O)O)cc1OC(C)C 212129247 OJUYJIYNFPBTES-UHFFFAOYSA-N 310.394 1.467 10 10 DDCE NC[C@H](N)c1c(O)cc(Br)cc1Br 95706292 LLOSCTMFDFWRRM-LURJTMIESA-N 309.989 1.876 10 10 DDCE C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](CO)O1 249282458 LBFCCBVSKBPPAF-YOEHRIQHSA-N 306.406 1.105 10 10 DDCE CC(=O)C(=O)COC(=O)C(C)(C)c1ccc2c(c1)OCCO2 808510605 ZXPZCQFZJYBJOP-UHFFFAOYSA-N 306.314 1.437 10 10 DDCE COCC[C@H](COC)NC(=O)NCc1ccc(N(C)C)cc1C 811955667 DABXFPKWQLLWOP-OAHLLOKOSA-N 323.437 1.912 10 10 DDCE CN1CCCc2cc(CNC(=O)CCc3cn(C)nn3)ccc21 824676567 MMWUQXIMKWRXPM-UHFFFAOYSA-N 313.405 1.447 10 10 DDCE CN(C)c1ccc(CN2CCC(N3CC[C@@H](O)C3)CC2)cc1F 827698863 CCZGAIARCSDSFS-MRXNPFEDSA-N 321.440 1.923 10 10 DDCE O=C(NCc1c(O)ccc2c1CCCC2)C12CCN(CC1)C2 827677121 YPUALKDCFDGZNA-UHFFFAOYSA-N 300.402 1.983 10 10 DDCE COc1cccc(CN2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1O 824654421 OBDUYCVKSLPDFK-RBSFLKMASA-N 307.390 1.763 10 10 DDCE COc1ccc(N2CCCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)cc1 822919643 MYNMUUWYSIKLLN-FVQHAEBGSA-N 316.401 1.626 10 10 DDCE CC[S@](=O)CCNC(=O)c1cc(C)n(-c2ccccn2)c1C 733964054 KDCNZKFJTKAGQS-QFIPXVFZSA-N 319.430 1.988 10 10 DDCE CN(C)c1ccc(/C=C/CN2CC[C@H](S(N)(=O)=O)C2)cc1 835044725 DFPBGACQVLMHIT-BWPKMQGJSA-N 309.435 1.129 10 10 DDCE NC(=O)[C@H]1C[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 845444826 BCTKTNOYHGGPTO-TXEJJXNPSA-N 317.389 1.334 10 10 DDCE O=C(Cc1ccon1)NCc1ccc(N2CCOCC2)cc1 740742130 ILYILQNOAWWHBF-UHFFFAOYSA-N 301.346 1.370 10 10 DDCE C[C@]1(C2CC2)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 853529168 QQAYVBUSLCWSNZ-DOTOQJQBSA-N 305.374 1.819 10 10 DDCE COCCc1cc(NC(=O)NCc2c(O)cccc2F)n(C)n1 930435824 SDBQXNRRTQYXFF-UHFFFAOYSA-N 322.340 1.775 10 10 DDCE C[C@H]1[C@@H](C)N(Cc2ccc(F)c(F)c2O)CCS1(=O)=O 876753658 INCMOCSZQGYPSI-BDAKNGLRSA-N 305.346 1.678 10 10 DDCE CN(Cc1ccc(F)c(F)c1O)C[C@@H]1CCS(=O)(=O)C1 876760426 ULBUAKHCNQGWQE-VIFPVBQESA-N 305.346 1.537 10 10 DDCE CC(C)C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 778916479 IPLBHCDWQWEBPJ-GFCCVEGCSA-N 306.362 1.361 10 10 DDCE CC(=O)C(=O)COC(=O)C[S@](=O)c1ccc(Cl)cc1 885192118 AVNBRZSEOISIEY-IBGZPJMESA-N 302.735 1.149 10 10 DDCE CS[C@@H](CO)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1137516179 XXXIVUHDMYBLCO-KWQFWETISA-N 310.379 1.691 10 10 DDCE CC(=O)N1CC[C@@](C)(C(=O)NCc2cccc(Cl)c2O)C1 890759635 FOTMXEBDQICZJH-OAHLLOKOSA-N 310.781 1.920 10 10 DDCE Cn1nncc1CNC(=O)c1cc2cc(O)c(O)cc2s1 1160395134 DAPIJWHHWSXVBF-UHFFFAOYSA-N 304.331 1.371 10 10 DDCE O=C(N[C@@H](CO)c1cc(F)ccc1F)c1cccc(O)c1O 1305535504 OUANXNKLFRWPQI-LBPRGKRZSA-N 309.268 1.839 10 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303.387 1.610 10 10 DDCE COC(=O)[C@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc21 492034331 RNKZTSXIWZGJLZ-UZYOAWRESA-N 309.325 1.793 10 10 DDCE Cc1ccc(CNC[C@]2(C)CC(=O)N2)c(O)c1Br 2327799306 TUXYKJJZQPQXSX-ZDUSSCGKSA-N 313.195 1.831 10 10 DDCE CC[C@](NCc1cnc(SC)s1)(C(=O)O)C1CNC1 2349500202 ITVSNAFZAJENFX-GFCCVEGCSA-N 301.437 1.407 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCCC[C@@H]2N)s1 2349503689 YYSMBAJEASMDPN-JOYOIKCWSA-N 301.437 1.679 10 10 DDCE COc1cccc(CNC(=O)CNC(=O)c2ccsc2)c1O 105649529 DAZVESNQOSEYOQ-UHFFFAOYSA-N 320.370 1.509 10 10 DDCE COc1cccc(CN(C)CC2CCN(C[C@H](C)O)CC2)c1O 121135500 ZHYSJTCLSRORKC-AWEZNQCLSA-N 322.449 1.925 10 10 DDCE CN(Cc1ccc(N)cc1)S(=O)(=O)CCc1ccccn1 37661491 DLIQBXYGIIPBSX-UHFFFAOYSA-N 305.403 1.668 10 10 DDCE Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1ccc(O)c(O)c1 122118316 GNJMYOBPNYUVNT-UHFFFAOYSA-N 317.301 1.682 10 10 DDCE COc1cc(Cl)c(N2CC[C@H](CO)[C@@H](N)C2)c(OC)c1 2368300522 BORWXKRKAPKQMB-SKDRFNHKSA-N 300.786 1.503 10 10 DDCE COc1cc(Cl)c(N2C[C@@H](C)O[C@@H](CO)C2)c(OC)c1 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315.211 1.665 10 10 DDCE CS(=O)(=O)[C@@H]1CSCCN1CCc1ccc(N)cc1 90921758 RKTYHCGASXPYEF-CYBMUJFWSA-N 300.449 1.231 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@]1(C)CCC(=O)N1 1353920433 VPKSZEWHJXKLPW-SFHVURJKSA-N 315.417 1.914 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)CC(=O)OC 1449117492 HPVBSXAZRGLEGB-SNVBAGLBSA-N 300.351 1.693 10 10 DDCE CN(C)c1ccc(CNC(=O)c2nc(-c3cnccn3)no2)cc1 1540417458 NWYSFEOVLSUVMN-UHFFFAOYSA-N 324.344 1.523 10 10 DDCE COC(=O)/C=C\c1ccc(C(=O)NCc2ccc(O)cc2O)o1 1626847974 GQQOTECOWBILGH-ALCCZGGFSA-N 317.297 1.807 10 10 DDCE Cc1c(C(=O)NCc2c(O)cccc2O)cnn1-c1ccccn1 1558534680 WPZPILAOFDJUBV-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCCCO 1567990428 HLJHRGDGPAOQNY-LBPRGKRZSA-N 321.381 1.329 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2ccon2)cc1C 1663834945 ZFJVVFBZSGQCTA-UHFFFAOYSA-N 303.362 1.853 10 10 DDCE C[C@H]1C[C@H](CNCc2c(O)cccc2F)CCS1(=O)=O 1966091210 SPUBIUXTFRYNEX-WDEREUQCSA-N 301.383 1.834 10 10 DDCE CCn1nccc1/C=C/C(=O)NCc1cc(OC)ccc1O 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COc1cc(Cl)cc(CN(C)[C@@H]2COC[C@@H]2OC)c1O 2177283638 OEMHUOZKYCNNGV-YPMHNXCESA-N 301.770 1.900 10 10 DDCE CCc1nn([C@@H](CC)c2ccc(OC)cc2O)c(N)c1C(N)=O 2079984928 IYHZRCJNLVLRIP-LBPRGKRZSA-N 318.377 1.840 10 10 DDCE [N-]=[N+]=N[C@H]1CCCN(C(=O)NC2CCS(=O)(=O)CC2)C1 2197932592 PAPJKXSWYAQGTO-JTQLQIEISA-N 301.372 1.048 10 10 DDCE CN[C@@H]1CC[C@@H]1CS(=O)(=O)NCc1cnc(SC)s1 2269097333 CJTYNZARBOMSQY-PSASIEDQSA-N 321.493 1.282 10 10 DDCE Cc1ccc(CN2CCOC[C@H]2CO)c(O)c1Br 2327788087 ACUXJCGWFHUIOL-LLVKDONJSA-N 316.195 1.656 10 10 DDCE COC(=O)[C@H]1C[C@@H](C(=O)NCc2cnc(SC)s2)C1 2337545311 NUFJSTYRIKOOKG-OCAPTIKFSA-N 300.405 1.680 10 10 DDCE COC(=O)C1CC(C(=O)NCc2cnc(SC)s2)C1 2337608996 NUFJSTYRIKOOKG-UHFFFAOYSA-N 300.405 1.680 10 10 DDCE CC(C)N1CCN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)CC1 118705440 RLRIEMGIHACGFU-AWEZNQCLSA-N 308.813 1.822 10 10 DDCE CCN[C@H]1C(=O)Nc2cc(N3CCC[C@H](O)C3)c(Cl)cc21 118705673 XLXYTONQSNDQEU-LKFCYVNXSA-N 309.797 1.904 10 10 DDCE Cc1nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(=O)[nH]c1C 120497206 MBEABDRYLVSUSN-UHFFFAOYSA-N 314.389 1.725 10 10 DDCE CN(CCS(C)(=O)=O)c1ccc(/C=C\C(=O)O)cc1F 211161047 NNBUKCBHFBADOU-XQRVVYSFSA-N 301.339 1.404 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4[C@H](O)CC[C@H]4C3)c(Cl)cc21 228048458 NBHIEUFPIDGVPH-JJTDGREXSA-N 307.781 1.499 10 10 DDCE CS(=O)(=O)CC1CCN(Cc2cccc(F)c2O)CC1 292744207 HVUMKQCHQHOZDG-UHFFFAOYSA-N 301.383 1.788 10 10 DDCE CCN(CC(=O)O)C1CC(NCc2ccc3c(c2)CCO3)C1 263528151 VAWLYHHOZQWATH-UHFFFAOYSA-N 304.390 1.649 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CSC(=O)N1 266873768 DSWRGEHPWFDQAF-SNVBAGLBSA-N 307.375 1.303 10 10 DDCE COCCN1CN(Cc2cc(Cl)c(F)cc2O)CC1=O 294484076 ASLOCEAMLOONDJ-UHFFFAOYSA-N 302.733 1.433 10 10 DDCE C/C=C\[C@@H](O)C(=O)NCc1ccc(N2CCSCC2)cc1 900255528 ZZZUQJUDPXMJTE-MPNWYJEXSA-N 306.431 1.793 10 10 DDCE OC[C@]1(O)CCCN(Cc2cc(Br)ccc2O)C1 839159725 OZWTWOXKKUKXFB-ZDUSSCGKSA-N 316.195 1.474 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)C23CCN(CC2)C3)cc1 911892940 NWUBPVMCLMPXMN-UHFFFAOYSA-N 317.433 1.686 10 10 DDCE C[C@H]1CNCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 841064899 VUAZKUZKFYVNGQ-BBRMVZONSA-N 307.413 1.750 10 10 DDCE Cn1cc(N2CCC[C@@H](NC(=O)c3cc(O)cs3)C2)cn1 743638228 QKYCTFFDGHZPIE-SNVBAGLBSA-N 306.391 1.586 10 10 DDCE Cn1c(NC(=O)/C=C/c2ccc(O)c(O)c2)nnc1C1CC1 855250816 BGAYBDYEZWULRO-XVNBXDOJSA-N 300.318 1.756 10 10 DDCE COCc1n[nH]c(CNC/C=C/c2ccc(N(C)C)cc2)n1 850360737 OSBNRKNSHZJGRU-SNAWJCMRSA-N 301.394 1.820 10 10 DDCE CCOC(=O)CN1C(=O)/C(=C\c2cnn(C)c2)c2ccccc21 755412381 ZZTWXFZEJMBWFB-ZSOIEALJSA-N 311.341 1.870 10 10 DDCE C[C@H](NCCCN1CCCS1(=O)=O)c1ccc(F)cc1O 756690158 ZQKLPSLZAVQURL-NSHDSACASA-N 316.398 1.608 10 10 DDCE COC(=O)/C(C)=C/CN1C(=O)CN(Cc2ccccc2O)C1=O 925191701 OVBXCWQAGKGZOW-YRNVUSSQSA-N 318.329 1.276 10 10 DDCE COc1cc(C)cc(CN2CCc3nn(C)c(=O)cc3C2)c1O 754736135 HLMLRFRQFMXBIM-UHFFFAOYSA-N 315.373 1.361 10 10 DDCE CCOC(=O)C1=CC[C@@H](NCc2cc3c(cc2O)OCO3)C1 862487057 LETNEUPMOPWPJX-GFCCVEGCSA-N 305.330 1.862 10 10 DDCE COc1ccc(N(CC(=O)O)C[C@H](C)C(=O)O)cc1Cl 71716792 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CNc1ccncc1S(=O)(=O)Nc1cccc(N(C)C)c1 161426827 HOJOZJVEDOZNSW-UHFFFAOYSA-N 306.391 1.990 10 10 DDCE COc1ccc(OCCNC(=O)COc2ccc(N)cc2)cc1 1860080862 SHOYJSFRQGRJJI-UHFFFAOYSA-N 316.357 1.851 10 10 DDCE Cc1nc(NC(=O)c2cc(O)c(O)c(O)c2)sc1C(=O)O 1865876479 NDRZSXAIWWZZKO-UHFFFAOYSA-N 310.287 1.519 10 10 DDCE CCN(CC)c1ccc(CNCC(=O)N2CCNCC2)cc1 1857866532 PAVNUVHVSRCMMR-UHFFFAOYSA-N 304.438 1.054 10 10 DDCE O=C1CCN(C(=O)CCNCc2cc(Cl)ccc2O)CC1 1857864922 NKTQQICVCWEWQQ-UHFFFAOYSA-N 310.781 1.717 10 10 DDCE CC(C)(C)OC(=O)N1CC(=O)N[C@H](Cc2ccc(N)cc2)C1 1952853602 NAPKUYJTJNEXGI-CYBMUJFWSA-N 305.378 1.547 10 10 DDCE C[C@@H]1C[C@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)N(C(=O)OC(C)(C)C)C1 1980372230 YSYUUVYVGIYTRO-FDYHWXHSSA-N 324.421 1.898 10 10 DDCE Cc1cccc(CNC(=O)[C@H](N)COCc2ccccc2)c1O 1994451298 JCISYZLTGXIXBR-MRXNPFEDSA-N 314.385 1.861 10 10 DDCE CC[C@@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1994989755 SXOJKSSUEJFKMM-BDBYMAIGSA-N 324.421 1.945 10 10 DDCE CO[C@H]1CN(C)C[C@@H]1NCc1cccc(Br)c1O 2034334076 KNLUOXGANDPFDB-RYUDHWBXSA-N 315.211 1.573 10 10 DDCE CO[C@H]1C[C@H](CF)N(S(=O)(=O)Cc2ccc(N)cc2)C1 2190241885 YWYYCNQQJHUCQB-OLZOCXBDSA-N 302.371 1.157 10 10 DDCE C[C@H](c1ccc(Cl)cc1O)N(C)CCN(C)S(C)(=O)=O 2203360638 IPSODNIYUKBORC-SNVBAGLBSA-N 320.842 1.930 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@H]2CCCN2)s1 2256939910 JYDPILUJKMQRIH-MRVPVSSYSA-N 307.466 1.036 10 10 DDCE CCO[C@@H]1CS(=O)(=O)C[C@@H]1NCc1cnc(SC)s1 2269090071 JIZNVOWLUBWGEM-VHSXEESVSA-N 322.477 1.157 10 10 DDCE CN=c1[nH]c2c(c(=NCc3cnc(SC)s3)[nH]1)CCC2 2284725799 JVZZYJFVNCMSFX-UHFFFAOYSA-N 307.448 1.641 10 10 DDCE Cc1ccc(CNC2(C(N)=O)CCC2)c(O)c1Br 2327791027 YIKKYCZYSNMYCN-UHFFFAOYSA-N 313.195 1.961 10 10 DDCE COC(=O)[C@H](C)CC(=O)NCCCSc1nccs1 178276892 DFOBQLVKKIRODR-SECBINFHSA-N 302.421 1.941 10 10 DDCE COCCN(CCCNC(C)=O)c1ccc(OC)c(OC)c1 126351531 OESGURXXUAGHJY-UHFFFAOYSA-N 310.394 1.683 10 10 DDCE COc1cc(O)c(CN2CCC[C@H](n3cncn3)C2)cc1OC 180066871 KBCFSQIYBJIYGU-ZDUSSCGKSA-N 318.377 1.838 10 10 DDCE COc1cc(Cl)c(N2C[C@@H](O)[C@@H](O)C2(C)C)c(OC)c1 2368091877 FWZHFFABZCYWHR-ZWNOBZJWSA-N 301.770 1.678 10 10 DDCE COc1cccc(/C=C2/SC(=S)N(NC(C)=O)C2=O)c1 83295121 FVUBHCXZXASJMF-YRNVUSSQSA-N 308.384 1.948 10 10 DDCE O=C1COC[C@H](c2ccc(I)cc2O)N1 238702716 JTWGFEDTRFAEHD-MRVPVSSYSA-N 319.098 1.184 10 10 DDCE COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc(Cl)cc(OC)c1O 373761889 CGBYWOSITKHLEG-QWRGUYRKSA-N 315.753 1.162 10 10 DDCE CC(C)[C@@](C)(NCc1ccc(N2CCOCC2)cc1)C(N)=O 389185716 ZERQDQMPXXYRBO-QGZVFWFLSA-N 305.422 1.513 10 10 DDCE COCc1csc(NC(=O)C(=O)NCc2ccccc2O)n1 806880376 SBRJKYCQKWFMMS-UHFFFAOYSA-N 321.358 1.250 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(Br)c1F 808541230 GNWLYPACGGBBLG-UHFFFAOYSA-N 303.083 1.903 10 10 DDCE COC[C@@]1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCOC1 823709590 YGHAEUXLSHZIAJ-KRWDZBQOSA-N 306.406 1.764 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCN2CCC[C@H]2C1 914150647 PZKBSFUTNZAUPA-NEPJUHHUSA-N 307.369 1.957 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CC(C)(OC)C3)C2)cc1 854299803 RRSYMOKZOPMABH-ZDUSSCGKSA-N 319.405 1.704 10 10 DDCE CCO[C@@H](CS(=O)(=O)N(C)Cc1ccccc1O)C1CC1 859004015 ABYJYHLAQFVTEN-HNNXBMFYSA-N 313.419 1.969 10 10 DDCE COC(=O)/C(C)=C/CNC(=O)NCc1cccc(OC)c1O 925025346 AYKPCZGBTDFPNJ-JXMROGBWSA-N 308.334 1.319 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCCC[C@H](C)O)C2)cc1 854300235 XFZDGCQOWRBLAF-KBPBESRZSA-N 321.421 1.734 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCn3c(O)nnc3C2)c1O 771814251 YTPVHPHHVVDGAM-UHFFFAOYSA-N 306.297 1.047 10 10 DDCE COC(=O)[C@@H](NCc1cc(C)c(C)cc1O)c1ccn(C)n1 787438315 NLPRLHLFMCNLIW-HNNXBMFYSA-N 303.362 1.746 10 10 DDCE COc1cc(NS(=O)(=O)c2cnc3n2CCC3)ccc1O 797820442 XYKJEAQRRUASPL-UHFFFAOYSA-N 309.347 1.344 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](CNc2ccc(N)cc2)[C@@H](O)C1 1959359581 MODUOEYVQSACPF-FZMZJTMJSA-N 307.394 1.909 10 10 DDCE Cc1cnc2nc(C(=O)NCc3c(O)cccc3F)nn2c1 1156170046 DIQSCFOFULCOQE-UHFFFAOYSA-N 301.281 1.207 10 10 DDCE O=C1NCCc2c(NC(=O)c3c(F)ccc(O)c3O)cccc21 1306857329 HRGRNSRLCPMGRW-UHFFFAOYSA-N 316.288 1.775 10 10 DDCE Nc1ccnn1CC(=O)NCc1ccc(N2CCCCC2)cc1 1162800806 NBEPHPPEKUJAFW-UHFFFAOYSA-N 313.405 1.772 10 10 DDCE Cc1nc(O)nc(O)c1CCC(=O)N1Cc2cccc(O)c2C1 1175029312 BFNQNTLVTICBFB-UHFFFAOYSA-N 315.329 1.377 10 10 DDCE O=C1OCCN1CCNCc1cc(Br)ccc1O 1964563895 GZSJOHOJXPFFTD-UHFFFAOYSA-N 315.167 1.697 10 10 DDCE C[C@@H]1SCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H]1C 1329365210 JQJCAWIUZOFTHW-MNOVXSKESA-N 320.414 1.587 10 10 DDCE CN(C)c1ccc(CNC(=O)c2ccn3nnnc3c2)cc1F 1356250650 JXMRHLUKOBFKFY-UHFFFAOYSA-N 314.324 1.259 10 10 DDCE CCOc1ccc(N2CCN(C[C@]3(O)CCCOC3)CC2)cc1 1459794100 BKCFTTYYZMAGBD-GOSISDBHSA-N 320.433 1.749 10 10 DDCE NC(=O)[C@@H]1OCC[C@H]1NCc1cc(Cl)cc(Cl)c1O 2117464752 AXZVJYAMXPOADU-MWLCHTKSSA-N 305.161 1.431 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CCOc2ccc(O)cc2C1 1472604752 IGZBMPDQPCMMRT-UHFFFAOYSA-N 319.288 1.977 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@@]1(O)CCc2ccccc2C1 1635846967 FBPLNHALAZCUDR-GOSISDBHSA-N 313.353 1.634 10 10 DDCE Cc1ccc([C@@H](O)CNC(=O)Cc2ccc(O)c(O)c2)cc1 1568184198 LLDXVPZQYLQFSR-INIZCTEOSA-N 301.342 1.799 10 10 DDCE COCCN(C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1570753441 JRLAQFYJPCOWIP-LLVKDONJSA-N 321.381 1.546 10 10 DDCE COc1cccn2ncc(C(=O)NCc3c(O)cccc3O)c12 1652629025 TVXWAJQGSXRNIR-UHFFFAOYSA-N 313.313 1.684 10 10 DDCE COC(=O)CCCS(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 1912186360 CPBCHXCZUYJLGH-UHFFFAOYSA-N 304.372 1.292 10 10 DDCE CCCC(=O)N1CCC(NC(=O)c2cc(O)c(O)c(O)c2)CC1 169881942 OSLVCCUTMDIPNY-UHFFFAOYSA-N 322.361 1.324 10 10 DDCE Nc1ccc(CCN2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)cc1 1977926326 OVALQHYBBOVFDE-QWHCGFSZSA-N 313.323 1.659 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)N2CC(N=[N+]=[N-])C2)=C[C@@H]1O 1987692939 PAIQYTUUKVAOFF-QWRGUYRKSA-N 323.353 1.092 10 10 DDCE Nc1ccc(NC(=O)CCN2CCCC[C@@H]2C2OCCO2)cc1 2145810470 XBMWQKMZWMUHMU-OAHLLOKOSA-N 319.405 1.825 10 10 DDCE NC(=S)c1c[nH]nc1NC(=O)C1=S=Nc2ccccc21 2159955946 GLLPSNZMPVBVFF-UHFFFAOYSA-N 303.372 1.114 10 10 DDCE C[C@H]1CN(c2ccc(CN)c(F)c2F)C[C@H](C)S1(=O)=O 400849282 PGCQQWPJRBCDFI-IUCAKERBSA-N 304.362 1.435 10 10 DDCE O=C(O)[C@@H]1COCCN1Cc1c(O)cccc1Br 706628767 ZAYRZKOMFMKIHP-JTQLQIEISA-N 316.151 1.440 10 10 DDCE O=C1NOC[C@H]1NCc1cc(Cl)cc(Br)c1O 708138398 MQDKQRIEZYHMIX-MRVPVSSYSA-N 321.558 1.328 10 10 DDCE CN(c1ccc(CN)c(Br)c1F)[C@H]1COC[C@H]1O 709422263 NLOXBTLRVKTRPF-VHSXEESVSA-N 319.174 1.243 10 10 DDCE Cc1c(C=CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1C 2053639798 VSWNEMCFLMQABP-NSHDSACASA-N 315.373 1.900 10 10 DDCE CCN(c1c(F)cc(CN)cc1F)[C@H]1CCS(=O)(=O)C1 387414212 TYGQECIBXXKPBG-JTQLQIEISA-N 304.362 1.437 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H](OCC(C)C)C3)c2n1 2063460820 GOEYEYJINLMBQD-LBPRGKRZSA-N 318.377 1.630 10 10 DDCE CN(C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1ccc(CO)cc1Cl 2174682220 YSDSJNYKAABATM-CNDDSTCGSA-N 315.822 1.559 10 10 DDCE CNCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(Br)c1 2043129922 UCGZHSOGYBGBPT-PHIMTYICSA-N 315.211 1.100 10 10 DDCE NCc1ccc(N2CC(=O)N[C@@H]3CC[C@@H]32)c(Br)c1 2049370647 JBMJOGDULZFUNC-PWSUYJOCSA-N 310.195 1.375 10 10 DDCE CN(Cc1ccc(Br)cc1O)[C@@H]1CC(=O)NC1=O 2051513694 LJOBRXVVZSZZTE-SECBINFHSA-N 313.151 1.002 10 10 DDCE C[C@@H](c1ccc(Cl)cc1O)N(C)CCN(C)S(C)(=O)=O 2203360635 IPSODNIYUKBORC-JTQLQIEISA-N 320.842 1.930 10 10 DDCE Cn1nc(Br)c(CN2CC[C@H](CN=[N+]=[N-])C2)n1 2214383454 SOJURKZGHZWTSJ-SSDOTTSWSA-N 300.164 1.710 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H](C)[C@H]2C(=O)O)s1 2269135222 SIBWBDWISYYRFF-SVRRBLITSA-N 301.393 1.480 10 10 DDCE O=C(O)C1(Sc2nccs2)C[C@H]2CSC[C@@H](C1)N2 2326897766 SYRSUIQRYCTJON-OQJHAAMPSA-N 302.446 1.926 10 10 DDCE Cc1cc(N2CCS(=O)(=O)CC2)ccc1CNCC(C)C 62736122 BRSCKWHXESPRFA-UHFFFAOYSA-N 310.463 1.975 10 10 DDCE C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)C[C@@H]1N1CCOCC1 177224095 PTZRVRWUWJIGEC-WFASDCNBSA-N 321.377 1.453 10 10 DDCE CNCc1ccc(N2CCNC(=O)[C@@H]2C)c(Br)c1 234450166 VMQNYMIYAGKUTF-VIFPVBQESA-N 312.211 1.493 10 10 DDCE Nc1ccc(NC(=S)N2CCN(c3ncccn3)CC2)cc1 242836616 FTNLXXCQJMTZNR-UHFFFAOYSA-N 314.418 1.578 10 10 DDCE C[C@H](c1ccccc1O)N1CCS(=O)(=O)C[C@H]1CC(=O)O 251528729 MIYZKUGCZVYDAW-GHMZBOCLSA-N 313.375 1.027 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)C2(C(=O)N(C)C)CC2)c1 806793631 STNXGGFVIAHUDD-SNVBAGLBSA-N 306.362 1.446 10 10 DDCE COC[C@]1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCOC1 828861192 MUDFTGGBUYZXDK-SUMWQHHRSA-N 306.406 1.983 10 10 DDCE COc1cc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccn1 831925570 YXZDSJQCEMTDQU-LLVKDONJSA-N 316.357 1.791 10 10 DDCE C[C@H](CNC/C=C/c1ccc(N(C)C)cc1)N1CCN(C)CC1 835037694 LHXMNAWEQCHXBU-FUTAKVPZSA-N 316.493 1.991 10 10 DDCE C[C@@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)c1ccnn1C 832284324 IMKAMYFLSBXZNE-DOMZBBRYSA-N 315.421 1.406 10 10 DDCE O=C(O)c1cnn2c(O)cc(CN3CC[C@@H]4CCCC[C@@H]43)nc12 846261286 PIVCSLKNMPJQIF-GWCFXTLKSA-N 316.361 1.898 10 10 DDCE COC(=O)CSCCC(=O)NCc1c(O)cccc1F 928712664 VOZYNUVLZBLMPJ-UHFFFAOYSA-N 301.339 1.444 10 10 DDCE O=C(NCc1ccc(N2CCSCC2)cc1)c1cccnn1 858590024 GVGWCVWUOJBNLN-UHFFFAOYSA-N 314.414 1.960 10 10 DDCE CNC[C@H](C)NC(=O)NCc1cc(Br)ccc1O 851680466 IPKWRRPWTZWNTF-QMMMGPOBSA-N 316.199 1.562 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@@H]1CCc2c[nH]nc2C1 921447134 YOOIJXUESVLJST-SNVBAGLBSA-N 304.325 1.611 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3[C@H]4COC[C@H]43)CC2)cc1 854198582 LXWROAAMJZJQAI-ZSHCYNCHSA-N 302.374 1.236 10 10 DDCE C[C@H](NC(=O)NCCCO[C@@H]1CCOC1)c1ccccc1O 868392334 YCMKCOGAZVVVAT-QWHCGFSZSA-N 308.378 1.948 10 10 DDCE Cc1cc(C)c([C@@H](C)NCC(C)(C)CS(N)(=O)=O)c(O)c1 866572321 NTTNKUZGJVVTOL-GFCCVEGCSA-N 314.451 1.974 10 10 DDCE O=C(O)[C@@H](C[C@@H]1CCCOC1)NCc1ccc2c(c1)CCO2 1119602178 KRANTNMWCLMYSY-DZGCQCFKSA-N 305.374 1.981 10 10 DDCE C[C@@H](CNC(=O)COc1ccc(N)cc1)CC1(C)OCCO1 1876429718 MFXWAWPDBVRMNQ-GFCCVEGCSA-N 308.378 1.553 10 10 DDCE COc1cnc(C(=O)Nc2c(Cl)ccc3nonc23)nc1 1128603299 GBEXMEBHTXYKGM-UHFFFAOYSA-N 305.681 1.927 10 10 DDCE CCOc1ccc(CNCC2(C(=O)O)CCOCC2)c(O)c1 1326222323 NQADMSBSRQSOLF-UHFFFAOYSA-N 309.362 1.762 10 10 DDCE COc1cc(S(=O)(=O)N(C)Cc2ccccc2O)sn1 717681420 IHAPIFLINSKBNE-UHFFFAOYSA-N 314.388 1.678 10 10 DDCE O=C(N[C@@H]1CCC[C@H]1N1CCC(O)CC1)c1cc(O)cs1 1347942035 FOIHNQPNYUPXCL-CHWSQXEVSA-N 310.419 1.561 10 10 DDCE CS(=O)(=O)c1ccccc1C(=O)NCc1ccc(O)cc1O 1469160767 SKXUSLLVLAGJLN-UHFFFAOYSA-N 321.354 1.431 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC2(c3nc[nH]n3)CCC2)cc1 1625525609 ABVMBURLZAWZQZ-UHFFFAOYSA-N 313.321 1.776 10 10 DDCE C[C@@H](Cn1cncn1)NC(=O)c1ccc(N=NC(N)=O)cc1 1627297114 YCGYZQVNSQIPEI-VIFPVBQESA-N 301.310 1.259 10 10 DDCE C[C@](O)(C(=O)NCc1c(O)cccc1O)c1ccc(F)cc1 1645362879 DKWNYKLIZBQLHT-MRXNPFEDSA-N 305.305 1.761 10 10 DDCE Cn1nnc(Br)c1C(=O)N1CC[C@@H](N=[N+]=[N-])C1 1912195309 DZRUGFKUOJZNIK-RXMQYKEDSA-N 300.120 1.102 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H](NCCCO)C2)cc1 1690302165 YTMMCWNEPYENLE-JOCQHMNTSA-N 319.365 1.082 10 10 DDCE Nc1ccc(-n2nnc(C(=O)Nc3ccc4c(c3)OCO4)n2)cc1 1857878730 KIIKOOPAYQEPMK-UHFFFAOYSA-N 324.300 1.226 10 10 DDCE CN(C(=O)CSCCS(C)(=O)=O)c1ccc(N)cc1 111004059 WKHWZSOMQBRFSU-UHFFFAOYSA-N 302.421 1.009 10 10 DDCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1nc(Br)cs1 1939398862 XZGQCOZRPJQWTO-YFKPBYRVSA-N 305.161 1.332 10 10 DDCE OC[C@H]1COC[C@@H]1NCc1cc(Br)ccc1O 1942672362 CKPUJEQGQRMGQJ-ONGXEEELSA-N 302.168 1.252 10 10 DDCE Cc1ncc(S(=O)(=O)NCCOc2ccc(N)cc2)s1 235970969 NDVVQLLVFNPOML-UHFFFAOYSA-N 313.404 1.391 10 10 DDCE COc1cc(Cl)cc(CN(C)CCN(C)C(C)=O)c1O 1970171088 ISNGKSKNGWVNHW-UHFFFAOYSA-N 300.786 1.964 10 10 DDCE Nc1ccc(O)c(CNS(=O)(=O)C[C@@H]2CC[C@@H](F)C2)c1 2150403659 MINNCSKISZZQIY-MWLCHTKSSA-N 302.371 1.532 10 10 DDCE CC1(C)[C@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1(F)F 2153678602 GSGDQLREQYWQGH-NSHDSACASA-N 304.362 1.980 10 10 DDCE O=S1(=O)CCC[C@H](NCc2cc(F)cc(F)c2O)CC1 708518040 YSOADWVGPGPXTC-NSHDSACASA-N 305.346 1.727 10 10 DDCE CCN1CC[C@H](NCc2c(O)cccc2Br)C1=O 708725167 FCAOZHVSXAHPCB-NSHDSACASA-N 313.195 1.865 10 10 DDCE CNCc1ccc(N(CCS(C)(=O)=O)C(C)C)c(F)c1 2170178124 RLPKLYIOAGCWRL-UHFFFAOYSA-N 302.415 1.805 10 10 DDCE N=c1[nH]cc(Br)c(=NCCc2ccc(N)cc2)[nH]1 2053704258 VRNUWSJMNNNZDK-UHFFFAOYSA-N 308.183 1.310 10 10 DDCE O=C1N[C@@H]2CN(c3ccc(CO)c(Br)c3)C[C@@H]2O1 2056811229 GILJDJYZTOOCQR-MNOVXSKESA-N 313.151 1.238 10 10 DDCE CC(C)=C(F)CNS(=O)(=O)CCOc1ccc(N)cc1 2197025660 NSABMCDVVQFVNQ-UHFFFAOYSA-N 302.371 1.830 10 10 DDCE Cc1cccc(CNS(=O)(=O)CCCNC(C)C)c1O 2204619835 ALOQTOHDXQMHAC-UHFFFAOYSA-N 300.424 1.508 10 10 DDCE CCCS(=O)(=O)CCN[C@@H](C)c1ccc(OC)cc1O 2204664560 NFJFPJXZJUFLQO-NSHDSACASA-N 301.408 1.876 10 10 DDCE COc1ccc(Br)c(CNC[C@H]2C[C@@H]2CO)c1O 2220462120 HDTLCBYAURRHMJ-RKDXNWHRSA-N 316.195 1.881 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1CCN2CCCC[C@@H]2C1 2307986940 OUYHSESPHLLYFQ-CQSZACIVSA-N 302.374 1.808 10 10 DDCE Cc1ccc(CN(C)[C@H]2CCNC2=O)c(O)c1Br 2327800323 IWYXAWCOITXIDO-JTQLQIEISA-N 313.195 1.783 10 10 DDCE O=C1c2ccccc2C(=O)c2c1cccc2-n1cc(CO)nn1 62248286 APCRHOAIHJVDEZ-UHFFFAOYSA-N 305.293 1.535 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCN(C4CC4)CC3)cc2N1 301698242 QYNUAJGDEVYAMV-UHFFFAOYSA-N 318.333 1.210 10 10 DDCE O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCC[C@@H]1O 172549261 IBOLJHQBVIYWET-CVEARBPZSA-N 303.406 1.999 10 10 DDCE COc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cnn1C 413534204 QXMRQGVOQCABKN-UHFFFAOYSA-N 316.361 1.534 10 10 DDCE COc1cc(/C=C2/SC(=S)NC2=O)cc2c1OCCO2 211369580 TXLFVWAQTWIRGW-UXBLZVDNSA-N 309.368 1.955 10 10 DDCE CC[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 129575461 HPWXJQLIOFVXJT-SECBINFHSA-N 307.306 1.541 10 10 DDCE Cc1cc(I)cc([C@H](N)C(=O)O)c1O 72197105 KAAKDTLRZSSFCZ-ZETCQYMHSA-N 307.087 1.390 10 10 DDCE C[C@@H]1CCC[C@@](O)(CNS(=O)(=O)Cc2ccc(N)cc2)C1 87045422 GNMRFVIECIRAMG-DOMZBBRYSA-N 312.435 1.629 10 10 DDCE COC[C@H]1CNCCN1c1c(Cl)cc(OC)cc1OC 2368113169 JNFKNGIFCSKYGX-SNVBAGLBSA-N 300.786 1.782 10 10 DDCE C[C@](N)(C(=O)O)c1cccc(I)c1O 238489690 VKJAOBYYUKQKGH-SECBINFHSA-N 307.087 1.255 10 10 DDCE COC(=O)[C@H](C1CC1)S(=O)(=O)N1CCC[C@H](N=[N+]=[N-])C1 2167086489 CJUBJHGEFKHHOZ-UWVGGRQHSA-N 302.356 1.043 10 10 DDCE COC[C@@H](O)CNCc1cc(C)cc(Br)c1O 801733073 RDABINFLUUMGQD-JTQLQIEISA-N 304.184 1.560 10 10 DDCE COc1cccc(CNC(=O)c2nnn(C(C)C)c2C)c1O 815834557 NZWUMFAYCLAIAY-UHFFFAOYSA-N 304.350 1.812 10 10 DDCE O=c1oc2ccc(Cl)cc2n(OCC[C@@H]2CCCCN2)c1=O 821297460 UGTBVJYHKFHZHS-NSHDSACASA-N 324.764 1.569 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](C(=O)O)O1 901852086 WWLOBSNAXZSGPW-UONOGXRCSA-N 307.346 1.763 10 10 DDCE COc1cc(Cl)cc(CN2CCO[C@H]([C@@H](C)O)C2)c1O 840979521 SULWZRZCUFBBAV-RNCFNFMXSA-N 301.770 1.636 10 10 DDCE C[C@H]1CCn2cc(C(=O)NCc3ccc(O)cc3O)nc2C1 910958305 YSIVOSRNXUNDJI-JTQLQIEISA-N 301.346 1.807 10 10 DDCE C[C@H](NS(=O)(=O)CC1CC1)c1ccc(N2CCOCC2)cc1 748054009 PHDKXKHUZINSBU-ZDUSSCGKSA-N 324.446 1.914 10 10 DDCE C[C@@H]1C[C@H](S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)CCO1 844783145 UMMSKZTYYFYHMG-PSASIEDQSA-N 315.347 1.400 10 10 DDCE CN(C)c1ccc(CNS(=O)(=O)[C@@H]2CCCNC2)cc1F 923601985 BPNIGUPAHWHNFD-GFCCVEGCSA-N 315.414 1.063 10 10 DDCE O=C1N[C@@]2(C(=O)NCc3c(O)cccc3F)C[C@H]3C[C@@H]1[C@H]2C3 928705058 CWXPKCFDJVMQNJ-KUGSPTLQSA-N 304.321 1.062 10 10 DDCE COC(=O)CC(C)(C)CNC(=O)/C=C/c1ccc(O)c(O)c1 927966203 JBNRKNOQPWJYEB-FNORWQNLSA-N 307.346 1.817 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](N)CCSC)C2)cc1 852843678 DUIDLBOIWZPYOB-DOMZBBRYSA-N 323.462 1.471 10 10 DDCE CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855232991 VLIOLCHIHSQUPC-STQMWFEESA-N 319.405 1.305 10 10 DDCE Cc1ccc(O)c([C@H](C)NC[C@]23COCCN2C(=O)OC3)c1 866521630 OEDAQZDMBXIPQJ-BLLLJJGKSA-N 306.362 1.572 10 10 DDCE C[C@H](NC(=O)NCCCN1C(=O)CCC1=O)c1ccccc1O 868221794 MGTXMPQTMFPNQF-NSHDSACASA-N 319.361 1.292 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2CCO)c1O 767605185 UXUHQBGZEHEMNW-CYBMUJFWSA-N 313.781 1.831 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)Cc1ccc(F)c(F)c1O 876736083 FQRCPFSWBJBLSF-SECBINFHSA-N 307.362 1.925 10 10 DDCE Cn1ccc(-c2cc(C(=O)N3Cc4cccc(O)c4C3)no2)n1 1152572334 AXHDCFRXYWWVHG-UHFFFAOYSA-N 310.313 1.937 10 10 DDCE COC1=C(C(=O)O)NC(=O)N[C@@H]1c1ccc(N2CCCC2)cc1 76256322 WIIKOQOBGKVKRV-GFCCVEGCSA-N 317.345 1.583 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCOC[C@@H]1C(F)(F)F 1320030105 CSYDABPMYJOUGB-DTRQGZQOSA-N 317.263 1.901 10 10 DDCE C[C@@H](N)[C@H]1CN(Cc2c(O)cccc2Br)CCO1 706806407 DFLTVFTXGPYOPV-NOZJJQNGSA-N 315.211 1.703 10 10 DDCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)CC2(CCOCC2)O1 1297400326 IQEOXGKZWPXHJZ-LBPRGKRZSA-N 321.373 1.437 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1ncnn1-c1ccccc1 1297280372 FSCUTYBMAWNFBW-UHFFFAOYSA-N 324.340 1.537 10 10 DDCE Cn1nc(-c2cccnc2)cc1C(=O)NCc1ccc(O)cc1O 1451759125 OQPGATVALMAAEX-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE COC(=O)[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1470435685 RSFDOFODNVYDMW-HOMQSWHASA-N 304.306 1.530 10 10 DDCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1C[C@H]1C(N)=O 1540464654 MPWDVIMMNAIWKK-CVEARBPZSA-N 315.417 1.757 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-n2ccnn2)cc1 1611027221 CIZMTZDIAHBXNB-UHFFFAOYSA-N 310.313 1.860 10 10 DDCE C[C@H](CNCCF)CNC(=O)c1ccc(N=NC(N)=O)cc1 1482174523 HCSDCUSYBAEFEF-SNVBAGLBSA-N 309.345 1.774 10 10 DDCE COCCN(C(=O)c1ccoc1CC(N)=O)c1ccccc1 1636719957 AMAQQTLUMRABJO-UHFFFAOYSA-N 302.330 1.601 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)[C@@H]2CCCO2)cc1C 1662157323 QHNWOSPJIGJWDW-BBRMVZONSA-N 306.406 1.777 10 10 DDCE COc1cc(CN2CC[C@@H](N3CCOCC3)C2)c(O)cc1C 160298085 RHEIIQQKKRMWAV-OAHLLOKOSA-N 306.406 1.616 10 10 DDCE COCC(=O)N[C@H]1CCCN(CCCOc2ccc(N)cc2)C1 586063421 LJRVLRLEXPUTCT-HNNXBMFYSA-N 321.421 1.265 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3C(C(N)=O)[C@@H]3C2)cc1Br 2136616042 YEWMHCGWGXUXEJ-WHGOUJPWSA-N 324.222 1.636 10 10 DDCE COC[C@@](C)(CO)CNCc1cc(Br)ccc1O 1926990260 QKIVIXNMAUWFOA-CYBMUJFWSA-N 318.211 1.889 10 10 DDCE Oc1cc(Br)ccc1CNC[C@@H]1COC[C@H]1O 1948504776 ORUZVWMSKWPOCU-BXKDBHETSA-N 302.168 1.252 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)c(Cl)c1 2144167071 NMMYYYMHKSPWJP-YUSALJHKSA-N 314.838 1.841 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H]3[C@H](CCS3(=O)=O)C2)c(Cl)c1 2145071940 IKBQMUTWXAMDAF-GLXFQSAKSA-N 314.838 1.983 10 10 DDCE Cn1nc(C(=O)NCc2ccc(N)cc2)cc1Br 2033080873 YBLQTVJEJCQFQM-UHFFFAOYSA-N 309.167 1.695 10 10 DDCE C[C@]1(Br)C[C@H]1C(=O)NCc1c(O)cc(O)cc1O 2065057461 SYRUAFULHKJJIE-UFBFGSQYSA-N 316.151 1.593 10 10 DDCE Nc1ccc(OCCN=c2cc(Br)cn[nH]2)cc1 2044044302 LHXNIHOXCMXFTD-UHFFFAOYSA-N 309.167 1.734 10 10 DDCE CN(CCOC(F)F)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 2202945557 LSKKPJNBTMPBAJ-SNVBAGLBSA-N 305.712 1.967 10 10 DDCE COc1ccc(Br)c(CN2C[C@H]3C[C@H]2[C@@H]3N)c1O 2220462751 QIRVLCCRHHNLTG-INNHCVQGSA-N 313.195 1.695 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2225801326 UVSANHLFWWWZMR-HTQZYQBOSA-N 304.763 1.583 10 10 DDCE CSc1ncc(CN[C@H](C)[C@@H]2CCS(=O)(=O)C2)s1 2257105105 WMMQFLIDVIZJQG-RKDXNWHRSA-N 306.478 1.778 10 10 DDCE COC(=O)N[C@@H](C)CNCc1c(O)cccc1Br 2261482805 JOXMHSQVZAQBPD-QMMMGPOBSA-N 317.183 1.989 10 10 DDCE CSc1ncc(CNC(=O)c2ccnc(NN)c2F)s1 2284715697 WYKMMVCKFDIDLR-UHFFFAOYSA-N 313.383 1.615 10 10 DDCE NCc1cc(F)c(N2C[C@H]3OCC[C@@]3(CO)C2)cc1Cl 2296390893 FMCQUQDJBDFRJL-KGLIPLIRSA-N 300.761 1.525 10 10 DDCE CO[C@H]1CC[C@@](NCc2cnc(SC)s2)(C(=O)O)C1 2350652838 OOEVIYYKZONZJM-UFBFGSQYSA-N 302.421 1.977 10 10 DDCE CC[C@@H](C)N/C=C1\C(=O)NC(=O)N(c2ccccc2OC)C1=O 103768084 FSULHFBFOYBDMK-OYVNLZQHSA-N 317.345 1.550 10 10 DDCE Cc1cc(O)cc(=O)n1[C@H](C)C(=O)N(C)Cc1ccccc1O 175853635 WEVSPLJOQAHXDL-GFCCVEGCSA-N 316.357 1.788 10 10 DDCE CS(=O)(=O)[C@@H](C(=O)N1CCC[C@@H](CN=[N+]=[N-])C1)C1CC1 2361143753 XYCADUCLCSLBKV-GXSJLCMTSA-N 300.384 1.359 10 10 DDCE Nc1ccc(Oc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 38056384 DJANBRRAMFKVPH-UHFFFAOYSA-N 309.303 1.617 10 10 DDCE O=c1cc(-c2cc(O)c(O)c(O)c2)oc2c(O)c(O)cc(O)c12 14437161 QTRGQLAKOVDWNM-UHFFFAOYSA-N 318.237 1.694 10 10 DDCE biogenic COc1cc(Cl)c(N2CCC[C@@H]2[C@@H](O)CO)c(OC)c1 2368279822 DEBGXMUIEKFSME-NEPJUHHUSA-N 301.770 1.679 10 10 DDCE CS(=O)(=O)[C@@H]1CCC[C@@H](OC(=O)Cc2ccc(N)cc2)C1 94643397 ZSMJRLFASXXJBO-ZIAGYGMSSA-N 311.403 1.710 10 10 DDCE O=C1N[C@H](c2cc(Cl)cc(Cl)c2O)N2CCOC[C@@H]12 93884595 LPXJREDBWDWJKI-ONGXEEELSA-N 303.145 1.528 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(OC)nn1 808094228 GTCHKKHZWCSUBW-UHFFFAOYSA-N 308.334 1.607 10 10 DDCE CC(C)N(Cc1cc(Br)ccc1O)C[C@@H](O)CO 817417906 SUZMZNHSCPYLJY-GFCCVEGCSA-N 318.211 1.718 10 10 DDCE COCc1n[nH]c(CNCc2cc(Cl)c(F)cc2O)n1 827006020 KBKJZDKEWHHEMH-UHFFFAOYSA-N 300.721 1.739 10 10 DDCE Cc1ccn([C@@H](C)CC(=O)NCCc2ccc(O)c(O)c2)n1 830532485 XHSRCVYXUHJEBB-LBPRGKRZSA-N 303.362 1.913 10 10 DDCE C[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C[C@H](C(=O)O)O1 901911213 LHASRSPPEMFEKN-WSXGPOFGSA-N 304.390 1.940 10 10 DDCE CCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(O)cc1O 910953416 BBIIDULWHRHFKA-LLVKDONJSA-N 310.375 1.026 10 10 DDCE CC(C)N1CC[C@H](NC(=O)NCc2c(O)cccc2F)C1=O 918831756 XFMHEBPTGRASDK-LBPRGKRZSA-N 309.341 1.340 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CN)C(F)(F)F 848595781 NWAYQUZRDYNINL-LBPRGKRZSA-N 318.343 1.750 10 10 DDCE CN(C)CC[C@H](NC(=O)c1cccc(O)c1O)c1cccnc1 928835054 VOEFGLBOLLTBAO-AWEZNQCLSA-N 315.373 1.916 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3C[C@H]4C=C[C@H]3O4)CC2)cc1 929250309 PQKBDALVSSLANF-IXDOHACOSA-N 314.385 1.687 10 10 DDCE COC(=O)N(C)CCN(C)C(=O)NCCc1ccc(N)cc1 851665554 VSUSTWQEFHQSDG-UHFFFAOYSA-N 308.382 1.151 10 10 DDCE CCOC(=O)COCCNC(=O)N[C@@H](C)c1ccccc1O 868666040 AQAVLIOPBCMSHV-NSHDSACASA-N 310.350 1.332 10 10 DDCE COc1ccc(O)c(CNC(=O)CCN(C)c2ccncc2)c1 779538408 WGGOLALBGFXKSX-UHFFFAOYSA-N 315.373 1.939 10 10 DDCE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1c(F)ccc(O)c1O 789986967 NTAIWFWNSDYEHG-QMMMGPOBSA-N 321.352 1.948 10 10 DDCE COC(=O)[C@]1(O)CCN(Cc2ccc(N3CCCCC3)cc2)C1 895707495 LSLREJFVQMVKLR-SFHVURJKSA-N 318.417 1.787 10 10 DDCE O=C(NCC(F)(F)CO)c1cc2cc(O)c(O)cc2s1 897413206 SFXYHODVUSKERK-UHFFFAOYSA-N 303.286 1.670 10 10 DDCE CN1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCC1=O 896497392 NCDDHVKPVVDNJS-SECBINFHSA-N 320.370 1.663 10 10 DDCE CN(Cc1cc(Cl)cc(Cl)c1O)C1CS(=O)(=O)C1 895400363 GFQDQTBRXUCXRU-UHFFFAOYSA-N 310.202 1.928 10 10 DDCE COC(=O)c1c(CNCc2cnn[nH]2)c2cc(F)ccc2n1C 895380529 RXFRXNYKTMTALD-UHFFFAOYSA-N 317.324 1.512 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@]1(C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043644 YHVLHYULPUHGES-GLKRBJQHSA-N 310.394 1.652 10 10 DDCE CNC[C@H]1CN(Cc2c(O)cccc2Br)CCO1 706806463 HVOWYSMUZLRYPP-JTQLQIEISA-N 315.211 1.575 10 10 DDCE O=C(c1cccc(O)c1O)N1CCCC[C@@H]1CCn1ccnn1 1347489169 ZVTJXTAURSKUNB-GFCCVEGCSA-N 316.361 1.774 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@H]1CC(c2ccccn2)=NO1 1445651676 SFYKFKHZKVXKNH-MRXNPFEDSA-N 311.341 1.939 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc([C@H](C)O)s1 1296247502 VEFZRQNLBNOULP-IUCAKERBSA-N 322.386 1.969 10 10 DDCE CCn1cccc1C(=O)N(CC(=O)O)Cc1ccccc1O 1526746716 ZSDOWIIAAJTWOQ-UHFFFAOYSA-N 302.330 1.941 10 10 DDCE CN(Cc1c(O)cccc1OC(F)(F)F)[C@@H]1COC[C@@H]1O 1615623107 QNYDZRPNIJUDAV-KOLCDFICSA-N 307.268 1.482 10 10 DDCE COc1cc(NC(=O)c2cc(O)cs2)c(C(N)=O)cc1OC 1625845710 YFPARIAEMKCVKS-UHFFFAOYSA-N 322.342 1.822 10 10 DDCE CN1CCN(C(=O)Cc2ccc(O)c(O)c2)Cc2cccnc21 1636404734 BIBYUEHNMLKZMK-UHFFFAOYSA-N 313.357 1.514 10 10 DDCE CC(C)(CN1CCOCC1)C(=O)NCc1c(O)cccc1O 1635851190 YSIPDARQDARTOA-UHFFFAOYSA-N 308.378 1.072 10 10 DDCE CCN1CCN(C(=O)Cc2ccc(O)c(O)c2)C(C)(C)C1=O 1639225017 ICARSELRUVGMPR-UHFFFAOYSA-N 306.362 1.110 10 10 DDCE C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@@H](C)[S@]1=O 1567596039 FTOGKODKYBGQDT-ONPAFVRTSA-N 322.390 1.831 10 10 DDCE CC(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)nc1 1638351897 HNGOTWVXZMRSMG-UHFFFAOYSA-N 301.302 1.381 10 10 DDCE Cn1nc2c(c1C(=O)NCc1c(O)cccc1O)CSCC2 1647290230 PRHARRZUDLNZHQ-UHFFFAOYSA-N 319.386 1.551 10 10 DDCE C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3c(O)cccc3O)CN2C1 1647291245 VEMHASHBVBECLD-JHJVBQTASA-N 304.390 1.834 10 10 DDCE NC(=O)c1ccc(C(=O)NCc2cc(Cl)ccc2O)cn1 1583816009 ADSQMJXVPZMBKU-UHFFFAOYSA-N 305.721 1.470 10 10 DDCE Cn1nnc(Br)c1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 1912203077 OGDVGHWHWAEXBK-LURJTMIESA-N 314.147 1.350 10 10 DDCE c1cc(N2CCOCC2)ccc1CN[C@H]1CCC2(C1)OCCO2 1662064990 YKXKKASNQOJRQF-INIZCTEOSA-N 318.417 1.908 10 10 DDCE CC(C)C(=O)N1CCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 157840418 JASVTIHJMLYQPC-ZDUSSCGKSA-N 320.389 1.404 10 10 DDCE CN(C)[C@@H]1COC[C@@H]1NCc1ccc(Br)cc1O 1921753180 JUDOXQREXOTNJZ-NWDGAFQWSA-N 315.211 1.573 10 10 DDCE CS[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)C1 235085485 SWTJFNDAGPCPNF-CHWSQXEVSA-N 300.449 1.972 10 10 DDCE CN(Cc1cc(Br)cc(F)c1O)C1[C@@H]2CNC[C@@H]12 2032585868 DIFSQRHQWKXNQR-NXEZZACHSA-N 315.186 1.943 10 10 DDCE O=S1(=O)CCCC[C@@H]1CNCc1ccc(F)c(F)c1O 703294636 JCFQYYHOMRYNTK-SNVBAGLBSA-N 305.346 1.727 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3C[C@@H]3[C@H]2CO)cc1Br 2078272615 FZHZQTKFYREDRA-MWODSPESSA-N 315.186 1.864 10 10 DDCE CC[C@@H](C(=O)O)N(C)C(=O)NCc1cnc(SC)s1 2269120424 ZXZMQCDXXSUGOU-QMMMGPOBSA-N 303.409 1.870 10 10 DDCE Nc1ccc(CCN2CCC(NC(=O)C(F)(F)F)CC2)cc1 2244252817 MAUWSMWUYLWGDI-UHFFFAOYSA-N 315.339 1.954 10 10 DDCE CC[C@@H](CNC)NCc1cc(Br)c(O)cc1O 2248028632 MJWIXLQZAYXTBV-VIFPVBQESA-N 303.200 1.948 10 10 DDCE Cc1ccc(CN[C@H](CO)CCCO)c(O)c1Br 2327621035 JEFNWFDPYPOWAF-NSHDSACASA-N 318.211 1.686 10 10 DDCE CO[C@H]1CN(Cc2ccc(C)c(Br)c2O)C[C@H]1N 2327796638 KLIWEITZWUQLLF-MNOVXSKESA-N 315.211 1.621 10 10 DDCE Nc1ccc(N(C(=O)C(=O)Nc2nc[nH]n2)c2ccccc2)cc1 170388840 JPQOJAREUWZRMR-UHFFFAOYSA-N 322.328 1.690 10 10 DDCE CS(=O)(=O)CCCOc1ccc(N2CCC(N)CC2)cc1 63017729 KEKRTHFMMZPUQG-UHFFFAOYSA-N 312.435 1.428 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@](C)(O)C2)c([N+](=O)[O-])c1 301498991 VXUBYDPWQYHLMU-DRDHIDPGSA-N 306.318 1.742 10 10 DDCE COC(=O)[C@H]1CCCN1C(=O)[C@H](C)Cc1ccc(O)c(O)c1 170045739 WMUMVHBFANZXON-ZYHUDNBSSA-N 307.346 1.440 10 10 DDCE Cc1cc(O)c(CN2C[C@@H](C(N)=O)O[C@H](C)C2)cc1C(C)C 120296904 FMVYMHKFVZGESQ-WBMJQRKESA-N 306.406 1.899 10 10 DDCE CN(C)c1ccc(CNC(=O)NCCCN2CCOC2=O)cc1 77413878 WJXGUCDCKBHQCN-UHFFFAOYSA-N 320.393 1.394 10 10 DDCE CC(C)N(CC(N)=O)c1ccc(CN)cc1Br 212916093 NCLAVSAJIIOEQL-UHFFFAOYSA-N 300.200 1.608 10 10 DDCE COc1cc(Cl)c(N2CC[C@H](OCCN)C2)c(OC)c1 2368105621 LMYLAJCZQNFLCY-JTQLQIEISA-N 300.786 1.911 10 10 DDCE COc1cc(O)c(CN2CCO[C@@]3(CCOC3)C2)cc1OC 274505072 UKUOOUWRSLCDAM-INIZCTEOSA-N 309.362 1.401 10 10 DDCE CN(CC1CC1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 283926919 HGODQOWZPUMAHT-UHFFFAOYSA-N 315.417 1.771 10 10 DDCE Cc1cccc(CNC[C@@H]2CCCCN2S(C)(=O)=O)c1O 809710079 MRJMDCGUAXMMGH-AWEZNQCLSA-N 312.435 1.604 10 10 DDCE COc1ccc(N2CCN(CCNc3cnccn3)CC2)cc1 299305857 DNSCSLDLCFLISG-UHFFFAOYSA-N 313.405 1.719 10 10 DDCE CCOc1ccc(CN2CC[C@H](N(C)C(=O)N(C)C)C2)c(O)c1 827544899 NHTQQKRJBMPFBD-AWEZNQCLSA-N 321.421 1.979 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)/C=C/Cn1cncn1 901054377 WWTAHGDJIJLHSH-VMPITWQZSA-N 300.362 1.979 10 10 DDCE C[C@@H]1CS(=O)(=O)CCN1C/C=C\c1ccc(N(C)C)cc1 835026634 WRIZXZCVPLWLBZ-ZRUQZJFASA-N 308.447 1.885 10 10 DDCE COc1ccc(O)c(CNC(=O)NCCCN2CCCC2=O)c1 734064004 SJKXHXZXXVAPNC-UHFFFAOYSA-N 321.377 1.213 10 10 DDCE CCn1nc(C)cc1C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 832280245 OEUKXBOUUYVQDX-HNNXBMFYSA-N 315.421 1.707 10 10 DDCE CC(C)O[C@]1(CNC(=O)NCc2ccccc2O)CCOC1 915526130 UBVNDBNXIXWHTF-INIZCTEOSA-N 308.378 1.776 10 10 DDCE COc1ccc(CNC(=O)Cc2ccnc(OC)c2)c(O)c1 846949950 KYHPQHKUMHAXFH-UHFFFAOYSA-N 302.330 1.663 10 10 DDCE O=C(O)CN1C(=O)/C(=C\c2cnn3c2CCC3)SC1=S 849176350 LWZXZOQBLPJYIE-RUDMXATFSA-N 309.372 1.115 10 10 DDCE COC(=O)/C(C)=C\CNC(=O)NCc1ccc(OC)cc1O 925014403 FVLYTYFEOTUYPQ-POHAHGRESA-N 308.334 1.319 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H](O)C3CCC3)C2)cc1 855223120 FBVCDINAKFOEJO-XJKSGUPXSA-N 304.390 1.551 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3[C@H]4COC[C@H]43)C2)cc1 854033442 HSUBDIBNVMICDZ-DANNLKNASA-N 317.389 1.218 10 10 DDCE CC(C)(O)CN1CC[C@H](NCc2ccc3c(c2)CCCO3)C1 922299188 MYKPLPMOOZYIEI-INIZCTEOSA-N 304.434 1.946 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCN(OC)CC2)c([N+](=O)[O-])c1 853671567 YUNMXHIAFCLLQM-XQRVVYSFSA-N 321.333 1.464 10 10 DDCE COc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)nc1 752837476 ANZZCYCNPHMKEW-UHFFFAOYSA-N 303.318 1.866 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)Cc1c(O)cccc1Cl 697034763 AGKDZXVGHAPKOW-YPMHNXCESA-N 319.810 1.289 10 10 DDCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@@H]2CO)cc1Br 698125443 DQDQWOXKESADSJ-GDPRMGEGSA-N 316.195 1.434 10 10 DDCE CNc1cnc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)cn1 860241537 KMWYDWPHFGCIBZ-VIFPVBQESA-N 302.334 1.724 10 10 DDCE CC(C)[C@H](NC=O)C(=O)NCc1ccc2cccnc2c1O 862025871 SAGVLFGIGCAUGW-ZDUSSCGKSA-N 301.346 1.327 10 10 DDCE Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC23CCOCC3)cc1 868300918 SNTNAVFDDYHXTA-GFCCVEGCSA-N 317.389 1.530 10 10 DDCE C[C@@H](O)[C@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F 865739978 YRCOOIOPORFBCY-NOZJJQNGSA-N 306.328 1.603 10 10 DDCE CCOC(=O)[C@@H](CC(=O)N1Cc2cccc(O)c2C1)C(C)=O 871205832 ZRVVTVMLGJFJKU-LBPRGKRZSA-N 305.330 1.393 10 10 DDCE Cc1ccc(C(=O)OCC(=O)OCC(F)(F)F)c(O)c1O 788927853 WSTQTTPKHFCOCR-UHFFFAOYSA-N 308.208 1.669 10 10 DDCE C[C@H]1[C@@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)CC[S@@]1=O 1156039986 MMHZQIYLTOIRJR-BNMUBRSASA-N 322.390 1.831 10 10 DDCE CON(CCC(=O)NCCCN=[N+]=[N-])C(=O)OC(C)(C)C 1963700419 YRGCKPIVJDQNDQ-UHFFFAOYSA-N 301.347 1.992 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccnc(-n2ccnc2)c1 1176747874 DKLWZISXKQLLNJ-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE O=S(=O)(NCCN[C@H]1CCc2cccc(O)c21)C(F)F 1964514119 KNSKCKPRAYYMHX-VIFPVBQESA-N 306.334 1.111 10 10 DDCE Cc1ncccc1NC(=O)[C@H](C)NC(=O)c1cccc(O)c1O 1468738380 MHEZLNHJCHZLTJ-JTQLQIEISA-N 315.329 1.558 10 10 DDCE CN(C)Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)cn1 1545637700 YXYGWMRNIYWZSN-UHFFFAOYSA-N 301.346 1.484 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)CC2(C)CC2)cc1C 1497019115 FNSPHZRTFLXCJZ-OAHLLOKOSA-N 320.433 1.761 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1ncc2c(F)cccn12 1636022704 PKBTVDRTVXXRGM-UHFFFAOYSA-N 315.304 1.857 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCN(c2ccccn2)C1 1636531194 PQWDQPHKDYVWNJ-CYBMUJFWSA-N 313.357 1.430 10 10 DDCE CCC(C)(C)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1640469926 BSUDBEZSKAXHHF-UHFFFAOYSA-N 306.406 1.973 10 10 DDCE CN(CC(=O)NCc1cc(O)ccc1O)c1ccc(Cl)cn1 1643882399 VEISFWPYYARPGO-UHFFFAOYSA-N 321.764 1.899 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2ccccc2-n2cnnn2)c1 1584983102 CSNDIEIGVUMWQA-UHFFFAOYSA-N 309.329 1.606 10 10 DDCE CCCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[C@@H](CN=[N+]=[N-])C1 1912203651 FQVMWYYFOUPJDX-SDDRHHMPSA-N 302.400 1.211 10 10 DDCE COc1ccccc1[C@@H](O)C(=O)NCc1c(O)cccc1O 1597574152 ISMAAHWNCKWPDE-OAHLLOKOSA-N 303.314 1.456 10 10 DDCE COc1ccccc1/C=C1\SC(=S)N(NC(C)=O)C1=O 5726201 KUQKCFMOHXDZFR-XFFZJAGNSA-N 308.384 1.948 10 10 DDCE C[C@H](O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1866099118 ZQSPJYUWLIGQCP-YOEHRIQHSA-N 319.449 1.777 10 10 DDCE CC1(CNCc2cccc(F)c2O)CCS(=O)(=O)CC1 1967868868 HMGQULIIULYWCO-UHFFFAOYSA-N 301.383 1.836 10 10 DDCE NCc1ccc(N2CC[C@@H](O)[C@@H](F)C2)cc1Br 1941017799 WMUMEJOJCRJLLT-NWDGAFQWSA-N 303.175 1.817 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl 2151275793 QFPAAEUGUDPWIQ-GPCCPHFNSA-N 314.838 1.983 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](N2CCC[C@@H](N=[N+]=[N-])CC2)C1 2155558847 TVFXBYWCQLBTSA-VXGBXAGGSA-N 301.416 1.575 10 10 DDCE CN(C)[C@@H]1CN(c2ccc(CO)c(Br)c2)C[C@@H]1O 2029434136 JJHJLUXCECAOJA-OLZOCXBDSA-N 315.211 1.053 10 10 DDCE C[C@H]1N[C@H](c2cc(Br)cc(Cl)c2O)NC1=O 309775578 LOYLVVGEGLSLKF-MOFOKWOHSA-N 305.559 1.915 10 10 DDCE CNCc1ccc(N2C[C@@H](O)C[C@@H]2CO)c(Br)c1 704725972 DASYLOYKLFDTGW-MNOVXSKESA-N 315.211 1.100 10 10 DDCE C[C@H](N)c1ccc(N2CC(CC(N)=O)C2)cc1Br 723172949 BYYRJXXKUSMBTH-QMMMGPOBSA-N 312.211 1.780 10 10 DDCE CCCN(C(=O)c1cnn2c(O)cc(C)nc12)[C@H]1CCN(C)C1 2063992728 RSGLVGNMXWJEEW-LBPRGKRZSA-N 317.393 1.300 10 10 DDCE COc1cc(Cl)cc(CN2C[C@@H](F)[C@@H](C(=O)O)C2)c1O 2177159338 LQJUYRSZWVBJIM-VHSXEESVSA-N 303.717 1.909 10 10 DDCE COc1cccc(O)c1[C@@H](C)n1ncc(S(C)(=O)=O)c1O 2070259936 PBLYXMBGCLEOFC-MRVPVSSYSA-N 312.347 1.316 10 10 DDCE COc1cccc(O)c1[C@H](C)n1cc(C(=O)NC2CC2)c(O)n1 2070651757 KJOBVADVXSYXNW-VIFPVBQESA-N 317.345 1.804 10 10 DDCE C[C@@H](NS(=O)(=O)c1ccc(CO)s1)c1ccccc1O 2192628571 PDRORHHSDIFPAP-SECBINFHSA-N 313.400 1.986 10 10 DDCE NCc1cc(F)c(N2C[C@@H](F)[C@@H](CO)C2)cc1Br 2057002886 QSANRGRVHIGSAN-LDYMZIIASA-N 321.165 1.814 10 10 DDCE COCCNC[C@H](C)NCc1cc(Br)ccc1O 2256019094 WBEJKANDMMLARK-JTQLQIEISA-N 317.227 1.869 10 10 DDCE COc1cc(C=C2SC(=S)NC2=O)ccc1OCC(N)=O 2297576271 CNXJLIFAKPFEQS-UHFFFAOYSA-N 324.383 1.048 10 10 DDCE COCCn1[nH]c(Br)nc1=Nc1ccc(N)cc1 2328495691 GZCJTIRNXGODON-UHFFFAOYSA-N 312.171 1.435 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCCC[C@H]2N)s1 2349503687 YYSMBAJEASMDPN-BXKDBHETSA-N 301.437 1.679 10 10 DDCE CN1CCCc2cc(CN[C@@]3(C)CCS(=O)(=O)C3)ccc21 50286548 BOWQUECQEFTNCJ-INIZCTEOSA-N 308.447 1.736 10 10 DDCE Cc1nnc2ccc(N3CCN(Cc4ccccc4O)CC3)nn12 179575824 RVCYETZLAAARBP-UHFFFAOYSA-N 324.388 1.461 10 10 DDCE COc1cc(I)cc([C@H](N)CCO)c1O 44234496 CAEFERIEBOMCFA-MRVPVSSYSA-N 323.130 1.388 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCN3CCC2CC3)c1O 377695881 MYEQDMDUMRSQPA-UHFFFAOYSA-N 307.350 1.589 10 10 DDCE CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1COC(=O)N1 283021401 QIRMUYFJSROIDG-HNNXBMFYSA-N 317.389 1.744 10 10 DDCE CC(=O)C(=O)COC(=O)c1n[nH]c(C(C)C)c1Br 808528043 VKXIEPWKIDNYMC-UHFFFAOYSA-N 317.139 1.611 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 808493490 HJXAMFKTAYVICV-NSHDSACASA-N 315.366 1.627 10 10 DDCE O=C(O)CN1C(=O)/C(=C/c2cnn3ccccc23)SC1=S 729674772 LVHJMRZNVSZDGT-YHYXMXQVSA-N 319.367 1.620 10 10 DDCE CCNC(=O)C1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1 839139097 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DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](N)C(F)(F)F)C2)cc1 852844660 YMAYVPWJFNEOOC-SKDRFNHKSA-N 317.311 1.280 10 10 DDCE CN(CCc1cn(C)nn1)Cc1ccc(N2CCOCC2)cc1 859059366 DWIBJBMZQOOHAQ-UHFFFAOYSA-N 315.421 1.326 10 10 DDCE CCO[C@@H](C(=O)NCCc1ccc(O)c(O)c1)[C@@H]1CCOC1 866756970 FDTQURIODCJYDZ-IUODEOHRSA-N 309.362 1.198 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1cc(Cl)ccc1O 697036751 LSNMEHWNZZHXIB-WCQYABFASA-N 319.810 1.289 10 10 DDCE CC(=O)N1CCC[C@H]1C(=O)NCc1ccc2cccnc2c1O 868938210 RWAGOEZSXOUDFD-AWEZNQCLSA-N 313.357 1.568 10 10 DDCE C[C@@H]1COCC[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 767688395 XDJIFTDTRZCMAU-PBHICJAKSA-N 318.417 1.812 10 10 DDCE O=C(c1cc(O)cs1)N1CCN(CCc2cnccn2)CC1 871218587 YGXPQHYZJAGXGO-UHFFFAOYSA-N 318.402 1.244 10 10 DDCE C[C@H]1CCCN1S(=O)(=O)NCc1ccc(N(C)C)c(F)c1 770244832 LQTYWRDNVUUHJD-NSHDSACASA-N 315.414 1.710 10 10 DDCE COc1cccc(CNCCN2C[C@@H]3CCCCN3C2=O)c1O 895343376 QQKDVUYJQIABJM-AWEZNQCLSA-N 319.405 1.781 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(O)c(O)c1 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UGKZWFBAFXZZJC-UHFFFAOYSA-N 321.341 1.569 10 10 DDCE CSc1ncc(CNC(=O)NC[C@H]2C[C@@H]2C(=O)O)s1 2269122839 DJLDRNJEWOPSRH-SVRRBLITSA-N 301.393 1.385 10 10 DDCE CSc1ncc(CNC(=O)[C@@]2(C)CNCC2(F)F)s1 2278234802 MNUOTKBMJOEZQZ-SNVBAGLBSA-N 307.391 1.726 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@H]2CC[C@H]2O)s1 2256963378 DDJZGMZHNLWODF-VXNVDRBHSA-N 308.450 1.055 10 10 DDCE Oc1cc(Br)ccc1CN1CCOC2(CNC2)C1 2260140126 SGQCTKGAQZZFNR-UHFFFAOYSA-N 313.195 1.329 10 10 DDCE COC(=O)N[C@H](C)CNCc1cc(Br)ccc1O 2261517243 ICENPRFJFKAVHD-MRVPVSSYSA-N 317.183 1.989 10 10 DDCE CCS(=O)(=O)N(C)NCc1cc(Cl)cc(Cl)c1O 2317490950 RIRGALRRYYMYFN-UHFFFAOYSA-N 313.206 1.985 10 10 DDCE Cc1ccc(CNC[C@@](C)(O)C(=O)O)c(O)c1Br 2327800400 KAGLCYYOEJMGOE-GFCCVEGCSA-N 318.167 1.388 10 10 DDCE O=C(CCNCc1cccc(Br)c1O)NC1CC1 112017686 SMFPKFKSJDZLKR-UHFFFAOYSA-N 313.195 1.913 10 10 DDCE COCC[C@@H](C)NC(=O)N1CCN(c2ccc(OC)cc2)CC1 171208250 CCNFDKTZIFLVPR-CQSZACIVSA-N 321.421 1.952 10 10 DDCE COc1ccc2c(c1)NC1(CCNCC1)CN2C1CCNCC1 75280992 ZETXBMFQWPUALF-UHFFFAOYSA-N 316.449 1.801 10 10 DDCE Cc1cc(C(=O)NC[C@@H]2CNC[C@@H]2O)c(C)n1-c1ccccc1 262146301 HMCAVEQSSBCKGS-YOEHRIQHSA-N 313.401 1.404 10 10 DDCE CN(CCF)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 297432796 RCSYLCABIFUELA-UHFFFAOYSA-N 313.348 1.773 10 10 DDCE COCCCOc1ccccc1NC[C@H](O)CN1CCOCC1 819420799 BOVJSZBFYHIPMX-HNNXBMFYSA-N 324.421 1.207 10 10 DDCE COCC[C@@H](COC)NCc1ccc([N+](=O)[O-])c(OC)c1O 811516958 DGTDJNJAGHUJSB-NSHDSACASA-N 314.338 1.450 10 10 DDCE CCOc1cccc([C@H](NC(=N)N)C(F)(F)C(=O)OC)c1O 575247693 UDWVEZDMPDEDDO-JTQLQIEISA-N 317.292 1.123 10 10 DDCE COc1cc(O)c(CN[C@H]2C[C@H](C)n3ncnc32)cc1OC 826889012 PCMUCIWYYFNQJY-ONGXEEELSA-N 304.350 1.797 10 10 DDCE COC(=O)CN(C/C=C\c1ccc(N(C)C)cc1)CC(=O)OC 835025739 MGZIEHMSMDDDCM-WAYWQWQTSA-N 320.389 1.414 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@]2(O)CCOC2)c1 845451898 AAXZOYJDFVKLIZ-BZNIZROVSA-N 324.377 1.303 10 10 DDCE COc1ccc(CNC(=O)N[C@H]2CNCCC2(F)F)c(O)c1 842002459 LBGMKNDKOJYNNG-LBPRGKRZSA-N 315.320 1.197 10 10 DDCE CCN1CCC[C@@H](NC(=O)NCc2c(O)cccc2F)C1=O 925989292 RURGGJJFMCXMFR-GFCCVEGCSA-N 309.341 1.341 10 10 DDCE C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@](C)(C(F)F)O1 856482476 LXBPZNHHPIWAJH-RTHLEPHNSA-N 301.289 1.983 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@](C)(O)C3CCC3)C2)cc1 855226932 RCTDIWSUGUBHKC-KBXCAEBGSA-N 318.417 1.941 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@@H](O)C23CCC3)cc1 853244161 FQMPDBURFWAHPT-HUUCEWRRSA-N 303.406 1.855 10 10 DDCE CN(Cc1ccc(N(C)C)c(F)c1)C[C@@H]1CCS(=O)(=O)C1 769468226 DKOTZVSMILGKQT-ZDUSSCGKSA-N 314.426 1.758 10 10 DDCE O=C1OC[C@H]2CN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@@H]12 899151564 ZEMQYJUDYLYPDU-RKDXNWHRSA-N 319.338 1.558 10 10 DDCE COc1ccc(CNC(=O)COc2ccc(O)cc2)c(O)c1 794386815 AHSGQGBZGOQJBR-UHFFFAOYSA-N 303.314 1.802 10 10 DDCE COc1ccc(Br)c(CNCCN2CCC2)c1O 1964048923 QDWUDZGRFWVZAL-UHFFFAOYSA-N 315.211 1.959 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)[C@]2(F)CCOC2)cc1C 1321628193 SXWKEVHDKUPOKP-DYVFJYSZSA-N 324.396 1.727 10 10 DDCE C[C@@H]1NC(=O)CC[C@H]1NCc1c(O)cccc1Br 706863869 VHOIUUOMXYURGT-GZMMTYOYSA-N 313.195 1.911 10 10 DDCE CCO[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1331946371 HHSDRTMARBWDDM-ZDUSSCGKSA-N 318.373 1.262 10 10 DDCE C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@H](C)[C@H]1C 1332073649 IJLYACHJOUJSFJ-GRYCIOLGSA-N 302.374 1.737 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)[C@@H](C)NC(C)=O)cc1C 1274665948 YHOUCXHJSJSOGI-CHWSQXEVSA-N 321.421 1.123 10 10 DDCE CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2O)o1 1454822169 XTAZWXUMIDLSPX-VIFPVBQESA-N 324.358 1.384 10 10 DDCE O=C(NCc1cccc(Cl)c1O)c1cc2n(n1)CCC[C@@H]2O 1457035641 JFTHRUAPFPIJRB-ZDUSSCGKSA-N 321.764 1.999 10 10 DDCE CCN1CC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1603555345 PIZOLRJZKJCSNK-IAGOWNOFSA-N 318.465 1.566 10 10 DDCE COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)Cc1ccc(O)c(O)c1 1637347798 JYQKGMIQLWAQJM-PXAZEXFGSA-N 321.373 1.878 10 10 DDCE CN1C(=O)[C@H](NC(=O)c2cccc(O)c2O)Cc2ccccc21 1640270825 CIUUMAAAKIEEAP-GFCCVEGCSA-N 312.325 1.415 10 10 DDCE COC(=O)[C@]1(NC(=O)Cc2ccc(O)c(O)c2)CC[C@H](C)CC1 1640114633 ZGKYBILBRBCPGU-QQVUYCAZSA-N 321.373 1.878 10 10 DDCE CNC(=O)c1cccc(N(C)C(=O)c2cccc(O)c2O)c1 1645009667 ALZHYCIDBIJARO-UHFFFAOYSA-N 300.314 1.734 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1 1912163232 GXYZOASMRKTIEM-UWVGGRQHSA-N 318.424 1.066 10 10 DDCE [N-]=[N+]=NC1CN(S(=O)(=O)CCCOCc2ccccc2)C1 1912184539 FXEDYIAWPOQAJZ-UHFFFAOYSA-N 310.379 1.918 10 10 DDCE COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] 5841546 XZCRMPBJPARSIA-DHZHZOJOSA-N 302.286 1.897 10 10 DDCE CCCN[C@H](C)c1ccc2c(c1)CCN2CCS(N)(=O)=O 162194789 JQJRMMQKQBFKOK-GFCCVEGCSA-N 311.451 1.398 10 10 DDCE CN(C)C(=O)N[C@H]1CCCN(CCCOc2ccc(N)cc2)C1 586070573 NBQILXTUBPVKIP-HNNXBMFYSA-N 320.437 1.773 10 10 DDCE CCCN(CCC(=O)O)C(=O)CCNCc1cc(C)ccc1O 1857864409 MUWOVMMOKGMGSN-UHFFFAOYSA-N 322.405 1.894 10 10 DDCE NCc1ccc(N2CCC[C@H]3C(=O)NC[C@@H]32)cc1Br 228157231 OPTVXUSTZOFJKS-YPMHNXCESA-N 324.222 1.623 10 10 DDCE CSC[C@H](C)NS(=O)(=O)CCOc1ccc(N)cc1 229345627 SVLXTLMVVMEBTG-JTQLQIEISA-N 304.437 1.319 10 10 DDCE CC(C)(C)OC(=O)N1CC(NCCc2ccc(O)c(O)c2)C1 1929417284 XSNOOUGTQFALIK-UHFFFAOYSA-N 308.378 1.849 10 10 DDCE C[C@H](N)c1ccc(N2CCCS(=O)(=O)CC2)c(Cl)c1 235506325 PSYVFHLPRJMMPS-JTQLQIEISA-N 302.827 1.985 10 10 DDCE Cn1cc(C(=O)NCCN=[N+]=[N-])nc1CNC(=O)OC(C)(C)C 1985102285 DYBZQQQJTQRSDD-UHFFFAOYSA-N 323.357 1.485 10 10 DDCE Cc1ccc(O)c([C@@H](C)N(C)CCN(C)S(C)(=O)=O)c1 2146943662 NWGCNFMUHVFKNI-GFCCVEGCSA-N 300.424 1.585 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H](CO)CC(F)(F)F)cc1 717708472 MDPPSUPSAOIFFP-SNVBAGLBSA-N 312.313 1.002 10 10 DDCE C[C@@H](c1ccc(F)cc1O)n1ncc(S(C)(=O)=O)c1O 2070253295 SKRRELHZWVWTGZ-ZETCQYMHSA-N 300.311 1.446 10 10 DDCE N[C@]12C[C@H]1CN(Cc1cc(Br)cc(F)c1O)C2 1236031585 XMCMSVURTIPKHN-UFBFGSQYSA-N 301.159 1.827 10 10 DDCE CC1(C)CN(c2cc(Cl)c(CN)cc2F)CCS1(=O)=O 2177382100 VXVANVVONNNKHD-UHFFFAOYSA-N 320.817 1.951 10 10 DDCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 2197931314 NCZWDSUXMWDVFA-NXEZZACHSA-N 301.372 1.048 10 10 DDCE Oc1c(Br)cccc1CNCC[C@H]1COC[C@H]1O 2048704055 CKWMIIXSAZMKNQ-CMPLNLGQSA-N 316.195 1.642 10 10 DDCE CN(C)c1ccc([C@H](N)c2nn(C)nc2Br)cc1 2048776546 AKASFKXNIVIIJF-JTQLQIEISA-N 310.199 1.692 10 10 DDCE CN1CCc2cc(CNCCS(=O)(=O)C(F)F)ccc21 2232498134 FMYVXKGHSHODOD-UHFFFAOYSA-N 304.362 1.406 10 10 DDCE COc1ccc(CNCCCS(=O)(=O)C(F)F)c(O)c1 2237643901 MHIBVCHKXWDXSQ-UHFFFAOYSA-N 309.334 1.518 10 10 DDCE CSc1ncc(CN[C@@H]2CCS(=O)(=O)[C@@H](C)C2)s1 2257105795 RMKQUZBRYCFDOM-DTWKUNHWSA-N 306.478 1.920 10 10 DDCE CCc1nc(C(=O)O)cc(=NCc2cnc(SC)s2)[nH]1 2284505061 RQHSEJGDIPLSQD-UHFFFAOYSA-N 310.404 1.950 10 10 DDCE C[C@H](O)[C@H](C(=O)O)N1C(=O)C(=Cc2ccc[nH]2)SC1=S 2323823384 BNGIIMOYESAZRE-IMTBSYHQSA-N 312.372 1.050 10 10 DDCE CSc1cc(N(C)[C@H]2CCS(=O)(=O)C2)ccc1CN 2353855153 GKQJUNKNUWSYPG-LBPRGKRZSA-N 300.449 1.491 10 10 DDCE CCCN(CCO)c1c(F)cc(CNCCOC)cc1F 62736930 QKBKJEMROWLKNI-UHFFFAOYSA-N 302.365 1.910 10 10 DDCE CC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733459 RQEDVRMKWJZXQD-QGZVFWFLSA-N 303.406 1.188 10 10 DDCE CC[C@@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)CCO1 70490634 BTYRSFCTYAHBDE-CYBMUJFWSA-N 314.407 1.088 10 10 DDCE COc1ccc(O)c([C@H](C)NC[C@H](O)CN2CCCC2=O)c1 182391158 AHHOFCZNCPVKMC-RYUDHWBXSA-N 308.378 1.035 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@H](S(=O)(=O)C(F)F)C2)cc1 2368588813 NFLFIMPTGNGLMP-SKDRFNHKSA-N 304.362 1.922 10 10 DDCE Nc1ccc(CNS(=O)(=O)c2c[nH]c3ncccc23)cc1 40504002 NUEJLSDGJYSRBT-UHFFFAOYSA-N 302.359 1.624 10 10 DDCE CC(C)Oc1ccc(N(C)CC(=O)NCCCN(C)C)cc1 193583498 RLDPHXBZSBIODQ-UHFFFAOYSA-N 307.438 1.978 10 10 DDCE COC(=O)/C=C/c1ccc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)c([N+](=O)[O-])c1 366158681 AUNSRCASKZKHKP-KSBOLXCFSA-N 318.329 1.456 10 10 DDCE COc1nnc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 282904662 UOAAHEMFYFOGKY-SSDOTTSWSA-N 324.362 1.711 10 10 DDCE COCCN(C/C=C/c1ccc(N(C)C)cc1)CC(=O)OC 835030680 YKAKTGBUDMNVJX-AATRIKPKSA-N 306.406 1.887 10 10 DDCE CCO[C@@H]1[C@@H](C)[C@H]1C(=O)N(CC(=O)O)Cc1ccccc1O 911487189 BWUCJDWGNBMVSO-COLVAYQJSA-N 307.346 1.476 10 10 DDCE COc1ccc(O)c(CN2CCOC[C@H]2c2ccnn2C)c1 846115001 HPBKQZGPHPNMRE-HNNXBMFYSA-N 303.362 1.708 10 10 DDCE CN(C)c1ccc(CNC(=O)CN(C2CC2)[C@@H]2CCNC2)cc1 844221878 XJEBNNUSBQLONC-QGZVFWFLSA-N 316.449 1.195 10 10 DDCE COc1cc(N2CCn3nncc3C2)c([N+](=O)[O-])cc1OC 848747128 BMRDVPDZMDZZIQ-UHFFFAOYSA-N 305.294 1.224 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCCN(C)OC)C2)cc1 854296124 HARWKDXJFNFCKX-CYBMUJFWSA-N 322.409 1.066 10 10 DDCE O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccccc2O)c1 751992358 JYFXXTXNZACOGR-UHFFFAOYSA-N 322.342 1.920 10 10 DDCE C[C@H]1CC[C@@H](NCc2cc3c(cc2O)OCO3)CS1(=O)=O 850368035 HRIXLNMDMGKJQU-GXSJLCMTSA-N 313.375 1.176 10 10 DDCE CCN1OC[C@H](N2CCCN(c3ccc(OC)cc3)CC2)C1=O 851733227 ODPIWUGTZRONOB-INIZCTEOSA-N 319.405 1.370 10 10 DDCE COCCOCCN(CCO)Cc1c(O)cccc1Cl 862468319 HBBGOZOTHWIJMF-UHFFFAOYSA-N 303.786 1.503 10 10 DDCE C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)[C@@H](C)O1 864984015 CSJAXZHPLNOPAU-CKEIUWERSA-N 318.417 1.953 10 10 DDCE COC[C@@H]1C[C@@H](O)CN1Cc1cc(F)c(N(C)C)cc1F 862402014 WSMJWNUKZQCBIO-NWDGAFQWSA-N 300.349 1.612 10 10 DDCE CS(=O)(=O)C[C@H]1CCN(Cc2ccc(F)c(F)c2O)C1 877545724 CXNFBCUMNNYBHG-VIFPVBQESA-N 305.346 1.537 10 10 DDCE C[C@@H](NC[C@H](O)CN1CCN(C)CC1)c1ccc(N(C)C)cc1 775833322 BLABPDVKMDBWGV-QAPCUYQASA-N 320.481 1.012 10 10 DDCE C[C@@H](O)[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 897983683 JSKUXPFBYQDFAX-PELKAZGASA-N 323.370 1.534 10 10 DDCE C[C@H](O)CNC/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1 1321430861 SCASJUIUADDPIW-FIHJUISVSA-N 319.365 1.105 10 10 DDCE CN(CCCO)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1320090222 KMDKWOMOXBZBFO-UHFFFAOYSA-N 321.381 1.235 10 10 DDCE O=C(c1cccc(O)c1O)N1CCCC[C@H]1CCn1ccnn1 1347489170 ZVTJXTAURSKUNB-LBPRGKRZSA-N 316.361 1.774 10 10 DDCE O=C(NCc1nc(-c2ccncc2)n[nH]1)c1cc(O)cs1 1639294605 KSEFXTRBYAWRQI-UHFFFAOYSA-N 301.331 1.564 10 10 DDCE COC(=O)C1(CNC(=O)Cc2ccc(O)c(O)c2)CCCCC1 1632714810 DEJBIZHKYQBFIC-UHFFFAOYSA-N 321.373 1.880 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)[C@@H](C)CC(N)=O)cc1C 1732966673 PXCMACXPTROAJX-QWHCGFSZSA-N 321.421 1.109 10 10 DDCE CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2O)C1 1658874542 GUBMRINDVQJDCG-LLVKDONJSA-N 304.799 1.169 10 10 DDCE COc1cc(S(=O)(=O)N2CCC(N=[N+]=[N-])CC2)sn1 1912168568 DVYYBVLPYWGWFA-UHFFFAOYSA-N 303.369 1.615 10 10 DDCE CS(=O)(=O)c1ccsc1[C@H](O)[C@H](N)c1ccccc1O 1912414172 GYGCKSWHOQDQGD-VXGBXAGGSA-N 313.400 1.591 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cc(C(F)F)ncn1 1595752503 RBFIFPDBNHHMAB-UHFFFAOYSA-N 309.272 1.798 10 10 DDCE NS(=O)(=O)Cc1ccc(NCc2cccc(F)c2O)cc1 165012941 FWRHZOCVSPINHU-UHFFFAOYSA-N 310.350 1.932 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN1C[C@@H](O)CC12CNC2 2130046835 HUJKHJIWCGTNSL-JTQLQIEISA-N 303.189 1.608 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1COCC[C@]1(N)c1ccccc1O 1933870250 DDOQDIIQIJIZJR-BBRMVZONSA-N 308.378 1.860 10 10 DDCE CCCNCc1ccc(N(C)CC(N)=O)cc1Br 233103254 OPXLUHOJZLXMHQ-UHFFFAOYSA-N 314.227 1.870 10 10 DDCE C[C@@H]1C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)N(C(=O)OC(C)(C)C)C1 1980372231 YSYUUVYVGIYTRO-LPWJVIDDSA-N 324.421 1.898 10 10 DDCE C[C@H](c1ccc(F)cc1O)N(C)C[C@H]1CCS(=O)(=O)C1 2148786121 CWBXEZZWQDKUOA-GHMZBOCLSA-N 301.383 1.959 10 10 DDCE Nc1ccc(OCCC(=O)N2CCCC[C@H]2C2OCCO2)cc1 2145802608 HLABJVLBTBXLPU-HNNXBMFYSA-N 320.389 1.792 10 10 DDCE C[C@H]1CCN(c2ccc(CO)c(Br)c2)[C@@H]1C(N)=O 2029788798 UTOTVKXNSGONCR-UFBFGSQYSA-N 313.195 1.642 10 10 DDCE C[C@@H](N)c1ccc(N2CC(OCCO)C2)c(Br)c1 2034843913 QQRYVWRTCIBYIL-SECBINFHSA-N 315.211 1.666 10 10 DDCE CN(Cc1cnnn1C)c1ccc(CO)cc1Br 2038832606 GBKZWPWSPDMVHN-UHFFFAOYSA-N 311.183 1.706 10 10 DDCE CC(C)N(CC(N)=O)c1cc(Br)c(CN)cc1F 310615785 DUKUJVLPYXFXSN-UHFFFAOYSA-N 318.190 1.747 10 10 DDCE CCN(CCS(C)(=O)=O)c1ccc([C@H](C)NC)cc1F 688459010 WQRQGXLNQQXETN-NSHDSACASA-N 302.415 1.977 10 10 DDCE C[C@H](O)c1ccc(N2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(F)c1 2170330520 QBZGBLBKUJGVAP-VWYCJHECSA-N 301.383 1.891 10 10 DDCE CCCS(=O)(=O)CCN(C)c1ccc([C@H](C)N)c(O)c1 2170438982 IONTWPPJYBVHJZ-NSHDSACASA-N 300.424 1.673 10 10 DDCE CN(Cc1ncn(C)n1)c1ccc(CO)cc1Br 2058105629 ZGQWGUUQFTURFC-UHFFFAOYSA-N 311.183 1.706 10 10 DDCE Oc1ccc(CCNCc2n[nH]cc2Br)cc1O 2070727028 HYBXVPHCXLRNPV-UHFFFAOYSA-N 312.167 1.916 10 10 DDCE OC[C@@H]1COCC[C@@H]1NCc1c(O)cccc1Br 2072979435 ARZLBFAJGUBAEL-SKDRFNHKSA-N 316.195 1.642 10 10 DDCE CS(=O)(=O)[C@@H]1CCC[C@@H]1NCc1cc(F)cc(F)c1O 2205994891 CVDSBOXRAPJKDB-NWDGAFQWSA-N 305.346 1.726 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CC[C@@]2(C)C(=O)O)s1 2269120780 HCFXBMXHULAYKC-QPUJVOFHSA-N 300.405 1.982 10 10 DDCE CCCSC[C@H](N)C(=O)NCc1cnc(SC)s1 2256951518 ZJBKEMFBQUZWLL-VIFPVBQESA-N 305.494 1.952 10 10 DDCE CSc1ncc(CNS(=O)(=O)C2CCC(O)CC2)s1 2269123095 FTJJFRHWSPMREW-UHFFFAOYSA-N 322.477 1.588 10 10 DDCE CSc1ncc(Cn2c(C)c(C(=O)O)c(O)nc2=O)s1 2284504279 LCUQYBCTEZDVQB-UHFFFAOYSA-N 313.360 1.182 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)NC1(CO)CC1 2303765645 DUTSUEMCPZXUAG-UHFFFAOYSA-N 302.374 1.178 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)C[C@H](C)N(C)C2)s1 2347895772 CSLDLFZTJZXCKT-UFBFGSQYSA-N 301.437 1.502 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 52393875 UXOYHLRRSURCQL-TZNOJPMFSA-N 319.317 1.093 10 10 DDCE Cn1cc(N2CCC[C@@H](NC(=O)c3cccc(O)c3O)C2)cn1 189432608 JZCVTSRGJAHWDU-LLVKDONJSA-N 316.361 1.230 10 10 DDCE C[C@@H](CCNCc1ccc(N2CCOCC2)cc1)[S@@](C)=O 129374138 JMWSLHHLYYSCRJ-QKKBWIMNSA-N 310.463 1.770 10 10 DDCE COC(=O)Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 316257831 RMLRDQBUMXNDAM-UHFFFAOYSA-N 321.354 1.909 10 10 DDCE CN(Nc1nc2c(s1)CC[C@H]2C(=O)O)S(=O)(=O)C1CC1 2365273954 UAIIGTHSZWQUIO-SSDOTTSWSA-N 317.392 1.008 10 10 DDCE NS(=O)(=O)CCCCCCNCc1ccc(O)cc1O 2364250762 POUWKKSGYUVHPX-UHFFFAOYSA-N 302.396 1.036 10 10 DDCE O=S(=O)(C(F)F)[C@H]1CCN(Cc2cc(F)ccc2O)C1 2368507473 YKZYWFIMPYRGDW-JTQLQIEISA-N 309.309 1.743 10 10 DDCE Nc1c(I)ccc([C@@H](N)CC(=O)O)c1O 238643616 LTJKGEXYEAFJSP-LURJTMIESA-N 322.102 1.054 10 10 DDCE C[C@@H](O)CN(C)c1cc2c(cc1Br)[C@H](N)C(=O)N2 92775759 PXRPPBQMVLEZOU-KBUNVGBDSA-N 314.183 1.218 10 10 DDCE CCOCCN1CCN(Cc2ccc(OC)cc2O)C[C@H]1C 245714748 GQJXPFCLRRIYER-CQSZACIVSA-N 308.422 1.943 10 10 DDCE CN1CCCc2cc(CNC(=O)N[C@H]3CCC[C@H]3O)ccc21 247353228 LPQCITPWUWIHRW-GOEBONIOSA-N 303.406 1.782 10 10 DDCE O=C(c1cccc(O)c1O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 277721231 YDXVFHGPRNBGTQ-UFBFGSQYSA-N 319.279 1.873 10 10 DDCE CN(C)c1ccc(CNC(=O)NCc2ccnn2C)cc1F 299345079 WDZKNFMCGFXFMC-UHFFFAOYSA-N 305.357 1.625 10 10 DDCE Cc1cc(O)c(CNC[C@]2(OCCO)CCOC2)cc1Cl 826943685 YGAMEPQQIHUBNI-OAHLLOKOSA-N 315.797 1.612 10 10 DDCE O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1cc(O)cs1 731871575 IYGYHQSUUDOHKN-SNVBAGLBSA-N 304.375 1.643 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)/C=C\Cn1cncn1 901054378 WWTAHGDJIJLHSH-YVMONPNESA-N 300.362 1.979 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(C2CCC2)nn1 843851573 OTLMXXCZJDUOBK-SNVBAGLBSA-N 316.361 1.775 10 10 DDCE Cc1cc(N(C)C)ccc1CN(C)C[C@H]1CCS(=O)(=O)C1 840916721 DNNKWMFVUPTDDP-CQSZACIVSA-N 310.463 1.928 10 10 DDCE COCCN1CCN(Cc2cccc(OC)c2O)C(C)(C)C1 846101637 FVPGNXSZSRJALP-UHFFFAOYSA-N 308.422 1.943 10 10 DDCE CN(c1ccc(CNC(=O)CNC(N)=O)cc1)C1CCCCC1 742822891 YJROBIYFOJNYKL-UHFFFAOYSA-N 318.421 1.740 10 10 DDCE Cc1nn(CN2CCCc3cc(OC(F)F)ccc32)c(=O)n1C 844697250 GKWUBSMPVNPIEH-UHFFFAOYSA-N 324.331 1.902 10 10 DDCE CCc1noc(C[C@]2(O)CCCN(Cc3ccccc3O)C2)n1 856594438 ZNXPSAVTCBNCIG-QGZVFWFLSA-N 317.389 1.907 10 10 DDCE CC[C@H](O)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854298978 DDIYHQWOXLRKNO-ZFWWWQNUSA-N 321.421 1.734 10 10 DDCE c1cc(N2CCOCC2)ccc1CN[C@H]1CCNC12CCC2 863483293 UUHVBHMWYZZVOP-KRWDZBQOSA-N 301.434 1.897 10 10 DDCE CN(C)c1ccc(/C=C/CNCc2nc(O)cc(CN)n2)cc1 863647858 FHHDGJNHEAVAFB-ONEGZZNKSA-N 313.405 1.510 10 10 DDCE C[C@]12CCC(=O)N1[C@@H](C(=O)N1Cc3cccc(O)c3C1)CS2 871198589 JXXNCBGUPSHMBA-WBMJQRKESA-N 318.398 1.688 10 10 DDCE COCc1nc(CN(C)c2ccc(OCC(=O)OC)cc2)no1 784562919 ARNGDAHTUHMMKM-UHFFFAOYSA-N 321.333 1.404 10 10 DDCE COC[C@H]1C[C@@H](O)CN1C(=O)c1cc2cc(O)c(O)cc2s1 898275176 MNYMMHLOLCMGMV-NXEZZACHSA-N 323.370 1.534 10 10 DDCE O=S1(=O)[C@H]2CC[C@H]1CN(Cc1cc(F)cc(F)c1O)CC2 895401951 GKRFQXCBKXTDQI-RYUDHWBXSA-N 317.357 1.822 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1 1899734467 MMKUKNKJHTUMIH-CYDGBPFRSA-N 324.421 1.803 10 10 DDCE O=C(NCCc1cnccn1)NCc1cc(Cl)ccc1O 1230981905 HIEDWEFGQYPSSZ-UHFFFAOYSA-N 306.753 1.878 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cc(O)nc(C2CC2)n1 1162278983 PSLNZDAAJMNWOP-UHFFFAOYSA-N 301.302 1.401 10 10 DDCE C[C@@H]1CC(=O)NCCN1c1ccc(CN)c(Br)c1 708258772 DGKDQXLECQWBHA-SECBINFHSA-N 312.211 1.623 10 10 DDCE CCN1CC[C@H](NCc2cccc(Br)c2O)C1=O 708662376 ICAUTNTXXVVCTA-NSHDSACASA-N 313.195 1.865 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@H](Cn2cncn2)C(=O)O)cc1 1350666178 FIYDRRVVHIQZQL-ABCZVMIZSA-N 315.377 1.100 10 10 DDCE O=C(NCc1cccc(Cl)c1O)c1ccc2nnnn2c1 1457038647 YPWQWOIFAVLTBQ-UHFFFAOYSA-N 303.709 1.413 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(CO)n1 1466790494 HEQOFNRWNQBMHJ-QMMMGPOBSA-N 308.359 1.408 10 10 DDCE COc1cc(CN2CCC(O)CC2)ccc1N1CCNCC1 212639495 AKVUQBOYTCYMGM-UHFFFAOYSA-N 305.422 1.062 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(C(N)=O)CCC1 1624625748 AOPCTVBSOCCDKY-UHFFFAOYSA-N 315.417 1.901 10 10 DDCE O=C(NCc1ncc(C(F)(F)F)cn1)c1cccc(O)c1O 1624528786 BOJOAQNEXWJLPD-UHFFFAOYSA-N 313.235 1.837 10 10 DDCE O=C(NCCc1ccc(CO)cc1)c1c(F)ccc(O)c1O 1558958191 PRVSGQCIFYKGHD-UHFFFAOYSA-N 305.305 1.702 10 10 DDCE CNC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2O)cn1 1647826605 BFLPPFPMMHVWHI-UHFFFAOYSA-N 319.748 1.730 10 10 DDCE COc1ccc(CNC(=O)NCc2cnc(Cl)cn2)c(O)c1 1684761658 KLCGCMRMJZBCOO-UHFFFAOYSA-N 322.752 1.844 10 10 DDCE C[C@H](CS(=O)(=O)N(C)C)NCc1cc(F)cc(F)c1O 1965912443 RLJNEZDHLVEXBJ-MRVPVSSYSA-N 308.350 1.040 10 10 DDCE CCOC(=O)c1cccc(N)c1NC1CCS(=O)(=O)CC1 161014070 CQOYPVNDJHSSSM-UHFFFAOYSA-N 312.391 1.435 10 10 DDCE CN(Cc1cc(N)ccc1O)C[C@H](O)COCc1ccccc1 1916349435 USENUCIHQPXHHY-KRWDZBQOSA-N 316.401 1.984 10 10 DDCE C[C@@H]1CN(c2ccc(CN)cc2Br)CC(=O)N1C 1925970960 PEFFLBCJWQWMHD-SECBINFHSA-N 312.211 1.575 10 10 DDCE CS(=O)(=O)N[C@@H]1CCN(Cc2c(O)cccc2Cl)C1 128629887 HJXZZYJJLJGGNF-SECBINFHSA-N 304.799 1.169 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNC(=O)c1cccc(O)c1O 1982314853 SJQAXIFEEUONQF-ONGXEEELSA-N 322.361 1.741 10 10 DDCE C[C@@H]1CN(c2ccc(CO)cc2Br)CC[S@@]1=O 2004531521 SHERCIOQCQMERW-XLFHBGCDSA-N 318.236 1.899 10 10 DDCE NC(=O)CN(Cc1ccc(N)cc1)Cc1scnc1Cl 721918742 HATNJOGZLNZUJM-UHFFFAOYSA-N 310.810 1.866 10 10 DDCE COc1ccc(Br)c(CN2CCN(C)CC2)c1O 1231548178 OVLFSDYOYRYWMU-UHFFFAOYSA-N 315.211 1.911 10 10 DDCE CCN(c1ccc(CO)cc1Br)[C@H]1CCNC1=O 2051527680 GIXNKSPJJKTNFG-LBPRGKRZSA-N 313.195 1.656 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H](O)[C@@H](O)C2)c(Br)c1 2068367900 AHYWVRCTGSPSOH-HJIKLVIJSA-N 315.211 1.401 10 10 DDCE CNCc1ccc(N2CC[C@@H](O)[C@@H](O)C2)cc1Br 2068376539 JCMKJWJFMCWCEM-OLZOCXBDSA-N 315.211 1.100 10 10 DDCE OCc1ccc(N2C[C@@H](O)C[C@@H](F)C2)cc1Br 2213887894 MYYWCODWOBLNQH-KOLCDFICSA-N 304.159 1.851 10 10 DDCE Oc1ccc(Br)cc1CN[C@H]1COC2(COC2)C1 2258418041 KSICPVWHZIOZCG-LLVKDONJSA-N 314.179 1.802 10 10 DDCE CC(=O)N1C(=O)C(=C2SC(=S)NC2=O)c2ccccc21 2293038849 DPLJMGLEZQNAFR-UHFFFAOYSA-N 304.352 1.439 10 10 DDCE CSc1ncc(CNC(=O)N[C@](C)(C(=O)O)C2CC2)s1 2284536280 FGUXFCOMCHSGRX-LBPRGKRZSA-N 315.420 1.918 10 10 DDCE CC(=O)NN1C(=O)C(=Cc2ccccc2[N+](=O)[O-])SC1=S 2314716968 DSEWIRFQULBQMC-UHFFFAOYSA-N 323.355 1.847 10 10 DDCE CNC(=O)CCNCc1ccc(C)c(Br)c1O 2307475735 TXJCKKXEAPKBAA-UHFFFAOYSA-N 301.184 1.689 10 10 DDCE CO[C@H]1CN(c2ccc(CN)c(Br)c2)C[C@@H]1OC 228157341 FWOKVLYEPLBJGS-STQMWFEESA-N 315.211 1.758 10 10 DDCE Cc1n[nH]c([C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3O)CCO2)n1 173663062 IWQLOBFANKXUBL-ZDUSSCGKSA-N 319.321 1.300 10 10 DDCE O=S1(=O)CC(NCc2cc(OC(F)(F)F)ccc2O)C1 2361027715 JJXDCCUTPXXZOF-UHFFFAOYSA-N 311.281 1.177 10 10 DDCE COc1ccc(N(C)CCCNS(C)(=O)=O)cc1Cl 121862764 BEFVXEKXLKPDNW-UHFFFAOYSA-N 306.815 1.724 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CC(=O)C(=O)C[C@H]1C[C@H](N)C1)C1CC1 1895032180 WCDFXRBDKJRYQG-DRZSPHRISA-N 324.421 1.945 10 10 DDCE C[C@H](NC(=O)c1cccc(O)c1O)c1nnc2n1CCCCC2 363998783 XCGSZEFZVAGNJP-JTQLQIEISA-N 316.361 1.907 10 10 DDCE O=C(NCc1cc(Br)ccc1O)c1cnsn1 804735419 YGOAGCLJKYHGTC-UHFFFAOYSA-N 314.164 1.936 10 10 DDCE COc1ccc(N2CCN(C(=O)CN3C[C@H](C)[C@@H]3C)CC2)cc1 293196539 XKVFBUFYPNKFKG-GJZGRUSLSA-N 317.433 1.684 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Nc3cccnn3)C2)cc1 821834800 HRBKBLKSVOQHCP-GFCCVEGCSA-N 313.361 1.886 10 10 DDCE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)/C=C\c1ccc(O)c(O)c1 588403911 HMSPSHRQNWDPSH-ZOZIERIHSA-N 304.346 1.223 10 10 DDCE Cc1ccn([C@H](C)CC(=O)NCCc2ccc(O)c(O)c2)n1 830532481 XHSRCVYXUHJEBB-GFCCVEGCSA-N 303.362 1.913 10 10 DDCE c1cc(N2CCOCC2)ccc1CNC[C@H]1C[C@@H]2COC[C@@H]2O1 922728947 WWOUJSBUAPQJML-NXHRZFHOSA-N 318.417 1.417 10 10 DDCE C[C@H]1CN(Cc2cc3c(cc2O)CCC3)C[C@@H](C)N1CCO 840132275 BBWLTMDJXVZYNC-OKILXGFUSA-N 304.434 1.768 10 10 DDCE CC(C)O[C@@]1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCOC1 928753683 VDBIEHQSTYGENP-UKINESCASA-N 321.373 1.811 10 10 DDCE COC(=O)[C@H]1CCCN(Cc2cc3c(cc2O)OC[C@H]3O)C1 768448755 WJBJHWYLELSTTI-IINYFYTJSA-N 307.346 1.203 10 10 DDCE COCCN(CC1CCN(C)CC1)C(=O)c1cc(O)cs1 869762090 CFFANGXHFHZORZ-UHFFFAOYSA-N 312.435 1.884 10 10 DDCE COc1ncc(/C=C\C(=O)NCc2c(O)cccc2O)cn1 1304053922 WFVIWUPPVRJMTH-WAYWQWQTSA-N 301.302 1.226 10 10 DDCE CN(CCNC(=O)c1ccc(O)c(O)c1)C(=O)OC(C)(C)C 1962353252 KMTBOZXVAYXTHV-UHFFFAOYSA-N 310.350 1.695 10 10 DDCE O=C(O)C1CCN(Cc2ccc(N3CCNCC3)cc2)CC1 84857370 MBOMYILQEWWOBN-UHFFFAOYSA-N 303.406 1.393 10 10 DDCE O=C([C@H]1CC12CCS(=O)(=O)CC2)N1Cc2cccc(O)c2C1 1330662549 MHQDEXTWTBDZJW-CYBMUJFWSA-N 321.398 1.449 10 10 DDCE COC(=O)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccn1 1450215942 ALOIIWRKALMZBG-HNNXBMFYSA-N 316.313 1.066 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCn2ncnc21 1556515992 VLSIVZZQGRUURQ-LLVKDONJSA-N 321.377 1.663 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CC[C@@H](C(F)(F)F)O1 1637776853 STRMYTHSIHJPOG-SKDRFNHKSA-N 319.279 1.866 10 10 DDCE CNc1cnc(C(=O)NCc2ccc3cccnc3c2O)cn1 1639624594 BMIQJCVIHCVOTE-UHFFFAOYSA-N 309.329 1.702 10 10 DDCE Cc1cnn(C)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 1632699719 HDNDNQHNARXOMU-UHFFFAOYSA-N 324.362 1.058 10 10 DDCE CC(=O)c1cc(Cl)cc(CN(C)CCn2cnnc2)c1O 1560115304 UXSWINQQBCNJCG-UHFFFAOYSA-N 308.769 1.972 10 10 DDCE CCN(CCCO)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1567357401 XOPSXNNNYDKTLV-UHFFFAOYSA-N 321.381 1.283 10 10 DDCE C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H](O)Cc1ccccc1 1650896923 PGIACFGKTYIJNV-QMTHXVAHSA-N 319.332 1.959 10 10 DDCE CC(C)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NCCO 1698979971 ALYNCIDEPUSXJT-CYBMUJFWSA-N 321.381 1.185 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc([C@H]2NCCNC2=O)c(O)c1 1952419240 QAUHIHGIKVTCOE-GFCCVEGCSA-N 307.350 1.500 10 10 DDCE COc1cc(Br)cc([C@H]2NCC[C@@H]2C(=O)O)c1O 1952972581 PEQUOXSXMGGMCO-XVKPBYJWSA-N 316.151 1.899 10 10 DDCE Nc1ccc(OCCN2CC(CNC(=O)C(F)(F)F)C2)cc1 1977895288 ABBIFURKUWZYME-UHFFFAOYSA-N 317.311 1.258 10 10 DDCE O=C1NC[C@H](CNCc2cc(Br)ccc2O)O1 2013569850 VWNKECITRFNNSF-VIFPVBQESA-N 301.140 1.353 10 10 DDCE Cc1cc(O)ccc1NS(=O)(=O)N1CCCC[C@H]1CO 2157762886 BHXSAVYGKCUXSX-NSHDSACASA-N 300.380 1.204 10 10 DDCE Cc1nncn1CCNCc1cccc(Br)c1O 390879013 SUCMKRXAGRJHAS-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE CO[C@H]1CCC[C@@H](NC(=O)c2cnn3c(O)cc(C)nc23)C1 2062417250 ALLZHSBWEQCPFW-MNOVXSKESA-N 304.350 1.431 10 10 DDCE CNC(=O)c1cc(C2CC2)nn1Cc1cccc(OC)c1O 2070045111 FCILHWJIZZFBIX-UHFFFAOYSA-N 301.346 1.883 10 10 DDCE CC[C@H](N[C@@H](CO)[C@H](C)O)c1cc(Br)ccc1O 2053800754 RBSLSAVEYBSJHI-UWJYBYFXSA-N 318.211 1.937 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N1CCC(=CBr)C1 2068616002 VPAARMWXRZMZFM-UHFFFAOYSA-N 314.135 1.928 10 10 DDCE O=C(O)Cn1nnnc1Sc1ncc(C(F)(F)F)s1 2099853289 MGBBMKPNVWLPJL-UHFFFAOYSA-N 311.270 1.384 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H]2[C@@H](O)CO)c(Br)c1 2258345902 NCIYCWBEXCVWON-HJIKLVIJSA-N 315.211 1.401 10 10 DDCE Cc1cc(N(C)CCS(=O)(=O)N(C)C)ccc1[C@H](C)O 2285169330 CJRGQVNRAJKGPY-LBPRGKRZSA-N 300.424 1.376 10 10 DDCE COc1cc(OC)c(N2CCNC[C@]2(C)CO)cc1Cl 2285850054 FPVXVVNPDROCAW-CQSZACIVSA-N 300.786 1.518 10 10 DDCE CNC(=O)c1cncc(C=CC(=O)N2CCOc3ncccc32)c1 2297783519 YQXOULZDJVVFQF-UHFFFAOYSA-N 324.340 1.275 10 10 DDCE CCOC(=O)CCN(C)N=Nc1ccc2c(c1)OCC(=O)N2C 2330246235 VCVSIHGGFLOESA-UHFFFAOYSA-N 320.349 1.926 10 10 DDCE COc1cccc(CNc2nc(N)c3cnn(C)c3n2)c1O 302877995 GYGQLYVVZWCCNH-UHFFFAOYSA-N 300.322 1.272 10 10 DDCE Cc1cc(O)c(O)cc1CCNS(=O)(=O)c1cccs1 170279056 IJUFGGIONFEQIZ-UHFFFAOYSA-N 313.400 1.989 10 10 DDCE C[C@@H](C(=O)Nc1ccc(N)cc1)S(=O)(=O)C1CCOCC1 62054864 ZICLQGHKYDEMII-JTQLQIEISA-N 312.391 1.190 10 10 DDCE CN(Cc1ccccc1O)[C@@H](C(=O)NC(N)=O)c1ccccc1 171925798 XQHPOPFZJXBFKW-OAHLLOKOSA-N 313.357 1.760 10 10 DDCE CCNCc1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)cc1Cl 2361608444 FUSONDPLDVXBNX-RISCZKNCSA-N 314.838 1.683 10 10 DDCE CS(=O)(=O)N1CC(CNCc2c(O)ccc3ccccc23)C1 189693069 HWEVRHCMJIXKCG-UHFFFAOYSA-N 320.414 1.526 10 10 DDCE CS(=O)(=O)CCOc1ccc(N2CCC[C@@H](N)C2)c(F)c1 87439571 ZZIQMSNBSXXDEO-LLVKDONJSA-N 316.398 1.177 10 10 DDCE CS(=O)(=O)[C@@H]1CCC[C@H](OC(=O)Cc2ccc(N)cc2)C1 94643395 ZSMJRLFASXXJBO-UONOGXRCSA-N 311.403 1.710 10 10 DDCE COc1ccc(N2CCNCC2)c(OC)c1Br 234979109 AKHGZIBUHDEHNI-UHFFFAOYSA-N 301.184 1.876 10 10 DDCE CCN1CCN(C(=S)N(C(C)=O)c2ccc(N)cc2)CC1 243678369 PFHUPHPVWZNMBV-UHFFFAOYSA-N 306.435 1.544 10 10 DDCE CCOC(=O)C1(O)CCN(Cc2cccc(Cl)c2O)CC1 271788986 ITMRHNOXXWVVPW-UHFFFAOYSA-N 313.781 1.936 10 10 DDCE CN(C)c1ccc(CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1F 373736615 BQOUVDSYAPSUFR-XEZPLFJOSA-N 305.397 1.978 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CC3(F)CC2C3)cc1 2167651218 CLKRSZAEWZPRCA-UHFFFAOYSA-N 300.355 1.164 10 10 DDCE CCNC(=O)C1CN(Cc2cc(Br)ccc2O)C1 839139865 XPLIKYUCZHWFLP-UHFFFAOYSA-N 313.195 1.723 10 10 DDCE CN(C)c1ccc([C@@H](N)CNC(=O)[C@@]2(C)C[C@H]3CC[C@H]2O3)cc1 832286363 YPJSLPXIIZUQTC-HPFXQQBRSA-N 317.433 1.826 10 10 DDCE COC1CCN(c2ccc(Cn3nc(C)oc3=O)cc2)CC1 849985567 COAFVJQJEQWILH-UHFFFAOYSA-N 303.362 1.808 10 10 DDCE COC(=O)CC1CC(NC(=O)NCc2cccc(OC)c2O)C1 924919781 ALIYJEGSVYRCPM-UHFFFAOYSA-N 322.361 1.542 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3COC[C@H]3C)C2)cc1 923188956 VITBXRAYHJTKBU-DVOMOZLQSA-N 319.405 1.608 10 10 DDCE C[C@H]1C[C@@H](NC(=O)NCc2c(O)cccc2F)CN1C1CC1 921384059 IXJGLQXNGCBCGJ-WDEREUQCSA-N 307.369 1.956 10 10 DDCE COC[C@H]1CCN1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852448929 NXKMWJNYOGLMIB-DZGCQCFKSA-N 319.405 1.704 10 10 DDCE C[C@@H]1O[C@H](C)C[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O 865315072 HHKSXTDDMJXUCD-MDZLAQPJSA-N 304.346 1.722 10 10 DDCE C[C@@H](NC(=O)N1CC[C@H](NC(N)=O)C1)c1ccc(N(C)C)cc1 776244465 JMBDMQSIHUBTSJ-YPMHNXCESA-N 319.409 1.266 10 10 DDCE COc1ccc(CN[C@@H](Cc2ncccn2)C(=O)O)cc1C 1118224446 GYNQXCZFCGEAMS-ZDUSSCGKSA-N 301.346 1.579 10 10 DDCE COc1ccc(CNS(=O)(=O)c2cnc3n2CCC3)c(O)c1 795357934 TVOMYSGGNYKKEL-UHFFFAOYSA-N 323.374 1.022 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCOc2ncccc2C1 1153740929 PEZAJPWOPAHQAP-XQRVVYSFSA-N 312.325 1.927 10 10 DDCE CC(C)CCn1cc(C(=O)NCc2c(O)cccc2O)nn1 1156880933 IIKQWAICGARABE-UHFFFAOYSA-N 304.350 1.665 10 10 DDCE O=C(O)[C@@H]1C[C@H]1CNCc1cc(Br)ccc1O 715239216 OOOPGBSPDRZVKP-OIBJUYFYSA-N 300.152 1.965 10 10 DDCE COc1ccc(CNC[C@H](C)N(C)C(=O)c2cn[nH]c2)cc1C 1268052425 DCLROBGKCZHRHJ-ZDUSSCGKSA-N 316.405 1.977 10 10 DDCE CO[C@H](C(=O)Nc1c(Cl)ccc2nonc12)[C@@H]1CCOC1 1351259612 SBEDAYCNBFQREF-KRTXAFLBSA-N 311.725 1.866 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCCc2ccnc(O)c21 1454234411 RUMJEENPQFFHIA-UHFFFAOYSA-N 300.314 1.720 10 10 DDCE COC(=O)c1occc1CNC(=O)/C=C/c1ccc(O)c(O)c1 1453580222 CGRLTGITKMPMTE-HWKANZROSA-N 317.297 1.807 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)N2CCc3ncc(C)cc32)c1 1523298331 MJYOTSXZJYHVKE-ARJAWSKDSA-N 322.368 1.747 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2cnccn2)cc1C 1483106737 SJYCKXLPKWKBML-CYBMUJFWSA-N 314.389 1.702 10 10 DDCE COC(=O)Cc1cccc(C(=O)NCc2ccc(O)cc2O)c1 1630306454 CTIXAOFMKKDXDW-UHFFFAOYSA-N 315.325 1.743 10 10 DDCE CCC[C@@H](C(=O)NCc1cccc(Cl)c1O)S(N)(=O)=O 1640405281 PMLJVFKGUURYEV-JTQLQIEISA-N 320.798 1.119 10 10 DDCE Cn1nnc2c(NCc3ccc4cccnc4c3O)ncnc21 1640050500 AGMBOLVXOXJJPO-UHFFFAOYSA-N 307.317 1.624 10 10 DDCE O=C(NCc1cccc(Cl)c1O)c1ccnc2[nH]nnc12 1653567419 YTIHSGOWGVWVNT-UHFFFAOYSA-N 303.709 1.642 10 10 DDCE NC(=S)c1ccc(C(=O)NCc2c(O)cccc2O)cc1 1597568967 LJHGDFLXYOBLMN-UHFFFAOYSA-N 302.355 1.662 10 10 DDCE CN(C)C(=O)c1cccc(C(=O)NCCc2ccc(N)cc2)c1 152586832 GOKMWCSKIXVZHY-UHFFFAOYSA-N 311.385 1.943 10 10 DDCE CN(C)[C@@H]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 155664618 AKHXLXWVDMUEDL-QGZVFWFLSA-N 314.433 1.908 10 10 DDCE Cn1nnc(Br)c1COc1cc(F)cnc1N 1942125373 PZFPDCASSRMPAB-UHFFFAOYSA-N 302.107 1.273 10 10 DDCE NCc1cc(F)c(N2C[C@H]3CCS(=O)(=O)[C@H]3C2)c(F)c1 2145062255 RFCWDEVXNLBQCI-SKDRFNHKSA-N 302.346 1.047 10 10 DDCE NCc1ccc(N2CCC[C@@]23CC[S@@](=O)C3)c(F)c1F 2158464309 GHBDPJWBUCMHGQ-VBKZILBWSA-N 300.374 1.915 10 10 DDCE CNCc1ccc(OC)c(C[S@](=O)CCC[S@](C)=O)c1 320458689 YKHGOFHYBIFRQD-VQTJNVASSA-N 317.476 1.432 10 10 DDCE CC[C@H](NC[C@H](O)[C@H](C)O)c1cc(Br)ccc1O 717319675 WHCTXZZCZZJBPR-QWRKXWFKSA-N 318.211 1.937 10 10 DDCE COC(=O)NC[C@@H]1CCN1c1cc(Cl)c(CN)cc1F 2187294472 RYUZBVNHFWEHJB-VIFPVBQESA-N 301.749 1.873 10 10 DDCE O=C1NCC[C@@H]1CCNCc1ccc(Br)cc1O 2075992392 QWJKKZYAZSXMDS-VIFPVBQESA-N 313.195 1.771 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@H]3[C@H]2CO)c(Br)c1 2078275909 WMVJDLVDZNWYKQ-MISXGVKJSA-N 311.223 1.986 10 10 DDCE COC[C@@H](O)CNCc1c(Br)ccc(OC)c1O 2220463329 ZHADOHNUAVZWGZ-QMMMGPOBSA-N 320.183 1.260 10 10 DDCE COc1cc(OC)c(N2CCC(O)(CN)CC2)cc1Cl 2285938262 ZRJXQSJQRNHTDS-UHFFFAOYSA-N 300.786 1.647 10 10 DDCE CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NC(=N)N[N+](=O)[O-] 101148331 KYHSJBNMUVTMJR-UXBLZVDNSA-N 322.712 1.252 10 10 DDCE CN(Cc1ccccc1O)C(=O)NCC1CCN(CCO)CC1 111869916 DZKSHYVDYQRLBH-UHFFFAOYSA-N 321.421 1.238 10 10 DDCE [N-]=[N+]=NCCCNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 42013281 ICXTUHADUNIDEO-UHFFFAOYSA-N 303.275 1.713 10 10 DDCE Nc1ccc(NC(=S)NCCN2C(=O)CSC2=O)cc1 243404093 MOTUCBGMVBMHII-UHFFFAOYSA-N 310.404 1.251 10 10 DDCE CCOC(=O)CN1C(=O)/C(=C/c2cnccn2)c2ccccc21 809157083 HMGHPWLWOIHBOT-NTEUORMPSA-N 309.325 1.927 10 10 DDCE COC(=O)CC[C@H](N)C(=O)NCCCSc1nccs1 829528837 ZYIXWLQJGCRZAR-VIFPVBQESA-N 317.436 1.022 10 10 DDCE C[C@@H](Cn1cncn1)NCc1ccc(Br)cc1O 825150954 NQAZUUVZTLJOKO-VIFPVBQESA-N 311.183 1.925 10 10 DDCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCCCCO 588610183 BOLSPPQIPMXQLA-YVMONPNESA-N 304.390 1.425 10 10 DDCE CC[C@H](O)[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 912293509 YRVOUVSNIKKXOM-ZENOOKHLSA-N 306.406 1.797 10 10 DDCE C[C@H]1CN([C@H](C)CNCc2cc3c(cc2O)OCO3)C[C@@H](C)O1 848563556 UZFZVZHJQILNAN-UPJWGTAASA-N 322.405 1.708 10 10 DDCE COc1cc(O)c(CN2CC[C@@H]3CNC[C@@H]3CC2)cc1OC 843127245 PBNBTZBPMDAIIC-BETUJISGSA-N 306.406 1.841 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](O)C(C)(C)C)C2)cc1 855233754 MIHFTCVCULTFMQ-SWLSCSKDSA-N 306.406 1.797 10 10 DDCE O=C1C[C@H](CCNCc2c(O)cccc2Br)CN1 922779259 RDRYGRPXUFVHFO-VIFPVBQESA-N 313.195 1.771 10 10 DDCE COc1ccc(N2CC[C@H](N[C@H]3C(=O)NCC3(C)C)C2)cc1 926679953 HOUVSRWJHAIKDA-WFASDCNBSA-N 303.406 1.388 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N(CCO)C3CC3)C2)cc1 854301238 LRZTYLMFVDURPB-CYBMUJFWSA-N 319.405 1.440 10 10 DDCE COC(=O)c1cc(OC[C@H](OC)[C@@H]2CCOC2)ccc1N(C)C 865395016 GGYCXYYFUPHOCO-WBMJQRKESA-N 323.389 1.970 10 10 DDCE COC(=O)C(C)(C)N1CCN(Cc2cccc(C)c2O)CC1 779190916 NHZIGOPMERYQSA-UHFFFAOYSA-N 306.406 1.770 10 10 DDCE CNC(=O)[C@@H](NCc1cc(Cl)cc(OC)c1O)C(C)C 787322032 ALFZUNRDQVUIIR-LBPRGKRZSA-N 300.786 1.914 10 10 DDCE COc1cc(O)c(CNC[C@H](CO)Cc2ccoc2)cc1OC 895591046 IMPXXGUCMOQWCW-CYBMUJFWSA-N 321.373 1.943 10 10 DDCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](C(F)(F)F)O1 1136982181 ICFADBXDHSNFKH-QPUJVOFHSA-N 319.279 1.819 10 10 DDCE CN1CCCc2cc(CNC(=O)C3CN(CC(F)F)C3)ccc21 791341045 PJCTYMRGGPZYIL-UHFFFAOYSA-N 323.387 1.882 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@H](CC2CC2)C(=O)O)cc1F 797715303 NGCHKZXRZHVDAM-CYBMUJFWSA-N 323.368 1.944 10 10 DDCE Cn1cc(C(=O)NCc2cccc(O)c2O)c2ccccc2c1=O 1303194443 BPRMAEIQHYYUAP-UHFFFAOYSA-N 324.336 1.880 10 10 DDCE COc1ccc(OC)c(CC(=O)NCc2cc(O)ccc2O)c1 1303223288 IXJBTOVNHBSRTP-UHFFFAOYSA-N 317.341 1.974 10 10 DDCE C[C@H](NC(=O)CNC(=O)c1ncccc1O)c1ccccc1O 1171729727 GYIXOGWZSLWMLI-JTQLQIEISA-N 315.329 1.100 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc(CN)cc1Cl 696832836 CNHFAKIHAYOVHB-OLZOCXBDSA-N 318.826 1.047 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CC1(F)F 1331375736 ROOZKJMHYVZPAE-NSHDSACASA-N 312.316 1.512 10 10 DDCE COC[C@H](OC)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1264287431 XMYJENLXTLCCSD-INIZCTEOSA-N 306.406 1.907 10 10 DDCE CC(C)NC[C@@H](O)CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1278839569 RKZANTAHDZTRML-CYBMUJFWSA-N 321.381 1.280 10 10 DDCE Cc1noc([C@@H](NC(=O)Cc2ccc(O)c(O)c2)C(C)C)n1 1457414980 JGQPOVSSLFQLOZ-AWEZNQCLSA-N 305.334 1.845 10 10 DDCE COC(=O)c1ccnc(N[C@@H](C)Cc2ccc(O)c(O)c2)n1 1458311284 UTIIDZZMNXKFAS-VIFPVBQESA-N 303.318 1.718 10 10 DDCE C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)/C=C/c1ccc(O)c(O)c1 1452463121 LKUIIFLTHBUNJL-PSPLBQOUSA-N 318.373 1.612 10 10 DDCE Cn1ncc(CCC(=O)NCc2c(O)ccc3ccccc23)n1 1472084894 GPTMWQDTQKFFMQ-UHFFFAOYSA-N 310.357 1.923 10 10 DDCE CNC(=O)c1ccc(OC)c(NC(=O)c2cccc(O)c2O)c1 1625929637 QRYMMQIDUSRSBG-UHFFFAOYSA-N 316.313 1.718 10 10 DDCE COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cc(O)ccc1O 1643882279 SBBRWPFOJBAAHU-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE C[C@@H](C(=O)OC(C)(C)C)S(=O)(=O)N1CC[C@H](N=[N+]=[N-])C1 1912177450 FAVPWNDNERPSMX-IUCAKERBSA-N 304.372 1.431 10 10 DDCE CC(C)CN1CCO[C@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1587447648 MFZWFFOZDLAWSL-CQSZACIVSA-N 322.405 1.113 10 10 DDCE COC(=O)c1ccccc1C(=O)NCc1c(O)cccc1O 1597574677 QCAOWRSQLBWJGG-UHFFFAOYSA-N 301.298 1.814 10 10 DDCE CC[C@H]1SC(=S)N(CC(=O)NCc2ccccc2)C1=O 11635661 LYNLUCXPVZBGTP-LLVKDONJSA-N 308.428 1.942 10 10 DDCE O=C1C[C@@H](C(=O)NCc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)CN1 1889601158 MBACQIFVCBJFPR-LZWOXQAQSA-N 313.401 1.428 10 10 DDCE CC(=O)C(=O)C1(O)CCC2(CC1)C[C@@H]2NC(=O)OC(C)(C)C 1919253598 WJRCMDDMEXQOEH-SOISORPOSA-N 311.378 1.733 10 10 DDCE NC(=O)[C@](CSc1nccs1)(NC1CC1)C1(Cl)CC1 2141535189 ZLPFGHNAQKFUFQ-LBPRGKRZSA-N 317.867 1.983 10 10 DDCE CN1CCN[C@@H](c2cc(Cl)cc(Br)c2O)C1=O 1951971357 VTQRPESDTGWQJJ-VIFPVBQESA-N 319.586 1.911 10 10 DDCE CNCc1ccc(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1Cl 2145069809 DSAMXCUVEVUGTG-SMDDNHRTSA-N 314.838 1.683 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1CCCc1ccc(N)cc1 158230473 VVHVWKGERSNGIA-AWEZNQCLSA-N 314.476 1.621 10 10 DDCE CN(c1ccc(CO)cc1Br)C1CC(C(N)=O)C1 703525158 SKSRLLYJNKMFJP-UHFFFAOYSA-N 313.195 1.642 10 10 DDCE CO[C@H]1C[C@H](O)CN(c2ccc(CN)c(Br)c2)C1 2046666224 YOXGMNMVTMGWNY-RYUDHWBXSA-N 315.211 1.494 10 10 DDCE C[C@@H](O)c1ccc(N2CC(CS(C)(=O)=O)C2)c(Cl)c1 2103221199 LXYVZFUKMVVTSQ-SECBINFHSA-N 303.811 1.874 10 10 DDCE CSc1ncc(CN[C@@H]2CN(CC(C)C)C[C@@H]2O)s1 2269095110 LGOJYDXKOHFYGP-NEPJUHHUSA-N 301.481 1.656 10 10 DDCE CSc1ncc(CN=c2nc(Br)[nH]n2C)s1 2243773066 JJTFZAMSZHCWEJ-UHFFFAOYSA-N 320.241 1.790 10 10 DDCE Cc1ccc(CN(C)C(=N)NC(=N)N)c(O)c1Br 2327609193 YSHINLMXDDTJQP-UHFFFAOYSA-N 314.187 1.313 10 10 DDCE COc1ccc(N2CCN(C(=O)c3oncc3C)CC2)cc1 72796251 UMKZCNGQCSWNEE-UHFFFAOYSA-N 301.346 1.954 10 10 DDCE CCOC(=O)[C@H]1CCCN(C(=O)Nc2cc(O)c(O)c(O)c2)C1 217278786 DANHTKNKRIDNIX-VIFPVBQESA-N 324.333 1.610 10 10 DDCE CC[C@H](CO)N1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 79465330 YWENXRJQPYRWKV-OAHLLOKOSA-N 324.396 1.622 10 10 DDCE O=C1CC[C@@H](c2ccc(I)cc2O)N1 238702384 IOVCZFFGSINRBQ-QMMMGPOBSA-N 303.099 1.948 10 10 DDCE Cc1ncccc1NS(=O)(=O)CCOc1ccc(N)cc1 91495186 QIMWTTPATJTVEM-UHFFFAOYSA-N 307.375 1.793 10 10 DDCE CCCOc1ccc(CN2CCN(CCO)[C@@H](C)C2)c(O)c1 250073113 ODTXVNOHFNJRDC-AWEZNQCLSA-N 308.422 1.679 10 10 DDCE O=C1Cc2c(C(=O)N3C[C@@H](CO)Cc4ccccc43)ccnc2N1 615118772 FSTSFBIYFCUYEJ-NSHDSACASA-N 323.352 1.388 10 10 DDCE COC(=O)/C=C/c1ccc(N2CCO[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 368044012 NNBRBDUDMHAQQU-SVDKCWMDSA-N 304.302 1.759 10 10 DDCE COc1cc(O)c(CN2CCN(C(C)=O)C[C@@H]2C)cc1OC 271828873 OIOBPBMVOKJLRE-NSHDSACASA-N 308.378 1.462 10 10 DDCE Cc1ccc(C(=O)N2CCC(C(=O)N(C)C)CC2)c(O)c1O 271322908 XPAMBTZQPDHHPK-UHFFFAOYSA-N 306.362 1.347 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(C2CCC(C)CC2)C1 808516705 OJRSKQBOYJIEJD-YDGIUTOCSA-N 309.362 1.115 10 10 DDCE C[S@](=O)CC1CN(c2ccc(CN)c(C(F)(F)F)c2)C1 2166657788 RBBORXSUYHXAPC-FQEVSTJZSA-N 306.353 1.979 10 10 DDCE COc1ncc(C(=O)OCC(=O)C(C)=O)cc1Br 820994023 HWQPXBXXMYUPQF-UHFFFAOYSA-N 316.107 1.168 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)C[C@H](O)CN1C 900399317 DEKADZQJWBIAQD-FUHWJXTLSA-N 319.449 1.556 10 10 DDCE COCCN(Cc1ccnn1C)C(=O)Cc1ccc(N)cc1 831992927 MTDDUZGPSXYNNZ-UHFFFAOYSA-N 302.378 1.220 10 10 DDCE C[C@H]1[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)CCN1C 915390798 QMZWZBUSYDENMF-BBRMVZONSA-N 316.449 1.961 10 10 DDCE CCCNS(=O)(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 849417616 WKKRIOTWSCZOTK-LBPRGKRZSA-N 313.423 1.108 10 10 DDCE COc1ccc(N(C)C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 844352767 GYXKBXGGLIJGAU-ZDUSSCGKSA-N 312.435 1.803 10 10 DDCE C[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)NC(N)=O 847591765 ZCKNDVMXRHJWNC-JTQLQIEISA-N 305.378 1.334 10 10 DDCE CCOc1ccc(O)c(CN2CCS(=O)(=O)CC2(C)C)c1 843408561 HEZFWFPIEBBKDS-UHFFFAOYSA-N 313.419 1.800 10 10 DDCE CC1=C(C)C(=O)N(CCC(=O)NCc2c(O)cccc2F)C1=O 928709789 LNNHGRXODCWPFD-UHFFFAOYSA-N 320.320 1.243 10 10 DDCE C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H]1[C@H]2CN[C@H]1C2 925762124 HPVHQEWUJIEMET-FXECBMLZSA-N 314.477 1.524 10 10 DDCE CCOC(=O)CN(C)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] 759280986 ZGTUECJASYQPJD-VURMDHGXSA-N 322.317 1.780 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](NC=O)C(C)C)C2)cc1 862160201 WYKRBUBXSALBRV-BBRMVZONSA-N 319.405 1.161 10 10 DDCE O=C(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)B(O)OC2 863871373 LCHTXJIOPAXTPJ-UHFFFAOYSA-N 322.173 1.757 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])c1 777822560 FNAWXNBWGIEJGA-XGHHZIIFSA-N 320.345 1.988 10 10 DDCE C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ncnn1C 788972359 YZEUPEOJBABTKB-GFCCVEGCSA-N 319.384 1.642 10 10 DDCE O=C(NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41)c1cc(O)cs1 787928759 YXELWRQZOGKZMY-SACVHRCGSA-N 317.410 1.692 10 10 DDCE CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043411 SDMQCPOYOOUDIL-IJLUTSLNSA-N 312.410 1.898 10 10 DDCE CN(CC[S@@](C)=O)c1ccc(CN)c(Br)c1 398942898 LRZZDJIKCUVLPI-MRXNPFEDSA-N 305.241 1.723 10 10 DDCE CN[C@@H](C)c1ccc(N2CCSC[C@@H]2S(C)(=O)=O)cc1 90922745 OUIPYDXYJVCCCC-FZMZJTMJSA-N 314.476 1.891 10 10 DDCE Cn1ncc(Cn2ccc3c(c2=O)CNCC3)c1Br 2116617516 MAOHKLZVOZUSGJ-UHFFFAOYSA-N 323.194 1.038 10 10 DDCE O=C(CCN1CCOCC1)NCc1c(O)ccc2ccccc12 1639384676 PTKMRHFUENDAJM-UHFFFAOYSA-N 314.385 1.884 10 10 DDCE COCC(=O)N1CC[C@](C)(CNCc2ccc(OC)c(C)c2)C1 1733415576 FLMGNZXUUPZAKT-GOSISDBHSA-N 320.433 1.978 10 10 DDCE NC(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 1641093017 JJEQRRMSNCGACL-UHFFFAOYSA-N 304.277 1.266 10 10 DDCE COc1cccc(COCC(=O)NCc2cc(O)ccc2O)c1 1644752560 KMLAHXZJZKEQKH-UHFFFAOYSA-N 317.341 1.939 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCCN(C(=O)[C@H]2CCCS2(=O)=O)C1 1912161867 OIGFRSBIBYYEHO-GHMZBOCLSA-N 300.384 1.503 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](CN2CC[C@@H](CN=[N+]=[N-])C2)C1 1912167692 NUGXSABKVQRSFQ-RYUDHWBXSA-N 301.416 1.290 10 10 DDCE [N-]=[N+]=NCC1CCN(C(=O)[C@H]2CCCCS2(=O)=O)CC1 1912209495 ALQYZRYTFYQXFH-LLVKDONJSA-N 300.384 1.503 10 10 DDCE C[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H](O)Cc1ccccc1 1650896924 PGIACFGKTYIJNV-YGRLFVJLSA-N 319.332 1.959 10 10 DDCE CN1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc(O)c(O)c2)C1 1588289201 ARAYSCREYVMPOP-KBPBESRZSA-N 304.390 1.583 10 10 DDCE COCCCNC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1699391043 DPIOZEWYFCTDFF-LLVKDONJSA-N 321.381 1.593 10 10 DDCE CC(C)(C)OC(=O)N1CC(=O)N[C@@H](c2cccc(N)c2O)C1 1953020626 HLIJHNCDJXKREX-LLVKDONJSA-N 307.350 1.382 10 10 DDCE COc1ccc(O)c([C@H](C)N[C@@H](C)[C@H](C)S(C)(=O)=O)c1 1970398769 CYZDBJKJHCDONC-DCAQKATOSA-N 301.408 1.873 10 10 DDCE C[C@@H](NCc1cc(F)ccc1O)C1CCS(=O)(=O)CC1 2146113416 ZHZLQHMAMWIBLC-SNVBAGLBSA-N 301.383 1.834 10 10 DDCE C[C@H](N)c1ccc(N(C)CC(CO)CO)c(Br)c1 2033018008 HXCNDUAVCUTAQV-VIFPVBQESA-N 317.227 1.506 10 10 DDCE CN(C(=O)C1=C[C@@H](O)[C@H](N)C1)c1ccc(Br)cc1 2067769275 OBAPPVYIRQFODI-VXGBXAGGSA-N 311.179 1.430 10 10 DDCE OCc1ccc(N2CC[C@@H](O)C[C@@H]2CO)cc1Br 2080492460 RHOUYJFLZACKIB-VXGBXAGGSA-N 316.195 1.263 10 10 DDCE NCc1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl 2087857722 CFOCETFWRRNBSO-PHIMTYICSA-N 300.811 1.280 10 10 DDCE Oc1cc(Br)ccc1CN[C@@H]1CCC[C@H](O)[C@H]1O 2217643113 QMJPEKFXCDUNPK-MDZLAQPJSA-N 316.195 1.519 10 10 DDCE CN(C)C(=O)[C@@H]1C=CCN1c1ccc(CN)c(Br)c1 2265641343 QZAXRKHMKONXPL-ZDUSSCGKSA-N 324.222 1.741 10 10 DDCE CCc1ccc2c(c1)C(=C1SC(=S)N(N)C1=O)C(=O)N2 2295502217 DBJFSECMFKSSQV-UHFFFAOYSA-N 305.384 1.646 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2CC[C@H]2CC(=O)O)s1 2284557256 POFCRYCAUUIXHK-IONNQARKSA-N 315.420 1.918 10 10 DDCE CO[C@@H](C)[C@H](NC(=O)NCc1cnc(SC)s1)C(=O)O 2284504585 NSADQVRZYWTEPS-XPUUQOCRSA-N 319.408 1.152 10 10 DDCE CCN1C(=O)NC(=O)C(=CNCc2ccccc2Cl)C1=O 2297365973 QGKDPBOAZGXMQL-UHFFFAOYSA-N 307.737 1.412 10 10 DDCE Cc1ccc(CNC(=O)[C@@]2(C)CCN2)c(O)c1Br 2327591640 LFKIUUMSFIPZQS-CYBMUJFWSA-N 313.195 1.831 10 10 DDCE Cc1cccc(O)c1Cn1ncnc1I 2070060888 ADWMCJGETFJNRY-UHFFFAOYSA-N 315.114 1.945 10 10 DDCE COc1cc(Cl)cc(CN2C[C@H]3CS(=O)(=O)[C@H]3C2)c1O 2361696479 XARPLONIOJWLNN-CABZTGNLSA-N 317.794 1.283 10 10 DDCE CCS(=O)(=O)CCOc1ccc(N2CCC[C@@H](N)C2)cc1 43471054 LUQIEJBEAQDDTI-CYBMUJFWSA-N 312.435 1.428 10 10 DDCE CN(CCc1ccncc1)S(=O)(=O)Cc1ccc(N)cc1 48259256 ADWSROCBISPJKE-UHFFFAOYSA-N 305.403 1.668 10 10 DDCE C[C@@H](NC(=O)c1ccnnc1)c1ccc(N2CCOCC2)cc1 130860201 ZXOAGKCXASWQJU-CYBMUJFWSA-N 312.373 1.804 10 10 DDCE C[C@H](N)c1ccc(N2CCNC(=O)[C@H]2C)cc1Br 235510994 XRKFBMSALAIPFB-DTWKUNHWSA-N 312.211 1.794 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 808502638 NJWLKRKSLBDMTA-NOZJJQNGSA-N 303.314 1.596 10 10 DDCE CC(C)C(=O)N1CCOc2ccc(N3CCOCC3)cc2C1 581789287 RODWLFOXDAOSHH-UHFFFAOYSA-N 304.390 1.900 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCO[C@@H](CF)C2)c([N+](=O)[O-])c1 840359724 WTBPJXHFBOVTMY-FHMRSRPSSA-N 324.308 1.956 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@H](O)C2CCOCC2)cc1 746134201 NHPIYEQFHICKGF-QGZVFWFLSA-N 320.433 1.937 10 10 DDCE O=C(O)COCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 743414501 ZSGLVFBMDPLONJ-ZDUSSCGKSA-N 323.345 1.001 10 10 DDCE Nc1ccc(Cc2noc([C@@]34[C@@H]5[C@H]6C(=O)[C@H]3[C@@H]3[C@@H]6C[C@@H]5[C@@H]34)n2)cc1 843161399 TTYJEAGCSHKZHF-CJHYQQOXSA-N 319.364 1.821 10 10 DDCE C[C@H](NC(=O)N1CC2CC1(CN)C2)c1ccc(N(C)C)cc1 851658280 AINTXFPKEWXSAH-POZPTJLLSA-N 302.422 1.946 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CO[C@H](C)C3)C2)cc1 852396714 NSMJQTTUUHMLTG-RDBSUJKOSA-N 319.405 1.751 10 10 DDCE C[C@@H]1COC2(CCC2)CN1Cc1cc2c(cc1O)OC[C@@H]2O 853541082 NREDOPCKMYMVPF-ABAIWWIYSA-N 305.374 1.961 10 10 DDCE C[C@@H](C(=O)NCc1ccc2cccnc2c1O)[C@@H]1CCC(=O)N1 862025560 XONYEZNMAOLFQP-MFKMUULPSA-N 313.357 1.471 10 10 DDCE CN(C)c1cc(F)c(CN2CCO[C@@H](CC(N)=O)C2)cc1F 862535312 ISDDTZCLECCZDV-NSHDSACASA-N 313.348 1.107 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc([N+](=O)[O-])cn1 773750892 XORZGVJYKNTYBA-SECBINFHSA-N 317.301 1.762 10 10 DDCE O=C(NC[C@@H](O)[C@@H]1CCCO1)c1cc2cc(O)c(O)cc2s1 899131170 NQIBBNHLFRPGPO-NEPJUHHUSA-N 323.370 1.582 10 10 DDCE [N-]=[N+]=NC1CN(C(=O)C2CN(C(=O)OCc3ccccc3)C2)C1 1882298382 QTGFDFUGWOTJTM-UHFFFAOYSA-N 315.333 1.776 10 10 DDCE COc1ccc(CNC(=O)c2cc(OC)cnc2F)c(O)c1 1155574893 QKZYPKKAGBUVFA-UHFFFAOYSA-N 306.293 1.874 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cccc(-n2cncn2)n1 1303195109 PWSOAMIFZXOREZ-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cccc(-n2cccn2)n1 1156881202 UMTCURVDLZPULZ-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CC(C)(C)OC(=O)NC1CC(NC(=O)c2cccc(O)c2O)C1 1962857491 RMOVLPIXBMWUQI-UHFFFAOYSA-N 322.361 1.883 10 10 DDCE CCCS(=O)(=O)N1CCC[C@H]1C(=O)NCCCN=[N+]=[N-] 701338915 YBHYMTFQFVTMLO-JTQLQIEISA-N 303.388 1.007 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCC[C@@H]1N 1328607239 XNGDEDAQBFMJHZ-KBPBESRZSA-N 303.406 1.996 10 10 DDCE CNC(=O)[C@@H](C)N(C)Cc1cc(Br)cc(F)c1O 1916804837 YOQUJYCKGRMPSQ-SSDOTTSWSA-N 319.174 1.860 10 10 DDCE NC(=O)C[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CCO1 1335329714 NLWDFJDSIXRTSF-INIZCTEOSA-N 303.406 1.363 10 10 DDCE C[C@H]1CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1348597301 SLIXOUXLFWRDNC-LBPRGKRZSA-N 302.374 1.883 10 10 DDCE C[C@@H](NC[C@@H](O)CN(C)CC(F)(F)F)c1ccccc1O 1473722395 INGNXDFZZFQZEE-GHMZBOCLSA-N 306.328 1.898 10 10 DDCE NC(=O)c1cc(C(=O)NCc2ccc3cccnc3c2O)c[nH]1 1557120317 APGHLAMZPVQRKZ-UHFFFAOYSA-N 310.313 1.297 10 10 DDCE COc1ccc(CN[C@@H](C)CN(C)C(=O)c2cnn[nH]2)cc1C 1725493209 DWXFZWXZKKHPIO-LBPRGKRZSA-N 317.393 1.372 10 10 DDCE CCOCC(=O)N1C[C@@H](C)[C@@H](NCc2ccc(OC)c(C)c2)C1 1733843407 VMUKIFZRLZYMIT-ZBFHGGJFSA-N 320.433 1.977 10 10 DDCE Cc1occc(=O)c1OCC(=O)NCc1c(O)cccc1F 1645051030 SSNDCFDICTXBEZ-UHFFFAOYSA-N 307.277 1.488 10 10 DDCE C[C@H](NC(=O)CC(C)(C)C)C(=O)NCc1cc(O)ccc1O 1651225829 ZTHOPKOTWAEYNN-JTQLQIEISA-N 308.378 1.655 10 10 DDCE CC(C)[C@H]1CCN(S(=O)(=O)CCOc2ccc(N)cc2)C1 158211140 ZTSCPBYENKWDBP-ZDUSSCGKSA-N 312.435 1.955 10 10 DDCE CCOc1cc(/C=C2/SC(=S)N(CCN)C2=O)ccc1O 31934909 JARCRSZGEKQZKQ-XYOKQWHBSA-N 324.427 1.951 10 10 DDCE CC(C)(C)OC(=O)NC1(CNCc2ccc(N)cc2)COC1 1931441335 BXRJOTRQFYMLIG-UHFFFAOYSA-N 307.394 1.652 10 10 DDCE O=S1(=O)CC[C@@H]1CNCc1cccc(Br)c1O 1945524882 BTHOIQAHNPAAJK-SECBINFHSA-N 320.208 1.431 10 10 DDCE CN[C@H](c1ccc(N(C)C)cc1)[C@H](O)CNC(=O)OC(C)(C)C 1977944971 LBOMUQBKNUEBGS-HUUCEWRRSA-N 323.437 1.899 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)c1ccc(O)c(O)c1 1984416117 VFPDFYIBBBFQMP-GHMZBOCLSA-N 322.361 1.741 10 10 DDCE CN(C(=O)CN1CCC(C2OCCO2)CC1)c1ccc(N)cc1 2145837836 UVUGFPOXLJKEOV-UHFFFAOYSA-N 319.405 1.317 10 10 DDCE CS(=O)(=O)N1CCC[C@H](N2CCC[C@H](N=[N+]=[N-])CC2)C1 2155558846 TVFXBYWCQLBTSA-RYUDHWBXSA-N 301.416 1.575 10 10 DDCE CCNCc1ccc(N(C)CC(C)(CO)CO)cc1Cl 689695402 GRHOUUHTAOZICO-UHFFFAOYSA-N 300.830 1.877 10 10 DDCE CC(F)(F)[C@H]1C[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2164452252 PPWDFPAXPJMNJX-PWSUYJOCSA-N 304.362 1.980 10 10 DDCE Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCc1c(O)cccc1O 1635847653 QYAVCWMWJMFYDQ-SECBINFHSA-N 303.362 1.933 10 10 DDCE C[C@H](NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1ccccc1O 1471199438 WRXWXYRUWRBPGT-GWCFXTLKSA-N 324.377 1.455 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1c1ccc2c(c1)CC[C@@H]2O 2184743506 KTJGOKITJUASFT-KBPBESRZSA-N 313.444 1.590 10 10 DDCE NC(=O)C[C@@H]1CCCN1c1ccc(CO)cc1Br 2257775240 UIDYJJAZCSRMJK-JTQLQIEISA-N 313.195 1.786 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccc(C)cn2)c1 493694158 VNUDKEZNQKYWIM-ALCCZGGFSA-N 310.357 1.821 10 10 DDCE CSc1ncc(CNC[C@@H]2[C@H]3CC[C@H](O3)[C@H]2CO)s1 2334410687 HHEYSRWJTQKXKD-YFKTTZPYSA-N 300.449 1.741 10 10 DDCE COC(=O)CCN1C(=O)/C(=C/c2cccnc2)SC1=S 8664044 RPTGGMMQNHEJNJ-YFHOEESVSA-N 308.384 1.846 10 10 DDCE CC(=O)N(C(=O)C(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccc(N)cc1 170318627 HLJDALVQMKKPNI-RYUDHWBXSA-N 317.389 1.938 10 10 DDCE O=c1cc(-c2cc(O)c(O)c(O)c2O)oc2cc(O)ccc12 6567222 LDAGXWNIKJJGNC-UHFFFAOYSA-N 302.238 1.988 10 10 DDCE biogenic,in-vitro COc1cc(O)c(CN2CC[C@@](O)(C(F)(F)F)C2)cc1OC 180405729 MDFQUFXKIJBEFA-ZDUSSCGKSA-N 321.295 1.909 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCc2ncnn2C)c1 76793616 MMXQFDYYPKEDRM-SECBINFHSA-N 305.338 1.090 10 10 DDCE COc1ccc(O)c(CNC(=O)c2cnccc2N(C)C)c1 183976867 KZXNGEYVSDFFQU-UHFFFAOYSA-N 301.346 1.792 10 10 DDCE COc1ccc(N(C)[C@@]2(CN)CCC[C@@H]2S(C)(=O)=O)cc1 86677022 DZYPXKDVOFANLD-LSDHHAIUSA-N 312.435 1.426 10 10 DDCE O=C(c1cc(O)nc(O)c1)N1CC[C@H](Oc2ccccn2)C1 238864611 LMDAZXVRAFLHOZ-NSHDSACASA-N 301.302 1.181 10 10 DDCE COc1cc(N2CC[C@@]3(CNC(=O)C3)C2)c([N+](=O)[O-])cc1OC 279215862 YRLHSDADYOYFAZ-OAHLLOKOSA-N 321.333 1.328 10 10 DDCE CC(=O)C(=O)CSc1nc2cc(Br)cnc2[nH]1 808010605 FIRGQPFXEXXPIC-UHFFFAOYSA-N 314.164 1.971 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 808540055 LYVPCUFMTRTGFQ-NSHDSACASA-N 318.247 1.310 10 10 DDCE COC(=O)C[C@@H](NC(=N)N)c1cc(Br)ccc1O 575281528 PLUYUISXGYFVCN-MRVPVSSYSA-N 316.155 1.242 10 10 DDCE O=C(Cn1ccc2c(-c3cccnc3)nccc21)N1CCNCC1 821285402 YZLIKOFSVMMHHJ-UHFFFAOYSA-N 321.384 1.530 10 10 DDCE CN(C)CCN(C(=O)c1ccnc2c1CC(=O)N2)c1ccccc1 667568547 HKGDNIQQWMORHE-UHFFFAOYSA-N 324.384 1.785 10 10 DDCE C/C=C\[C@H](O)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 900999475 USQKITNUZZCPAD-NQHOJNORSA-N 308.353 1.420 10 10 DDCE CS(=O)(=O)N[C@H]1CCN(Cc2c(O)ccc3ccncc23)C1 735073450 MKDIKEFGIMUALW-LBPRGKRZSA-N 321.402 1.064 10 10 DDCE CN(C)c1ccc(/C=C\CN2CC[C@H](N3CCNCC3)C2)cc1 843123617 SXMBOCNPKHIIET-LLHWWHOWSA-N 314.477 1.745 10 10 DDCE COc1cccc([C@H](C)NC[C@H]2CCCCN2CCO)c1O 846170477 OEZJWUNFJANIMH-UONOGXRCSA-N 308.422 1.898 10 10 DDCE COc1ccc(N2CC[C@@H](N3C(=O)CN(C4CC4)C3=O)C2)cc1 849357705 OOGQABHHBIMSQP-CQSZACIVSA-N 315.373 1.701 10 10 DDCE CC1(C)CNC(=O)[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 912644642 MVTXSWYJGDTVDH-GFCCVEGCSA-N 320.370 1.567 10 10 DDCE O=C(NCCOC1CCOCC1)NCc1c(O)cccc1F 927507007 OCYVGCGHEMHMEJ-UHFFFAOYSA-N 312.341 1.526 10 10 DDCE CN(C)c1ccc(CNC[C@]2(OCCO)CCOC2)cc1F 850357930 BUHBXAFTEGTLBC-MRXNPFEDSA-N 312.385 1.149 10 10 DDCE O=C1OC[C@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]12 862545200 KGAFUPGKFGRDNR-ZIAGYGMSSA-N 320.364 1.267 10 10 DDCE O=C(C(=O)N1OC2CCC1CC2)N1Cc2cccc(O)c2C1 1118967350 YDQWNHBVPPMIHD-UHFFFAOYSA-N 302.330 1.319 10 10 DDCE COc1ccc(CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(O)c1OC 893942392 GISHWBDUQJJLHB-ZKYQVNSYSA-N 320.389 1.495 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-n2cncn2)nc1 1141465507 LBEYJBZXPPTJOS-UHFFFAOYSA-N 311.301 1.255 10 10 DDCE Cn1nc(-c2cccnc2)cc1C(=O)NCc1c(O)cccc1O 1156885871 PWDUPIVCZDULOL-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE CC(C)(C)OC(=O)N1CCS[C@@H](C(=O)NCCN=[N+]=[N-])C1 1885557026 JOISIMLVQCPXKE-SECBINFHSA-N 315.399 1.765 10 10 DDCE C[C@H](O)CNC/C=C\CNC(=O)c1ccc(N=NC(N)=O)cc1 1321430864 SCASJUIUADDPIW-JECSTSBJSA-N 319.365 1.105 10 10 DDCE CN1C[C@@H]2CN(c3ccc(CN)cc3Br)C[C@H]2C1 707070812 GLSFIRLHMMIMRT-VXGBXAGGSA-N 310.239 1.906 10 10 DDCE CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2C[C@H]2C)cc1 1257234818 XBIUQNYFGBSRBI-UKRRQHHQSA-N 317.433 1.921 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC2(C(F)F)CC2)cc1 697432458 PFWAYCVQQFIHPT-UHFFFAOYSA-N 306.334 1.365 10 10 DDCE CC(C)CN[C@@H](CO)CNC(=O)c1ccc(N=NC(N)=O)cc1 1507268631 UXDVETBUXZCMKK-CYBMUJFWSA-N 321.381 1.185 10 10 DDCE CC(C)(C)OC(=O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1465207258 QYGVKMSZKKDORL-UHFFFAOYSA-N 306.322 1.921 10 10 DDCE CC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(O)c(O)c1 1624677903 PKSVBXQNJQPULP-OAHLLOKOSA-N 313.353 1.957 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1 1628028956 UKJSTSHBMACWFD-LLVKDONJSA-N 324.362 1.156 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)[C@H]1CCC12CNC2 2123313715 FDAYLPYPDVLEGB-NSHDSACASA-N 302.783 1.539 10 10 DDCE NC(=O)C12CCC(CC1)N2C(=O)/C=C\c1ccc(O)c(O)c1 1636421955 WFOMTSBUFCVOHB-RQOWECAXSA-N 302.330 1.120 10 10 DDCE Cn1ncc(C(F)(F)F)c1C(=O)NCc1ccc(O)c(O)c1 1630273449 OKSANCLLEBLQAN-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE COc1cccc(CNC(=O)Cc2cnn3ccccc23)c1O 1631540108 JLBYCKXJBBPKCY-UHFFFAOYSA-N 311.341 1.907 10 10 DDCE Nc1ccnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1 1632783111 OPVYSWRHAKDICP-UHFFFAOYSA-N 316.342 1.615 10 10 DDCE C[C@H]1[C@H](N2CCCC2)CCN1C(=O)Cc1ccc(O)c(O)c1 1634893660 NHMUBYWRUNRTQN-GXTWGEPZSA-N 304.390 1.726 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)CC2CCC2)cc1C 1732637451 LWIHBWZCJFSOMF-MRXNPFEDSA-N 320.433 1.761 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1c[nH]nc1[N+](=O)[O-] 1643283110 GPVINGQXPJFMSI-UHFFFAOYSA-N 313.273 1.502 10 10 DDCE CC(C)O[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[C@@H](CN=[N+]=[N-])C1 1912203216 OXYVMNHNUKPGBI-SDDRHHMPSA-N 302.400 1.209 10 10 DDCE CCO[C@@H]1C[C@H]1C(=O)N(C)CCNCc1ccc(OC)c(C)c1 1691267869 SECOJIPANIDMEF-NVXWUHKLSA-N 320.433 1.977 10 10 DDCE CC1(CNCc2cc(F)ccc2O)CCS(=O)(=O)CC1 1967869308 JTCAVXXNNBDNGC-UHFFFAOYSA-N 301.383 1.836 10 10 DDCE CC(C)(C)OC(=O)N1CCOC[C@@](N)(c2ccccc2O)C1 1933869848 ALIXAYOIUYPFJA-MRXNPFEDSA-N 308.378 1.814 10 10 DDCE CN(CC(F)(F)CO)c1ccc(CN)cc1Br 1945721309 KMWZMBGIJMHXQH-UHFFFAOYSA-N 309.154 1.972 10 10 DDCE CC(C)(C)OC(=O)N1CC(=O)N[C@H](c2cc(N)ccc2O)C1 1952966558 XJWUNMVEFJMGMS-NSHDSACASA-N 307.350 1.382 10 10 DDCE NCc1cc(F)c(N2CC=C[C@@H](O)C2)cc1Br 2000827094 FKVNHCAMJSPXBM-SECBINFHSA-N 301.159 1.784 10 10 DDCE OCc1ccc(N2C[C@@H]3OCCO[C@H]3C2)cc1Br 2032413961 WSOIKNGAQBUHOM-STQMWFEESA-N 314.179 1.545 10 10 DDCE CNCc1ccc(N2CC[C@H](NS(C)(=O)=O)C2)c(Cl)c1 703137643 JWXZTYSZQVFOQO-NSHDSACASA-N 317.842 1.187 10 10 DDCE C[C@H](O)[C@H](O)CNCc1cc(Cl)cc(Br)c1O 708055988 HYBYURCRYUSBPC-QUBYGPBYSA-N 324.602 1.639 10 10 DDCE C[C@H](C(=O)O)N(C)C(=O)C=Cc1ccc(N2CCOCC2)cc1 2053807964 GBUZAIAIVVSEJL-CYBMUJFWSA-N 318.373 1.468 10 10 DDCE CN(C[C@@H]1CCSC1)S(=O)(=O)Cc1ccc(N)cc1 718392606 HSIYHGGUZHCGRO-LBPRGKRZSA-N 300.449 1.784 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)CC3(O)CCC3)c2n1 2065021160 VNESTPJVYNSGPA-JTQLQIEISA-N 304.350 1.167 10 10 DDCE COC(=O)Cc1cc(O)n2nc(C3CCC3)c(C(=O)OC)c2n1 2080934039 BHTOVLXOYKRHPD-UHFFFAOYSA-N 319.317 1.205 10 10 DDCE CCOC(=O)c1c(C(F)F)nn2c(O)cc(CC(=O)O)nc12 2080935446 PGNQBVRADOFDED-UHFFFAOYSA-N 315.232 1.176 10 10 DDCE CN(Cc1ccc(Br)cc1O)C[C@H]1COCCN1 2042376776 ZKCPRVGCYGZDTO-LBPRGKRZSA-N 315.211 1.575 10 10 DDCE [N-]=[N+]=N[C@@H]1CCC[C@H]1NC(=O)CS[C@@H]1CCS(=O)(=O)C1 2234177034 PITOJQBWGUXBNG-OPRDCNLKSA-N 318.424 1.254 10 10 DDCE Cc1cc(NS(=O)(=O)CC(C)(C)C(=O)O)c(C)cc1O 2290065232 FQDYTURTLBWLSG-UHFFFAOYSA-N 301.364 1.862 10 10 DDCE NC(=O)[C@@H]1CCN(C(=O)/C=C/c2cnccn2)c2ccccc21 492285695 ACNYEDYOOGTFLI-VBROQKIQSA-N 308.341 1.496 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1Cl 2336350067 PHJYBDDLSGMCGT-JRKPZEMJSA-N 300.811 1.593 10 10 DDCE C[C@H](c1ccc(Cl)cc1O)N1C[C@@H]2[C@H](C1)CS2(=O)=O 2336552077 CBKDDSRYLNBJRY-JRKPZEMJSA-N 301.795 1.835 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)COCC[C@H]2C)s1 2350651711 DEYLVHGDOOQJAF-PRHODGIISA-N 302.421 1.834 10 10 DDCE CS(=O)(=O)N1CCC(Sc2nccs2)(C(=O)O)CC1 2351996805 NSYHOWAXFMELMB-UHFFFAOYSA-N 322.433 1.114 10 10 DDCE O=C1C[C@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CN1 117975646 QCHYWBBCTWYYDU-UONOGXRCSA-N 318.373 1.036 10 10 DDCE CN[C@@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)cc1Cl 2358207379 WSZUMXBITBTIID-IYMWITQMSA-N 302.777 1.500 10 10 DDCE CCc1c(-c2ccoc2C)nn([C@H]2CCS(=O)(=O)C2)c1N 37507710 COBGCFUJYZAZLJ-JTQLQIEISA-N 309.391 1.956 10 10 DDCE NS(=O)(=O)CCCCCCNCc1cccc(Cl)c1O 2364233561 BLWYXPNPULLLIS-UHFFFAOYSA-N 320.842 1.984 10 10 DDCE COc1cc(Cl)c(N2CC[C@@](CO)(OC)C2)c(OC)c1 2368106363 RWLDRVPLVSSVPO-CQSZACIVSA-N 301.770 1.945 10 10 DDCE CCOc1cc(O)ccc1NS(=O)(=O)c1ccnn1CC 276909803 OSLVWSVJHLPLST-UHFFFAOYSA-N 311.363 1.808 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)CN1CC(=O)NC1=O 282475515 LBTKERMMVUXSRZ-UHFFFAOYSA-N 319.361 1.073 10 10 DDCE COc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c(O)c1 803291814 CTNYTLPVUGTGOF-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 808502634 NIWHEQMPQBIEDN-GHMZBOCLSA-N 320.345 1.010 10 10 DDCE Cc1nc([C@](C)(NC(=O)c2cccc(O)c2O)C2CC2)no1 817623038 FRGMWTMYLHMHES-OAHLLOKOSA-N 303.318 1.844 10 10 DDCE Nc1ccc(CON2C(=O)COc3cc(C(=O)O)ccc32)cc1 821296549 FGKQWBQFUFMQKC-UHFFFAOYSA-N 314.297 1.824 10 10 DDCE NCCc1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)s1 722228593 WLOLOEQVGFLGBI-UHFFFAOYSA-N 316.379 1.895 10 10 DDCE CO[C@@H]1CCn2cc(C(=O)NCc3ccc(O)cc3O)nc2C1 910955847 HBFDXBOIHVPQHK-GFCCVEGCSA-N 317.345 1.186 10 10 DDCE Cc1cc(O)c(CN(C)CC(=O)N2CCNCC2)c(Cl)c1 843044078 CHFBFIZLSSGFHM-UHFFFAOYSA-N 311.813 1.218 10 10 DDCE COC(=O)/C=C/c1ccc(N2CCO[C@H](CF)C2)c([N+](=O)[O-])c1 840359730 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307.774 1.709 10 10 DDCE COc1ccc(Br)c(CN[C@H](C)CC(N)=O)c1O 1964047306 CMFBPIPWIHIMQI-SSDOTTSWSA-N 317.183 1.517 10 10 DDCE CN(Cc1nccs1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1261860441 XTMQVPIFDRSPKD-UHFFFAOYSA-N 317.370 1.350 10 10 DDCE COC(=O)c1nc(=NCc2ccc(N3CC=CC3)cc2)cc[nH]1 1458195719 DMBRPCXJBLHUHW-UHFFFAOYSA-N 310.357 1.673 10 10 DDCE Cc1nc(=NC(=O)c2cc3cc(O)c(O)cc3s2)n(C)[nH]1 1558962958 QYXUJFSRSHLEOV-UHFFFAOYSA-N 304.331 1.424 10 10 DDCE C[C@H](NC(=O)c1cccc(O)c1O)c1nc(C(F)(F)F)n[nH]1 1636091846 JNBJWYSVXGOJGQ-YFKPBYRVSA-N 316.239 1.726 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@H]2CCCN2C)cc1C 1663856541 YXBJBTDWNMKFNH-MRXNPFEDSA-N 319.449 1.646 10 10 DDCE CNCc1ccc(N2CC(F)(CO)C2)cc1Br 2005098706 ZBZUQSKYFZZEHM-UHFFFAOYSA-N 303.175 1.689 10 10 DDCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)C(=O)O 1977839190 KKAVXHFJDNKXPG-CYBMUJFWSA-N 323.393 1.559 10 10 DDCE Cn1ncc(C(=O)NCCN=[N+]=[N-])c1CNC(=O)OC(C)(C)C 1985095011 XQGQLUOIKGBMGW-UHFFFAOYSA-N 323.357 1.485 10 10 DDCE CC(C)(C)OC(=O)NCc1ncc(C(=O)NCCN=[N+]=[N-])cn1 1985095077 YMMFFOJHFOKDSZ-UHFFFAOYSA-N 321.341 1.541 10 10 DDCE Nc1ccc(CC(=O)NCCn2cc(Br)cn2)cc1 311522931 PQUCCSKALKOPJM-UHFFFAOYSA-N 323.194 1.587 10 10 DDCE C[C@@H]1C[S@](=O)CCN1c1cc2c(cc1Cl)[C@@H](O)C(=O)N2 2171966098 UEENOBLKCKDRKD-VBNKADACSA-N 314.794 1.283 10 10 DDCE COc1ncc(S(=O)(=O)N(C)Cc2ccc(N)cc2)s1 380492454 CEOVXYNKZGTGNH-UHFFFAOYSA-N 313.404 1.555 10 10 DDCE C[C@H](C[S@@](C)=O)N(C)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 398898629 BCERFCDJWCROQP-VBNKADACSA-N 315.826 1.495 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@@H]3CCN(C)C)c2n1 2062330322 UKCKPFDITLMMCS-GFCCVEGCSA-N 317.393 1.300 10 10 DDCE CN(C)C(=O)CCN(C)c1ccc(CO)cc1Br 2068208325 CBEXMQPBKPDLMA-UHFFFAOYSA-N 315.211 1.856 10 10 DDCE O=C(O)[C@H]1C[C@@H](O)CN(Cc2cc(Cl)cc(Cl)c2O)C1 2201043554 KHGDQYQXDGTKPD-WCBMZHEXSA-N 320.172 1.966 10 10 DDCE Nc1ccc(NC(=O)CN2CCC(C3OCCO3)CC2)cc1 2089596517 JVYIGUFUPFSSLK-UHFFFAOYSA-N 305.378 1.292 10 10 DDCE Oc1cccc(CN=c2[nH]nc(Br)s2)c1O 2210583501 WGDOZHUCAUDJQP-UHFFFAOYSA-N 302.153 1.746 10 10 DDCE CSc1ncc(CNC(=O)Cn2cccc2C(=O)O)s1 2284537277 MYKUCXQMOMQBAM-UHFFFAOYSA-N 311.388 1.681 10 10 DDCE N[C@H](CC(=O)O)c1cc(I)ccc1O 44216823 DXUZMZDRNCAFKL-SSDOTTSWSA-N 307.087 1.471 10 10 DDCE C[C@@H]1OCC[C@H]1S(=O)(=O)NCc1ccc2c(c1)CCCN2C 135553740 ZHMMZIQWUCNHIH-BLLLJJGKSA-N 324.446 1.666 10 10 DDCE N[C@@]1(C(=O)O)CCc2ccc(I)c(O)c21 238631342 IRGGQIMJKUQDGO-JTQLQIEISA-N 319.098 1.182 10 10 DDCE O[C@@H]1[C@H]2C[C@@H]3CN(Cc4ccc(N5CCOCC5)cc4)[C@H]1[C@H]3C2 249603866 QYPZJKQOGSJBAS-HAYURNKSSA-N 314.429 1.724 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)C[C@]2(O)CCCN(C)C2)c1 901127523 JYWPYESGSQZNHW-SJKOYZFVSA-N 322.405 1.425 10 10 DDCE C[C@H](C(=O)N(CC(=O)O)Cc1ccccc1O)[C@@H]1CCCO1 911490225 YMXXLUQQILLNSS-FZMZJTMJSA-N 307.346 1.621 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCNC[C@H]1C 841825180 YHKKQWOKXYOIKS-CZUORRHYSA-N 304.438 1.858 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H](CN)C(F)(F)F)cc1F 848594992 INDIDJPFWAEFDI-NSHDSACASA-N 322.306 1.581 10 10 DDCE C[C@@]12COC[C@H]1CN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2 853859763 XSJKDKJXYRUDHC-RFAUZJTJSA-N 319.317 1.398 10 10 DDCE Cc1cc(Br)c(O)c(CN[C@@]2(CO)CCOC2)c1 757978805 SQKYCBPSRRVPEW-CYBMUJFWSA-N 316.195 1.704 10 10 DDCE CC(C)[C@@H](NC(=O)NCc1c(O)cccc1F)c1nncn1C 922422095 FWCMHLPFVLTXQX-CYBMUJFWSA-N 321.356 1.856 10 10 DDCE Cc1cccc(CN[C@H]2CCN(c3ccc4nncn4n3)C2)c1O 862481497 IBCFCYAILIMDLT-AWEZNQCLSA-N 324.388 1.507 10 10 DDCE Cc1cc(Br)cc(CNCCOCCCN)c1O 863486337 GICRPDWIZQYHTL-UHFFFAOYSA-N 317.227 1.918 10 10 DDCE NC(=O)C[C@@H]1CN(Cc2c(O)ccc3ccncc23)CCO1 863326423 NSXNLRLDZDAPKO-GFCCVEGCSA-N 301.346 1.017 10 10 DDCE CN(OCC(F)(F)F)C(=O)C(=O)N1Cc2cccc(O)c2C1 1119022573 GPTZDYPDQMHAQE-UHFFFAOYSA-N 318.251 1.187 10 10 DDCE CN(C)C(=O)C1(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 788293169 NBMRTAIHOYEZEQ-UHFFFAOYSA-N 315.417 1.554 10 10 DDCE CNc1ccc(C(=O)NCc2ccc(O)cc2O)cc1[N+](=O)[O-] 1142529765 DUUAUWFXMRWNEQ-UHFFFAOYSA-N 317.301 1.978 10 10 DDCE O=C(CC1CS(=O)(=O)C1)NCCCSc1nccs1 1348550018 QXDMNHMVVNRMRL-UHFFFAOYSA-N 320.461 1.176 10 10 DDCE C[C@H]1OC(=O)N[C@@H]1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1440711504 BSQMHCLVWRTQRD-DOMZBBRYSA-N 317.389 1.742 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)Cc1ccccc1F 1471899231 VKUSBAKCBKKONM-ZDUSSCGKSA-N 319.332 1.499 10 10 DDCE CC(C)Oc1cc(CNCCCO)ccc1N1CCNCC1 212158847 IPQZVXNBBLWDIP-UHFFFAOYSA-N 307.438 1.355 10 10 DDCE C[C@H](NC(=O)N1C[C@H]2COC(=O)[C@H]2C1)c1ccc(N(C)C)cc1 1634436516 YTTDXCCYICICQX-WHOFXGATSA-N 317.389 1.628 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)cc1 1633594999 DGSBUDYYXQELIY-UHFFFAOYSA-N 301.298 1.814 10 10 DDCE Cn1nccc1[C@@H]1CCCN1C(=O)Cc1ccc(O)c(O)c1 1645227054 CFOIPOPTLILABZ-ZDUSSCGKSA-N 301.346 1.738 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCN(CCS(=O)(=O)N2CCCC2)C1 1912160941 CJSNDGCWXYZQFC-GFCCVEGCSA-N 301.416 1.434 10 10 DDCE c1cc(N2CCCC2)ccc1CN1CCN2CCOC[C@@H]2C1 1204326533 ZGJZOLWUXJHAMX-SFHVURJKSA-N 301.434 1.803 10 10 DDCE COCC(COC)(COC)NCc1ccc(Cl)cc1O 1967705524 VAVZIDCZGFGOIL-UHFFFAOYSA-N 303.786 1.813 10 10 DDCE NCc1ccc(N2CC[C@H]3[C@H](C2)[C@@H]3CO)cc1Br 2032183869 FNYMBPGNFXKLSK-RWMBFGLXSA-N 311.223 1.972 10 10 DDCE CNCc1ccc(N(C)[C@@H](C)CC(N)=O)c(Br)c1 2033936309 QUSRVLRBXURBRC-VIFPVBQESA-N 314.227 1.869 10 10 DDCE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)NCc1ccccc1O 301015042 MMWDIZLPBLXDDJ-GFCCVEGCSA-N 324.377 1.548 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1CO[C@H]2COC[C@@H]12 2040326832 UDABLVZUXISFKA-WCQGTBRESA-N 314.179 1.658 10 10 DDCE NCc1ccc(N2CCSC[C@H]2CO)cc1Br 387778255 JKSRLVUHPQKDJL-LLVKDONJSA-N 317.252 1.822 10 10 DDCE CNC(=O)CN(C)c1ccc([C@@H](C)NC)c(Br)c1 723183745 XRSMQOFJRKIGQB-SECBINFHSA-N 314.227 1.912 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@@]3(C)CCCC[C@H]3O)c2n1 2064057547 ZIEDWWVZOWQPPE-MLGOLLRUSA-N 318.377 1.414 10 10 DDCE O=S1(=O)C[C@H]2CN(c3ccc(CO)cc3Cl)C[C@@H]2C1 2087856796 QRSWSWUNKPFZEL-GHMZBOCLSA-N 301.795 1.313 10 10 DDCE O=S1(=O)C[C@@H]2CCN(Cc3ccc(Cl)cc3O)[C@H]2C1 2094881799 AWKGHVACYTVMOM-JQWIXIFHSA-N 301.795 1.665 10 10 DDCE O=[N+]([O-])c1cc(NS(=O)(=O)[C@@H]2CCC[C@@H]2F)ccc1O 2236168550 QGGNIMUIDPZMST-GZMMTYOYSA-N 304.299 1.933 10 10 DDCE Cc1cc([C@H](C)O)ccc1N1CC(S(=O)(=O)C(F)F)C1 2240833483 OJNKMLWCTNUKNG-VIFPVBQESA-N 305.346 1.874 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@@H](F)[C@H](C(=O)O)C2)s1 2284507714 MTFYGPYZQVJSGE-HTQZYQBOSA-N 319.383 1.429 10 10 DDCE Cc1ccc(CNC(=O)[C@H]2C[C@H](C)N2)c(O)c1Br 2327804045 KQGNOWICGVBNBK-WCBMZHEXSA-N 313.195 1.830 10 10 DDCE COC1CN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C1 310633012 OKBKLVASPZNYFS-LLVKDONJSA-N 312.167 1.236 10 10 DDCE CCN(CC(N)=O)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] 191752888 DTVDORPBUNHAQR-FNORWQNLSA-N 307.306 1.093 10 10 DDCE C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[S@@](=O)C1 365442690 LAAIFWSTZYDFDB-OYHNWAKOSA-N 322.474 1.724 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccccc1S(=O)(=O)C(C)C 808503059 DEFCUOXXMIAPGK-UHFFFAOYSA-N 312.343 1.184 10 10 DDCE Cc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nnn1C(C)C 816028618 KIZIYWRORYPEOZ-SNVBAGLBSA-N 318.377 1.940 10 10 DDCE COc1cc(O)ccc1NS(=O)(=O)C[C@H](OC)C1CC1 901703171 CVJBUDYNVKRBLL-ZDUSSCGKSA-N 301.364 1.568 10 10 DDCE CO[C@@]1(CN[C@H](C)c2ccc(C)cc2O)CCS(=O)(=O)C1 903365332 MBZNETWKVATEQB-IUODEOHRSA-N 313.419 1.555 10 10 DDCE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCF 901327601 QDZCLZYMIUDTHO-UHFFFAOYSA-N 303.717 1.907 10 10 DDCE COC(=O)[C@@H](F)CNC(=O)c1cc(C)n(-c2ccccn2)c1C 838067657 OZYQTQUHLKFLJX-ZDUSSCGKSA-N 319.336 1.730 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@H]2CCN(S(C)(=O)=O)C2)cc1 846030446 DKAWKABSZFFRBU-RGDDUWESSA-N 323.462 1.389 10 10 DDCE C/C(=C\C(=O)NCc1cc(C)ccc1O)CN1CCOCC1 913000860 XXYBLCIXZNTKBL-GXDHUFHOSA-N 304.390 1.595 10 10 DDCE COc1ccc(CNC[C@@]2(OC)CCS(=O)(=O)C2)cc1C 922616364 VMUMGJGTHJJVQW-HNNXBMFYSA-N 313.419 1.297 10 10 DDCE C[C@@H]1C[C@H](NC(=O)NCc2c(O)cccc2F)CN1C1CC1 921384057 IXJGLQXNGCBCGJ-MNOVXSKESA-N 307.369 1.956 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3[C@@H]4CCCO[C@@H]43)C2)cc1 855225443 IYZBPDRPIVRUQP-SJWGOKEGSA-N 316.401 1.815 10 10 DDCE CN1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc(O)c1O 854642063 IKMNAUZBZWFDSE-STQMWFEESA-N 306.362 1.033 10 10 DDCE CC[C@H]1NC(=O)N(Cc2ccc(N3CCC(O)CC3)cc2)C1=O 853089762 SHEJURPMXRZZFC-OAHLLOKOSA-N 317.389 1.478 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H](C)NC3CC3)C2)cc1 852843628 CWHFQCYXHCZFNM-JSGCOSHPSA-N 303.406 1.531 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cnn(C)c3C)C2)cc1 855232552 RYWUMSGXMUXJQO-CYBMUJFWSA-N 314.389 1.746 10 10 DDCE COC(=O)/C=C/c1ccc(N2[C@H]3COC[C@H]2C3)c([N+](=O)[O-])c1 858577167 PZPHLVKYOPMLJC-WEPHUFDCSA-N 304.302 1.759 10 10 DDCE Nc1ccc(NC(=O)C(=O)NC2([C@H]3CCCCO3)CCC2)cc1 868317183 FKEYLVGKYMCEOK-CQSZACIVSA-N 317.389 1.815 10 10 DDCE C[C@@H](NC(=O)c1ccc2c(c1)B(O)OC2)c1ccc(N(C)C)cc1 863878492 GTSSAJMUUSWNKY-GFCCVEGCSA-N 324.189 1.461 10 10 DDCE CC(C)NC(=O)N1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 871203840 SUSAUKXAARMWQS-AWEZNQCLSA-N 317.389 1.817 10 10 DDCE CN(CCN1CCCS1(=O)=O)Cc1cccc(Cl)c1O 775735812 YGGZXOVWFZLAHH-UHFFFAOYSA-N 318.826 1.513 10 10 DDCE CCOC(=O)CN(C)C(=O)c1cc2cc(O)c(O)cc2s1 895932908 DMDKPLHWEZSBNQ-UHFFFAOYSA-N 309.343 1.948 10 10 DDCE COC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccc2c(c1)CCO2 895861017 BAUKWUVJPFSXFD-GJZGRUSLSA-N 305.374 1.822 10 10 DDCE C[C@@H]1CC=CC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 890768308 DMOGYWYJTMEFAU-ZWNOBZJWSA-N 324.402 1.848 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)OCCC1CS(=O)(=O)C1 790657024 WURKELUIKKFYCU-RQOWECAXSA-N 312.343 1.089 10 10 DDCE CSC1(C(=O)NCCN=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1 1887374778 JVZVBGVQERAVOG-UHFFFAOYSA-N 315.399 1.765 10 10 DDCE CNC(=O)NCCCNCc1cccc(Br)c1O 1964611182 AKKAAUPWUXNJCD-UHFFFAOYSA-N 316.199 1.563 10 10 DDCE CN[C@@H](C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 1329822988 HULVAKVTTRAEOM-KBPBESRZSA-N 320.437 1.571 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)NCc2ccccc2O)O1 1964889918 OHMOQHOHMCRKOM-ZDUSSCGKSA-N 322.361 1.949 10 10 DDCE COc1ccnc(OC)c1C(=O)NCc1ccc(O)cc1O 1469159743 MPAPRUFLTWRDGD-UHFFFAOYSA-N 304.302 1.440 10 10 DDCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nnc2n1CCC2 1545080716 IIIVQSMPHSPPSK-VIFPVBQESA-N 302.334 1.055 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)nc1 1557084730 MEWADLCMBIDZBW-UHFFFAOYSA-N 302.286 1.209 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](O)c1ccccn1 1567467195 DKEBCFVPHWHYRB-BONVTDFDSA-N 302.330 1.274 10 10 DDCE CCNC(=O)NCCNC(=O)c1cc2cc(O)c(O)cc2s1 1569499312 YTFMBFSCYAEZLE-UHFFFAOYSA-N 323.374 1.361 10 10 DDCE COc1ccc(CNC2(CNC(=O)c3ncc[nH]3)CC2)cc1C 1733244152 XTOWIZDKFLGUSD-UHFFFAOYSA-N 314.389 1.779 10 10 DDCE [N-]=[N+]=N[C@@H]1CCN(CCS(=O)(=O)N2CCCCCC2)C1 1912203837 SMLHXCIMFJGFNI-GFCCVEGCSA-N 301.416 1.577 10 10 DDCE CC[C@H]1SC(=S)N(CC(=O)NCCc2ccccc2)C1=O 11635667 FSERDDGGSZIBKQ-GFCCVEGCSA-N 322.455 1.984 10 10 DDCE COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(O)c1 207098150 KWUDEFYGGUEUGX-ZROIWOOFSA-N 310.309 1.862 10 10 DDCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(N)cc2)cc1 1858617284 PYZRFYBWWHUXPA-UHFFFAOYSA-N 307.331 1.328 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H](O)[C@H](F)C2)c(Br)c1 1944294412 WVIWURLKRIAXDD-NYRNMGCKSA-N 303.175 1.988 10 10 DDCE CC(C)(C)OC(=O)N1CC(Cc2cccc(O)c2O)(C(=O)O)C1 1951961265 GRHFYQGCRVTHAY-UHFFFAOYSA-N 323.345 1.962 10 10 DDCE C[C@](NCCN=[N+]=[N-])(C(N)=O)c1cnn(Cc2ccccc2)c1 1994383719 LBJFIZLXFLJVIK-OAHLLOKOSA-N 313.365 1.532 10 10 DDCE CN(C[C@H](O)CCN)c1ccc(CNC(=O)OC(C)(C)C)cc1 1994415716 JHVOPLNEZMDDQW-OAHLLOKOSA-N 323.437 1.857 10 10 DDCE CCOC(=O)NS(=O)(=O)N(C)[C@@H](C)c1ccccc1O 163228962 SBUFRGZEODJRRI-VIFPVBQESA-N 302.352 1.376 10 10 DDCE C[C@H](CC(N)=O)N(C)c1cc(Br)c(CN)cc1F 2033932775 OJACEYOHTLZFLX-SSDOTTSWSA-N 318.190 1.747 10 10 DDCE C[C@H]1CC(=O)NCCN1c1ccc(CO)cc1Br 687863538 DKSJTGAVRHHDIR-VIFPVBQESA-N 313.195 1.656 10 10 DDCE NCc1ccc(N2CCN3CC[C@H]2C3)c(F)c1Br 381638409 HCSDOWUMBUBEMD-JTQLQIEISA-N 314.202 1.941 10 10 DDCE CON(C1CCOCC1)S(=O)(=O)Cc1ccc(N)cc1 2164736965 HZBAFKPJPGZZFR-UHFFFAOYSA-N 300.380 1.141 10 10 DDCE O=C1NC[C@]2(CCN(Cc3cc(Cl)cc(Cl)c3O)C2)N1 2177681679 ZMRILUIJDJKRTF-ZDUSSCGKSA-N 316.188 1.956 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1CCOC[C@@H]1CO 1909725112 QDTDHXPWHDKSMC-GZMMTYOYSA-N 301.184 1.841 10 10 DDCE CCNC(=O)c1ccc(=NCc2cnc(SC)s2)[nH]n1 2284638402 GLTSUAOSVCQCTD-UHFFFAOYSA-N 309.420 1.439 10 10 DDCE OCC1(O)CC(NCc2cccc(Br)c2O)C1 2248628836 YWHQRRJNYBLCPA-UHFFFAOYSA-N 302.168 1.130 10 10 DDCE COc1ccc(C=C2C(=O)NN(c3ccccc3)C2=O)c(O)c1 2297560281 KWUDEFYGGUEUGX-UHFFFAOYSA-N 310.309 1.862 10 10 DDCE CC[C@H]1COC[C@@]1(NCc1cnc(SC)s1)C(=O)O 2348125618 INMHBHDWBCAFES-UFBFGSQYSA-N 302.421 1.834 10 10 DDCE COc1ccc(O)c([C@@H](C)NC[C@H](C)CS(C)(=O)=O)c1 182436296 KVXYIIXSFMPYSF-WDEREUQCSA-N 301.408 1.732 10 10 DDCE CC(=O)NC1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 190475617 DEYUWRQJXIJTKM-UHFFFAOYSA-N 312.373 1.450 10 10 DDCE O=S(=O)(c1ccns1)N1CCc2cc(O)c(O)cc2C1 2366931296 ASJKITVAEQDNPR-UHFFFAOYSA-N 312.372 1.301 10 10 DDCE COc1ccc(CN2CCC(N3CCCNC3=O)CC2)c(O)c1 93669599 YEJBLCUCVJQEIZ-UHFFFAOYSA-N 319.405 1.781 10 10 DDCE O=C(Nc1cnc(Br)cn1)c1ccc(O)c(O)c1 236573373 KZRYUNXRVFMTSD-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE CNCc1ccc(N(CCO)CCOC)c(Br)c1 234411108 CVPJDLGWKOWBMM-UHFFFAOYSA-N 317.227 1.614 10 10 DDCE COc1cc(O)c(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1OC 362241210 XDTPSZRSLDXGKT-RAIGVLPGSA-N 320.389 1.508 10 10 DDCE COC(=O)[C@H](CF)NC(=O)c1cc(C)n(-c2ccccn2)c1C 288042017 DINOIXRQECBCJN-ZDUSSCGKSA-N 319.336 1.730 10 10 DDCE CN(CC1(S(C)(=O)=O)CC1)c1ccc(CN)c(F)c1F 2167825584 PZFLPUHLQAGBJT-UHFFFAOYSA-N 304.362 1.437 10 10 DDCE CN(C)C(=O)C1(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1 568767499 XEFGVHAPEWQNFH-UHFFFAOYSA-N 317.389 1.346 10 10 DDCE O=C(/C=C\[C@H]1CCCO1)NCc1ccc(N2CCOCC2)cc1 819149708 LBOBSOYUWDONKD-ZPUOCTKUSA-N 316.401 1.875 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Nc3ccncn3)C2)cc1 822759065 HZALLQLEFQACCZ-GFCCVEGCSA-N 313.361 1.886 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nccn1C 735925330 CLMRJQVLXAWQEB-UHFFFAOYSA-N 314.389 1.529 10 10 DDCE CC[C@@](C)(CO)C(=O)N(C)CCN(C)c1ccc(OC)cc1 848243597 MTMDXRNJSDRHGI-KRWDZBQOSA-N 308.422 1.998 10 10 DDCE CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cnccn2)C1 749064655 ABLOLRBOGAEVNU-FYCOFBDGSA-N 322.368 1.584 10 10 DDCE COc1ccc(N2CCC(NC(=O)CC3(N)CC3)CC2)cc1 852865248 XHDKJJOZSBBYJT-UHFFFAOYSA-N 303.406 1.662 10 10 DDCE CC[C@H](NC[C@@]1(OCCO)CCOC1)c1ccc(C)cc1O 850510966 YTGUCVNLFKLFNT-RDJZCZTQSA-N 309.406 1.909 10 10 DDCE CC(=O)C(=O)COC(=O)/C=C/c1ccc(OCCN(C)C)cc1 924186448 QEOTVLZSBBBCOU-RMKNXTFCSA-N 319.357 1.342 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NOCC3CC3)C2)cc1 854090931 RIISUNUXEKTGJW-ZDUSSCGKSA-N 305.378 1.915 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)COCC(F)F)C2)cc1 862159665 VSKRXAVCIWQNDE-NSHDSACASA-N 314.332 1.672 10 10 DDCE COCn1nccc1S(=O)(=O)N[C@@H](C)c1ccccc1O 867836050 CFPOVEXVZILRDB-JTQLQIEISA-N 311.363 1.232 10 10 DDCE C[C@@H](NC(=O)c1c[nH]nc1[C@@H]1CCNC1)c1ccccc1O 870988024 DKHNXBPLOGJLIW-GHMZBOCLSA-N 300.362 1.683 10 10 DDCE CC[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C[C@@H](C)O1 1119003200 CZWQZLADLPCICN-DGCLKSJQSA-N 318.373 1.260 10 10 DDCE C[C@H]1CCCN1S(=O)(=O)NCc1ccc2c(c1)CCCN2C 770242087 CZTAEOOQPIRAIM-ZDUSSCGKSA-N 323.462 1.888 10 10 DDCE COc1cc(NC(=O)NCc2cccc(OC)c2O)n(C)n1 881250415 ARWJIVXZNSJHOV-UHFFFAOYSA-N 306.322 1.465 10 10 DDCE COC[C@@H](C)CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 783650314 FYGSQJODKSUEJR-HOCLYGCPSA-N 319.449 1.760 10 10 DDCE Cn1nc(Br)nc1CNCc1ccc2c(c1)CCO2 894212494 CQUNGMAUYXXWGK-UHFFFAOYSA-N 323.194 1.802 10 10 DDCE CN(CCN=[N+]=[N-])C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1885556588 CSAOYXWRPFRHNF-SECBINFHSA-N 301.347 1.031 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@](CO)(C(F)(F)F)C1 1154492758 PDLRYWNQYUVQOL-CYBMUJFWSA-N 319.279 1.414 10 10 DDCE CC[C@@H](F)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 1346761395 ACAQZZZNYQJSDI-MRXNPFEDSA-N 323.412 1.682 10 10 DDCE Cc1nc([C@H]2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)n[nH]1 1162028696 GXZLVHXTXPUUDT-FHMRSRPSSA-N 314.345 1.554 10 10 DDCE CC[C@H]1[C@@H](C)CCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1329859608 PNVQBTLYWAUYQO-FZMZJTMJSA-N 302.374 1.881 10 10 DDCE CCOc1ccc(N2CCN([C@H]3CCCNC3=O)CC2)cc1 1325182653 XZUXEEOKQYSQTE-INIZCTEOSA-N 303.406 1.486 10 10 DDCE C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1cccc(O)c1O 1347234412 NXUISQDKXXVIIV-WCQYABFASA-N 309.362 1.688 10 10 DDCE O=C(C(=O)N1C[C@H]2CC=CC[C@H]2C1)N1Cc2cccc(O)c2C1 1351955834 KSHSOFMYXKGWDM-BETUJISGSA-N 312.369 1.659 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@]12OCCC[C@H]1C2(F)F 1453561191 BGCGLVSUUTZYRC-OCCSQVGLSA-N 313.300 1.571 10 10 DDCE CC[S@@](=O)CCn1c(C)nnc1N(C)Cc1ccccc1O 1617409471 OTBASGWHVBQYDL-JOCHJYFZSA-N 322.434 1.697 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccn(-c2ccncc2)n1 1543837631 NNCHSRCZXAAVHZ-UHFFFAOYSA-N 310.313 1.860 10 10 DDCE COC(=O)c1cnc(CCNC(=O)c2cccc(O)c2O)s1 1558645400 ZOHHVTNMFVSGID-UHFFFAOYSA-N 322.342 1.313 10 10 DDCE COC(=O)C1(NC(=O)c2cccc(O)c2O)CCSCC1 1639211353 JSMQPXHXGOFLJO-UHFFFAOYSA-N 311.359 1.266 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](n2ccnn2)C1 1570505794 UARICWBIBYOLNC-LBPRGKRZSA-N 302.334 1.096 10 10 DDCE C[C@H](N)c1ccc(N2CCS(=O)(=O)C[C@H]2C)c(Cl)c1 228764368 XHOYXGUZCYFIJH-ZJUUUORDSA-N 302.827 1.983 10 10 DDCE CN(Cc1ccc(N)cc1)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 1990019310 QKPPWNONYWGWPT-ZDUSSCGKSA-N 323.393 1.113 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 2151275792 QFPAAEUGUDPWIQ-BHDSKKPTSA-N 314.838 1.983 10 10 DDCE COC1(CO)CN(c2ccc([C@H](C)O)c(Br)c2)C1 2039556733 VWJYRWNMWXKBTO-VIFPVBQESA-N 316.195 1.700 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CCS[C@H](CO)C3)c(Cl)cc21 720043006 DPEVBQDQIBOSTF-JVXZTZIISA-N 313.810 1.206 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1CCNCC[C@H]1CO 2071626677 HZSHPAYGFGLASQ-JOYOIKCWSA-N 314.227 1.804 10 10 DDCE COC(=O)[C@H](C)CS(=O)(=O)Nc1cc(C)c(O)cc1C 2183507413 XMAKQRIADHDRLG-SNVBAGLBSA-N 301.364 1.560 10 10 DDCE C[C@@H](N)c1ccc(N2CC(=O)N[C@@H]3CC[C@H]32)cc1Br 2112059440 YBMHDUFTIZFIBG-BZHVJNSISA-N 324.222 1.936 10 10 DDCE CCNCc1ccc(N2C[C@H](O)[C@@H](O)[C@@H]2CF)cc1Cl 2205613040 OQTCAIQUQYTQTQ-IHRRRGAJSA-N 302.777 1.329 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@H](C)CNC(C)C)s1 2269277083 BJFXHSZEKBTPKP-SECBINFHSA-N 323.509 1.671 10 10 DDCE CSc1ncc(CNC(=O)c2cc(O)c(O)c(O)c2)s1 2284507525 LZDWEWMQVCAQLJ-UHFFFAOYSA-N 312.372 1.912 10 10 DDCE COc1ccc(N2CCN(C(=O)C=Cc3cncnc3)CC2)cc1 2324651561 GOZCBWXOIUCFKD-UHFFFAOYSA-N 324.384 1.847 10 10 DDCE CSc1ncc(CNC[C@H]2[C@H]3CC[C@H](O3)[C@H]2CO)s1 2334410684 HHEYSRWJTQKXKD-KXNHARMFSA-N 300.449 1.741 10 10 DDCE COC(=O)CC[C@H]1C[C@H](N)CN(c2ccc3c(c2)OCO3)C1 108216620 RMIIWTHHXYDSBA-RYUDHWBXSA-N 306.362 1.522 10 10 DDCE CN(c1ccc(CO)cc1F)[C@H]1CC[C@H](S(C)(=O)=O)C1 2361700881 CDVKKOZDYGWLAF-RYUDHWBXSA-N 301.383 1.720 10 10 DDCE C[C@H](NN(C)S(=O)(=O)C1CCC1)c1cc(F)ccc1O 2365329047 OLSRHPMEUMNVCL-VIFPVBQESA-N 302.371 1.911 10 10 DDCE CNC(=O)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 120851601 FSCDJMWRLPUIRI-UHFFFAOYSA-N 303.406 1.771 10 10 DDCE Cc1nc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1C 133748343 DEGSTRGWEYSJQR-UHFFFAOYSA-N 312.307 1.143 10 10 DDCE C[C@@]1(CO)CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 132626375 FMZCOVYOAQQQSH-OAHLLOKOSA-N 321.333 1.525 10 10 DDCE CN(C[C@@H]1CCCOC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 130635574 ZLIFSCPFQKEAOD-JTQLQIEISA-N 321.333 1.789 10 10 DDCE CCNCc1ccc(N(CC)CC(N)=O)c(Br)c1 233514278 XNRAZBSLWYFKPB-UHFFFAOYSA-N 314.227 1.870 10 10 DDCE CCN1CC[C@@H](CNCc2ccc([N+](=O)[O-])c(OC)c2O)C1 278880517 OCGCKQZOWJYHOG-NSHDSACASA-N 309.366 1.740 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CC(=O)N(C)[C@H](C)C1 800706631 JVDONYDUBYDPEU-CYBMUJFWSA-N 318.421 1.433 10 10 DDCE CN1CCN(c2ccc(/C=C3\SC(=N)NC3=O)cc2)CC1 901542401 PMHWMBOXRNVZFU-RAXLEYEMSA-N 302.403 1.577 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(C)C[C@H](O)CN2C)c1 901127109 HWKOZQGCTCNGQA-XMZIXOGTSA-N 308.378 1.033 10 10 DDCE CC(C)C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(O)cc1O 910951188 DVDYXJNNQONLJB-CYBMUJFWSA-N 306.362 1.361 10 10 DDCE CN(CCO)CCN(C)C(=O)c1cc2cc(O)c(O)cc2s1 912599153 JQXNRPUCVDRAOA-UHFFFAOYSA-N 324.402 1.309 10 10 DDCE C[C@@]1(C(F)F)CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCO1 856499581 FTUUWOGPRJOMNY-UJAVWCLSSA-N 313.300 1.994 10 10 DDCE CCOC(=O)C[C@@H](C)CNC(=O)NCc1c(O)cccc1F 921690935 RDDLMWVJKWSXHA-SNVBAGLBSA-N 312.341 1.920 10 10 DDCE COC[C@H](CCNCc1ccc(N2CCOCC2)cc1)OC 850345381 XULBZDDUHLSINV-KRWDZBQOSA-N 308.422 1.664 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC3CCNCC3)C2)cc1 851661209 GPSADGFXDZBAEF-CQSZACIVSA-N 318.421 1.325 10 10 DDCE Cc1cn2c(n1)C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)CC2 860234438 GAMNSPRJUXTURM-ZDUSSCGKSA-N 315.373 1.524 10 10 DDCE CC[C@H](C)[C@H](NCc1ccc(N2CCOCC2)cc1)C(N)=O 931760188 CVCSPHNWBHOGCK-BBRMVZONSA-N 305.422 1.513 10 10 DDCE CC[C@H](NC[C@@]12COCCN1C(=O)OC2)c1ccc(F)cc1O 866520294 FOANGZNAVVMAIU-BBRMVZONSA-N 324.352 1.793 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCC2(N)CCOCC2)c1 861669423 RHBKJUXCBCLPBH-LLVKDONJSA-N 323.393 1.269 10 10 DDCE C[C@H](NC(=O)[C@@H](O)Cc1cnn(C)c1)c1ccc(N(C)C)cc1 787300599 RCMXOQXFNRCTAQ-LRDDRELGSA-N 316.405 1.267 10 10 DDCE O=C(Cn1c(=O)oc2ccccc21)N1Cc2cccc(O)c2C1 1302788003 RLJWEXDVPUHFMJ-UHFFFAOYSA-N 310.309 1.843 10 10 DDCE O=C(O)CCN(CCO)Cc1cc(Cl)cc(Cl)c1O 1963598334 SDUVEZVCNOSKIG-UHFFFAOYSA-N 308.161 1.968 10 10 DDCE Cc1ccn2ncc(C(=O)NCc3c(O)cccc3F)c2n1 1178413076 NGAGZECZAJQCFE-UHFFFAOYSA-N 300.293 1.812 10 10 DDCE Nc1ccc(CCNC(=O)N2C[C@@H]3CCC[C@H](C2)C3O)cc1 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1.441 10 10 DDCE NCc1ccc(N2CCOC[C@@H]2C(=O)NC2CC2)cc1Cl 159318699 HDFWWVDSLHJGGK-CQSZACIVSA-N 309.797 1.283 10 10 DDCE CCOc1cccc(CNCC(=O)Nc2cccnc2)c1O 1857856538 AHQRGUSLRXAGCL-UHFFFAOYSA-N 301.346 1.914 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1COCC[C@@]1(N)c1ccccc1O 1933870255 DDOQDIIQIJIZJR-XJKSGUPXSA-N 308.378 1.860 10 10 DDCE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1c1cc(N)ccc1O 1952908301 CKQCORGSOAGGOF-LLVKDONJSA-N 307.350 1.382 10 10 DDCE [N-]=[N+]=NCCNC(=O)CNC(=O)c1ccc(Br)o1 701323614 VGVMCBDCKIPHRL-UHFFFAOYSA-N 316.115 1.198 10 10 DDCE CCCS(=O)(=O)CCN(C)c1ccc(CNC)cc1F 2170440289 GPLCRGZVRFBLRR-UHFFFAOYSA-N 302.415 1.806 10 10 DDCE COc1cc(S(=O)(=O)Nc2ccc(O)cc2F)sn1 717671596 JJXXJZZDUDZIMC-UHFFFAOYSA-N 304.324 1.797 10 10 DDCE Cc1nnc(CNCc2cccc(Br)c2O)n1C 393195804 ZOZXHXQQEARPJH-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE CNC(=O)[C@@H]1CCN(Cc2cc(Br)ccc2O)C1 398479465 VHZSOHBNRSKCRB-SECBINFHSA-N 313.195 1.723 10 10 DDCE Cc1csc(CCNC(=O)c2cnn3c(O)cc(C)nc23)n1 2064932594 DMDYRGVJZNJBFR-UHFFFAOYSA-N 317.374 1.481 10 10 DDCE C[C@@H](O)[C@H]1CN(c2ccc(CN)c(Br)c2)CCO1 2053847026 OOBBWDAJOYQBFU-NOZJJQNGSA-N 315.211 1.494 10 10 DDCE Cn1c(Br)nnc1CNCc1cccc(F)c1O 2057835714 NOWYTYLKXKYAIZ-UHFFFAOYSA-N 315.146 1.712 10 10 DDCE CSc1ncc(CNC(=O)NCC2CC(C(=O)O)C2)s1 2284544391 PBCRDEILUTTWAM-UHFFFAOYSA-N 315.420 1.775 10 10 DDCE COc1cc(CN2CC[C@@](N)(C(=O)O)C2)ccc1N1CCCC1 67934765 URDDVXHCNMNPGR-KRWDZBQOSA-N 319.405 1.283 10 10 DDCE CN(Nc1nc2c(s1)CC[C@@H]2C(=O)O)S(=O)(=O)C1CC1 2365273955 UAIIGTHSZWQUIO-ZETCQYMHSA-N 317.392 1.008 10 10 DDCE C[C@@H](NN(C)S(=O)(=O)C1CCC1)c1cc(O)ccc1O 2365276518 KSOKFXKUPNFIAA-SECBINFHSA-N 300.380 1.478 10 10 DDCE C=CC(=O)NCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 269463321 RUZLNUCYNKUTHU-UHFFFAOYSA-N 315.417 1.936 10 10 DDCE O=C(/C=C/c1ccncn1)NCc1ccc(N2CCOCC2)cc1 272213043 IVAHAEUBCNOORU-ZZXKWVIFSA-N 324.384 1.643 10 10 DDCE C[C@H]1CN(CCO)CCN1Cc1ccc(N2CCOCC2)cc1 825336966 BIKRYACCDUWXLQ-INIZCTEOSA-N 319.449 1.022 10 10 DDCE CC(=O)[C-]1NC(C2=C=S=C=C2Br)=S=C1C 725517747 CSNJJYQWYPGSFE-UHFFFAOYSA-N 301.210 1.520 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@H](C(=O)O)[C@H]2CCCO2)cc1 904025112 CQDPZGQKZFXUNE-OZXVRYSVSA-N 304.390 1.988 10 10 DDCE C[C@@H]1CCNC[C@@H]1NC[C@H](c1ccc(N(C)C)cc1)N(C)C 902516121 BPJHFYGBDXBMIQ-FHLIZLRMSA-N 304.482 1.943 10 10 DDCE C[C@H]1CNCC[C@@H]1NCc1ccc(N2CCN(C)CC2)cc1 841065515 ZLDWBWYCDXPNEU-YJBOKZPZSA-N 302.466 1.526 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@]23CNC[C@H]2COC3)cc1 846672768 KVSLPASCIBBMCH-YJBOKZPZSA-N 317.433 1.385 10 10 DDCE COc1ccc(N2CCC(NC(=O)N[C@@H](C)[C@@H](C)N)CC2)cc1 841779682 WLPPITPSSKNDIF-OLZOCXBDSA-N 320.437 1.699 10 10 DDCE CSC[C@@H]1NC(=O)N(Cc2ccc(N3CC=CC3)cc2)C1=O 924686960 UNCAHHCMZMFTMO-AWEZNQCLSA-N 317.414 1.846 10 10 DDCE Nc1ccc(NC(=O)C(=O)N[C@H](C2CC2)[C@@H]2CCCOC2)cc1 927919368 GRCVNRYONHFGKP-IUODEOHRSA-N 317.389 1.529 10 10 DDCE CN1CCN(c2ccc(CN[C@H]3CNCCC3(F)F)cc2)CC1 841075688 UUJODLKYKJSUAA-INIZCTEOSA-N 324.419 1.525 10 10 DDCE CN(C)c1ccc(CNC(=O)C2(n3cccn3)CC2)cc1F 931145994 ILBRUIDVMYALBA-UHFFFAOYSA-N 302.353 1.894 10 10 DDCE COC[C@@](C)(NCc1ccc(N2CCOCC2)cc1)C(=O)OC 930155293 NDCDSDYALPDKFT-QGZVFWFLSA-N 322.405 1.191 10 10 DDCE CNCCOCCNC(=O)NCc1ccc(N(C)C)cc1C 861582327 DLSJSICEGUHLGZ-UHFFFAOYSA-N 308.426 1.096 10 10 DDCE C[C@@H](NC(=O)CC1CS(=O)(=O)C1)c1ccc(N(C)C)cc1 867504065 RUANHBNSOSANSZ-LLVKDONJSA-N 310.419 1.365 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)c1ccc2c(c1)COB2O 863872578 ITYUGUOAZCXCGL-UHFFFAOYSA-N 324.189 1.209 10 10 DDCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(CO)C2)c1 860769016 VNRYXGWSEYVBLT-UHFFFAOYSA-N 312.369 1.971 10 10 DDCE Oc1cc2c(cc1CN1C[C@H]3[C@H]4CC[C@@H](CN4)[C@H]3C1)OCO2 863653106 CBJXVDMTXXRDKY-IGHBBLSQSA-N 302.374 1.551 10 10 DDCE COC(=O)[C@]1(O)CCN(Cc2cc(Cl)cc(Cl)c2O)C1 895706111 CIPWZYJABOWFEA-ZDUSSCGKSA-N 320.172 1.809 10 10 DDCE NC(=O)c1ccccc1CCC(=O)NCc1c(O)cccc1O 1156885727 MLWAIKKQTPHOHA-UHFFFAOYSA-N 314.341 1.446 10 10 DDCE CCc1nn(C)c(CC)c1CC(=O)NCc1cc(O)ccc1O 1176755343 OWJUXZOHMAUNGI-UHFFFAOYSA-N 317.389 1.815 10 10 DDCE C[C@H]1NC(=O)CC[C@H]1NCc1c(O)cccc1Br 706863872 VHOIUUOMXYURGT-LDYMZIIASA-N 313.195 1.911 10 10 DDCE CC[C@H](N[C@@H](C)[C@H](O)CO)c1cc(Br)ccc1O 698981468 ZWHUMIDTEVSDJG-LJUAHTATSA-N 318.211 1.937 10 10 DDCE COC(C)(C)[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 1262223127 LDMVAVXAJPODNC-GFCCVEGCSA-N 321.421 1.299 10 10 DDCE O=C(CCn1ccccc1=O)NCc1ccc2cccnc2c1O 1638570003 QVWKSCUGXFLNPE-UHFFFAOYSA-N 323.352 1.809 10 10 DDCE O=C(c1cc(O)cs1)N1CC[C@H](c2cc(O)nc(O)n2)C1 1631833238 VZXPLABRUZBNFT-ZETCQYMHSA-N 307.331 1.285 10 10 DDCE COc1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1O 1641217308 JZFSIHSRTVURQK-UHFFFAOYSA-N 307.277 1.881 10 10 DDCE CC(=O)C(=O)[C@](O)(CN(C)C(=O)OC(C)(C)C)C(C)(C)C 1919334492 OUDZECPEDDLFSR-OAHLLOKOSA-N 301.383 1.789 10 10 DDCE CN(C)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1O 1928480312 HBANDHZHRAPCIP-OCCSQVGLSA-N 309.410 1.847 10 10 DDCE CN(CCNC(=O)OC(C)(C)C)C(=O)COc1ccc(N)cc1 1977929593 LOFSRGVSKBIVBZ-UHFFFAOYSA-N 323.393 1.631 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)c(Cl)c1 2151275263 OEADVXOWDMUBAO-UDZFHETQSA-N 314.838 1.983 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)c1c(F)cc(CO)cc1F 2170554673 SUGNSKVXTZWUEQ-SECBINFHSA-N 307.362 1.717 10 10 DDCE CN(c1c(F)cc(CN)cc1F)C1CCS(=O)(=O)CC1 694204638 KDCQKZZYWIELMR-UHFFFAOYSA-N 304.362 1.437 10 10 DDCE COC[C@H]1CCCCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2062122351 NOCIHSTYZQDDAV-LBPRGKRZSA-N 318.377 1.632 10 10 DDCE Cc1cccc(CNS(=O)(=O)c2cc(CO)cs2)c1O 2204622770 IXPUREUOMIYOCK-UHFFFAOYSA-N 313.400 1.733 10 10 DDCE COc1ccc(Br)c(CN[C@H]2COC[C@@H]2F)c1O 2220456400 LWUFXKNHLIVZHB-UWVGGRQHSA-N 320.158 1.990 10 10 DDCE CSc1ncc(CNC(=O)[C@]2(C)CC[C@@H]2C(=O)O)s1 2269137466 JFQQRMKLCRUDOJ-PRHODGIISA-N 300.405 1.982 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2occc2CN)s1 2269277856 DRBVHJGSNPCFKW-UHFFFAOYSA-N 319.433 1.395 10 10 DDCE COc1cc(OC)c(N2C[C@H](C)O[C@H](CO)C2)cc1Cl 2285919419 JHEBXSKLIWEKRO-UWVGGRQHSA-N 301.770 1.943 10 10 DDCE NC(=O)[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cncc(O)c2)C1 492471171 HTPRRODHMMOUHL-GXMNPTEKSA-N 323.352 1.491 10 10 DDCE O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@H]1CO 2304585714 BNVAVRBCKNCYDO-KRWDZBQOSA-N 316.401 1.520 10 10 DDCE NC(=O)CN(Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1O 173385157 DBOFDCGVXWHSAB-UHFFFAOYSA-N 315.329 1.788 10 10 DDCE O=C(c1cccc(O)c1O)N1CCO[C@H](c2nccs2)C1 193062250 NKAXWRBAXUAGDV-NSHDSACASA-N 306.343 1.768 10 10 DDCE COCC[C@H](COC)NCc1ccc([N+](=O)[O-])c(OC)c1O 811516957 DGTDJNJAGHUJSB-LLVKDONJSA-N 314.338 1.450 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CCF)C(=O)O 909043746 VBGYFRYRFYETGP-ZDUSSCGKSA-N 311.357 1.673 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]3COC[C@@H]3C2)c1O 827602657 SSZOTZSVZKWGDQ-NEPJUHHUSA-N 308.334 1.777 10 10 DDCE C[C@@H]1O[C@H](C)CN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C 839573934 HSGUMGWFLDZJAB-ILXRZTDVSA-N 319.449 1.867 10 10 DDCE COC[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1O 846047049 IKRVFIFBNIMAJP-WDEREUQCSA-N 316.741 1.535 10 10 DDCE COc1ccc(N2CCN(C[C@H](O)C3(O)CCC3)CC2)cc1F 929821257 MSKQOFQQYCTGCX-INIZCTEOSA-N 324.396 1.232 10 10 DDCE COc1cc(CN2CC[C@H](Cn3ccnn3)C2)c(O)cc1C 853525004 PONVAZNHMNVUBY-ZDUSSCGKSA-N 302.378 1.823 10 10 DDCE Cc1ccc(C(=O)NC[C@@]2(OC(C)C)CCOC2)c(O)c1O 928753234 JPEVTPXJLYNPHQ-INIZCTEOSA-N 309.362 1.720 10 10 DDCE O=C(NCC[C@@]1(O)CCCOC1)NCc1c(O)cccc1F 923088294 GLQZFLSPHYPGOW-HNNXBMFYSA-N 312.341 1.262 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCCNC3)C2)cc1 851663798 JLKZURTYCYHDRH-KGLIPLIRSA-N 318.421 1.325 10 10 DDCE CCn1cc(S(=O)(=O)N[C@@H](C)c2ccccc2O)nc1C 867833949 IOYIVHZBEJRBBI-JTQLQIEISA-N 309.391 1.957 10 10 DDCE CC[S@@](=O)CCNCc1ccc([N+](=O)[O-])c(OC)c1O 775021395 LOILISVPRXQPOO-HXUWFJFHSA-N 302.352 1.167 10 10 DDCE COc1ccc(CNC(=O)C(C)(C)c2cnn(C)c2)c(O)c1 794387234 HEAUYALXQLZLFV-UHFFFAOYSA-N 303.362 1.728 10 10 DDCE CC[C@H](F)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 1346761393 ACAQZZZNYQJSDI-INIZCTEOSA-N 323.412 1.682 10 10 DDCE CCOC(=O)[C@]1(CNC(=O)c2cccc(O)c2O)CCCOC1 1169003168 RNXWWZDBNFPMPH-INIZCTEOSA-N 323.345 1.188 10 10 DDCE CS(=O)(=O)[C@H]1CCC[C@H](NCc2ccc(F)cc2O)C1 1964575679 ISYHAZLBSAAVPF-STQMWFEESA-N 301.383 1.977 10 10 DDCE O=C1OCCN1CCNCc1cccc(Br)c1O 1964564198 LYJRNHQAAODODB-UHFFFAOYSA-N 315.167 1.697 10 10 DDCE C[C@@H](NC(=O)c1cnc(O)c([N+](=O)[O-])c1)c1ccccc1O 1471195648 JXAZFFZISPRPMW-MRVPVSSYSA-N 303.274 1.892 10 10 DDCE CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1545863680 XMYPPEYNBCGGRL-NWDGAFQWSA-N 317.349 1.494 10 10 DDCE C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)Cc1ccc(O)c(O)c1 1634893662 NHMUBYWRUNRTQN-OCCSQVGLSA-N 304.390 1.726 10 10 DDCE Cc1ccc(O)c(CNc2ncc([N+](=O)[O-])cc2C(N)=O)c1 1640177478 AUUPDSHOOVFKLH-UHFFFAOYSA-N 302.290 1.715 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCN2CCCC2=O)cc1 1644530108 DUVDMLFPOGQXTL-UHFFFAOYSA-N 303.322 1.201 10 10 DDCE COC(=O)C12CCC(CC1)N2C(=O)Cc1ccc(O)c(O)c1 1648793994 SUSPQFOKHYQRPR-UHFFFAOYSA-N 305.330 1.337 10 10 DDCE CC[C@H](C)N/C=C1/C(=O)NC(=O)N(c2ccccc2OC)C1=O 19595337 FSULHFBFOYBDMK-RGAIUGGKSA-N 317.345 1.550 10 10 DDCE CN(Cc1ccc(Br)cc1O)C(C)(C)C(N)=O 1915535224 BZPYHNNPKGJQFI-UHFFFAOYSA-N 301.184 1.850 10 10 DDCE CC(C)(CC(N)=O)NCc1cc(Br)ccc1O 227054118 DBGBSSVUVFTTOQ-UHFFFAOYSA-N 301.184 1.898 10 10 DDCE CN1C(C)(C)[C@@H](NCc2ccc(F)cc2O)CS1(=O)=O 1967826101 XDLGODFZYCCYOZ-LBPRGKRZSA-N 302.371 1.043 10 10 DDCE COC(=O)[C@H]1CCN[C@@H]1c1cccc(Br)c1O 1952859958 BQXUIJPJNAPQQT-WCBMZHEXSA-N 300.152 1.978 10 10 DDCE C[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1975155343 CAALRSUHSYVHJB-IIHVQRNFSA-N 310.394 1.555 10 10 DDCE O=C(c1cccc(O)c1O)N(OCc1ccccc1)C1CNC1 1982823695 RLQAGYHICHWUTE-UHFFFAOYSA-N 314.341 1.644 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@@H](C2OCCO2)C1 2145858861 PLINGGKTGFQPDJ-CHWSQXEVSA-N 319.405 1.681 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCc2ccns2)cc1 404380363 CEBUNJNELKKATK-UHFFFAOYSA-N 313.404 1.224 10 10 DDCE CC[C@H](C(N)=S)S(=O)(=O)NCc1ccc(N(C)C)cc1 2160465595 NARUBOSJYZWMHA-GFCCVEGCSA-N 315.464 1.237 10 10 DDCE CCc1nc(CNC(=O)c2cnn3c(O)cc(C)nc23)cs1 2062348635 QMAZLTYDJXEDRS-UHFFFAOYSA-N 317.374 1.692 10 10 DDCE Cn1nncc1CCNCc1cc(Br)ccc1O 2059311651 AAXDDQHGKZOSKF-UHFFFAOYSA-N 311.183 1.616 10 10 DDCE CC1(CONS(=O)(=O)CCOc2ccc(N)cc2)CC1 2191777153 VHPRWXTZYOGSOI-UHFFFAOYSA-N 300.380 1.299 10 10 DDCE O=C(NC[C@@]1(Br)CC1(F)F)c1cc(O)nc(O)c1 2082511234 UKKPSPHSMSJKGV-VIFPVBQESA-N 323.093 1.395 10 10 DDCE OCc1ccc(N2C[C@@H](O)C[C@@H](F)C2)c(Br)c1 2213887187 BBHKFBJQEJCCOY-ZJUUUORDSA-N 304.159 1.851 10 10 DDCE Oc1cc(Br)ccc1CN[C@@H]1CCC[C@@H](O)[C@H]1O 2217643116 QMJPEKFXCDUNPK-WZRBSPASSA-N 316.195 1.519 10 10 DDCE CCCS(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCC[C@H]1N=[N+]=[N-] 2234177218 QXOZECOCPBQBBX-OPRDCNLKSA-N 303.388 1.052 10 10 DDCE COc1cccc(C=C2SC(NC(C)=O)=NC2=O)c1OC 2294009854 ODCBKQRAIBILNJ-UHFFFAOYSA-N 306.343 1.810 10 10 DDCE CSc1ncc(CNC(=O)[C@]23CCCO[C@@H]2CNC3)s1 2284493772 FHVIJENICWOGJO-MFKMUULPSA-N 313.448 1.250 10 10 DDCE COc1ncc(Br)c(C)c1[C@H](O)C(=O)C(C)=O 2303074973 YETRXERBCWMPIW-JTQLQIEISA-N 302.124 1.353 10 10 DDCE Cc1ccc(CNCc2cnn(C)n2)c(O)c1Br 2327793732 WWMXUVYRRYLPMM-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CNC(=O)C2)cc1F 108996760 VNWCKKJZRMGIJC-LBPRGKRZSA-N 307.369 1.424 10 10 DDCE CN1C(=O)NC(=O)/C(=C\c2ccc(Br)cc2)C1=O 59859823 UXFFKMSOBRZOOP-RMKNXTFCSA-N 309.119 1.541 10 10 DDCE O=C1c2ccccc2C(=O)c2c(NCCNCCO)cccc21 38604322 GTHICKVZNHXYII-UHFFFAOYSA-N 310.353 1.456 10 10 DDCE O[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(Cc1ccc(N4CCOCC4)cc1)C[C@@H]3C2 249603867 QYPZJKQOGSJBAS-PLOWYNNNSA-N 314.429 1.724 10 10 DDCE COC[C@@](C)(CO)NC(=O)c1cc2cc(O)c(O)cc2s1 907406654 BELDNRJJVJBCIJ-CQSZACIVSA-N 311.359 1.440 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCN3C(=O)OC[C@@H]3C2)cc1 835025173 GLSHKKNZMRMHNV-CWDCEQMOSA-N 301.390 1.902 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[C@H]3C2)cc1 843261548 MAJCCANXYYJJCO-VNHYZAJKSA-N 301.390 1.232 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](OC(F)F)C2)cc1 841083266 AEXHNSHZDGQTJE-LLVKDONJSA-N 313.304 1.438 10 10 DDCE O=C1N[C@@]2(C(=O)NCc3c(O)cccc3F)C[C@H]3C[C@H]1[C@H]2C3 928705062 CWXPKCFDJVMQNJ-OYYVTHIOSA-N 304.321 1.062 10 10 DDCE C[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@H](C)C1O 853245295 WUWCQBRPJZSHDW-STQMWFEESA-N 305.422 1.911 10 10 DDCE C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)C[C@@H](C)C1O 853245293 WUWCQBRPJZSHDW-CHWSQXEVSA-N 305.422 1.911 10 10 DDCE CC[C@@H](N)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851667049 KOVRNQANCSBEIW-OLZOCXBDSA-N 306.410 1.310 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cn3ccnc3C)C2)cc1 855225723 PWDMJPNCEPFWJQ-CQSZACIVSA-N 314.389 1.595 10 10 DDCE CN1CCN(Cc2c(O)cccc2Br)CCC1=O 862415696 HXZIVFCGCDPGAD-UHFFFAOYSA-N 313.195 1.819 10 10 DDCE CCOc1cccc(CN2CCN3C(=O)OCC[C@H]3C2)c1O 770391034 JPQKPPXYCWAIGC-ZDUSSCGKSA-N 306.362 1.817 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)Cn1c(O)nnc1O 1139124087 OTBTWGBFJALKIF-UHFFFAOYSA-N 320.349 1.224 10 10 DDCE CN(CC(C)(CO)CO)c1ccc(CO)c(Br)c1 689277623 BWMGENAJJCROKX-UHFFFAOYSA-N 318.211 1.369 10 10 DDCE CCN(CC)CCS(=O)(=O)NCc1cc(C)ccc1O 1329806235 MKYAAHTXSWEIPR-UHFFFAOYSA-N 300.424 1.462 10 10 DDCE CCOC[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1346754076 QMEPJLIMXQOMOV-STQMWFEESA-N 321.421 1.471 10 10 DDCE Cn1ncc2c1C[C@@H](C(=O)NCc1c(O)cccc1O)CC2 1456233941 GVCBONIMGLZFGX-JTQLQIEISA-N 301.346 1.253 10 10 DDCE CN(Cc1cccc(Br)c1O)C(C)(C)C(N)=O 1915536018 YSCQXVGTOIVVSN-UHFFFAOYSA-N 301.184 1.850 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1cn2cccnc2n1 1469248478 IKWYQPZCYFYGNR-UHFFFAOYSA-N 319.324 1.913 10 10 DDCE Cc1ccccc1C[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1556213442 YXWRVUBTNNYDMH-HNNXBMFYSA-N 315.369 1.669 10 10 DDCE CCN1CC[C@@H]1C(=O)NCc1ccc(N2CCSCC2)cc1 1630351454 QIWRMCDUCCVKTE-MRXNPFEDSA-N 319.474 1.950 10 10 DDCE CCNCc1ccc(N2CCS(=O)(=O)C[C@@H]2C)c(F)c1 228794609 AABJCDDWQPICLA-NSHDSACASA-N 300.399 1.559 10 10 DDCE CCNC(=O)c1cccc(NC=C2C(=O)OC(C)(C)OC2=O)c1 13624414 JWJNKANYTIZRRH-UHFFFAOYSA-N 318.329 1.568 10 10 DDCE CN(C)c1ccc(N)c(OCCS(=O)(=O)C(C)(C)C)c1 234237538 DAKSQHOWYLYSGX-UHFFFAOYSA-N 300.424 1.927 10 10 DDCE CC(=O)c1ccc(S(=O)(=O)NCc2ccc(O)cc2O)cc1 1259180285 OYOJFQZUMUUNHY-UHFFFAOYSA-N 321.354 1.779 10 10 DDCE Cc1nnn(C)c1CNCc1ccc(Br)cc1O 1971349324 YBFIGXUHKVCLPV-UHFFFAOYSA-N 311.183 1.881 10 10 DDCE O=C(O)CN(CCO)Cc1c(O)cccc1Br 2022970902 YAEGWXHSNPVYBA-UHFFFAOYSA-N 304.140 1.034 10 10 DDCE O=C(O)C1[C@H]2CN(Cc3c(O)cccc3Br)C[C@H]12 2027114336 DPOFKZCPONFKRE-YUMQZZPRSA-N 312.163 1.917 10 10 DDCE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1c1c(F)cc(CN)cc1F 2170281121 WWFQGJUEVYTOSG-RKDXNWHRSA-N 304.362 1.435 10 10 DDCE COCCOC1CN(c2ccc(CN)c(Br)c2)C1 707656602 GEHLAIAPLFEGOC-UHFFFAOYSA-N 315.211 1.759 10 10 DDCE CN(CCc1nccs1)S(=O)(=O)Cc1ccc(N)cc1 688740455 XBVNUOHMPYMZSW-UHFFFAOYSA-N 311.432 1.730 10 10 DDCE Cc1cn2c(n1)CC[C@@H](C(=O)NCc1c(O)cccc1O)C2 2063083523 IDPPIFZBXVMZBL-LLVKDONJSA-N 301.346 1.482 10 10 DDCE CSCC[C@H](O)CCNC(=O)c1cc(O)c(O)c(O)c1 2188868459 RLVLFTLAKDUGJR-SECBINFHSA-N 301.364 1.037 10 10 DDCE CN(Cc1cc(Br)ccc1O)C1(C(=O)O)COC1 2052924435 YITAQLDIWSIOPX-UHFFFAOYSA-N 316.151 1.440 10 10 DDCE C[C@@H](O)[C@@H]1CN(c2ccc(CN)c(Br)c2)CCO1 2053847027 OOBBWDAJOYQBFU-RNCFNFMXSA-N 315.211 1.494 10 10 DDCE O=S1(=O)C[C@@H]2CCN(c3ccc(CO)cc3Cl)[C@H]2C1 2094927210 NFIIPOUBCGTFJN-GWCFXTLKSA-N 301.795 1.456 10 10 DDCE Cn1nc(Br)c(C(=O)N2CCC(N=[N+]=[N-])CC2)n1 2219809160 HDMPSEOAYYVCFW-UHFFFAOYSA-N 314.147 1.493 10 10 DDCE COc1ccc(Br)c(CN2CCNC[C@@H]2C)c1O 2220463319 ZAUWHYXGJOIQOO-VIFPVBQESA-N 315.211 1.957 10 10 DDCE O=S(=O)(CCNCc1ccc(F)c(F)c1O)C(F)(F)F 2232496443 HHVICKBMRCQKOU-UHFFFAOYSA-N 319.251 1.695 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)c1ccc(OC)cc1CN 2235956946 DDBQVCKAUUWEOZ-LLVKDONJSA-N 300.424 1.413 10 10 DDCE COc1cc(OC)c(N(C)C[C@@H]2CNCCO2)cc1Cl 2285935335 IJHJAHIGOBAUNP-JTQLQIEISA-N 300.786 1.782 10 10 DDCE CNC(=O)c1cncc(C=CC(=O)N2CCOc3ccncc32)c1 2297806385 OFVCSYXYBDWCKV-UHFFFAOYSA-N 324.340 1.275 10 10 DDCE COc1cc(N=NN2CCC(C(N)=O)CC2)cc(OC)c1OC 2318776172 ZVSXTNPKFUPXBG-UHFFFAOYSA-N 322.365 1.908 10 10 DDCE CCN[C@H](c1ccccc1O)c1nc(Br)nn1C 2328457373 MSYVUTZFFILKMQ-SNVBAGLBSA-N 311.183 1.982 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(Cl)c1 2336464233 CZEWDECQSGCIKN-JQEORGNBSA-N 301.795 1.627 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@H](CO)c2ccccc2)cc1 63000109 NMLYNEPVEQDWIG-OAHLLOKOSA-N 306.387 1.422 10 10 DDCE Cc1cnccc1NS(=O)(=O)CCOc1ccc(N)cc1 70490899 AXPMOEMAFGERBZ-UHFFFAOYSA-N 307.375 1.793 10 10 DDCE C[C@@H](NCCCS(=O)(=O)N(C)C)c1c(O)cccc1O 2367614011 LXZLDTQSGLLALA-SNVBAGLBSA-N 302.396 1.030 10 10 DDCE N[C@@H](c1c(Br)ccc(F)c1O)C(F)(F)CO 95716032 LCEBLWPBAFVFOR-QMMMGPOBSA-N 300.074 1.921 10 10 DDCE COC(=O)CCCCNC(=O)NCc1cccc(OC)c1O 266727728 KKMNLHPJXNYVLW-UHFFFAOYSA-N 310.350 1.543 10 10 DDCE COc1ccc2c(c1)N(C(=O)c1ccoc1CC(N)=O)CCC2 619939388 SXVOTIODTDVBPI-UHFFFAOYSA-N 314.341 1.909 10 10 DDCE CN(C)c1ccc(CNC(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)cc1 290769641 LIHSUZXEJQUBRM-KBMXLJTQSA-N 303.406 1.807 10 10 DDCE CC[C@@H](CS(=O)(=O)Nc1ccc(O)cc1COC)OC 817353192 QEHSESXPOOWOAJ-LBPRGKRZSA-N 303.380 1.705 10 10 DDCE CC[C@@H](O)CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 837804980 JGQKHOJAMUGJTJ-OAHLLOKOSA-N 322.405 1.415 10 10 DDCE CC(C)N(CC(=O)NCc1ccc(N(C)C)cc1)C[C@@H](C)O 839484249 DFDFXJRAMFMGJW-CQSZACIVSA-N 307.438 1.460 10 10 DDCE CC(C)N(C[C@H]1CCC(=O)N1)C(=O)/C=C\c1ccc(O)c(O)c1 840560067 PQHHBKCZOALMHT-IBSXUBTNSA-N 318.373 1.627 10 10 DDCE CCN(CC)CC[C@H](CO)NC(=O)/C=C\c1ccc(O)c(O)c1 848025396 SSEZZONLMVLQJX-IQCBXXCUSA-N 322.405 1.320 10 10 DDCE CCOc1ccc(CNC[C@@]2(OCCO)CCOC2)c(O)c1 850358661 TYJNWMBMUNRJBT-INIZCTEOSA-N 311.378 1.049 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cccc(O)n3)C2)cc1 855230282 FOTAUOKSZSOWEA-LBPRGKRZSA-N 313.357 1.805 10 10 DDCE COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)c(C)c2)C[C@@H](C)O1 859654797 WXWIARWCFOKGJL-CJNGLKHVSA-N 306.406 1.823 10 10 DDCE CNCCOCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 861620943 QXFOJQAMTWQIHJ-CYBMUJFWSA-N 308.426 1.349 10 10 DDCE CN1CCCc2cc(CNC(=O)N3C[C@@H]4C[C@@]4(CO)C3)ccc21 782952806 DGODDMPIOVQOJO-YJBOKZPZSA-N 315.417 1.593 10 10 DDCE O=C(NCC[C@@]1(O)CCOC1)c1cc2cc(O)c(O)cc2s1 898274967 IHCHRUQCFCRIRW-OAHLLOKOSA-N 323.370 1.584 10 10 DDCE CC(C)OC(=O)CNC(=O)c1cc2cc(O)c(O)cc2s1 896173546 ZYFJMXGIABMQCU-UHFFFAOYSA-N 309.343 1.994 10 10 DDCE C[C@@H](c1ccc(F)cc1O)N1CC[C@@H](NS(C)(=O)=O)C1 703136822 FKGOOTYRQOVPHF-GXSJLCMTSA-N 302.371 1.216 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@]3(F)CCOC3)C2)cc1 1328696551 FXFDZZZLJHGCOO-WBMJQRKESA-N 308.353 1.519 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)[C@]2(F)CCOC2)cc1C 1266964967 PJEGYQXNMOZLTB-DYVFJYSZSA-N 324.396 1.727 10 10 DDCE CN(CCCN=[N+]=[N-])[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 1912196433 VJIYTWBFOIUFRP-MRVPVSSYSA-N 317.337 1.441 10 10 DDCE CN1C[C@@H]2CC[C@H](NC(=O)N(C)Cc3ccccc3O)[C@H]2C1 1519930540 KTIWPHBDGLFPOI-QEJZJMRPSA-N 303.406 1.874 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cnc2n(c1=O)CCS2 1456090505 KYYYKSRWEAKSBY-UHFFFAOYSA-N 321.333 1.124 10 10 DDCE O=C(Cc1cn2cc(F)ccc2n1)NCc1ccc(O)c(O)c1 1465953063 BRPOIKPKOIZQCE-UHFFFAOYSA-N 315.304 1.744 10 10 DDCE COC(=O)[C@H](COC(C)C)N(C)C(=O)c1cccc(O)c1O 1466047601 QYALEJXCOAMLOR-NSHDSACASA-N 311.334 1.136 10 10 DDCE COC(=O)c1cc(F)cc(C(=O)NCc2ccc(O)cc2O)c1 1469162659 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O=S(=O)(CCCCO)Nc1ccc(O)c(C(F)(F)F)c1 2157766190 FRWZFHZKLBMIFM-UHFFFAOYSA-N 313.297 1.925 10 10 DDCE Cc1cc(CNC(=O)c2cnn3c(O)cc(C)nc23)cc(C)n1 2064919167 KYSDOURVVYSXSD-UHFFFAOYSA-N 311.345 1.685 10 10 DDCE CN(C[C@@H]1[C@@H]2CS(=O)(=O)C[C@@H]21)c1ccc(CO)c(Cl)c1 2174678688 IVTHXMDXCJBXSK-CLLJXQQHSA-N 315.822 1.559 10 10 DDCE O=C(O)c1cnn(Cc2cccc(Br)c2O)c1O 2070584655 ZHHYJGIAVUJUIY-UHFFFAOYSA-N 313.107 1.803 10 10 DDCE O=C(O)[C@H](NCc1ccc(Br)cc1O)C1COC1 2042966948 CFGWRONIGLXUOE-LLVKDONJSA-N 316.151 1.344 10 10 DDCE CC[C@H](NCC[C@H](O)CO)c1cc(Br)ccc1O 2061858240 MKZMLAIEGAIIJA-JQWIXIFHSA-N 318.211 1.939 10 10 DDCE CN(Cc1nnn(C)n1)c1ccc(CO)cc1Br 2077211145 UZTOHIAXKLOUSO-UHFFFAOYSA-N 312.171 1.101 10 10 DDCE Cc1ccc(CN=c2[nH][nH]c(=N)s2)c(O)c1Br 2307453000 SFAXJPXFNFXDEK-UHFFFAOYSA-N 315.196 1.761 10 10 DDCE CCOC(=O)CCS(=O)(=O)N[C@@H](C)c1ccccc1O 867834380 NIKVNUMSEDDGFR-JTQLQIEISA-N 301.364 1.326 10 10 DDCE COc1cc(Cl)c(N2CCNC[C@@H]2C(=O)O)c(OC)c1 2368109102 VPHGGGGIARGFNX-SNVBAGLBSA-N 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COC(=O)[C@@H]1CSCCN(C(=O)c2cc(O)cs2)C1 839934543 LVHGCNVILPVCPR-QMMMGPOBSA-N 301.389 1.432 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCCCc2ncn(C)n2)c1 842902849 OLKBOGDLVISERU-NSHDSACASA-N 318.377 1.591 10 10 DDCE Nc1ccc(CCNC(=O)N2CC[C@@]3(CCCNC3)C2)cc1 841955487 DSVZDUXJIGTOPD-QGZVFWFLSA-N 302.422 1.596 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@H]1CNC(=O)C1 919082140 VQJWBGKAVYAMAF-CYBMUJFWSA-N 318.421 1.386 10 10 DDCE CN1C[C@H](CCNC(=O)/C=C\c2ccc(O)c(O)c2)CC1=O 927746571 NUEQPZKOIYVRGP-KTLBGCOUSA-N 304.346 1.096 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccccc1[S@](=O)C(F)(F)F 924415238 SVPRYDPAPYAGMV-NRFANRHFSA-N 322.260 1.629 10 10 DDCE COc1ccc(N2CC[C@H](NCc3cncnc3OC)C2)cc1 850347172 PCRNLMRPUARKHS-AWEZNQCLSA-N 314.389 1.862 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1c(O)cccc1Cl 697034759 AGKDZXVGHAPKOW-AAEUAGOBSA-N 319.810 1.289 10 10 DDCE COc1ccc(O)c(CNC(=O)[C@@]2(CC(C)C)CCNC2=O)c1 866767329 PQPCKTLANVAGFW-QGZVFWFLSA-N 320.389 1.569 10 10 DDCE CCOc1cccc(CNC[C@@]23COCCN2C(=O)OC3)c1O 865769301 WAPGCMUXBPHQEW-INIZCTEOSA-N 322.361 1.102 10 10 DDCE CC(=O)N[C@H](CC1CCC1)C(=O)N1Cc2cccc(O)c2C1 871205423 ZXZBPFOQUDSIFO-OAHLLOKOSA-N 302.374 1.929 10 10 DDCE C[C@H]1CO[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 895495190 OBZVRJFCRZZJEV-RHSMWYFYSA-N 318.417 1.907 10 10 DDCE CO[C@@H]1C[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 891243089 HCWNTGSSEIFWIV-BZUAXINKSA-N 305.422 1.506 10 10 DDCE COc1ccc(Br)c(CN[C@H]2C[C@@H](O)C2)c1O 1964052892 YKLDYKDEJNZSSZ-OCAPTIKFSA-N 302.168 1.776 10 10 DDCE Cn1nc(C(=O)NCc2c(O)cccc2O)cc1OC(F)F 1178912149 QTVDPAWOCMHSDO-UHFFFAOYSA-N 313.260 1.363 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)CC(C)C)cc1C 1331670488 ZFGIYSBDPJJCGQ-HNNXBMFYSA-N 308.422 1.616 10 10 DDCE COC(=O)c1cc(C(=O)NCc2ccc(N(C)C)cc2C)no1 1265093678 CTHXWKHFBRFHHZ-UHFFFAOYSA-N 317.345 1.766 10 10 DDCE COC(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccsc1 1448169021 PJJYFKORYVCEBF-CQSZACIVSA-N 321.354 1.732 10 10 DDCE COC(=O)[C@@]1(F)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1545383811 ZQCWCIBVIIJFCH-CQSZACIVSA-N 322.296 1.576 10 10 DDCE Nc1nnc([C@@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)o1 1470593987 RLJRQFKZANMGIN-SNVBAGLBSA-N 318.333 1.012 10 10 DDCE O=C(NCCn1ccnc1)c1cc2cc(O)c(O)cc2s1 1540921725 QKTMNKAFMSXECV-UHFFFAOYSA-N 303.343 1.939 10 10 DDCE CCCNCCN(CCO)C(=O)c1ccc(N=NC(N)=O)cc1 1717066824 HFDBOWINKFPDHD-UHFFFAOYSA-N 321.381 1.283 10 10 DDCE COC(=O)c1cc(CNC(=O)c2cccc(O)c2O)n(C)c1C 1636737301 KOGINQAGSVJLRM-UHFFFAOYSA-N 318.329 1.461 10 10 DDCE O=C(CNC(=O)c1cccs1)NCc1c(O)cccc1F 1635360270 HBPVQAXCBWZRMB-UHFFFAOYSA-N 308.334 1.639 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](N2CCC2)[C@H](F)C1 1568543928 PZYFQVBPVNOMCV-OLZOCXBDSA-N 308.353 1.285 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCN2CCCC[C@H]12 1644107744 MKTJKXGEMOPZJW-ZIAGYGMSSA-N 304.390 1.773 10 10 DDCE CS(=O)(=O)[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1588470586 CSHBQIRZLHDKIO-XYPYZODXSA-N 324.362 1.154 10 10 DDCE Cc1cc(OCCS(C)(=O)=O)ccc1N1CCCNCC1 161701032 XRQOXIQIVDMZPZ-UHFFFAOYSA-N 312.435 1.218 10 10 DDCE COc1ccc([N+](=O)[O-])cc1NN=NCCN1CCOCC1 1860492493 VRHBMOPWLVARSP-UHFFFAOYSA-N 309.326 1.715 10 10 DDCE O=C(Nc1nc(C2=S=CC=C2)n[nH]1)c1ccnn1C1CCC1 931797300 SZKRCUGUDDRJRY-UHFFFAOYSA-N 314.374 1.604 10 10 DDCE COCOc1cn(CCOc2ccc(N)cc2)c(C)cc1=O 1857916838 PAPOOFMPKILRTQ-UHFFFAOYSA-N 304.346 1.801 10 10 DDCE Cn1cc(CCNCc2ccc(Br)cc2O)nn1 1967723262 JBHHZQKOQUJXQF-UHFFFAOYSA-N 311.183 1.616 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N(CC(N)=O)Cc3ccccc3)ccc21 1946834858 JXAACKPQKHELOO-KRWDZBQOSA-N 324.384 1.391 10 10 DDCE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1Cc1ccc(N)cc1 1952756440 DDWARFLSTDOORM-CYBMUJFWSA-N 305.378 1.547 10 10 DDCE CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1ccc(O)c(O)c1 1982315921 ZTBDKUKPGSUFOS-SNAWJCMRSA-N 322.361 1.909 10 10 DDCE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)COc2ccc(N)cc2)C1 2152083858 QHCBSGWAEQRLDO-DOMZBBRYSA-N 320.389 1.648 10 10 DDCE CC(C)[C@@H](NCc1c(O)cccc1Br)C(N)=O 706855739 MWZHHJYKLRYZFF-LLVKDONJSA-N 301.184 1.754 10 10 DDCE COc1cccc(O)c1[C@H](C)n1ncc(C(=O)NC2CC2)c1O 2070499118 DNCLAMSPOBXOAC-VIFPVBQESA-N 317.345 1.804 10 10 DDCE CC(C)S(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(O)cc1O 2170585786 OONMGAOTYPCGEA-MNOVXSKESA-N 301.408 1.960 10 10 DDCE Oc1c(Br)cccc1CNCc1nnnn1C1CC1 2113073993 YALWNEHNQGRBKD-UHFFFAOYSA-N 324.182 1.766 10 10 DDCE COCCS(=O)(=O)CCN[C@H](C)c1cc(F)ccc1O 2204667077 KNCFYWPNSLEERC-SNVBAGLBSA-N 305.371 1.243 10 10 DDCE CS(=O)(=O)[C@H]1CCC[C@H]1NCc1ccc(F)c(F)c1O 2205994438 HQSYQGZRIKCLBK-MNOVXSKESA-N 305.346 1.726 10 10 DDCE CO[C@@H]1CC[C@H]1CS(=O)(=O)N1CCC[C@@H](CN=[N+]=[N-])C1 2239419138 WLVQNKCMJHHYNJ-SDDRHHMPSA-N 302.400 1.764 10 10 DDCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)c1cnc(C)[nH]1 70418350 SNKMEDSPVFDWOY-UHFFFAOYSA-N 308.407 1.901 10 10 DDCE O=C(COCCO)N(Cc1ccco1)Cc1ccccc1O 188924572 BQSULPSGMZOLPM-UHFFFAOYSA-N 305.330 1.523 10 10 DDCE CC(C)[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O 128942922 QEYXJGMPTZPRRO-SECBINFHSA-N 300.380 1.538 10 10 DDCE CNC(=O)[C@H]1CCCN1c1ccc(CN)cc1Br 212953537 XWAYCSUAROOOCZ-GFCCVEGCSA-N 312.211 1.623 10 10 DDCE CO[C@@H]1CN(c2ccc(CN)cc2Cl)[C@@H](CF)[C@H]1OC 2366427003 RLHWXNHVKNTNBW-BFHYXJOUSA-N 302.777 1.987 10 10 DDCE O=C(c1cccc(O)c1O)N1CCN(c2cccs2)C(=O)C1 193166181 ZTCZQTZVGWODNJ-UHFFFAOYSA-N 318.354 1.648 10 10 DDCE CCOc1ccc(N=N[C@H]2C(=O)N(C(N)=S)N=C2C)cc1 252460422 FFLPGYGYPSWSQF-LLVKDONJSA-N 305.363 1.999 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 808523855 JPFWRBNYGMNDGE-CQSZACIVSA-N 317.341 1.187 10 10 DDCE CC[C@H](NCc1cc(OC)c(OC)cc1O)[C@H](O)C(F)F 295082327 QNBNSGQFXCYWCX-ZANVPECISA-N 305.321 1.904 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCOC[C@H]1CC(F)F 804723163 SHKRXQZTLLRGJU-CJHWANRJSA-N 313.300 1.994 10 10 DDCE OCc1nnc2n1CCN(Cc1ccc3ccccc3c1O)C2 816516841 SQZAXTWXBKVTJC-UHFFFAOYSA-N 310.357 1.645 10 10 DDCE OCc1nnc2n1CCN(Cc1cc(Cl)c(F)cc1O)C2 816516612 LGQXZMWAHJMHOO-UHFFFAOYSA-N 312.732 1.284 10 10 DDCE O=S(=O)(CC[C@@H]1CCCCN1)Nc1ccc(O)c(F)c1 722227422 BQCYPSZTIRVUDB-JTQLQIEISA-N 302.371 1.805 10 10 DDCE C[C@@H]1CN(CCO)CCN1Cc1ccc(N2CCOCC2)cc1 825336967 BIKRYACCDUWXLQ-MRXNPFEDSA-N 319.449 1.022 10 10 DDCE Cn1c(/C=C2\SC(N3CCOCC3)=NC2=O)cnc1Cl 901443848 SPGOPSODDYRABM-TWGQIWQCSA-N 312.782 1.376 10 10 DDCE COc1ccc(CNC(=O)c2cn(CC3CC3)nn2)c(O)c1 831033485 WHZLVKBTLCKHFZ-UHFFFAOYSA-N 302.334 1.332 10 10 DDCE C/C(=C/C(=O)N1Cc2cccc(O)c2C1)CN1CCOCC1 913726132 IQMKAFSXQAFTIH-LCYFTJDESA-N 302.374 1.513 10 10 DDCE CN1CCN(c2ccc(CN3CCNC[C@@H]3C(F)F)cc2)CC1 843124989 VGJFGMUWQALWHU-MRXNPFEDSA-N 324.419 1.477 10 10 DDCE COc1ccc(N(C)CCN(C)C[C@@H](O)C(F)(F)F)cc1 844400678 GCLFDCKUHUYJOE-CYBMUJFWSA-N 306.328 1.986 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@H]1CCc2nncn2CC1 928709430 FEBNOWRMWNZPMZ-JTQLQIEISA-N 304.325 1.392 10 10 DDCE CC[C@](C)(CO)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855222874 BPHOMPCDIHLZNX-CXAGYDPISA-N 306.406 1.799 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)n3cncn3)C2)cc1 855233523 IBZAZYGYJCDRHG-QWHCGFSZSA-N 315.377 1.243 10 10 DDCE Cc1ccc(O)c(CNC(=O)NCCO[C@H]2CC2(F)F)c1 858608601 URCQGPKBBSHMSA-LBPRGKRZSA-N 300.305 1.924 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCCN(C)OC)C2)cc1 854296125 HARWKDXJFNFCKX-ZDUSSCGKSA-N 322.409 1.066 10 10 DDCE CN(C)c1ccc(CNCc2cn(C[C@H]3CCOC3)nn2)cc1 865404838 UCOFXGMAKLVDRH-OAHLLOKOSA-N 315.421 1.670 10 10 DDCE O=C1NCC2(CN(Cc3c(O)cccc3Br)C2)O1 862396831 AABRQMVCUOHTNQ-UHFFFAOYSA-N 313.151 1.449 10 10 DDCE Cc1nc(N)nc(NCc2ccc(N3CCOCC3)c(F)c2)n1 865452030 BEUPSRQBDXTIKP-UHFFFAOYSA-N 318.356 1.350 10 10 DDCE COC(=O)c1cc(OCCc2cnn(C)c2)ccc1N(C)C 871793648 ZZUOKISJYBOXQK-UHFFFAOYSA-N 303.362 1.894 10 10 DDCE Cc1cc(C)n(CC(=O)OCC(=O)c2ccc(O)c(O)c2)n1 782571005 CUKNJAIPPWHREQ-UHFFFAOYSA-N 304.302 1.337 10 10 DDCE Cn1cc(C(=O)NCc2cc(O)ccc2O)c(C(F)(F)F)n1 1303223378 NBTLSWGMJKWHIF-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE O=C(CSc1cccc[n+]1[O-])NCc1c(O)cccc1F 1303877422 DACSOZFNFHMHHR-UHFFFAOYSA-N 308.334 1.573 10 10 DDCE COC(=O)c1nc(C(=O)NCc2ccc(O)cc2O)cs1 1162279158 SWRXJGJSHFWDMH-UHFFFAOYSA-N 308.315 1.271 10 10 DDCE COC(=O)[C@H](C)NCc1c(Br)ccc(OC)c1O 1964552875 FFCRXADCFHFRPW-ZETCQYMHSA-N 318.167 1.814 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H]2C2OCCO2)cc1 1179493513 AARPQTRFOGHYIW-LBPRGKRZSA-N 318.333 1.827 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)Cc1ccccc1 1449217062 KEUWHJRAPJAURG-CQSZACIVSA-N 301.342 1.360 10 10 DDCE C=C1c2ccccc2C(=O)N1CC(=O)NCc1ccc(O)cc1O 1626838296 VQWXMUIDTPIFMP-UHFFFAOYSA-N 324.336 1.841 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)[C@@H]1CCC12CNC2 2123313391 BRFZEEYXNZDYNC-LLVKDONJSA-N 302.783 1.539 10 10 DDCE CN(C)c1ccc([C@@H](CNC(=O)c2n[nH]cc2F)N(C)C)cc1 1558723840 XJXADKROKWEZHJ-CQSZACIVSA-N 319.384 1.648 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](C(=O)N2CCCC2)C1 1638050459 WSCHRHVTLIDXGO-ZDUSSCGKSA-N 318.373 1.111 10 10 DDCE O=C(Nc1nnc2nc[nH]n12)c1cc2cc(O)c(O)cc2s1 1638157903 LVXLNOBQTNJKEU-UHFFFAOYSA-N 316.302 1.331 10 10 DDCE C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(F)F 1637657166 PMQSZPPYMKHAPG-ZCFIWIBFSA-N 308.306 1.147 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@H]2C[C@H](C)CO2)cc1C 1493634553 GOOMUGVIJFZQRI-SUMWQHHRSA-N 320.433 1.977 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(Cc2ncon2)CC1 1638838993 AUJYBXGDUXUDPD-UHFFFAOYSA-N 317.345 1.505 10 10 DDCE Cc1cccc(C(C)C)c1NC(=O)C[C@H]1C(=O)NN(C)C1=O 169996036 WAPTUSWFNINLBA-LBPRGKRZSA-N 303.362 1.566 10 10 DDCE Nc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(O)c(O)c(O)c1 1865875925 LIHHBWIBYSSHAQ-UHFFFAOYSA-N 305.246 1.546 10 10 DDCE O=C(NC1CCC2(CC1)OCCO2)c1cc(O)c(O)c(O)c1 1865875921 LEROCGFHORPJMH-UHFFFAOYSA-N 309.318 1.219 10 10 DDCE CCN(CCC(=O)O)C(=O)CCNCc1cc(C)ccc1O 1857864591 WCJUWJQSJMOBFW-UHFFFAOYSA-N 308.378 1.504 10 10 DDCE COC(=O)[C@](C)(N)c1cc(Br)cc(OC)c1O 1952264116 GLSLNYUDZVTXPL-LLVKDONJSA-N 304.140 1.510 10 10 DDCE COC(=O)C[C@](C)(N)c1cc(Br)cc(OC)c1O 1952338283 PIQJLKNSVGXPLK-LBPRGKRZSA-N 318.167 1.900 10 10 DDCE CN(Cc1ccc(N)cc1)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 1990004284 QKPPWNONYWGWPT-CYBMUJFWSA-N 323.393 1.113 10 10 DDCE Cn1ncc(Br)c1NC(=O)c1ccc(O)c(O)c1 2038259377 TZORKEWFMAPINO-UHFFFAOYSA-N 312.123 1.846 10 10 DDCE CCS(=O)(=O)[C@H]1CCN(Cc2ccc(F)c(F)c2O)C1 2179906780 AECIEJAWCFOSSM-JTQLQIEISA-N 305.346 1.679 10 10 DDCE C[C@H]1CSC[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 397914658 CUJANSBSSQYMCX-GWCFXTLKSA-N 316.448 1.319 10 10 DDCE CCN(c1ccc([C@@H](C)O)c(O)c1)[C@H](C)CS(C)(=O)=O 2170420107 JYMXPKQZCXBNNF-GHMZBOCLSA-N 301.408 1.705 10 10 DDCE CCOC(=O)c1cnn([C@@H](C)c2ccc(OC)cc2O)c1N 2070324183 BJRXFRLMJJIDFM-VIFPVBQESA-N 305.334 1.966 10 10 DDCE COc1ccc([C@H](C)n2nc(C3CC3)c(C(N)=O)c2N)c(O)c1 2080007479 PLPNDISAAGQIPS-QMMMGPOBSA-N 316.361 1.765 10 10 DDCE C[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(O)cc1O 2191411402 XTHJVEJMKPPAQK-JTQLQIEISA-N 301.408 1.962 10 10 DDCE C[C@@H](N=c1[nH]c(=N)[nH]cc1Br)c1ccccc1O 2072485030 FBMGHVCWXMOTOC-SSDOTTSWSA-N 309.167 1.952 10 10 DDCE Nc1cc2c(cc1N1CCC[C@@H](C3OCCO3)C1)OCCO2 2089606772 OEZBKKIMGOXJIN-LLVKDONJSA-N 306.362 1.629 10 10 DDCE COc1ccc(Br)c(CN2CC(CCN)C2)c1O 2220457580 WMRSDJOOOZHTQD-UHFFFAOYSA-N 315.211 1.944 10 10 DDCE COc1cc(OC)c(N2C[C@@H](O)C[C@@H](OC)C2)cc1Cl 2285876224 XIEJTQNMLLIPQG-VHSXEESVSA-N 301.770 1.943 10 10 DDCE Cc1ccc(CN(C)[C@H]2COC[C@@H]2N)c(O)c1Br 2327597706 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319.279 1.819 10 10 DDCE COC1(CCN)CN(Cc2cc(Br)ccc2O)C1 1916736981 GHPBDMIKJZBNHR-UHFFFAOYSA-N 315.211 1.704 10 10 DDCE COc1cc2c(cc1C(=O)NCc1c(O)cccc1O)OCO2 1635847152 IQBXVFJOMRFGGC-UHFFFAOYSA-N 317.297 1.765 10 10 DDCE COc1ccc(CN[C@H](C)CN(C)C(=O)[C@H](O)C(C)C)cc1C 1734324465 LULILBCWVVHSOR-RHSMWYFYSA-N 322.449 1.957 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN2C(C)=O)c1 157858381 GDLLSSCJEKDPDM-IINYFYTJSA-N 306.362 1.589 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)NCC(F)(F)F 127212819 YEIFLBWBRWYBBC-QMMMGPOBSA-N 312.313 1.782 10 10 DDCE CC(C)(C)OC(=O)N1CCN(Cc2ccc(N)cc2)C[C@@H](O)C1 1977921889 ZSPJEHQGKJFLSC-OAHLLOKOSA-N 321.421 1.682 10 10 DDCE O=C(CNCc1cc(Br)ccc1O)NCC(F)F 280284012 MAFLIYWWSPGOIJ-UHFFFAOYSA-N 323.137 1.626 10 10 DDCE C[C@H](C[C@@H]1CCCS1(=O)=O)NCc1cccc(F)c1O 2156773512 WRQBTIRPSSWNJJ-PWSUYJOCSA-N 301.383 1.977 10 10 DDCE CO[C@H]1C[C@H](CN)N(Cc2cc(Br)ccc2O)C1 2030285585 AWMHAQBBPTUXMM-NEPJUHHUSA-N 315.211 1.703 10 10 DDCE OCc1ccc(N2CCOC[C@@H](CO)C2)c(Br)c1 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O=C1CC(=O)NC(Sc2ncc(CNC3CCC3)s2)=N1 2240303704 MEDQHQZXXOVMKN-UHFFFAOYSA-N 310.404 1.280 10 10 DDCE CCNC[C@H](C)S(=O)(=O)NCc1cnc(SC)s1 2257099245 ZTSKCQORXNTTMA-QMMMGPOBSA-N 309.482 1.282 10 10 DDCE Cc1cc(N(C)CCN(C)S(C)(=O)=O)ccc1[C@@H](C)O 2285175324 KOBWJHLSYISKCC-GFCCVEGCSA-N 300.424 1.376 10 10 DDCE COCCCN(C)CCNC(=O)C=Cc1ccc(O)c(O)c1 2307987743 HSVTYVPOVFSTQB-UHFFFAOYSA-N 308.378 1.196 10 10 DDCE COCCc1cc(NC(=O)C=Cc2ccc(O)c(O)c2)n(C)n1 2308002011 NOASSYQQUPCESC-UHFFFAOYSA-N 317.345 1.672 10 10 DDCE Cc1ccc(CN[C@@H](CO)CCCO)c(O)c1Br 2327621034 JEFNWFDPYPOWAF-LLVKDONJSA-N 318.211 1.686 10 10 DDCE Cc1ccc(CN[C@@]2(C)CCNC2=O)c(O)c1Br 2327612838 PNYKMMSHZZGVSI-ZDUSSCGKSA-N 313.195 1.831 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)COCC2(C)C)s1 2346007437 LSNDTHXZQQLKPU-LBPRGKRZSA-N 302.421 1.834 10 10 DDCE CCCCOc1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc1 59862269 LTASKTWJABSIFN-JLHYYAGUSA-N 302.330 1.957 10 10 DDCE Cc1cnn(CCNC(=O)NCc2ccc(N(C)C)cc2)c1 117951599 HRTUZOQNHWSFJB-UHFFFAOYSA-N 301.394 1.757 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@@H](O)[C@H](O)C2)cc1Br 300515140 KJRDPAYQAJZADH-BZHVJNSISA-N 315.211 1.271 10 10 DDCE Nc1cc2c(cc1N1CCC3(CC1)OCCO3)CCC(=O)N2 316969538 KDECIHACTXOQLO-UHFFFAOYSA-N 303.362 1.497 10 10 DDCE O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1cnccn1 125858573 IYDGWVLOUZGBOS-ZZXKWVIFSA-N 310.357 1.965 10 10 DDCE C[C@@H]1CCC[C@@H](CS(=O)(=O)Nc2ccc(O)cc2N)O1 2364256526 LSQGDKOUXPBUOT-KOLCDFICSA-N 300.380 1.674 10 10 DDCE COc1ccc(N2CCN(C)CC2)cc1NC(=O)[C@H]1CCCO1 74586782 WDDYHWWOCDQOHF-MRXNPFEDSA-N 319.405 1.565 10 10 DDCE O=C(Cc1cc[nH]n1)NCc1cc(Br)ccc1O 804738203 HEETURXHSJOQQJ-UHFFFAOYSA-N 310.151 1.737 10 10 DDCE O=C(NCc1cc(Br)ccc1O)C1=COCCO1 804737674 NPJKRSFUAKUUKS-UHFFFAOYSA-N 314.135 1.659 10 10 DDCE O=C1CC[C@H](C(=O)NCc2cc(Br)ccc2O)N1 804734558 QWQJEEBMOIZMKY-SECBINFHSA-N 313.151 1.050 10 10 DDCE COC[C@@H](O)[C@H](N)c1c(Cl)ccc(Br)c1O 713768134 QCEKOZWEMKHOAB-APPZFPTMSA-N 310.575 1.815 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)Cn3ccnc3)C2)cc1 819583912 CACXSGMERRTRAG-CQSZACIVSA-N 314.389 1.534 10 10 DDCE Oc1ccc(CCNc2ccnc(N3CCOCC3)n2)cc1O 811811136 MXISKWBCTDEUHI-UHFFFAOYSA-N 316.361 1.379 10 10 DDCE C[C@@H](NC(=O)CC1(O)CCOCC1)c1ccc(N(C)C)cc1 907491174 CIANYOFOTWZFOY-CYBMUJFWSA-N 306.406 1.861 10 10 DDCE C[C@]1(NC(=O)c2cc3cc(O)c(O)cc3s2)CCOC1=O 908292488 IMCBKCWPSCWNFP-AWEZNQCLSA-N 307.327 1.748 10 10 DDCE COc1ccc(CCNC(=O)c2cc(O)c(O)c(O)c2)cc1 586735459 NINJQHIYRIAWKM-UHFFFAOYSA-N 303.314 1.785 10 10 DDCE O=C(Cc1cc(C2CC2)no1)NCCc1ccc(O)c(O)c1 830531912 OPEGZOJKWMHHHJ-UHFFFAOYSA-N 302.330 1.865 10 10 DDCE COC1(OC)CC[C@@H]1NCc1ccc(N2CCOCC2)cc1 924747949 BITXPHLWKRFWMU-INIZCTEOSA-N 306.406 1.764 10 10 DDCE Nc1ccc(CCNC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@H]23)cc1 843341916 IUICEZIFCXLCGA-YIUJPURBSA-N 308.381 1.255 10 10 DDCE C[C@@H](NC[C@@H](O)CS(C)(=O)=O)c1ccc(Cl)cc1O 927029377 ZTMJTSULZOWXAF-PSASIEDQSA-N 307.799 1.102 10 10 DDCE COC(=O)C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@H]1C 928175539 BQUZMJVXJIVKKX-DMBZQDCGSA-N 319.357 1.769 10 10 DDCE 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FHZYXEWAANIAGK-UHFFFAOYSA-N 301.394 1.161 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCn2ncnc21 1135914974 VVJNDNHOUAXPOA-HNNXBMFYSA-N 313.405 1.880 10 10 DDCE NC(=O)c1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1F 1136139868 XXKMHFVLXCVVRY-UHFFFAOYSA-N 304.277 1.517 10 10 DDCE CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H](C)c1ccccc1O 1151892184 KVJUZRLBTKRVBS-SECBINFHSA-N 323.374 1.104 10 10 DDCE COc1cc(Br)cc(CN2C[C@@H](C)[C@@H](O)C2)c1O 897683194 ASVDEIVOBRAPKE-KCJUWKMLSA-N 316.195 1.976 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CCN1C1CCCC1 1586783681 GCBVVQDVUPNMOD-CQSZACIVSA-N 304.390 1.773 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2CCCSC2)cc1 136311679 CWYSDWVKWPKJPF-GFCCVEGCSA-N 316.448 1.463 10 10 DDCE CCCN(CCCS(=O)(=O)NC)Cc1ccccc1O 111214350 SGRSSQBCVIVMMU-UHFFFAOYSA-N 300.424 1.544 10 10 DDCE CC(C)(C)OC(=O)N(CC(F)(F)F)[C@H](CN=[N+]=[N-])C(N)=O 698864509 CLEJFRZUZHHIFP-ZCFIWIBFSA-N 311.264 1.950 10 10 DDCE CC(C)[C@@](C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C(N)=O 1297711872 DQALJDSVVDDLDJ-OAHLLOKOSA-N 322.386 1.942 10 10 DDCE CC(=O)NN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 1089922 PPJAGEIQZJRUCI-POHAHGRESA-N 323.355 1.847 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCC(=O)OCC2CC2)cc1 1542658890 LVYSLWPDRDVTCK-UHFFFAOYSA-N 304.306 1.532 10 10 DDCE C[C@H]1CCc2[nH]nc(C(=O)NCc3cc(O)ccc3O)c2C1 1558175613 XPBLUBSWFGOONH-VIFPVBQESA-N 301.346 1.876 10 10 DDCE COc1cccc(CNC(=O)[C@H](c2cncn2C)N(C)C)c1O 1630365819 DXRZRSAGIFBVKP-AWEZNQCLSA-N 318.377 1.053 10 10 DDCE COc1ccccc1CONC(=O)Cc1ccc(O)c(O)c1 1568248962 HWSZOFJWRGYZBA-UHFFFAOYSA-N 303.314 1.897 10 10 DDCE COc1ccc(CN[C@@H](C)[C@@H](C)NC(=O)c2cnn[nH]2)cc1C 1733978772 MDUXBPMHTWVPKB-NWDGAFQWSA-N 317.393 1.418 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)c2cc[nH]c2)cc1C 1667826057 FICMPMXJXFLODJ-HNNXBMFYSA-N 317.389 1.212 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC2(CC1)C[C@H](O)CCO2 1597235143 BEJFITXWEVBLEJ-CYBMUJFWSA-N 321.373 1.173 10 10 DDCE COc1cc(O)c(CN2CCC(n3cncn3)CC2)cc1OC 160239646 PRPROJQXNTYUPW-UHFFFAOYSA-N 318.377 1.838 10 10 DDCE CC(=O)C(=O)[C@@]1(O)CCC[C@H](CCNC(=O)OC(C)(C)C)C1 1934974738 JMBYHJXGLHECGK-MLGOLLRUSA-N 313.394 1.981 10 10 DDCE CC(C)(C)OC(=O)NC[C@]1(c2ccc(O)c(O)c2)CCNC1 1952177572 KMAVQOIPJAENGY-INIZCTEOSA-N 308.378 1.854 10 10 DDCE O=C1Nc2cc(N3C[C@@H](O)C(F)(F)C3)c(Cl)cc2[C@@H]1O 2152094929 UWXYJLCCUYOYGM-ZJUUUORDSA-N 304.680 1.142 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@]3(CO)C2)c(Br)c1 2029636750 WYERFBNADOVIGP-SMDDNHRTSA-N 311.223 1.987 10 10 DDCE C[C@@H]1CCN(c2ccc(CN)c(Br)c2)[C@@H]1C(N)=O 2029785436 FHWWQUDNVIUGLE-PELKAZGASA-N 312.211 1.608 10 10 DDCE NCc1cc(F)c(N2CCO[C@H](CO)C2)cc1Br 310681218 MMOPAOQHAOXBAH-VIFPVBQESA-N 319.174 1.244 10 10 DDCE CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCc1c(O)cccc1F 2160771396 YOXLSCOQTRHGCP-GXTWGEPZSA-N 301.383 1.977 10 10 DDCE C[C@@H](N)c1ccc(N(C)[C@H]2COC[C@@H]2O)cc1Br 709329683 ILROTSOYHSEFRL-JCOFBHIZSA-N 315.211 1.665 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)[C@@H]1CCCN1c1ncccn1 2063630545 KAYPSQNYWADDAL-NSHDSACASA-N 300.318 1.495 10 10 DDCE CC(C)N(CCS(C)(=O)=O)[C@@H](C)c1c(O)cccc1O 2170139814 NQODRGWOILCZTA-NSHDSACASA-N 301.408 1.914 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1CCN(C2COC2)C1 2050394966 IJRBOFJRQQCSOI-SECBINFHSA-N 312.211 1.916 10 10 DDCE CSc1ncc(CNCC2(CS(C)(=O)=O)CC2)s1 2208637510 DRNLXECTJKJBQQ-UHFFFAOYSA-N 306.478 1.779 10 10 DDCE Cn1nc(Br)c(C(=O)N2CCC[C@@H]2CN=[N+]=[N-])n1 2219810416 KCXMUCNKKLQCLO-ZCFIWIBFSA-N 314.147 1.493 10 10 DDCE Cc1cc(CN)ccc1N(C)Cc1nn(C)nc1Br 2226985226 PFBKUEWHKAWFJN-UHFFFAOYSA-N 324.226 1.981 10 10 DDCE COc1cc(OC)c(N2C[C@@H](O)[C@H](O)C2(C)C)cc1Cl 2285918529 AHQYZBODRBAHIQ-MFKMUULPSA-N 301.770 1.678 10 10 DDCE COC(CNC(C)=C1C(=O)N(c2ccccc2)N=C1C)OC 2313682318 ZWLMRGALZYTHBO-UHFFFAOYSA-N 303.362 1.892 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CC[C@H](CN)C2)s1 2345347791 YQSBQBYUPLGYCC-UFBFGSQYSA-N 301.437 1.537 10 10 DDCE CC(C)N1C(=O)/C(=C\NCc2ccccc2)C(=O)N=C1S 103119996 DQYDPIIMRUJMDA-XFXZXTDPSA-N 303.387 1.723 10 10 DDCE CCOCCO[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2O)C1 178917015 KEFZTWCAXCBLII-AWEZNQCLSA-N 310.350 1.928 10 10 DDCE COc1cccc(CN2CCO[C@H](Cn3cccn3)C2)c1O 122274003 SCEMZJKVSGAOGC-AWEZNQCLSA-N 303.362 1.498 10 10 DDCE COCCCN(CCOC)S(=O)(=O)Cc1ccc(N)cc1 40348928 RXLSZSFNHNVXOS-UHFFFAOYSA-N 316.423 1.084 10 10 DDCE N[C@H](c1c(F)ccc(Br)c1O)C(F)(F)CO 95706725 VAZODYWGJCSKPT-MRVPVSSYSA-N 300.074 1.921 10 10 DDCE CCN[C@H](C)c1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)cc1O 93670590 RIXOEHRKUYZBSO-DGCLKSJQSA-N 312.435 1.686 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccn(-c2ccc(F)cc2F)n1 808536690 CTGDAVSCAGRLQM-UHFFFAOYSA-N 308.240 1.465 10 10 DDCE COCC[C@H](COC)NC(=O)NCc1cc(OC)ccc1O 812043494 MSURWNCTKUKSDD-GFCCVEGCSA-N 312.366 1.252 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)C(O)[C@@H](C)C2)c1O 827151996 OSGDSWXGYGUHIA-UWVGGRQHSA-N 310.350 1.758 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)c1nnc(N)s1 722242014 URPVDHFBMAHSOW-ZETCQYMHSA-N 314.392 1.208 10 10 DDCE CN1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]2C1 823030435 WTFUWSTVVLIOPW-OLZOCXBDSA-N 315.377 1.873 10 10 DDCE CN(C)c1ccc(CN2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 830014172 VMVYZIBAMNWXHL-MRXNPFEDSA-N 324.446 1.142 10 10 DDCE COc1cc(Br)cc(CN[C@@H](C)[C@@H](C)N)c1O 841077542 CIODYZCIIRKXFL-SFYZADRCSA-N 303.200 1.989 10 10 DDCE CCCN1C[C@@H](CNC(=O)NCc2c(O)cccc2F)CC1=O 922930531 JDJWQRHEUUUILK-LLVKDONJSA-N 323.368 1.589 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cnn(C)c3)C2)cc1 855230774 XTQFNJQXJPUMJR-ZDUSSCGKSA-N 300.362 1.437 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@H]2CCc3nc[nH]c3C2)c1 858469092 PQMCJSKHCMVESF-LBPRGKRZSA-N 300.362 1.780 10 10 DDCE O=C1NCC[C@@H]1NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 850340277 JLFIWBOGSQLYBX-ZDUSSCGKSA-N 318.377 1.563 10 10 DDCE COC(=O)c1cc(OCCCN2CCOC2=O)ccc1N(C)C 865396052 IETNCRUSTOPIHT-UHFFFAOYSA-N 322.361 1.760 10 10 DDCE COCCOCCN(CCO)Cc1c(O)ccc(Cl)c1F 862469047 XIMFCJIBXSHULB-UHFFFAOYSA-N 321.776 1.642 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)CC(=O)OC)c([N+](=O)[O-])c1 779427016 VXPNTIVUQFAKAM-ALCCZGGFSA-N 308.290 1.390 10 10 DDCE COCCOC1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 896800029 WSTVLBCCQACDSA-UHFFFAOYSA-N 323.370 1.800 10 10 DDCE C[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1nnc(O)n1C 895170517 FDQQUWCXFIFXQO-MRVPVSSYSA-N 311.336 1.716 10 10 DDCE Cn1nc(C(=O)NCc2ccc(O)cc2O)cc1C(F)(F)F 1570463522 SDKLLOULDVBOAY-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cn(Cc2ccccc2)nn1 1178905976 UNLDIPNKRXOKQW-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE CCOc1ccc(N2CCN(C[C@@H](O)C3(O)CCC3)CC2)cc1 1333870886 GZSLBKNHFPLGLT-QGZVFWFLSA-N 320.433 1.483 10 10 DDCE O=S1(=O)C[C@H]2[C@H](CNCc3ccc(Cl)cc3O)[C@H]2C1 2117984790 BRUJCQWOJDVUDC-CNDDSTCGSA-N 301.795 1.426 10 10 DDCE Cc1csc(NC(=O)CCN2C(=O)CSC2=S)n1 1865768199 MEIKCZDGPCEGIW-UHFFFAOYSA-N 301.418 1.640 10 10 DDCE CSc1nccnc1C(=O)NCCc1ccc(O)c(O)c1 1545669167 NQEBPFQDUBQPEY-UHFFFAOYSA-N 305.359 1.582 10 10 DDCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1cc(O)ccc1Br 1912195765 QTHVOXHJQKJXQG-SECBINFHSA-N 314.143 1.581 10 10 DDCE CCOC(=O)CCN(C(=O)Cc1ccc(O)c(O)c1)C(C)C 1583145924 UXLFRUFPWHTTIK-UHFFFAOYSA-N 309.362 1.831 10 10 DDCE C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(N2CCOCC2)cc1 159580953 YSKGXPSUWCHWDF-HOCLYGCPSA-N 317.433 1.609 10 10 DDCE Cc1nc2oncc2c(=O)n1CCCOc1ccc(N)cc1 586031931 LRFFFDTVZAKSEY-UHFFFAOYSA-N 300.318 1.744 10 10 DDCE CN1CCN(C(=O)CCNCc2cc(Cl)ccc2O)CC1 1857864981 PZFWXPHEKCNKTL-UHFFFAOYSA-N 311.813 1.299 10 10 DDCE CCN[C@@H](c1ccccc1O)[C@@H](O)CNC(=O)OC(C)(C)C 1922497162 XVXNQVXNEWPMIX-KBPBESRZSA-N 310.394 1.928 10 10 DDCE Oc1ccc(I)cc1[C@H]1NCCC[C@@H]1O 1952607923 MHZJYLILRWNEFD-WDEREUQCSA-N 319.142 1.782 10 10 DDCE O=S1(=O)CCN[C@H](c2ccc(Br)cc2O)C1 1952602185 RUIKXFXUSHYOBX-VIFPVBQESA-N 306.181 1.214 10 10 DDCE O=C(O)[C@H]1[C@H]2CN(Cc3cc(Br)ccc3O)C[C@H]21 2027567663 LPDMMANZSAMHEM-PEGIJTEDSA-N 312.163 1.917 10 10 DDCE CN1CCOC[C@@H]1CNCc1cc(Br)ccc1O 700189966 GUEWESSDFWHWAX-LBPRGKRZSA-N 315.211 1.575 10 10 DDCE CSC1CCN(S(=O)(=O)Cc2ccc(N)cc2)CC1 311372677 GTOFRKNWVKQLJI-UHFFFAOYSA-N 300.449 1.926 10 10 DDCE CCS(=O)(CC)=NS(=O)(=O)CCOc1ccc(N)cc1 312769786 XRQQFCLXFDNXDK-UHFFFAOYSA-N 320.436 1.485 10 10 DDCE C[C@@H]1C[C@@H](NS(=O)(=O)CCOc2ccc(N)cc2)CS1 397972847 NMHGIDVUBAJVFC-ZYHUDNBSSA-N 316.448 1.461 10 10 DDCE COC1(CF)CN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)C1 2168730151 ABTRNVRREKWCIQ-LLVKDONJSA-N 300.717 1.500 10 10 DDCE O=C(O)CN1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1 2169308613 CGQSOMQDQIBSHD-JTQLQIEISA-N 319.188 1.948 10 10 DDCE C[C@H](O)c1cc(F)c(N(C)[C@@H]2CCS(=O)(=O)C2)c(F)c1 2194507324 BECCJKOJCZMSLR-WCBMZHEXSA-N 305.346 1.641 10 10 DDCE CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCO 2293020921 XFKKTGWSKMDNHF-UHFFFAOYSA-N 316.386 1.875 10 10 DDCE Cc1ccc(C=C2C(=O)NC(=O)N(C[C@H]3CCCO3)C2=O)s1 2296756238 PYZRUFWYEWOGBS-SNVBAGLBSA-N 320.370 1.697 10 10 DDCE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C=Cc1ccc(O)c(O)c1 2307986229 HMSPSHRQNWDPSH-ZYHUDNBSSA-N 304.346 1.223 10 10 DDCE CC[C@H](C)[C@H](NC(N)=O)C(=O)NCc1ccc(N(C)C)cc1 8171220 YAZTVTQDEWHLLB-FZMZJTMJSA-N 306.410 1.452 10 10 DDCE C[C@@H](O)c1cc(F)c(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)c(F)c1 2361599365 SNVAMKSWJJNELA-GMEUVTARSA-N 303.330 1.251 10 10 DDCE C[C@H](NCC1CN(S(C)(=O)=O)C1)c1cc(F)ccc1O 187817808 OOCUAYZMUJPHBW-VIFPVBQESA-N 302.371 1.073 10 10 DDCE N[C@H](CO)c1cc(Br)cc(Br)c1O 72199841 KSCCPMAIXJLQPD-SSDOTTSWSA-N 310.973 1.909 10 10 DDCE COc1cccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)n1 180998804 CDBTWDYTMQIVII-SOFGYWHQSA-N 300.314 1.831 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(N)cc2)[C@H](O)C1 719100625 KWZGBSQGPHACTD-UONOGXRCSA-N 307.394 1.339 10 10 DDCE COC(=O)[C@@H]1OCC[C@@H]1NCc1cc(Cl)c(F)cc1O 826957876 JTWSLMZITXOGGJ-CMPLNLGQSA-N 303.717 1.605 10 10 DDCE Cn1nccc1[C@H]1CCCN1Cc1cc2c(cc1O)OC[C@H]2O 905735817 OTHUFVKBPNNEJU-GDBMZVCRSA-N 315.373 1.889 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@@]3(C)C[C@H](O)CN3C)ccc21 900432500 CZYOVFIDROXTQL-MAUKXSAKSA-N 317.433 1.140 10 10 DDCE Cc1ccc(N2CC(CNCc3ccc4c(c3)CCO4)C2)nn1 585588449 ROAUGOVVXTYTBO-UHFFFAOYSA-N 310.401 1.946 10 10 DDCE CNS(=O)(=O)C[C@@H]1CCCN1Cc1cc2c(cc1O)CCC2 749972728 UOYYYKFIGXZPOG-HNNXBMFYSA-N 324.446 1.395 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@]3(CCSC3)C1)OCO2 842624653 ODTSAVCIXJONEA-OAHLLOKOSA-N 309.387 1.829 10 10 DDCE O=C1N[C@@]2(C(=O)NCc3cc(Cl)ccc3O)C[C@H]3C[C@H]1[C@H]2C3 846477009 PWVURGLJGPMDRU-YIPACVIGSA-N 320.776 1.577 10 10 DDCE O=C(NCc1c(O)cccc1F)c1ccnc(N2CCCC2)n1 928704872 FYRNOTBWZCEYHX-UHFFFAOYSA-N 316.336 1.852 10 10 DDCE CCNC(=O)[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)C(C)C 868647269 GEBOVPORWRBYDQ-FZMZJTMJSA-N 307.394 1.913 10 10 DDCE C[C@@H](NC(=O)[C@H](O)C1CCOCC1)c1ccc(N(C)C)cc1 775403198 HKJSZRWIZITHGR-MLGOLLRUSA-N 306.406 1.717 10 10 DDCE COC(=O)[C@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 897977579 VOIZBOXXQBZBEA-DTORHVGOSA-N 321.354 1.994 10 10 DDCE NS(=O)(=O)C[C@@H]1CCCN1Cc1c(O)ccc(Cl)c1F 792165882 LYRIMBOZRFMRRQ-QMMMGPOBSA-N 322.789 1.438 10 10 DDCE CCNC(=O)C(C)(C)NC(=O)c1cc2cc(O)c(O)cc2s1 897948868 AGTFWVYDKLJHDP-UHFFFAOYSA-N 322.386 1.957 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccccc1Cn1ccnn1 1304053323 IKBLTDDLXCMOIW-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE Cc1nc(O)nc(S)c1C(=O)N[C@@H](C)c1ccccc1O 1302538472 RZXUYWDNQNYYTH-ZETCQYMHSA-N 305.359 1.976 10 10 DDCE Cc1ccc(C(=O)Nc2cc(CO)cc(CO)c2)c(O)c1O 1168671808 GRHDARKPYFXPPH-UHFFFAOYSA-N 303.314 1.643 10 10 DDCE NC(=O)Nc1ccc(C(=O)NCc2cccc(O)c2O)cc1 1176566450 XBMRWRHYYZYBQW-UHFFFAOYSA-N 301.302 1.518 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CC[C@@H](CF)C2)cc1 711502307 BBBMMPIEHWEOSQ-NSHDSACASA-N 302.371 1.269 10 10 DDCE [N-]=[N+]=NCCCNC1(C(N)=O)CC(OCc2ccccc2)C1 716244990 CYHUPFUNCORWNJ-UHFFFAOYSA-N 303.366 1.880 10 10 DDCE COc1ccc(N(C)CCN(C)C[C@H](O)CC2(O)CCC2)cc1 1335012817 LMIVHTRVLYWOBJ-MRXNPFEDSA-N 322.449 1.729 10 10 DDCE CCC[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CCO1 1330418912 QXQMKNLHIVKBCL-ZDUSSCGKSA-N 318.373 1.262 10 10 DDCE C/C=C(/C)C(=O)NC[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1354322196 MCQFMUUBQIGHDO-YAEJEKNGSA-N 321.377 1.300 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](c2ncc[nH]2)C1 1443097877 VWUAPDCUOKKZDS-GFCCVEGCSA-N 301.346 1.770 10 10 DDCE CCOCC(=O)N(C)[C@@H](C)CNCc1ccc(OC)c(C)c1 1714529186 FNSLJCVFUILVLN-AWEZNQCLSA-N 308.422 1.977 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)c1c(Br)cnn1C 1912177849 KYIUUGMEECWAFL-UHFFFAOYSA-N 301.148 1.955 10 10 DDCE O=C(NCc1cccc(O)c1O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12 1637045857 KTBPLMNDMLSEIN-SGTLLEGYSA-N 324.336 1.624 10 10 DDCE Cc1cnc2c(cnn2CC(=O)NCc2cccc(O)c2O)c1 1643812979 UUFCDCTZLMORJR-UHFFFAOYSA-N 312.329 1.467 10 10 DDCE COC1CCN(c2ccc(CN3C[C@@H](CO)[C@@H](O)C3)cc2)CC1 1654688285 QIAFTGXOLLENNT-YJBOKZPZSA-N 320.433 1.087 10 10 DDCE CC(C)(C)CC(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 169911880 PWTSVIRLESNTPZ-UHFFFAOYSA-N 310.350 1.086 10 10 DDCE C[C@H]1CN(C(=O)CNCc2ccc(N(C)C)cc2)C[C@@H](C)O1 1857865637 WUWGVJHEFUOAGQ-OKILXGFUSA-N 305.422 1.478 10 10 DDCE CN1C(C)(C)[C@H](NCc2ccc(F)cc2O)CS1(=O)=O 1967826100 XDLGODFZYCCYOZ-GFCCVEGCSA-N 302.371 1.043 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@]1(C(=O)O)c1cc(O)nc(O)c1 1952930763 NLPMABSWYDWYRC-CLAHSXSESA-N 310.306 1.112 10 10 DDCE CO[C@H]1CN(c2ccc(N)cc2)C[C@H]1NC(=O)OC(C)(C)C 1975272703 LSXUHZDMVPHBGH-KGLIPLIRSA-N 307.394 1.997 10 10 DDCE C[C@H]1C[C@@H](F)CN1S(=O)(=O)CCOc1ccc(N)cc1 2160293771 CLYDCEBQFHJCGI-WDEREUQCSA-N 302.371 1.410 10 10 DDCE CSC[C@H](C)CNS(=O)(=O)CCOc1ccc(N)cc1 70490919 BJEQPXYYYMWJAC-LLVKDONJSA-N 318.464 1.566 10 10 DDCE CCSCCNS(=O)(=O)CCOc1ccc(N)cc1 311660877 WGCZRIXEVNQGRG-UHFFFAOYSA-N 304.437 1.320 10 10 DDCE O=C1NC(=S)SC1=Cc1cc([N+](=O)[O-])cc2c1OCOC2 2053511688 DNNQSWHGSZUHFO-UHFFFAOYSA-N 324.339 1.950 10 10 DDCE CN[C@@H](C)c1ccc(N(C)CCCS(C)(=O)=O)cc1O 694155863 RQEXQQLWAGGBCJ-NSHDSACASA-N 300.424 1.544 10 10 DDCE CC(C)N1CCN(CCCC(=O)Nc2ccc(O)c(O)c2)CC1 2063394198 ASAYHNBYZJGPKG-UHFFFAOYSA-N 321.421 1.843 10 10 DDCE CCS(=O)(=O)[C@@H]1CCN(c2ccc([C@H](C)O)cc2F)C1 2179898247 FLQXWDSYLYDCQN-CMPLNLGQSA-N 301.383 1.892 10 10 DDCE CC(C)S(=O)(=O)C[C@@H](C)NCc1ccc(O)c(O)c1O 2170591231 YQHXGBXBUQBTOY-SECBINFHSA-N 303.380 1.105 10 10 DDCE C[C@@H](Cn1cnnc1)NCc1cc(Br)ccc1O 2066623670 VIOLIKQWDPDWHA-VIFPVBQESA-N 311.183 1.925 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)N1CCC[C@H]1CO 2105581212 CFCLWKUCXJSCLC-QMMMGPOBSA-N 306.771 1.159 10 10 DDCE Cn1nc(Br)c(C(=O)N2CC[C@@H](N=[N+]=[N-])C2)n1 2214376724 KLZKCEYJRBVDJW-RXMQYKEDSA-N 300.120 1.102 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@@H]2[C@@H](O)CO)cc1Br 2258330782 JSHBRANKUVVZHM-CKLFPEKLSA-N 316.195 1.434 10 10 DDCE CSc1ncc(CNC(=O)[C@@H](N)C[C@H]2CCCO2)s1 2269094281 HNZWBCFKJZPIJV-SCZZXKLOSA-N 301.437 1.378 10 10 DDCE COc1cccc(N2C(=O)NC(=O)C(=Cc3ccc[nH]3)C2=O)c1 2296079811 XJNICTAUXNECBD-UHFFFAOYSA-N 311.297 1.690 10 10 DDCE C[C@@H](N)c1ccc(N2CC([C@H](O)CO)C2)c(Br)c1 2315166371 MDPVEKLOTBCYRX-AMIZOPFISA-N 315.211 1.258 10 10 DDCE Cc1ccc(CNC(=O)[C@H]2C[C@@H](C)N2)c(O)c1Br 2327804043 KQGNOWICGVBNBK-PSASIEDQSA-N 313.195 1.830 10 10 DDCE COc1ccc(N=NN2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] 2330282034 APUYYEVNYGFRBX-UHFFFAOYSA-N 307.310 1.799 10 10 DDCE C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H](C)O1 301603598 LCGXWRXQLOYGMX-DTORHVGOSA-N 307.306 1.539 10 10 DDCE Cc1cnn(C[C@H]2CN(Cc3cc(F)ccc3O)CCO2)c1 180117600 UQZFFTFOFWVFRX-OAHLLOKOSA-N 305.353 1.937 10 10 DDCE CO[C@@H](CCS(C)(=O)=O)CNCc1cc(F)ccc1O 2364091516 FPCOKXWCLOEATH-LBPRGKRZSA-N 305.371 1.071 10 10 DDCE C[C@@H](NC[C@H]1CN(C)CCO1)c1ccc(N2CCOCC2)cc1 180485490 MAOUAZCMJXDKIR-QAPCUYQASA-N 319.449 1.504 10 10 DDCE COc1ccc(S(=O)(=O)NCCCN=[N+]=[N-])c([N+](=O)[O-])c1 42013279 QNUDIJJDWLLPHO-UHFFFAOYSA-N 315.311 1.582 10 10 DDCE C=Cc1cc(OC)cc2c1N(CCC(=O)O)CCN(C)C2=O 527430875 IIQSXWRQCUAYGE-UHFFFAOYSA-N 304.346 1.705 10 10 DDCE CCN(C(=S)Nc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1 242953835 HGNIKDBYDJVMPC-LBPRGKRZSA-N 313.448 1.475 10 10 DDCE COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(C)c(O)c1O 276114695 ALFTVZLJOVZJID-GVXVVHGQSA-N 319.357 1.820 10 10 DDCE CC(=O)c1cc(F)cc(CN(C)[C@H]2CCN3CCO[C@H]2C3)c1O 295581168 ZKOIQXFAEUMKQA-HOTGVXAUSA-N 322.380 1.639 10 10 DDCE CC(=O)C(=O)COC(=O)c1n[nH]c(C2CC2)c1Br 808527637 KXJPCNLULKHFEI-UHFFFAOYSA-N 315.123 1.365 10 10 DDCE CC[C@@H](NC[C@@]1(OC)CCS(=O)(=O)C1)c1ccccc1O 903366671 UPBLCKNWNOEDPK-HIFRSBDPSA-N 313.419 1.637 10 10 DDCE C[C@@H](O)[C@H]1CN(Cc2cccc(Br)c2O)CCO1 840977596 LCLISIGVBUEZSS-BXKDBHETSA-N 316.195 1.736 10 10 DDCE CCCN[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852843546 AOYIVMFLJZPTBD-UONOGXRCSA-N 305.422 1.778 10 10 DDCE C[C@@H]1O[C@H](C)[C@H](NCC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C 859828262 TWDVOHNCPLKMMS-KYZVSKTDSA-N 319.449 1.770 10 10 DDCE C[C@H](Cn1cncn1)NCc1ccc(N2CCC(O)CC2)cc1 850569024 QKZIJAJGYHFPPU-CQSZACIVSA-N 315.421 1.418 10 10 DDCE C[C@H](NC[C@@]1(OCCO)CCOC1)c1cc(F)cc(F)c1O 850506054 BRDHSGCYOPUQFB-BONVTDFDSA-N 317.332 1.489 10 10 DDCE Nc1ccc(NC(=O)C(=O)NCCC2SCCS2)cc1 850859709 SHOFRLWSVGFSOE-UHFFFAOYSA-N 311.432 1.520 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(C)n([C@H]2CCCOC2)c1C 860364259 LGXKUQKQRSQWCU-ZDUSSCGKSA-N 307.346 1.771 10 10 DDCE C[C@@H]([C@@H](C)N(C)Cc1ccc(F)c(F)c1O)S(C)(=O)=O 876738963 MOQZSLLOVSDINS-BDAKNGLRSA-N 307.362 1.924 10 10 DDCE O=C(Cc1cn2cc(F)ccc2n1)NCc1ccc(O)cc1O 1162285877 PSGOLKDUVGUOBW-UHFFFAOYSA-N 315.304 1.744 10 10 DDCE CNC(=O)[C@H]1CCN(Cc2ccc(Br)cc2O)C1 691672817 AZPSLHPWWMUBPP-JTQLQIEISA-N 313.195 1.723 10 10 DDCE O=C(Nc1ncn(Cc2cccnc2)n1)c1cc(O)cs1 1330738728 DIPKAZSSZAIMAW-UHFFFAOYSA-N 301.331 1.741 10 10 DDCE C[C@@H]1CSCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1330418435 OCUUKGQNGWAZFR-SNVBAGLBSA-N 306.387 1.198 10 10 DDCE CN1CCCc2cc(CNC(=O)c3ccnc(CO)c3)ccc21 1542389810 OHOAJMCFAZIPAE-UHFFFAOYSA-N 311.385 1.886 10 10 DDCE Cc1cc(C)n(CCCNC(=O)Cc2ccc(O)c(O)c2)n1 1540255811 POTNOHDGABTWFN-UHFFFAOYSA-N 303.362 1.660 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)[C@@H]2CCCOC2)cc1 1639147832 NQXYTZAMFBBRBY-DGCLKSJQSA-N 320.349 1.366 10 10 DDCE CN1CCCC(C)(C)[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 1568641212 PTTUBBIICYNLAJ-HNNXBMFYSA-N 306.406 1.877 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cccc2nc(CO)[nH]c12 1566358447 DCWYPZPKYFFMQG-UHFFFAOYSA-N 313.313 1.396 10 10 DDCE C[C@H](NC(=O)c1cccnc1OCCO)c1ccccc1O 1643745603 UASMMQUHNKKYOH-NSHDSACASA-N 302.330 1.649 10 10 DDCE CNCc1ccc(N(C)[C@H](C)C(=O)NC)cc1Br 1916203264 XCHCFATZNQMCBL-SECBINFHSA-N 314.227 1.739 10 10 DDCE CC(C)(C)OC(=O)NC1[C@@H]2CN(Cc3cc(N)ccc3O)C[C@@H]12 1978506168 MKHBDAFMUXPIKU-CHWSQXEVSA-N 319.405 1.929 10 10 DDCE CSCC[C@@H](O)CCNS(=O)(=O)Cc1ccc(N)cc1 2146566387 JBETYFAJXKOANJ-ZDUSSCGKSA-N 318.464 1.192 10 10 DDCE C[C@H](N)c1ccc(N2CC(CS(=O)(=O)C(F)F)C2)cc1 2173183107 NGHYUSBLNVBHGE-VIFPVBQESA-N 304.362 1.780 10 10 DDCE CO[C@@H](C1CC1)[C@@H](C)NC(=O)c1cnn2c(O)cc(C)nc12 2062575490 FCPPPBCQDVNGEO-NOZJJQNGSA-N 304.350 1.287 10 10 DDCE C[C@@H]([C@@H](C)N(C)c1c(F)cc(CO)cc1F)S(C)(=O)=O 2170657792 SAZQEVIKRTZMLF-BDAKNGLRSA-N 307.362 1.715 10 10 DDCE CNC(=O)OCCNCc1cc(Br)cc(F)c1O 2042969604 GXNQRMLXSZDZHR-UHFFFAOYSA-N 321.146 1.739 10 10 DDCE CN(Cc1c(O)cccc1Br)[C@@H]1CC(=O)NC1=O 2051513209 HHQIREOLIYYQPS-SECBINFHSA-N 313.151 1.002 10 10 DDCE Cn1c(C2=C[C@H](O)[C@H](N)C2)nc2cc(Br)ccc21 2067764452 AORCHSHJKLWSAN-SKDRFNHKSA-N 308.179 1.811 10 10 DDCE CCNCc1ccc(N2CC(S(C)(=O)=O)C2)c(Cl)c1 2095966865 SDORLQAJWRHLHW-UHFFFAOYSA-N 302.827 1.683 10 10 DDCE CC(C)(C)OC(=O)N1CCCC[C@H]1CCOc1nnc(=N)[nH]n1 2210646350 ZIOGOHWZYLXKEB-JTQLQIEISA-N 324.385 1.238 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)N2CCCc3n[nH]cc32)c1 493323449 OQOVCRUXAVDTOH-SNAWJCMRSA-N 311.345 1.157 10 10 DDCE Cc1ccc(CN(CCN)CCN)c(O)c1Br 2307481424 DWYMQZHLMJLUFI-UHFFFAOYSA-N 302.216 1.183 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CCCSCC2)cc1 70490759 LQKGAGITOUEJGV-UHFFFAOYSA-N 316.448 1.416 10 10 DDCE CS(=O)(=O)[C@H](C(=O)N1CCC[C@H](N=[N+]=[N-])CC1)C1CC1 2361143119 OMVZDLDLWYYHLW-QWRGUYRKSA-N 300.384 1.501 10 10 DDCE COc1c(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1C 63274875 PQVRGHWPAZYUNB-UHFFFAOYSA-N 302.330 1.746 10 10 DDCE Cc1nc(CNC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)cs1 41011322 PQDSCJDRPCACIM-NSHDSACASA-N 307.375 1.049 10 10 DDCE C[C@H](CO)N(C)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 228529584 GSCQFXVYTMYKKD-KSBSHMNSSA-N 314.183 1.218 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@@H](C)C(=O)O 49051547 URZVXDKQULUJRP-NSHDSACASA-N 314.407 1.377 10 10 DDCE CCOc1ccc(O)c(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c1 245809352 ZBYCEOHGFFURFT-VXGBXAGGSA-N 313.419 1.798 10 10 DDCE CC[C@@](C)(O)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255868768 BBIPMSIMVBOPJU-OTIVFRFGSA-N 318.417 1.814 10 10 DDCE COc1ccc(O)c(CN2CCOC[C@@H]2c2noc(C)n2)c1 369461233 HZYNTYXAYULQRX-CYBMUJFWSA-N 305.334 1.666 10 10 DDCE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CC1=O 374200948 GOCZDNMUXRYUKR-KWCYVHTRSA-N 317.389 1.543 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](c1ccccc1)N1CCSCC1 808519747 DIFVUBODECUIMA-HNNXBMFYSA-N 321.398 1.478 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(-n2c(C)cnc2O)cc1 808507868 YHWHMDNGJPLTIU-UHFFFAOYSA-N 302.286 1.201 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@H]3OC)C2)cc1 823201347 BTRQMWWINBVUKD-DAXOMENPSA-N 304.390 1.673 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H](O)C3CCC3)CC2)cc1 823649803 TYSVXJDTUJKKRJ-MRXNPFEDSA-N 304.390 1.505 10 10 DDCE COc1ccc(N2CC[C@@H](N[C@H](C)c3cn(C)nn3)C2)cc1 903047355 MEGCXGJMJVMFJP-CHWSQXEVSA-N 301.394 1.753 10 10 DDCE COC(=O)[C@H](C)CNC(=O)c1cc2cc(O)c(O)cc2s1 900503066 ZUQKINQMWWBOGK-SSDOTTSWSA-N 309.343 1.851 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCN3C(=O)NC(=O)[C@H]3C2)cc1 835045785 ZDTJXYPPWILUJH-ABCZVMIZSA-N 314.389 1.002 10 10 DDCE Nc1ccc(CCNC(=O)NCC[C@H](O)C(F)(F)F)cc1 841957915 FMGSJTRVDAVUFB-NSHDSACASA-N 305.300 1.424 10 10 DDCE C[C@H]1CC[C@@H](C)CN1Cc1cc(O)n2ncc(C(=O)O)c2n1 846248333 WSJUDVUFWFYOKI-ZJUUUORDSA-N 304.350 1.754 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cn(C2CCC2)nn1 843831486 GSPPAIBKGUPXMK-UHFFFAOYSA-N 302.334 1.387 10 10 DDCE Cn1cnc(CCCNC(=O)NCc2c(O)cccc2F)n1 923031087 SNGTVISACSPWPY-UHFFFAOYSA-N 307.329 1.092 10 10 DDCE CC[C@@H]1NCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 851640350 UPIVUBBLKDENED-COXVUDFISA-N 317.433 1.778 10 10 DDCE Cc1cccc(-n2c(C)cc(C(=O)NC[C@H](O)[C@H](C)O)c2C)c1 871121163 BUCKUBLVHHTKJZ-YOEHRIQHSA-N 316.401 1.874 10 10 DDCE COc1ccc(N2CCC(NCCOCCCO)CC2)cc1 1117583207 FCWGZJNTYYDLAI-UHFFFAOYSA-N 308.422 1.653 10 10 DDCE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(C)c(O)c3O)[C@@H]2C1 888466647 UFNQHAHLXVGXHR-WFFHOREQSA-N 319.357 1.724 10 10 DDCE COCCN(Cc1cc2c(cc1O)OCO2)Cc1ccnn1C 787332609 RWYVORNJKVOBJM-UHFFFAOYSA-N 319.361 1.503 10 10 DDCE CC1(C(N)=O)CN(Cc2cc(Br)cc(F)c2O)C1 895075372 DOLYOHQJFCQLLA-UHFFFAOYSA-N 317.158 1.601 10 10 DDCE Cc1cc(=O)c(C(=O)NCc2c(O)cccc2O)cn1C1CC1 1304053850 UHCWVYQEGXZITC-UHFFFAOYSA-N 314.341 1.833 10 10 DDCE Nc1nc(NCCc2ccc(O)c(O)c2)nc(C(F)(F)F)n1 1306987593 DICCWRLOVZOJLA-UHFFFAOYSA-N 315.255 1.538 10 10 DDCE Nc1c(C(=O)NCc2cc(O)ccc2O)cnn1-c1ccccc1 1176754280 AGCRYIQHFPEBQZ-UHFFFAOYSA-N 324.340 1.796 10 10 DDCE CN(CCN=[N+]=[N-])C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1890412782 UAMATIPHTUPYIP-SECBINFHSA-N 301.347 1.031 10 10 DDCE CC[C@@]1(C)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1332040772 AFEPBSAQRAPDCR-KRWDZBQOSA-N 302.374 1.883 10 10 DDCE C[C@@H]1CC[C@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CN1 1348437323 VVJVAPOINPTZEV-ZBFHGGJFSA-N 320.456 1.808 10 10 DDCE CN(C(=O)/C=C\c1cn(C)cn1)c1cccc(S(C)(=O)=O)c1 1266287613 ZEERTLWOAZXJIW-FPLPWBNLSA-N 319.386 1.500 10 10 DDCE CN(C)c1ccc(CNC(=O)/C=C\c2ccc(C(N)=O)o2)cc1 1524861678 NEYGSTLRLRZCPL-NTMALXAHSA-N 313.357 1.774 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](CO)c1ccc(F)cc1 1451473788 VLNBQLYNSOVCHH-ZDUSSCGKSA-N 319.332 1.672 10 10 DDCE CC(C)(C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc(=O)o[nH]1 1469342339 LXWYLFYJUSFWKK-LBPRGKRZSA-N 321.333 1.220 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C1=C2CCCN=C2NN1 1627690114 WGPKBMVAEXVZQD-UHFFFAOYSA-N 313.405 1.231 10 10 DDCE Cc1cnc2nc(C(=O)NCc3cc(Cl)ccc3O)nn2c1 1557386700 LFOYIXKZMGYCGG-UHFFFAOYSA-N 317.736 1.722 10 10 DDCE NC(=O)COc1cccc(C(=O)N2Cc3cccc(O)c3C2)c1 1636231049 OROOKXPTNOGBHC-UHFFFAOYSA-N 312.325 1.412 10 10 DDCE C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 1633018153 GWEKYZBHYSJZJM-VIFPVBQESA-N 324.362 1.108 10 10 DDCE Cc1cc(NCc2c(O)cccc2O)nc(S(C)(=O)=O)n1 1651452409 ZURYFOHDLMKZNF-UHFFFAOYSA-N 309.347 1.212 10 10 DDCE O=C(NCCCc1nc[nH]n1)NCc1cccc(Cl)c1O 1683850593 XHJLQAWPZCEAEY-UHFFFAOYSA-N 309.757 1.596 10 10 DDCE CCN[C@H]1C(=O)Nc2cc(N3CC[C@H](CO)C3)c(Cl)cc21 167817358 ZZXGFZMGVXJEQI-LKFCYVNXSA-N 309.797 1.761 10 10 DDCE C[C@H](N)c1ccc(N2CCOC[C@H]2CO)c(Br)c1 168233992 JVYGDFZGEYKCRD-GXSJLCMTSA-N 315.211 1.666 10 10 DDCE O=C(CCNCc1cc(Cl)ccc1O)NC1=NCCS1 1857876353 WFVGQHVEEHHKHP-UHFFFAOYSA-N 313.810 1.744 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(O)c(O)c2)C1 1982313386 JAUZVNGLTBAYCM-NSHDSACASA-N 322.361 1.837 10 10 DDCE O=[S@@]1CC[C@@]2(CCCN2c2c(F)cc(CO)cc2F)C1 2158461295 CLQGKPUZLGZNTD-VBKZILBWSA-N 301.358 1.949 10 10 DDCE O=S(=O)(Nc1ccc(O)c(F)c1)c1ccc(CO)s1 2101563862 APEDDSMFDQNQLE-UHFFFAOYSA-N 303.336 1.886 10 10 DDCE Cc1ccc(CNCCNS(=O)(=O)C(F)(F)F)c(O)c1 2204633117 FGIBKJTUCSGVNP-UHFFFAOYSA-N 312.313 1.229 10 10 DDCE NCc1ccc(N2C[C@@H]3C[C@H](C2)[C@@H]3O)c(F)c1Br 2258328271 DGOQGCZZCFQSQO-WOFXILAISA-N 315.186 1.864 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H]3C[C@H]2[C@@H]3C(=O)O)s1 2284544678 RPGCPSJZOOUSSO-BWVDBABLSA-N 313.404 1.480 10 10 DDCE COC(=O)C=CC(=O)N1CCN(c2ccc(OC)cc2)CC1 2297465945 VKDHYAHLBZVBFB-UHFFFAOYSA-N 304.346 1.073 10 10 DDCE C[C@@H](O)CCNC(=O)NCc1ccc(N2CCOCC2)cc1 114825517 HZFRPIUSUVZYJU-CYBMUJFWSA-N 307.394 1.093 10 10 DDCE CCCC(=O)NCC(=O)NCc1ccc2c(c1)CCCN2C 60456433 JKOUSVUJRHGBGZ-UHFFFAOYSA-N 303.406 1.602 10 10 DDCE CC(=O)N1CC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 175972677 NPTUMMKQDCUGRT-INIZCTEOSA-N 315.417 1.771 10 10 DDCE COC(=O)/C=C/c1ccc(N2CCC[C@@H](O)C2)c([N+](=O)[O-])c1 29067481 HRXWCLVXCWRQIQ-HOSRBBHYSA-N 306.318 1.742 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1O 173394972 DFJXYEJDHWRGAL-SNVBAGLBSA-N 316.379 1.555 10 10 DDCE COc1ccc(N2CCN(Cc3cncnc3)CC2)cc1F 180549854 OCYZXAXEZAKYHK-UHFFFAOYSA-N 302.353 1.947 10 10 DDCE Oc1cccc(-c2nn3c([C@H]4CCOC4)nnc3s2)c1O 134195591 QHARAIIIDYUNBO-ZETCQYMHSA-N 304.331 1.768 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3CCCC[C@@H]3N)CC2)cc1 321029089 UNZNQOBQSNXHNY-IRXDYDNUSA-N 317.433 1.861 10 10 DDCE NC(=O)CCN(Cc1ccccc1)C(=O)Cc1ccc(N)cc1 237868002 MLFRDWDBQGVDCJ-UHFFFAOYSA-N 311.385 1.716 10 10 DDCE CC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCC1 267831816 IWZJJOARQKKQQI-UHFFFAOYSA-N 312.391 1.684 10 10 DDCE CN1CCCc2cc(CNC(=O)NCCc3cn[nH]c3)ccc21 290890610 FTVLILPQDLQNPG-UHFFFAOYSA-N 313.405 1.834 10 10 DDCE COc1ccc(N2CCN(Cc3ccnc(OC)n3)CC2)cc1 294624224 YXZBEXUWQMNLOV-UHFFFAOYSA-N 314.389 1.816 10 10 DDCE CCN(Cc1ccc(N)cc1)S(=O)(=O)CC[C@H](C)OC 2165533312 RGWOUJXMQQITJU-LBPRGKRZSA-N 300.424 1.846 10 10 DDCE CC[C@@H](NC[C@@]1(CO)COCCN1C)c1ccc(N(C)C)cc1 903282396 SUJPAODCHXWKGQ-QZTJIDSGSA-N 321.465 1.486 10 10 DDCE C[C@@H](NC[C@@]1(CO)COCCN1C)c1cc(F)cc(F)c1O 903280279 MJIPTACHCORTNQ-MEBBXXQBSA-N 316.348 1.014 10 10 DDCE C[C@@H]1C[C@@H](NC[C@]2(CO)COCCN2C)c2c(O)ccc(F)c21 903280859 NZCSRVHEQKJEDW-NDGTYSDOSA-N 324.396 1.362 10 10 DDCE COc1ccc(N2CCN(C[C@@H]3CNC[C@H]3C)CC2)c(OC)c1 903476261 SMKLQZUIODNCAS-CABCVRRESA-N 319.449 1.681 10 10 DDCE O=C(O)CN(Cc1ccccc1O)C(=O)COCC(F)(F)F 911485321 XHKVBPOMDMEMTN-UHFFFAOYSA-N 321.251 1.384 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2C[C@@H]3C[C@H]2C[S@@]3=O)c1O 844430689 CUMIOFYXTFFLQJ-PVUDRZGPSA-N 313.806 1.953 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CCC[C@H]2NCC[C@@H]21 923415696 IXWXYXWNLLJHAH-MSOLQXFVSA-N 301.434 1.850 10 10 DDCE COc1ccc(N2CC[C@H](Nc3nccc(CO)n3)C2)cc1 853758565 HHEDALYDFULGNO-LBPRGKRZSA-N 300.362 1.668 10 10 DDCE CC(C)O[C@@]1(CNCc2cc([N+](=O)[O-])ccc2O)CCOC1 922612220 ZOPNSRNPBPRVDW-OAHLLOKOSA-N 310.350 1.974 10 10 DDCE COC(=O)C1=CC[C@@H](NC(=O)NCc2ccc(OC)cc2O)C1 858734995 RLKRDEYZGLHRCC-GFCCVEGCSA-N 320.345 1.462 10 10 DDCE CCN1CCN(Cc2ccc(N3CCOCC3)cc2)CC1=O 758014628 GWQGFPYPLPIZLH-UHFFFAOYSA-N 303.406 1.187 10 10 DDCE C[C@]12CCC(=O)N1[C@H](C(=O)N1Cc3cccc(O)c3C1)CS2 871198586 JXXNCBGUPSHMBA-LRDDRELGSA-N 318.398 1.688 10 10 DDCE CCN(CC1CC1)S(=O)(=O)Nc1ccc(O)cc1C(=O)O 776433681 YPTLWHQPSWKYHN-UHFFFAOYSA-N 314.363 1.479 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)NCCCn1ccnn1 784515007 WDHXYWXKUCMNGW-UHFFFAOYSA-N 316.409 1.542 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@](O)(C(F)(F)F)C1 1138210764 QJKQOZWGXNOMRT-LBPRGKRZSA-N 305.252 1.166 10 10 DDCE CCn1cncc1S(=O)(=O)NCc1ccc(OC)cc1O 795359037 ZVCCSOZVYAJRJR-UHFFFAOYSA-N 311.363 1.096 10 10 DDCE O=C(CNC(=O)C1CCCCC1)NCc1cc(O)ccc1O 1176748286 NEEXGFCPCPSLNS-UHFFFAOYSA-N 306.362 1.411 10 10 DDCE COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(F)c(N(C)C)cc1F 1329051678 FPIOJEHWXKRSDP-YGRLFVJLSA-N 314.332 1.139 10 10 DDCE O=C(NCCOCCCO)c1cc2cc(O)c(O)cc2s1 1332124115 LVBFFUVMDQVCOI-UHFFFAOYSA-N 311.359 1.441 10 10 DDCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)c2cnon2)cc1C 1275517590 XVMDJPMCYRYJCV-NEPJUHHUSA-N 318.377 1.683 10 10 DDCE O=C(O)c1ccc(O)c(NC(=O)c2cc(O)c(O)c(O)c2)c1 224845076 VUFWERFNOZQAJR-UHFFFAOYSA-N 305.242 1.460 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)c1ccc(F)cc1F 1641110527 IAABCKOISGPMDJ-ZDUSSCGKSA-N 323.295 1.768 10 10 DDCE CS(=O)(=O)N1CCC[C@H](CN2CC[C@@H](CN=[N+]=[N-])C2)C1 1912167691 NUGXSABKVQRSFQ-NWDGAFQWSA-N 301.416 1.290 10 10 DDCE CS(=O)(=O)c1ccc(C(=O)NCc2ccccc2O)c(N)c1 1595800289 RYZSMQRTIOWPKY-UHFFFAOYSA-N 320.370 1.308 10 10 DDCE CNC(=O)[C@H]1CN(Cc2ccc3c(c2)CCCN3C)CCO1 19745272 YJRJVNXLOCQTOU-MRXNPFEDSA-N 303.406 1.016 10 10 DDCE CCc1nnc(CN2CCOc3cc(N(C)C)ccc32)n1C 163187257 NZGSPHJKRLUDNS-UHFFFAOYSA-N 301.394 1.843 10 10 DDCE O=C(Cn1c(=O)[nH]c2ccccc21)NCc1ccc(O)c(O)c1 159078154 KNEFLSAHKKTCRH-UHFFFAOYSA-N 313.313 1.057 10 10 DDCE N[C@@H]1CC(C(=O)N2CCc3c(Br)cccc32)=C[C@@H]1O 2131469301 LDZFEFLGKIYZHL-YPMHNXCESA-N 323.190 1.357 10 10 DDCE N[C@@H]1C[C@@H](O)CN(Cc2cc(Br)ccc2O)C1 1971880548 MHDCKCPRUCJKEK-GHMZBOCLSA-N 301.184 1.049 10 10 DDCE COc1cccc(CN(C)[C@H](C)CCS(C)(=O)=O)c1O 2160751839 WWYVAKILYGDEFG-LLVKDONJSA-N 301.408 1.656 10 10 DDCE O=c1nc(CCNCc2c(O)cccc2Br)[nH]o1 706808730 YUCZGMKLLLRSFJ-UHFFFAOYSA-N 314.139 1.163 10 10 DDCE CNC(=O)[C@H](C)NCc1cc(Br)cc(F)c1O 715759369 MOXJHUMUIKBTOG-LURJTMIESA-N 305.147 1.518 10 10 DDCE CO[C@@H]1C[C@H](c2ncc[nH]2)N(C(=O)Cc2ccc(O)c(O)c2)C1 2064878731 ZCSOUHCHRRUONV-VXGBXAGGSA-N 317.345 1.352 10 10 DDCE COCn1nccc1S(=O)(=O)Nc1ccc(O)cc1F 2174004132 ZFWVYHGDKAUNKD-UHFFFAOYSA-N 301.299 1.133 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccnn1[C@H]1CCOC1 1179341669 FNGBRDJLBWQWNU-NSHDSACASA-N 303.318 1.437 10 10 DDCE C[C@]1(CNCc2cc(Br)cc(F)c2O)CC(=O)N1 2085316863 WQVQZYPTKICGSN-GFCCVEGCSA-N 317.158 1.662 10 10 DDCE COc1ccc(Br)c(CN[C@H]2C[C@@H]2CO)c1O 2214882709 KQMNDASKBWGPLH-XCBNKYQSSA-N 302.168 1.634 10 10 DDCE N[C@H]1CCc2cc(N3CC(S(=O)(=O)C(F)F)C3)ccc21 2206703220 PACRDNSNCAJSQN-LBPRGKRZSA-N 302.346 1.459 10 10 DDCE CC1CC(NCc2c(O)cccc2Br)(C(N)=O)C1 2223866060 NBBXGOIHOBDRHW-UHFFFAOYSA-N 313.195 1.898 10 10 DDCE COCCCNC(=O)[C@H](C)NCc1cnc(SC)s1 2269093267 MXKACIXBVPULKV-VIFPVBQESA-N 303.453 1.496 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccnc(C)c2)c1 492608387 AKCGXXQEPVZOOU-PLNGDYQASA-N 310.357 1.821 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)Nc1n[nH]c(C(F)(F)F)n1 2307996834 YLHPAHZFUOQXCY-UHFFFAOYSA-N 314.223 1.887 10 10 DDCE Cn1nc(Br)nc1[C@@H](O)[C@@H](N)c1ccccc1O 2328446144 XMIWNOHIDPROFC-IUCAKERBSA-N 313.155 1.017 10 10 DDCE COc1ccc(CN(C)CC2CCN(C[C@H](C)O)CC2)c(O)c1 179517842 NMUGPSZDBLMHNY-AWEZNQCLSA-N 322.449 1.925 10 10 DDCE CC[C@H]1CN(C(=O)c2cccc(O)c2O)CCN1C[C@H](C)O 248734746 KKGGDLIBISGYMY-RYUDHWBXSA-N 308.378 1.015 10 10 DDCE CC(=O)C(=O)COC(=O)c1nn(-c2ccc(F)cc2C)cc1O 808547861 VUOCRAFMYNGKFZ-UHFFFAOYSA-N 320.276 1.340 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 808545011 MOWYZROMHSKAGO-SECBINFHSA-N 313.350 1.191 10 10 DDCE CC(C)(C)N1C[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)CC1=O 588406835 UVLTXIWWVAUNHA-SMYYYNMVSA-N 318.373 1.627 10 10 DDCE C/C=C/[C@H](O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 901175417 LCMHYSJUVNAZSY-UBZOXOCWSA-N 305.374 1.837 10 10 DDCE CN(C)[C@H]1C[C@@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)C1 846785511 GQVYWYDTRXXWAH-XBXGTLAGSA-N 317.389 1.497 10 10 DDCE Cc1ccc(C(=O)N2CCO[C@@]3(CCSC3)C2)c(O)c1O 843945469 HKHHCELBCRLRIC-HNNXBMFYSA-N 309.387 1.754 10 10 DDCE COc1cccc([C@@H](C)NC[C@H]2CCCCN2CCO)c1O 846170481 OEZJWUNFJANIMH-ZIAGYGMSSA-N 308.422 1.898 10 10 DDCE COc1cc(O)c(CN2CCNC[C@H]2C(F)F)cc1OC 843125171 YYOBMKINJKMIGL-JTQLQIEISA-N 302.321 1.448 10 10 DDCE CN(C)c1ccc(CN(C[C@H](O)C2(O)CCC2)C2CC2)cc1 929297973 YYJTUYHFNAVZOV-KRWDZBQOSA-N 304.434 1.993 10 10 DDCE COc1cc(N2CCc3nccnc3C2)c([N+](=O)[O-])cc1OC 853963819 BEQJEPWFJCJEDL-UHFFFAOYSA-N 316.317 1.965 10 10 DDCE COc1ccc(N(C)CCN(C)C[C@H]2CCC3(CNC3)O2)cc1 852753820 SRKYLRJYHABNLB-QGZVFWFLSA-N 319.449 1.584 10 10 DDCE CC(=O)c1cc(Cl)cc(CN(C)[C@H]2C[C@@H](C(N)=O)C2)c1O 859958344 DBHMLPGUVFJFTA-WVSHTKLVSA-N 310.781 1.944 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cc3ncc[nH]3)C2)cc1 855227028 STPUXHKYHAGLRN-GFCCVEGCSA-N 300.362 1.356 10 10 DDCE COc1ccc(O)c([C@H](C)NCC(=O)Nc2cccnn2)c1 930216311 DKBIMGHWBQPZLA-JTQLQIEISA-N 302.334 1.480 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cncc(O)c1 935945561 CBUFLQPEFGFEKI-UHFFFAOYSA-N 307.346 1.837 10 10 DDCE CN(C)c1ccc(/C=C\CN[C@H](Cc2cnc[nH]2)C(=O)O)cc1 1119613938 RSGLQFJWFFDVCM-MJSXRHKHSA-N 314.389 1.774 10 10 DDCE CS(=O)(=O)c1nccn1Cc1ccc(N2CCOCC2)cc1 877889995 SYLZEXGYKQSAKI-UHFFFAOYSA-N 321.402 1.172 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@@H](O)CC(F)(F)C2)c1O 787363956 QBCAWBKWEVYWDK-NSHDSACASA-N 303.280 1.936 10 10 DDCE C[C@H](NC(=O)C1CC(=O)C1)c1ccc(N2CCOCC2)cc1 1136442934 JSNAPDHUGGQYLH-LBPRGKRZSA-N 302.374 1.680 10 10 DDCE Cc1cc(C)c(CNC(=O)c2c(F)ccc(O)c2O)c(O)n1 789947502 XIIGKMHVHFKKOH-UHFFFAOYSA-N 306.293 1.884 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCC[C@H]2CCOC2=O)cc1 1154166483 JPBGIFIUXQKZHY-NSHDSACASA-N 318.333 1.922 10 10 DDCE CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(O)c1O 1176565789 OVBSTDOQNSHUIH-UHFFFAOYSA-N 317.301 1.978 10 10 DDCE C[C@H](NCc1cc(Cl)cc(Br)c1O)[C@@H](O)CO 708178459 PWVMVXSOTBFSLE-WKEGUHRASA-N 324.602 1.639 10 10 DDCE CN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@@H]1CCSC1 1329340010 MYHOVEDKZRYGNY-LLVKDONJSA-N 306.387 1.198 10 10 DDCE CCNCc1ccc(N2CCSC[C@@H]2S(C)(=O)=O)cc1 90923173 JDENVDWJXFCDSL-AWEZNQCLSA-N 314.476 1.720 10 10 DDCE CCOc1ccc(N2CCN(C[C@H](O)C3(O)CCC3)CC2)cc1 1333870885 GZSLBKNHFPLGLT-KRWDZBQOSA-N 320.433 1.483 10 10 DDCE C/C(=C\c1cccnc1)C(=O)N1CCCc2ccc(C(N)=O)nc21 1278522633 BFIKQAOSSQVZBO-ZRDIBKRKSA-N 322.368 1.958 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCN1CC[C@H](F)C1 1638347911 MVBIZQFANCHRMF-AAEUAGOBSA-N 310.369 1.579 10 10 DDCE Cc1ccn(CC(=O)NCc2cccc(Cl)c2O)c(=O)c1 1647830104 IRABDOUEWKNOHB-UHFFFAOYSA-N 306.749 1.832 10 10 DDCE CN1CCOc2ccc(C(=O)NCc3c(O)cccc3O)cc21 1647289408 CGLNBXVAIZQTHX-UHFFFAOYSA-N 314.341 1.856 10 10 DDCE Cn1nnc2c(C(=O)NCc3cccc(Cl)c3O)ccnc21 1647830518 ZVYCJOGJUUSCTH-UHFFFAOYSA-N 317.736 1.652 10 10 DDCE CCCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CC[C@H](CN=[N+]=[N-])C1 1912203645 FQVMWYYFOUPJDX-GRYCIOLGSA-N 302.400 1.211 10 10 DDCE C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1c(O)cccc1O)CS2 1652622616 BHYRBBRNKLKSLV-BMIGLBTASA-N 322.386 1.168 10 10 DDCE Oc1ccc2c(c1)OC[C@](O)(Cc1ccc(O)c(O)c1)[C@H]2O 13481874 MPGFEHZDABUJFR-JKSUJKDBSA-N 304.298 1.203 10 10 DDCE biogenic,in-vitro CC1=NN(C(N)=S)C(=O)[C@H]1N=Nc1ccc([N+](=O)[O-])cc1 253916622 VXFLTQWWAQTHRZ-VIFPVBQESA-N 306.307 1.509 10 10 DDCE CON1CCN(c2ccc(CN)c(Br)c2)CC1 1915792339 CTPCVVVWMYOWAZ-UHFFFAOYSA-N 300.200 1.591 10 10 DDCE C[C@@H](CS(=O)(=O)N(C)C)N[C@@H](C)c1ccc(F)cc1O 1967464479 CSCUNNGLFCWPMU-UWVGGRQHSA-N 304.387 1.462 10 10 DDCE CN1C(C)(C)[C@@H](NCc2cc(F)ccc2O)CS1(=O)=O 1967825253 PAFVXEATPCXVAE-LBPRGKRZSA-N 302.371 1.043 10 10 DDCE O=S1(=O)CC[C@H]2CN(c3c(F)cc(CO)cc3F)C[C@H]21 2145049332 LZEINFYTDGANFY-JOYOIKCWSA-N 303.330 1.080 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980372058 YJMHPXVFNGGEIG-FDYHWXHSSA-N 324.421 1.803 10 10 DDCE O=S(=O)(Nc1ccc(O)c(C(F)(F)F)c1)[C@@H]1CCNC1 2152904052 HGWGELKJSMQFAS-MRVPVSSYSA-N 310.297 1.515 10 10 DDCE CNCc1ccc(N2CCC(S(C)(=O)=O)CC2)c(F)c1 313049440 SGWVRIKZZXOUDJ-UHFFFAOYSA-N 300.399 1.559 10 10 DDCE CN1CCO[C@@H](CNCc2c(O)cccc2Br)C1 706807802 GLHNGAQEEVHTIR-JTQLQIEISA-N 315.211 1.575 10 10 DDCE CN(c1ccc(CN)cc1Br)[C@@H]1COC[C@H]1O 709372939 JFBITLVWUANMJZ-VXGBXAGGSA-N 301.184 1.104 10 10 DDCE Cn1ncc(Br)c1CNCc1cccc(O)c1O 693487943 QGBNVYBDFAEMLM-UHFFFAOYSA-N 312.167 1.884 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)[C@H]3CC[C@H](O)CC3)c2n1 2064949216 KUOCRPCNZWRDKX-XYPYZODXSA-N 304.350 1.119 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)c1ccc([C@@H](C)N)c(O)c1 2170559348 DZFWIUZSBIRFDE-GHMZBOCLSA-N 300.424 1.671 10 10 DDCE COc1cc(Cl)cc(CN[C@@H](C)[C@H](C)S(C)(=O)=O)c1O 2170600573 MQZPEXJUPAOGNB-IUCAKERBSA-N 321.826 1.965 10 10 DDCE CCC1(CC)CNC(=O)[C@H]1NC(=O)Cc1ccc(O)c(O)c1 1156932983 RJUKLFULKXUWRO-CQSZACIVSA-N 306.362 1.061 10 10 DDCE CC(C)OC(=O)NS(=O)(=O)N[C@@H](C)c1ccccc1O 2192622918 CPFDTIXXMAIMKG-VIFPVBQESA-N 302.352 1.422 10 10 DDCE CO[C@@H]1CN(c2ccc(CO)cc2Cl)[C@H](CO)[C@H]1OC 2233353155 LCVVGFVKAQHZHL-MGPQQGTHSA-N 301.770 1.043 10 10 DDCE CSc1ncc(CNC(=O)NC[C@H](C)[C@@H](F)C(=O)O)s1 2284542962 CDCTUXJWQYWXMQ-POYBYMJQSA-N 321.399 1.723 10 10 DDCE O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)C1=CNC1CC1 2296926959 GBJJYLKYLRCDSW-UHFFFAOYSA-N 317.320 1.083 10 10 DDCE CC(C)C[C@@H]1C(=O)NCCN1C(=O)C=Cc1ccc(O)c(O)c1 2310794404 IDTFTRZPAXBHEI-CYBMUJFWSA-N 318.373 1.484 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 2312539484 YYJFDAUACXBFHF-ZFDIKFDDSA-N 301.342 1.339 10 10 DDCE CCOC(=O)c1cc2c(N)c(C(=O)OCC)sc2nc1N 59370697 ZHJMXCWGQUWUON-UHFFFAOYSA-N 309.347 1.814 10 10 DDCE COc1cccc(C(=O)NCCN2C(=O)CSC2=S)c1 49755544 NNUBOOUVRWNFDJ-UHFFFAOYSA-N 310.400 1.285 10 10 DDCE CNCc1ccc(N2CCN(C)C(=O)C2)c(Br)c1 234446992 HSQCZQXBLLCLDP-UHFFFAOYSA-N 312.211 1.447 10 10 DDCE CCN1C(=O)/C(=C\N[C@@H]2CCC[C@H](C)[C@H]2C)C(=O)N=C1S 254513046 XBVBDIQWIYUKSX-OYXJWMJYSA-N 309.435 1.959 10 10 DDCE CS(=O)(=O)C1(C(=O)N2CCC(CN=[N+]=[N-])CC2)CCC1 2166700859 BNHMWENLPGPQJY-UHFFFAOYSA-N 300.384 1.503 10 10 DDCE CS(=O)(=O)N[C@H]1CCN(Cc2ccc3ccccc3c2O)C1 816514436 YCMHFFLKHPAPHX-AWEZNQCLSA-N 320.414 1.669 10 10 DDCE CCc1ncnc(CC)c1C(=O)NCCc1ccc(O)c(O)c1 815834023 OYBPKDATBDJXJO-UHFFFAOYSA-N 315.373 1.985 10 10 DDCE COc1cccc(CNC(=O)N[C@@H](C)c2nccn2C)c1O 823800047 ZDXQEYJCVYGNEZ-JTQLQIEISA-N 304.350 1.695 10 10 DDCE C[C@@H](NC(=O)CCc1cn(C)nn1)c1ccc(N(C)C)cc1 832430463 FAZFFCXFKREEFO-GFCCVEGCSA-N 301.394 1.691 10 10 DDCE CC[C@H](O)[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 912293507 YRVOUVSNIKKXOM-WWGRRREGSA-N 306.406 1.797 10 10 DDCE CCS(=O)(=O)C1CN(C/C=C\c2ccc(N(C)C)cc2)C1 841885869 GFJJXWJXXXNOIB-WAYWQWQTSA-N 308.447 1.885 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)/C=C\c3ccncn3)C2)cc1 855223572 AEWIASCKASLRRN-SJXOGVDTSA-N 324.384 1.894 10 10 DDCE CCOc1ccc(N(CC)CC2CN(S(C)(=O)=O)C2)cc1 929913877 SXHKOTBWGWIDBE-UHFFFAOYSA-N 312.435 1.803 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCc3cocn3)C2)cc1 852078622 SCVUUNXPLLTGDG-LBPRGKRZSA-N 316.361 1.761 10 10 DDCE CCOCCN(C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854299346 OMEQYGGEIXOQGJ-AWEZNQCLSA-N 321.421 1.952 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)Cn2cncc2C)cc1 862129455 POTCFRAMJDCJFB-UHFFFAOYSA-N 316.405 1.795 10 10 DDCE O[C@H](CNc1ccccc1OCCF)CC1(O)CCOCC1 872213649 VTFYIAKBIHLPOT-ZDUSSCGKSA-N 313.369 1.739 10 10 DDCE CO[C@@H]1CC[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 1116996734 VCISOQVZOXUGSN-DZGCQCFKSA-N 319.405 1.053 10 10 DDCE O=C(NCc1cccc(O)c1O)[C@H]1CCCN(C2CC2)C1=O 1123888384 IGFZLLDSVXKLTH-GFCCVEGCSA-N 304.346 1.115 10 10 DDCE Oc1cc2c(cc1CN1CC[C@]3(CCCOC3)C1)[C@H](O)CO2 789543853 CNNKMLHPOXRODV-NVXWUHKLSA-N 305.374 1.821 10 10 DDCE CN(C)c1ccc(CN[C@@H]2C(=O)NCC23CCOCC3)cc1 895772499 FYLXQZWJTLSLNT-OAHLLOKOSA-N 303.406 1.137 10 10 DDCE O=C(NCCc1nc[nH]n1)c1cc2cc(O)c(O)cc2s1 1159160449 MYQFAAIMNAOGEV-UHFFFAOYSA-N 304.331 1.403 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC[C@H]2C[C@@H]21 1327652900 QBYZAHWLTHEQBU-YDHLFZDLSA-N 316.401 1.903 10 10 DDCE [N-]=[N+]=NCCCCNC(=O)CS[C@@H]1CCS(=O)(=O)C1 706390124 UQGDBLXAWFIEJR-SECBINFHSA-N 306.413 1.113 10 10 DDCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@]1(CO)COCCN1C 1339192745 GWKBZXZZIAINNZ-LBTNJELSSA-N 320.433 1.532 10 10 DDCE COC(=O)c1cc(OCCOC(=O)N(C)C)ccc1N(C)C 1332261515 LNOAKVNBCAIREF-UHFFFAOYSA-N 310.350 1.616 10 10 DDCE CCN(C)c1ccc(CN2CCN3CCOC[C@]3(CO)C2)cc1 1198164631 LFKQCEAEEHCRCK-GOSISDBHSA-N 319.449 1.022 10 10 DDCE CC(=O)NC[C@H](CC(=O)NCc1cccc(O)c1O)CC(C)C 1347235881 ZLEULRFEYGYGQA-ZDUSSCGKSA-N 322.405 1.903 10 10 DDCE CN(C)C(=O)c1cccc(C(=O)NCc2ccc(O)cc2O)c1 1451773473 XYYPVIHBLYWJTN-UHFFFAOYSA-N 314.341 1.730 10 10 DDCE O=C1N=C(N2CCOCC2)S/C1=C/c1ccc2c(c1)OCO2 116914 DERHOHWGFSIAAT-MDWZMJQESA-N 318.354 1.718 10 10 DDCE COc1nscc1S(=O)(=O)NCC1(CN=[N+]=[N-])CC1 2117724586 MFCFBAPDTZYOAU-UHFFFAOYSA-N 303.369 1.521 10 10 DDCE COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1cccc(O)c1O 1466047598 QYALEJXCOAMLOR-LLVKDONJSA-N 311.334 1.136 10 10 DDCE NC(=O)c1ccc(CNC(=O)Cc2ccc(O)c(O)c2)cc1 1540347250 JOVBHPWTLZGQFV-UHFFFAOYSA-N 300.314 1.056 10 10 DDCE CN(CC(=O)NCc1cc(O)ccc1O)C(=O)c1cccs1 1637122646 LNOOIPHZRQSIBY-UHFFFAOYSA-N 320.370 1.548 10 10 DDCE O=C(NCc1ccccc1O)c1ccn(CCn2cccn2)n1 1636057911 MQAMDKSYEFLSSE-UHFFFAOYSA-N 311.345 1.415 10 10 DDCE COc1ccc(CNCCN(C)C(=O)C2CC(OC)C2)cc1C 1691355659 LKTICCSNJVVZPT-UHFFFAOYSA-N 320.433 1.977 10 10 DDCE COCCN(CCO)c1c(F)cc(CNC(C)C)cc1F 164419986 PSNYNEDHRIAHNQ-UHFFFAOYSA-N 302.365 1.908 10 10 DDCE CC[C@@H](NC[C@@H](O)C(N)=O)c1cc(Br)ccc1O 228607360 LYNROPSYSKXNCE-MWLCHTKSSA-N 317.183 1.042 10 10 DDCE CC[C@@H](NCCS(=O)(=O)CCOC)c1ccccc1O 1969537949 HUBIDXALCYJVSS-CYBMUJFWSA-N 301.408 1.494 10 10 DDCE C[C@@H](N)c1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c(F)c1 2148778707 RSJRKAPEPUWDAE-MNOVXSKESA-N 300.399 1.716 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)C(=O)C[C@H]3C[C@H](N)C3)[C@H]2C1 1980369462 LQOXOQOUNQHFEE-BJDJZHNGSA-N 322.405 1.365 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)c1ccc(O)c(O)c1 1982310439 VIOFVEQWNCXIBH-LLVKDONJSA-N 322.361 1.837 10 10 DDCE C[C@@H](O)c1cc(F)c(N2CCS(=O)(=O)[C@H](C)C2)c(F)c1 2194511479 NCLJIIXPPYZNNI-RKDXNWHRSA-N 305.346 1.641 10 10 DDCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(Br)c1 2043181672 JNXYGCFVNVFOAP-INTQDDNPSA-N 316.195 1.434 10 10 DDCE N[C@@H]1CC(CN2CCc3cccc(Br)c32)=C[C@H]1O 2067768684 KORNBHKNQAQLMV-CHWSQXEVSA-N 309.207 1.830 10 10 DDCE NCc1cc(F)c(N2CC[C@]3(C[C@H](O)CO3)C2)cc1Cl 2201773882 RZIQTDHDMKBHFV-HZMBPMFUSA-N 300.761 1.668 10 10 DDCE Nc1ccc(OC[C@@H](O)Cn2ccnc2Br)cc1 2220478745 CRNUFWYUFNYJOF-JTQLQIEISA-N 312.167 1.668 10 10 DDCE CN1CC2(CCN2c2cc(Br)c(CN)cc2F)C1 2222697180 LERWQEGMXGWSSC-UHFFFAOYSA-N 314.202 1.941 10 10 DDCE COc1ccc(N2CCSC[C@@H]2S(C)(=O)=O)c(C=O)c1 2235996415 DDRYKHZFIXYHBC-ZDUSSCGKSA-N 315.416 1.432 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CC(F)(F)[C@H]2C(=O)O)s1 2284535961 GMSYTZSNSUYREQ-NKWVEPMBSA-N 322.358 1.837 10 10 DDCE CCn1cc(C=C2SC(N3CCOCC3)=NC2=O)c(C)n1 2297576267 AOEYJQOOHFPZSX-UHFFFAOYSA-N 306.391 1.514 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)C[C@H]3CO[C@H]2C3)s1 2350663501 LNNJTACEGWBVLC-DXBFQKDVSA-N 300.405 1.587 10 10 DDCE CC[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H](C)O1 301694145 OYDKTMDQLFXFTR-NXEZZACHSA-N 321.333 1.929 10 10 DDCE O=C(c1cc(O)nc(O)c1)N1CCN(Cc2ccccc2)CC1 170223216 NWSUIUHIEXGNMD-UHFFFAOYSA-N 313.357 1.451 10 10 DDCE COC(=O)[C@@H](NC(=O)c1cc(O)c(O)c(O)c1)c1ccccc1 170190524 UNPQWFPZEQGKAS-ZDUSSCGKSA-N 317.297 1.448 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)CCOCCF 2365578878 ACDRPKUMPVLJQW-NSHDSACASA-N 305.371 1.701 10 10 DDCE Oc1c(I)cccc1[C@@H]1CNCCN1 95783587 IRLAZTBKUAZVBR-VIFPVBQESA-N 304.131 1.231 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)NCCCN1CCOCC1 96785277 TXBFEKRAHJVSCD-CYBMUJFWSA-N 322.405 1.115 10 10 DDCE COc1ccc(N2CCN(c3nc(C(N)=O)cs3)CC2)cc1 292645360 ZHEAIUHYWUDSHG-UHFFFAOYSA-N 318.402 1.577 10 10 DDCE CCN1CC[C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1=O 801764594 ZSQFIUMVIAUBKI-DOMZBBRYSA-N 318.421 1.734 10 10 DDCE COCCOCC(=O)NCc1cc(Br)ccc1O 804738613 WYAXEYHOEANPAI-UHFFFAOYSA-N 318.167 1.434 10 10 DDCE COC(=O)[C@@H]1[C@H]2CN(Cc3cc(Cl)cc(OC)c3O)C[C@H]21 814173235 IFGRSFKKENXJHX-PJXYFTJBSA-N 311.765 1.905 10 10 DDCE Cc1cccc(CNCCS(=O)(=O)CC(F)(F)F)c1O 827047738 IBOBULKKHYTVEH-UHFFFAOYSA-N 311.325 1.767 10 10 DDCE C[C@@H]1CCNC[C@@H]1NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 902516122 BPJHFYGBDXBMIQ-JLSDUUJJSA-N 304.482 1.943 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H]1Cn1ccnc1 588406916 PAJFTUADKYTZEX-SDQPKGBYSA-N 313.357 1.999 10 10 DDCE Cc1cc(O)c(CN[C@@H]2CCN(C3CCOCC3)C2=O)cc1C 747622565 QLWIDVQLDQOXHR-MRXNPFEDSA-N 318.417 1.879 10 10 DDCE CCOc1ccc(O)c(CN2C[C@@H](O)C[C@@H](C(=O)OC)C2)c1 843433771 COKIDVYKNNDNNI-OLZOCXBDSA-N 309.362 1.147 10 10 DDCE Cc1cc(Br)cc(CN(CCN)CCO)c1O 841058023 FFQMRBDVKWVJPB-UHFFFAOYSA-N 303.200 1.216 10 10 DDCE COc1ccc(CNC(=O)N[C@H](CN)C(F)(F)F)c(O)c1 848598956 VKXAYULUORYHNB-SNVBAGLBSA-N 307.272 1.090 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@@H](CN)C(F)(F)F)c1O 848714399 OVDFRDITMZVITG-QMMMGPOBSA-N 309.244 1.288 10 10 DDCE C[C@H](NC(=O)NCc1c(O)cccc1F)[C@H]1CN(C)CCO1 921557028 SQSZJOJLEFXKIM-IINYFYTJSA-N 311.357 1.050 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@](C)(O)C(C)C)C2)cc1 855228233 YBPNSNFCSOXHBX-CXAGYDPISA-N 306.406 1.797 10 10 DDCE CC[C@H](COC)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852133583 HCPVIYWMVDDFSX-KGLIPLIRSA-N 321.421 1.998 10 10 DDCE CCC(=O)N1CSC[C@@H]1C(=O)NCc1cc(C)ccc1O 862759300 BDNQGZNZBYMRMG-GFCCVEGCSA-N 308.403 1.628 10 10 DDCE COC(=O)c1cc(OCC[C@@H]2CCNC2=O)ccc1N(C)C 865395065 HUYJWMCEIWKEQD-NSHDSACASA-N 306.362 1.444 10 10 DDCE Cc1cc(C)c2c(N)c(C(=O)O[C@H]3CCNC3=O)sc2n1 769974119 SIJNPMSZMFBYFA-QMMMGPOBSA-N 305.359 1.541 10 10 DDCE CCN1CC(=O)N(C2CCN(c3ccc(OC)cc3)CC2)C1=O 777633581 CEMIRQCQQFRLRW-UHFFFAOYSA-N 317.389 1.948 10 10 DDCE Cc1cc(Br)c(O)c(CN(C)[C@@H]2CCNC2=O)c1 781912833 WBLPSIGHHBENFX-LLVKDONJSA-N 313.195 1.783 10 10 DDCE CSc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1C 790865310 HRVDAHVQCUIFSO-SECBINFHSA-N 321.402 1.914 10 10 DDCE COCCCN1C(=O)CC[C@@H](N)[C@H]1c1ccc(N(C)C)cc1 62213821 CQCFKAGOGADFGW-NVXWUHKLSA-N 305.422 1.780 10 10 DDCE C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)c1ccccc1 1160680450 ASEPVCCLCILYDI-DIFFPNOSSA-N 301.342 1.879 10 10 DDCE CS(=O)(=O)N[C@H]1CCCN(c2ccc(CN)c(Cl)c2)C1 702984729 NAHCSAVFPIEADT-NSHDSACASA-N 317.842 1.317 10 10 DDCE O=C(C(=O)N1Cc2cccc(O)c2C1)N1CCc2ccccc2C1 1330379495 NGBVYACSIMLULP-UHFFFAOYSA-N 322.364 1.819 10 10 DDCE C/C=C(\C)C(=O)NC[C@@H](C)NC(=O)c1cc(OC)nc(OC)c1 1354322193 MCQFMUUBQIGHDO-CDCCAWJDSA-N 321.377 1.300 10 10 DDCE COc1cc(C(=O)N[C@@H](C)CN(C)C(=O)C2CC2)cc(OC)n1 1287550407 MMMWYSCQNBTCBU-JTQLQIEISA-N 321.377 1.086 10 10 DDCE COCCN(Cc1cccnc1)C(=O)Cc1ccc(O)c(O)c1 1542820209 FAIHKZCAHKVOTK-UHFFFAOYSA-N 316.357 1.711 10 10 DDCE [N-]=[N+]=N[C@H]1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 1912191579 TUENWUCWDDAHTF-WDEREUQCSA-N 315.333 1.028 10 10 DDCE C[C@H](NC(=O)Cn1ncc(=O)c2ccccc21)c1ccccc1O 1587446904 BRCQEGTZVPVNRH-LBPRGKRZSA-N 323.352 1.980 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CCC(c2nc[nH]n2)CC1 1654738412 WNFUNISRDNVUKN-UHFFFAOYSA-N 306.297 1.375 10 10 DDCE Cc1nnc(N(C)Cc2ccccc2O)n1CC1(C)COC1 1751882804 ZSLMAHITEKCERX-UHFFFAOYSA-N 302.378 1.965 10 10 DDCE C[C@@H](O)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc[nH]2)SC1=S 1858595456 BNGIIMOYESAZRE-LUXZRLIYSA-N 312.372 1.050 10 10 DDCE COc1ccc(N2CCC(N[C@]3(CO)CCOC3)CC2)cc1 363868562 OGNQEEVKMXZZQT-KRWDZBQOSA-N 306.406 1.405 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1c(O)cccc1[N+](=O)[O-] 1952060770 SEJXEAPGGMYZDW-SNVBAGLBSA-N 312.278 1.951 10 10 DDCE C[C@@H](N)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1952196801 HPPYNRGKOOXUOP-KOLCDFICSA-N 324.377 1.450 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(c2ccc(O)cc2O)C[C@H]1C(=O)O 1952766142 WKMVUILCTPJPHH-BONVTDFDSA-N 309.318 1.922 10 10 DDCE C[C@H](N)c1ccc(N(C)CCS(=O)(=O)N(C)C)c(Cl)c1 2151044977 QABJRAJTDYOVTI-JTQLQIEISA-N 319.858 1.687 10 10 DDCE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N)cc1 1993274721 JIZDDNXOBGKIAB-ZWNOBZJWSA-N 323.393 1.159 10 10 DDCE CC1(F)CN(c2cc3c(cc2Br)[C@@H](N)C(=O)N3)C1 2032482459 ZQGZIBJXYUCAHB-SNVBAGLBSA-N 314.158 1.949 10 10 DDCE C[C@@H]1CN(c2ccc(CN)cc2Br)C[C@H](CO)O1 300420992 CEQNEEUZBVZYOH-MWLCHTKSSA-N 315.211 1.494 10 10 DDCE COCCNCc1ccc(N2CC(F)(CO)C2)cc1Cl 2172926879 SXXDARAZPUTSDE-UHFFFAOYSA-N 302.777 1.597 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3CO4)c(Br)cc21 387367611 RKEBZUMGUUJZOA-QRPMWFLTSA-N 324.178 1.379 10 10 DDCE CN(C[C@@H]1C[C@H]1F)S(=O)(=O)CCOc1ccc(N)cc1 2188329296 HYHFUIQFJRLWLG-GXFFZTMASA-N 302.371 1.267 10 10 DDCE Cn1nc(Br)c(CN2CCC[C@@H](N=[N+]=[N-])C2)n1 2214382329 FCTNUTMYKYVAEC-SSDOTTSWSA-N 300.164 1.852 10 10 DDCE CSc1ncc(CNCC[C@H]2CCS(=O)(=O)C2)s1 2208598620 PXZNSFQQKHVBJX-VIFPVBQESA-N 306.478 1.779 10 10 DDCE CCOC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cnc(SC)s1 2269093222 BNPBHCSUDDXSCS-DTWKUNHWSA-N 300.405 1.680 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)O)s1 2269094808 UVOOJFCHUXIVHD-IUCAKERBSA-N 300.405 1.982 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@@H]3O 2312539483 YYJFDAUACXBFHF-YTUFUYLDSA-N 301.342 1.339 10 10 DDCE CN(C)c1ncc(C=CC(=O)N(CCO)c2ccccc2)cn1 2324673242 QGAIXHSHQCQHEA-UHFFFAOYSA-N 312.373 1.581 10 10 DDCE CNCc1cnc(S[C@@H]2CC[C@@H](S(C)(=O)=O)C2)s1 2319432950 OIKGOABSRPYUHS-PSASIEDQSA-N 306.478 1.920 10 10 DDCE CC(C)(C)OC(=O)N1CCC(C(=O)C=S(C)(C)=O)CC1 2333247979 YCVJQWYXCDSHRE-UHFFFAOYSA-N 303.424 1.549 10 10 DDCE Cc1ccc(CNC(=O)[C@@H](N)[C@@H](C)F)c(O)c1Br 2327597190 TUAYRIGIXYWQSZ-XCBNKYQSSA-N 319.174 1.765 10 10 DDCE Cc1ccc(CN2CCCNC(=O)C2)c(O)c1Br 2327603028 MPNATPNJDJXTGT-UHFFFAOYSA-N 313.195 1.785 10 10 DDCE NCc1ccc(N2C[C@@H](C(N)=O)C3(CC3)C2)cc1Br 2344334663 NWSXGWBFPKQKDA-NSHDSACASA-N 324.222 1.610 10 10 DDCE C[C@@H](O)CNC(=O)C(=O)N(c1ccccc1)c1ccc(N)cc1 170377234 CGHWZHKKAQMYGN-GFCCVEGCSA-N 313.357 1.431 10 10 DDCE CC(=O)N(C(=O)C(=O)Nc1ccccc1F)c1ccc(N)cc1 170318499 KMXODIBISCLMBZ-UHFFFAOYSA-N 315.304 1.926 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(Br)cnc1Cl 808511534 BUNJKUGCICHOKA-UHFFFAOYSA-N 320.526 1.812 10 10 DDCE CN(CC(=O)N1CCOCC1)Cc1cc(Cl)c(F)cc1O 294983766 SSIOEUVDAACWNT-UHFFFAOYSA-N 316.760 1.475 10 10 DDCE CN1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccc2cccnc2c1O 828635769 KGBNDAKSHGQMBI-GUYCJALGSA-N 315.373 1.012 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@]1(C)C[C@H](O)CN1C 900028045 YQUJEDDADHAYCO-DOTOQJQBSA-N 305.422 1.166 10 10 DDCE Cc1ccc(C(=O)OC[C@H]2CN(C3CC3)C(=O)O2)c(O)c1O 845109598 LRONDBFOFNKHLJ-SNVBAGLBSA-N 307.302 1.546 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cc3cnc[nH]3)C2)cc1 912293495 YJSSMAHQCHKLMR-GFCCVEGCSA-N 300.362 1.356 10 10 DDCE COC[C@@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 849224945 MLYKOEUYSXGYNK-CHWSQXEVSA-N 307.394 1.608 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=O)C(C)(C)C(=O)O)C2)cc1 843332096 HKJZCCYOFGCIRG-LBPRGKRZSA-N 320.389 1.749 10 10 DDCE O=C(NCc1ccc(N2CC=CC2)cc1)N1CCn2nncc2C1 847323260 DLWSSGOBXPOYDJ-UHFFFAOYSA-N 324.388 1.380 10 10 DDCE CN1CCN(c2ccc(CN(C3CC3)[C@H]3CCNC3)cc2)CC1 843055949 SPMIHQCGGSUMBT-IBGZPJMESA-N 314.477 1.765 10 10 DDCE CC(=O)C(=O)COC(=O)C1=Cc2ccccc2O[C@H]1C(F)F 924220163 CPWMKWZWFVIKKL-CYBMUJFWSA-N 310.252 1.797 10 10 DDCE CN1CCN(c2ccc(CNCC[C@H]3CNC(=O)C3)cc2)CC1 922783237 MRZIZFOGPDPFKM-MRXNPFEDSA-N 316.449 1.054 10 10 DDCE CN(C)c1nccc(CNC(=O)NCc2c(O)cccc2F)n1 921813058 VOSRPXUSZKCBAR-UHFFFAOYSA-N 319.340 1.387 10 10 DDCE CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852900729 QKJNGQBMWHQDAZ-WWGRRREGSA-N 305.422 1.764 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CCCCC(N)=O)C2)cc1 855228246 YDRLCGNAOMQELV-ZDUSSCGKSA-N 319.405 1.436 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1CCCN(CCO)C1 697472973 WIWFZZAFNHKEAJ-SNVBAGLBSA-N 314.227 1.900 10 10 DDCE COC1(CS(=O)(=O)N2Cc3cccc(O)c3C2)CCCC1 867691395 VIWNSUKXMVEVAR-UHFFFAOYSA-N 311.403 1.997 10 10 DDCE COC(=O)[C@@H]1C[C@@H]1CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 888830363 UJVPRJPTXMNOGI-UXIGCNINSA-N 319.405 1.922 10 10 DDCE CCOC(=O)CN1C(=O)/C(=C\c2cncnc2)c2ccccc21 781112168 VUKGGVXFZAHXLW-AUWJEWJLSA-N 309.325 1.927 10 10 DDCE CCN1CN(Cc2ccc(N3CCN(C)CC3)cc2)CC1=O 792196099 IVKUUBCPOFHVBW-UHFFFAOYSA-N 302.422 1.060 10 10 DDCE NC(=O)c1nccnc1N1CC=C(c2c[nH]c3ncccc23)CC1 1306923640 XHASJJPSDHZHDI-UHFFFAOYSA-N 320.356 1.746 10 10 DDCE CC(=O)NC1CCC(N(C)C(=O)Cc2ccc(O)c(O)c2)CC1 1154078094 JXOXNDIHFDMYPN-UHFFFAOYSA-N 320.389 1.546 10 10 DDCE COCc1n[nH]c(CNC(=O)N[C@@H](C)c2ccccc2O)n1 1230717484 HYSRHTMOZGQXNW-VIFPVBQESA-N 305.338 1.217 10 10 DDCE O=C1NC[C@H](CNCc2cc(Br)cc(F)c2O)O1 1963622549 FUCMRDDHWHNGKH-QMMMGPOBSA-N 319.130 1.492 10 10 DDCE CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(O)cs1 1293715856 MNMWMZFOWZORIC-UHFFFAOYSA-N 319.386 1.867 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@@H]2CO[C@@H](C)C2)cc1C 1714726027 BMMMUIILZHPRLI-HOCLYGCPSA-N 320.433 1.977 10 10 DDCE C[C@@H]1Cc2n[nH]cc2CN(C(=O)Cc2ccc(O)c(O)c2)C1 1558320405 PISKMBWFFXIDOX-SNVBAGLBSA-N 301.346 1.584 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(c2ccncn2)CC1 1557007742 CFVYGEXGACKFRI-UHFFFAOYSA-N 313.357 1.837 10 10 DDCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1nc[nH]n1 1625755197 NKPRERVKWLXNCN-UHFFFAOYSA-N 323.356 1.955 10 10 DDCE C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 1633018151 GWEKYZBHYSJZJM-SECBINFHSA-N 324.362 1.108 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1[C@H]2CC[C@H]1c1cncnc1C2 1632667030 DIRBSPAZWXSKSK-FZMZJTMJSA-N 311.341 1.719 10 10 DDCE C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1c(O)cccc1O 1645360836 LNQNIXSZKDWNMJ-NWDGAFQWSA-N 309.362 1.688 10 10 DDCE CN(C)c1ccc([C@@H](NC(=O)CCN)c2nccn2C)cc1 1866114963 AVHPSAITSGIUJP-OAHLLOKOSA-N 301.394 1.041 10 10 DDCE COc1cc(Br)c(N2CCNCC2)c(OC)c1 1952598536 DISXNTRXCIJSJL-UHFFFAOYSA-N 301.184 1.876 10 10 DDCE COc1cc(Br)cc([C@@H]2NCCC[C@H]2O)c1O 1952867412 RZWMLNYDNINMMU-KOLCDFICSA-N 302.168 1.949 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)NCc1ccc(N)cc1 1990005154 WAEXQUREBDLGDL-ZDUSSCGKSA-N 323.393 1.161 10 10 DDCE CN(C(=O)CN1CCC[C@@H](C2OCCO2)C1)c1ccc(N)cc1 2145858126 JARDIQOGIIOJKX-CYBMUJFWSA-N 319.405 1.317 10 10 DDCE C[C@H](C(=O)OC(C)(C)C)S(=O)(=O)Nc1ccc(N)cc1 2151217831 QRBSDVXKHDCLBF-SECBINFHSA-N 300.380 1.741 10 10 DDCE C[C@@H](O)c1ccc(N(C)CCN(C)S(C)(=O)=O)c(Cl)c1 2146927028 NAQFEWBWFAKWMN-SNVBAGLBSA-N 320.842 1.721 10 10 DDCE CO[C@H]1CN(Cc2ccc(Br)cc2O)C[C@@H]1N 2009270777 LOQKVRPPLFDQSB-JQWIXIFHSA-N 301.184 1.313 10 10 DDCE NCc1ccc(N2CCOCCOCC2)cc1Br 2041516221 AZZVCLJRANPHGC-UHFFFAOYSA-N 315.211 1.761 10 10 DDCE O=C(O)[C@@H]1CNCCN1Cc1cc(Cl)cc(Cl)c1O 88658879 GKLUQXCYLSULPU-JTQLQIEISA-N 305.161 1.557 10 10 DDCE C[C@@H]1CN(c2cc(Br)c(CN)cc2F)C[C@@H]1O 387568526 JCNLWOQHSADFPF-KRTXAFLBSA-N 303.175 1.864 10 10 DDCE CN(C[C@H]1[C@@H]2CS(=O)(=O)C[C@H]12)c1ccc(CO)c(Cl)c1 2174674993 IVTHXMDXCJBXSK-XYYAHUGASA-N 315.822 1.559 10 10 DDCE COCCS(=O)(=O)CCNCc1cnc(SC)s1 2256939504 FYDOHJCZDIQLNX-UHFFFAOYSA-N 310.466 1.016 10 10 DDCE NCc1ccc(N2CCC[C@@H]2[C@H](O)CO)c(Br)c1 2059280807 SGLNETCSYCXAPD-CHWSQXEVSA-N 315.211 1.230 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)N1CCC[C@H]1CO 2105591675 UTNKITRWDVZVSD-VIFPVBQESA-N 306.771 1.159 10 10 DDCE O=S(=O)(NCCc1ccc(O)c(O)c1)c1cncs1 2092680455 PQWUIRWKUDMHHO-UHFFFAOYSA-N 300.361 1.075 10 10 DDCE CC(C)S(=O)(=O)C[C@](C)(Sc1nccs1)C(=O)O 2327003479 VZFWOLPORYMNLO-JTQLQIEISA-N 309.434 1.902 10 10 DDCE CNC[C@@H](O)CN(C)Cc1ccc(C)c(Br)c1O 2327790604 VAUSGZYHGIUOKC-LLVKDONJSA-N 317.227 1.475 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1csc(N)n1 55272360 SPAYGPPFABGAQW-UHFFFAOYSA-N 304.419 1.992 10 10 DDCE COC(=O)[C@H]1C[C@@H]1C(=O)NCCCSc1nccs1 114374182 LIFGZDDFORVQBJ-IUCAKERBSA-N 300.405 1.551 10 10 DDCE COc1ccc(CNCc2cc(C)nc(N(C)C)n2)c(O)c1 188772309 RVXSWKHTJTVBBQ-UHFFFAOYSA-N 302.378 1.855 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)[C@@H](C)C(F)(F)F)c1 184554910 RPPCSLKTIBRPEC-ZETCQYMHSA-N 313.297 1.771 10 10 DDCE COc1ccc(CN2CCC[C@H](Cn3ccnn3)C2)c(O)c1 92070876 UMSHWHLYCDNFCH-ZDUSSCGKSA-N 302.378 1.905 10 10 DDCE CCCN(Cc1cc(OCC)ccc1O)[C@@H]1CC(=O)N(C)C1=O 282947373 GWGPNJNALJGIEH-CQSZACIVSA-N 320.389 1.760 10 10 DDCE COC(=O)[C@@H](CF)NCc1cc(Br)ccc1O 290125942 JHUBTKBZMZUAHB-SECBINFHSA-N 306.131 1.755 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F 808504704 KBKZIRYSMJBBAI-UHFFFAOYSA-N 320.267 1.972 10 10 DDCE COc1cccc(CNC(=O)C[C@H]2CCOC[C@@H]2OC)c1O 295062373 KWJAWQJFUMZYML-RISCZKNCSA-N 309.362 1.459 10 10 DDCE NC1(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 398168196 NIJMAMIREJMPIR-UHFFFAOYSA-N 307.369 1.160 10 10 DDCE CNC(=O)[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)C1 817414880 KIFIOIRVGWFHDM-QMMMGPOBSA-N 313.741 1.522 10 10 DDCE C/C=C\[C@@H](O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 900508246 LCOPEPOAFTXJQX-MJSXRHKHSA-N 304.390 1.717 10 10 DDCE Cn1ccnc1CN1CCC(C(=O)Nc2ccc(N)cc2)CC1 832250599 UMUJQYAGBJNWFE-UHFFFAOYSA-N 313.405 1.853 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2C[C@@H]3C[C@H]2CS3)cc1 839619821 YIOVHQZDCVUTSO-GJZGRUSLSA-N 305.447 1.559 10 10 DDCE CC[S@](=O)CCNC(=O)NCc1c(O)ccc2c1CCCC2 743616061 FZZGEXWSJKDHDJ-QFIPXVFZSA-N 324.446 1.839 10 10 DDCE COC[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 849224948 MLYKOEUYSXGYNK-STQMWFEESA-N 307.394 1.608 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cnc(C)cn3)C2)cc1 855234577 FOOSQDSUCIGBHA-CYBMUJFWSA-N 312.373 1.802 10 10 DDCE COCC[C@H](C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852033924 CCZNXPQSZLMHRZ-KBPBESRZSA-N 321.421 1.998 10 10 DDCE CCOc1cccc(CN2CCN(c3nccnn3)CC2)c1O 862436774 KNWAEBJRVYCOHK-UHFFFAOYSA-N 315.377 1.298 10 10 DDCE CNC(=O)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(OC)c1O 774844371 ADSSTEWKSVIPIV-NSHDSACASA-N 309.322 1.019 10 10 DDCE COC(=O)COc1ccc(N(C)CCc2nnc(C)o2)cc1 1119810389 PUMQERJFLIDDNK-UHFFFAOYSA-N 305.334 1.609 10 10 DDCE NS(=O)(=O)C[C@H]1CCCN1Cc1cc(Cl)cc(F)c1O 775695771 CNWYIWNNVWIGPD-SNVBAGLBSA-N 322.789 1.438 10 10 DDCE CNC(=O)CCOC1CCN(Cc2ccc(N(C)C)cc2)CC1 770286086 JGIODSBRNCRDCG-UHFFFAOYSA-N 319.449 1.870 10 10 DDCE CC(C)c1noc(CCC(=O)NCc2cc(O)ccc2O)n1 1153879420 OEHRTYNXDYAIKP-UHFFFAOYSA-N 305.334 1.853 10 10 DDCE COc1ccc(N2CC[C@H](Nc3cc(C)nc(CO)n3)C2)cc1 1327688760 PAIRFJYZDXINEQ-ZDUSSCGKSA-N 314.389 1.977 10 10 DDCE C[C@H](NCCCN(C)S(C)(=O)=O)c1c(O)cccc1O 822020197 LJGWSDHZOBILNS-JTQLQIEISA-N 302.396 1.030 10 10 DDCE Cc1nc(S(=O)(=O)Nc2ccc(O)cc2Cl)cn1C 85205151 PFMSKAPXAJYGDH-UHFFFAOYSA-N 301.755 1.888 10 10 DDCE CN1C[C@H]2[C@@H](NC(=O)/C=C\c3ccc(O)c(O)c3)CC[C@H]2C1 1347598496 WAFVRVMSZKZEHD-SJMDPPEKSA-N 302.374 1.567 10 10 DDCE COCCN[C@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 1265509015 QUVVXHHRFJEOSR-JOCQHMNTSA-N 319.365 1.346 10 10 DDCE C[C@@H](CS(C)(=O)=O)N(C)c1cc(Cl)c(CN)cc1F 2120880087 VDGDMVCGDOYLPU-QMMMGPOBSA-N 308.806 1.807 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cccc2oc(O)nc12 1545639377 MQCLVJGYYJFCAN-UHFFFAOYSA-N 300.270 1.875 10 10 DDCE CC1(C)CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC[S@@]1=O 1569102952 ASCNCCVNALNZIQ-DKYZEMOZSA-N 323.414 1.871 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(c2nc[nH]n2)CC1 1641914040 MYRYCFJPXSAFES-UHFFFAOYSA-N 302.334 1.165 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@H]1CC(c2ccccn2)=NO1 1644754277 UQYPKACMHIZBJC-OAHLLOKOSA-N 313.313 1.302 10 10 DDCE O=C(COc1ccc(CO)cc1)NCc1c(O)cccc1F 1645048322 QAZQXVLEBCHHJB-UHFFFAOYSA-N 305.305 1.719 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cnc(-c2ccccn2)nc1 1593743779 CBNLAZAZGKXTSU-UHFFFAOYSA-N 322.324 1.880 10 10 DDCE C[C@H](O)CN(C)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 1689891529 DBDSMMRKPQBQDH-NSHDSACASA-N 321.381 1.282 10 10 DDCE CC[C@@H]1SC(=S)N(CC(=O)Nc2nccs2)C1=O 11635614 FTAABHYXRKHXLZ-LURJTMIESA-N 301.418 1.721 10 10 DDCE COCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C 169813342 PIOVWCZJTFPXLK-MRXNPFEDSA-N 316.405 1.728 10 10 DDCE CCN(CCC(=O)O)c1ccc2c(c1)CCC(=O)N2CCO 259410467 IWAGTBQMBIXUFO-UHFFFAOYSA-N 306.362 1.259 10 10 DDCE COCCSCCNS(=O)(=O)Cc1ccc(N)cc1 2139799462 HRJYFSAUDPMGAX-UHFFFAOYSA-N 304.437 1.068 10 10 DDCE COCCNC(=O)[C@H](C)NCc1cc(Cl)cc(Cl)c1O 228992554 OLBCOJCIZORFHZ-QMMMGPOBSA-N 321.204 1.940 10 10 DDCE CN([C@H]1CCN(c2ccc(CN)c(Cl)c2)C1)S(C)(=O)=O 2146921138 XGWSBKLWWSTEAP-LBPRGKRZSA-N 317.842 1.269 10 10 DDCE C[C@H](CCS(C)(=O)=O)N(C)c1ccc(CN)c(F)c1F 2160735441 HIJMOUKEVZZBNB-SECBINFHSA-N 306.378 1.683 10 10 DDCE C[C@@H](O)c1ccc(N(C)[C@H](C)CCS(C)(=O)=O)cc1O 2160760840 SRYRGFMEDMWSCM-GHMZBOCLSA-N 301.408 1.705 10 10 DDCE CNCc1ccc(N2CC[C@@](O)(CO)C2)cc1Br 314408976 PFUDIVMJHKLJBW-ZDUSSCGKSA-N 315.211 1.102 10 10 DDCE CCN(CC)[C@H]1CCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2063716037 QSZRXQSHMJVYOK-LBPRGKRZSA-N 317.393 1.300 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)c1ccc([C@@H](C)N)c(O)c1 2170559355 DZFWIUZSBIRFDE-WDEREUQCSA-N 300.424 1.671 10 10 DDCE CN[C@@H](C)c1cc(F)c(N2CCS(=O)(=O)CC2)c(F)c1 2194714616 OLOPPEVLJONNBR-VIFPVBQESA-N 304.362 1.480 10 10 DDCE CN1C[C@@H](N(C)c2ccc(CO)cc2Br)CC1=O 2068213328 YUASWTYULZXZIV-JTQLQIEISA-N 313.195 1.608 10 10 DDCE O=S1(=O)CCC(c2noc(-c3sccc3O)n2)CC1 2105140144 ILESVVWCHQMRMR-UHFFFAOYSA-N 300.361 1.796 10 10 DDCE C[C@@H]1CC[C@@H](CNS(=O)(=O)Cc2ccc(N)cc2)S1 2095323991 NPPWBFSCPGGYLQ-MFKMUULPSA-N 300.449 1.972 10 10 DDCE OCc1ccc(N2CC[C@H](O)[C@H](O)CC2)cc1Br 2256971383 ZYECDHUMIVIXIS-BETUJISGSA-N 316.195 1.263 10 10 DDCE COC(=O)C1=C(C)N(C)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1 2294028382 DYBUYWJFNJIFFR-UHFFFAOYSA-N 302.286 1.897 10 10 DDCE CSc1ncc(CNC(=O)c2c(C)nc(=N)[nH]c2C)s1 2284718021 CSRDCAUFWMURAJ-UHFFFAOYSA-N 309.420 1.614 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)c1nn(C)cc1Br 2300530347 OXJNRPGVCUFOKU-UHFFFAOYSA-N 301.148 1.955 10 10 DDCE C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C=Cc1ccc(O)c(O)c1 2307987637 ADZYILPFXWIJNB-OCCSQVGLSA-N 304.390 1.910 10 10 DDCE CN[C@@H](C)C(=O)NCc1ccc(C)c(Br)c1O 2307564587 ATNJPMQNJICDMU-QMMMGPOBSA-N 301.184 1.687 10 10 DDCE C[C@H](CO)CNC(=O)NCc1ccc(N2CCSCC2)cc1 54536492 FIJPYYXMEYGPMT-ZDUSSCGKSA-N 323.462 1.667 10 10 DDCE O=C([C@H]1CCCO1)N1CCN(c2ccc3c(c2)OCCO3)CC1 41379971 GXQYNHHBHCMVIQ-OAHLLOKOSA-N 318.373 1.285 10 10 DDCE COc1ccc(O)c([C@H](C)NS(=O)(=O)N2CCC[C@H]2C)c1 185013247 PPCAQYDSQAFXTP-MNOVXSKESA-N 314.407 1.781 10 10 DDCE COc1cc(Cl)c(N2CCO[C@@H]([C@@H](C)N)C2)c(OC)c1 2368108042 KQCGASZGQVDVQD-NOZJJQNGSA-N 300.786 1.910 10 10 DDCE N[C@@]1(C(=O)O)CCc2c(I)ccc(O)c21 238629144 NLGQUQJVFIJWTG-JTQLQIEISA-N 319.098 1.182 10 10 DDCE CO[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC[C@@H]1C 251995589 WFPNUBIQICWVQL-WMLDXEAASA-N 319.449 1.726 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN(C)C1=O 294357957 AFTVXVYMWYVZNL-INIZCTEOSA-N 317.433 1.970 10 10 DDCE CC(=O)C(=O)COC(=O)CCCn1c(=O)oc2ccccc21 808499485 ZJAPYXUCGZENNV-UHFFFAOYSA-N 305.286 1.076 10 10 DDCE COc1ccc(OCCNC(=O)c2cc(O)c(O)c(O)c2)cc1 586736961 BZYHOSPYOAWNLD-UHFFFAOYSA-N 319.313 1.621 10 10 DDCE N[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CC[C@@H]1C(F)(F)F 903981585 GQLTZSFODGCTSI-VHSXEESVSA-N 318.295 1.832 10 10 DDCE CSC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)O 908758464 LJBJCLIXOPJSKC-GFCCVEGCSA-N 311.407 1.368 10 10 DDCE CN(C)c1ncccc1CNC(=O)NCc1c(O)cccc1F 914071021 CHNSUCLKRIWYRS-UHFFFAOYSA-N 318.352 1.992 10 10 DDCE C[C@@H]1[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C 915367072 VHHHYZXEKKYMRL-BXUZGUMPSA-N 308.401 1.784 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1ccc2c(n1)OCCO2 847589847 NXPUYCDIQCFXTO-UHFFFAOYSA-N 316.313 1.237 10 10 DDCE CN(C)c1ccc(CN(C(=O)NC/C=C\CN)C2CC2)cc1 841994279 DCPBLSAFCKNGEM-ARJAWSKDSA-N 302.422 1.942 10 10 DDCE COc1ccc(N2CC[C@@H](Nc3cncc(C(N)=O)n3)C2)cc1 853758580 HVHXUONAMAOQPX-LLVKDONJSA-N 313.361 1.275 10 10 DDCE O=C(NCc1c(O)cccc1F)NC[C@H]1CC(=O)N(C2CC2)C1 921868873 UMBZXMNLFGEZBA-SNVBAGLBSA-N 321.352 1.341 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cc[n+]([O-])cc3)C2)cc1 855234949 ROISJNYCYMPHJX-CQSZACIVSA-N 313.357 1.337 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn2cccnc2n1 753639748 BELCIJMCBNDFRG-SNVBAGLBSA-N 312.329 1.502 10 10 DDCE CCOc1cccc(CNC[C@]2(OCCO)CCOC2)c1O 850358465 PJDLITMLSMDAFO-MRXNPFEDSA-N 311.378 1.049 10 10 DDCE Cc1c(/C=C/C(=O)N2CCCc3c(C(N)=O)cccc32)cnn1C 160152892 WQZAEUJYAQCGMJ-CMDGGOBGSA-N 324.384 1.820 10 10 DDCE CCON(CC)C(=O)CNC(=O)N[C@H](C)c1ccccc1O 868802674 FJSDGKNEFCRPOU-LLVKDONJSA-N 309.366 1.552 10 10 DDCE CNS(=O)(=O)CCCNCc1c(O)cc(C)cc1Cl 865706219 POXUDRYEOJKHID-UHFFFAOYSA-N 306.815 1.383 10 10 DDCE COC(=O)[C@@]1(O)CCN(Cc2cc(Cl)cc(F)c2O)C1 895704524 WTFDNSRTDLAMKY-CYBMUJFWSA-N 303.717 1.295 10 10 DDCE CN1CC[C@@H](N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1=O 1157543594 WDHZWARLKXPMRX-LLVKDONJSA-N 303.322 1.152 10 10 DDCE O=C(Cc1ccc(-n2cnnc2)cc1)NCc1ccc(O)c(O)c1 1150377976 NGRZWPFLRWKBLY-UHFFFAOYSA-N 324.340 1.537 10 10 DDCE CSc1ncc(CN[C@@H]2CCCS(=O)(=O)CC2)s1 2257097859 UIUDORACKUGSHZ-SECBINFHSA-N 306.478 1.922 10 10 DDCE CO[C@@](C)(CO)CNCc1cccc(Br)c1O 702532425 QRJDXJZRKQBJEP-GFCCVEGCSA-N 304.184 1.642 10 10 DDCE CNCc1ccc(N(C)Cc2cn(C)nn2)c(Br)c1 689242178 DEPMZURWPXNUOF-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2CC23CC3)cc1C 1320280910 LQGDKQXNSTZEMA-GJZGRUSLSA-N 318.417 1.370 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H](C)C(C)C)cc1C 1278165397 WNWXJTIVQSNWDC-GOEBONIOSA-N 322.449 1.862 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)c2ccoc2)cc1C 1283735922 UUGGVXYNBFXYGR-HNNXBMFYSA-N 318.373 1.477 10 10 DDCE O=C(CCc1cnccn1)NCc1ccc2cccnc2c1O 1299724559 FERGGRIIWBKKTB-UHFFFAOYSA-N 308.341 1.979 10 10 DDCE CC(C)CN(Cc1nn[nH]n1)C(=O)/C=C/c1ccc(O)c(O)c1 1471645979 NCOHGEWTQOGJOG-GQCTYLIASA-N 317.349 1.309 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2ccn(C)n2)cc1C 1716423593 ZMCBJCODOGPEBQ-CYBMUJFWSA-N 316.405 1.645 10 10 DDCE Cc1ccc(C(=O)NCc2nc3c([nH]2)CCCC3)c(O)c1O 1558537405 KMXNUUKJKIZPHE-UHFFFAOYSA-N 301.346 1.938 10 10 DDCE Cn1cc(CC2CN(C(=O)Cc3ccc(O)c(O)c3)C2)cn1 1630729033 VAAYTGJEZWDRKB-UHFFFAOYSA-N 301.346 1.075 10 10 DDCE CCO[C@H]1C[C@](O)(CNC(=O)Cc2ccc(O)c(O)c2)C1(C)C 1635726363 QBVJRSXMWLSVOT-YOEHRIQHSA-N 323.389 1.323 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cc(O)nc(C2CC2)n1 1635847369 MVAHQQJXMVQQSC-UHFFFAOYSA-N 301.302 1.401 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN1C[C@H](O)CC12CNC2 2130046836 HUJKHJIWCGTNSL-SNVBAGLBSA-N 303.189 1.608 10 10 DDCE CC[S@@](=O)(=NC[C@H](O)COc1ccc(N)cc1)C(C)C 1913893766 XFTIMSYTBDHAGO-RBZFPXEDSA-N 300.424 1.905 10 10 DDCE C[C@@H](CS(=O)(=O)N(C)C)N[C@H](C)c1cc(F)ccc1O 1967466090 QZQZHQOFDOIGET-VHSXEESVSA-N 304.387 1.462 10 10 DDCE NCc1ccc(N2C[C@@H](O)C(F)(F)C2)c(Br)c1 1946669110 WDAPYWSJGYGKHL-SNVBAGLBSA-N 307.138 1.724 10 10 DDCE Oc1c(Br)cccc1CNC[C@@H]1COC[C@@H]1O 1948501015 IOQNKJRZOPRIFA-KOLCDFICSA-N 302.168 1.252 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCCC[C@H]1C1OCCO1 2145809996 RMDWBMJWONBHTQ-DOMZBBRYSA-N 319.405 1.823 10 10 DDCE O=C(CNCc1ccc(O)c(O)c1O)NCc1ccccc1 309802816 XVHJCXZDURTJPY-UHFFFAOYSA-N 302.330 1.209 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1O 2170633504 PZMRHGTVPKIMGM-AXFHLTTASA-N 300.424 1.670 10 10 DDCE Oc1cccc(Br)c1CN[C@H]1CCOC[C@H]1O 706808759 ZIZNVDKMYIUBLT-CMPLNLGQSA-N 302.168 1.394 10 10 DDCE COCC(COC)S(=O)(=O)Nc1cc(C)c(O)cc1C 688567368 ZAXIHUFCKPIMTP-UHFFFAOYSA-N 303.380 1.412 10 10 DDCE CNC(=O)c1cnn(Cc2cccc(C(F)(F)F)c2O)c1O 2070461217 VDSRCRFNZBBHMS-UHFFFAOYSA-N 315.251 1.721 10 10 DDCE COC(=O)[C@H](NCCCN=[N+]=[N-])c1c(C)nn(C)c1Cl 2175339734 WNWTYPYPGAGYGW-SECBINFHSA-N 300.750 1.886 10 10 DDCE NCCc1csc(NS(=O)(=O)Cc2ccc(N)cc2)n1 2201910169 BQWYGKLLTOOSDN-UHFFFAOYSA-N 312.420 1.168 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@@H]2[C@@H](O)CO)cc1Br 2258330790 JSHBRANKUVVZHM-WQHBLYJGSA-N 316.195 1.434 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2cccc(N)c2)s1 2269133677 LMLKDJPRZYWLJG-UHFFFAOYSA-N 315.445 1.926 10 10 DDCE C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C=Cc1ccc(O)c(O)c1 2307987636 ADZYILPFXWIJNB-JSGCOSHPSA-N 304.390 1.910 10 10 DDCE C[C@H](O)CN1CCN(C(=O)C=Cc2ccc(O)c(O)c2)[C@H](C)C1 2312437465 SEQUALHKJXZPKH-OLZOCXBDSA-N 320.389 1.025 10 10 DDCE O=C(Cn1ccnn1)N(Cc1ccccc1O)C[C@H]1CCCO1 176587117 MKGAJVUPASOVGC-CQSZACIVSA-N 316.361 1.192 10 10 DDCE CN1CCO[C@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 104799506 INOXQOHIOQIUMX-MRXNPFEDSA-N 320.437 1.225 10 10 DDCE CC(=O)N(C(=O)C(=O)Nc1nc(C)cs1)c1ccc(N)cc1 170318455 CCUCVULJFDUSKX-UHFFFAOYSA-N 318.358 1.552 10 10 DDCE CN[C@@H](C)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1Cl 2361482780 JMMBDKUHLHYHQA-IMSIIYSGSA-N 314.838 1.854 10 10 DDCE COC[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@@H](C)O1 188381429 REWPXNGSRPPYGF-CRAIPNDOSA-N 320.433 1.759 10 10 DDCE C[C@@](N)(C(=O)O)c1ccc(I)cc1O 238415032 JMSPIEJUDWUPPQ-VIFPVBQESA-N 307.087 1.255 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H]2COCCC2(F)F)cc1 2166684069 IJTMGOBOKZYIPX-LLVKDONJSA-N 306.334 1.112 10 10 DDCE CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc2cccnc2c1O 828635770 KGBNDAKSHGQMBI-SUMWQHHRSA-N 315.373 1.012 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)[C@@]2(C)C[C@H]3CC[C@H]2O3)cc1 832286364 YPJSLPXIIZUQTC-KONPQCLYSA-N 317.433 1.826 10 10 DDCE CO[C@H](COC(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCOC1 849744606 CVXXKNMECVVZOA-RFCFBSKUSA-N 308.330 1.706 10 10 DDCE CCc1nc(C)c(CC(=O)NCc2ccc(O)cc2O)c(C)n1 910957676 VCCHKDXPKYGGBH-UHFFFAOYSA-N 315.373 1.926 10 10 DDCE CCOCc1cc(CNC[C@@H](O)c2ccnn2C)ccc1OC 922973523 PXEFOHSGIXLJCJ-MRXNPFEDSA-N 319.405 1.788 10 10 DDCE COC(=O)[C@@H]1C[C@@H]1[C@H](C)NCc1ccc(N2CCOCC2)cc1 850071052 ZVMQHIRGXYLNMW-IAOVAPTHSA-N 318.417 1.810 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cc(O)nc(C2CC2)n1 928707019 ZSXVCLDMSBCWKJ-UHFFFAOYSA-N 303.293 1.834 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCCC[C@H](C)O)C2)cc1 854300239 XFZDGCQOWRBLAF-UONOGXRCSA-N 321.421 1.734 10 10 DDCE COc1ccc(CNS(=O)(=O)CCOC(C)(C)C)c(O)c1 867218128 VRXZDXQEPPCADY-UHFFFAOYSA-N 317.407 1.635 10 10 DDCE CN(C)c1ccc(CNCCn2ncc(Br)n2)cc1 1875993674 CEVIOHYOALARFN-UHFFFAOYSA-N 324.226 1.896 10 10 DDCE CN(C)[C@H](C(=O)N1Cc2cccc(O)c2C1)c1cncn1C 871204533 FTGZKEJBTPPBDL-HNNXBMFYSA-N 300.362 1.271 10 10 DDCE CC(=O)C(=O)COC(=O)Cc1ccccc1N1CCCC1=O 884882160 UTIBBISDDXGVSX-UHFFFAOYSA-N 303.314 1.057 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(O)cn1 1136396690 DNNKWKDQCDCELQ-UHFFFAOYSA-N 313.357 1.554 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C[C@H]1CC(=O)N1 1136025479 LTKXSQXUCUNRQH-CQSZACIVSA-N 301.390 1.524 10 10 DDCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccncc1 1084246474 REYRVVJWMBPMIA-LCYFTJDESA-N 311.272 1.887 10 10 DDCE CCOC(=O)[C@H]1CNCCN1C/C=C/c1ccc(N(C)C)cc1 1326198404 CSHLJRYUHZFUPK-FUTAKVPZSA-N 317.433 1.603 10 10 DDCE C[C@H](O)CN(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1496844102 PUXDUYWQJZKMTC-NSHDSACASA-N 321.381 1.234 10 10 DDCE NC(=O)c1cccc(CCNC(=O)Cc2ccc(O)c(O)c2)c1 1584356997 VMGXIGMWNTZBEL-UHFFFAOYSA-N 314.341 1.098 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc(Cn2ccnn2)cc1 1597574816 TYDIFXMDNWNGRI-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE COc1ccc(CNCCCCCO)cc1CN1CCOCC1 13735967 WWPJKHFDRBSRSE-UHFFFAOYSA-N 322.449 1.780 10 10 DDCE Cn1ncc(NCc2ccc(N)cc2)c(Br)c1=O 160045836 LAMFKGZJURDHEW-UHFFFAOYSA-N 309.167 1.737 10 10 DDCE CNCc1ccc(N2CCC[C@H]2C(N)=O)cc1C(F)(F)F 167346270 MCUXGSDQYZSFKJ-LBPRGKRZSA-N 301.312 1.879 10 10 DDCE CN(c1ccc(CN)cc1Br)C(C)(C)C(N)=O 1915536567 VHOHVIWZKQBTEJ-UHFFFAOYSA-N 300.200 1.608 10 10 DDCE O=S1(=O)C[C@H]2C[C@H](NCc3ccc(Cl)cc3O)C[C@H]2C1 1974484752 SZFFEAAQYCWZFA-PJXYFTJBSA-N 315.822 1.958 10 10 DDCE NC(=O)[C@@H]1C[C@@H](N)CN(Cc2cc(Cl)cc(Cl)c2O)C1 2151020677 FBJRIQQXCLEDEW-PSASIEDQSA-N 318.204 1.334 10 10 DDCE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N(C)c1ccc(N)cc1 1993301025 XWJCYASBTVAWKG-MFKMUULPSA-N 323.393 1.506 10 10 DDCE CON1CC[C@H](NCc2cccc(Br)c2O)C1 2005021809 IIPHCILMRPOCAL-JTQLQIEISA-N 301.184 1.880 10 10 DDCE CC(C)C[C@@H](NS(C)(=O)=O)C(=O)NCCCCN=[N+]=[N-] 706286318 SWMSDHCVJCPHLR-SNVBAGLBSA-N 305.404 1.157 10 10 DDCE CN(C[C@@H]1CCCS1(=O)=O)c1c(F)cc(CO)cc1F 694134575 WMQBNQPULGNVIU-JTQLQIEISA-N 305.346 1.471 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](NCc2cccc(O)c2O)CO1 722502485 MFMLXUKBGARQOB-LLVKDONJSA-N 310.350 1.738 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N[C@@H]2CCC[C@H]2F)cc1 2175567196 TZMJVXOJDCELRI-CHWSQXEVSA-N 302.371 1.458 10 10 DDCE CC(C)[C@@H](CN)CS(=O)(=O)N(C)Cc1ccccc1O 2192589439 JKBBHMQUZBFDNR-ZDUSSCGKSA-N 300.424 1.385 10 10 DDCE NC(=O)[C@H]1CCC[C@@H]1NCc1cccc(Br)c1O 2053788548 IPWNJRMPYIJZKF-ONGXEEELSA-N 313.195 1.898 10 10 DDCE O=C(Nc1nccnc1Br)c1cc(O)nc(O)c1 2057938953 LXLBDOQZJDUJIW-UHFFFAOYSA-N 311.095 1.298 10 10 DDCE Cc1cc(N2CC(S(=O)(=O)C(F)F)C2)ccc1CCN 2206686360 WQHCKHUFVPMRJC-UHFFFAOYSA-N 304.362 1.322 10 10 DDCE COc1cc(OC)c(N2C[C@@H](CO)C[C@@H]2CO)cc1Cl 2285919498 KFGPSRHEPKNKOG-VHSXEESVSA-N 301.770 1.537 10 10 DDCE Cc1cc(O)cc(C)c1NS(=O)(=O)CC(C)(C)C(=O)O 2290061766 JPJUEJCIHWHIRY-UHFFFAOYSA-N 301.364 1.862 10 10 DDCE CS(=O)(=O)[C@H]1CC[C@@H](Sc2ncc(C(=O)O)s2)C1 2319418410 OTPJBIIJJYGVRE-RQJHMYQMSA-N 307.418 1.899 10 10 DDCE Cc1ccc(CN2CC[C@](O)(CO)C2)c(O)c1Br 2327624885 WBVONPYTDDCBEH-CYBMUJFWSA-N 316.195 1.392 10 10 DDCE C[C@@H](N)c1cc(F)c(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)c(F)c1 2361611977 MVVHHYFONGDYTN-VFWDIBGWSA-N 302.346 1.218 10 10 DDCE Cc1cc(CNCCS(N)(=O)=O)c(C)n1-c1ccccc1 36744798 NHROFQRWYVUSTQ-UHFFFAOYSA-N 307.419 1.472 10 10 DDCE COc1ccc(O)c(CNc2ccc(S(C)(=O)=O)nc2)c1 36931790 JSZCOHXSLLIYSW-UHFFFAOYSA-N 308.359 1.811 10 10 DDCE CN(C)C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCO1 128098795 DPNQMTPIWZKUNS-GOSISDBHSA-N 319.449 1.286 10 10 DDCE CN1C(=O)C(=Cc2ccc(N3CCCC3)nc2)C(=O)N(C)C1=O 123327326 CHLBBUJNLDEAGQ-UHFFFAOYSA-N 314.345 1.116 10 10 DDCE Cn1cc([C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)cn1 181092945 JCWIVYXXDLCMHC-LQPUYASZSA-N 313.357 1.861 10 10 DDCE CN(C)N[C@H]1C[C@@H](c2ccccc2)C(C#N)(C#N)C1(C#N)C#N 34327872 SZIWODYIOGNZQO-GJZGRUSLSA-N 304.357 1.676 10 10 DDCE CCCS(=O)(=O)N(C)Nc1ncc(CC(=O)OCC)s1 2365282998 KFSDMNVAXNYREL-UHFFFAOYSA-N 321.424 1.247 10 10 DDCE C[C@H](NN(C)S(=O)(=O)C1CCC1)c1ccc(O)cc1O 2365329242 RBZXGLPYJHXRRA-VIFPVBQESA-N 300.380 1.478 10 10 DDCE COc1ccc(N(C)C[C@@H](O)CN2CCCC2=O)c(OC)c1 132056674 SMGZNIQTVMMXGN-GFCCVEGCSA-N 308.378 1.123 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@@H](CC(N)=O)C2)cc1 806324538 IVEVOHCKLIRAPO-ZDUSSCGKSA-N 304.394 1.160 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C1(C(=O)N(C)C)CC1 806867989 CIDSNJMIZBBMOL-UHFFFAOYSA-N 303.406 1.546 10 10 DDCE CC(=O)c1cc(F)cc(CN2CC[C@](O)(C(F)F)C2)c1O 831175566 MNTHWWCWNUWEHL-CQSZACIVSA-N 303.280 1.936 10 10 DDCE Cc1cc(N(C)C)ccc1CNS(=O)(=O)CC1(F)CC1 914119744 OSFWWQTWGKYMRI-UHFFFAOYSA-N 300.399 1.983 10 10 DDCE C[C@@H](O)[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCO1 840244504 OBDMASADNJEBDB-DOMZBBRYSA-N 307.394 1.044 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)C(OC)OC)c1 923672272 VANVMJSIHSAIKM-ZJUUUORDSA-N 312.366 1.768 10 10 DDCE Nc1ccc(CCNS(=O)(=O)CCC[C@H]2CCOC2)cc1 842821861 PMKZUJKVMDUCKP-AWEZNQCLSA-N 312.435 1.547 10 10 DDCE COc1cccc(O)c1CN1CC[C@@H](Nc2ncccn2)C1 843415306 IYWIFIHKBNFEGI-GFCCVEGCSA-N 300.362 1.877 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C(C)(C)NC(C)=O)C2)cc1 855229105 HQHGBYRIOOTYSM-ZDUSSCGKSA-N 319.405 1.305 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2cn3c(n2)COCC3)c1 860242696 TVVQCTDNFZNANF-SNVBAGLBSA-N 317.345 1.619 10 10 DDCE CNCCOCCN(C)Cc1cccc(Br)c1O 863647287 IFENDSURBQCKAA-UHFFFAOYSA-N 317.227 1.823 10 10 DDCE O=C(CS(=O)(=O)C1CCCC1)N1Cc2cccc(O)c2C1 871201369 ULFLTIPIDFZYLI-UHFFFAOYSA-N 309.387 1.592 10 10 DDCE CCO[C@@H]1COCC[C@@H]1CC(=O)NCc1c(O)cccc1O 1156885260 BCTJVVIBCUQAQX-IAQYHMDHSA-N 309.362 1.546 10 10 DDCE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NCCN=[N+]=[N-])C1 1963816186 FCMBDFJXALKAGJ-SECBINFHSA-N 301.322 1.618 10 10 DDCE COCC(=O)N[C@H]1C[C@H](CNCc2ccc(OC)c(C)c2)C1 1276927784 HBWFOVMPCKYUOU-SHTZXODSSA-N 306.406 1.634 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCc1ccc(O)c(CO)c1 1455315424 MBVMRILWOSYSMY-UHFFFAOYSA-N 317.341 1.197 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCNC(=O)C2CC2)cc1 1522489680 XMHXSPSVTQCEMX-UHFFFAOYSA-N 303.322 1.105 10 10 DDCE COCCN(CCOC)C(=O)c1ccc(N=NC(N)=O)cc1 1618492740 GYPGJZBBRXJLFO-UHFFFAOYSA-N 308.338 1.584 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCc2nnc(O)n2C1 1628680650 PTNHEICJJWAZHB-MRVPVSSYSA-N 322.752 1.222 10 10 DDCE COc1cccc([C@@H](O)C(=O)NCc2c(O)cccc2O)c1 1639292586 IYVLWXKXTGBEDR-OAHLLOKOSA-N 303.314 1.456 10 10 DDCE CN(C[C@@H](O)c1cccnc1)C(=O)Cc1ccc(O)c(O)c1 1653448137 ZMLMLQFMEUYQTF-OAHLLOKOSA-N 302.330 1.227 10 10 DDCE CCN(Cc1ccc(N)cc1)C(=O)[C@H]1CCCCS1(=O)=O 167822026 QVWZEMALRWQXRN-CQSZACIVSA-N 310.419 1.585 10 10 DDCE C[C@@H]1C[C@@H](C)CN(C(=O)c2nnn(-c3ccc(N)cc3)n2)C1 1857879176 XIZIIASRXIFTIO-GHMZBOCLSA-N 300.366 1.363 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc([C@@H]2CNCC(=O)N2)c1O 1952682500 LORNMPSPQZLWNH-NSHDSACASA-N 307.350 1.500 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)NCc1ccc(N)cc1 1990004969 WAEXQUREBDLGDL-CYBMUJFWSA-N 323.393 1.161 10 10 DDCE CC[C@H](CS(C)(=O)=O)Nc1c(N)cccc1C(=O)OC 2146300587 WMHRPTHCQJOOEE-SECBINFHSA-N 300.380 1.291 10 10 DDCE C[C@@H]1[C@@H](CN(C)S(=O)(=O)Cc2ccc(N)cc2)C1(F)F 2153631123 AMAXFJLFFYLCNU-BXKDBHETSA-N 304.362 1.932 10 10 DDCE CS(=O)(=O)N1CCC[C@H](NCc2cc(F)ccc2O)C1 400154818 FIJGAIVBSAPEDV-LBPRGKRZSA-N 302.371 1.045 10 10 DDCE C[C@@H](CO)N1CCN(c2cc(Cl)c(CN)cc2F)CC1 2177393394 QZYLWYCIJNARGM-JTQLQIEISA-N 301.793 1.441 10 10 DDCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1cnc(C(F)(F)F)s1 2196688213 AXOBZZJUKHWOLY-ZCFIWIBFSA-N 308.289 1.978 10 10 DDCE C[C@@H](O)c1cc(F)c(N(C)[C@H](C)CS(C)(=O)=O)c(F)c1 2194510235 JHSTWBXJVHWOSU-RKDXNWHRSA-N 307.362 1.887 10 10 DDCE O=S(=O)(Nc1ccc(O)c(Cl)c1)[C@H]1CC[C@@H](CO)C1 2101586549 KQWAIQPIUOUOSF-SCZZXKLOSA-N 305.783 1.948 10 10 DDCE NCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1Br 2081460965 WFDHSTDGGSQCLS-IAZYJMLFSA-N 310.195 1.075 10 10 DDCE COCCNCc1cnc(SC[C@]2(OC)CCOC2)s1 2285439142 JKUAGMNVSIAPET-ZDUSSCGKSA-N 318.464 1.777 10 10 DDCE CCCCNC=C1C(=O)NC(=O)N(c2ccccc2C)C1=O 2296676450 GROYBSBVXFDCIO-UHFFFAOYSA-N 301.346 1.851 10 10 DDCE COC(=O)CCCS(=O)(=O)NCc1cccc(C)c1O 1201923848 MTKMYDCWYVLKLB-UHFFFAOYSA-N 301.364 1.073 10 10 DDCE CSc1ccc(/C=C2\SC(NC(CO)CO)=NC2=O)cc1 33372084 SQTVMTKFLBDZGX-SDQBBNPISA-N 324.427 1.322 10 10 DDCE C[C@@H](NN(C)S(=O)(=O)C1CCC1)c1cc(F)ccc1O 2365329046 OLSRHPMEUMNVCL-SECBINFHSA-N 302.371 1.911 10 10 DDCE CS(=O)(=O)[C@@H]1CSCCN1c1ccc(CN)c(Cl)c1 90921462 VSDPORTWDUMWMQ-GFCCVEGCSA-N 320.867 1.723 10 10 DDCE O=S1(=O)C=C[C@H](NCc2cc(Br)ccc2O)C1 236616640 WEAAGJIDFHMPSB-JTQLQIEISA-N 318.192 1.555 10 10 DDCE CN(C)c1ccc(/C=C\C=c2sc3n(c2=O)CCCN=3)cc1 252622236 NRCFBLVXXATGHS-ZEPBABEFSA-N 313.426 1.493 10 10 DDCE CC(=O)N[C@H](C)C(=O)NCc1cc(Br)ccc1O 804737625 MXCHRUNXOODWAM-SSDOTTSWSA-N 315.167 1.296 10 10 DDCE COC(=O)[C@@](C)(O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 808744007 SZCDPSHRHQXOJM-DYVFJYSZSA-N 322.405 1.098 10 10 DDCE CC(C)CCS(=O)(=O)C[C@H](O)COc1ccc(N)cc1 722442328 VXGMJHAEDAMPIS-CYBMUJFWSA-N 301.408 1.469 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@@H](C)C(O)[C@H](C)C2)c1O 827151995 OSGDSWXGYGUHIA-NXEZZACHSA-N 310.350 1.758 10 10 DDCE CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2ccccc2O)CCCO1 901124913 QYTULYIGLATOIB-KRWDZBQOSA-N 321.373 1.899 10 10 DDCE CC(C)[C@](C)(CO)NCC(=O)NCc1ccc(N(C)C)cc1 839606511 FYQYOVWYTGXIDS-KRWDZBQOSA-N 307.438 1.365 10 10 DDCE CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)n1ccnc1 912615713 PHEFKUSHNDOPMW-GQCTYLIASA-N 301.346 1.859 10 10 DDCE COc1ccc(N2CC[C@@H](N3C(=O)N(C)C(C)(C)C3=O)C2)cc1 849358448 WEUUMALGGCZASA-CYBMUJFWSA-N 317.389 1.947 10 10 DDCE CCON(C)C(=O)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 845125888 QOLKSXDQHQJICT-GFCCVEGCSA-N 322.409 1.523 10 10 DDCE CN(C)c1noc(CCC(=O)NCc2c(O)cccc2F)n1 928707125 AMNFTEMHGGKIJI-UHFFFAOYSA-N 308.313 1.229 10 10 DDCE CO[C@]1(CO)CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 853244602 OXQKDRYPLWURIY-QGZVFWFLSA-N 321.421 1.436 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CCCCCN)C2)cc1 852844003 MORCPJIXYXFDHU-AWEZNQCLSA-N 305.422 1.909 10 10 DDCE CCN(CC)c1ccc(CN2CCn3c(CO)nnc3C2)cc1 769517054 OCMXYTHEIAKPFH-UHFFFAOYSA-N 315.421 1.632 10 10 DDCE COC[C@H]1C(=O)N[C@@H](c2c(O)cccc2Br)N1C 864387546 JXNDJSDLVIJLIF-GZMMTYOYSA-N 315.167 1.230 10 10 DDCE CCNC(=O)C1CN(Cc2c(O)cccc2Br)C1 862389585 MAMIOXGSNPPDMM-UHFFFAOYSA-N 313.195 1.723 10 10 DDCE Cc1nnc(COCC(=O)N2Cc3cccc(O)c3C2)s1 871205679 WZXUYGBMXHCPQB-UHFFFAOYSA-N 305.359 1.611 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1C[C@@H]2C[C@H]2C1 1118118987 JQAUYVHSABFSLG-KBPBESRZSA-N 315.417 1.626 10 10 DDCE CC(=O)N1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H](C)C1 779535448 XGKCCQIAJQTPTC-DUMNWFOQSA-N 304.346 1.190 10 10 DDCE COc1ccc(O)c(CN2CCN(Cc3nccn3C)CC2)c1 775681394 PUJRELOPHWXTEG-UHFFFAOYSA-N 316.405 1.452 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=N)NCC(F)F)C2)cc1 887361863 MEPQIIJXCNJPGW-NSHDSACASA-N 312.364 1.901 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2cccnc2C(N)=O)c1 787446140 OPOQPSDVVPNNHK-SECBINFHSA-N 315.329 1.386 10 10 DDCE C[C@H](NC(=O)c1cccnc1C(N)=O)c1ccc(N(C)C)cc1 787532923 JGQOCKUNNNTXBB-NSHDSACASA-N 312.373 1.738 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(N)cc2)[C@H](O)C1 1896043909 KEEYCGFDSLLNBK-HUUCEWRRSA-N 321.421 1.729 10 10 DDCE CC[C@@H](CNC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961050163 RIYPASZYVSRYIN-SRVKXCTJSA-N 312.410 1.803 10 10 DDCE C[C@H]1C[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 1322189567 IIBJWQKGLSHIHC-ZFWWWQNUSA-N 315.417 1.675 10 10 DDCE CCC(C)(C)[C@@H](C)NC(=O)C(=O)NCCc1ccc(N)cc1 1329838688 VOXUQONWUYXGPF-GFCCVEGCSA-N 305.422 1.868 10 10 DDCE CC(C)(C)OC(=O)N1CC(O)(CNCc2ccc(O)cc2O)C1 1918693389 HHDPFUPYFPIOFK-UHFFFAOYSA-N 324.377 1.169 10 10 DDCE O=C(N[C@H](CO)[C@@H]1CCOC1)c1cc2cc(O)c(O)cc2s1 1624232474 KXQBOSAQDYCOQY-PSASIEDQSA-N 323.370 1.440 10 10 DDCE C/C=C\C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OCC 1556145561 KPSXYXABDRYYSN-FHMRSRPSSA-N 307.346 1.654 10 10 DDCE Cc1nnc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)s1 1557632566 SIAGIESBQDDFEP-XQRVVYSFSA-N 305.359 1.930 10 10 DDCE NC(=O)c1cc(N2CC=C(c3c[nH]c4ncccc34)CC2)ncn1 1559061923 FFFSSTKDYLKHKX-UHFFFAOYSA-N 320.356 1.746 10 10 DDCE CCN1C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C(C)(C)C1 1645341442 OWNZBUKZQNCJHD-VFADXPBXSA-N 304.390 1.958 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1coc2c1C(=O)NCCC2 1570463133 HLEBNYBCLOQBQA-UHFFFAOYSA-N 316.313 1.297 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCc2ccoc2)c1 1584661746 LLZRDCHNJDAXPZ-UHFFFAOYSA-N 324.358 1.329 10 10 DDCE Nc1ccc(CS(=O)(=O)N=S2(=O)CCCCC2)cc1 1913520691 XZFCRCGNQUKTLY-UHFFFAOYSA-N 302.421 1.751 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@H]1CCCN(C(=O)C2CC2)C1 1593872910 GDIBFDSXFVXUBV-GFCCVEGCSA-N 318.373 1.363 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2COC[C@H]2N(C)C)c1O 1922010548 IIOKJNKZHCWNQL-NWDGAFQWSA-N 300.786 1.473 10 10 DDCE O=S1(=O)C[C@H]2C[C@H](NCc3cc(Cl)ccc3O)C[C@H]2C1 1974475824 JLKNJJIBCULLEY-PJXYFTJBSA-N 315.822 1.958 10 10 DDCE C[C@H]1CN(c2ccc(CO)c(Br)c2)CC[S@]1=O 2004529913 MNZYEMZXXGZGTC-HUTHGQBESA-N 318.236 1.899 10 10 DDCE CN[C@@H](CN1CC(NC(=O)OC(C)(C)C)C1)c1ccccc1O 1980572050 GBQLYFWKWRLMHM-AWEZNQCLSA-N 321.421 1.862 10 10 DDCE C[C@@H](N)c1ccc(N2CCS(=O)(=O)C(C)(C)C2)c(F)c1 2170277634 HGZPTYQHFLKYFY-SNVBAGLBSA-N 300.399 1.859 10 10 DDCE CC(C)S(=O)(=O)CCN(C)c1ccc(CN)c(F)c1F 2170435340 CKVFRDALQIDHHJ-UHFFFAOYSA-N 306.378 1.683 10 10 DDCE C[C@@H](N)c1ccc(N(C)CCC(N)=O)c(Br)c1 723199845 BUKNISVDSNFQNX-MRVPVSSYSA-N 300.200 1.780 10 10 DDCE NCc1ccc(N2CC(n3ccnn3)C2)c(Br)c1 2050820752 ZGRINEWYEZDRAO-UHFFFAOYSA-N 308.183 1.561 10 10 DDCE CCNCc1cnc(Sc2nnnn2CCOC)s1 2099105189 GRVHZSCMJXJHJJ-UHFFFAOYSA-N 300.413 1.037 10 10 DDCE Cc1cccc(CNS(=O)(=O)CCC(F)(F)CO)c1O 2204628282 XKMKMTQAOSEWIF-UHFFFAOYSA-N 309.334 1.138 10 10 DDCE O=C(O)CN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2293026455 LJHBZLNAIVJDIT-UHFFFAOYSA-N 323.351 1.701 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CC[C@H](CN)OC2)s1 2269085110 FJUZQFLSZZDTTK-RKDXNWHRSA-N 301.437 1.235 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@H]2CCCNC2)s1 2269083749 ASYWTYPKFWWBHW-VIFPVBQESA-N 321.493 1.284 10 10 DDCE CSc1ncc(CNC(=O)N2CC=CC[C@@H]2C(=O)O)s1 2284544733 SHHUSTGLCOOOGW-SECBINFHSA-N 313.404 1.790 10 10 DDCE CO[C@H]1COCCN(c2ccc(CN)cc2Br)C1 2326647972 VVVJBQJGQNVYPO-LLVKDONJSA-N 315.211 1.759 10 10 DDCE Cc1ccc(CNC[C@H]2CNCCO2)c(O)c1Br 2327628968 MSNJEFHWDCAUNZ-LLVKDONJSA-N 315.211 1.541 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCO[C@H](C)C2)s1 2345467810 FYIYDJJMFPKYRT-PRHODGIISA-N 302.421 1.977 10 10 DDCE CN(C[C@@H]1CCCO1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 301710065 XHYWOBIISBQKBT-VIFPVBQESA-N 307.306 1.541 10 10 DDCE CN(C[C@@H]1CCC[C@H]1O)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 301846822 MZYBBSHXKLSBQQ-TVQRCGJNSA-N 321.333 1.523 10 10 DDCE C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@H]1CO 189559080 ZUWMEHMOFGHJJI-MNOVXSKESA-N 315.464 1.895 10 10 DDCE COc1ccc(O)c([C@H](C)NCC2CCS(=O)(=O)CC2)c1 182424446 IQBPCWUQVWRUNL-NSHDSACASA-N 313.419 1.876 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(I)c1 95724052 AEEZSHAYNZPYMD-UHFFFAOYSA-N 313.116 1.368 10 10 DDCE C[C@H](N)c1ccc(N2CCO[C@H](CO)C2)cc1Br 235511643 BZWLQSSQUCRIOB-ONGXEEELSA-N 315.211 1.666 10 10 DDCE COc1cc(O)c(CN2CC[C@@]3(CNC(=O)C3)C2)cc1OC 278793102 PBBKPOARYMOHPD-MRXNPFEDSA-N 306.362 1.121 10 10 DDCE CC(=O)C(=O)COC(=O)C[C@H](c1ccccc1)N1CCOC1=O 808513622 HUGXHWGCGSGCGQ-CYBMUJFWSA-N 319.313 1.271 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NCc2ccc(N)cc2)C1 719100623 KWZGBSQGPHACTD-KGLIPLIRSA-N 307.394 1.339 10 10 DDCE Cc1nc(N)sc1S(=O)(=O)N(C)Cc1ccccc1O 722273234 AJKPTTFNIBRBMO-UHFFFAOYSA-N 313.404 1.560 10 10 DDCE Cn1ncc(/C=C2\OCCn3c2nc(Br)c3C=O)n1 901573997 DEYIKCSHQOLNHX-WTKPLQERSA-N 324.138 1.115 10 10 DDCE C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCO1 906385778 SNBBYRIFVVDYPC-RHSMWYFYSA-N 318.417 1.955 10 10 DDCE CN(C)c1ccc(CN(C(=O)[C@@H](O)C(C)(C)O)C2CC2)cc1 900124420 LFSJCJRRCFJKGB-OAHLLOKOSA-N 306.406 1.375 10 10 DDCE C[C@@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CN2CCC1CC2 912375354 FWBXCFGMDFDLLZ-MAVJXHJTSA-N 302.374 1.712 10 10 DDCE CC(=O)C(=O)COC(=O)C1=Cc2ccccc2O[C@@H]1C(F)F 924220165 CPWMKWZWFVIKKL-ZDUSSCGKSA-N 310.252 1.797 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1COC(=O)N1 840557188 ZLCHRMZJBBIJLP-BXUZGUMPSA-N 305.378 1.217 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cc(C)[nH]n3)C2)cc1 855229179 IIIRQVHSRKTSIS-LBPRGKRZSA-N 300.362 1.735 10 10 DDCE C[C@@H]1[C@H](NC/C=C\c2ccc(N(C)C)cc2)CCS1(=O)=O 858281548 UBMOHZUUBUFHNA-WSXGPOFGSA-N 308.447 1.931 10 10 DDCE CCNC(=O)CCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855231343 VQMXVQAMPIZHGE-CYBMUJFWSA-N 319.405 1.306 10 10 DDCE COc1cc(C)nc(/C=C2/SC(=S)N(CC(N)=O)C2=O)c1 776725760 FEJSPGOUJKXTPH-BJMVGYQFSA-N 323.399 1.085 10 10 DDCE CS(=O)(=O)[C@H]1C[C@H](NCc2cc(Cl)c(F)cc2O)C1 895689127 UWVISWRUSDVLQY-KYZUINATSA-N 307.774 1.850 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCc2nnc3n2CCC3)cc1 1136102564 XOWUJVSVOUVBEF-UHFFFAOYSA-N 313.321 1.317 10 10 DDCE CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2nnnn2C)c1O 1308133984 GHEZLLRZPPHLLC-ZETCQYMHSA-N 309.757 1.623 10 10 DDCE COC(=O)c1sccc1C(=O)NCc1c(O)cccc1O 1178916929 FCLPDIMCDLDVCP-UHFFFAOYSA-N 307.327 1.876 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@H]2COC[C@@H]2O)c(Br)c1 709335001 XBNGPWFAGKJVJL-HJIKLVIJSA-N 315.211 1.665 10 10 DDCE CC[C@H](CNC(=O)C(C)C)NC(=O)c1cc(OC)nc(OC)c1 1285036866 HVMCMBIFFIOGSR-GFCCVEGCSA-N 323.393 1.379 10 10 DDCE COc1ncc(S(=O)(=O)NCC2(CN=[N+]=[N-])CC2)s1 2117724098 IHKLRHDTVILGSH-UHFFFAOYSA-N 303.369 1.521 10 10 DDCE Cn1cnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c1 1457053321 GMODNTHIAJRIEE-UHFFFAOYSA-N 303.343 1.976 10 10 DDCE O=C1C[C@H](CNC(=O)NCc2c(O)ccc3c2CCCC3)CN1 1478821363 XZOKJCWYGHGWLL-NSHDSACASA-N 317.389 1.206 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCN1C=O 1540567553 QCBZMDRWMCBVOQ-QGZVFWFLSA-N 315.417 1.866 10 10 DDCE Cc1cc(C(=O)NCc2c(O)cccc2O)c(N)c([N+](=O)[O-])c1 1635847976 YIOBVUUKQJMAOS-UHFFFAOYSA-N 317.301 1.827 10 10 DDCE O=C(NCc1cccc(O)c1O)[C@H]1COc2ccc(O)cc2O1 1644711291 WGJKAWGTTOQVDU-CQSZACIVSA-N 317.297 1.260 10 10 DDCE COc1cccc(C(=O)NCc2cc(O)ccc2O)c1[N+](=O)[O-] 1644753743 HTVUGJIMIYSANT-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE CS(=O)(=O)c1ccnc(NCc2cccc(Cl)c2O)n1 1655941076 WTNFLMNPMHSPHE-UHFFFAOYSA-N 313.766 1.851 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ncn(Cc2ccccc2)n1 1597479609 IUOMXXPSGDNKMF-UHFFFAOYSA-N 324.340 1.919 10 10 DDCE CNCc1ccc(N(C)C(C)(C)C(N)=O)c(Br)c1 1915498962 AHGSTMXWGLJKCS-UHFFFAOYSA-N 314.227 1.869 10 10 DDCE NCc1ccc(N2C[C@H](O)[C@@H](F)C2)c(F)c1Br 1944242248 NJCYVYMWQBYHII-CBAPKCEASA-N 307.138 1.566 10 10 DDCE CCS(=O)(=O)N1CCN(c2ccc(CN)cc2Cl)CC1 2143490831 IXCMSPBKWBYLOD-UHFFFAOYSA-N 317.842 1.270 10 10 DDCE NCCO[C@H]1CCN(Cc2cc(Br)ccc2O)C1 1972826127 DVSITHXHZSUHKE-LBPRGKRZSA-N 315.211 1.704 10 10 DDCE CCN[C@H](C)c1ccc(N2CCS(=O)(=O)CC2)c(F)c1 36162051 PIRVDSHLLCDLBG-LLVKDONJSA-N 300.399 1.731 10 10 DDCE C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(F)c1 2170278526 TYWDYAGXJSVTNI-DCAQKATOSA-N 300.399 1.857 10 10 DDCE C[C@H](F)CS(=O)(=O)N1CCN(c2ccc(N)cc2)CC1 2177553718 JDMMQIRNFROPSW-NSHDSACASA-N 301.387 1.079 10 10 DDCE CS(=O)(=O)N1CCC(CN2CCC[C@H]2CN=[N+]=[N-])CC1 2179619183 PSRORYVOUKOUML-LBPRGKRZSA-N 301.416 1.433 10 10 DDCE Oc1cc(Br)ccc1CN1C[C@@H](O)CC12CNC2 2066533824 LWFRNCQEGIDNMZ-NSHDSACASA-N 313.195 1.063 10 10 DDCE O=S1(=O)CC[C@H]2CN(Cc3c(O)cccc3Cl)C[C@@H]21 2088814991 NCBZIKPACBOIOZ-ZANVPECISA-N 301.795 1.665 10 10 DDCE CO[C@@H]1CNCC[C@@H]1C(=O)NCc1cnc(SC)s1 2269202280 RLKPECZYPOYSFE-VHSXEESVSA-N 301.437 1.106 10 10 DDCE CN(C)S(=O)(=O)[C@H]1CCN(c2ccc(CN)cc2Cl)C1 2279256087 LXMNRRAEOKOMIR-NSHDSACASA-N 317.842 1.269 10 10 DDCE CN(C)S(=O)(=O)[C@@H]1CCN(c2ccc(CN)cc2Cl)C1 2279256086 LXMNRRAEOKOMIR-LLVKDONJSA-N 317.842 1.269 10 10 DDCE CSc1ncc(CN=c2cc(C3CC3)nc(NN)[nH]2)s1 2284711867 LAQLSMGSUMEUNV-UHFFFAOYSA-N 308.436 1.852 10 10 DDCE CC[C@@H](CO)NC(=O)C=Cc1ccc(N2CCOCC2)cc1 2310585188 OUVRSWGCDODKFW-HNNXBMFYSA-N 304.390 1.424 10 10 DDCE COC(=O)CC[C@@H]1C[C@@H](N)CN(c2ccc3c(c2)OCO3)C1 108216624 RMIIWTHHXYDSBA-VXGBXAGGSA-N 306.362 1.522 10 10 DDCE O=C(COC[C@@H]1CCOC1)NCc1c(O)ccc2c1CCCC2 174513566 WUTZIAAEDPOJKI-CYBMUJFWSA-N 319.401 1.940 10 10 DDCE CCN1CCN(c2cc3c(cc2Cl)[C@H](NC)C(=O)N3)CC1 118704922 HSLZBRWGXKMWHW-AWEZNQCLSA-N 308.813 1.695 10 10 DDCE C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@H](C(N)=O)O1 120307665 VPNXEXCYZSYXIC-QMTHXVAHSA-N 322.405 1.470 10 10 DDCE NC(=O)CN(CCOCC(F)(F)F)Cc1ccc(N)cc1 49311286 LJZGTODXLLXMGT-UHFFFAOYSA-N 305.300 1.135 10 10 DDCE CO[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@@H]1CCOC1 611658196 RWMFLZUXXAAIMU-WBMJQRKESA-N 320.389 1.530 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCO[C@]3(CCOC3)C2)c1O 278505812 OWQZKZPSQLTXKG-OAHLLOKOSA-N 324.333 1.300 10 10 DDCE CN(C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc2c(c1)OCO2 801526003 VXRBCZSJDLJJGX-NSHDSACASA-N 312.391 1.133 10 10 DDCE CC(=O)C(=O)COC(=O)c1nnn(Cc2ccc(F)cc2)c1C 808543514 WTAUNVLDKKJBIK-UHFFFAOYSA-N 319.292 1.089 10 10 DDCE C[C@@H](N[C@H]1CCCNC1=O)c1ccc(N2CCOCC2)cc1 296419332 LHBGLLBUSFDDTH-CJNGLKHVSA-N 303.406 1.452 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(C)n(Cc2ccncc2)c1C 808536859 PKBWXHJEPVXDAU-UHFFFAOYSA-N 314.341 1.863 10 10 DDCE CNC(=O)[C@@H]1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 817124010 DBMZDARYJWDYGJ-SECBINFHSA-N 309.322 1.184 10 10 DDCE Cc1cc(CN2CCC[C@@H]2CS(N)(=O)=O)ccc1N(C)C 815070668 XTYARQYLUPEZER-CQSZACIVSA-N 311.451 1.314 10 10 DDCE CN1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 729281758 CZEUJGALRRIIGE-MRXNPFEDSA-N 317.433 1.433 10 10 DDCE COc1ccc(N2CCN(C[C@@](C)(O)C(C)=O)CC2)cc1F 828030139 AQJDGLLHBCSCLD-MRXNPFEDSA-N 310.369 1.296 10 10 DDCE CN(C)c1ccc(/C=C/CNCC2(S(C)(=O)=O)CC2)cc1 835051458 GCSYYSMPABVAKV-SNAWJCMRSA-N 308.447 1.933 10 10 DDCE C[C@H](O)[C@@H]1CN(Cc2cccc(Br)c2O)CCO1 840977598 LCLISIGVBUEZSS-CABZTGNLSA-N 316.195 1.736 10 10 DDCE Cn1cc(N2CCC[C@H](NC(=O)c3cc(O)cs3)C2)cn1 743638227 QKYCTFFDGHZPIE-JTQLQIEISA-N 306.391 1.586 10 10 DDCE CC[C@@]1(C)NC(=O)N([C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O 849356916 HXSNSYOLSDFULN-CXAGYDPISA-N 317.389 1.994 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C3CCN(C)CC3)C2)cc1 855231350 LCMLOSKMHFVEJD-HNNXBMFYSA-N 317.433 1.732 10 10 DDCE O=C(C[C@@H]1CCCC(=O)N1)NCc1ccc2cccnc2c1O 862026696 XIYDOSYUJCJIJY-ZDUSSCGKSA-N 313.357 1.615 10 10 DDCE Cc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)nn1 866797804 VRAJWCMOYXONLV-UHFFFAOYSA-N 320.418 1.638 10 10 DDCE C[C@@H](NS(=O)(=O)c1cnc2n1CCC2)c1ccccc1O 867834715 KTIDYFCXGIRWAA-SNVBAGLBSA-N 307.375 1.574 10 10 DDCE COCc1cc(NC(=O)NCc2cccc(OC)c2O)ncn1 769231480 ZXRNLJZGTXLEDC-UHFFFAOYSA-N 318.333 1.659 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)C2CN([C@@H]3CCOC3)C2)c1 896162092 AERLQLNCXZZWFG-DGCLKSJQSA-N 320.389 1.299 10 10 DDCE CC(C)(C)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1O 1137882446 UHRGSJBCZAYPJP-DOMZBBRYSA-N 307.390 1.896 10 10 DDCE Cc1ccc(O)c(CNC[C@H]2CCCCN2S(C)(=O)=O)c1 796514513 YYKWDFNIDZVCLR-CQSZACIVSA-N 312.435 1.604 10 10 DDCE CC(=O)N(CC(=O)NCc1ccc(O)c(O)c1)c1ccccc1 1150378702 UJINMCFRXZDJBR-UHFFFAOYSA-N 314.341 1.767 10 10 DDCE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961043264 PAWCSXVHLRYKDO-DDHJBXDOSA-N 312.410 1.801 10 10 DDCE COc1cccc(C[C@@H](O)C(=O)NCc2ccc(O)cc2O)c1 1162278484 IVDWOAHBJZPDLU-MRXNPFEDSA-N 317.341 1.326 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2[nH]nnc2C)cc1C 1317616680 VZDRDPXPEUESEJ-UHFFFAOYSA-N 317.393 1.292 10 10 DDCE C[C@H](NC(=O)C(=O)NC[C@H]1C[C@H]1C)c1ccc(N(C)C)cc1 1327678023 MRWYTNDGIORDFR-MBNYWOFBSA-N 303.406 1.702 10 10 DDCE Cc1ccc(O)c([C@@H](C)NCCNS(=O)(=O)C(F)F)c1 1964516141 SWVQTNSWZAQPKX-SECBINFHSA-N 308.350 1.493 10 10 DDCE Oc1c(Br)cc(Cl)cc1CN[C@@H]1COC[C@@H]1O 708156283 HWCPMZMPRLDRPO-ZJUUUORDSA-N 322.586 1.657 10 10 DDCE CS(=O)(=O)c1cccnc1C(=O)NCc1ccccc1O 1294925654 SSPCNEWMIYTMOS-UHFFFAOYSA-N 306.343 1.121 10 10 DDCE O=C(/C=C/c1cncc(F)c1)N1CCCc2c(O)ncnc21 1535579987 YNVYSOLPJZWORT-ONEGZZNKSA-N 300.293 1.709 10 10 DDCE CCCCN(CC(N)=O)C(=O)c1ccc(N=NC(N)=O)cc1 1541081592 FELCZCYFWCXNIP-UHFFFAOYSA-N 305.338 1.577 10 10 DDCE CCN1C[C@@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1=O 1639904239 QCHWIWNEWJIRRR-SNVBAGLBSA-N 317.349 1.447 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@H](n2cc(Cl)cn2)C1 1570046091 MFVJYXGQLFRLHA-LBPRGKRZSA-N 321.764 1.964 10 10 DDCE C[C@@H]1C(=O)NC(=O)CN1c1ccc(CNC2CC2)cc1Cl 164133849 PFVBFGBJDQBRAE-SECBINFHSA-N 307.781 1.443 10 10 DDCE O=C(CCN1C(=O)CSC1=S)NCCc1ccccc1 1865764951 IYMWAUMOONMMQH-UHFFFAOYSA-N 308.428 1.596 10 10 DDCE Cc1c(OCCC(=O)O)c(=O)ccn1Cc1ccc(N)cc1 1857920057 LYHQKMKYGFTISS-UHFFFAOYSA-N 302.330 1.641 10 10 DDCE CN1C(C)(C)[C@@H](NCc2c(O)cccc2Cl)CS1(=O)=O 2151080195 QGDLVHWVCHKIDG-LBPRGKRZSA-N 318.826 1.558 10 10 DDCE C[C@@]1(CO)C[C@H](O)CN1c1ccc(CN)cc1Br 698199924 QUSJXYDGEYBNAM-GWCFXTLKSA-N 315.211 1.230 10 10 DDCE COCCOCCOCc1noc(-c2sccc2O)n1 2184081256 BULYGYAISIZYLX-UHFFFAOYSA-N 300.336 1.683 10 10 DDCE NC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(Br)cc1O 2053777759 RONSFISSWXOJPX-MNOVXSKESA-N 313.195 1.898 10 10 DDCE COC(=O)CCN1C(=O)C(=Cc2cccnc2)SC1=S 2297311028 RPTGGMMQNHEJNJ-UHFFFAOYSA-N 308.384 1.846 10 10 DDCE Cc1ccc(CN(C)C[C@H](O)C(=O)O)c(O)c1Br 2327593800 HLQBTQMDMKYMPT-VIFPVBQESA-N 318.167 1.340 10 10 DDCE CC(=O)N(C(=O)C(=O)NC1CCCCC1)c1ccc(N)cc1 170318137 KBEBHLARXHYDLK-UHFFFAOYSA-N 303.362 1.597 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)C(F)(F)F 121033673 DZCTZVHURUXFJW-CQSZACIVSA-N 318.339 1.878 10 10 DDCE CN(C)c1ccc([C@@H]2NC[C@@H](CSc3nnco3)O2)cc1 75330537 LWMCSHMWRMHILA-QWHCGFSZSA-N 306.391 1.915 10 10 DDCE CCCc1nc(NN(C)S(=O)(=O)C(C)C)sc1C(=O)O 2365340040 UKQJTZBIDBJWLL-UHFFFAOYSA-N 321.424 1.791 10 10 DDCE C[C@H](N)c1nc(C(=O)Nc2ccc(O)cc2C(=O)O)cs1 90952523 QSRLAUWAJDGYSY-LURJTMIESA-N 307.331 1.819 10 10 DDCE COc1ccc(N2CCN(C(=O)c3ncc(C)o3)CC2)cc1 291648040 AGVXOWAPBNDDRT-UHFFFAOYSA-N 301.346 1.954 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@](C)(O)CO 801976801 IZBJTPDYRVZFDL-HNNXBMFYSA-N 308.403 1.629 10 10 DDCE COc1ccc(CNC(=O)Cc2cn(C)nc2Cl)c(O)c1 816550461 RUUHDVWPKHPSCP-UHFFFAOYSA-N 309.753 1.647 10 10 DDCE O=C1CC[C@@H](C(=O)NCCCSc2nccs2)CCN1 815590644 DHYXMEDRORWJJW-SNVBAGLBSA-N 313.448 1.658 10 10 DDCE CN1CCN(c2ccc(CN3C[C@@H](N)C(C)(C)C3)cc2)CC1 903987194 YEPVGOOCQHPXRN-QGZVFWFLSA-N 302.466 1.608 10 10 DDCE C[C@@H]1CN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)CCN1 588536742 OEGGVNAZJSGQST-IJVDHGTGSA-N 315.417 1.357 10 10 DDCE COc1ccc(N2CC[C@H](NS(=O)(=O)CCCF)C2)cc1 849416932 ZGIKJCSABLDLSK-LBPRGKRZSA-N 316.398 1.553 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNC[C@H](C(=O)O)C2CCC2)c1O 854247892 JRJPXLSZZMGCFD-NSHDSACASA-N 324.333 1.900 10 10 DDCE COC(=O)CC1CC(NC(=O)NCc2cc(C)ccc2O)C1 924937070 JDWLAQKFMRUTEF-UHFFFAOYSA-N 306.362 1.842 10 10 DDCE CCN1CC[C@@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O 925095354 HSYUYQOOYCUWCE-CYBMUJFWSA-N 303.362 1.251 10 10 DDCE COC(=O)CCNC(=O)CCN[C@H](C)c1cc(F)ccc1O 858540824 BEWVNJSKLHIWEO-SNVBAGLBSA-N 312.341 1.251 10 10 DDCE Cc1ccc(C(=O)OCc2nnnn2C(C)(C)C)c(O)c1O 766198170 BFBXVKRICHVXOO-UHFFFAOYSA-N 306.322 1.505 10 10 DDCE C[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(O)c(O)c1 778920081 VJFFODIRZJDRPA-VIFPVBQESA-N 304.302 1.126 10 10 DDCE Cc1cc(CN(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)no1 1118937806 NJGBIEAVCNRCMP-UHFFFAOYSA-N 315.329 1.189 10 10 DDCE Nc1ccc(OCCC(=O)N[C@@H]2CCCC23OCCO3)cc1 1876438642 ZBAVTVWEIAMVMD-CQSZACIVSA-N 306.362 1.450 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)Cn1nccc1N 1155704962 TXWBPABOZHALKT-UHFFFAOYSA-N 302.378 2.000 10 10 DDCE COC(OC)[C@@H](C)N(C)S(=O)(=O)Cc1ccc(N)cc1 714610873 OMUMTODMSKTZBK-SNVBAGLBSA-N 302.396 1.038 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@](C)(F)C1 1330997617 SOCHWJRIRLSEOB-MRXNPFEDSA-N 308.353 1.701 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)N2CC[C@]3(C2)CC3(F)F)cc1 1261524255 UVMJIJYZBUZVNT-OAHLLOKOSA-N 323.343 1.185 10 10 DDCE COc1cc(CCNC(=O)Cc2ccc(O)c(O)c2)ccc1O 1465978432 GEDXQNSDMPYJDN-UHFFFAOYSA-N 317.341 1.713 10 10 DDCE c1cc(CNCc2ccc3c(c2)CCO3)cc(-n2cncn2)n1 1461686267 WEXUCECOXZVXCX-UHFFFAOYSA-N 307.357 1.887 10 10 DDCE C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CN(C)CCO1 1545547799 VEELLHOIEJNKTE-GWCFXTLKSA-N 319.365 1.298 10 10 DDCE Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1c(O)cccc1F 1558454424 GPLOVNGKDBFNEW-UHFFFAOYSA-N 306.253 1.347 10 10 DDCE COC(=O)c1ccc(/C=C\C(=O)NCc2ccc(O)cc2O)o1 1630306391 ALTGAQRFLNZZRN-ALCCZGGFSA-N 317.297 1.807 10 10 DDCE COC(=O)[C@]12CCC[C@H]1CN(C(=O)Cc1ccc(O)c(O)c1)C2 1633375142 DTEYWAGYIFVJDW-SJCJKPOMSA-N 319.357 1.442 10 10 DDCE CC(C)(C)OC(=O)NOCC(=O)NCc1cc(O)ccc1O 1644753515 BKFSEYXNZOFWOJ-UHFFFAOYSA-N 312.322 1.170 10 10 DDCE CC(C)O[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@@H](N=[N+]=[N-])C1 1912164747 YHVWNCAMDRYLKK-IJLUTSLNSA-N 302.400 1.352 10 10 DDCE CC1CCN(c2ccc(CNC(=O)[C@H]3C[C@H]3C(N)=O)cc2)CC1 1585544795 KIYPSNGMMZQJJN-CVEARBPZSA-N 315.417 1.661 10 10 DDCE Cc1c(C(=O)NCc2cc(O)ccc2O)cnn1-c1ccccn1 1593872692 AWRYLLMFDHGDFW-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC(=O)N(C)C1 162952823 ZMIMPRKIPUBRPV-AWEZNQCLSA-N 319.405 1.935 10 10 DDCE O=[N+]([O-])c1cc2c(cc1N1CCC[C@H]1C1OCCO1)OCCO2 2144183517 DQAQSGKZNNPIFG-JTQLQIEISA-N 322.317 1.708 10 10 DDCE CCCNCc1ccc(N2CC(S(C)(=O)=O)C2)c(F)c1 2152286311 LQRWEHSPJXMTGJ-UHFFFAOYSA-N 300.399 1.559 10 10 DDCE COc1ccc(S(=O)(=O)NCCN=[N+]=[N-])cc1[N+](=O)[O-] 42012781 ZDNVHJWSGPWGOC-UHFFFAOYSA-N 301.284 1.192 10 10 DDCE C[C@H](c1ccc(F)cc1O)n1ncc(S(C)(=O)=O)c1O 2070253293 SKRRELHZWVWTGZ-SSDOTTSWSA-N 300.311 1.446 10 10 DDCE Cc1cc(O)nc(=NCc2cc(Br)ccc2O)[nH]1 2072656706 SXCHVVDXMLNKGL-UHFFFAOYSA-N 310.151 1.993 10 10 DDCE CS(=O)(=O)c1cscc1COc1cc(F)cnc1N 2272870617 WEXGXEZBCDTIIP-UHFFFAOYSA-N 302.352 1.847 10 10 DDCE COCC[C@@]1(CNCc2cnc(SC)s2)CCNC1 2269319745 LNPMLAJMXZNKOS-ZDUSSCGKSA-N 301.481 1.971 10 10 DDCE Cc1ccc(CN[C@@H](C)CC(N)=O)c(O)c1Br 2307472492 DVDRBGHWFWMQBR-QMMMGPOBSA-N 301.184 1.817 10 10 DDCE CCOC[C@H](O)CNCc1ccc(C)c(Br)c1O 2327799800 AOBWFFQSLWAWJF-LLVKDONJSA-N 318.211 1.950 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)NC(=O)c1ccc(N)cc1 170245385 YGULIUIRDIJCES-SNVBAGLBSA-N 314.341 1.815 10 10 DDCE Cn1cc(/C=C/C(=O)N2CC[C@H](C(N)=O)c3ccccc32)cn1 119598065 ALIFWWWLOORFLM-UZYOAWRESA-N 310.357 1.439 10 10 DDCE COc1ccc(O)c([C@H](C)NC[C@@H](O)CN2CCCC2=O)c1 182391188 AHHOFCZNCPVKMC-NWDGAFQWSA-N 308.378 1.035 10 10 DDCE CC(C)S(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1 70286490 SAIXLIRJZRDEGY-UHFFFAOYSA-N 312.435 1.693 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NC(C2CC2)C2CC2)cc1 70490778 UUSHUXFRXKHVRY-UHFFFAOYSA-N 310.419 1.756 10 10 DDCE [N-]=[N+]=NCCN[C@]1(C(=O)O)CCS(=O)(=O)c2ccccc21 147705415 GAWSELDBLNVINA-GFCCVEGCSA-N 310.335 1.044 10 10 DDCE O=C1N[C@H](c2ccc(N3CCCCC3)cc2)N2CCOC[C@H]12 93885503 QFNOPXDFEBYSQV-CVEARBPZSA-N 301.390 1.506 10 10 DDCE CCN(CC)CCS(=O)(=O)NCc1ccc(N(C)C)cc1 810036203 WJNTVWVMIVTKAA-UHFFFAOYSA-N 313.467 1.514 10 10 DDCE CN(C)c1ccc(CNC(=O)NCC2(C(=O)O)CCC2)cc1F 737954845 HCZOJXLHBUFJCE-UHFFFAOYSA-N 323.368 1.946 10 10 DDCE C[C@H](CC(=O)NCc1ccc2c(c1)CCCN2C)NC(N)=O 847405378 IKGZGWPSOXNNPB-LLVKDONJSA-N 304.394 1.132 10 10 DDCE CCO[C@@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@H]1CN 844903890 RDCCSPULSYHHJP-NOZJJQNGSA-N 302.777 1.980 10 10 DDCE CN(C)c1cc(F)c(CNC[C@@H](O)c2ccnn2C)cc1F 922970452 OFQSRYRCTAOJBC-OAHLLOKOSA-N 310.348 1.588 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CCO[C@]2(CCSC2)C1 844146265 BEFZITFEHHSDOU-CQSZACIVSA-N 313.350 1.585 10 10 DDCE CCOC(=O)[C@H](CC(=O)NCc1c(O)cccc1F)C(C)=O 928706988 ZIMNTUYDBMPVQY-SNVBAGLBSA-N 311.309 1.306 10 10 DDCE Nc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@H]2C(F)(F)F)cc1 927865955 BNZAZHOKJLMXKF-OIBJUYFYSA-N 301.268 1.522 10 10 DDCE CCON(CC)C(=O)CNC(=O)NCc1ccc(N(C)C)cc1 858713898 KOTGMFTUOMJZMC-UHFFFAOYSA-N 322.409 1.352 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cnc3n2CCOC3)cc1 854271355 DKLSLIZTHIDJMX-UHFFFAOYSA-N 300.362 1.409 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)cc1 861777156 QHVBWJNECMKNPQ-QLFBSQMISA-N 315.417 1.480 10 10 DDCE COC(=O)C1CC(N2C(=O)CN(Cc3ccccc3O)C2=O)C1 865324364 WMLAADWJAMUDOP-UHFFFAOYSA-N 318.329 1.108 10 10 DDCE CCOC(=O)C1=CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 862879189 RITSVMJYAHMGNQ-FLUIGGAXSA-N 317.341 1.879 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN[C@H]1CCn2nnnc2C1 1875667430 SQCYFFWRYQOWBJ-VIFPVBQESA-N 314.176 1.790 10 10 DDCE CCN(CC)c1ccc(CN2CCn3c(O)nnc3C2)cc1F 776520498 MXLPDGUSIRJFSR-UHFFFAOYSA-N 319.384 1.985 10 10 DDCE CN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H]1COC[C@H]1O 899358626 GICVEFREOUMKOX-LDYMZIIASA-N 309.343 1.144 10 10 DDCE COC(=O)C[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 899183190 GHUFKTBLHJICSG-SSDOTTSWSA-N 309.343 1.994 10 10 DDCE COc1ccc(Br)c(CNCC(=O)N(C)C)c1O 1964024774 YPRYGUKXLUNSHX-UHFFFAOYSA-N 317.183 1.341 10 10 DDCE COc1cccc(O)c1CN(C)CC(C)(C)S(C)(=O)=O 769519063 IISCZFQFSPEEFO-UHFFFAOYSA-N 301.408 1.656 10 10 DDCE CC(C)(C)N1CC[C@](F)(C(=O)NCc2cccc(O)c2O)C1 1348047191 MQQKHLLJLAPWEX-MRXNPFEDSA-N 310.369 1.927 10 10 DDCE COC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1ccccn1 1298488604 CEMQHOMYJSVZBN-GFCCVEGCSA-N 302.286 1.137 10 10 DDCE Cc1cn2nc(C(=O)N3Cc4cccc(O)c4C3)cc2c(=O)[nH]1 1471355650 PGHJZRZVKISBLU-UHFFFAOYSA-N 310.313 1.193 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC12OCCO2 1556157701 HYCNKPJHZUYFHM-YPMHNXCESA-N 321.373 1.688 10 10 DDCE COc1ccc(N(C)Cc2nnc3c(=O)[nH]ccn23)cc1Cl 1642153140 HCOBHEVLCQLBJI-UHFFFAOYSA-N 319.752 1.716 10 10 DDCE C[C@]1(CO)C[C@@H](O)CN1C(=O)c1cc2cc(O)c(O)cc2s1 1585124699 DWCAMYROXJFWMP-RFAUZJTJSA-N 323.370 1.270 10 10 DDCE COCC1(O)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 1598408184 SEFOERSYDXXHTE-UHFFFAOYSA-N 320.349 1.463 10 10 DDCE COc1ccc(CNCCN(CCO)C(=O)[C@H]2C[C@H]2C)cc1C 1672576137 PILMXTKKEJLSMN-CJNGLKHVSA-N 320.433 1.570 10 10 DDCE CC(C)C(=O)N1CCC(NC(=O)c2cc(O)c(O)c(O)c2)CC1 169859834 ZCLGGAJRFSWQEX-UHFFFAOYSA-N 322.361 1.180 10 10 DDCE O=C(N[C@H]1CCCC2(C1)OCCO2)c1cc(O)c(O)c(O)c1 2132398884 AMMVLKHBFOAWHJ-JTQLQIEISA-N 309.318 1.219 10 10 DDCE OC[C@H]1CO[C@H](CNCc2ccc(Br)cc2O)C1 1967895179 KTUSUHOXYJXHPR-CABZTGNLSA-N 316.195 1.642 10 10 DDCE COc1cc(Cl)cc(CN[C@@H](C)[C@H]2COCCO2)c1O 1967897478 KODHLYHKWDGJBN-TVQRCGJNSA-N 301.770 1.948 10 10 DDCE CCS(=O)(=O)N(C)CCNCc1c(O)cccc1Cl 1926341496 JRMBZVUCKKWKAD-UHFFFAOYSA-N 306.815 1.417 10 10 DDCE CN1CCNC[C@H]1c1cc(I)ccc1O 1951855385 MOVKBEMCSIOWCG-JTQLQIEISA-N 318.158 1.573 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](F)[C@@H](N)Cc1ccc(O)c(O)c1 1952903060 ZWURNQKYUXDYFQ-MNOVXSKESA-N 314.357 1.830 10 10 DDCE CCOC[C@@H](O)CNCc1ccc(Br)cc1O 691427849 HXWKZBHTLWDFMN-NSHDSACASA-N 304.184 1.642 10 10 DDCE COCCNCc1ccc(N(C)CC[S@@](C)=O)cc1Cl 399077028 JQLYMKCWKGAZES-HXUWFJFHSA-N 318.870 1.891 10 10 DDCE CC[C@@H](NC(=O)c1cnn2c(O)cc(C)nc12)C1CCOCC1 2063103822 SPGPIWRFHOKCER-CYBMUJFWSA-N 318.377 1.678 10 10 DDCE O=C(O)c1cc(O)ccc1NS(=O)(=O)[C@H]1CCC[C@@H]1F 2175559184 JUNCGZATFHBVDS-ONGXEEELSA-N 303.311 1.723 10 10 DDCE C[C@@H](CO)CS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 2183510774 RKCRORVHNBQTKJ-LBPRGKRZSA-N 300.424 1.143 10 10 DDCE COC(=O)[C@H](C)CS(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2183615078 BNKHNMKCFPPBBY-NXEZZACHSA-N 304.372 1.290 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCN1c1ccc(CO)c(Cl)c1 2094923493 LEBHBMFWHXGMHA-LBPRGKRZSA-N 303.811 1.846 10 10 DDCE C[C@@H]1CC[C@H](S(C)(=O)=O)CN1c1ccc(CO)cc1F 2279422959 KEHJAMQLPSOULR-PWSUYJOCSA-N 301.383 1.720 10 10 DDCE Cn1nccc(NCc2cc(Br)ccc2O)c1=O 1171175940 HHENLQCJNIIQQG-UHFFFAOYSA-N 310.151 1.861 10 10 DDCE CNC(=O)[C@@H]1CCCCN1C(=O)C=Cc1ccc(O)c(O)c1 2307989612 FQWASGDLEKOYTB-LBPRGKRZSA-N 304.346 1.238 10 10 DDCE Cc1ccc(CNC(=O)[C@H]2C[C@@H]2CN)c(O)c1Br 2327583697 ODMAWNAQHNMSEU-ZJUUUORDSA-N 313.195 1.674 10 10 DDCE CC1(C)CN(Cc2cc([N+](=O)[O-])ccc2O)CCS1(=O)=O 176361857 IRLXARKZQVSWKZ-UHFFFAOYSA-N 314.363 1.309 10 10 DDCE COc1ccc(S(=O)(=O)NCc2ccc(N)cc2)cc1F 36288631 SNRNEYKDDDWIIL-UHFFFAOYSA-N 310.350 1.895 10 10 DDCE COc1ccc(N2CC[C@H](S(=O)(=O)C(F)F)C2)c(N)c1 2368545449 RUTYITIDDLVOIE-VIFPVBQESA-N 306.334 1.494 10 10 DDCE C[C@H]1CN(Cc2cc3c(cc2O)CCC3)CCS(=O)(=O)C1 191382766 WKNJEFWHVJCDIO-LBPRGKRZSA-N 309.431 1.747 10 10 DDCE CNC(=O)NC[C@@H]1CN(Cc2cc(C)c(C)cc2O)CCO1 529643454 PSPRFUBEZOWHIC-CQSZACIVSA-N 307.394 1.139 10 10 DDCE CC(=O)C(=O)COC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 808539026 OKKOIPYOFBFKOR-LLVKDONJSA-N 313.350 1.335 10 10 DDCE O=C(Cn1ccnc1)NCc1cc(Br)ccc1O 804734358 IVHNSNXSKNBPSS-UHFFFAOYSA-N 310.151 1.668 10 10 DDCE C[C@@H](N[C@H]1CCC(=O)N(C)C1=O)c1cc([N+](=O)[O-])ccc1O 818360774 CFJRTTWUMUCGDC-KCJUWKMLSA-N 307.306 1.098 10 10 DDCE O[C@@H](CNc1ccccc1OCC1CC1)CN1CCOCC1 819451186 LMHHGAHHYSRNDM-HNNXBMFYSA-N 306.406 1.580 10 10 DDCE O=C(O)[C@@H]1CC[C@H]1C(=O)NCCCSc1nccs1 901719562 DGKQXITVGMMJJK-RKDXNWHRSA-N 300.405 1.852 10 10 DDCE CN1CC[C@@H]2CN(c3ccc(/C=C\C(=O)O)cc3[N+](=O)[O-])C[C@@H]21 844216691 TUWZYFMSRMSSMX-FWQWQBSGSA-N 317.345 1.833 10 10 DDCE COc1ncncc1CNCc1ccc(N2CCOCC2)cc1 842668354 HXFBVJBHORTNQR-UHFFFAOYSA-N 314.389 1.612 10 10 DDCE CCC(=O)N1CC[C@H](NC(=O)NCc2c(O)cccc2F)C1 921485816 VJVIPUDNAIRSFC-JTQLQIEISA-N 309.341 1.341 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cn(C2CCOCC2)nn1 928706592 RHRDJNIAHIITBN-UHFFFAOYSA-N 320.324 1.404 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](O)CCSC)C2)cc1 855233787 MVAKNEUDCGSGPP-IUODEOHRSA-N 324.446 1.504 10 10 DDCE NCc1ccc2c(c1)CCCN2Cc1coc(S(N)(=O)=O)c1 852740944 LYOXKKBYMSNCFA-UHFFFAOYSA-N 321.402 1.339 10 10 DDCE CNC(=O)NC[C@H]1CN(Cc2ccc(N(C)C)cc2C)CCO1 862461651 LINLAHJSWCAXMA-INIZCTEOSA-N 320.437 1.191 10 10 DDCE CC(C)[C@H](C(=O)N1Cc2cccc(O)c2C1)N1CCCC1=O 871200526 FEZPHYVZQUXYOK-MRXNPFEDSA-N 302.374 1.881 10 10 DDCE COc1cc(NS(=O)(=O)c2cccc(C(=O)O)c2)ccc1O 797819891 VIBKWSKUGNCLTL-UHFFFAOYSA-N 323.326 1.900 10 10 DDCE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2cccc(O)c2O)C1 1963887641 HPTJOATZYGJBEU-ZYHUDNBSSA-N 307.346 1.711 10 10 DDCE NCc1ccc(N2CC[C@@]3(CCCS3(=O)=O)C2)cc1Cl 709555353 QYSJYTJFCUEXBK-AWEZNQCLSA-N 314.838 1.956 10 10 DDCE CN(C[C@H]1CCCOC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329797460 UJEXHUQDYSJREP-GFCCVEGCSA-N 318.373 1.119 10 10 DDCE [N-]=[N+]=NCCN[C@H](C(N)=O)c1ccc(Br)s1 85224378 ZQGRELIBOGTJDT-ZETCQYMHSA-N 304.173 1.937 10 10 DDCE C/C=C(\C)C(=O)N(C)C[C@@H](O)CNCc1ccc(OC)c(C)c1 1278742641 COQJQHSQLRRYRL-XNWJVHIKSA-N 320.433 1.879 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCC(F)(F)[C@H]1O 1468957907 SMDZNFFGDBYMRI-RNCFNFMXSA-N 301.289 1.305 10 10 DDCE COc1cccc(CNC(=O)c2nnc(-c3ccco3)o2)c1O 1545684128 KXUSGXFKBJLVLM-UHFFFAOYSA-N 315.285 1.974 10 10 DDCE O=C(CCc1cncnc1)NCc1ccc2cccnc2c1O 1639624863 NERJAMNDDAVZIV-UHFFFAOYSA-N 308.341 1.979 10 10 DDCE C[C@H]1CCCN(C[C@H](C)NC(=O)Cc2ccc(O)c(O)c2)C1 1597466998 JFSNZTAXTQYOFV-STQMWFEESA-N 306.406 1.877 10 10 DDCE CCc1nnc(N(C)Cc2ccccc2O)n1CC1(O)CC1 1764723082 QKGKXAVSEUUHAN-UHFFFAOYSA-N 302.378 1.707 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)CN2CCCC2)cc1C 1699431430 JNPJNDJAECLOSR-HNNXBMFYSA-N 319.449 1.694 10 10 DDCE COc1ccccc1NC(=O)CN1C(=O)[C@H](C)SC1=S 11635371 BLUNAPCEEQARJA-QMMMGPOBSA-N 310.400 1.883 10 10 DDCE C[C@H]1CCc2c(sc(NS(=O)(=O)C3CC3)c2C(N)=O)C1 1259270228 DKYJQEIQJNXEGZ-ZETCQYMHSA-N 314.432 1.876 10 10 DDCE Cc1c(OCCC(N)=O)c(=O)ccn1Cc1ccc(N)cc1 1857920144 PZAAAGOBLPDZOS-UHFFFAOYSA-N 301.346 1.041 10 10 DDCE NCc1ccc(N2Cc3ncnc(O)c3C2)cc1Br 2141180633 KOTFMCNSIIALBM-UHFFFAOYSA-N 321.178 1.924 10 10 DDCE NCc1ccc(N2CC[C@@](F)(CO)C2)c(Br)c1 1917067989 QVZSOFBLWNKFQB-LBPRGKRZSA-N 303.175 1.819 10 10 DDCE Cc1ccc(CNC2(CO)CN(C(=O)OC(C)(C)C)C2)c(O)c1 1994458211 OVAYXTLHNFAQPX-UHFFFAOYSA-N 322.405 1.772 10 10 DDCE Oc1c(F)cc(Br)cc1CN1C[C@@H]2C[C@H](C1)N2 2005598391 COVAIICRVYTGNK-AOOOYVTPSA-N 301.159 1.840 10 10 DDCE COc1cc(Cl)cc(CNC[C@@H]2C[C@H](O)CCO2)c1O 2154225786 FUWLNOLTHTUVQW-NEPJUHHUSA-N 301.770 1.684 10 10 DDCE C[S@](=O)CCC[S@@](=O)CCC(=O)Nc1ccc(N)cc1 319428645 JPDLQQMCWKBPOI-VQTJNVASSA-N 316.448 1.115 10 10 DDCE CO[C@@H]1CN(c2cc(Cl)c(CN)cc2F)[C@H]2COC[C@H]12 2177386940 CKZDUKRDKIYFDC-QCZZGDTMSA-N 300.761 1.788 10 10 DDCE CS(=O)(=O)N[C@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2177384641 BPWZPIWVUWMYTI-VIFPVBQESA-N 321.805 1.066 10 10 DDCE CN(C)C1[C@H]2CN(c3ccc(CN)cc3Br)C[C@H]12 395020750 MUOVNTLKLGXXNV-QWRGUYRKSA-N 310.239 1.904 10 10 DDCE COc1ccc(CNC(=O)[C@@H]2CCc3nc(C)cn3C2)c(O)c1 2062279975 JMPWGRARHNOEQE-CYBMUJFWSA-N 315.373 1.785 10 10 DDCE COc1ccc(O)c([C@H](C)n2cc(C(=O)NC3CC3)c(O)n2)c1 2070644767 BTWOSAWRVVPZKN-VIFPVBQESA-N 317.345 1.804 10 10 DDCE CN[C@@H](c1ccccc1O)[C@](C)(O)CS(=O)(=O)C(C)C 2170540653 VSRGMFGXPSYPEG-UONOGXRCSA-N 301.408 1.227 10 10 DDCE CCOC(=O)[C@](C)(CS(=O)(=O)C(C)C)NCCN=[N+]=[N-] 2170545096 KHNFYJNQBVUUHL-NSHDSACASA-N 306.388 1.031 10 10 DDCE CN(C[C@]1(O)CCOC1)c1ccc(CO)c(Br)c1 2066019315 TWABJJBHNAGAID-CYBMUJFWSA-N 316.195 1.529 10 10 DDCE NC1CCN(S(=O)(=O)Nc2ccc(O)cc2Cl)CC1 2103920993 OURBDZFQHPNMRE-UHFFFAOYSA-N 305.787 1.125 10 10 DDCE Oc1ccnc(CCNCc2cc(Br)ccc2O)n1 2106917464 QFSSCMORFFBDOJ-UHFFFAOYSA-N 324.178 1.983 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1CCC[C@H](O)[C@H]1O 2217641742 IPKLHCQQVGLGEW-MDZLAQPJSA-N 316.195 1.519 10 10 DDCE CCN=c1[nH]nc(C(=O)NCc2cnc(SC)s2)s1 2269319836 WNAFAYKOHLDTTP-UHFFFAOYSA-N 315.449 1.500 10 10 DDCE CCc1cc(=NC[C@H](O)c2ccc(O)c(O)c2)[nH]c(CC)n1 2297714357 PRLBIUNUABBMIL-AWEZNQCLSA-N 303.362 1.580 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCN4CCC[C@@H]4C3)cc2N1 177825329 RIJKVCGQNXRQPD-SNVBAGLBSA-N 318.333 1.210 10 10 DDCE CN(Cc1cnn(C)c1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 301603183 KWNLXRXUCMISLQ-UHFFFAOYSA-N 317.305 1.296 10 10 DDCE CN(C)c1cccc(C(=O)NCCN2C(=O)CSC2=S)c1 71500722 YLEKSYADISGXQC-UHFFFAOYSA-N 323.443 1.343 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NCc2ncnn2C)c1 76793614 MMXQFDYYPKEDRM-VIFPVBQESA-N 305.338 1.090 10 10 DDCE COc1ccc([C@H](C)NN(C)S(=O)(=O)C2CC2)c(O)c1 2365322280 ISWAFEHQNLNBDF-VIFPVBQESA-N 300.380 1.390 10 10 DDCE N[C@H]1CC[C@H]1S(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2363564782 KGCULJDKINZALR-WCBMZHEXSA-N 310.297 1.642 10 10 DDCE Cc1cc(O)c([C@@H]2COCCN2)cc1I 238489767 FOEHDBFFVCXMHW-JTQLQIEISA-N 319.142 1.966 10 10 DDCE CNCc1ccc(N2CCO[C@H](CO)C2)c(Br)c1 234453649 YGYINEOWGACYGE-NSHDSACASA-N 315.211 1.366 10 10 DDCE CC[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CCN1C[C@H](C)O 246553063 UABBIPDHRPORKI-XJKSGUPXSA-N 305.422 1.115 10 10 DDCE C[C@]1(Br)C[C@H]1C(=O)NCCc1ccc(O)c(O)c1 528857765 OELRWGFAGZXKLN-ZANVPECISA-N 314.179 1.930 10 10 DDCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@@H]1CCNC1 254985460 RFYHNQXEARNLEG-OMVNSRBRSA-N 301.390 1.015 10 10 DDCE COc1ccc(CNC(=O)[C@H]2CCCc3n[nH]cc32)c(O)c1 373696123 NLBBPGLSCSWWFC-LBPRGKRZSA-N 301.346 1.860 10 10 DDCE CN(C[C@@H]1CCCO1)C(=O)C(=O)NCc1ccc(N(C)C)cc1 283520505 OPMKNUTYKWXPCQ-HNNXBMFYSA-N 319.405 1.006 10 10 DDCE COC[C@@](C)(O)CCNC(=O)NCc1cc(Cl)ccc1O 845226817 DDDNNEAXCFETCI-AWEZNQCLSA-N 316.785 1.632 10 10 DDCE COc1cc(N2CCO[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OC 840387169 UGXPDLBBOZHOIN-YMTOWFKASA-N 312.322 1.198 10 10 DDCE CN(C)c1ccc(/C=C\CNCCS(=O)(=O)C2CC2)cc1 840967215 XVFJWWBICRFHFX-ARJAWSKDSA-N 308.447 1.933 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC[C@H](O)[C@H]2CCCO2)c1 858469781 SNUUYJPEMXCNME-NZVBXONLSA-N 309.362 1.369 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3CCNC3)C2)cc1 852843518 ADZBGTYDHBOCJG-UONOGXRCSA-N 303.406 1.390 10 10 DDCE C[C@H](NS(=O)(=O)c1ncn(C)c1Cl)c1ccccc1O 867834414 OAAYWBWTLFABPP-QMMMGPOBSA-N 315.782 1.819 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCC[C@H]3NCC[C@@H]32)cc1 866722877 ALTZMTZKAKXYNP-SJORKVTESA-N 316.449 1.195 10 10 DDCE Cc1ccc(C(=O)N[C@H](CO)Cc2cncs2)c(O)c1O 1149832882 LWXGVJHQSLCFKF-VIFPVBQESA-N 308.359 1.196 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3[C@@H]4COC[C@H]3C4)c(Br)cc21 1899636339 WLRVGXWUWPKMTR-KJNMHVQDSA-N 324.178 1.379 10 10 DDCE Nc1ncnc2cc(C(=O)NCc3cc(O)ccc3O)ccc12 1303225942 TYCCWZSCVIWYMV-UHFFFAOYSA-N 310.313 1.553 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cnc2n1CCCCC2 1156885310 CZEHKSSGZLMUFW-UHFFFAOYSA-N 301.346 1.951 10 10 DDCE CC(=O)C(=O)[C@@]1(O)C[C@H](CNC(=O)OC(C)(C)C)C12CCC2 1961917029 MEYJRTPSICSWDU-BZNIZROVSA-N 311.378 1.591 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1c1ccc(CN)c(F)c1 135229787 CJTQRQCLMFLJQJ-LBPRGKRZSA-N 304.412 1.208 10 10 DDCE [N-]=[N+]=NCCN[C@H](C(=O)O)c1ncc(Br)s1 714035341 ZGAMWAMVXFFAEO-YFKPBYRVSA-N 306.145 1.931 10 10 DDCE C[C@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@H](C)S1 70382492 ODDYBMNPYGVEIQ-QWRGUYRKSA-N 300.449 1.924 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)CC2CC2)cc1C 1507167961 NSAVKWOLKSQJFV-HNNXBMFYSA-N 306.406 1.370 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cc(O)cc([N+](=O)[O-])c1 1299573336 JUNOXXFVRIRDTQ-UHFFFAOYSA-N 304.258 1.642 10 10 DDCE CC[C@H](CNC(=O)c1cnon1)NCc1ccc(OC)c(C)c1 1481863481 GKICJDJKTFEHMN-CYBMUJFWSA-N 318.377 1.685 10 10 DDCE CSc1ncc(C(=O)NCc2c(O)cccc2O)c(O)n1 1558535628 LLYVHIKEYILEHX-UHFFFAOYSA-N 307.331 1.245 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nccnc1Cl 1624954558 IKYVPYBMXNGQIY-QMMMGPOBSA-N 307.737 1.902 10 10 DDCE COc1ccc(N2CCCN(C[C@H](O)C(C)(C)O)CC2)cc1 1559492321 MDDBJICVTCLQKI-INIZCTEOSA-N 308.422 1.339 10 10 DDCE C[C@@H](NC(=O)c1ccc(-n2cnnn2)cn1)c1ccccc1O 1635799161 RFQNQNNRKFPNEF-SNVBAGLBSA-N 310.317 1.254 10 10 DDCE Cc1ccccc1-n1c(C)cc(C(=O)NC[C@@H](O)CO)c1C 1636696609 UCRJTJMAOXHSEB-CQSZACIVSA-N 302.374 1.486 10 10 DDCE COc1ccc(/C=C2\SC(=S)N(NC(C)=O)C2=O)cc1 1300989 HFMUELHXGBWHTI-XFFZJAGNSA-N 308.384 1.948 10 10 DDCE COc1ccc(CCNC(=O)Cc2ccc(O)c(O)c2)cc1O 1594506435 NUFMBNKILVXABQ-UHFFFAOYSA-N 317.341 1.713 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N1CCNC[C@@H]1c1ccccc1 1866302790 DFYVZLVBKLLUCN-CYBMUJFWSA-N 314.341 1.590 10 10 DDCE CN(C)C(=O)N[C@@H]1CCCN(CCCOc2ccc(N)cc2)C1 586070576 NBQILXTUBPVKIP-OAHLLOKOSA-N 320.437 1.773 10 10 DDCE CN[C@@H](c1ccccc1O)[C@@](C)(O)CNC(=O)OC(C)(C)C 1921905221 IQGGJTJAFXZQBA-BBRMVZONSA-N 310.394 1.928 10 10 DDCE Cc1[nH]c(=O)sc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 232402217 VRJCOVVJKPDHPP-UHFFFAOYSA-N 320.779 1.905 10 10 DDCE Cn1cc(Br)c(COc2cc(F)cnc2N)n1 1940259225 RORAHRDJKIIZDS-UHFFFAOYSA-N 301.119 1.878 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@H]2CNCC(=O)N2)c1 1952344936 WYRVOIHCVRYYOL-LLVKDONJSA-N 307.350 1.500 10 10 DDCE CN1CCc2cc([C@@H](N)[C@H](O)CNC(=O)OC(C)(C)C)ccc21 1977944664 JAOONDVXSHHLDE-HUUCEWRRSA-N 321.421 1.564 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCN(C[C@H](N)c2ccccc2O)C1 1980561930 POWHCEBTAQAVGP-JSGCOSHPSA-N 321.421 1.991 10 10 DDCE Nc1cccc(Br)c1N[C@H]1CCNC[C@H]1CO 2016909050 ZWMITLLTQADKSI-KWQFWETISA-N 300.200 1.414 10 10 DDCE CS(=O)(=O)N1CCC[C@H](NCc2c(O)cccc2Cl)C1 400128924 AGLXRMDTFTXWAF-JTQLQIEISA-N 318.826 1.559 10 10 DDCE CC(C)[C@H](C(=O)NCc1c(O)cc(O)cc1O)N1CCCCC1 2064402925 WNAQKQYZLGHMHJ-MRXNPFEDSA-N 322.405 1.930 10 10 DDCE C[C@H]1[C@@H](C)N(c2ccc(CN)c(F)c2F)CCS1(=O)=O 2170277846 HYHXRIJSMGHOGA-BDAKNGLRSA-N 304.362 1.435 10 10 DDCE CCc1nn([C@H](C)c2ccc(OC)cc2O)c(N)c1C(N)=O 2079980669 IAXONIDBQGSHOS-MRVPVSSYSA-N 304.350 1.450 10 10 DDCE O=S(=O)(Nc1ccc(O)c(F)c1)c1csc(CO)c1 2101564376 JGMHQBOYDYMBGG-UHFFFAOYSA-N 303.336 1.886 10 10 DDCE O=C(O)[C@@H](C1CC1)S(=O)(=O)Nc1ccc(O)c(Cl)c1 2110748539 CKDNFHIIMXAZIA-SNVBAGLBSA-N 305.739 1.651 10 10 DDCE CC(C)(C)OC(=O)Nc1ccccc1COc1nnc(=N)[nH]n1 2210647430 RYNXREGKAGGKKO-UHFFFAOYSA-N 318.337 1.605 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1nccc(Br)n1 2272028069 GUQUFVGPJZYEGC-UHFFFAOYSA-N 324.134 1.832 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2C[C@]3(C(=O)O)C[C@H]23)s1 2284506565 GXIDQIHVNBJAPW-DNSOKLHBSA-N 313.404 1.527 10 10 DDCE O=C1NC(=O)N(C2CCCCC2)C(=O)C1=CNN1CCCCC1 2297455823 DATGCDHAEADECN-UHFFFAOYSA-N 320.393 1.272 10 10 DDCE c1cnn(CCCNCc2ccc(N3CCOCC3)cc2)c1 67186405 BHIRGYVCLOYBLH-UHFFFAOYSA-N 300.406 1.900 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[C@H]1O 302408032 HGLMNCWRYKXHCP-PRHODGIISA-N 307.306 1.133 10 10 DDCE C[C@H](O)CNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 127045145 MLXPCIQEBOZOSK-JTQLQIEISA-N 309.321 1.573 10 10 DDCE O=C1c2ccccc2C(=O)c2c1cccc2C(=O)N1CC[C@H](O)C1 133363094 GTZDNWGMPWZKBF-NSHDSACASA-N 321.332 1.669 10 10 DDCE CN(CC(=O)O)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 255046089 WZMAPVWWVNIBEX-DAXSKMNVSA-N 304.346 1.079 10 10 DDCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@@H]1CCOC1 255074515 NYQIDHZUJASSFN-OMVNSRBRSA-N 302.374 1.442 10 10 DDCE O=C1NC(=S)S/C1=C\c1cnc(N2CCOCC2)s1 263740028 QRORHJTXXRNDIK-YVMONPNESA-N 313.429 1.469 10 10 DDCE COc1ccc(C(=O)CCC(=O)OCC(=O)C(C)=O)cc1F 808524735 FOBUBNMEJQRDJE-UHFFFAOYSA-N 310.277 1.499 10 10 DDCE CCC[C@H](C)[C@H](CO)NCC(=O)NCc1ccc(N(C)C)cc1 844380371 SWMAVBYTTRZKMM-YOEHRIQHSA-N 321.465 1.756 10 10 DDCE Cc1ccc(O)c(CNC[C@@H](N)c2ccc(N(C)C)cc2)n1 841041864 FXLJYRAAENUQCS-OAHLLOKOSA-N 300.406 1.951 10 10 DDCE COC[C@H](C)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 849224947 MLYKOEUYSXGYNK-QWHCGFSZSA-N 307.394 1.608 10 10 DDCE O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)N1Cc2cccc(O)c2C1 926677001 NCPZRSSXJSHHLP-XUJVJEKNSA-N 304.346 1.221 10 10 DDCE C[C@@H]1[C@H](NC[C@@H](N)c2ccc(N(C)C)cc2)C[C@H]2CC[C@H]1N2 925695972 YXJGZFJFSQRUJG-SEYFSXTGSA-N 302.466 1.871 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)[C@@H](C)N)C2)cc1 851666479 HIFVPBGNYLTQHA-AGIUHOORSA-N 306.410 1.309 10 10 DDCE COC(=O)N(C)CCN(C)C(=O)/C=C\c1ccc(O)c(O)c1 855886777 YYSALKBPPRPARE-ALCCZGGFSA-N 308.334 1.268 10 10 DDCE NC[C@@H]1CC(C(=O)NCc2ccc(N3CCCC3)cc2)=NO1 852859957 FXUODOJCNATBBP-AWEZNQCLSA-N 302.378 1.007 10 10 DDCE OCCO[C@]1(CNCc2cc(Cl)ccc2O)CCOC1 850358542 RTNREDVVVVFKOR-AWEZNQCLSA-N 301.770 1.303 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@]3(O)CCSC3)C2)cc1 855233703 KWQQPRKZXKFWBV-WBMJQRKESA-N 322.430 1.258 10 10 DDCE COC[C@H]1CCN1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852448931 NXKMWJNYOGLMIB-UKRRQHHQSA-N 319.405 1.704 10 10 DDCE COc1cc(COCC(=O)NCc2cc(C)ccc2O)ccn1 862753084 BDADRKITOKISCV-UHFFFAOYSA-N 316.357 1.937 10 10 DDCE C[C@H](NC(=O)N[C@@H](C)[C@H](C)N1CCOCC1)c1ccccc1O 868284748 BQTFELFKGZQCQP-IHRRRGAJSA-N 321.421 1.862 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@]1(CCO)CCOC1 779533576 JVJUNXPZSQJSAI-WPTTZPOMSA-N 307.346 1.016 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCCc1nnc2n1CCC2 779500814 PYJZJRMXBWCDQX-GQCTYLIASA-N 314.345 1.008 10 10 DDCE COC(=O)c1c(CN[C@H](C)CC(N)=O)c2cc(F)ccc2n1C 894343019 SHGUIVJHTUYPNV-SECBINFHSA-N 321.352 1.458 10 10 DDCE Cc1ccc(C(=O)N2CCN3C(=O)OCC[C@@H]3C2)c(O)c1O 780996360 CFGPBYXYUAZSEY-SNVBAGLBSA-N 306.318 1.073 10 10 DDCE CSCCCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1 785428972 UFQXZKYZFOZFPI-UHFFFAOYSA-N 323.462 1.628 10 10 DDCE C[C@H](NCc1cc(F)c(N(C)C)cc1F)c1nnc(O)n1C 895170518 FDQQUWCXFIFXQO-QMMMGPOBSA-N 311.336 1.716 10 10 DDCE O=C(NC[C@H](c1ccccc1)c1nc[nH]n1)c1cccc(O)c1O 1140671458 FNKPIODZIQBIBA-CYBMUJFWSA-N 324.340 1.778 10 10 DDCE O=C1CCN(C(=O)Cc2ccc(O)c(O)c2)CCCCCN1 1305494486 DNYSDJUWVQFHKF-UHFFFAOYSA-N 306.362 1.159 10 10 DDCE Cc1ccc(-n2cnnc2)c(C(=O)NCc2c(O)cccc2O)c1 1156885979 QVGXWPLVNCOQTJ-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCCCCN=[N+]=[N-] 1885562148 BCHWOKWGDHWPRH-VIFPVBQESA-N 301.347 1.079 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cnn(-c2cccnc2)c1 1178912749 XFHBERKJPPEUSW-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)NC[C@@H]2CCCC23CC3)cc1 1329092396 PXMBXTVTKFHRDQ-AWEZNQCLSA-N 315.417 1.624 10 10 DDCE CS(=O)(=O)c1ccc(S(=O)(=O)CCCN=[N+]=[N-])cc1 63131724 GQMDNZKEYWPHIK-UHFFFAOYSA-N 303.365 1.564 10 10 DDCE CNc1cc(CNC(=O)NCc2cccc(OC)c2O)ccn1 1347188395 WRQUFOYZROUYMN-UHFFFAOYSA-N 316.361 1.837 10 10 DDCE CCOC(=O)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1293112359 WVRBOGCRLXVLBU-LBPRGKRZSA-N 318.333 1.921 10 10 DDCE COc1ccc(CNC(=O)c2cn3nccc3nc2C)c(O)c1 1617753851 TWPMIAUOOMDWSC-UHFFFAOYSA-N 312.329 1.682 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)CN(C)C(C)=O)cc1C 1715969668 WXSGTHAKKMYGNP-ZDUSSCGKSA-N 321.421 1.076 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCc1ccc2c[nH]nc2c1 1636402894 LTCXBGYQMUVMNG-UHFFFAOYSA-N 311.341 1.876 10 10 DDCE C[C@H](O)CN(C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1722926764 OFOWFYSCBHPSMD-QWRGUYRKSA-N 321.381 1.280 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cncc2nc[nH]c12 1632681074 MKGFMQUSUJEIOK-VIFPVBQESA-N 312.329 1.730 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1snc(O)c1Cl 1593873637 UTIDGFGYVQDUIV-UHFFFAOYSA-N 300.723 1.843 10 10 DDCE CCN(CCNCc1ccc(OC)c(C)c1)C(=O)c1cnn[nH]1 1668483270 KRRRVKINDKEBDQ-UHFFFAOYSA-N 317.393 1.374 10 10 DDCE O=S1(=O)CC2(CC(NCc3cccc(Cl)c3O)C2)C1 1967803614 WJCAFDFJHPKKTG-UHFFFAOYSA-N 301.795 1.712 10 10 DDCE CN(C)c1ccc([C@H](NC(=O)OC(C)(C)C)C(CO)CO)cc1 1927287250 KIPSPDBBFZDJKG-HNNXBMFYSA-N 324.421 1.919 10 10 DDCE CC[C@@H](O)c1ccc(N(C)CCS(=O)(=O)N(C)C)cc1 2151050954 WSTCHNFOQJQTKE-CQSZACIVSA-N 300.424 1.458 10 10 DDCE O=C(O)C1[C@@H]2CN(Cc3ccc(Br)cc3O)C[C@@H]12 2027119485 KODRPCIZVFLZBJ-NXEZZACHSA-N 312.163 1.917 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC3CCC(CO)CC3)c2n1 2063009920 PUIAYRIFTYBDMW-UHFFFAOYSA-N 304.350 1.024 10 10 DDCE C[C@H](N)c1ccc(N2CC3(CNS(=O)(=O)C3)C2)c(Cl)c1 2176158110 NVNFNSXLMCTGIP-VIFPVBQESA-N 315.826 1.099 10 10 DDCE CN1CCO[C@@H](CN(C)c2cc(Cl)c(CN)cc2F)C1 2177382223 XSWMTTJQVLYMRQ-LLVKDONJSA-N 301.793 1.705 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H](O)C[C@@H](O)C2)c(Br)c1 2043128417 DIIMPDFBGZUPFN-FBIMIBRVSA-N 315.211 1.401 10 10 DDCE Oc1ccc(CNCCn2cc(Br)nn2)cc1O 2072769250 BCKVQRFZEBRGCD-UHFFFAOYSA-N 313.155 1.242 10 10 DDCE NC(=O)C[C@@H]1CCCN1c1ccc(CO)c(Br)c1 2257773959 LBVLDMGIDQUEBS-JTQLQIEISA-N 313.195 1.786 10 10 DDCE Cn1cccc1C=C1C(=O)Nc2ccc(S(N)(=O)=O)cc21 2297355511 JKPCZVITCCUIGV-UHFFFAOYSA-N 303.343 1.165 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NCCCC(=O)NC1CC1 2307990267 DYVKGUYLPAZPJR-UHFFFAOYSA-N 304.346 1.286 10 10 DDCE COC(=O)/C=C/c1ccc(N2CCC(CO)CC2)c([N+](=O)[O-])c1 52243658 WAOKVDRZHHHTFI-HWKANZROSA-N 320.345 1.990 10 10 DDCE O=C(CNC(=O)c1ccsc1)NCCc1ccc(O)c(O)c1 122850412 SQUHJVVNDQVLDK-UHFFFAOYSA-N 320.370 1.248 10 10 DDCE COc1ccc(O)c(CNC(=O)c2cnn3c2CCCC3)c1 128331619 IPSIEXHCLCXGLV-UHFFFAOYSA-N 301.346 1.864 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC=C(C(F)(F)F)C2)cc1 2366007942 HZQNXXIKEQRJMV-UHFFFAOYSA-N 306.309 1.903 10 10 DDCE NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1Br 228146802 GSSKVLNWVQQJRW-JTQLQIEISA-N 312.211 1.610 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C1CCS(=O)CC1 93659416 UIQNGHNMIHILMH-UHFFFAOYSA-N 322.474 1.866 10 10 DDCE Cc1ccc(O)c(CN2CCN(CC(F)(F)F)C(=O)C2)c1 289586455 KGBGWDBNEFFACJ-UHFFFAOYSA-N 302.296 1.907 10 10 DDCE COC(=O)[C@@H]1CC[C@H](C(=O)NCCc2ccc(O)c(O)c2)C1 839713069 SSLRNTDTVWIIHB-NWDGAFQWSA-N 307.346 1.346 10 10 DDCE COc1cccc(CN2CCn3c(CC4CC4)nnc3C2)c1O 846014067 NYXLTRMZCSSUMR-UHFFFAOYSA-N 314.389 1.961 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)[C@H](C)CCO)c([N+](=O)[O-])c1 845752732 QJXBNTKUSFCXOG-OKPNEXGHSA-N 308.334 1.988 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CNCC[C@@H]2C)c1 841977035 QEYQDXBHLWUANY-MJVIPROJSA-N 307.394 1.759 10 10 DDCE C[C@@H](NC1CCC(C(N)=O)CC1)c1cc([N+](=O)[O-])ccc1O 756705818 VNKLVHGYKWXCBQ-KPPDAEKUSA-N 307.350 1.995 10 10 DDCE COC(=O)[C@H](C[C@H]1CCCOC1)NCc1cccc(OC)c1O 862516018 IOFBGBMYHGLUCL-OCCSQVGLSA-N 323.389 1.849 10 10 DDCE C[C@H](NC(=O)c1c[nH]nc1[C@H]1CCNC1)c1ccccc1O 870988026 DKHNXBPLOGJLIW-QWRGUYRKSA-N 300.362 1.683 10 10 DDCE CN(C)CCn1ccc(C(=O)N2Cc3cccc(O)c3C2)n1 871205796 LBNVSHLHTOATBI-UHFFFAOYSA-N 300.362 1.306 10 10 DDCE COC(=O)[C@]12C[C@H]1CCCN2C(=O)/C=C/c1ccc(O)c(O)c1 886347238 DFNSPKWMHUBMGV-YSRFEFRKSA-N 317.341 1.665 10 10 DDCE COc1cccc(CNC(=O)Nc2cn(C)nc2OC)c1O 789325734 IRVLQTPLOLJGCX-UHFFFAOYSA-N 306.322 1.465 10 10 DDCE O=C(NCc1c(O)cccc1F)N[C@H]1CCC2(C1)OCCO2 1225108663 XSZNMBNCLTWCKK-JTQLQIEISA-N 310.325 1.626 10 10 DDCE O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1c(F)ccc(O)c1O 1161091904 JCSNLQNNDBOJHA-RFAUZJTJSA-N 311.309 1.305 10 10 DDCE C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C 1164261894 DOXUWYXTBPFYTO-GUBZILKMSA-N 317.349 1.587 10 10 DDCE CN(C)c1ccc([C@@H]2NC(=S)NC(C(=O)O)=C2Cl)cc1 76260245 OBWWCWUPVFJDEZ-JTQLQIEISA-N 311.794 1.806 10 10 DDCE Oc1c(Br)cccc1CN1C[C@@H]2OCCO[C@@H]2C1 1964603201 XJCPWAMSXSAWQZ-TXEJJXNPSA-N 314.179 1.754 10 10 DDCE C[C@@H](O)c1ccc(N(C)CC(C)(C)S(C)(=O)=O)cc1O 713925988 ZJWGIVQKBRCMCR-SNVBAGLBSA-N 301.408 1.705 10 10 DDCE COc1ccc(CN[C@H](C)[C@H](C)NC(=O)CCN(C)C)cc1C 1717435003 ATEAAGUZUHEQSO-CABCVRRESA-N 321.465 1.938 10 10 DDCE Cn1cc(C(=O)C(=O)NCc2ccc3cccnc3c2O)cn1 1630531715 BIASQEUHVZAEJI-UHFFFAOYSA-N 310.313 1.173 10 10 DDCE CCCCN(Cc1ccccc1O)C(=O)c1ns[nH]c1=O 1635113051 AELFDBHXFMQGBY-UHFFFAOYSA-N 307.375 1.980 10 10 DDCE O=C(NCCCNc1ccccn1)c1c(F)ccc(O)c1O 1638338605 CACLTSQWBSPZRL-UHFFFAOYSA-N 305.309 1.864 10 10 DDCE Cc1cccc(-n2cc(C(=O)NCc3cccc(O)c3O)nn2)c1 1643812953 SVVHSIUMXAWKFJ-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE Cc1nc(C(=O)NCc2cc(O)ccc2O)nn1-c1ccccc1 1644754018 OCMBYFUZMFOYHB-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE N[C@H]1CC[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 165419625 MDIGGCAJXWKXGJ-CABCVRRESA-N 319.474 1.983 10 10 DDCE CN(C)CCNC(=O)c1cccc2c(N)c3cc(N)ccc3nc12 207105385 MESTWGKPHTYEDG-UHFFFAOYSA-N 323.400 1.844 10 10 DDCE Nc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cc2)cc1 1866040738 WAEQICODULKERV-XJKSGUPXSA-N 313.357 1.722 10 10 DDCE CC(=O)NCCCNCc1cc(Br)ccc1O 236645584 ARNINBAZMZSXLH-UHFFFAOYSA-N 301.184 1.771 10 10 DDCE CN1C(=O)CNC[C@H]1c1cc(NC(=O)OC(C)(C)C)ccc1O 1952343928 JJNPPJZCWMOCRR-LBPRGKRZSA-N 321.377 1.842 10 10 DDCE COc1cc(Br)cc([C@H]2NCC[C@H]2C(=O)O)c1O 1952972580 PEQUOXSXMGGMCO-XCBNKYQSSA-N 316.151 1.899 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC(F)(F)C(F)(F)F)cc1 2145900854 YJBLIDHTISPXGJ-UHFFFAOYSA-N 318.267 1.886 10 10 DDCE NCc1ccc(N2CC[C@@H](O)[C@@H](F)C2)c(F)c1Br 2027987686 YCJNJHVQCWIRJT-WCBMZHEXSA-N 321.165 1.956 10 10 DDCE Oc1c(Br)cccc1CNC[C@@H]1C[C@@H](O)CCO1 2036670483 BITHDNZBQSBHFZ-QWRGUYRKSA-N 316.195 1.784 10 10 DDCE Nc1cc2c(cc1N1CCCC3(C1)OCCO3)CCC(=O)N2 317268761 PMUXMQAIUJMAHC-UHFFFAOYSA-N 303.362 1.497 10 10 DDCE Cc1cc(NS(=O)(=O)N2CCC[C@H]2CO)c(C)cc1O 2161898305 AZWNBXQQYXRRPB-NSHDSACASA-N 300.380 1.122 10 10 DDCE O=C1CC[C@@H](NCc2c(O)cccc2Br)C(=O)N1 706852089 NPOWWFFOVCXGRA-SECBINFHSA-N 313.151 1.050 10 10 DDCE CNCc1ccc(N2C[C@@H](F)[C@H](CO)C2)c(Br)c1 2057011342 AYZFYBBPSUCMNF-CMPLNLGQSA-N 317.202 1.935 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2C[C@H](O)[C@H](OC)C2)c1O 2187372458 HOWPFISWEUTFCR-GRYCIOLGSA-N 301.770 1.682 10 10 DDCE CC1(C)OC[C@H](NCc2c(O)cccc2Br)[C@@H]1O 2078740813 ZCZORCGROGJLFV-JQWIXIFHSA-N 316.195 1.783 10 10 DDCE CSc1ncc(CNC[C@@H](C)CN2CCOCC2)s1 2208477588 AOZPGEMFGDTQIN-LLVKDONJSA-N 301.481 1.923 10 10 DDCE CCN1CCN(C2=NC(=O)C(=Cc3cccc(O)c3)S2)CC1 2293410445 QOOMGBURMIJYSP-UHFFFAOYSA-N 317.414 2.000 10 10 DDCE CN(C)c1ccc(CNC(=O)NCC(=O)NC(C)(C)C)cc1F 58556749 IQNRDIJRCJOSMY-UHFFFAOYSA-N 324.400 1.606 10 10 DDCE Cc1cc(N2CCC[C@H](NCc3ccccc3O)C2=O)n(C)n1 173854677 JCZGWMAPWREYFF-AWEZNQCLSA-N 314.389 1.719 10 10 DDCE CCN1CCC[C@@H](NC(=O)NCc2cc(OC)ccc2O)C1 114590784 QQJNDIDOCNBCJM-CYBMUJFWSA-N 307.394 1.684 10 10 DDCE CN(C)c1ccc([C@H]2NC[C@H](CSc3nnco3)O2)cc1 75330535 LWMCSHMWRMHILA-OLZOCXBDSA-N 306.391 1.915 10 10 DDCE CCOc1ccc(O)c(CN2C[C@H](C)[C@H](N3CCOCC3)C2)c1 180234613 SIPXCNSMNNTITG-WMLDXEAASA-N 320.433 1.943 10 10 DDCE Cc1ccc(C(=O)N2CCO[C@@H](Cn3cccn3)C2)c(O)c1O 182425712 HOMGOSVGSLHKIJ-GFCCVEGCSA-N 317.345 1.144 10 10 DDCE NS(=O)(=O)Cc1ccc(NCc2cccc(O)c2O)cc1 41117546 FSAVEPPUOBBMFQ-UHFFFAOYSA-N 308.359 1.498 10 10 DDCE O=C(NCCN1C(=O)CSC1=S)c1ccc2c(c1)OCO2 49755914 HCMARQZOACHHRK-UHFFFAOYSA-N 324.383 1.005 10 10 DDCE CN[C@H]1C(=O)Nc2cc(N3CCC[C@](C)(O)C3)c(Cl)cc21 253068836 LCWSLWQRRRBMJV-HIFRSBDPSA-N 309.797 1.904 10 10 DDCE O=[S@@]1[C@H]2CC[C@H]1CN(Cc1cc3c(cc1O)OCO3)CC2 529672417 GKJWSLTXVHSICE-QSRBQVKKSA-N 309.387 1.606 10 10 DDCE O=C1N[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CO1 283548481 UWRCTCBFLIIHRO-CHWSQXEVSA-N 320.345 1.008 10 10 DDCE CC(C)c1nn(C)cc1NC(=O)C(=O)NCc1ccccc1O 280441686 VJSGRUKJEZYJLD-UHFFFAOYSA-N 316.361 1.504 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 808519705 DGGMDHSAIIDWGJ-GHMZBOCLSA-N 313.350 1.381 10 10 DDCE CC(=O)C(=O)COC(=O)CCc1cccc(OC(C)(C)C)n1 808526016 KRJZARDYTANGEI-UHFFFAOYSA-N 307.346 1.893 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NC2COCCOC2)c1 813816485 XWHOQIBLFGWQIS-SNVBAGLBSA-N 310.350 1.176 10 10 DDCE CCN(C)c1ccc([C@@H](C)N[C@H]2CCC(=O)N(C)C2=O)cc1 818361527 KSRDHYMQGANAKO-DOMZBBRYSA-N 303.406 1.941 10 10 DDCE COC[C@H](CCNCc1ccc([N+](=O)[O-])c(OC)c1O)OC 826840955 ZVWMAMSAMBZIDV-NSHDSACASA-N 314.338 1.450 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@@H](O)C(C)(C)O)cc1F 900638664 ZAMJQVGGYNJWTM-CQSZACIVSA-N 312.385 1.420 10 10 DDCE CCc1nc(C2CCN(C(=O)Cc3ccc(N)cc3)CC2)n[nH]1 832140179 LKCQWBQKSXFLDM-UHFFFAOYSA-N 313.405 1.898 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCC[C@H]2CC(=O)N(C)C2)c1 903215989 RZLAUURIWSSTPI-RYUDHWBXSA-N 320.389 1.698 10 10 DDCE COc1ccc(N2CC[C@@H](N3C(=O)[C@H]4CCCN4C3=O)C2)cc1 849357774 PUKYJBVRSDVORZ-UKRRQHHQSA-N 315.373 1.701 10 10 DDCE CC(C)(C)NS(=O)(=O)Cc1nc(Cc2ccc(N)cc2)no1 843158465 DGLCDIGBUYALSE-UHFFFAOYSA-N 324.406 1.461 10 10 DDCE C[C@H](O)[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCO1 840244510 OBDMASADNJEBDB-WFASDCNBSA-N 307.394 1.044 10 10 DDCE Cn1cc(CCN(Cc2ccccc2O)C[C@@H]2CCCO2)nn1 859191290 YTRUPDMTZZDDOZ-INIZCTEOSA-N 316.405 1.744 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](OC)C3)C2)cc1 854300631 XDARXZUPXBIKMX-CJNGLKHVSA-N 319.405 1.704 10 10 DDCE O=C(NCc1c(O)cccc1F)C1CN(CC(F)(F)F)C1 928709013 VROITISPSTXMED-UHFFFAOYSA-N 306.259 1.642 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@]1(C)CO 853964089 IYJDKLXMCYPIGW-RFAUZJTJSA-N 321.333 1.380 10 10 DDCE Cc1ccc([C@H](C)NC[C@@]23COCCN2C(=O)OC3)c(O)c1C 866520086 BZKNVSXATRRDMY-GUYCJALGSA-N 320.389 1.881 10 10 DDCE NCCCOCCNCc1cc(Br)ccc1O 863484149 HIYLZPSZIYPLRI-UHFFFAOYSA-N 303.200 1.610 10 10 DDCE COc1ccc(CNC(=O)/C=C/c2cncc(O)c2)c(O)c1 794391029 STVQBYKGZFCFBS-GORDUTHDSA-N 300.314 1.831 10 10 DDCE COC(=O)c1c(CN2CC(C)(CO)C2)c2cc(F)ccc2n1C 894980502 RVMFWKNUUXBWDY-UHFFFAOYSA-N 320.364 1.918 10 10 DDCE Cc1ccc(C(=O)NCc2c3c(nn2C)CCCC3)c(O)c1O 794435915 MDOZTLLDKMXQAL-UHFFFAOYSA-N 315.373 1.949 10 10 DDCE NC(=O)c1cc(C(=O)NCc2c(O)ccc3ccccc23)c[nH]1 1179029900 VQRQBJCGTIZBAA-UHFFFAOYSA-N 309.325 1.902 10 10 DDCE CCC[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1893864854 QOOGLJSPRTZQMN-SRVKXCTJSA-N 312.410 1.945 10 10 DDCE Cc1ncn(CCOc2ccc(N)cc2)c(=O)c1Br 90766006 RZJGVTGEDXYARR-UHFFFAOYSA-N 324.178 1.975 10 10 DDCE Cn1nccc1[C@@H](O)CNCc1ccc(N2CCCC2)cc1 1332798201 PUDDNHSKDMYEDX-KRWDZBQOSA-N 300.406 1.844 10 10 DDCE CCOc1cc(/C=C2/C(=O)NC(C)=C2C(=O)OC)ccc1O 113212 XEQPEDRSJCDBPY-YRNVUSSQSA-N 303.314 1.751 10 10 DDCE CCn1cc(-c2nn(C)cc2C(=O)N2CCc3cccnc32)cn1 1521010726 HVMRVPAOFLEWDB-UHFFFAOYSA-N 322.372 1.901 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc([N+](=O)[O-])cc1O 1456310643 DBAQNBXARDICTC-UHFFFAOYSA-N 304.258 1.642 10 10 DDCE CCOc1cc(CN2CCCNCC2)ccc1N1CCNCC1 212642160 FHESOIMZGRUZFE-UHFFFAOYSA-N 318.465 1.290 10 10 DDCE Cc1ccc(C(=O)N(Cc2nn[nH]n2)CC(C)C)c(O)c1O 1637057462 GFODRBOZBOFYAM-UHFFFAOYSA-N 305.338 1.218 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1=C[S@](=O)CCC1 1632680868 HDDXEXVKNZLGDT-LADRHHBVSA-N 309.387 1.571 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)c1cccc(F)c1 1566337446 VSTBPGNINZQJGH-OAHLLOKOSA-N 305.305 1.629 10 10 DDCE Nc1nc(N)nc(N(Cc2ccco2)Cc2ccccc2O)n1 1650919716 RNDYPEAXKMJPLU-UHFFFAOYSA-N 312.333 1.541 10 10 DDCE Cn1ncc(Br)c1C(=O)N1CC[C@H](CN=[N+]=[N-])C1 1912146604 SVVWJQMGVKEMKX-SSDOTTSWSA-N 313.159 1.955 10 10 DDCE O=C(O)Cc1ccccc1NC(=O)c1cc(O)c(O)c(O)c1 1865876468 MOEQAHNIFOWJQI-UHFFFAOYSA-N 303.270 1.683 10 10 DDCE COC(=O)CCCS(=O)(=O)Nc1c(C)cc(O)cc1C 1201915379 MHCFPPGVSYUKTR-UHFFFAOYSA-N 301.364 1.704 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)c1nn[nH]c1NC(=O)OC(C)(C)C 1900612616 KZOPXCWUHNEOCQ-UHFFFAOYSA-N 324.345 1.924 10 10 DDCE CCCS(=O)(=O)CCOC(=O)COc1ccc(N)cc1 233256312 PGDAUACZNOKCKO-UHFFFAOYSA-N 301.364 1.016 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1ccc(O)c(O)c1O 1951381472 AFYYDGWHVRZPEF-MRVPVSSYSA-N 313.306 1.844 10 10 DDCE COc1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc(O)c1O 1951474812 HNZRWDWKBYIKLA-SNVBAGLBSA-N 313.306 1.757 10 10 DDCE CC(C)(C)OC(=O)N[C@@]1(c2cc(O)ccc2O)C[C@H]1C(=O)O 1952772529 MQAXUECGNOGMHR-ZUZCIYMTSA-N 309.318 1.922 10 10 DDCE [N-]=[N+]=NCCN1CC(O)(C2CCN(C(=O)C(F)(F)F)CC2)C1 1983442438 HVHCUQPSPWXRQY-UHFFFAOYSA-N 321.303 1.144 10 10 DDCE COCCS(=O)(=O)CCCC(=O)Nc1ccc(N)cc1 35322164 PGDIPJAXPJUYBC-UHFFFAOYSA-N 300.380 1.049 10 10 DDCE [N-]=[N+]=N[C@@H]1CCCN(C(=O)C2CCS(=O)(=O)CC2)CC1 2155551019 IFEKNKSEAFSXHK-LLVKDONJSA-N 300.384 1.503 10 10 DDCE CS(=O)(=O)N1CCN(c2cc(Cl)c(CN)cc2F)CC1 2177382211 XNPSYQBOIVGOIO-UHFFFAOYSA-N 321.805 1.019 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@@H](C)C(N)=O)c(Br)c1 723181292 DZZKPKAEJSTBFY-YUMQZZPRSA-N 300.200 1.779 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@]1(CO)CC2CCC1CC2 2062345385 QTPGVDMRJSNWJQ-YUNLISADSA-N 305.374 1.698 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC3CC4(C3)CC4(F)F)c2n1 2062445198 FLVRRQVZMONOGP-UHFFFAOYSA-N 308.288 1.661 10 10 DDCE Oc1ccc(CNCCn2cc(Br)nn2)c(O)c1 2072769842 HZBPSLJJOINSSN-UHFFFAOYSA-N 313.155 1.242 10 10 DDCE O=S1(=O)CC[C@H]2CN(Cc3ccc(Cl)cc3O)C[C@@H]21 2090128325 GQJCEKCNPHYUOX-GWCFXTLKSA-N 301.795 1.665 10 10 DDCE Oc1cccc(Br)c1CN[C@@H]1CCC[C@H](O)[C@@H]1O 2217647770 XPTJTRRWAJMWEV-KGYLQXTDSA-N 316.195 1.519 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@H](CN)C2CC2)s1 2257095765 DAGPRVPSUKTRND-SECBINFHSA-N 307.466 1.022 10 10 DDCE COc1cc(OC)c(N(CCN)CCN(C)C)cc1Cl 2285869204 KFCTXHZDCBXJRN-UHFFFAOYSA-N 301.818 1.684 10 10 DDCE C[C@H]1CN2CCC[C@H]2CN1C(=O)C=Cc1ccc(O)c(O)c1 2307987186 JVSGFQVUVWFVKY-JSGCOSHPSA-N 302.374 1.806 10 10 DDCE Nc1cc(Cl)c(N2C(=O)[C@H]3COC[C@@H]3C2=O)c(Cl)c1 2340240634 DFMROMIWIRFXFH-BQBZGAKWSA-N 301.129 1.711 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc2c(s1)[C@H]1CC[C@@H](C2)N1 2365289538 VMYHFNHTNIHYEU-DTWKUNHWSA-N 316.452 1.491 10 10 DDCE CCOc1cccc(CNN(C)S(=O)(=O)C2CC2)c1O 2365322929 TYABANMLVLVNJQ-UHFFFAOYSA-N 300.380 1.220 10 10 DDCE CC[C@H]1CN(C(=O)c2cccc(O)c2O)CCN1CCOC 193075616 PSVNAACHEUWXNY-LBPRGKRZSA-N 308.378 1.281 10 10 DDCE C[C@H]1C(=O)NCCN1c1ccc([C@@H](C)N)c(Br)c1 235218189 XRKFBMSALAIPFB-BDAKNGLRSA-N 312.211 1.794 10 10 DDCE COc1ccc(O)c(CNC(=O)Cn2ccc(C(F)F)n2)c1 528858764 BZDIMPUEQQXHON-UHFFFAOYSA-N 311.288 1.851 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)C[C@@H](OC)C2CC2)c1 827200323 JJKKKDKGUCRYPC-CQSZACIVSA-N 315.391 1.245 10 10 DDCE CO[C@@]1(C(=O)O)CCN(C/C=C\c2ccc(N(C)C)cc2)C1 901542359 ORRZEAQMGSLOMS-CHYADLBTSA-N 304.390 1.941 10 10 DDCE CN1CCCc2cc(CNC(=O)N3CC(C)(CO)C3)ccc21 838031413 HTISNXLJOSKZAK-UHFFFAOYSA-N 303.406 1.593 10 10 DDCE CC1(C)[C@@H]2CN(Cc3cc(O)n4ncc(C(=O)O)c4n3)C[C@H]21 737722069 DPBBOAJQXRYBTH-GHMZBOCLSA-N 302.334 1.221 10 10 DDCE CCn1nccc1C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855223652 CCYPWGNBDSCXGD-CYBMUJFWSA-N 314.389 1.920 10 10 DDCE CC(C)(C)OCCS(=O)(=O)NCc1c(O)cccc1F 921451064 JMKBLAREVKKBAD-UHFFFAOYSA-N 305.371 1.766 10 10 DDCE COCCN1CCC[C@H]1CNC(=O)NCc1cc(C)ccc1O 858233727 AOBDDLQABLFMQI-HNNXBMFYSA-N 321.421 1.611 10 10 DDCE COC(OC)C(=O)N1CCN(Cc2ccc(N(C)C)cc2)CC1 930959531 YJNJVGQCOOILLI-UHFFFAOYSA-N 321.421 1.016 10 10 DDCE NC(=O)C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 779481899 RMLBQLSJRNFGPZ-HWPRWLFBSA-N 304.346 1.368 10 10 DDCE COC(=O)/C=C/c1ccc(N2C[C@H](O)C[C@H]2C)c([N+](=O)[O-])c1 788078045 SVCOATHQUCXADB-QQHVKIJGSA-N 306.318 1.741 10 10 DDCE Cc1ccncc1S(=O)(=O)NCc1ccc(N(C)C)cc1 787918910 QPDLLZXNOBIHEN-UHFFFAOYSA-N 305.403 1.935 10 10 DDCE C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](CO)O1 897521923 QWAVPRMAAJKSEL-PSASIEDQSA-N 323.370 1.534 10 10 DDCE COc1ccc(O)c(CNC(=O)c2cnn(C)c2SC)c1 790788350 UWFMUYSXXIZWNL-UHFFFAOYSA-N 307.375 1.786 10 10 DDCE CS(=O)(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)o1 1153885925 SPRYZDDDVMDLOI-UHFFFAOYSA-N 311.315 1.024 10 10 DDCE C[C@@H](c1ccc(F)cc1O)N1CCN(S(C)(=O)=O)CC1 134029531 BDMYFGLSMPPZKC-JTQLQIEISA-N 302.371 1.170 10 10 DDCE CCCC(=O)N1CCC[C@H]1C(=O)NCc1c(O)cccc1O 1156880963 JLNFTZIFFYLVSU-LBPRGKRZSA-N 306.362 1.505 10 10 DDCE O=C(O)[C@@H]1CC[C@@H](S(=O)(=O)Nc2ccc(O)c(F)c2)C1 712839017 MNYUZZHXRFEKEH-VXNVDRBHSA-N 303.311 1.526 10 10 DDCE COc1cc(Cl)cc(CNC2(C)CS(=O)(=O)C2)c1O 1918395389 LFVJZJDYMSANEK-UHFFFAOYSA-N 305.783 1.331 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2CC[C@H]3CN(C)C[C@H]32)c1O 1346659625 BLYGPRSLPGPERG-BFHYXJOUSA-N 319.405 1.540 10 10 DDCE CO[C@@H]1CC[C@@H](C)N(C(=O)C(=O)N(C)Cc2ccccc2O)C1 1261870030 DYNHUYKYIVFIGD-TZMCWYRMSA-N 320.389 1.377 10 10 DDCE Cc1cnc2c(c1)N(C(=O)c1ccnc3c1CC(=O)N3)CCN2 1351289421 VNBFQZDAZFCGAO-UHFFFAOYSA-N 309.329 1.352 10 10 DDCE CCOC(=O)c1nc(=NCc2ccc3cccnc3c2O)cc[nH]1 1458449978 SDCHZRANSITSBL-UHFFFAOYSA-N 324.340 1.941 10 10 DDCE CCC[C@@H](C)N1C[C@@H](C(=O)NCc2cccc(O)c2O)CC1=O 1528770596 AUHILRDVSVWRNA-YPMHNXCESA-N 320.389 1.751 10 10 DDCE CCn1nc(C(=O)NCc2cccc(Cl)c2O)ccc1=O 1457038543 WOCRTRDARHUQJS-UHFFFAOYSA-N 307.737 1.552 10 10 DDCE COC(N/C=C1\C(=O)N(c2ccccc2)N=C1C)(OC)OC 3150715 SHCDBMWJLZGCPC-RAXLEYEMSA-N 305.334 1.433 10 10 DDCE CN(C/C=C/C(=O)NCc1c(O)cccc1O)CC(F)(F)F 1472063082 BICFDEPWUPZREP-ZZXKWVIFSA-N 318.295 1.764 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cccc2ncnc(O)c12 1471642011 FWQWSOBZGSCYQW-UHFFFAOYSA-N 311.297 1.677 10 10 DDCE CC(C)(NC(=O)c1ccc(N=NC(N)=O)cc1)c1cnn[nH]1 1556979396 TZSHLBMMUZTFKJ-UHFFFAOYSA-N 301.310 1.632 10 10 DDCE COc1ccc(Br)c(CN2CC[C@H]2CN)c1O 2214882300 DLISQSRIRYITAM-QMMMGPOBSA-N 301.184 1.696 10 10 DDCE Cn1c(=O)oc2c(C(=O)NCc3c(O)cccc3O)cccc21 1647268727 BIEUMFZYBLQEIA-UHFFFAOYSA-N 314.297 1.473 10 10 DDCE COc1ccc(O)c([C@@H](C)NCc2cn(C)nc2[N+](=O)[O-])c1 1653960671 GDMQXDFSSXBCOJ-SECBINFHSA-N 306.322 1.893 10 10 DDCE CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 1586334627 WZUHNOTZZUZFPD-STQMWFEESA-N 320.389 1.404 10 10 DDCE CNCc1ccc(N2CCC[C@H]2C(N)=O)c(C(F)(F)F)c1 163662710 ZTSWLCPFCRLQSR-LBPRGKRZSA-N 301.312 1.879 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@H](CS(C)(=O)=O)C2)c(F)c1 2143673159 TYAPMJHBDAFOOE-MNOVXSKESA-N 301.383 1.750 10 10 DDCE CNCc1ccc(N(C)C[C@H]2CCS(=O)(=O)C2)cc1Cl 2148773190 BCPGBSSDWNTLHE-LLVKDONJSA-N 316.854 1.930 10 10 DDCE Cc1cccc(CN[C@@H](CNC(=O)OC(C)(C)C)C(=O)O)c1O 1994451775 PWMDCFNMNMDFJH-LBPRGKRZSA-N 324.377 1.768 10 10 DDCE C[C@H](N)c1ccc(N(C)CCN(C)S(C)(=O)=O)c(Cl)c1 2146926608 MDXAUCJCBURVFN-JTQLQIEISA-N 319.858 1.687 10 10 DDCE [N-]=[N+]=NCCCN[C@@]1(C(N)=O)CCN(Cc2ccccc2)C1 309582943 OXULYGKSSSCZFT-HNNXBMFYSA-N 302.382 1.406 10 10 DDCE CCNCc1ccc(OC)c(C[S@](=O)CC[S@](C)=O)c1 319389382 AEYPGIBFYNLQND-VQTJNVASSA-N 317.476 1.432 10 10 DDCE C[C@H](N)c1ccc(N2CC(=O)N[C@H](C)C2)cc1Br 387112174 HEHVKVYYDSLWMX-BDAKNGLRSA-N 312.211 1.794 10 10 DDCE CN(C)[C@H](C(=O)NCc1cccc(O)c1O)c1cscn1 2064290218 JJTJHXQFRSBUGH-LBPRGKRZSA-N 307.375 1.473 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)[C@H]1CC(=O)N(C2CCCC2)C1 2065050123 AMFVZZBHVZBEJA-JTQLQIEISA-N 304.346 1.827 10 10 DDCE Oc1cc(Br)ccc1CNCC[C@H]1COC[C@H]1O 2048711377 SVYXZJCCDPEQDC-GXFFZTMASA-N 316.195 1.642 10 10 DDCE CCN[C@@H](c1ccccc1O)c1nn(C)nc1Br 2048804894 LTWFULACIOYUAG-JTQLQIEISA-N 311.183 1.982 10 10 DDCE CO[C@H]1COC[C@@H]1N(C)c1ccc(CO)cc1Br 2057139326 VCDAAMWHHBEWAJ-STQMWFEESA-N 316.195 1.791 10 10 DDCE NCc1ccc(N2C[C@H]3C[C@H]2[C@H]3CO)c(F)c1Br 2082966767 CESMPTFGCYMUFM-YWVKMMECSA-N 315.186 1.864 10 10 DDCE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)Cc2ccc(N)cc2)C1 2095718425 DUMXYXLRHCTUTG-WFASDCNBSA-N 304.390 1.811 10 10 DDCE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2ccc(O)c(O)c2)C1 2095711443 MYZUBFDAHAYJEG-CMPLNLGQSA-N 307.346 1.711 10 10 DDCE CN(CC1CC(S(C)(=O)=O)C1)c1ccc(CN)c(F)c1 2285345892 ZFIBOBSODGRKPD-UHFFFAOYSA-N 300.399 1.544 10 10 DDCE COc1cc(OC)c(N2CC[C@](C)(O)[C@@H](O)C2)cc1Cl 2285865195 BOSQCUYVFFXFEQ-KBPBESRZSA-N 301.770 1.679 10 10 DDCE CC(C)NCc1cc(F)c(N2CCS(=O)(=O)CC2)c(F)c1 62711059 UJVQSJCBKZLALD-UHFFFAOYSA-N 318.389 1.698 10 10 DDCE COc1ccc(N2CCN(C(=O)C(=O)c3ccc[nH]3)CC2)cc1 65083756 FTLPWZAKYFEQJN-UHFFFAOYSA-N 313.357 1.555 10 10 DDCE C[C@H](CCNCc1ccc(N2CCOCC2)cc1)[S@@](C)=O 129374387 JMWSLHHLYYSCRJ-SZNDQCEHSA-N 310.463 1.770 10 10 DDCE CC[C@H]1CN(Cc2ccc(OC)cc2O)CCN1CCOC 120974107 QCJOQDXKSJQLMV-HNNXBMFYSA-N 308.422 1.943 10 10 DDCE N[C@@H](CC(=O)O)c1ccc(I)cc1O 238643688 WUTGQISKRCXPMY-ZETCQYMHSA-N 307.087 1.471 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@H](O)C2)cc1Br 235514585 VAKBHHBHRUXHAW-UPZJHPNMSA-N 301.184 1.011 10 10 DDCE Cn1cnc(CCNCc2cccc(Br)c2O)n1 95015936 QXAVSNCRWBREFI-UHFFFAOYSA-N 311.183 1.616 10 10 DDCE COc1ccc(CN2CCN(Cc3ccon3)CC2)c(O)c1 93561186 NTSGBFSIGCDVJN-UHFFFAOYSA-N 303.362 1.707 10 10 DDCE Cc1cc(/C=C\C(=O)O)ccc1N(C)[C@H]1CCS(=O)(=O)C1 252432365 FBALVKUIMKPYIG-AGLBCWCQSA-N 309.387 1.716 10 10 DDCE CCS(=O)(=O)NC1CN(c2ccc([C@H](C)O)cc2F)C1 2165630953 RKKVAFUQEDJVIE-VIFPVBQESA-N 302.371 1.007 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cnc3n2CCOC3)cc1F 824670086 VTFPLZWDKNSJSA-UHFFFAOYSA-N 318.352 1.548 10 10 DDCE COc1ccc(O)c(CNC(=O)C[C@@H]2CCOC[C@@H]2OC)c1 825838649 DNWCGCSYNOHYKL-NHYWBVRUSA-N 309.362 1.459 10 10 DDCE O=C(OCCn1nc2ccccn2c1=O)c1cc(O)cs1 732354131 FBFLNAMQVHWKHY-UHFFFAOYSA-N 305.315 1.120 10 10 DDCE CNS(=O)(=O)C[C@H]1CCCN1Cc1cc2c(cc1O)CCC2 749972730 UOYYYKFIGXZPOG-OAHLLOKOSA-N 324.446 1.395 10 10 DDCE CCN(CCC(N)=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 922053543 DPZJIBNUNOGCPQ-GFCCVEGCSA-N 306.410 1.721 10 10 DDCE Cc1c(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1C 793406400 BOBULZJPUNYXAY-UHFFFAOYSA-N 312.307 1.143 10 10 DDCE CN1CC[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)C1 891247092 HGLHPZBYVPFDJR-NVXWUHKLSA-N 318.465 1.423 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)CCC(=O)NC2)c1 798980640 WKSSVEHDGZTFOI-MGPLVRAMSA-N 306.362 1.494 10 10 DDCE Cc1nc([C@@H]2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)n[nH]1 1162028697 GXZLVHXTXPUUDT-KTLBGCOUSA-N 314.345 1.554 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)[C@@H](CO)NC(=O)OC(C)(C)C 1887716768 BVQOMAULPYRFJF-SECBINFHSA-N 301.347 1.031 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cc3c(O)ncnc3cn2)c1 1161662215 MWAPMIGXCREBMC-UHFFFAOYSA-N 310.313 1.674 10 10 DDCE O=S1(=O)CC[C@@H](Cc2nccn2Cc2ccccc2O)C1 82736932 XZMOEAKHSLNMQQ-LBPRGKRZSA-N 306.387 1.614 10 10 DDCE O=C1CCN(C(=O)Cc2ccc(O)c(O)c2)CCCCCCN1 1170814520 CLAJEXVLHQOQNS-UHFFFAOYSA-N 320.389 1.549 10 10 DDCE CN1CCN(c2ccc(CN3CC[C@H](O)C3(C)C)cc2F)CC1 1323997574 QJOREHGQPFJISS-KRWDZBQOSA-N 321.440 1.923 10 10 DDCE COc1cc(O)ncc1C(=O)NCCc1ccc(O)c(O)c1 1294912104 AQYYRHXSEYJTDS-UHFFFAOYSA-N 304.302 1.180 10 10 DDCE CC(=O)NCC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1543714380 LDOKVNVAUGELFW-UHFFFAOYSA-N 306.362 1.015 10 10 DDCE Cc1ccc(O)c(CNC(=O)CN2C(=O)c3ccccc3C2=O)c1 1557552511 DZVDCNJJWWUGFJ-UHFFFAOYSA-N 324.336 1.613 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)[C@@H]2CCCN2C)cc1C 1498024086 YHQBRTLGKBHTIH-HOCLYGCPSA-N 319.449 1.692 10 10 DDCE Cc1c[nH]c(CNC(=O)Cc2ccc(O)c(O)c2)c(C)c1=O 1639541885 HSKZGRDAYFFYEB-UHFFFAOYSA-N 302.330 1.262 10 10 DDCE NC(=O)COc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 1587928523 PECCYOWBBZNBND-UHFFFAOYSA-N 312.325 1.412 10 10 DDCE CNC(=O)c1ccccc1N(C)C(=O)/C=C(/C)c1cnccn1 1597683827 KSXDBFCAXDEQEU-BENRWUELSA-N 310.357 1.903 10 10 DDCE CN1CCCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CC1 13190495 NUOHQQROUCTVCO-GQCTYLIASA-N 305.334 1.835 10 10 DDCE CC1(C)C(=O)NCCN1c1ccc(CN)cc1C(F)(F)F 163715083 BSFKNARZTIMWTI-UHFFFAOYSA-N 301.312 1.879 10 10 DDCE C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC(C)(C)O1 157413790 KNPCPSYTQIEUNA-VIFPVBQESA-N 321.333 1.929 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H](C)[C@H](C)C(=O)O)CC2)cc1 322918800 KFTPALUCWDEEBE-OLZOCXBDSA-N 320.389 1.701 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](CO)N[C@H]1CCc2cccc(O)c21 1985775600 KSSVKRHJDFEPSW-STQMWFEESA-N 322.405 1.855 10 10 DDCE NCc1ccc(N2CCC[S@@](=O)CC2)c(Br)c1 321862071 MQVVFQGUVGHGHR-QGZVFWFLSA-N 317.252 1.867 10 10 DDCE C[C@@H](N)c1ccc(N(C)CC(C)(C)S(C)(=O)=O)cc1O 713990668 AODFCFBRGCXXNC-SNVBAGLBSA-N 300.424 1.671 10 10 DDCE CN(C[C@@H]1CCCS1(=O)=O)c1ccc(CN)c(Cl)c1 694090374 NJSUHHKIPVDWRE-LBPRGKRZSA-N 302.827 1.812 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3C[C@H]4C[C@H]3CO4)c(Br)cc21 387367606 RKEBZUMGUUJZOA-KJNMHVQDSA-N 324.178 1.379 10 10 DDCE O=C(NCc1c(O)cc(O)cc1O)[C@@H]1CCN1C1CCCC1 2064278544 SBHGNWBHRDUTLD-ZDUSSCGKSA-N 306.362 1.437 10 10 DDCE CN([C@H]1COCC1(F)F)S(=O)(=O)Cc1ccc(N)cc1 2197019090 SRGDZGGIOAJOFC-NSHDSACASA-N 306.334 1.065 10 10 DDCE NCc1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)c(Cl)c1 2087857820 DFGZQMRWGYXMPX-PHIMTYICSA-N 300.811 1.280 10 10 DDCE CC1CC(NCc2cccc(Br)c2O)(C(N)=O)C1 2223858606 AJENXCMTXPVLAF-UHFFFAOYSA-N 313.195 1.898 10 10 DDCE CC[C@@H](CNC(=O)NCc1cnc(SC)s1)C(=O)O 2269092570 IXMPVAKEKQMSCH-ZETCQYMHSA-N 303.409 1.775 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2CC[C@H](C(=O)O)C2)s1 2269118125 FMLFEQSNTYJMBZ-SFYZADRCSA-N 300.405 1.982 10 10 DDCE CSc1ncc(CN2C(=O)[C@@H](C(C)C)NC(=O)[C@H]2C)s1 2284665268 KUQYJSKSAPWHMJ-PSASIEDQSA-N 313.448 1.737 10 10 DDCE Cc1c(C=CC(=O)N2CC(=O)N(C)c3ccccc32)cnn1C 2304184685 GXBCRBCMXLECJO-UHFFFAOYSA-N 310.357 1.751 10 10 DDCE Cc1ccc(CNCc2nnn(C)n2)c(O)c1Br 2327798270 FCGOICSPROCIII-UHFFFAOYSA-N 312.171 1.276 10 10 DDCE CCN(CC)[C@@H](C)CNC(=O)NCc1cc(OC)ccc1O 114587181 ALGMDOPIWSPSPV-LBPRGKRZSA-N 309.410 1.930 10 10 DDCE CN(C)c1ccc(/C=C2/C(=O)N(CCCO)C(=O)N=C2O)cc1 33388014 PQHOJJFIDWYCPY-JLHYYAGUSA-N 317.345 1.437 10 10 DDCE COc1cc(N2CCN(CCC(C)=O)CC2)cc(OC)c1OC 183702520 CYNFOBJVKUDQEJ-UHFFFAOYSA-N 322.405 1.814 10 10 DDCE C[C@H]1OCC[C@H]1S(=O)(=O)NCCCSc1nccs1 135642251 MDEZEAZLKXPCJA-NXEZZACHSA-N 322.477 1.722 10 10 DDCE CN1CCCc2cc(CNC[C@@H]3CCCS3(=O)=O)ccc21 133968609 FRMOVCZLXXXURW-HNNXBMFYSA-N 308.447 1.736 10 10 DDCE COc1cc(Cl)c(N2CCC(N)(CO)CC2)c(OC)c1 2368106817 DJUMRNYVIYKRKU-UHFFFAOYSA-N 300.786 1.647 10 10 DDCE COc1ccc(OC)c2c1C(=O)c1c(O)ccc(O)c1C2=O 145484557 WCXKKSLEUONKJB-UHFFFAOYSA-N 300.266 1.890 10 10 DDCE COC[C@H](O)CN(C)c1ccc(CN)c(Br)c1F 231839547 KSPXKRDQOKFTSH-SECBINFHSA-N 321.190 1.490 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H](O)[C@H](O)C2)cc1Br 235515274 VAKBHHBHRUXHAW-CQFDHEJISA-N 301.184 1.011 10 10 DDCE CO[C@H]1C[C@@H](N(C)CC(=O)NCc2ccc(N(C)C)cc2)C1 298647100 XFFLVVXVWZNBMH-IYBDPMFKSA-N 305.422 1.478 10 10 DDCE O=[N+]([O-])c1cc(Cl)cc(CN2CCOC[C@H](O)C2)c1O 294934312 ZSVPPGAYELKVEU-SNVBAGLBSA-N 302.714 1.147 10 10 DDCE CC(C)N(Cc1cccc(Br)c1O)C[C@H](O)CO 817417821 QOVGKLZCNHRYNL-NSHDSACASA-N 318.211 1.718 10 10 DDCE OCCO[C@]1(CNCc2cc(Cl)c(F)cc2O)CCOC1 826941784 KMZSQEXACPOMPQ-AWEZNQCLSA-N 319.760 1.442 10 10 DDCE Cc1cc(CN2CC[C@](O)(C(N)=O)C2)ccc1N1CCCCC1 829141079 ZSEXCNDOEOCPOJ-GOSISDBHSA-N 317.433 1.407 10 10 DDCE COC(=O)[C@@H]1COCCN1C/C=C\c1ccc(N(C)C)cc1 835029865 UBEYKQVKKBRTGK-AWFCHZOYSA-N 304.390 1.640 10 10 DDCE CC(C)(C(=O)O)C(=O)NCc1ccc(N2CCOCC2)cc1 844253302 ZVDRZQHQSRVCHZ-UHFFFAOYSA-N 306.362 1.250 10 10 DDCE O=C(CN1CCN(C2CC2)C1=O)NCc1cc(Cl)ccc1O 855023127 ROHUCJVWCGHUOG-UHFFFAOYSA-N 323.780 1.562 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 854947593 BGXHQQBMPFGZFE-IUODEOHRSA-N 318.421 1.132 10 10 DDCE C[C@@H](N[C@H]1CNOC1)c1cc(Br)c(F)cc1O 925870029 SMCHWCIHSIFOPD-RQJHMYQMSA-N 305.147 1.848 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCC[C@@H](O)C(F)F)c1 866442326 JQVHCBGIIZLRKT-QPUJVOFHSA-N 303.305 1.846 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cn3nccc3C)C2)cc1 862158177 CKIFIKWBRQOMLJ-CQSZACIVSA-N 314.389 1.595 10 10 DDCE CCOC(=O)[C@@H]1NC(=O)N([C@@H](C)c2ccc(N(C)C)cc2)C1=O 761576111 LUIGMUVGLYPBRM-GXFFZTMASA-N 319.361 1.297 10 10 DDCE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cc(C)ccc1O 876135672 QINYLECVRBTDNM-BXUZGUMPSA-N 322.361 1.078 10 10 DDCE Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H](O)[C@@H](C)O)cc1 871122910 PJPPMJNKBSBQMX-CZUORRHYSA-N 302.374 1.566 10 10 DDCE Cc1cc(Cl)cc(CN2CCC[C@H]2CS(N)(=O)=O)c1O 775696399 KHXYGTPFEUEDLJ-LBPRGKRZSA-N 318.826 1.607 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNC2CCC(C(N)=O)CC2)c1O 775011457 KJYKUNBWKIKWDG-UHFFFAOYSA-N 323.349 1.443 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](CO)CC1CCOCC1 1139483453 KCYISKUFBGHWPZ-CQSZACIVSA-N 323.389 1.182 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCOCC1 784890759 XHTRREOPLNHGGB-MRXNPFEDSA-N 318.417 1.956 10 10 DDCE COc1cc(C)cc(CN[C@@H]2C(=O)NCC23CCOCC3)c1O 895764790 JDYGRVNUZYAQCI-OAHLLOKOSA-N 320.389 1.094 10 10 DDCE CC(C)(C)OC(=O)NCC[C@H](F)C(=O)N1CC(N=[N+]=[N-])C1 1885561899 XYAZMZVSEAVZGO-VIFPVBQESA-N 301.322 1.760 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(CO)cc1 1154024319 ANUKCEGCDNTKEJ-LLVKDONJSA-N 301.342 1.951 10 10 DDCE CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(O)c(O)c1 1962353195 JBBZBYXPTSKBHE-UHFFFAOYSA-N 310.350 1.742 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CC(SC(F)F)C2)cc1 1887061489 UNAJAUMJQZCSJR-UHFFFAOYSA-N 308.375 1.739 10 10 DDCE O=C(O)[C@H]1CCN1Cc1cc(Br)cc(F)c1O 1963604182 ONBQRBNGHQGYEI-SECBINFHSA-N 304.115 1.953 10 10 DDCE C[C@H](CC(N)=O)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 1440716263 VSUBKFKTBULMHN-CYBMUJFWSA-N 303.406 1.757 10 10 DDCE O=C(Cc1nc(C2CC2)n[nH]1)NCc1ccc2cccnc2c1O 1469249578 NFSMILPEEKMIMJ-UHFFFAOYSA-N 323.356 1.795 10 10 DDCE O=C(NCc1cn2ccsc2n1)c1c(F)ccc(O)c1O 1609512203 ICSQMMWRIAYBKS-UHFFFAOYSA-N 307.306 1.876 10 10 DDCE Nc1ncnc2cc(C(=O)NCc3ccc(O)cc3O)ccc12 1639444238 CQROOPLWXWWKTC-UHFFFAOYSA-N 310.313 1.553 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](Cn2ccnn2)C1 1631137501 FJVHPSWCQDJWSB-ZDUSSCGKSA-N 316.361 1.171 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1snc(O)c1Cl 1570463659 VXFZWQBCYDMYTH-UHFFFAOYSA-N 300.723 1.843 10 10 DDCE C[C@]1(CO)C[C@H](O)CN1C(=O)c1cc2cc(O)c(O)cc2s1 1585124697 DWCAMYROXJFWMP-BJOHPYRUSA-N 323.370 1.270 10 10 DDCE Nc1ccc(Cc2ccc(NC(=O)[C@H]3C[C@H](O)CN3)cc2)cc1 1866039649 BGZFWKCQGLQNLF-DLBZAZTESA-N 311.385 1.521 10 10 DDCE O=C(c1ccc(O)c(O)c1)N1CCC2(C1)CC1(C2)OCCO1 1917314245 XOUKFNSHNHROOO-UHFFFAOYSA-N 305.330 1.467 10 10 DDCE CCS(=O)(=O)N(C)CCN[C@H](C)c1cc(F)ccc1O 1926354712 BZXAOZRRPHXBHO-SNVBAGLBSA-N 304.387 1.463 10 10 DDCE CC(C)(C)OC(=O)NOCCCNC(=O)Cc1ccc(N)cc1 1977685456 UWHXWMNUHMDISV-UHFFFAOYSA-N 323.393 1.774 10 10 DDCE CC(C)(C)OC(=O)NCc1n[nH]c(=NCc2ccc(N)cc2)o1 1994103458 DSGIJGDAYOCPIS-UHFFFAOYSA-N 319.365 1.711 10 10 DDCE NCc1cc(F)c(N2C[C@H]3COC[C@@H]32)cc1Br 2013474713 HXCOQQWBESIUDF-UFBFGSQYSA-N 301.159 1.882 10 10 DDCE C[C@H]1C[C@](NCCCN=[N+]=[N-])(C(N)=O)CN1Cc1ccccc1 309961948 AOVMKCHTDBCQKF-XJKSGUPXSA-N 316.409 1.795 10 10 DDCE CCCN1CCC[C@@H](C(=O)NCc2c(O)cc(O)cc2O)C1 2064809673 NRAPAUOODNXKEO-LLVKDONJSA-N 308.378 1.542 10 10 DDCE CN(c1ccc(N)cc1)S(=O)(=O)CCC(F)(F)C(=O)O 2178765669 LBSOPZAOUOUYHP-UHFFFAOYSA-N 308.306 1.145 10 10 DDCE COCCN(Cc1ccc(Br)cc1O)C1CNC1 2042134454 LDWCWQFNPFKDQH-UHFFFAOYSA-N 315.211 1.575 10 10 DDCE OCc1ccc(N2CCC[C@@H]2[C@H](O)CO)c(Br)c1 2059215770 AJIRVEMWDWRODH-CHWSQXEVSA-N 316.195 1.263 10 10 DDCE CC(C)(C)OC(=O)N[C@H](COc1nnc(=N)[nH]n1)C1CCCC1 2210654757 ZCBYWIICJYGBEH-SNVBAGLBSA-N 324.385 1.141 10 10 DDCE CCS(=O)(=O)CCN(C)c1ccc(CNC)c(OC)c1 2204554811 PHRNSITWUHDOLD-UHFFFAOYSA-N 300.424 1.286 10 10 DDCE O=C1Nc2cc(N3C[C@@H](O)C[C@@H](F)C3)c(Cl)cc2[C@@H]1O 2234660054 MANZXRBXRGJNBJ-LTMDPNIMSA-N 300.717 1.235 10 10 DDCE COc1ccc(N(C)[C@@H](C)CCS(C)(=O)=O)c(CO)c1 2236001415 FYSTVRRLULSRIX-NSHDSACASA-N 301.408 1.447 10 10 DDCE COC(=O)NC[C@H](C)NCc1cc(Br)ccc1O 2258237178 MUSSMQGZYXVKRJ-QMMMGPOBSA-N 317.183 1.989 10 10 DDCE CO[C@@H]1[C@@H](O)C[C@H]1NCc1c(O)cccc1Br 2249802192 DSFMEXPZUUMDNM-USWWRNFRSA-N 302.168 1.393 10 10 DDCE Cc1cccc(CNS(=O)(=O)C2CC3(C2)OCCO3)c1O 2263517129 MMKAIYKYYQGFKX-UHFFFAOYSA-N 313.375 1.026 10 10 DDCE COC[C@H](NCc1ccc(C)c(Br)c1O)C(N)=O 2327792716 NEUARSKKWMDTFF-VIFPVBQESA-N 317.183 1.053 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(Cl)c1 2336349034 CRKZFCUIQIJXEK-IYYTYJHQSA-N 300.811 1.593 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCOC3(CCOCC3)C2)c1 178595575 FKDCBUYMGAQOOJ-UHFFFAOYSA-N 308.334 1.682 10 10 DDCE COc1ccc(N2CCN(C(=O)N[C@@H](C)[C@H](C)OC)CC2)cc1 188895279 ICCHBSRXJBSRAO-KBPBESRZSA-N 321.421 1.950 10 10 DDCE CNC(=O)Cc1nc(CN(C)c2ccc3c(c2)OCO3)cs1 121425658 WHMRCTKIWXLXJQ-UHFFFAOYSA-N 319.386 1.797 10 10 DDCE C[C@H]1CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C[C@@H](C)N1C 228815190 KNVKZWXDSAPIKZ-TVLCNXBWSA-N 308.813 1.821 10 10 DDCE CN(Cc1ccccc1)S(=O)(=O)NCc1ccc(N)cc1 36288644 IZSTZGVHJVLUKL-UHFFFAOYSA-N 305.403 1.735 10 10 DDCE CCNCc1ccc(N2CCNC(=O)C2)c(Br)c1 233530145 OAHUVCKMZQDTLD-UHFFFAOYSA-N 312.211 1.495 10 10 DDCE Cc1cc(Cl)cc(CN2CCN(C(=O)[C@@H](C)O)CC2)c1O 271870995 SESLRWQPONGGKU-LLVKDONJSA-N 312.797 1.379 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC(CC(N)=O)C2)c([N+](=O)[O-])c1 280209274 KAYBDFYMUBKLNY-HWKANZROSA-N 319.317 1.093 10 10 DDCE CCOC(=O)CN1C(=O)/C(=C/c2cn(C)cn2)c2ccccc21 800794595 KSRHRCZFCROWFE-RIYZIHGNSA-N 311.341 1.870 10 10 DDCE CNC(=O)[C@H]1CN(Cc2cc(Cl)c(F)cc2O)CCO1 293505773 BULFTALQAPDUKV-GFCCVEGCSA-N 302.733 1.132 10 10 DDCE COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C)[C@H](C)N)C2)cc1 818654625 CXSBXXXNNBURDN-MELADBBJSA-N 320.437 1.556 10 10 DDCE CN(C)C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 814872384 VNLIWLYAEQOXHW-SNVBAGLBSA-N 320.349 1.314 10 10 DDCE CCCOc1ccccc1NC[C@H](O)CN1CCN(C)CC1 819397966 HZFYKZISZJVLNP-HNNXBMFYSA-N 307.438 1.496 10 10 DDCE Cc1ccc([C@@H](C)NC[C@]2(CO)COCCN2C)c(O)c1C 903278150 FCWMNXDPERAMSV-PBHICJAKSA-N 308.422 1.353 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)CCc2ccnn2C)cc1 832284034 GPGVRUNDMHZKLH-MRXNPFEDSA-N 315.421 1.235 10 10 DDCE COC1CCN(c2ccc(CN3CCOC[C@H](O)C3)cc2)CC1 830638342 BHNMXTXJVKDBKB-QGZVFWFLSA-N 320.433 1.495 10 10 DDCE CN1CCC2(CC1)CN(C(=O)c1cccc(O)c1O)CCO2 844094958 RVXLNNKLOQQLFD-UHFFFAOYSA-N 306.362 1.035 10 10 DDCE C[C@H]1CC[C@@H](C)CN1C(=O)C(=O)NCCc1ccc(N)cc1 842235105 CUOLDFJNLWSNNR-OLZOCXBDSA-N 303.406 1.575 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NOCC(F)F)C2)cc1 852291243 SCVCGGGZBYPCLG-SNVBAGLBSA-N 315.320 1.770 10 10 DDCE Cc1nnc(NNC(=S)Nc2ccc3c(c2)OCO3)n1C 863206445 SEXYINJVGXTHGS-UHFFFAOYSA-N 306.351 1.166 10 10 DDCE NC(=O)c1cccc(N)c1N[C@H]1CCCC2(CC1)OCCO2 1876459947 VQOJBHSAQOBBEF-NSHDSACASA-N 305.378 1.855 10 10 DDCE CN1CCCc2cc(CNC(=O)NCc3cn(C)nn3)ccc21 783010347 BWSQQIWIWSBMMZ-UHFFFAOYSA-N 314.393 1.197 10 10 DDCE COC(=O)[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 895789875 DNFABWVTUPWJET-QMMMGPOBSA-N 321.354 1.948 10 10 DDCE CCn1nccc1CN(CCO)Cc1cc(OC)ccc1O 793305549 RGASBRINXOEFOM-UHFFFAOYSA-N 305.378 1.612 10 10 DDCE C[C@H]1C[C@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 1323745530 IJMWCGLFOLSHHB-ZFWWWQNUSA-N 313.401 1.451 10 10 DDCE C[C@@H]1CC(C)(C)CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1261866953 RNIZXSHDHJMUAL-LLVKDONJSA-N 302.374 1.881 10 10 DDCE COCCOC[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C1 1444951421 HBDVNPHAXNBPMR-CYBMUJFWSA-N 309.362 1.152 10 10 DDCE COC(=O)c1cc(F)cc(C(=O)NCc2ccc(O)c(O)c2)c1 1445901647 OLGMWWMDRBLKMX-UHFFFAOYSA-N 319.288 1.954 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](c2cc(O)n[nH]2)C1 1452724641 GBFJMAZYBCGDMO-MORRKMRCSA-N 315.329 1.556 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc(O)n1C 1539468582 PBNAORJIKNGNDD-UHFFFAOYSA-N 314.389 1.998 10 10 DDCE O=C(NCc1c(O)cccc1F)c1ccc2oc(O)nc2n1 1638862566 BNMVOLCKYGTTEN-UHFFFAOYSA-N 303.249 1.703 10 10 DDCE CN1CC[C@H](CNCc2cc(Br)ccc2O)C1=O 1967742600 IGYXAQLLPILFAD-SECBINFHSA-N 313.195 1.723 10 10 DDCE C[C@H](O)[C@H](CO)NCc1cc(Br)cc(F)c1O 2005854609 NSMMVBYBJDLQOQ-WKEGUHRASA-N 308.147 1.125 10 10 DDCE C[C@]12CSC[C@@H]1CN(S(=O)(=O)Cc1ccc(N)cc1)C2 2144751774 GXDXEIRUUJPBIX-JSGCOSHPSA-N 312.460 1.784 10 10 DDCE Cn1c(C(=O)NCCN=[N+]=[N-])cnc1CNC(=O)OC(C)(C)C 1985103580 XPKWHLBPZJYOLQ-UHFFFAOYSA-N 323.357 1.485 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CC[C@H]3CF)c(Br)cc21 2063222467 GLJMMVNHAMMJTA-UPONEAKYSA-N 314.158 1.949 10 10 DDCE COCCN(c1ccc(CO)c(Br)c1)C1COC1 2073279709 FQSUSZSKZNIUAD-UHFFFAOYSA-N 316.195 1.793 10 10 DDCE NCc1ccc(N2CC[C@@H]3C(=O)NC[C@@H]3C2)c(Br)c1 2100950656 VIWFAGNNJAUWBJ-MNOVXSKESA-N 324.222 1.480 10 10 DDCE CN[C@@H](C)c1ccc(N(C)C2CS(=O)(=O)C2)cc1Cl 2095904758 RNIUQYKTWBPBCN-VIFPVBQESA-N 302.827 1.854 10 10 DDCE COc1ccc(Br)c(CN2CC[C@@H]2C(=O)O)c1O 2220455514 FDSXZOCLODHJOV-SECBINFHSA-N 316.151 1.822 10 10 DDCE CC(C)NCCS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236168465 PRHRMEBSWQEMIK-UHFFFAOYSA-N 303.340 1.040 10 10 DDCE COc1ccc(C=C2C(=O)NC(=O)N(C)C2=O)c2ccccc12 2296740196 KQSJBIDKFUHTHR-UHFFFAOYSA-N 310.309 1.940 10 10 DDCE Cc1ccc(CN2C[C@H](O)[C@@H](F)C2)c(O)c1Br 2307565443 NOUQSDLGATYXPI-UWVGGRQHSA-N 304.159 1.978 10 10 DDCE CS(=O)(=O)[C@H]1CC[C@@H](Sc2ncc(CCN)s2)C1 2319423719 VKRHDHNSPZSDTR-SCZZXKLOSA-N 306.478 1.702 10 10 DDCE CN(Cc1cc(F)ccc1O)[C@@H]1CC[C@H](S(C)(=O)=O)C1 2361664397 IEMGQJRTTNHWHL-OLZOCXBDSA-N 301.383 1.929 10 10 DDCE Cc1cc(Cl)cc(CN2CC[C@H](NS(C)(=O)=O)C2)c1O 180334463 DIUVGOTWEMAOJA-LBPRGKRZSA-N 318.826 1.478 10 10 DDCE COC(=O)[C@]1(NCCN=[N+]=[N-])CCN(Cc2ccccc2)C1 380899905 FOMVWFSMAWPXGP-HNNXBMFYSA-N 303.366 1.704 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1O 246540010 VNAIUJREOZDKOB-GXTWGEPZSA-N 321.421 1.929 10 10 DDCE CCN[C@H](C)c1ccc(N(C)[C@H]2CCS(=O)(=O)C2)cc1O 250305040 RIXOEHRKUYZBSO-YPMHNXCESA-N 312.435 1.686 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N(C2CCC(C)CC2)C1 808516707 OJRSKQBOYJIEJD-YXMLORGKSA-N 309.362 1.115 10 10 DDCE O=C1CC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)CCN1 815008867 QNUNJQPUUOGYCK-OAHLLOKOSA-N 315.417 1.819 10 10 DDCE C[C@@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)CCS1 137082815 HSQUTQIQGQXNCQ-LLVKDONJSA-N 316.448 1.415 10 10 DDCE CC[C@H](O)CC(=O)NCc1cccc(Br)c1O 831159818 ZJFBCPYEFDLAEZ-VIFPVBQESA-N 302.168 1.932 10 10 DDCE COC[C@@](C)(O)CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 836405740 LJQAWOUTQIWPQT-GUYCJALGSA-N 323.437 1.900 10 10 DDCE COC[C@H]1C(=O)N[C@@H](c2cc(OC)cc(C(C)(C)C)c2O)N1C 849182227 DYUOBKZNILUSIH-DZGCQCFKSA-N 322.405 1.774 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)Cc2ccnn2C)cc1 844856523 PQSLNKWKYTZOGY-UHFFFAOYSA-N 316.405 1.566 10 10 DDCE O=C(c1cccc(O)c1O)N1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 857279581 ASLSPYYCCDPFQI-NQBHXWOUSA-N 307.346 1.100 10 10 DDCE Cn1cc([C@@H](CO)NCc2ccc(N3CCOCC3)cc2)cn1 756994036 KELOHJJYPHTHAR-QGZVFWFLSA-N 316.405 1.080 10 10 DDCE C[C@]1([C@@H]2CCCN(C(=O)c3cccc(O)c3O)C2)COC(=O)N1 928023822 QSUKPKBZXFDJDK-QLJPJBMISA-N 320.345 1.449 10 10 DDCE Cc1cc(C)c(O)c(CN2CCN(CCC(=O)N(C)C)CC2)c1 754739416 BULKCDMIISXITD-UHFFFAOYSA-N 319.449 1.605 10 10 DDCE NS(=O)(=O)C[C@H]1CCCN1Cc1cc(Cl)ccc1O 769427456 KFKRPCGRFXGQLL-LLVKDONJSA-N 304.799 1.299 10 10 DDCE CO[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)[C@@](C)(CO)C1 931472327 YCTDCXFWGDAHOF-ZWKOTPCHSA-N 320.433 1.495 10 10 DDCE CC(C)(CNCc1c(O)ccc(Cl)c1F)CS(N)(=O)=O 865813784 GQLAEGOMDQMUBL-UHFFFAOYSA-N 324.805 1.589 10 10 DDCE Oc1cc(F)c(Cl)cc1CN1CCN(c2nccnn2)CC1 862443983 RQJMMAAQZXYTQI-UHFFFAOYSA-N 323.759 1.692 10 10 DDCE CCn1c([C@H]2CCCN2)cc(=O)n2nc(-c3cnccn3)cc12 71468392 XIYGOFCLBHPJCH-LLVKDONJSA-N 310.361 1.397 10 10 DDCE CN(C)c1ccc(OCc2cn(C[C@@H]3CCOC3)nn2)cc1 871744795 ACBLKIBEMZFDHX-ZDUSSCGKSA-N 302.378 1.960 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)NCCOC(C)(C)C)cc1 785422940 QOLLCEPUCOLEHO-UHFFFAOYSA-N 321.421 1.300 10 10 DDCE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)Cc1ccc(O)c(O)c1 1138221978 ZOFCLIXRGSXPHK-JTQLQIEISA-N 324.377 1.670 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 897824282 YXBIECCQXQDIMK-MYJAWHEDSA-N 305.355 1.623 10 10 DDCE CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1142892115 OLXGLYZNPRGANC-VHSXEESVSA-N 319.365 1.882 10 10 DDCE CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2ccc(F)cc2O)C1 1964575676 ISYHAZLBSAAVPF-CHWSQXEVSA-N 301.383 1.977 10 10 DDCE C[C@@H]1C[C@H]1CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 1327970947 IGFFLRKQAACLPH-PWSUYJOCSA-N 307.369 1.280 10 10 DDCE COC(=O)/C=C\c1ccc(N2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])c1 1324210381 MHDHXUDPFOHDLD-MFBWXBCUSA-N 318.329 1.742 10 10 DDCE CCC(CO)(CO)NCc1cc(Br)cc(F)c1O 715746542 RBAMMJBHRKSLLB-UHFFFAOYSA-N 322.174 1.517 10 10 DDCE CCCCN(CCOC)C(=O)C(=O)N1Cc2cccc(O)c2C1 1261858337 NWYCDMVNFMZZIQ-UHFFFAOYSA-N 320.389 1.510 10 10 DDCE Cc1occc1C(=O)NCC(=O)NCc1cc(Cl)ccc1O 1452939821 AIEBPEQFUFNDOQ-UHFFFAOYSA-N 322.748 1.993 10 10 DDCE Cc1nc(C)c(CC(=O)NCc2cc(O)ccc2O)c(O)n1 1471661537 RWEMUJWEIPHEGW-UHFFFAOYSA-N 303.318 1.069 10 10 DDCE CCO/C=C\C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC 1611050250 XFIWATATAGRNFM-KRZKBDHCSA-N 323.345 1.238 10 10 DDCE CCCN1CCN(C(=O)Cc2ccc(O)c(O)c2)C(C)(C)C1=O 1639101575 ZKANUWRYMPCZSF-UHFFFAOYSA-N 320.389 1.500 10 10 DDCE O=C(NCc1ccccc1O)c1ccccc1Cn1ccnn1 1636057719 IWUQAPTTYVTLOE-UHFFFAOYSA-N 308.341 1.962 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCCC2=NNC(=O)C2)cc1 1641915974 BYWPANOEIQBXLV-UHFFFAOYSA-N 316.321 1.235 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCC(=O)N1CCCCCC1 1583777216 GLCFJUWRJCPHHE-UHFFFAOYSA-N 320.389 1.549 10 10 DDCE CC/C(C)=C\C(=O)NC[C@@H](O)CNCc1ccc(OC)c(C)c1 1667814231 LFOHCJGPSYQASB-RQPMMQJISA-N 320.433 1.927 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2cc(=O)c(OC)c[nH]2)c1 1595806560 PAHZMUSBTDACFU-SECBINFHSA-N 318.329 1.589 10 10 DDCE COC[C@@H]1CC[C@@H](Sc2nccs2)C[C@]1(N)C(N)=O 2127250917 KDNZAFUBYAWPJL-YGOYTEALSA-N 301.437 1.233 10 10 DDCE Nc1ccc(CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)O)cc1 1865955550 ZCJYGTCEDOEYIQ-OAHLLOKOSA-N 316.332 1.763 10 10 DDCE CCc1cccc(CN[C@H](C)CS(=O)(=O)N(C)C)c1O 1967713511 OEXXTJZLQROCNU-LLVKDONJSA-N 300.424 1.324 10 10 DDCE OC[C@@H]1CO[C@@H](CNCc2cccc(Br)c2O)C1 1967894924 IENSGICSTGAVDL-MWLCHTKSSA-N 316.195 1.642 10 10 DDCE Oc1ccc(Br)cc1CNC[C@H]1COC[C@@H]1O 1948500756 GIVAVAVMVQKZQV-CABZTGNLSA-N 302.168 1.252 10 10 DDCE CNCC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1952200571 WFBLIPLSDYARQZ-LLVKDONJSA-N 324.377 1.322 10 10 DDCE CC(C)OC(C)(C)CNS(=O)(=O)Cc1ccc(N)cc1 2149415311 YIFJIAKFVMAOPY-UHFFFAOYSA-N 300.424 1.892 10 10 DDCE CS(=O)(=O)C[C@@H]1CN(c2ccc(CO)cc2Cl)CCO1 2143669488 GMLKGBGTVKKCCH-NSHDSACASA-N 319.810 1.082 10 10 DDCE C[C@@H]1C[S@](=O)CCN1c1ccc(CN)cc1Br 2004536720 BGGNBWKBZCVIQC-VVVCHXIZSA-N 317.252 1.865 10 10 DDCE CNCc1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)c(Cl)c1 2145069986 FLPOHNVCIGJLFY-FZMZJTMJSA-N 314.838 1.683 10 10 DDCE NC(=O)[C@@H]1CC[C@@H](NCc2c(O)cccc2Br)C1 2029530369 SKDGXVDFNLTKBS-RKDXNWHRSA-N 313.195 1.898 10 10 DDCE Oc1ccc(CCN=c2ccc(Br)n[nH]2)cc1O 2031086179 IJBXVLMEIGDSES-UHFFFAOYSA-N 310.151 1.727 10 10 DDCE C[C@@H](N)c1ccc(N2CC(OCCO)C2)cc1Br 2034843933 QVHIGNADACBFAD-SECBINFHSA-N 315.211 1.666 10 10 DDCE CCCN(c1ccc(N)cc1)S(=O)(=O)CCC(=O)OC 63115441 QQPYOECXYNUPCL-UHFFFAOYSA-N 300.380 1.378 10 10 DDCE CCn1nnc(Br)c1NCc1cc(N)ccc1O 2038779559 PCLAPTHWJRBHGV-UHFFFAOYSA-N 312.171 1.960 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@H](C)CCS(C)(=O)=O)cc1O 2160760842 SRYRGFMEDMWSCM-MNOVXSKESA-N 301.408 1.705 10 10 DDCE CCOC(=O)CCCS(=O)(=O)N1CC[C@H](CN=[N+]=[N-])C1 2178730441 ZNDYHVDCCCROEO-SNVBAGLBSA-N 304.372 1.292 10 10 DDCE COc1cc(Cl)cc(CNC[C@]2(CO)CCCO2)c1O 2194010700 DIVSHWQXEYHDKQ-AWEZNQCLSA-N 301.770 1.685 10 10 DDCE Oc1cccc(Br)c1CNCC[C@@H]1COC[C@H]1O 2048710728 NRBPTHNFYLPWNU-NOZJJQNGSA-N 316.195 1.642 10 10 DDCE CSc1ncc(CNC(=O)CC[C@]2(N)CCOC2)s1 2269205793 ZXPLXMGLKBZOSG-LBPRGKRZSA-N 301.437 1.379 10 10 DDCE CSc1ncc(CN2CC(=O)N[C@@H](C(C)(C)C)C2=O)s1 2284666807 QLJKQRUWNTVKMN-SNVBAGLBSA-N 313.448 1.738 10 10 DDCE CSc1ncc(CNC[C@@H](O)COC[C@H]2CCCO2)s1 2284638933 SOEPTDKZZWLASF-GHMZBOCLSA-N 318.464 1.511 10 10 DDCE Cc1ccc(CN[C@@H]2CN(C)C[C@@H]2O)c(O)c1Br 2327621212 LALWNUHUATZEAP-MNOVXSKESA-N 315.211 1.228 10 10 DDCE Nc1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 8031009 NPTXZHPQAFPYPE-UHFFFAOYSA-N 317.414 1.780 10 10 DDCE O=C(Nc1ccccc1N1CCOCC1)c1cc(O)nc(O)c1 170223389 CNNXNOTWJDJQSR-UHFFFAOYSA-N 315.329 1.582 10 10 DDCE Oc1cc2c(cc1CN1CCC[C@@H]1CN1CCOCC1)OCO2 173371769 CVGQQLBPBZCYGE-CQSZACIVSA-N 320.389 1.418 10 10 DDCE COc1cccc(CNC(=O)NCCN2CCCCC2)c1O 172541609 DVSYGXHBKNAMML-UHFFFAOYSA-N 307.394 1.686 10 10 DDCE CCCNC(=O)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O 65239709 MLVZZHQWUNDQNA-UHFFFAOYSA-N 324.377 1.951 10 10 DDCE Cc1cc(N2CCC[C@@H](NCc3ccccc3O)C2=O)n(C)n1 173854695 JCZGWMAPWREYFF-CQSZACIVSA-N 314.389 1.719 10 10 DDCE O=C(/C=C/c1ccccc1)NCCN1C(=O)CSC1=S 49756531 ZHFHZMUFZFKRFM-VOTSOKGWSA-N 306.412 1.676 10 10 DDCE Nc1ccc(CCNS(=O)(=O)CCc2ccccn2)cc1 40675691 NGGFDWNIAAJZDE-UHFFFAOYSA-N 305.403 1.368 10 10 DDCE C[C@H](N)c1ccc(N2CCCNC(=O)C2)c(Br)c1 87884398 YONBERQMENYLQU-VIFPVBQESA-N 312.211 1.795 10 10 DDCE Cn1cc(N2CCC[C@@H](NC(=O)Cc3ccc(N)cc3)C2)cn1 237689373 ZSFBGEKTYVBFOK-OAHLLOKOSA-N 313.405 1.330 10 10 DDCE COC[C@H](C)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255554014 CVGJVSLCGPMDTQ-GTBONMDNSA-N 318.417 1.935 10 10 DDCE CC(=O)c1cc(F)cc(CN2CC(F)(F)C[C@@H]2CO)c1O 368795353 FROHVLCEGKOYDP-LLVKDONJSA-N 303.280 1.936 10 10 DDCE CCOC(=O)c1cc(C(=O)NCc2cccc(OC)c2O)on1 825703333 QKOHHNRONBUPOW-UHFFFAOYSA-N 320.301 1.496 10 10 DDCE CN(C)c1ccc(CNC[C@H]2CCCCN2CCO)cc1F 824583828 RRLPGEDHPWOMPD-OAHLLOKOSA-N 309.429 1.828 10 10 DDCE CC[S@](=O)CCNC(=O)NCc1ccc(N(C)C)cc1C 735112493 QBVBRCXZOGNYIU-NRFANRHFSA-N 311.451 1.629 10 10 DDCE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)Nc1ccc(N)cc1 841295994 MGQANLBPTNBKJC-KBPBESRZSA-N 321.377 1.843 10 10 DDCE C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H](C)N 841729803 JQRBFPCGXXZDBY-OLZOCXBDSA-N 306.410 1.058 10 10 DDCE Nc1ccc(NC(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1 841300077 SLKRVIAPBPLBBI-UHFFFAOYSA-N 316.283 1.507 10 10 DDCE COC(=O)/C=C\c1ccc(N2C[C@@H]3CNC[C@@H]3C2)c([N+](=O)[O-])c1 842292651 GHPIDAXNCCYKTB-VFWWJLHSSA-N 317.345 1.437 10 10 DDCE C[C@@H]1OC[C@@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@H]1C 926855729 WAFIXJPOMXUDMA-RLFYNMQTSA-N 303.450 1.951 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H]3CCCS(=O)(=O)C3)C2)cc1 850487147 GLIYLWWIGWXUJX-UONOGXRCSA-N 324.446 1.441 10 10 DDCE C[C@H](C(=O)NCc1ccc2cccnc2c1O)[C@@H]1CCC(=O)N1 862025555 XONYEZNMAOLFQP-GWCFXTLKSA-N 313.357 1.471 10 10 DDCE Cc1cc(C)c([C@@H](C)NC[C@]23COCCN2C(=O)OC3)c(O)c1 866522616 XOEOWLLHUMBVAJ-CXAGYDPISA-N 320.389 1.881 10 10 DDCE CCN(CC)c1ccc(CN2CCO[C@H](CC(N)=O)C2)cc1 862535589 SJCGIJVAZYWXLL-MRXNPFEDSA-N 305.422 1.609 10 10 DDCE COC(=O)C12CCC(CC1)N2C(=O)c1ccc(C)c(O)c1O 870735613 WSTZATXNOPZBSR-UHFFFAOYSA-N 305.330 1.716 10 10 DDCE CN(C(=O)CNC(=O)Cc1ccc(O)c(O)c1)C1CCCCC1 1137544527 FLAUKZXGZJVZNX-UHFFFAOYSA-N 320.389 1.548 10 10 DDCE COC[C@H](C)NC(=O)NCc1cc(Br)ccc1O 794804105 LMEKNMQWTSHNDB-QMMMGPOBSA-N 317.183 1.989 10 10 DDCE COc1nsc(OC)c1C(=O)NCc1cccc(O)c1O 1153797555 BEYGCVYESYOHID-UHFFFAOYSA-N 310.331 1.502 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CNC(=O)C1 1312864398 BWTZKRXVCNCCKX-GFCCVEGCSA-N 305.378 1.450 10 10 DDCE C[C@H](CN(C)C(=O)c1ccc(N=NC(N)=O)cc1)NCCCO 1507159669 UBGIXNVICKVNAX-LLVKDONJSA-N 321.381 1.282 10 10 DDCE CN(C)C(=O)CN(C(=O)/C=C/c1cn(C)cn1)c1ccccc1 1360899539 NTVQDAAXHLBGJD-MDZDMXLPSA-N 312.373 1.555 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1[C@@H](O)C(F)(F)F 1545998378 OXTNHNFPEXRVKP-TVQRCGJNSA-N 319.279 1.555 10 10 DDCE Cn1cncc1C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 1649142532 YOSSFJJVVVBQJR-UHFFFAOYSA-N 319.336 1.990 10 10 DDCE CCOC(OCC)[C@@H](C)NC(=O)c1c(F)ccc(O)c1O 1641933021 MXQXWHDKPWIPCK-MRVPVSSYSA-N 301.314 1.754 10 10 DDCE O=C(C[C@H]1CC(=O)NC1=O)NCc1c(O)ccc2ccccc12 1597743194 YAMVKHYHXKVQOO-NSHDSACASA-N 312.325 1.214 10 10 DDCE 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1.948 10 10 DDCE CC[C@@H](NC[C@]1(OCCO)CCOC1)c1ccc(C)cc1O 850510965 YTGUCVNLFKLFNT-NVXWUHKLSA-N 309.406 1.909 10 10 DDCE C[C@@H]1OC[C@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@H]1C 926855727 WAFIXJPOMXUDMA-MPGHIAIKSA-N 303.450 1.951 10 10 DDCE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)c1ccc(CO)cc1Cl 696847829 PGRYXIYEHZLOAT-OLZOCXBDSA-N 319.810 1.081 10 10 DDCE CC(C)C[C@@]1(C(=O)NCc2ccc(O)c(O)c2)CCNC1=O 866769090 HSYIYOYDXQAKBF-INIZCTEOSA-N 306.362 1.266 10 10 DDCE CO[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccc(O)cc1 765985589 KADCJHFTSXBCLE-MRXNPFEDSA-N 317.341 1.850 10 10 DDCE NS(=O)(=O)C[C@@H]1CCCN1Cc1cc(Cl)ccc1O 769427458 KFKRPCGRFXGQLL-NSHDSACASA-N 304.799 1.299 10 10 DDCE CC(C)S(=O)(=O)CC(=O)NCc1ccc2cccnc2c1O 862028436 ZGGWJCXFNHDFJX-UHFFFAOYSA-N 322.386 1.380 10 10 DDCE O=C1OC[C@@]2(CN[C@@H]3CCc4cccc(O)c43)COCCN12 866521301 LLMLDDAUSYCDBM-MLGOLLRUSA-N 304.346 1.190 10 10 DDCE Cc1nccc(N2CCN(C(=O)c3cc(O)cs3)CC2)n1 760453248 BHBJDKMPWDZKTE-UHFFFAOYSA-N 304.375 1.515 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CCc3cnn[nH]3)C2)cc1 869228286 GSPAFQHLEIMXAV-ZDUSSCGKSA-N 315.377 1.141 10 10 DDCE COc1cc(NC(=O)NCc2ccc(N(C)C)cc2)nn1C 775909556 SKFPGHDZGHIEQX-UHFFFAOYSA-N 303.366 1.816 10 10 DDCE CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 871205851 LQBRYJPZPBEJGF-QGZVFWFLSA-N 321.373 1.981 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@H](C)C(N)=O)cc1Br 711086389 GGLBMWIJJRJCEM-SFYZADRCSA-N 301.184 1.812 10 10 DDCE CN1CCc2cc([C@H](NC(=O)OC(C)(C)C)C(N)=O)ccc21 698402390 ZOZYYPVTUOYTCL-ZDUSSCGKSA-N 305.378 1.730 10 10 DDCE COC[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCO1 1293604098 GJQWEXIDFLMZBU-LBPRGKRZSA-N 306.322 1.336 10 10 DDCE C[C@H]1COCCN1CCNC(=O)c1ccc(N=NC(N)=O)cc1 1464955512 XNYKOPGUEBATGW-NSHDSACASA-N 319.365 1.300 10 10 DDCE CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1545863681 XMYPPEYNBCGGRL-RYUDHWBXSA-N 317.349 1.494 10 10 DDCE O=C(NCc1c(O)ccc2ccccc12)C1=CCS(=O)(=O)C1 1639387135 FKJIOEFTLSYGFV-UHFFFAOYSA-N 317.366 1.516 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1nnc([C@H]2CCCO2)s1 1643057301 AWFNKUHHDXMZCO-LLVKDONJSA-N 321.358 1.982 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)C2CCS(=O)(=O)CC2)C1 1912153559 CLUJMHFCHYTUPA-JTQLQIEISA-N 300.384 1.360 10 10 DDCE CC(C)(C(=O)NCc1cccc(O)c1O)n1cc([N+](=O)[O-])cn1 1651173280 XEOUDSKEEXNKOI-UHFFFAOYSA-N 320.305 1.254 10 10 DDCE CS(C)(=O)=NCCNCc1cc(Br)ccc1O 1913505532 IWUGEPYIJYJLIK-UHFFFAOYSA-N 321.240 1.972 10 10 DDCE CCN1C(=O)C(=CNc2ccccc2O)C(=O)N(CC)C1=O 5585541 OLKFWUPMYXQKJY-UHFFFAOYSA-N 303.318 1.519 10 10 DDCE CCOC(=O)NS(=O)(=O)N(CC)Cc1ccc(N)cc1 162756518 VYZAVTLHPKGABS-UHFFFAOYSA-N 301.368 1.082 10 10 DDCE C[C@H]1SCC[C@@H]1NS(=O)(=O)CCOc1ccc(N)cc1 313328030 KVHLNOSXFMODGF-MFKMUULPSA-N 316.448 1.461 10 10 DDCE Oc1c(Br)cccc1CN1C2COCC1COC2 399836373 FRLLBOLXHUJGCK-UHFFFAOYSA-N 314.179 1.754 10 10 DDCE COCC1CCN(C(=O)c2cnn3c(O)cc(C)nc23)CC1 2064229170 WKBQAYFBYHIGMT-UHFFFAOYSA-N 304.350 1.242 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@H](N4CCCC4)C3)c2n1 2064436024 VSODXDRNGXSAPL-GFCCVEGCSA-N 315.377 1.054 10 10 DDCE C[C@H]1CC[C@H](CS(=O)(=O)NCc2ccc(O)cc2O)O1 2064596598 LACUAMMDQGRNCW-JOYOIKCWSA-N 301.364 1.085 10 10 DDCE CC(C)O[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@H]1CN=[N+]=[N-] 2179601426 CCYGFIRUZQGISC-QJPTWQEYSA-N 302.400 1.352 10 10 DDCE CC1(C)[C@@H](O)[C@@H](O)CN1c1ccc(CN)cc1Br 2060874973 LXWQWEGZYSRQCC-RYUDHWBXSA-N 315.211 1.228 10 10 DDCE O=S1(=O)C[C@@H]2[C@@H](CCN2c2ccc(CO)cc2Cl)C1 2094927211 NFIIPOUBCGTFJN-GXFFZTMASA-N 301.795 1.456 10 10 DDCE C[C@H]1[C@H](C)S(=O)(=O)CCN1c1ccc(CN)cc1Cl 2113894470 NGKAKPIVWKQSEO-UWVGGRQHSA-N 302.827 1.811 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H](C)N[C@@H](C)C2)s1 2269273263 MTMATXQSEQHVMU-IUCAKERBSA-N 300.453 1.757 10 10 DDCE CNCc1ccc(N2CC3(CCC(=O)N3)C2)cc1Br 2229700565 ADMPOFLOHVTIDD-UHFFFAOYSA-N 324.222 1.637 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@@H]2CC[C@@H]2O)s1 2256963376 DDJZGMZHNLWODF-CBAPKCEASA-N 308.450 1.055 10 10 DDCE CSc1ncc(CNC(=O)C23CC(C(=O)O)(CO2)C3)s1 2284551107 KIINJIOWQBIOBL-UHFFFAOYSA-N 314.388 1.115 10 10 DDCE CCN1C(=O)NC(=O)C(=Cc2cc(C)n(CCOC)c2C)C1=O 2297617338 CLMUVJGAVMKNDN-UHFFFAOYSA-N 319.361 1.233 10 10 DDCE CS(=O)(=O)[C@H]1CC[C@@H](Sc2ncc(C(=N)N)s2)C1 2319452802 ACPBLHDTGFZELL-RQJHMYQMSA-N 305.450 1.485 10 10 DDCE COCC[C@@](C)(O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1 178365356 CNQPUFAMFNDBAL-MAUKXSAKSA-N 322.449 1.961 10 10 DDCE C[C@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccc(F)cc1F 60865416 MWCAVFJNHHFZIT-QMMMGPOBSA-N 323.299 1.550 10 10 DDCE CCN(C(=O)CCc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1 20186634 BHYAEMSVQCOWFG-AWEZNQCLSA-N 310.419 1.237 10 10 DDCE CCOC(=O)C1CCN(C(=O)COc2ccc(N)cc2)CC1 316151005 RRCIHPLKJMZDBG-UHFFFAOYSA-N 306.362 1.449 10 10 DDCE N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCCc1cccs1 49585193 VWZPWGFYEGWJCJ-LBPRGKRZSA-N 307.371 1.815 10 10 DDCE COc1cc(Cl)c(N(C)CC(C)(CO)CO)c(OC)c1 2368116434 GZBLGZWBVIOGRW-UHFFFAOYSA-N 303.786 1.784 10 10 DDCE CN(CC(=O)NC1CC1)c1ccc(CN)c(Br)c1 228148094 WVSTUGBHIGNGGO-UHFFFAOYSA-N 312.211 1.623 10 10 DDCE Cc1cc(C(=O)NC[C@H]2CNC[C@@H]2O)c(C)n1-c1ccccc1 262146291 HMCAVEQSSBCKGS-PBHICJAKSA-N 313.401 1.404 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnc(NC(=O)OC(C)(C)C)cn1 808535632 TTXCAAREVOEVAW-UHFFFAOYSA-N 323.305 1.139 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(N2CCCC2=O)ccc1F 808521163 JARLNKNLLVDMJL-UHFFFAOYSA-N 307.277 1.267 10 10 DDCE CCOc1ccc(CN2CCO[C@H](C(=O)C3CC3)C2)c(O)c1 811502422 SUQAOSOEMMDURL-INIZCTEOSA-N 305.374 1.971 10 10 DDCE C[C@@H](NC(=O)N1CCC[C@@](O)(CO)C1)c1ccc(N(C)C)cc1 838559696 OSIHNNRKBNPRKT-DYVFJYSZSA-N 321.421 1.342 10 10 DDCE Nc1ccc(CCNC(=O)N2CCC[C@@]3(CCNC3)C2)cc1 841955750 LXVHFXZYSNWFTI-KRWDZBQOSA-N 302.422 1.596 10 10 DDCE COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)C1 840416354 KYYYKKLXKVRAGI-WCFLWFBJSA-N 321.373 1.734 10 10 DDCE COc1ccc(O)c(CNC(=O)NC[C@H]2C[C@@H](N(C)C)C2)c1 847316867 NCTWGJCWCADDLG-BJHJDKERSA-N 307.394 1.540 10 10 DDCE COCCCN(C)CCNC(=O)NCc1c(O)cccc1F 920421444 OIEGGYREXPHFGT-UHFFFAOYSA-N 313.373 1.299 10 10 DDCE COCc1nc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n(C)n1 853803699 GARHTRCVCRCQLG-NSHDSACASA-N 317.393 1.519 10 10 DDCE C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[C@@H](C)O1 853872354 QJJNJNAYAGKHQL-ZJUUUORDSA-N 321.333 1.929 10 10 DDCE C[C@@H](NC[C@@]1(OCCO)CCOC1)c1cc(F)cc(F)c1O 850506053 BRDHSGCYOPUQFB-BMIGLBTASA-N 317.332 1.489 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C(=O)O)C(C)C)C2)cc1 852955025 ZZXWVXNJBODMNA-IUODEOHRSA-N 320.389 1.747 10 10 DDCE Cn1c2c(ccc1=O)[C@H](NC(=O)c1cc(O)cs1)CCC2 855031590 ZUFOYHOFPALSQX-LLVKDONJSA-N 304.371 1.960 10 10 DDCE Cn1ncc(NC(=O)C(=O)NCc2ccccc2O)c1C1CC1 770728411 FGEBXZYNUDIWEO-UHFFFAOYSA-N 314.345 1.258 10 10 DDCE Cn1cc(/C=C/C(=O)N2Cc3cnnn3Cc3ccccc32)cn1 787544448 RZYCFQYEXIANDO-VOTSOKGWSA-N 320.356 1.620 10 10 DDCE C[C@H](NCc1cc(Cl)ccc1O)[C@H]1CCS(=O)(=O)C1 895156253 UECOCRIZDXIMHO-UWVGGRQHSA-N 303.811 1.958 10 10 DDCE C[C@@H](NC(=O)[C@@]1(C)CCC(=O)NC1)c1ccc(N(C)C)cc1 798501066 FRZWPSXPZIEOMW-PXAZEXFGSA-N 303.406 1.846 10 10 DDCE Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(O)cc1O 1142533677 PXYUOZQQQAEVEE-UHFFFAOYSA-N 303.274 1.518 10 10 DDCE CS(=O)(=O)[C@H]1CCC[C@@H](NCc2cccc(F)c2O)C1 1963496444 FKBZYWPHGIDOSL-NEPJUHHUSA-N 301.383 1.977 10 10 DDCE C[C@@H]1C[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 1323745529 IJMWCGLFOLSHHB-UKRRQHHQSA-N 313.401 1.451 10 10 DDCE CN(C)C[C@@H](CO)NCc1cc(Br)cc(F)c1O 715748157 ZRABDRFYOPEFJJ-JTQLQIEISA-N 321.190 1.306 10 10 DDCE O=C(CNC(=O)c1cccc(F)c1)NCc1ccc(O)cc1O 1299570565 JRTRSZUGKDYYFR-UHFFFAOYSA-N 318.304 1.283 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1ccnc2[nH]c(O)nc12 1294914146 WRIUBUSWMKLMIW-UHFFFAOYSA-N 314.301 1.047 10 10 DDCE CN(C)C(=O)OCCNC(=O)c1ccc(N=NC(N)=O)cc1 1452973478 QUINDSITANITIQ-UHFFFAOYSA-N 307.310 1.277 10 10 DDCE CC1CCN(c2ccc(CNC(=O)C3(O)COC3)cc2)CC1 1628608959 RNFMCQWEVQBOCU-UHFFFAOYSA-N 304.390 1.300 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H](C1CC1)[C@H](CO)C1CC1 1569427890 SEBTWHBHYLRKLU-DYVFJYSZSA-N 305.374 1.554 10 10 DDCE Cc1cccc(-n2cc(C(=O)NCc3cc(O)ccc3O)nn2)c1 1643882398 VDAWXLVMYUESFI-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE CCOC(=O)NS(=O)(=O)N(Cc1ccc(N)cc1)C(C)C 162758602 AXFCDEGDFOJUQS-UHFFFAOYSA-N 315.395 1.470 10 10 DDCE CN(CC(=O)O)C(=O)CCNCc1cc(Cl)ccc1O 1857865047 SUYOZRROXBHIIJ-UHFFFAOYSA-N 300.742 1.068 10 10 DDCE C[C@@H](NC[C@@H]1CCS(=O)(=O)N1C)c1cc(F)ccc1O 1967490829 RWWRXFKSJLYBLG-KOLCDFICSA-N 302.371 1.216 10 10 DDCE CN1[C@@H](CNCc2cccc(Cl)c2O)CCS1(=O)=O 1967749567 WNBRVDVLJPIJKJ-SNVBAGLBSA-N 304.799 1.169 10 10 DDCE CN1C(=O)CNC[C@@H]1c1c(O)cccc1NC(=O)OC(C)(C)C 1952928461 AEHSKBVWNVHRQW-LLVKDONJSA-N 321.377 1.842 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccccc2O)[C@H](O)C1 1972707666 RJTZTUUCJJSUGP-UKRRQHHQSA-N 322.405 1.852 10 10 DDCE O=c1nc(CNCc2cccc(Br)c2O)[nH]o1 2005022701 RFTCQVPGRZZIBN-UHFFFAOYSA-N 300.112 1.121 10 10 DDCE CNCc1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)c(Cl)c1 2151285846 LWSAAQJUEVXAQU-FZMZJTMJSA-N 314.838 1.683 10 10 DDCE CCN[C@H](c1ccccc1O)[C@@](C)(O)[C@@H](C)S(C)(=O)=O 2170628797 AHYYHBRYCAASRX-HONMWMINSA-N 301.408 1.227 10 10 DDCE Oc1ccc(Br)cc1CN[C@H]1CCOC[C@H]1O 706777426 BMYISNIZZZQIGR-CMPLNLGQSA-N 302.168 1.394 10 10 DDCE NCc1cc(F)c(N2CCN3CC[C@H]2C3)cc1Br 394268461 SPDFLPMNKQEOFN-JTQLQIEISA-N 314.202 1.941 10 10 DDCE CNCc1ccc(N(C)CC[S@@](C)=O)cc1Br 399094117 PSWLPTXIOJTHIC-QGZVFWFLSA-N 319.268 1.983 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2C[P@](C)(=O)C[C@H]2O)c1O 2177840303 VHZZLECMYMBKSA-HZNYWTHISA-N 319.725 1.880 10 10 DDCE Cn1nnc(Br)c1C(=O)c1cccc2c1NCC2 2045555247 FAZCVLARMIOOKO-UHFFFAOYSA-N 307.151 1.777 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2C[C@@H](O)[C@H](OC)C2)c1O 2187372459 HOWPFISWEUTFCR-IJLUTSLNSA-N 301.770 1.682 10 10 DDCE Oc1ccc(CN[C@H]2CCCC3(CC2)OCCO3)c(O)c1O 2095748695 RWHDGUUKDSIYSG-LBPRGKRZSA-N 309.362 1.969 10 10 DDCE COc1ccc(Br)c(CN(C)CCCN)c1O 2214869061 UNHIEIFKECKIIZ-UHFFFAOYSA-N 303.200 1.944 10 10 DDCE CSc1ncc(CNC(=O)[C@H](N)[C@H]2CC[C@H](C)O2)s1 2269261662 JDSAQTCHUKYYGI-FXBDTBDDSA-N 301.437 1.376 10 10 DDCE C[C@@H](Sc1ncc(C(F)(F)F)s1)C(=O)NCC(=O)O 2231157166 BSSHCYWOQUEDSC-SCSAIBSYSA-N 314.310 1.843 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@H]2CC[C@H](CO)C2)s1 2269092793 KSWFXXMMGQZMCE-WPRPVWTQSA-N 322.477 1.445 10 10 DDCE COC(=O)C1=C(C)N(C)C(=O)C1=Cc1cccc([N+](=O)[O-])c1 2294034071 IYDMJQPSBZSAQX-UHFFFAOYSA-N 302.286 1.897 10 10 DDCE CSc1ncc(CN=c2ccc(C(=O)N(C)C)n[nH]2)s1 2284506275 DFTVCODRQRHOBK-UHFFFAOYSA-N 309.420 1.391 10 10 DDCE CN(CC(=O)NC(C)(C)C)C(=O)C=Cc1ccc(O)c(O)c1 2307981890 BOSROBSWKXBMHG-UHFFFAOYSA-N 306.362 1.484 10 10 DDCE CN[C@H](C)C(=O)NCc1ccc(C)c(Br)c1O 2307564586 ATNJPMQNJICDMU-MRVPVSSYSA-N 301.184 1.687 10 10 DDCE Nc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1F 20001409 HVOPMMRWKYFHSY-UHFFFAOYSA-N 310.306 1.937 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN(C(C)=O)C2)c1 175263355 ACNAKVJQWODRPQ-CMPLNLGQSA-N 306.362 1.446 10 10 DDCE COc1ccc(O)c(CNC(C)(C)CCN2CCN(C)CC2)c1 186692756 GGULNZOBKHNCQG-UHFFFAOYSA-N 321.465 1.907 10 10 DDCE C[C@@H]1CCC[C@H](CS(=O)(=O)Nc2ccc(O)c(N)c2)O1 2364234018 GYMHBBIWXWGDEL-MWLCHTKSSA-N 300.380 1.674 10 10 DDCE CN(Cc1nncn1C)c1ccc(CN)c(Br)c1 385642871 VHJKETXCKFANET-UHFFFAOYSA-N 310.199 1.673 10 10 DDCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)NC1(CO)CC1 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301.298 1.839 10 10 DDCE [N-]=[N+]=NC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)C1 1912149994 NVVODWBJDBGMHO-UHFFFAOYSA-N 301.259 1.417 10 10 DDCE Cn1cnc2cc(CNC(=O)Cc3ccc(O)c(O)c3)ccc21 1652043222 YVYGCXOMSOQCFF-UHFFFAOYSA-N 311.341 1.843 10 10 DDCE COc1ccc(CN[C@H](CO)CNC(=O)C2CCCC2)cc1C 1676492377 DWJWNFFRNVBWNJ-INIZCTEOSA-N 320.433 1.761 10 10 DDCE NCc1ccc(N2CCOC[C@H]2C(=O)NC2CC2)cc1Cl 159318860 HDFWWVDSLHJGGK-AWEZNQCLSA-N 309.797 1.283 10 10 DDCE O=C1Nc2cc(N3CC[C@@](F)(CO)C3)c(Cl)cc2[C@H]1O 1917135766 HQJZMGGWRRNJJD-YPMHNXCESA-N 300.717 1.236 10 10 DDCE C[C@H]1CS(=O)(=O)CCN1c1ccc([C@@H](C)N)cc1Cl 228762472 XHOYXGUZCYFIJH-VHSXEESVSA-N 302.827 1.983 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2C=CS(=O)(=O)C2)c1O 229052705 QQNAZWBCBCKWIY-JTQLQIEISA-N 303.767 1.455 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)OCCN 1951696087 KAMFGIQEHJOQCL-ZDUSSCGKSA-N 312.366 1.466 10 10 DDCE CN1C(=O)CN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(N)c1O 1953022948 YKKOGUWFIZAYPT-LBPRGKRZSA-N 321.377 1.725 10 10 DDCE CC(C)(C)OC(=O)NC1CC(NC(=O)Cc2ccc(N)cc2)C1 1977690758 WCZYRYLCFSXTMP-UHFFFAOYSA-N 319.405 1.983 10 10 DDCE Cn1nnc(Br)c1CN1CCC[C@H]1CN=[N+]=[N-] 2009441670 NTTAYZPCXJDGLC-ZETCQYMHSA-N 300.164 1.852 10 10 DDCE C[C@@H](O)c1cc(F)c(N(C)[C@@H]2CCS(=O)(=O)C2)c(F)c1 2194507317 BECCJKOJCZMSLR-PSASIEDQSA-N 305.346 1.641 10 10 DDCE O=C1N[C@@H]2CN(Cc3ccc(Br)cc3O)C[C@H]2O1 2056806766 DOAVBGVJPGPCFX-MWLCHTKSSA-N 313.151 1.447 10 10 DDCE OCc1ccc(N2CC[C@H](O)C[C@@H]2CO)cc1Br 2080492457 RHOUYJFLZACKIB-NEPJUHHUSA-N 316.195 1.263 10 10 DDCE CSc1ncc(CN[C@@H]2CN(C(C)(C)C)C[C@@H]2O)s1 2269094514 IOQBAYHCSPKTMB-MNOVXSKESA-N 301.481 1.798 10 10 DDCE CSc1ncc(CN=c2[nH]c(F)ncc2[N+](=O)[O-])s1 2269285994 VEIWPLQXOWFCGN-UHFFFAOYSA-N 301.328 1.736 10 10 DDCE CSc1ncc(CN=c2[nH]cnc(F)c2[N+](=O)[O-])s1 2269284999 NLYKOGQCHKMSQA-UHFFFAOYSA-N 301.328 1.736 10 10 DDCE COc1cc(OC)c(N2CC[C@@H](N)[C@@H](CO)C2)cc1Cl 2285854438 OHZBKZMNQBEXLJ-MWLCHTKSSA-N 300.786 1.503 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@@H](Sc2ncc(CCN)s2)C1 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10 10 DDCE Oc1ccc(Br)cc1CNCCN1CCOCC1 76275384 LMRNVXYRMOXBFU-UHFFFAOYSA-N 315.211 1.577 10 10 DDCE CN1CCCN(C(=O)NCc2ccc(N(C)C)cc2)CC1=O 189208509 KQXFRMQCFGVCLE-UHFFFAOYSA-N 304.394 1.126 10 10 DDCE O=S1(=O)CCC[C@](O)(CNCc2c(O)cccc2Cl)C1 2368424555 HBZXECLKEUSSNJ-ZDUSSCGKSA-N 319.810 1.075 10 10 DDCE NCc1ccc(N2CC[C@H](S(=O)(=O)C(F)F)C2)cc1F 2368733277 ZRHDJKXQRKHMRY-JTQLQIEISA-N 308.325 1.501 10 10 DDCE Nc1ccc(CC(=O)N2CCC[C@H](CN3CCOCC3)C2)cc1 237888742 QWWLIIXRQRELBH-MRXNPFEDSA-N 317.433 1.382 10 10 DDCE CC(=O)N(C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(N)cc1 243989819 SEGMBDMVQWKOCG-UHFFFAOYSA-N 312.329 1.953 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 808495735 PPVQNBQUQYRDKB-SNVBAGLBSA-N 323.732 1.394 10 10 DDCE COc1cccc(CN[C@H](C)CS(=O)(=O)C(C)C)c1O 2170586452 UQBKMDMVEBRVRB-LLVKDONJSA-N 301.408 1.702 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@@H]2CN(C)C(=O)N2)cc1F 826943652 XFBVCEWGYSRYQS-ZDUSSCGKSA-N 322.384 1.312 10 10 DDCE O=C(O)[C@H]1C[C@@H](S(=O)(=O)Nc2ccc(O)cc2Cl)C1 723273137 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CO[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1OC 1634589299 YXCNLXPEUUZJBN-TXEJJXNPSA-N 306.322 1.335 10 10 DDCE COC(=O)c1cccc(C(=O)NCc2c(O)cccc2O)n1 1639289125 KYHLAPNKILCYSE-UHFFFAOYSA-N 302.286 1.209 10 10 DDCE Cn1ncc2c1CCCN(C(=O)Cc1ccc(O)c(O)c1)C2 1639097933 OUIHTJIJAKQJRO-UHFFFAOYSA-N 301.346 1.349 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCO[C@@]2(CCCOC2)C1 1640451688 JILUDTORNHEMRV-INIZCTEOSA-N 307.346 1.048 10 10 DDCE CN1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 1645241723 VUAASBUFIWQUCL-GFCCVEGCSA-N 303.366 1.919 10 10 DDCE Cc1ccc([C@@H](C)N[C@@H](C)CS(=O)(=O)N(C)C)c(O)c1 1967465460 MEVHJXYWQBUGHV-NWDGAFQWSA-N 300.424 1.631 10 10 DDCE CCS(=O)(=O)N(C)CCNCc1ccc(OC)c(C)c1 1926345690 QBXSCEOVACFPGZ-UHFFFAOYSA-N 300.424 1.375 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC(F)(F)C(F)F)cc1 230672502 XYRMZYAOXDSBQC-UHFFFAOYSA-N 300.277 1.589 10 10 DDCE C[C@@H](CC(N)=O)N(C)c1ccc(CN)c(Br)c1 1946067746 MOJGICACPKIGHI-QMMMGPOBSA-N 300.200 1.608 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CN(c2ccc(N)cc2)CC[C@H]1CO 1984273486 WTBXWJZUFZUIOH-WFASDCNBSA-N 321.421 1.981 10 10 DDCE OC[C@@H](O)C1(NCc2c(O)cccc2Br)CC1 2015911331 UOKCPGRMHGXIAU-LLVKDONJSA-N 302.168 1.130 10 10 DDCE C[C@H](N)c1ccc(N2CCC(S(C)(=O)=O)CC2)c(F)c1 312893922 XFEKHGUPYAWAHE-JTQLQIEISA-N 300.399 1.859 10 10 DDCE NCc1cc(F)c(N2CC3(C2)OCCC[C@H]3O)cc1Cl 2177379583 ZSLUSGIFQLLLCB-CYBMUJFWSA-N 300.761 1.668 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@H](CO)CC(F)(F)F)cc1 717708469 MDPPSUPSAOIFFP-JTQLQIEISA-N 312.313 1.002 10 10 DDCE CC=C[C@@H](O)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 2059304625 USQKITNUZZCPAD-CQSZACIVSA-N 308.353 1.420 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3C[C@@]4(C)COC[C@@]4(C)C3)c2n1 2062569521 QPNQSHIQIRJZHK-IYBDPMFKSA-N 316.361 1.242 10 10 DDCE CCS(=O)(=O)C[C@@H](C)N(C)c1ccc([C@@H](C)O)c(O)c1 2170553954 LUEJADKLEYUJAB-GHMZBOCLSA-N 301.408 1.705 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc1O 2170657783 RYTIPXQJWQCIHF-VWYCJHECSA-N 301.408 1.703 10 10 DDCE CO[C@@H]1C[C@H](O)CN(c2ccc(CO)cc2Br)C1 2046677272 XYONTLDPYUUPMF-WDEREUQCSA-N 316.195 1.527 10 10 DDCE CSc1ncc(CNC[C@H](O)CN2CCCCC2)s1 2208444978 FAKMIXQBOLSPCJ-NSHDSACASA-N 301.481 1.801 10 10 DDCE CCNCc1cc(OC)ccc1N(C)CCS(C)(=O)=O 2235964669 UUGQIFIXWAIBOP-UHFFFAOYSA-N 300.424 1.286 10 10 DDCE NC(=O)[C@@H]1CCN(C(=O)/C=C\c2cnccn2)c2ccccc21 492285692 ACNYEDYOOGTFLI-GEXIGZQTSA-N 308.341 1.496 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)N(C)c2cnccc2C)c1 492644748 TXSVCGCTTLZMMP-SNAWJCMRSA-N 310.357 1.821 10 10 DDCE Cc1ccc(CN(C)[C@H](C)C(N)=O)c(O)c1Br 2307446570 LTGHHENQLWFXIX-MRVPVSSYSA-N 301.184 1.769 10 10 DDCE CC[C@H](C)N/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 103764906 OGAKDKXSGLVRCZ-GJSJWPQCSA-N 301.346 1.537 10 10 DDCE CC(C)NCc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1 62085595 XGGATUZSDRECPF-UHFFFAOYSA-N 311.451 1.266 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c1O 175646072 JMAIBVSSYIMEQC-NWDGAFQWSA-N 324.396 1.621 10 10 DDCE COc1cccc(CN2CCOC[C@@H]2c2nc(C)no2)c1O 188480744 JJNFROCVLCDIGI-GFCCVEGCSA-N 305.334 1.666 10 10 DDCE O=C(COc1ccccc1)NCCN1C(=O)CSC1=S 49755739 WFTNZBMJHJOEMN-UHFFFAOYSA-N 310.400 1.042 10 10 DDCE COc1cc(Cl)c(N2C[C@@H](O)C[C@@]2(C)CO)c(OC)c1 2368268952 DVWQKTZEPDXQPI-XPTSAGLGSA-N 301.770 1.679 10 10 DDCE CNC(=O)[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 92097952 WABJHDUANJNDIO-MRXNPFEDSA-N 303.406 1.234 10 10 DDCE O[C@@H](CNCc1ccc(N2CCCC2)cc1)Cn1cccn1 818954533 UTVKVNMLFHTPGP-KRWDZBQOSA-N 300.406 1.634 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Nc3ccnn3C)C2)cc1 822553896 OLIVRMUSVKXISA-LBPRGKRZSA-N 315.377 1.829 10 10 DDCE CN(C)c1ccc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cc1 825200336 CYWKOOLQJIWQJV-JKSUJKDBSA-N 308.447 1.904 10 10 DDCE C[C@@H](NC[C@]1(CO)COCCN1C)c1cc(F)cc(F)c1O 903280275 MJIPTACHCORTNQ-BMIGLBTASA-N 316.348 1.014 10 10 DDCE COc1ccc(CN[C@H]2CCN(C3CCOCC3)C2=O)cc1C 747622826 ZXCCSQSVNFVQIG-INIZCTEOSA-N 318.417 1.873 10 10 DDCE C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1CO 856781143 QUOPFJWDAUZSHX-UWVGGRQHSA-N 321.333 1.380 10 10 DDCE CC[C@H](NCC[C@H]1CNCCS1(=O)=O)c1ccccc1O 925791107 FFMVFAGUSPSJGA-JSGCOSHPSA-N 312.435 1.210 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)c2cn(C)c(O)n2)cc1 855021089 YZBOTJJUXYGDFH-UHFFFAOYSA-N 318.377 1.343 10 10 DDCE C[C@@H]1CC[C@@H](NCc2ccc(N(C)C)c(F)c2)CS1(=O)=O 850369002 RBHKNKGXDLCXTK-DGCLKSJQSA-N 314.426 1.947 10 10 DDCE CCOc1ccc(O)c(CNC[C@@]2(OCCO)CCOC2)c1 850358088 GJAFNRVIKYPTQJ-INIZCTEOSA-N 311.378 1.049 10 10 DDCE Cc1ccc(O)c([C@H](C)NCC(C)(C)CS(N)(=O)=O)c1 866571973 JURSTOMIXCPRAV-NSHDSACASA-N 300.424 1.666 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2 889380693 YWADPRFTDLKTAN-LJWFXCMDSA-N 303.358 1.634 10 10 DDCE COC(=O)c1c(CN[C@@H](C)C(=O)OC)c2cc(F)ccc2n1C 894564024 YVIHCHICXMVSOO-VIFPVBQESA-N 322.336 1.755 10 10 DDCE NC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(-c2ccccc2)ccc1O 895368000 MGDPYTHKWKHJEK-CVEARBPZSA-N 312.369 1.480 10 10 DDCE COc1cc(C)cc(CNC2CN(c3ccncn3)C2)c1O 895449425 IRLVNNWMWJBLBU-UHFFFAOYSA-N 300.362 1.478 10 10 DDCE O=C(NCc1cccc(Cl)c1O)c1cnn2c(=O)cc[nH]c12 1159041236 FOSLPHSHGHRYQJ-UHFFFAOYSA-N 318.720 1.312 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccccc1Cn1cncn1 1304053736 QYNYCUFBBOWJOW-UHFFFAOYSA-N 324.340 1.668 10 10 DDCE O=C(NCc1ccc(CCO)cc1)c1c(F)ccc(O)c1O 1161891855 ZKJDTRQODAQQAQ-UHFFFAOYSA-N 305.305 1.702 10 10 DDCE CN(Cc1c(O)cccc1Br)[C@H]1CCCNC1=O 1963337301 WPNZFKYFOWRRFX-NSHDSACASA-N 313.195 1.865 10 10 DDCE Cc1nc([C@H](NCCN=[N+]=[N-])C(N)=O)sc1Br 719301657 YVUUUVCVRSGVLQ-RXMQYKEDSA-N 319.188 1.640 10 10 DDCE COC(=O)c1ccc(NC(=O)c2cccc(O)c2O)cc1O 1632928990 UXXCPNPCYQSFQD-UHFFFAOYSA-N 303.270 1.842 10 10 DDCE CCOC(=O)CN(C(=O)Cc1ccc(O)c(O)c1)C1CCC1 1638178939 XBIJYGSOWWYUNO-UHFFFAOYSA-N 307.346 1.585 10 10 DDCE CNc1nccc(C(=O)NCc2ccc(O)c(O)c2)c1[N+](=O)[O-] 1595595260 AAPJZRNNHFDARO-UHFFFAOYSA-N 318.289 1.373 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCS[C@@H]2COCC[C@H]21 1596068807 QHLNZWNDYSCIRX-BXUZGUMPSA-N 309.387 1.373 10 10 DDCE CN(C)C(=O)c1cccc(NC=C2C(=O)OC(C)(C)OC2=O)c1 13627121 DLSFIAXXGCJITE-UHFFFAOYSA-N 318.329 1.520 10 10 DDCE C[C@H](O)c1ccc(N2CC(CO)(CO)C2)cc1Br 1914979860 JBANZYYQTRBGCH-VIFPVBQESA-N 316.195 1.293 10 10 DDCE C[C@@H](N)c1ccc(N(C)CCS(=O)(=O)N(C)C)c(Cl)c1 2151044978 QABJRAJTDYOVTI-SNVBAGLBSA-N 319.858 1.687 10 10 DDCE CC(C)(C)OC(=O)NC1CN(C(=O)CCc2ccc(N)cc2)C1 1977884445 JXWFSDZUHMKNQC-UHFFFAOYSA-N 319.405 1.937 10 10 DDCE [N-]=[N+]=NCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1F 42013239 JOSVNDKFBLHCOL-UHFFFAOYSA-N 303.275 1.713 10 10 DDCE O=C1CC[C@@H](CNCc2cc(Br)ccc2O)CN1 2041473588 AYUCTEBGRZSBET-VIFPVBQESA-N 313.195 1.771 10 10 DDCE O=C(O)c1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)on1 316142840 GLBPNYVJSQYTDV-UHFFFAOYSA-N 318.694 1.533 10 10 DDCE CS(=O)(=O)C1CCN(c2ccc(CN)cc2Cl)CC1 381889270 PUWZBBBXZGMBOF-UHFFFAOYSA-N 302.827 1.812 10 10 DDCE O=C1CC[C@H](NCc2cc(Br)cc(F)c2O)CN1 715817309 GUVXNBUGZAPJRH-VIFPVBQESA-N 317.158 1.662 10 10 DDCE COc1ncc(S(=O)(=O)Nc2ccc(O)c(F)c2)s1 388706880 GEKOOVWOQRDNRN-UHFFFAOYSA-N 304.324 1.797 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)C[C@@H]3CCCOC3)c2n1 2062720625 SGICWGFQLPYGOW-NSHDSACASA-N 304.350 1.242 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)[C@H]3CCN(C(C)C)C3)c2n1 2063117641 IHGVQAQYKKBUHT-LBPRGKRZSA-N 317.393 1.298 10 10 DDCE CO[C@@H]1CN(Cc2c(O)cccc2Br)C[C@@H]1N 1908009839 JHQHITHLFPULCV-CMPLNLGQSA-N 301.184 1.313 10 10 DDCE C[C@H](CNC(=O)CCOc1ccc(N)cc1)CC1(C)OCCO1 2191657978 FUESCZRYSABLER-ZDUSSCGKSA-N 322.405 1.943 10 10 DDCE CC1([C@@H]2CCCCN2C(=O)c2cc(O)nc(O)c2)OCCO1 2089570670 WNBBEJSJLFAGME-NSHDSACASA-N 308.334 1.251 10 10 DDCE NCc1ccc(N2C[C@@H](O)C[C@H](F)C2)c(Br)c1 2213904217 RBZDHRCKKXUMDV-UWVGGRQHSA-N 303.175 1.817 10 10 DDCE CCN=c1ncc(C(=O)NCc2cnc(SC)s2)c[nH]1 2284709989 GGYNCFPEUVWVQV-UHFFFAOYSA-N 309.420 1.439 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@@H]2CC[C@H](N)C2)s1 2269095153 LVMBQQILHCRBDV-BDAKNGLRSA-N 321.493 1.412 10 10 DDCE Cc1ccc(CN(C)[C@@H](C)C(N)=O)c(O)c1Br 2307446571 LTGHHENQLWFXIX-QMMMGPOBSA-N 301.184 1.769 10 10 DDCE CCCS(=O)(=O)N(C)Nc1ncc(C(=O)OCC)s1 2339735844 PUNJDCJXHMHRLN-UHFFFAOYSA-N 307.397 1.318 10 10 DDCE O=C1CC(=O)N(c2ccc(I)cc2)N1 820716 YUPHMEDSDAOAOG-UHFFFAOYSA-N 302.071 1.059 10 10 DDCE CC(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(c1)CCCN2C 57550316 FJCPVOUSHPOVNS-KRWDZBQOSA-N 315.417 1.696 10 10 DDCE C[C@@H](NCC1(C)OCCO1)c1ccc(N2CCOCC2)cc1 179565923 KFEOTGZPTUBCPF-CQSZACIVSA-N 306.406 1.937 10 10 DDCE CNC(=O)c1ccc(NCc2ccc(N3CC=CC3)cc2)nn1 301455741 WJJPNXYHIYCASP-UHFFFAOYSA-N 309.373 1.825 10 10 DDCE CC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733462 RQEDVRMKWJZXQD-KRWDZBQOSA-N 303.406 1.188 10 10 DDCE CN(Cc1cccc(F)c1O)[C@H]1CC[C@H](S(C)(=O)=O)C1 2361672619 RHZHYOBZOZIRAA-RYUDHWBXSA-N 301.383 1.929 10 10 DDCE CO[C@@H](CCS(C)(=O)=O)CN[C@H](C)c1ccccc1O 2364088321 YCSKECOCRXYZMR-NEPJUHHUSA-N 301.408 1.493 10 10 DDCE COc1ccc(N2CCC(NC(=O)CC[C@H](C)N)CC2)cc1 193309299 ZCXYBCVVNKGVQB-ZDUSSCGKSA-N 305.422 1.908 10 10 DDCE COc1cc(C(=O)NC2CCC3(CC2)OCCO3)cc(OC)n1 2166939073 RZSVRNUJSJLGOU-UHFFFAOYSA-N 322.361 1.514 10 10 DDCE COC[C@@H](O)CN[C@@H](C)c1cc(Br)cc(F)c1O 802310755 UFLNTTXDBPGHLZ-CBAPKCEASA-N 322.174 1.952 10 10 DDCE CN(C)c1ccc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)cc1 825200332 CYWKOOLQJIWQJV-CVEARBPZSA-N 308.447 1.904 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1n[nH]cc1F 900269628 QMZJECKNCLJBPD-UHFFFAOYSA-N 322.315 1.455 10 10 DDCE CCOc1ccc(O)c(CN2C[C@@H](C)N(CCO)C[C@H]2C)c1 841891858 QQDZWIVMKSGMJS-ZIAGYGMSSA-N 308.422 1.678 10 10 DDCE CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H]1CCN(C)C1 853244850 QBVWHAYLZVUVAA-INIZCTEOSA-N 304.438 1.988 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3nccnc3N)C2)cc1 855230016 DNJLBFQUTMDKDV-LLVKDONJSA-N 313.361 1.076 10 10 DDCE Nc1ccc(Cc2noc(CN3CCN(C4CC4)C3=O)n2)cc1 854134038 LVGYWQFCKLHUHR-UHFFFAOYSA-N 313.361 1.643 10 10 DDCE CN1C(=O)C(=Cc2ccnn2CC2CCC2)C(=O)N(C)C1=O 864363776 VCNSVSWSKGZGKO-UHFFFAOYSA-N 302.334 1.117 10 10 DDCE C[C@H](NC[C@@H]1CN=C(c2cnn(C)c2)O1)c1ccccc1O 931558159 QEFPNGRFJBFAAE-WCQYABFASA-N 300.362 1.622 10 10 DDCE Cn1ncc(CCC(=O)NCc2ccc3cccnc3c2O)n1 862026532 RKHCDDMLCKIFSM-UHFFFAOYSA-N 311.345 1.318 10 10 DDCE Cc1cc(Br)c(O)c(CN2C[C@@H](O)C[C@H]2CO)c1 776010329 RMUFQUPQEITSBS-QWRGUYRKSA-N 316.195 1.391 10 10 DDCE NCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 1088737681 UMCMAUJSJFJMRR-JXMROGBWSA-N 309.372 1.755 10 10 DDCE CCc1nc(CNC(=O)NCc2cccc(OC)c2O)n[nH]1 1229004444 XXPWUYMEQXNDPG-UHFFFAOYSA-N 305.338 1.081 10 10 DDCE C[C@H](NCCNS(=O)(=O)C1CC1)c1ccc(F)cc1O 1964502080 AHOYOINVLPQMRO-VIFPVBQESA-N 302.371 1.264 10 10 DDCE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)NCCCN=[N+]=[N-] 1963697575 DNCOJFBAUYFLSX-UHFFFAOYSA-N 323.357 1.619 10 10 DDCE COc1ccc2c(c1)NC1(CCNCC1)CN2[C@@H](C)C(=O)O 76931218 NXESMUYKFHPSGE-NSHDSACASA-N 305.378 1.522 10 10 DDCE COC(=O)[C@@H]1CCCN(c2ccc(OC)c3c2CCNC3)C1 82793138 MHTZIKHGFROGFX-GFCCVEGCSA-N 304.390 1.730 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Nc3ccnnc3)C2)cc1 1327863583 PRBSYIGXIQYPFM-CYBMUJFWSA-N 313.361 1.886 10 10 DDCE CN(c1ccc(CN)c(F)c1)[C@H]1CCCS(=O)(=O)CC1 694215973 VJUZQMFYJDFIMQ-LBPRGKRZSA-N 300.399 1.688 10 10 DDCE NCc1ccc(N2CC[C@H](CC(N)=O)C2)c(Br)c1 690765243 WTFRZUGLIPPIHP-SNVBAGLBSA-N 312.211 1.610 10 10 DDCE CCS(=O)(=O)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1352614671 HYBCCEAREDEYRU-UHFFFAOYSA-N 324.446 1.680 10 10 DDCE C[C@@H](NC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1O 1454809001 ZJVMTEBKIDWJDT-LLVKDONJSA-N 309.329 1.859 10 10 DDCE Cn1nnc(C(=O)Nc2c(-c3ccccn3)nc3ccccn23)n1 1524853528 LCDUWSQBUOOLBB-UHFFFAOYSA-N 320.316 1.172 10 10 DDCE COc1ccc(C=O)cc1C(=O)NCc1c(O)cccc1O 1472063586 NREIGWYBMFEIQB-UHFFFAOYSA-N 301.298 1.849 10 10 DDCE CNCc1ccc(N2CCN(c3ncccn3)CC2)c(OC)c1 212644276 SBQMXDWGPBYQHN-UHFFFAOYSA-N 313.405 1.531 10 10 DDCE Nc1ccc(O)c(CNS(=O)(=O)CCCC(F)(F)F)c1 214899956 GACKNFFPPRDOLM-UHFFFAOYSA-N 312.313 1.736 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cccc(-n2cncn2)n1 1558174956 DWSDBNJIYWRNLH-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)C(C)(F)F)cc1C 1716077803 XISUQTMVKWMSTM-LBPRGKRZSA-N 316.348 1.226 10 10 DDCE COc1ccc(CCNC(=O)/C=C\c2ccc(O)c(O)c2)cn1 1557843995 TWSANJSKHQPYMY-UTCJRWHESA-N 314.341 1.874 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCCC(=O)N1 1623550004 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FBUCEQOWUUODRF-UHFFFAOYSA-N 324.345 1.924 10 10 DDCE Cc1csc(CO)c1S(=O)(=O)NCc1ccccc1O 2157770440 VPYYTWGROMNREP-UHFFFAOYSA-N 313.400 1.733 10 10 DDCE CNCc1ccc(OC)c(C[S@@](=O)CC[S@](C)=O)c1 319841088 DTUFOWSCVPRALC-OALUTQOASA-N 303.449 1.042 10 10 DDCE CS(=O)(=O)C1(C(=O)N2CCCC[C@H](CN=[N+]=[N-])C2)CC1 2167895445 PPRXRXMRQXHGDK-SNVBAGLBSA-N 300.384 1.503 10 10 DDCE CC(C)(COC(=O)COc1ccc(N)cc1)S(C)(=O)=O 2167832780 POPZXYPVOGOERP-UHFFFAOYSA-N 301.364 1.014 10 10 DDCE O=C(O)Cc1cc(O)n2nc(C3CCCC3)c(C(=O)O)c2n1 2080934165 FGHBEEPPNBZHKK-UHFFFAOYSA-N 305.290 1.418 10 10 DDCE C[C@H](O)c1cc(F)c(N2CC[C@H](S(C)(=O)=O)C2)c(F)c1 2194512055 LLLUJYSSMYXXHY-WPRPVWTQSA-N 305.346 1.641 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(Br)c1 2043128418 DIIMPDFBGZUPFN-IEBDPFPHSA-N 315.211 1.401 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2C[C@H](O)[C@@H](OC)C2)c1O 2187372461 HOWPFISWEUTFCR-WOPDTQHZSA-N 301.770 1.682 10 10 DDCE Nc1cc2c(cc1N1CCCC[C@H]1C1OCCO1)OCCO2 2089563710 SCXCPNGEWPUJBB-LBPRGKRZSA-N 306.362 1.772 10 10 DDCE CN1CCc2cc([C@@H](N)c3nn(C)nc3Br)ccc21 2111412551 CNAFNAPHDQSBPT-LLVKDONJSA-N 322.210 1.618 10 10 DDCE Oc1ccc(Br)cc1CNCC1(O)CSC1 2243461763 GZJQJLPUDMVYJU-UHFFFAOYSA-N 304.209 1.722 10 10 DDCE C[C@H](O)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(Cl)c1 2336344404 CZEWDECQSGCIKN-IYYTYJHQSA-N 301.795 1.627 10 10 DDCE CC(=O)N(C(=O)C(=O)Nc1cccc(F)c1)c1ccc(N)cc1 170318986 ZVGPPIOAVBDLHS-UHFFFAOYSA-N 315.304 1.926 10 10 DDCE CC(C)(C)C(=O)N1CCN(c2ccc3c(c2)CC(=O)N3)CC1 62575909 MVRGCGSCIKXDHI-UHFFFAOYSA-N 301.390 1.876 10 10 DDCE COc1ccc(N2CCN(C(=O)C(C)(C)OC)CC2)cc1F 177282209 HSEFCAKKTYQZGQ-UHFFFAOYSA-N 310.369 1.908 10 10 DDCE CN(Cc1ccccc1O)C(=O)Cn1c(=O)[nH]c2ccccc21 77258426 WSJPEMVGYBIKLK-UHFFFAOYSA-N 311.341 1.694 10 10 DDCE C[C@H](NC1CCN(S(C)(=O)=O)CC1)c1ccc(O)cc1O 36828457 OHOMYJHUOCRKHZ-JTQLQIEISA-N 314.407 1.172 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC23CCC3)c1 366802430 XTOFVWKKHBQWBZ-UHFFFAOYSA-N 324.402 1.922 10 10 DDCE COC[C@H]1CCN1C(=O)NCc1ccc(N2CC=CC2)cc1 292978007 HRSBRSXFVXZUFN-MRXNPFEDSA-N 301.390 1.993 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 808493498 HVKBWDPXHULTQN-UHFFFAOYSA-N 315.329 1.469 10 10 DDCE Cc1c(/C=C/C(=O)N2CC(=O)N(C)c3ccccc32)cnn1C 126713642 GXBCRBCMXLECJO-CMDGGOBGSA-N 310.357 1.751 10 10 DDCE Cn1nnc(C(=O)NCc2ccccc2O)c1C(F)(F)F 907054992 BGCJJCGHGXINIG-UHFFFAOYSA-N 300.240 1.470 10 10 DDCE CN(C)CCN1CCN(Cc2cc3c(cc2O)CCC3)CC1=O 844714521 PEZUQHGNEJUQJU-UHFFFAOYSA-N 317.433 1.087 10 10 DDCE CN(C)c1ccc(CNC(=O)CC2(C(=O)O)CCOCC2)cc1 911120580 NDRKBMJQDFBCHL-UHFFFAOYSA-N 320.389 1.640 10 10 DDCE C[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H]1CO 856781145 QUOPFJWDAUZSHX-VHSXEESVSA-N 321.333 1.380 10 10 DDCE NC(=O)CC1(CNC(=O)c2cccc(O)c2O)CCCCC1 856302882 BVPJKFRFJILCJB-UHFFFAOYSA-N 306.362 1.654 10 10 DDCE COC/C(C)=C\C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 855223363 GSCLMXXEWNPBQM-ZVHGMHCTSA-N 304.390 1.983 10 10 DDCE CCOc1cccc(CNCC2(S(=O)(=O)CC)CC2)c1O 850398550 XOPWIHNSZHEKMM-UHFFFAOYSA-N 313.419 1.848 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cc3cncn3C)C2)cc1 855224167 FFAHTBSRTAQFPN-CYBMUJFWSA-N 314.389 1.366 10 10 DDCE C[C@H](NC(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccccc1O 868028293 UXWKDDJKTWXOMR-WDEREUQCSA-N 312.391 1.187 10 10 DDCE Cc1cc(CC(=O)N2C[C@H](O)[C@@H](O)C2)c(C)n1-c1ccccc1 862583455 KUOZMGWQTKBZLU-IRXDYDNUSA-N 314.385 1.201 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCO[C@@H](OC)C2)c([N+](=O)[O-])c1 784542134 NVEWWLQLDAQIDL-ZDTYVGOBSA-N 322.317 1.590 10 10 DDCE CN1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O 896057956 PTRGUODRUPLNHH-QMMMGPOBSA-N 306.343 1.273 10 10 DDCE CS(=O)(=O)N[C@H]1CCCN(Cc2c(O)cccc2F)C1 1964600208 HAYJRBJFWUZTIH-JTQLQIEISA-N 302.371 1.045 10 10 DDCE CC[C@H](C(=O)O)N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 1329613096 RLBRUFCAQCLSMR-OAHLLOKOSA-N 323.412 1.873 10 10 DDCE CO[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC[C@H]1C 1329471443 VXHUTTJXTRJYOR-IAQYHMDHSA-N 318.373 1.118 10 10 DDCE Cn1cc2c(n1)CCC[C@H]2NC(=O)Cc1ccc(O)c(O)c1 1448462893 YZIUULRJDYNILJ-GFCCVEGCSA-N 301.346 1.568 10 10 DDCE C[C@@H](Cc1cnn(C)c1)C(=O)NCCc1ccc(O)c(O)c1 1545669379 XVYNJEZCBSECAH-NSHDSACASA-N 303.362 1.369 10 10 DDCE CON(C)C1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 1636143435 DZPOFZCGYCIDLL-UHFFFAOYSA-N 308.359 1.630 10 10 DDCE O=C1CC(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 154985266 PPPLNUOZGBYQLT-UHFFFAOYSA-N 306.337 1.258 10 10 DDCE CN(c1cc(Br)c(CN)cc1F)[C@@H]1CCNC1=O 1916798942 NXIPCJPLNIBOHK-SNVBAGLBSA-N 316.174 1.372 10 10 DDCE C[C@@H](CS(=O)(=O)N(C)C)N[C@H](C)c1c(O)cccc1O 2151097714 HSSORFXHCJIBPE-VHSXEESVSA-N 302.396 1.028 10 10 DDCE COc1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H](C)C2)c1O 184695598 VDRZBABXZIDAHE-VIFPVBQESA-N 319.810 1.673 10 10 DDCE C[C@H](O)[C@@H](O)CNCc1cc(Cl)cc(Br)c1O 708055990 HYBYURCRYUSBPC-WKEGUHRASA-N 324.602 1.639 10 10 DDCE C[C@@H]1CN(c2ccc([C@@H](C)N)c(Br)c2)CC(=O)N1 387112184 HEHVKVYYDSLWMX-RKDXNWHRSA-N 312.211 1.794 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC3CCN(C(C)C)CC3)c2n1 2063935354 HFACJJQTJZOAQT-UHFFFAOYSA-N 317.393 1.346 10 10 DDCE O=C(Nc1cc(Br)ncn1)c1ccc(O)c(O)c1 2043850864 WAOQIXXASVYNLM-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE O=C1NCC[C@@H]1CCNCc1c(O)cccc1Br 2075990048 RFOIERADVYWAHL-VIFPVBQESA-N 313.195 1.771 10 10 DDCE C[C@@H](C[C@H]1CCCS1(=O)=O)NCc1ccc(F)cc1O 2204731491 DQJOOKXDRXWRQS-GXFFZTMASA-N 301.383 1.977 10 10 DDCE CCOCCCS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 2236167885 LDMQNFYDJDREMV-UHFFFAOYSA-N 304.324 1.469 10 10 DDCE CSc1ncc(CNc2snc(N)c2C(N)=O)s1 2257097144 OBQNNPUITLXBSE-UHFFFAOYSA-N 301.422 1.615 10 10 DDCE Cc1ccc(CN(C)C(=O)[C@@H]2C[C@H]2N)c(O)c1Br 2327600550 VKSSSPCIMAXDIX-NXEZZACHSA-N 313.195 1.769 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)C[C@H]3CO[C@H]2C3)s1 2350663503 LNNJTACEGWBVLC-QOSJWCAFSA-N 300.405 1.587 10 10 DDCE O=c1cc(-c2cc(O)c(O)cc2O)oc2cc(O)cc(O)c12 6523948 DSNIERNBMAVNJI-UHFFFAOYSA-N 302.238 1.988 10 10 DDCE biogenic,in-vitro CCOc1ccc(N/C=C2\C(=O)NC(=S)N(CC)C2=O)cc1 104911948 RYWNTHIGYIICJA-FMIVXFBMSA-N 319.386 1.644 10 10 DDCE CN(C)C(=O)CC(=O)N(Cc1ccco1)Cc1ccccc1O 176163169 RRCNFTJWJZVGCV-UHFFFAOYSA-N 316.357 1.992 10 10 DDCE CSc1ncc(CNC(=O)N[C@H]2C[C@]3(C(=O)O)C[C@H]23)s1 2359407121 GXIDQIHVNBJAPW-RGNHYFCHSA-N 313.404 1.527 10 10 DDCE CCOc1ccc(O)c(CN2CCN(CCOC)[C@H](C)C2)c1 120844349 WTNJFJWCQSBHIF-CQSZACIVSA-N 308.422 1.943 10 10 DDCE O=C(CNCc1cc2c(cc1O)OCO2)NCc1ccco1 238123944 CAEOXSGOVHYKEI-UHFFFAOYSA-N 304.302 1.120 10 10 DDCE NC[C@H]1CCCN1C(=O)/C=C\c1ccc(N2CCOCC2)cc1 606441578 ACYRSRKVJSIBPV-CTEOGUNLSA-N 315.417 1.486 10 10 DDCE COCC[C@@H](COC)NC(=O)N(C)Cc1ccc(N(C)C)cc1 811956182 MOFDQUVPVABWSX-HNNXBMFYSA-N 323.437 1.946 10 10 DDCE C[C@@H](N)CCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 827726333 WXBBEVZCJFXRLM-ZIAGYGMSSA-N 305.422 1.828 10 10 DDCE Cn1cc([C@@H]2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)cn1 588407970 JCWIVYXXDLCMHC-HSBHDXMMSA-N 313.357 1.861 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)C[C@@H](O)CN1C 900399313 DEKADZQJWBIAQD-AEFFLSMTSA-N 319.449 1.556 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1896114017 DYMNRWIXQPFLMZ-AVGNSLFASA-N 324.421 1.945 10 10 DDCE Nc1ccc(CCNC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@H]3[C@H]64)cc1 843341894 IUICEZIFCXLCGA-PZYUWACWSA-N 308.381 1.255 10 10 DDCE C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1cc(Cl)ccc1O 845995928 JDRGMAATYWJRKT-PELKAZGASA-N 305.783 1.642 10 10 DDCE COC(=O)/C=C/c1ccc(N2C[C@H](C)N[C@H](C)C2)c([N+](=O)[O-])c1 858631639 GVCNCPFBBGIOPV-MNHHLFBFSA-N 319.361 1.968 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@H](O)C1CCOCC1 769291973 OPYCPUUKGWGOIQ-MRXNPFEDSA-N 307.390 1.918 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCCCN3)C2)cc1 1118571810 JCOGJVSYGVUFTQ-RHSMWYFYSA-N 317.433 1.922 10 10 DDCE CS(=O)(=O)[C@H]1C[C@@H](CNCc2c(O)cccc2Cl)C1 1877118003 ZFWCVCJOKTWCBE-AOOOYVTPSA-N 303.811 1.958 10 10 DDCE Cc1cc(Br)c(O)c(CN2CCNC(=O)CC2)c1 781906398 CFGSWUXVAOPUBD-UHFFFAOYSA-N 313.195 1.785 10 10 DDCE C[C@@](O)(CNC(=O)Cc1ccc(O)c(O)c1)c1ccsc1 1136993426 NLVLUUBZKRQRIW-OAHLLOKOSA-N 307.371 1.726 10 10 DDCE CC(C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(F)F 792597059 FRXRAXYWSQDICB-UHFFFAOYSA-N 322.333 1.537 10 10 DDCE Nc1nonc1N=NN(Cc1ccccc1F)c1nonc1N 1084028669 DRYFBGPLSXZZJR-UHFFFAOYSA-N 319.260 1.462 10 10 DDCE O=C(NCc1cccc(O)c1O)c1snc(O)c1Cl 1153798032 IVCYYTAHLHYVRP-UHFFFAOYSA-N 300.723 1.843 10 10 DDCE CS(=O)(=O)NC1CCN(c2ccc(CO)c(Cl)c2)CC1 702975390 ZVZHJBZUACYQER-UHFFFAOYSA-N 318.826 1.350 10 10 DDCE CS(=O)(=O)N1CCCN(c2ccc(CO)c(Cl)c2)CC1 703167934 UROPRSGROBCERG-UHFFFAOYSA-N 318.826 1.304 10 10 DDCE CCNCc1ccc(N(C)CC(C)(CO)CO)c(Cl)c1 689694011 ACLUIIQIEKGHJZ-UHFFFAOYSA-N 300.830 1.877 10 10 DDCE Cc1ccc(C(=O)NCC(=O)NCc2ccc(O)cc2O)s1 1451734873 FJWLBABEBLGUKA-UHFFFAOYSA-N 320.370 1.514 10 10 DDCE O=C(CNC(=O)Cc1ccccc1)NCc1c(O)cccc1F 1456109415 YJSKKXNDCPWPOJ-UHFFFAOYSA-N 316.332 1.506 10 10 DDCE COc1ccc(NC(=O)c2cc(O)cs2)cc1-n1cnnn1 1630301228 CSHRERRHNQYIFV-UHFFFAOYSA-N 317.330 1.690 10 10 DDCE CC(=O)N[C@H](C)CN=NNc1ccc(N2CCN(C)CC2)cc1 1860492796 KTFXIXDOJBLIJF-CYBMUJFWSA-N 318.425 1.742 10 10 DDCE OCC1(CNCc2cc(Br)ccc2O)COC1 122994324 DZEAHZUACPJUII-UHFFFAOYSA-N 302.168 1.253 10 10 DDCE COc1cc(Br)cc([C@H]2C[C@@H](N)CN2C)c1O 1952699811 JCHDDRAWDGYLMD-PSASIEDQSA-N 301.184 1.867 10 10 DDCE O=S1(=O)CC[C@@H]2CN(c3c(F)cc(CO)cc3F)C[C@H]21 2145049330 LZEINFYTDGANFY-BXKDBHETSA-N 303.330 1.080 10 10 DDCE O=S1(=O)CCCCN1CCNCc1cc(F)ccc1O 405438956 HTFNBBRWXATJLV-UHFFFAOYSA-N 302.371 1.047 10 10 DDCE CS(=O)(=O)NC1CCN(c2ccc(CN)cc2Cl)CC1 702994242 GTCTXEFBBWWCHL-UHFFFAOYSA-N 317.842 1.317 10 10 DDCE CN(CCO)CCN(C)c1ccc(CN)cc1Br 691299582 YOGYDHNOCKYSGB-UHFFFAOYSA-N 316.243 1.268 10 10 DDCE NC(=O)[C@@H]1CCC[C@H]1NCc1cc(Br)ccc1O 2053790041 VAZGLPAQDIVGAN-GHMZBOCLSA-N 313.195 1.898 10 10 DDCE CC[C@@H](NCC[C@H](O)CO)c1cc(Br)ccc1O 2061854739 MKZMLAIEGAIIJA-CMPLNLGQSA-N 318.211 1.939 10 10 DDCE CC[S@](C)(=O)=NCCNCc1cc2c(cc1O)OCO2 2187309701 NEBFVPDZOQIVGN-FQEVSTJZSA-N 300.380 1.328 10 10 DDCE CN[C@H](C)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1 2206699732 JMKFGCZJLTWXAP-SECBINFHSA-N 304.362 1.793 10 10 DDCE CCOC(=O)c1n[nH]c(=NCc2cnc(SC)s2)o1 2278087684 WEENSMZAUHUPRP-UHFFFAOYSA-N 300.365 1.459 10 10 DDCE CSc1ncc(CNC(=O)[C@@]23CCOC[C@H]2CNC3)s1 2284494632 PNJLXBBMEQNHGS-NOZJJQNGSA-N 313.448 1.107 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2C[C@]23C[C@@H]3C(=O)O)s1 2284537054 LXTOJZSQPDCLMC-RWYTXXIDSA-N 313.404 1.527 10 10 DDCE Cc1ccc(CNC(=O)CCNO)c(O)c1Br 2307464152 RNZIOYZUYVXNMM-UHFFFAOYSA-N 303.156 1.448 10 10 DDCE CN(Nc1nc(C(C)(C)C)c(C(=O)O)s1)S(C)(=O)=O 2339779286 JWPGWCUXFSMEBI-UHFFFAOYSA-N 307.397 1.357 10 10 DDCE Cc1ccc(CNC2(c3nn[nH]n3)CC2)c(O)c1Br 2352688606 LYHWUPDMVUEKOG-UHFFFAOYSA-N 324.182 1.755 10 10 DDCE O=C1NC(=O)[C@@H]2ON(Cc3ccccc3)[C@H](c3ccccc3O)[C@H]12 102544964 YTNXKGBJVHRFBR-ARFHVFGLSA-N 324.336 1.522 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(=O)n(C)c2)c1 171720431 KHXFOQVLAYGULU-JTQLQIEISA-N 317.345 1.982 10 10 DDCE CN1CCc2cc(CNCCCCCS(C)(=O)=O)ccc21 185206277 UODRJZRSJNAKTQ-UHFFFAOYSA-N 310.463 1.983 10 10 DDCE COc1ccc(/C=C2\SC(=S)N(NC(C)=O)C2=O)cc1O 40867542 AROIEIJDLUJYPZ-WDZFZDKYSA-N 324.383 1.653 10 10 DDCE COc1cc(Br)cc(CNCC2COC2)c1O 527817506 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317.389 1.935 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCC(O)(C1CC1)C1CC1 855912357 SVCNKYVSYXCVHK-WAPJZHGLSA-N 303.358 1.778 10 10 DDCE COc1ccc(N2CCN(CCc3nnc(C)o3)CC2)cc1F 929823159 SBYYRUQXDWSSIT-UHFFFAOYSA-N 320.368 1.890 10 10 DDCE CN1C[C@@H](CCNC(=O)NCc2c(O)cccc2F)CC1=O 924766517 MFQGSNQYWHNIKK-JTQLQIEISA-N 309.341 1.199 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@@H]3CCC[C@]3(CO)C2)c1O 862528673 GKJPHIPHILKEQM-BLLLJJGKSA-N 322.361 1.903 10 10 DDCE C[C@H](NC(=O)NCCCn1ccnn1)c1ccc(N(C)C)cc1 773437807 CKFSARMRXJMTRZ-ZDUSSCGKSA-N 316.409 1.795 10 10 DDCE COC[C@@H](NC(=O)c1c(F)ccc(O)c1O)[C@H]1CCCOC1 899651898 BMCZNUGCMSOGBN-GXSJLCMTSA-N 313.325 1.408 10 10 DDCE COC(=O)Cc1occc1C(=O)NCc1c(O)cccc1O 1156886199 VHSHRFGXMYVSCT-UHFFFAOYSA-N 305.286 1.336 10 10 DDCE CC(C)(C)OC(=O)N1CC(C)(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1961043635 YBSOFAWGZBPBKO-XYPYZODXSA-N 310.394 1.509 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)c1cccc(O)c1O 1962353527 RJMINQUTYCLZKO-UWVGGRQHSA-N 308.334 1.493 10 10 DDCE Oc1c(Cl)cc(CNCCN2CCOCC2)c(O)c1Cl 76275676 BZCPYRVDOMPXHZ-UHFFFAOYSA-N 321.204 1.826 10 10 DDCE O=C1NCC[C@]1(C(=O)NCc1c(O)cccc1O)C1CCCC1 1178918172 ZVEQNHFPBCNFBW-KRWDZBQOSA-N 318.373 1.411 10 10 DDCE CNCc1ccc(N(C)[C@@H](C)CS(C)(=O)=O)c(Cl)c1 688552747 ZLBRQJLESLCPKJ-JTQLQIEISA-N 304.843 1.929 10 10 DDCE COC(=O)c1ccc(CC(=O)N(C)Cc2ccccc2O)cn1 1294677468 IBHVVEPVKJPNGK-UHFFFAOYSA-N 314.341 1.775 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCCS(=O)(=O)CC2)cc1 1293126183 HNHOACQUGRNJFM-UHFFFAOYSA-N 324.362 1.110 10 10 DDCE COC(=O)[C@H]1CCC[C@H](C(=O)NCc2cc(O)ccc2O)C1 1455356191 HNOKJXBQCDMSPC-QWRGUYRKSA-N 307.346 1.693 10 10 DDCE CC(=O)N1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H](C)C1 1465799248 ZVKSHTOHAVGGTD-JTQLQIEISA-N 317.349 1.542 10 10 DDCE O=C(NCc1ccccc1O)c1cccc(Nc2nn[nH]n2)c1 1545682077 PHORKWGCHGCQSD-UHFFFAOYSA-N 310.317 1.579 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2CCn3ccnc32)c1O 1470259065 OVACCYJMIKQRBG-LLVKDONJSA-N 302.334 1.542 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)c1c(F)cccc1F 1471866990 BVUMLDBVGJKAOY-CQSZACIVSA-N 323.295 1.768 10 10 DDCE COc1cc(N2CCn3nc(N)cc3C2)c([N+](=O)[O-])cc1OC 1559270612 YCDNMGPUQBXGCE-UHFFFAOYSA-N 319.321 1.411 10 10 DDCE C[C@@H]1C[C@@H](CNCc2cccc(F)c2O)CCS1(=O)=O 1966092019 ZEIGGFDCGKEOQF-MNOVXSKESA-N 301.383 1.834 10 10 DDCE CCCOCCCNS(=O)(=O)CCOc1ccc(N)cc1 169256248 ZFEQRUVAXNBYQG-UHFFFAOYSA-N 316.423 1.384 10 10 DDCE C[C@H](c1cc(Cl)ccc1O)N(C)CCN(C)S(C)(=O)=O 2146942986 GUHMRAVAFMSEEA-SNVBAGLBSA-N 320.842 1.930 10 10 DDCE C[C@H](ON)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1951992235 FSDGKWSGJQRVPL-ONGXEEELSA-N 312.366 1.812 10 10 DDCE COc1cc(Cl)cc(CN2CC[C@@H](OCCN)C2)c1O 1972824356 LJUDPYQZSSIEHT-GFCCVEGCSA-N 300.786 1.604 10 10 DDCE CN(C[C@H](O)C(=O)O)c1ccc(CNC(=O)OC(C)(C)C)cc1 1977841711 ZDXIZGPVDKMZIM-ZDUSSCGKSA-N 324.377 1.593 10 10 DDCE CC(C)(C)OC(=O)N1CC(ONC(=O)c2ccc(O)c(O)c2)C1 1984435872 MANZJWRCWRKAHS-UHFFFAOYSA-N 324.333 1.379 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2CCC(F)(F)C2)cc1 313266405 XRBNNRWLSUMDAY-UHFFFAOYSA-N 306.334 1.318 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@@H]3O)cc1Cl 2182542713 LDMACDSFKMQSMF-LPQAMYBRSA-N 300.761 1.116 10 10 DDCE Nc1ccc(OCCC(=O)N[C@@H]2CCCC3(C2)OCCO3)cc1 2191661950 NZPRFOVNBJAEPT-CQSZACIVSA-N 320.389 1.840 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1CCn2nnnc2C1 2055724152 WDXCVDCEAQHADX-SSDOTTSWSA-N 309.171 1.445 10 10 DDCE O=C1N[C@H]2CN(Cc3cc(Br)ccc3O)C[C@@H]2O1 2056807431 IACUYNVFEYCFNO-ONGXEEELSA-N 313.151 1.447 10 10 DDCE COCCOCCOCCNCc1cc(Cl)ccc1O 2187127550 FGWIZNKVVUAYQF-UHFFFAOYSA-N 303.786 1.815 10 10 DDCE OC[C@@H]1COCC[C@@H]1NCc1cccc(Br)c1O 2072979216 YPXMQKUGWWKJJO-PWSUYJOCSA-N 316.195 1.642 10 10 DDCE CCOC(=O)[C@H]1C[C@H]1C(=O)NCc1cnc(SC)s1 2269093221 BNPBHCSUDDXSCS-BDAKNGLRSA-N 300.405 1.680 10 10 DDCE Cn1nc(Br)c(C(=O)NCC2(CN=[N+]=[N-])CC2)n1 2219807637 CGLPYXVQLYSCIG-UHFFFAOYSA-N 314.147 1.398 10 10 DDCE NCc1ccc(N2CC[C@H](O)[C@H](O)CC2)c(Br)c1 2256988803 RIHTWTGUZHHVGH-BETUJISGSA-N 315.211 1.230 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@H]2C[C@@H](CN)C2)s1 2257098361 WRYJWFPRTHXQBZ-OTSSQURYSA-N 307.466 1.022 10 10 DDCE CSc1ncc(CNC(=O)NC23CC(C(=O)O)(C2)C3)s1 2284505307 UHASWWTUOFALRL-UHFFFAOYSA-N 313.404 1.672 10 10 DDCE COc1cc(OC)c(N(C)C[C@@H](O)CN(C)C)cc1Cl 2285867850 HKIDCWAFBPQICQ-JTQLQIEISA-N 302.802 1.716 10 10 DDCE O=C(NC1CN(C(=O)C=Cc2ccc(O)c(O)c2)C1)C1CCC1 2310140154 QOSMIPQSUOSFMG-UHFFFAOYSA-N 316.357 1.238 10 10 DDCE Cc1ccc(CNC[C@H]2CCNC2=O)c(O)c1Br 2327623735 KRHNCRDFBRHZDI-SNVBAGLBSA-N 313.195 1.689 10 10 DDCE CC[C@@H]1COC[C@]1(NCc1cnc(SC)s1)C(=O)O 2348125616 INMHBHDWBCAFES-PRHODGIISA-N 302.421 1.834 10 10 DDCE CCN[C@](CSc1nccs1)(C(N)=O)[C@@H]1CC1(F)F 2352307419 YZQFJRPKLFYYJD-XVKPBYJWSA-N 307.391 1.724 10 10 DDCE CCN(Cc1cc([N+](=O)[O-])ccc1O)[C@@H](C)CS(C)(=O)=O 173390297 WGNXIGIBORJHKS-JTQLQIEISA-N 316.379 1.555 10 10 DDCE O=C(Cn1nnc2ccccc21)NCCc1ccc(O)c(O)c1 179092198 KCVWZIIBLQCDSN-UHFFFAOYSA-N 312.329 1.201 10 10 DDCE O=C1COC[C@H](c2cccc(I)c2O)N1 238725538 CNQMTYLQOLVAHP-MRVPVSSYSA-N 319.098 1.184 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 92978239 PYFCZBNXPZEDGT-FFLLRXOZSA-N 320.345 1.988 10 10 DDCE COc1ccc(N2CCN(CCNCc3cocn3)CC2)cc1 276940336 BKLJUKFGSPHYRL-UHFFFAOYSA-N 316.405 1.595 10 10 DDCE C[C@H](NCCCN1CCOC1=O)c1cc([N+](=O)[O-])ccc1O 273623069 ZRKAGIDBCXVURS-JTQLQIEISA-N 309.322 1.793 10 10 DDCE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cccc(OC)c1O 372280781 GBUBKXGEFIRWNV-UONOGXRCSA-N 323.389 1.943 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](C)n1ccc2ccccc2c1=O 808550781 TTYLDKKBVKDBLR-JTQLQIEISA-N 301.298 1.264 10 10 DDCE COc1ccc(N2CC[C@H](CN3C(=O)N[C@@H](CF)C3=O)C2)cc1 819177481 TYDDPPOFHOIWGQ-FZMZJTMJSA-N 321.352 1.411 10 10 DDCE Oc1cc(Br)ccc1CN1C[C@H]2COC[C@@H](C1)O2 825784632 KCMIZAVEZAJUPN-TXEJJXNPSA-N 314.179 1.754 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCN2CCCC[C@H]2C1 588404749 OUYHSESPHLLYFQ-VSKVDJIOSA-N 302.374 1.808 10 10 DDCE CC(C)N1CCN(CCC(=O)N2Cc3cccc(O)c3C2)CC1 913726355 NFLACGHOQHRFLM-UHFFFAOYSA-N 317.433 1.651 10 10 DDCE CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)N(CC(=O)O)Cc1ccccc1O 911487194 BWUCJDWGNBMVSO-NZVBXONLSA-N 307.346 1.476 10 10 DDCE Cc1cc(N(C)C)ccc1CN(C)[C@@H]1CCN2CCO[C@H]1C2 840948353 DLKBJDLQUOBCCS-MSOLQXFVSA-N 303.450 1.966 10 10 DDCE COc1ccc(O)c([C@H](C)N[C@@H]2CCc3nnn(C)c3C2)c1 927143612 GSWHKCBTLYSFLG-WDEREUQCSA-N 302.378 1.737 10 10 DDCE CC(C)N1CCN(CCC(=O)NCc2c(O)cccc2F)CC1 928705516 JCPLYJFRMZFESP-UHFFFAOYSA-N 323.412 1.564 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCOC3)C2)cc1 855230164 NWSWVLVYSSJUQL-KGLIPLIRSA-N 304.390 1.817 10 10 DDCE COc1ccc(N2CC[C@H](N=c3cc[nH]c(C(N)=O)c3)C2)cc1 853758830 KYUGAKPBJFEURH-ZDUSSCGKSA-N 312.373 1.302 10 10 DDCE CC[C@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H](C)CO1 1119021801 YXMUDEBZZITNAM-AAEUAGOBSA-N 318.373 1.260 10 10 DDCE CN1CCN(c2ccc(CN(C)Cc3cnccn3)cc2)CC1 775663833 DSJWOOWMNJDQGK-UHFFFAOYSA-N 311.433 1.860 10 10 DDCE O=C([C@H]1CC(=O)N(c2cn[nH]c2)C1)N1Cc2cccc(O)c2C1 871202814 GSMMBCIXVKAUPT-NSHDSACASA-N 312.329 1.011 10 10 DDCE CCOc1ccc(CN[C@H](C)C2(S(C)(=O)=O)CC2)c(O)c1 796492541 UNCZFXNRIJFCRS-LLVKDONJSA-N 313.419 1.846 10 10 DDCE O=S1(=O)C[C@@H]2CN(Cc3cccc(Cl)c3O)C[C@@H]2C1 897618635 IEWVUQDVJAMJTN-PHIMTYICSA-N 301.795 1.522 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cncc(-n2ccnn2)c1 1162278330 HFSBKINABSZMKR-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE CN(C)c1ccc([C@@H](CN2CCNCC2)N2CCCC2)cc1 62271227 FXLJIIBXVWHLJF-GOSISDBHSA-N 302.466 1.795 10 10 DDCE CNCc1cc(F)c(N(C)[C@@H]2CCS(=O)(=O)C2)c(F)c1 62711345 VVEXLBWWOMHQAH-SNVBAGLBSA-N 304.362 1.308 10 10 DDCE COC(=O)[C@@H](NCCN=[N+]=[N-])c1cn(C)nc1Br 712425063 NODGXLYBKXNBGS-ZETCQYMHSA-N 317.147 1.297 10 10 DDCE CCOc1ccc(N2CCN(C[C@](C)(O)C(C)=O)CC2)cc1 1344124721 NZJBDVAXTHEDEK-KRWDZBQOSA-N 306.406 1.547 10 10 DDCE CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(OC)nc(OC)c2)C1 1353706795 WFIUTEWHQBRVFX-TXEJJXNPSA-N 321.377 1.276 10 10 DDCE CP(C)(=O)CCCNS(=O)(=O)Cc1ccc(N)cc1 2120676209 UZWJNGWADCEHTF-UHFFFAOYSA-N 304.352 1.701 10 10 DDCE CN1C[C@@]2(C)CN(C(=O)Cc3ccc(O)c(O)c3)C[C@]2(C)C1 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DDCE COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C)c2cc(OC)ccc2O)O1 860240545 BLHOOKJNXGNGJS-FZQKWOKYSA-N 323.345 1.299 10 10 DDCE C[C@@H]1NCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 861557261 NDAIXZKPTWVSEQ-XJKSGUPXSA-N 302.422 1.836 10 10 DDCE Cc1ccc(O)c(CN2CC[C@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)c1 872255702 KZSFYWUEYVWPEK-LZWOXQAQSA-N 317.389 1.068 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCC[C@H]3CCNC(=O)[C@@H]32)c1O 880528193 ZANSGUNCMAUFRU-XHDPSFHLSA-N 320.364 1.834 10 10 DDCE Oc1c(F)cc(F)cc1CN1CCC(N2CC[C@H](O)C2)CC1 895345530 VIFDABRHKSMYPX-AWEZNQCLSA-N 312.360 1.701 10 10 DDCE CCOc1cc(O)ccc1NS(=O)(=O)N1CCC[C@@H]1C 790411336 KGLPWQYSWNJSAT-JTQLQIEISA-N 300.380 1.932 10 10 DDCE CN(C)c1ccc([C@@H](NN)c2cn(C)nc2Br)cc1 2116558603 CGDARPKCLLQKPJ-GFCCVEGCSA-N 324.226 1.801 10 10 DDCE C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCc3ccc(O)c(O)c3)CN2C1 1465954603 RFMMDFMOFWDCRK-XBFCOCLRSA-N 304.390 1.834 10 10 DDCE C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 1626056388 BCHPDUYVCJKJEK-KCJUWKMLSA-N 303.322 1.103 10 10 DDCE 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CS(=O)(=O)C[C@H]1CN(c2ccc(CO)c(Cl)c2)CCO1 2143672300 ZXZSPLFDDCAKKT-GFCCVEGCSA-N 319.810 1.082 10 10 DDCE CC(C)(C)OC(=O)NC[C@H](Cc1ccc(O)c(O)c1)C(=O)O 1951518680 QOFOWFIEYWDOBK-JTQLQIEISA-N 311.334 1.866 10 10 DDCE CN(C)c1ccc(CNC[C@H](CO)NC(=O)OC(C)(C)C)cc1 1985856924 LWRLWOVKLHXQHF-CQSZACIVSA-N 323.437 1.728 10 10 DDCE N[C@@H]1CN(Cc2c(O)cccc2Br)[C@H]2COC[C@H]12 2040555058 QKXKYWMYZGSFIQ-JLLWLGSASA-N 313.195 1.313 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H]2CC[C@H]3[C@H]2C3(F)F)cc1 2158362969 QOSYXFPRVCVRPU-QJPTWQEYSA-N 302.346 1.732 10 10 DDCE C[C@@H](N)c1ccc(N(C)[C@H](C)C(N)=O)c(Br)c1 723188260 DZZKPKAEJSTBFY-HTQZYQBOSA-N 300.200 1.779 10 10 DDCE CCNC(=O)c1cnn([C@H](C)c2ccc(OC)cc2O)c1O 2070465681 WSPKAJXIXMIIJH-SECBINFHSA-N 305.334 1.662 10 10 DDCE CCCN[C@H](c1ccccc1O)[C@](C)(O)CS(C)(=O)=O 2170425325 PYEJDFLGDWUIIZ-ZIAGYGMSSA-N 301.408 1.229 10 10 DDCE CNCc1ccc(N2C[C@@H](CO)[C@@H](F)C2)cc1Br 2057012083 GXLIVOHDLKYZFN-GWCFXTLKSA-N 317.202 1.935 10 10 DDCE C[C@@]1(O)CCN(c2ccc(CO)cc2Br)C[C@H]1O 2077302107 KFRTWJRUEVCENL-CHWSQXEVSA-N 316.195 1.263 10 10 DDCE O=S(=O)(Nc1ccc(O)c(F)c1)c1cc(CO)cs1 2101550108 MDRAXBWAOQYABP-UHFFFAOYSA-N 303.336 1.886 10 10 DDCE CNCc1ccc(N2CC(S(=O)(=O)C(F)(F)F)C2)cc1 2237662157 ZGKJHXFOGAXJCM-UHFFFAOYSA-N 308.325 1.529 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2cc(N)cs2)s1 2256964123 GNJJASUWUOWRFR-UHFFFAOYSA-N 321.474 1.987 10 10 DDCE COC[C@@H](CC(=O)O)NC(=O)NCc1cnc(SC)s1 2284544960 UYTKDEDLTODPPX-SSDOTTSWSA-N 319.408 1.154 10 10 DDCE CSc1ncc(CN=c2[nH]c(C(F)(F)F)nc(=N)[nH]2)s1 2284711890 LCHVGYOSWGRXRH-UHFFFAOYSA-N 322.341 1.515 10 10 DDCE N=C1C(=Cc2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC=NN12 2297365283 KVPDZACCJYSXOU-UHFFFAOYSA-N 301.287 1.844 10 10 DDCE CNCc1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)c(Cl)c1 2336561228 OGPUAOFPWAGTMV-GWCFXTLKSA-N 300.811 1.293 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)COCC2(F)F)s1 2350347356 GAYUKHOELZLTSJ-VIFPVBQESA-N 310.347 1.444 10 10 DDCE CN=c1nncc(NCc2ccc(C)c(Br)c2O)[nH]1 2352944964 OYVJIQVJWJZPNS-UHFFFAOYSA-N 324.182 1.724 10 10 DDCE Cc1ccc(C(=O)N2CC[C@H](c3cnn(C)c3)C2)c(O)c1O 182458640 WQXCMTODIDIFQJ-NSHDSACASA-N 301.346 1.769 10 10 DDCE CN1CCC[C@H]1CNCc1ccc(N2CCOCC2)c(F)c1 237087548 DRXDVIPNKOSNFB-HNNXBMFYSA-N 307.413 1.846 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@]3(C)CCCNC3)CC2)cc1 237267778 HOKAUVLJNGVGKY-SFHVURJKSA-N 317.433 1.734 10 10 DDCE CC(=O)C(=O)COC(=O)c1cccc(SCC(=O)C(C)=O)c1 808530735 CRQGGZHVNUHSSS-UHFFFAOYSA-N 322.338 1.252 10 10 DDCE COc1ccc(CNC(=O)NC[C@@H](CC(C)C)C(=O)O)c(O)c1 818628513 WVDPFGOUNQTVMX-GFCCVEGCSA-N 324.377 1.947 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC(=O)N[C@H](C)C2)c([N+](=O)[O-])c1 829001784 ZUUPCWSSKZLEBE-AYYIZTPMSA-N 319.317 1.106 10 10 DDCE C/C=C\[C@H](O)C(=O)NCc1cccc(Br)c1O 907758736 SZSPJKBWRLGWHN-GQPNGRKGSA-N 300.152 1.708 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCc2nc[nH]c2C1 831924392 HFLVHHXQVWPLIF-JQWIXIFHSA-N 315.373 1.673 10 10 DDCE COc1ccc(N2CC[C@@H](N3C(=O)CN(C(C)C)C3=O)C2)cc1 849358576 ZCDILXFGXNDZMC-CQSZACIVSA-N 317.389 1.947 10 10 DDCE NCc1cc(F)c(N2CC3(COC3)C2)cc1Br 697079247 UGLZPAOCPSRUPA-UHFFFAOYSA-N 301.159 1.884 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(N2CCOCC2)CC1 867302935 XKZDKISXHOCWIP-GFCCVEGCSA-N 320.389 1.010 10 10 DDCE C=CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 862158263 FYHTWSTYZJXYGA-ZDUSSCGKSA-N 317.389 1.035 10 10 DDCE Cc1cc(O)c(CN[C@H]2CS(=O)(=O)C[C@H]2C)c(Cl)c1 886293616 GJBFFLAYWPLHLF-SKDRFNHKSA-N 303.811 1.877 10 10 DDCE Cc1cc(Br)c(O)c(CNC[C@@]2(O)CCOC2)c1 781635401 HBPIMHHPDRLGGG-ZDUSSCGKSA-N 316.195 1.704 10 10 DDCE COC(=O)[C@@H](NCc1ccc(OC)c(C)c1)c1ccn(C)n1 787438267 LSNAXRMGVXDRKU-HNNXBMFYSA-N 303.362 1.741 10 10 DDCE CC1(C)C(=O)NCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1143832319 UOKNQLAIBRUPAV-UHFFFAOYSA-N 303.322 1.200 10 10 DDCE COC(=O)c1cc(C(=O)NCc2cc(Cl)ccc2O)n(C)n1 1146232915 NOHZFHCZQQITRQ-UHFFFAOYSA-N 323.736 1.496 10 10 DDCE Cc1nnc(N(C)Cc2ccccc2O)n1CC1(O)CCC1 1304794462 KHCPUJFMKDQPJE-UHFFFAOYSA-N 302.378 1.844 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cccc2oc(O)nc12 1156885436 DRCKVGSZUOLBEB-UHFFFAOYSA-N 300.270 1.875 10 10 DDCE C[C@@H](NCc1c(O)ccc(Cl)c1F)[C@H]1CN(C)CCN1C 1474718130 XJKUYKYKADMHSI-ZWNOBZJWSA-N 315.820 1.909 10 10 DDCE Cc1ccc(Cc2nn(Cc3ccc(N)cc3)c(=O)nc2O)cc1 82720967 SVPWKFGBIMJXQI-UHFFFAOYSA-N 322.368 1.874 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)[C@H]2COCCO2)cc1C 1317227979 UXNFSQLKTSCILI-CZUORRHYSA-N 322.405 1.013 10 10 DDCE CN(Cc1ccc(Br)cc1O)[C@H]1CCCNC1=O 1963337592 OAOJWZYVFDXISM-NSHDSACASA-N 313.195 1.865 10 10 DDCE CC(C)(C)OC(=O)N[C@H](C(=O)NCCN=[N+]=[N-])C(F)(F)F 1963817523 OHQSBUCILSPSKK-ZCFIWIBFSA-N 311.264 1.869 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@](O)(C(F)F)C2)cc1 1449878326 IEHDECNBODAGPG-CYBMUJFWSA-N 312.276 1.691 10 10 DDCE CCC[C@]1(C)C(=O)NCCN1C(=O)Cc1ccc(O)c(O)c1 1466972241 AMUOXRKDVAWBAB-MRXNPFEDSA-N 306.362 1.158 10 10 DDCE COc1cc(C(=O)Nc2c(Cl)ccc3nonc23)ncn1 1539058242 ANDBKNCACHWYQX-UHFFFAOYSA-N 305.681 1.927 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@H](O)c2cnn(C)c2)cc1 1626085041 ADBHUXPSDDFNQF-MRXNPFEDSA-N 316.405 1.616 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(O)cc1OC 1636062784 FLSSFIXWDMSXBQ-UHFFFAOYSA-N 323.345 1.917 10 10 DDCE CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)Cc1ccc(O)c(O)c1)C[C@@H]3C2 1568816659 GSLZMTVVCMNYAP-UKTVDESPSA-N 303.358 1.522 10 10 DDCE Cn1nc(C(=O)N2CC[C@@H](CN=[N+]=[N-])C2)cc1Br 1912195332 FKSRKBWNPSCUIR-ZETCQYMHSA-N 313.159 1.955 10 10 DDCE O=C(Cn1ccc([N+](=O)[O-])n1)NCc1cccc(Cl)c1O 1653567372 WPSQXUWXQVLYNS-UHFFFAOYSA-N 310.697 1.467 10 10 DDCE O=C(NCc1cccc(O)c1O)c1n[nH]cc1C(F)(F)F 1651175815 OLVIBGXOASGZFQ-UHFFFAOYSA-N 301.224 1.770 10 10 DDCE N[C@H]1CC(C(=O)N2CCc3c(Br)cccc32)=C[C@@H]1O 2131469295 LDZFEFLGKIYZHL-AAEUAGOBSA-N 323.190 1.357 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCN(CCCN=[N+]=[N-])C[C@@H]1CO 1975181009 XWBOYMWORUYHQT-NEPJUHHUSA-N 313.402 1.894 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CC(S(C)(=O)=O)C2)c1O 2152285679 GBPSYFWUPDMOOB-UHFFFAOYSA-N 317.794 1.477 10 10 DDCE CNCc1ccc(N2CCS(=O)(=O)[C@H](C)C2)cc1Cl 706912690 PAXWDBHWQCROKB-SNVBAGLBSA-N 302.827 1.683 10 10 DDCE NC(=O)N1CC[C@H](NCc2cc(Cl)cc(Cl)c2O)C1 393212173 BAENJVRXENABNZ-VIFPVBQESA-N 304.177 1.942 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1C[C@H](Cn2ccnc2)C1 2063054278 GIVMXLGYUWWZCP-JOCQHMNTSA-N 301.346 1.432 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1C[C@H]2C[C@H]1[C@@H](O)[C@@H]2O 2047622498 AKQAZBBSQMHAPB-YAJUTZRLSA-N 313.195 1.573 10 10 DDCE NCc1ccc(N2C[C@@H]3C[C@@H](CO)[C@@H]3C2)c(Br)c1 2053978722 BTHSTSSGAGADFJ-SDDRHHMPSA-N 311.223 1.972 10 10 DDCE CSc1ncc(CNC[C@@H](N)Cc2ncns2)s1 2257128306 QAWDSCPGFHVWRJ-ZETCQYMHSA-N 301.466 1.376 10 10 DDCE COC(=O)NC[C@@H](C)NCc1cc(Br)ccc1O 2258237175 MUSSMQGZYXVKRJ-MRVPVSSYSA-N 317.183 1.989 10 10 DDCE CSc1ncc(CNC(=O)[C@]23CCC[C@]2(F)CNC3)s1 2284495764 CCVZCGZVWOWDSC-OLZOCXBDSA-N 315.439 1.963 10 10 DDCE O=C1OC(C2=S=CC=C2)=NC1=Cc1ccc([N+](=O)[O-])c(O)c1 2297422037 UWWHRBNNNIFYHF-UHFFFAOYSA-N 316.294 1.874 10 10 DDCE CSc1ncc(CN[C@](C)(CCN(C)C)C(=O)O)s1 2349496320 OFTYWQPNNSPLNU-GFCCVEGCSA-N 303.453 1.750 10 10 DDCE C[C@H]1CCC[C@@](CO)(NS(=O)(=O)Cc2ccc(N)cc2)C1 53113204 MXFWFVYWFPNKID-SWLSCSKDSA-N 312.435 1.629 10 10 DDCE Cc1nn(C(=O)[C@@H](C)Cc2ccc(O)c(O)c2)c(C)c1CCN 170038503 JHOWHWUGYNCZHN-JTQLQIEISA-N 317.389 1.931 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@]4(CCOC4)C3)cc2N1 301682751 UHSNHUNRGCRLAP-OAHLLOKOSA-N 319.317 1.543 10 10 DDCE CCOC(=O)CCc1csc(NN(C)S(=O)(=O)CC)n1 2365341970 SVBJXMZMVUCLMU-UHFFFAOYSA-N 321.424 1.247 10 10 DDCE COC(=O)[C@@H](C)CS(=O)(=O)Nc1cc(C)c(O)c(C)c1 2366467653 FOUWMPJDCVMYAD-JTQLQIEISA-N 301.364 1.560 10 10 DDCE O[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(Cc2ccc(N4CCOCC4)cc2)[C@H]31 249603868 QYPZJKQOGSJBAS-WAARBJQMSA-N 314.429 1.724 10 10 DDCE CC[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@@]2(CCOC2)O1 366521156 QNEGWPYKNCORIT-MEDUHNTESA-N 307.346 1.508 10 10 DDCE CC(C)C[C@@H](CO)N(C)CC(=O)NCc1ccc(N(C)C)cc1 299217145 HLCLBJYPIVVTAI-KRWDZBQOSA-N 321.465 1.708 10 10 DDCE CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@@H]1N 818153428 CCILPXBLNIYRPV-MNOVXSKESA-N 313.195 1.850 10 10 DDCE CN1C[C@H](C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)NC1=O 821032791 GVLXTJNESVFYLF-OAHLLOKOSA-N 316.405 1.267 10 10 DDCE CCN(CCO)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 854301477 PUUGTLUEVJASHY-CYBMUJFWSA-N 307.394 1.298 10 10 DDCE COC(=O)/C=C\c1ccc(N2C[C@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 768528324 XOTNEVGUAPXXPG-XXBVWFMCSA-N 306.318 1.598 10 10 DDCE NC(=O)N1CC(CNCc2cc(Br)ccc2O)C1 1875454511 WJKDNKDTCZMUFC-UHFFFAOYSA-N 314.183 1.255 10 10 DDCE COCCCCS(=O)(=O)NCc1cc(OC)ccc1O 772724100 CGMKVHHLSCSNIS-UHFFFAOYSA-N 303.380 1.247 10 10 DDCE CN1CCN(c2ccc(CN3CCC(N(C)C)CC3)cc2)CC1 775653229 AINAAZKFYUGSKA-UHFFFAOYSA-N 316.493 1.964 10 10 DDCE COC(=O)c1cccc2c1CCN2C(=O)/C=C\c1cnn(C)c1 1134125543 IARBBTDTPKPYPP-SREVYHEPSA-N 311.341 1.809 10 10 DDCE C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1cc(F)cc(F)c1O 895085172 KHGZORIGAHXBBS-SNVBAGLBSA-N 313.348 1.222 10 10 DDCE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)NCc3ccccc3O)[C@@H]2C1 892527460 RJMVAIFEJTXSPY-RQJABVFESA-N 318.373 1.779 10 10 DDCE Cc1ncccc1NC(=O)[C@H](C)NC(=O)c1cc(O)cs1 1160881107 QDOFZIKRULQMTG-VIFPVBQESA-N 305.359 1.914 10 10 DDCE C[C@H]1CCSCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1329809977 IRIPLECFUDNWHL-NSHDSACASA-N 320.414 1.588 10 10 DDCE O=C(CN1Cc2ccccc2C1=O)NCc1cccc(O)c1O 1176565985 QTKGRWXZIQKZKW-UHFFFAOYSA-N 312.325 1.370 10 10 DDCE CNCc1ccc(N2CC(n3cncn3)C2)cc1Br 707677786 YYAVUVVSTQOURQ-UHFFFAOYSA-N 322.210 1.821 10 10 DDCE O=C1CCC2=C(CCN(C(=O)Cc3ccc(O)c(O)c3)C2)N1 1629224502 HZUFTGXLCPOBTI-UHFFFAOYSA-N 302.330 1.037 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCc1nc2ccccc2[nH]1 1624527641 CPFJTYICJMXWPW-UHFFFAOYSA-N 311.341 1.876 10 10 DDCE C[C@H](Cn1cncn1)NC(=O)c1ccc(N=NC(N)=O)cc1 1627297112 YCGYZQVNSQIPEI-SECBINFHSA-N 301.310 1.259 10 10 DDCE CCOC(=O)C[C@@H](O)C(=O)NCc1c(O)ccc2ccccc12 1558554333 PJNKNEUPDJKENC-OAHLLOKOSA-N 317.341 1.476 10 10 DDCE Cc1nn(C)cc1CC(=O)NCc1ccc2cccnc2c1O 1630533070 UKILZMFIEIVALF-UHFFFAOYSA-N 310.357 1.841 10 10 DDCE CN(C)S(=O)(=O)C[C@H](N1CC[C@H](N=[N+]=[N-])C1)C(F)(F)F 1912197033 OGOJNDZBELVQAN-YUMQZZPRSA-N 315.321 1.193 10 10 DDCE CCC(=O)NC/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1 1689183946 QHPJQRYNZPDSAC-HUFSXBHGSA-N 317.349 1.661 10 10 DDCE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)COc1ccc(N)cc1 1977673297 YDSUACAZOYFRRQ-NSHDSACASA-N 323.393 1.677 10 10 DDCE CON(CCC(=O)O)Cc1cc(Br)ccc1O 1996515980 PDUSPHSZBAHRBG-UHFFFAOYSA-N 304.140 1.993 10 10 DDCE CN(C)[C@H]1CN(c2ccc(CO)c(Br)c2)C[C@@H]1O 2029434154 JJHJLUXCECAOJA-STQMWFEESA-N 315.211 1.053 10 10 DDCE CN(Cc1cnns1)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 400040985 ZYZWYRWWDUGOLG-LLVKDONJSA-N 309.782 1.780 10 10 DDCE C[C@H](O)c1cc(F)c(N2CC[C@@H](S(C)(=O)=O)C2)c(F)c1 2194522537 LLLUJYSSMYXXHY-WCBMZHEXSA-N 305.346 1.641 10 10 DDCE COc1cc(Cl)cc(CN[C@H]2COC(C)(C)[C@H]2O)c1O 2199468441 WWLJCEDEABNUQI-GWCFXTLKSA-N 301.770 1.682 10 10 DDCE Nc1ccc(O)c(CNS(=O)(=O)c2cncc(Cl)c2)c1 2187846262 SDYLOLQQQJKBKE-UHFFFAOYSA-N 313.766 1.501 10 10 DDCE Cn1cc(Cn2ccc3c(c2=O)CNCC3)c(Br)n1 2094400072 RCUBFTIDDZYDLB-UHFFFAOYSA-N 323.194 1.038 10 10 DDCE CS(=O)(=O)[C@H]1CCC[C@@H]1NCc1cc(F)cc(F)c1O 2205994894 CVDSBOXRAPJKDB-RYUDHWBXSA-N 305.346 1.726 10 10 DDCE NCc1cc(F)c(N2C[C@H]3CCO[C@@]3(CO)C2)cc1Cl 2239919342 WNGJZTKAVREFPX-QMTHXVAHSA-N 300.761 1.525 10 10 DDCE CN1C(=O)C(=Cc2cc(Br)ccc2O)NC1=S 2297346619 GBDXUGGKXIVQKW-UHFFFAOYSA-N 313.176 1.842 10 10 DDCE CC(F)(F)c1cnc(Sc2nnnn2CC(=O)O)s1 2264507915 WVUMAJYMQJJYAC-UHFFFAOYSA-N 307.307 1.477 10 10 DDCE CSc1ncc(CNC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)s1 2284501851 VPEOTTXNVURFHP-SFYZADRCSA-N 315.420 1.918 10 10 DDCE CSc1ncc(CNC(=O)c2nc(C)ccc2NN)s1 2284724215 HTKQKTDNMSGBTP-UHFFFAOYSA-N 309.420 1.784 10 10 DDCE CN(Cc1ccc(N)cc1)S(=O)(=O)c1nccnc1Cl 2286431507 VAODCSBSXWZQCS-UHFFFAOYSA-N 312.782 1.533 10 10 DDCE CO[C@H]1CCC[C@@]1(NCc1cnc(SC)s1)C(=O)O 2347362234 OGOUTZREYXGDBU-CABZTGNLSA-N 302.421 1.977 10 10 DDCE COc1ccc(O)c(CNC(=O)[C@@H](C)NC(=O)c2ccco2)c1 114541742 JCFCYLGHYFOUMP-SNVBAGLBSA-N 318.329 1.429 10 10 DDCE CN(CCCO)c1cc2c(cc1Br)[C@@H](N)C(=O)N2 302344494 FHXVIXXZCQKLSR-LLVKDONJSA-N 314.183 1.220 10 10 DDCE CCNCc1cc(F)c(N(C)[C@@H]2CCS(=O)(=O)C2)c(F)c1 62711351 UEHRLPSJDWFUTH-LLVKDONJSA-N 318.389 1.698 10 10 DDCE Cc1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H](C)C2)c1O 123402264 JGCRVTOBZOQRMX-JTQLQIEISA-N 303.811 1.973 10 10 DDCE CCOCCONC(=O)/C=C/c1ccc(N2CCOCC2)cc1 186946119 QPPARSVRRMPGFW-VMPITWQZSA-N 320.389 1.621 10 10 DDCE CC1(C)CN(S(=O)(=O)CCOc2ccc(N)cc2)CCO1 70490666 AFCNIOWTDUUCKB-UHFFFAOYSA-N 314.407 1.088 10 10 DDCE CCS(=O)(=O)CCOc1ccc(N2CCCNCC2)cc1 43461591 BOHKOFFGBHMPKR-UHFFFAOYSA-N 312.435 1.300 10 10 DDCE CC(=O)C(=O)COC(=O)c1cn(-c2cccc(Cl)c2)nn1 808540261 QZPGQUAKDRWYGF-UHFFFAOYSA-N 307.693 1.236 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 808521557 WFOOWNBMTJWMDC-NEPJUHHUSA-N 304.298 1.263 10 10 DDCE NS(=O)(=O)c1cc2c(s1)CCN(Cc1ccccc1O)C2 827769307 HXPLPOKMWBLESR-UHFFFAOYSA-N 324.427 1.659 10 10 DDCE COc1cccc(CNC(=O)[C@H]2CCc3nc[nH]c3C2)c1O 830540431 JNMAXHPLTWHWFU-JTQLQIEISA-N 301.346 1.545 10 10 DDCE C[C@H](CNC/C=C\c1ccc(N(C)C)cc1)N1CCN(C)CC1 835037696 LHXMNAWEQCHXBU-KEGWNNHHSA-N 316.493 1.991 10 10 DDCE CC(C)N1CCC([C@H]2C[C@H]2NC(=O)c2cc(O)nc(O)c2)CC1 585503878 FWPFYPGNAIOWAV-ZIAGYGMSSA-N 319.405 1.732 10 10 DDCE N[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)C12CCC2 925499829 ATUZRUFQIQSRBL-SJORKVTESA-N 301.434 1.883 10 10 DDCE COC[C@H](CC(C)(C)C)NC(=O)C(=O)Nc1ccc(N)cc1 848601704 HIGHGMCTZATOEZ-ZDUSSCGKSA-N 307.394 1.775 10 10 DDCE C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)[C@H]1[C@H]2CN[C@H]1C2 925762125 HPVHQEWUJIEMET-JZGRTCEGSA-N 314.477 1.524 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@](C)(O)C3CC3)C2)cc1 855225352 KJDRVADSFVZMGU-CXAGYDPISA-N 304.390 1.551 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)C2CC(O)C2)c([N+](=O)[O-])c1 758917387 LCOOSCXVLUZSMK-XQRVVYSFSA-N 306.318 1.741 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3OCCO[C@@H]3C)CC2)cc1 929251134 SLCRNBUQEKCLFU-CZUORRHYSA-N 320.389 1.148 10 10 DDCE COc1ccc(O)c(CNC(=O)NCCO[C@@H]2CC2(F)F)c1 853736719 LJWFDSQZBSSQPA-GFCCVEGCSA-N 316.304 1.624 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)C3CC3)C2)cc1 852455218 SOOAURKONSGSDS-BBRMVZONSA-N 319.405 1.344 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cc(C=O)n(C)n2)cc1F 931147461 USDRKTFJHRAJFV-UHFFFAOYSA-N 304.325 1.368 10 10 DDCE CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2cc([N+](=O)[O-])ccc2O)C1 850354083 VCTLAQDPUPKQGV-KCPJHIHWSA-N 324.377 1.956 10 10 DDCE CCC[C@@H](NC(N)=O)C(=O)NCc1ccc2cccnc2c1O 862026911 CQPSYYMTLHSWBY-GFCCVEGCSA-N 316.361 1.394 10 10 DDCE C[C@@H](NC(=O)c1ccoc1)C(=O)N1Cc2cccc(O)c2C1 871200834 JVWFYUYUJAFLEX-SNVBAGLBSA-N 300.314 1.646 10 10 DDCE O=[N+]([O-])c1cc(Cl)cc(CNC[C@H](O)C(F)(F)F)c1O 788975115 DLSDKCICZNOGLC-QMMMGPOBSA-N 314.647 1.967 10 10 DDCE CC(=O)c1cc(F)cc(CN2C[C@H](O)CC(F)(F)C2)c1O 787363954 QBCAWBKWEVYWDK-LLVKDONJSA-N 303.280 1.936 10 10 DDCE CCON(C)C(=O)CNC(=O)c1cc2cc(O)c(O)cc2s1 898279818 NKEXFNDJKLBAIS-UHFFFAOYSA-N 324.358 1.452 10 10 DDCE CC(C)N1CCC[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C1 1150487645 HADQAVFRBVAEHE-CQSZACIVSA-N 306.406 1.877 10 10 DDCE NC(=O)NCc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 1302787424 NDBMUPIRPUHUNG-UHFFFAOYSA-N 311.341 1.717 10 10 DDCE Oc1n[nH]c(CNCc2cc(Br)cc(F)c2O)n1 715715968 AXSWZIZMIJWYBL-UHFFFAOYSA-N 317.118 1.407 10 10 DDCE CNC[C@@H](C)CNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 1333531792 FVNGQQMYZBNAMZ-KGLIPLIRSA-N 320.437 1.429 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc2c(c1)NC(=O)CO2 1290015471 IXYDMPCXLYNTOX-UHFFFAOYSA-N 314.297 1.610 10 10 DDCE O=C(CNC(=O)c1cccc(F)c1)NCc1c(O)cccc1F 1456101594 SSXMQHRFAQVVRL-UHFFFAOYSA-N 320.295 1.717 10 10 DDCE CC[C@H](CNC(=O)CNC(C)=O)NCc1ccc(OC)c(C)c1 1715054324 YFYAAUDFGCGEKB-OAHLLOKOSA-N 321.421 1.124 10 10 DDCE COCc1nc(CNC(=O)Cc2ccc(O)c(O)c2)cs1 1625417737 QNFHWXNINYTOQR-UHFFFAOYSA-N 308.359 1.560 10 10 DDCE NC(=O)c1ncccc1C(=O)NCc1cccc(Cl)c1O 1558757116 PXXAHEQMWAVSDS-UHFFFAOYSA-N 305.721 1.470 10 10 DDCE O=C(Cn1c(=O)oc2ccccc21)NCc1c(O)cccc1F 1638862549 ASMBGTVWTHSCLK-UHFFFAOYSA-N 316.288 1.756 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)Cc2ccon2)cc1C 1732949106 DPHBQRJFNVWJQW-CYBMUJFWSA-N 317.389 1.829 10 10 DDCE C[C@@H](NCc1nc(CS(C)(=O)=O)no1)c1ccccc1O 1655346367 HVFQZTQMRBMWNE-SECBINFHSA-N 311.363 1.171 10 10 DDCE CNCc1ccc(N2CCNC(=O)CC2)cc1C(F)(F)F 167377862 DPWBJNKWQYKYHB-UHFFFAOYSA-N 301.312 1.751 10 10 DDCE COC(=O)C1=C(C)N(C)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 6172121 IYDMJQPSBZSAQX-XYOKQWHBSA-N 302.286 1.897 10 10 DDCE O=C(NC[C@H]1CSCCS1)c1cc(O)c(O)c(O)c1 2132348244 HFUTVYPLYDGUIJ-QMMMGPOBSA-N 301.389 1.382 10 10 DDCE CN(C)c1ccc2c(c1)CN(C(=O)CN1CCCC1=O)CCO2 827968114 WNNDPBHPTKGIMV-UHFFFAOYSA-N 317.389 1.096 10 10 DDCE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1[C@H](N)c1ccccc1O 1936974447 NUVLMOUGAOAGGJ-UKRRQHHQSA-N 321.421 1.943 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@H]1C[C@@H]1N 1952194624 AMDNNWMTYONHRM-SDDRHHMPSA-N 308.378 1.881 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(C(=O)C(=O)C[C@H]2C[C@H](N)C2)CC1(C)C 1980371508 WLDKMJJWFNIITG-DINDLPBHSA-N 324.421 1.945 10 10 DDCE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(O)c(O)c1 1982317042 JTQZVPJZCAFGCA-SNVBAGLBSA-N 324.377 1.988 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NC(=O)c1ccc(O)c(O)c1 1984416120 VFPDFYIBBBFQMP-WDEREUQCSA-N 322.361 1.741 10 10 DDCE CCC(C)(C)OCCNS(=O)(=O)Cc1ccc(N)cc1 308524317 WKZVBUNZIHQNCD-UHFFFAOYSA-N 300.424 1.893 10 10 DDCE CNCc1ccc(N(C)C2CCS(=O)(=O)CC2)c(F)c1 694188101 YYULWNROTGPMNX-UHFFFAOYSA-N 300.399 1.559 10 10 DDCE CCNC(=O)c1cnn([C@@H](C)c2ccc(OC)cc2O)c1O 2070465684 WSPKAJXIXMIIJH-VIFPVBQESA-N 305.334 1.662 10 10 DDCE OCc1ccc(N2CC[C@H](O)C[C@H]2CO)cc1Br 2080492459 RHOUYJFLZACKIB-RYUDHWBXSA-N 316.195 1.263 10 10 DDCE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cc(O)nc(O)c2)C1 2095715176 KNGYNOUNEQLHBN-ONGXEEELSA-N 308.334 1.106 10 10 DDCE COc1ccc(Br)c(CNO[C@@H]2CCOC2)c1O 2220457943 YVXVHRDWWHPYHQ-MRVPVSSYSA-N 318.167 1.973 10 10 DDCE Cc1cc([C@@H](C)O)ccc1N(C)CCN(C)S(C)(=O)=O 2240840440 TVSQGMLQQWEYMS-GFCCVEGCSA-N 300.424 1.376 10 10 DDCE CC[C@H]1C(=O)N[C@H](CC)C(=O)N1Cc1cnc(SC)s1 2284669000 ZANYFZKXIXPZCH-ZJUUUORDSA-N 313.448 1.881 10 10 DDCE CCCS(=O)(=O)C[C@@](C)(Sc1nccs1)C(=O)O 2327002296 LUDWULZBWKLROJ-SNVBAGLBSA-N 309.434 1.903 10 10 DDCE Cc1ccc(CN[C@H]2CC(=O)N(C)C2)c(O)c1Br 2327620636 FWDVUSIZSKMZGG-JTQLQIEISA-N 313.195 1.783 10 10 DDCE CSc1ncc(CN[C@@](C)(CCN(C)C)C(=O)O)s1 2349496321 OFTYWQPNNSPLNU-LBPRGKRZSA-N 303.453 1.750 10 10 DDCE CCN(C(=O)/C=C/c1cncc(C(=O)NC)c1)c1ccncc1 117663717 VUSUPAHGKGXDBM-SNAWJCMRSA-N 310.357 1.903 10 10 DDCE COC(=O)/C=C/c1ccc(N2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 78679709 UGEFCOGRFOUGSI-HOSRBBHYSA-N 319.317 1.235 10 10 DDCE Cc1sc(NN(C)S(=O)(=O)C2CC2)nc1CCC(=O)O 2365272484 UHLWXLNGCZYHFT-UHFFFAOYSA-N 319.408 1.220 10 10 DDCE C[C@@H](O)C[C@@H]1CCCN1c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 133148322 VFHQCCFPEGXWCM-ZJUUUORDSA-N 321.333 1.665 10 10 DDCE Nc1ccc(CCNC2=NS(=O)(=O)c3ccccc32)cc1 40675804 LQRMJBNEEVSFMX-UHFFFAOYSA-N 301.371 1.550 10 10 DDCE CCS(=O)(=O)N1CC(CNCc2ccc(N(C)C)cc2)C1 190284829 FVLFMSLETCVVMT-UHFFFAOYSA-N 311.451 1.124 10 10 DDCE CO[C@H](C)CCS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1 2165540466 JESYXRKHIUIQBY-MRVPVSSYSA-N 303.336 1.257 10 10 DDCE CC[C@H](O)CC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 819589328 CTPBWGSKZVGIGT-HIFRSBDPSA-N 306.406 1.799 10 10 DDCE CN1CCN(c2ccc(CN3C[C@@H]4COC[C@@]4(C)C3)cc2)CC1 827280053 CZLLBUMIYOTQFT-IEBWSBKVSA-N 315.461 1.907 10 10 DDCE CNS(=O)(=O)[C@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 733301641 VRLUVTRIZYTRDO-HNNXBMFYSA-N 324.446 1.395 10 10 DDCE CO[C@@H](C)C(=O)Nc1ccc(O)c(CNC(=O)[C@@H](C)OC)c1 923123407 LQFHCOFEMCZCOL-ZJUUUORDSA-N 310.350 1.017 10 10 DDCE Nc1ccc(CCNS(=O)(=O)c2ccnn2C2CCC2)cc1 923635155 BHZMPIBXQBPTGF-UHFFFAOYSA-N 320.418 1.711 10 10 DDCE CO[C@@H]1CCn2cc(C(=O)NCc3c(O)cccc3F)nc2C1 928710263 RYTPNUAJTHMPNZ-SNVBAGLBSA-N 319.336 1.619 10 10 DDCE Cn1cc(/C=C2/SC(N3CCOCC3)=NC2=O)c(Cl)n1 857202783 TZKVAUDRDZVMAF-RMKNXTFCSA-N 312.782 1.376 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCC[C@@H](C)O)C2)cc1 854299343 OLDRJDHCOMQTHU-CHWSQXEVSA-N 307.394 1.344 10 10 DDCE CC[C@@H]1[C@@H](C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)CCN1C 867302281 NBWKENKNUUFJLL-FPMFFAJLSA-N 306.406 1.875 10 10 DDCE NC(=O)C[C@@H]1CN(Cc2cc3c(cc2O)CCCC3)CCO1 863325757 FFEROVAUXIXUNH-OAHLLOKOSA-N 304.390 1.347 10 10 DDCE CC[C@@H]1[C@@H](C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)CCN1C 867302282 NBWKENKNUUFJLL-KWCYVHTRSA-N 306.406 1.875 10 10 DDCE O=C(CCS(=O)(=O)C1CCCC1)N1Cc2cccc(O)c2C1 871200574 GSWSXDZWGQODQM-UHFFFAOYSA-N 323.414 1.982 10 10 DDCE Cc1cc(O)ncc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 773745945 REIROIVFOVUCBR-SNVBAGLBSA-N 302.330 1.868 10 10 DDCE Cc1cn2c(n1)CN(C(=O)NCc1ccc(N(C)C)cc1)CC2 782252104 UGIWNIYPRLFBIO-UHFFFAOYSA-N 313.405 1.983 10 10 DDCE Cn1nc([C@@H]2CCCO2)cc1NC(=O)Cc1ccc(O)c(O)c1 1140037772 XNLNQTIZPHQUCD-AWEZNQCLSA-N 317.345 1.864 10 10 DDCE Nc1ccnn1CC(=O)NCc1cc(Cl)cc(Cl)c1O 1298842202 SLKPIPXUCYWXED-UHFFFAOYSA-N 315.160 1.794 10 10 DDCE C[C@H](NC(=O)[C@@H]1CCc2nnc(O)n2C1)c1ccccc1O 1557969609 XSRJUAROSDGNET-VHSXEESVSA-N 302.334 1.129 10 10 DDCE C[C@@H](NC(=O)c1ccoc1)C(=O)NCc1cc(O)ccc1O 1637122275 CSORBKKAYXOSGR-SECBINFHSA-N 304.302 1.126 10 10 DDCE COC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCCO1 1634317001 NLDAILWYBVKTDS-QWHCGFSZSA-N 320.349 1.773 10 10 DDCE 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10 10 DDCE CCNC(=O)N1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 171914180 XAQTVOMNWFGZKN-UHFFFAOYSA-N 308.338 1.148 10 10 DDCE CCN1CC[C@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 1442233905 NDRTZXJGTMMUHI-INIZCTEOSA-N 303.406 1.234 10 10 DDCE C[C@H](O)CN(C)C(=O)c1cccc2c1C(=O)c1ccccc1C2=O 186184785 YFNWTZCMXADIAX-NSHDSACASA-N 323.348 1.915 10 10 DDCE COc1ccccc1/C=C1/C(=O)NC(=O)N(C(C)(C)C)C1=O 33303392 ZQAMSMGNVWCVGC-LUAWRHEFSA-N 302.330 1.956 10 10 DDCE [N-]=[N+]=NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 42012794 RDSJQYQKHNSLQX-UHFFFAOYSA-N 305.703 1.837 10 10 DDCE COc1cc(Cl)c(N2C[C@H](CO)C[C@@H]2CO)c(OC)c1 2368266806 JQYHJZYGOJMQLE-NXEZZACHSA-N 301.770 1.537 10 10 DDCE Cc1cc(I)cc([C@H]2COCCN2)c1O 238547064 CDLUAUVBMPQOSN-SNVBAGLBSA-N 319.142 1.966 10 10 DDCE Cn1cc(NC(=O)/C=C\c2ccc(N3CCOCC3)cc2)nn1 606444195 RUQYYRGMBOFXCR-DAXSKMNVSA-N 313.361 1.304 10 10 DDCE CCOC(=O)[C@H](CCOC)NC(=O)c1ccc(C)c(O)c1O 281750036 SWDSFISNMJXIMB-NSHDSACASA-N 311.334 1.104 10 10 DDCE C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2O)CC(=O)N1C 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CN(CCN=[N+]=[N-])C(=O)Cn1cc(NC(=O)OC(C)(C)C)cn1 1985096660 UVQUMUSLILLBJL-UHFFFAOYSA-N 323.357 1.999 10 10 DDCE C[C@H](CC(N)=O)N(C)Cc1cc(Br)cc(F)c1O 2033937861 KOQNNMNUCAZJSK-SSDOTTSWSA-N 319.174 1.990 10 10 DDCE O=S1(=O)CC(CNCc2cc(Cl)cc(Cl)c2O)C1 706507754 IROKRTVCOPJZKT-UHFFFAOYSA-N 310.202 1.833 10 10 DDCE CN1CC[C@@H](N(C)c2ccc(CN)c(Br)c2)C1=O 690232598 KMIYCGHZEKFDEU-GFCCVEGCSA-N 312.211 1.575 10 10 DDCE Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(O)c(O)c1 2063585897 AIXIQJUKSGLIOE-IAQYHMDHSA-N 317.345 1.938 10 10 DDCE Oc1ccc(Br)cc1CN[C@H]1CCc2nncn2C1 2103716388 UAJHVWQZBKWSCX-NSHDSACASA-N 323.194 1.851 10 10 DDCE NCc1ccc(N2C[C@@H](O)C[C@@H](F)C2)cc1Br 2213887428 FYUNIBKOWDWFLZ-KOLCDFICSA-N 303.175 1.817 10 10 DDCE Cc1cc(N(C)CCS(=O)(=O)N(C)C)ccc1[C@@H](C)O 2285168366 CJRGQVNRAJKGPY-GFCCVEGCSA-N 300.424 1.376 10 10 DDCE COC(=O)C=Cc1ccc(N(CCO)C(C)C)c([N+](=O)[O-])c1 2298125799 LPJCPLQKVCRGPR-UHFFFAOYSA-N 308.334 1.988 10 10 DDCE Cc1ccc(CN2C[C@H](O)[C@@H](CO)C2)c(O)c1Br 2327796390 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575302929 QEWWMNIWIODSDZ-HNNXBMFYSA-N 310.369 1.913 10 10 DDCE CN(C)c1ccc(CNC(=O)C2C[C@H]3CNC[C@@H](C2)C3=O)cc1 825973877 SBLSFDQUNHDKSL-GOOCMWNKSA-N 315.417 1.184 10 10 DDCE O=C(c1c[nH]nc1[C@@H]1CCNC1)N1CCc2c(F)cccc21 662791330 JUMAZYGVNWFHBL-SNVBAGLBSA-N 300.337 1.829 10 10 DDCE CCN(CCC(N)=O)C(=O)NCc1ccc(N2CCCC2)cc1 914180567 RCAGHQHWMMBGQC-UHFFFAOYSA-N 318.421 1.694 10 10 DDCE O=C(NCC[C@@]1(O)CCOC1)NCc1cc(Cl)ccc1O 845458647 GWUCDDVVGRMKLE-CQSZACIVSA-N 314.769 1.386 10 10 DDCE CCOc1ccc(CN2CCN(c3nncn3C)CC2)c(O)c1 848924856 DTOLCMFKRZDWSV-UHFFFAOYSA-N 317.393 1.242 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)/C=C/[C@H]3CCOC3)C2)cc1 855223125 FCMZTYUXMVGXEM-QUUPVZGFSA-N 316.401 1.983 10 10 DDCE CN1C[C@H](CCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1=O 927746572 NUEQPZKOIYVRGP-OGOUPESXSA-N 304.346 1.096 10 10 DDCE C[C@@]12CNC[C@]1(C)CN(C(=O)NCCc1ccc(N)cc1)C2 861641694 WKUXCMRQONAUQL-CALCHBBNSA-N 302.422 1.452 10 10 DDCE COCCN(C)C(=N)NCc1cc(Br)ccc1O 871605447 FMMNBPHFSGBIPT-UHFFFAOYSA-N 316.199 1.757 10 10 DDCE Cc1nc([C@H]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)n[nH]1 1162028699 GXZLVHXTXPUUDT-PYEVWLCESA-N 314.345 1.554 10 10 DDCE CC[C@@]1(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)CCNC1 1327865861 URKNHPXAFCDAFH-KBXCAEBGSA-N 317.433 1.780 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)n3ccnc3)C2)cc1 1331230855 YAENJTRSEQYXAG-UONOGXRCSA-N 314.389 1.848 10 10 DDCE CCC(CC)N1C[C@H](C(=O)NCc2cccc(O)c2O)CC1=O 1347531005 OCFQRGXLNVGPGM-GFCCVEGCSA-N 320.389 1.751 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](OCCO)C2)cc1 1447721350 DURYTJPXMRQPIE-CYBMUJFWSA-N 320.349 1.463 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1cccnc1-n1cccn1 1442037182 JJIPAIDAHMJAID-UHFFFAOYSA-N 324.340 1.537 10 10 DDCE CN1CCC(O)(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1628780021 NOCSUMKLDNMIAM-UHFFFAOYSA-N 319.365 1.036 10 10 DDCE NC(=O)c1ncc(NC(=O)/C=C\c2ccc(O)c(O)c2)s1 1637846060 VGSYTAGQEXLSIF-RQOWECAXSA-N 305.315 1.305 10 10 DDCE C[C@H](NC(=O)c1ccnc2[nH]nnc12)c1ccc(N(C)C)cc1 1633315310 LAQJLZJQRUSRTD-JTQLQIEISA-N 310.361 1.910 10 10 DDCE COc1cccc(CNC(=O)c2ccc(NC(C)=O)cn2)c1O 1630365806 DQPNYELJVLKZGZ-UHFFFAOYSA-N 315.329 1.684 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(c2ncon2)CC1 1652263071 LSZDSVDAQZAAHH-DUXPYHPUSA-N 315.329 1.900 10 10 DDCE COc1cc(/C=C2\SC(NCCC(=O)O)=NC2=O)ccc1O 6580681 LJTKMPPIGDTSDV-XFFZJAGNSA-N 322.342 1.435 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cccc(-n2cncn2)c1 159103772 ZVPWUQIXWPCCCU-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE Nc1ccc(CC(=O)N2CCN[C@H](c3ccccc3)C2=O)cc1 1866324163 IASBPGQMYSGNAL-QGZVFWFLSA-N 309.369 1.511 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1Br 2136611929 YEWMHCGWGXUXEJ-UVRHIYEWSA-N 324.222 1.636 10 10 DDCE CCOC(C)(C)CS(=O)(=O)NCc1cc(N)ccc1O 2144948005 QDDZUBXIPMHBAP-UHFFFAOYSA-N 302.396 1.209 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NC(=O)c1cccc(O)c1O 1984415708 RDBJOIISSVNEEI-GXSJLCMTSA-N 322.361 1.741 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NC(=O)Cc1ccc(N)cc1 1984418510 KIRBWXSEESDTTQ-JSGCOSHPSA-N 319.405 1.841 10 10 DDCE NC[C@@H]1COCCN1Cc1cc(Br)cc(F)c1O 2035629824 OGMMHLIPADSOGU-SNVBAGLBSA-N 319.174 1.453 10 10 DDCE Cc1cccc(CNCCNS(=O)(=O)C(F)(F)F)c1O 2159526118 ZHILNSPEAOYYGA-UHFFFAOYSA-N 312.313 1.229 10 10 DDCE CCS(=O)(=O)[C@H]1CSCCN1CCc1ccc(N)cc1 90926515 KQKMXCMFHXALBN-AWEZNQCLSA-N 314.476 1.621 10 10 DDCE CN1C[C@H](CNCc2cc(Br)ccc2O)CC1=O 723600564 UDMSWMOOFZDEPK-VIFPVBQESA-N 313.195 1.723 10 10 DDCE CCCN(CCS(C)(=O)=O)c1ccc([C@H](C)O)c(O)c1 2170165311 VINJWQKYZOBYEM-NSHDSACASA-N 301.408 1.707 10 10 DDCE N[C@@H]1CCN(Cc2ccc(Br)cc2O)C[C@H]1CO 2058542310 PJQDMEZLMGKXNN-CMPLNLGQSA-N 315.211 1.296 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCN1c1ccc(CN)cc1Cl 2094925672 AYAQOECFKAVDEJ-NSHDSACASA-N 302.827 1.812 10 10 DDCE Oc1ccc(Br)cc1CN[C@H]1CCn2cnnc2C1 2228334161 HFQRMNVKYYLXFO-NSHDSACASA-N 323.194 1.851 10 10 DDCE COc1c(Cl)nc(O)n(Cc2cnc(SC)s2)c1=O 2269320996 YRIIWSOIOASOBB-UHFFFAOYSA-N 319.795 1.838 10 10 DDCE C[C@@H](N)c1ccc(N2CC(O)(C(F)(F)CO)C2)cc1Cl 2288532627 KURYJFPHBWOFLP-MRVPVSSYSA-N 306.740 1.538 10 10 DDCE CS(=O)(=O)c1cscc1NC(=O)Cc1ccc(N)cc1 2288553255 TYVDKWCOCTVTCO-UHFFFAOYSA-N 310.400 1.915 10 10 DDCE Cc1ccc(C)n1-c1ccc(C(=O)NCCNC(N)=O)cc1 118656396 LNONSSLGDTYMHE-UHFFFAOYSA-N 300.362 1.492 10 10 DDCE COc1ccccc1S(=O)(=O)NCCc1ccc(N)cc1 63129961 YLOSPKODJGQYHJ-UHFFFAOYSA-N 306.387 1.798 10 10 DDCE O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1cccc(O)c1O 188459425 DJTFTCNDSHYFRM-ZDUSSCGKSA-N 312.325 1.633 10 10 DDCE N=c1[nH]c(Cl)c(Cl)c(=NCCOc2ccc(N)cc2)[nH]1 2362785279 XXVGCSVCMYNOEL-UHFFFAOYSA-N 314.176 1.691 10 10 DDCE O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1CCO 210387234 XYLDZWUGKZCNHP-JXMROGBWSA-N 310.356 1.788 10 10 DDCE CNCc1ccc(N2CCNC(=O)CC2)c(Br)c1 234449957 WHFAWVSWASJBBJ-UHFFFAOYSA-N 312.211 1.495 10 10 DDCE O=C(NCc1cccc(Br)c1O)NCC1COC1 528307531 LDSVZGRYDXOESF-UHFFFAOYSA-N 315.167 1.600 10 10 DDCE CCOc1cccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1O 363263802 BTXBIJJITZNADP-BNOWGMLFSA-N 304.390 1.890 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cnc(OCC2CC2)cn1 802784410 OMMFDJCXVCQVSJ-UHFFFAOYSA-N 315.329 1.607 10 10 DDCE Nc1ccc(Cc2nn(CC(=O)O)c(=O)c3ccccc23)cc1 821187553 YDQIXEQRITYEAD-UHFFFAOYSA-N 309.325 1.654 10 10 DDCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)NCCCCCO 588612178 LKVMWZXVEUDIGP-TWGQIWQCSA-N 318.417 1.815 10 10 DDCE O=S(=O)(Cc1noc2c1CCCC2)NCc1ccccc1O 914140668 LTUVSWDQQQDZHC-UHFFFAOYSA-N 322.386 1.879 10 10 DDCE CCN(CC)c1ccc(CN2CCC[C@](O)(CO)C2)cc1F 839160133 QRNWVIIUKVJOAQ-QGZVFWFLSA-N 310.413 1.991 10 10 DDCE CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@H](CO)C1 912736548 XBLJPWBFCGNXLQ-JTQLQIEISA-N 322.386 1.061 10 10 DDCE COc1ccc(N2CC[C@@H](COC(=O)c3cnn(C)n3)C2)cc1 842875408 LRJJUTRYUZFUFZ-GFCCVEGCSA-N 316.361 1.507 10 10 DDCE COC(=O)CC1(NCC(=O)NCc2ccc(N(C)C)cc2)CC1 844386554 NISYNNYVOVTEQO-UHFFFAOYSA-N 319.405 1.054 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@H]([C@@H](C)O)C1 840302567 QLROSSPRIQURPX-CJNGLKHVSA-N 321.421 1.352 10 10 DDCE C/C=C/[C@H](O)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 911277010 QQKQWZVSDDCPDW-GJZCMGGKSA-N 304.390 1.575 10 10 DDCE CCOc1ccc(CN2CN(CCN(C)C)C(=O)[C@@H]2C)c(O)c1 843428626 LEZHIYVSZZJHFE-ZDUSSCGKSA-N 321.421 1.343 10 10 DDCE CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)/C=C/c1ccc(O)c(O)c1 840560066 PQHHBKCZOALMHT-GBVBUYCNSA-N 318.373 1.627 10 10 DDCE COC(OC)[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 922311290 DHMWPCZKADVKMR-GFCCVEGCSA-N 312.385 1.759 10 10 DDCE CCN(OC)C(=O)CNCc1c(O)cccc1Br 858182187 JZVYAEHTUCIHFP-UHFFFAOYSA-N 317.183 1.654 10 10 DDCE CN1CCN(c2ccc(CN[C@H](CO)C3CCC3)cc2)CC1 850350398 RGCCIFDKRIAWKS-GOSISDBHSA-N 303.450 1.689 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](O)CCSC)C2)cc1 855233789 MVAKNEUDCGSGPP-WFASDCNBSA-N 324.446 1.504 10 10 DDCE CCCC(=O)NCC(=O)NCc1ccc2cccnc2c1O 862027863 HSIAJFWMOHJTSP-UHFFFAOYSA-N 301.346 1.473 10 10 DDCE C[C@H](NS(=O)(=O)c1cnc(Cl)n1C)c1ccccc1O 867833883 FFPBYEXNLNMYIJ-QMMMGPOBSA-N 315.782 1.819 10 10 DDCE COC(=O)c1cc(OCC[C@H]2CCNC2=O)ccc1N(C)C 865395064 HUYJWMCEIWKEQD-LLVKDONJSA-N 306.362 1.444 10 10 DDCE O=C(NCc1ccccc1O)[C@@H]1OCCO[C@@H]1C(F)(F)F 866755516 KRMPVZHLVZRWFK-MNOVXSKESA-N 305.252 1.355 10 10 DDCE Cc1ccc(O)c(CNS(=O)(=O)CCOCC2CCC2)c1 1118821283 CWEOGLSNXWYMIF-UHFFFAOYSA-N 313.419 1.937 10 10 DDCE COc1nsc(OC)c1C(=O)NCc1c(O)cccc1O 1304053621 PQMHVUWIBAHXKO-UHFFFAOYSA-N 310.331 1.502 10 10 DDCE Cc1ccc(C(=O)N2CCC(Cc3ncon3)CC2)c(O)c1O 1303862352 XOCIZSPFQAJAKA-UHFFFAOYSA-N 317.345 1.884 10 10 DDCE Cc1ccc(C(=O)NC[C@H](O)Cc2ccccc2F)c(O)c1O 1303692726 BZLZQDFDAXNCEA-GFCCVEGCSA-N 319.332 1.879 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1C[C@@H]2C[C@@H]2C1 1328082509 XCNGNAIIDGFFIA-QDMKHBRRSA-N 315.417 1.592 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@@](C)(CC(=O)O)C(=O)O)cc1 1350669104 XUKJOMCMGXFFDN-VGOKWCNXSA-N 320.389 1.921 10 10 DDCE C[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C1CC1 1295539103 OQGQCEJAHMAIPO-VIFPVBQESA-N 317.349 1.494 10 10 DDCE O=C1C[C@H](C(=O)NCc2cc(O)ccc2O)[C@H]2CCCC[C@@H]2N1 1471662069 MPIUBDFGIWLLTP-RDBSUJKOSA-N 318.373 1.409 10 10 DDCE C[C@H](O)CN[C@@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1480811783 FDJBYQDETNEVAD-QWRGUYRKSA-N 321.381 1.328 10 10 DDCE O=C(Cc1nc[nH]n1)NCc1cccc(Br)c1O 1623365015 WLUOLOFNQGBSKL-UHFFFAOYSA-N 311.139 1.132 10 10 DDCE CCOC(=O)C[C@@H](O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 1567777588 YIDVOQXABNBRAM-BXUZGUMPSA-N 308.378 1.244 10 10 DDCE COc1cccc(CNC(=O)C[C@H](C)c2cnn(C)c2)c1O 1631539931 GVGVSIYFDOYNOB-NSHDSACASA-N 303.362 1.944 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cccc2nc(O)oc12 1639292609 JXTZZUVCQNOUGZ-UHFFFAOYSA-N 300.270 1.875 10 10 DDCE COC(=O)CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1635684316 LBUJTHANTXRVOC-UHFFFAOYSA-N 304.306 1.627 10 10 DDCE COc1ccc(C(=O)NCc2ccc(O)cc2O)c(N)c1F 1570463675 WLAORSPPMRGFFJ-UHFFFAOYSA-N 306.293 1.758 10 10 DDCE CC(C)(C)N1CC[C@@](F)(C(=O)NCc2cc(O)ccc2O)C1 1651225362 GVJNTBJZCSWXNC-INIZCTEOSA-N 310.369 1.927 10 10 DDCE C[C@H](NC(=O)c1cccc(OCC(N)=O)c1)c1ccccc1O 1587447009 GVORFTPMMPWFFQ-NSHDSACASA-N 314.341 1.747 10 10 DDCE COc1ccc(CNC[C@H](O)CN(C)C(=O)[C@@H]2C[C@H]2C)cc1C 1677103427 DWHWPKFWJKNCGK-UHOFOFEASA-N 320.433 1.569 10 10 DDCE C[C@H](CNC(=O)c1cc(O)c(O)c(O)c1)CC1(C)OCCO1 2132401264 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Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCCc4cccnc43)c2n1 2063825172 PISQDSJDWTTZTO-CYBMUJFWSA-N 323.356 1.946 10 10 DDCE CNCc1ccc(N2CCS(=O)(=O)C(C)(C)C2)c(F)c1 2170268733 MUHMASQIFMWEAN-UHFFFAOYSA-N 300.399 1.559 10 10 DDCE CC1(C)[C@H](O)[C@@H](O)CN1c1ccc(CN)cc1Br 2060874972 LXWQWEGZYSRQCC-NWDGAFQWSA-N 315.211 1.228 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(O)c(N)c1 2227843435 QATSSTAKKZDLQQ-UHFFFAOYSA-N 302.743 1.162 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@H]2CC[C@H](N)C2)s1 2269095155 LVMBQQILHCRBDV-IUCAKERBSA-N 321.493 1.412 10 10 DDCE COc1cc(OC)c(N2CC[C@H](O)C[C@H]2CO)cc1Cl 2285866326 GZAMHXUHZOEPRQ-UWVGGRQHSA-N 301.770 1.679 10 10 DDCE O=S(=O)(CCCNCc1cccc(O)c1O)C(F)(F)F 2286429302 QMOPZSFDMPMRQQ-UHFFFAOYSA-N 313.297 1.512 10 10 DDCE CNC(=O)[C@@H]1CN(C(=O)/C=C/c2cnccn2)c2ccccc2O1 491116169 BRNQCXFQMADFOS-LFAOLKIESA-N 324.340 1.030 10 10 DDCE NC(=O)[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2cnccn2)C1 491888131 VUXOVVJUBAHPTC-URWSZGRFSA-N 308.341 1.181 10 10 DDCE CC[C@H](O)CN1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1 2307987093 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CN(CCC(=O)O)S(=O)(=O)Nc1ccc(O)c(Cl)c1 232389220 JMZBDEWWTCMTAZ-UHFFFAOYSA-N 308.743 1.109 10 10 DDCE COCCN1CCN(Cc2cc(Cl)c(F)cc2O)CC1=O 293593180 KMZXHUFTELHQIK-UHFFFAOYSA-N 316.760 1.475 10 10 DDCE CN(C)c1ccc(CNC(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)cc1F 291362548 UPSHVWHKIFFJIM-IPYPFGDCSA-N 321.396 1.947 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC(C)(CO)C2)c([N+](=O)[O-])c1 829032139 KCOYWRPZXNKJLL-GQCTYLIASA-N 306.318 1.600 10 10 DDCE CC(=O)[C@@](C)(O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 828669494 LVGXAEJMQKGQAE-DYVFJYSZSA-N 306.406 1.514 10 10 DDCE CO[C@@H]1COCC[C@@H]1N(C)C(=O)/C=C\c1ccc(O)c(O)c1 921927052 CVIJQRGMSTVWOR-NTMLRVMTSA-N 307.346 1.373 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@@H](O)C(F)(F)C2)cc1 853244357 JLNKWEGZBYVPNL-CYBMUJFWSA-N 313.348 1.664 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCO[C@@H](CCF)C2)cc1 859904569 INGAJKYWYMHMES-INIZCTEOSA-N 323.412 1.429 10 10 DDCE C[C@H](NC1CN(c2ccncn2)C1)c1cc(F)cc(F)c1O 866496192 MQOHGGAGAQBIAM-VIFPVBQESA-N 306.316 2.000 10 10 DDCE 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COc1cc(N2CCC[C@@H]2C2OCCO2)c([N+](=O)[O-])cc1OC 2144187759 VOVPOXHSYWRXDG-SNVBAGLBSA-N 324.333 1.954 10 10 DDCE CC(C)(C)OC(=O)N[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)C1(C)CC1 1980375794 CDMZUROTTYRRQR-JTNHKYCSSA-N 324.421 1.945 10 10 DDCE O=C1CCC[C@H](CNCc2cc(Br)ccc2O)N1 2028881192 MWLCGOZCOUBFHQ-LLVKDONJSA-N 313.195 1.913 10 10 DDCE Oc1cccc(Br)c1CN[C@@H]1CO[C@@H]2COC[C@@H]12 2040332844 DFJKLZZVFLMUAM-UFGOTCBOSA-N 314.179 1.658 10 10 DDCE COC(=O)c1cccc(N)c1N[C@@H](C)[C@@H](C)S(C)(=O)=O 2170601814 VQVIXIQRIADSOJ-DTWKUNHWSA-N 300.380 1.289 10 10 DDCE CN(CCS(=O)(=O)N(C)C)c1cc(Cl)c(CN)cc1F 2177385219 KBONXLFPFGMXRE-UHFFFAOYSA-N 323.821 1.265 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C12CC(CN1C1CC1)C2 2064547883 FXNVKWZHQVGQAI-YCTMXLSVSA-N 316.401 1.772 10 10 DDCE CCNC(=O)c1ccnn1[C@H](C)c1cc([N+](=O)[O-])ccc1O 2069924786 AFBZXCBGVLKUHS-SECBINFHSA-N 304.306 1.856 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)[C@@H]1CC[C@H](CO)C1 2101573312 ISCHWXOGPPPREJ-WCBMZHEXSA-N 305.783 1.948 10 10 DDCE CNCc1ccc(N2C[C@H]3C[C@H]2[C@H]3CO)c(Br)c1 2082970658 RYSHWRWOXNTBOE-SUNKGSAMSA-N 311.223 1.986 10 10 DDCE CN[C@H](C)c1cnc(Sc2nnnn2CCOC)s1 2103567578 NKRSNDIULKFJCZ-SSDOTTSWSA-N 300.413 1.208 10 10 DDCE C[C@H]1O[C@H](C)C(=O)N(c2ccc(N)c(Br)c2)C1=O 2086187595 PBJHDIGYDGZIQX-RNFRBKRXSA-N 313.151 1.698 10 10 DDCE CC[C@]1(C(=O)O)C[C@@H]1C(=O)NCc1cnc(SC)s1 2269122928 ZEPZVMSCLROHCH-PELKAZGASA-N 300.405 1.982 10 10 DDCE CN(Cc1ccccc1O)Cc1nn(C)nc1Br 2208456542 RIBKHSMKHJLNQC-UHFFFAOYSA-N 311.183 1.915 10 10 DDCE CC[C@H](C)[C@@H]1NC(=O)CN(Cc2cnc(SC)s2)C1=O 2284668418 WXJGYGIOGAXVCG-KWQFWETISA-N 313.448 1.738 10 10 DDCE CSc1ncc(CNC(=O)c2ccc(NN)nc2C)s1 2284731256 UHVBTAAIMONTJZ-UHFFFAOYSA-N 309.420 1.784 10 10 DDCE Cc1ccc(CNC[C@](C)(O)CO)c(O)c1Br 2307571247 SFBFMLSMPVXTTL-LBPRGKRZSA-N 304.184 1.296 10 10 DDCE CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccc(N(C)C)c(F)c1 57557969 QGEUOVGFAUYFQS-CYBMUJFWSA-N 310.373 1.201 10 10 DDCE CC(=O)N1CC[C@H](C(=O)NCCCSc2nccs2)C1 176653646 SLJRAEYPFQWVMR-NSHDSACASA-N 313.448 1.610 10 10 DDCE COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)Cc1ccc(O)c(O)c1 170045736 WMUMVHBFANZXON-PWSUYJOCSA-N 307.346 1.440 10 10 DDCE COC[C@@H](O)CN1CCC(N[C@@H](C)c2ccc(C)cc2O)CC1 186194846 ZNLHEOLKDMXFDZ-HOCLYGCPSA-N 322.449 1.823 10 10 DDCE C[C@H]1CN(S(=O)(=O)CCOc2ccc(N)cc2)[C@H](C)CO1 70490626 FITYMPRISBDBFQ-NEPJUHHUSA-N 314.407 1.087 10 10 DDCE COc1ccc(N2CCN(CCN3CCOC[C@@H]3C)CC2)cc1 192690926 MYSLVUGLXSGCNW-INIZCTEOSA-N 319.449 1.538 10 10 DDCE CN(C)C(=O)CN(C)c1ccc(CN)c(Br)c1F 231838953 ACRYGQOYMGXYDU-UHFFFAOYSA-N 318.190 1.571 10 10 DDCE COC[C@H](NC(=O)c1cc(C)n(-c2ccccc2)c1C)C(=O)O 263367671 AKYHQICZNURYOY-HNNXBMFYSA-N 316.357 1.924 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2[C@H]3CC[C@H]2[C@H](CO)C3)cc1 289496874 JNVXJEMPKKXUTK-XIRDDKMYSA-N 317.433 1.214 10 10 DDCE C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1cccc(O)c1O)C[C@@H](C)O2 373748146 YYUCGBZDKXSUGG-PSTGCABASA-N 321.373 1.896 10 10 DDCE CC[C@H](NC(=O)NCc1ccc(N(C)C)cc1)[C@H](O)C(F)F 296492266 XMCSVGXQJUPNRB-STQMWFEESA-N 315.364 1.956 10 10 DDCE CCOC(=O)[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)CCO1 815053182 MSICVTDLAGIATK-MRXNPFEDSA-N 306.406 1.825 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](O)Cc1ccccc1 588405117 IQFCHKBUDZMXLL-VIHMKRCTSA-N 313.353 1.831 10 10 DDCE CCOc1ccc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c(O)c1 827544900 NHTQQKRJBMPFBD-CQSZACIVSA-N 321.421 1.979 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)[C@]1(c2ccccc2)C[C@H](O)C1 901132180 RXBPQABDHOEKPJ-UJKQEGAGSA-N 313.353 1.807 10 10 DDCE Cn1nncc1/C=C1\OCCn2c1nc(Br)c2C=O 901576533 AXSAUKCJQZJUAH-WTKPLQERSA-N 324.138 1.115 10 10 DDCE CN1CCC(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)CC1 588406725 NZEQOWXKWHHSAM-XQRVVYSFSA-N 304.390 1.911 10 10 DDCE CC(=O)N[C@H]1Cc2ccccc2N(C(=O)/C=C\c2cnccn2)C1 749064673 ABLOLRBOGAEVNU-WLMCBFPDSA-N 322.368 1.584 10 10 DDCE CN(Cc1ccccc1O)C(=O)CCCn1ccc(C(=O)O)n1 911229639 HOSDATQCWVTCIN-UHFFFAOYSA-N 317.345 1.726 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(C2(O)CC2)CC1 846327883 SWUQOKDESSFSCI-DUXPYHPUSA-N 303.358 1.875 10 10 DDCE Nc1ccc(OCC(=O)NCCOCc2ccccc2)cc1 389968283 YYFPRQUPMWLOPL-UHFFFAOYSA-N 300.358 1.981 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)[C@H](O)c2cnc[nH]2)cc1 869142863 QLQSBESZANELQP-OAHLLOKOSA-N 318.377 1.047 10 10 DDCE O=C1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCCN1 896091725 JLDFWRYPPQDBPF-UHFFFAOYSA-N 306.343 1.275 10 10 DDCE COC(=O)c1cc(C(=O)NCc2ccc(O)cc2O)ccn1 1142533210 HFKRDCJHAJAFQC-UHFFFAOYSA-N 302.286 1.209 10 10 DDCE O=C(NC[C@@H](c1ccccc1)c1nc[nH]n1)c1cccc(O)c1O 1140671459 FNKPIODZIQBIBA-ZDUSSCGKSA-N 324.340 1.778 10 10 DDCE O=C(Cn1ccc(=O)c2ccccc21)NCc1ccc(O)cc1O 1142533030 CRGBPODPXYOUCD-UHFFFAOYSA-N 324.336 1.729 10 10 DDCE COc1ccc(CNCCNS(=O)(=O)C(F)F)cc1C 1964069656 AGIUJHKHMYSPLG-UHFFFAOYSA-N 308.350 1.235 10 10 DDCE C[C@@H](NCc1cc(Cl)cc(Br)c1O)[C@H](O)CO 708178455 PWVMVXSOTBFSLE-LHLIQPBNSA-N 324.602 1.639 10 10 DDCE COC(=O)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccnc1 1624517718 APFAUWZIOMKZQR-OAHLLOKOSA-N 316.313 1.066 10 10 DDCE COCCOCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1625566087 WYCLOXQULFZDOS-UHFFFAOYSA-N 308.338 1.584 10 10 DDCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1cnn[nH]1 1621866570 TXHNNPDIMIUFTH-UHFFFAOYSA-N 323.356 1.955 10 10 DDCE Nc1ncnc2cc(C(=O)NCc3cccc(O)c3O)ccc12 1558161020 FEJCJVOCKLPPLQ-UHFFFAOYSA-N 310.313 1.553 10 10 DDCE O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(O)cc1O 1639441490 WARYVPCCBFLESC-UHFFFAOYSA-N 318.285 1.701 10 10 DDCE O=C(NCc1nc(C(F)(F)F)no1)c1c(F)ccc(O)c1O 1648708818 YMVGAWLIWBLVSV-UHFFFAOYSA-N 321.186 1.569 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC(F)(F)OC(F)(F)C1 1596705515 XRLLHRKKNSDGDR-UHFFFAOYSA-N 309.215 1.685 10 10 DDCE CC[C@@H]1SC(=S)N(CCCCCC(=O)NCCO)C1=O 11636816 YIFRQLVJMSYNRI-JTQLQIEISA-N 318.464 1.294 10 10 DDCE C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cc(O)nc(O)c1 1902372333 UZKBOGMWSOHVJI-SNVBAGLBSA-N 316.313 1.608 10 10 DDCE COc1cc(Cl)cc(CNCC[C@H]2COCCO2)c1O 1967718873 ZYWQDCAMUAIAKI-LBPRGKRZSA-N 301.770 1.949 10 10 DDCE C[C@H]1CN(c2ccc(CN)cc2Br)C[C@@H](CO)O1 229945811 CEQNEEUZBVZYOH-ONGXEEELSA-N 315.211 1.494 10 10 DDCE CC(C)(C)OC(=O)N1CCNC[C@@H]1c1cc(O)c(O)c(O)c1 1952059661 ANTRVGWUEBKYER-SNVBAGLBSA-N 310.350 1.685 10 10 DDCE CCOC(=O)[C@H]1C[C@]1(N)c1cc(Br)ccc1O 1952775669 QJMJEVLBPDUSRA-SKDRFNHKSA-N 300.152 1.892 10 10 DDCE CN1C[C@@H](c2cccc(N)c2O)N(C(=O)OC(C)(C)C)CC1=O 1953012500 SHTSOINQSNTDDV-LBPRGKRZSA-N 321.377 1.725 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@@H](CS(C)(=O)=O)C2)c(F)c1 2143673161 TYAPMJHBDAFOOE-WDEREUQCSA-N 301.383 1.750 10 10 DDCE COc1ccc(N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)c(N)c1 1977931491 KIQLFTBPARXIPA-DTWKUNHWSA-N 315.295 1.629 10 10 DDCE NC[C@H]1C[C@@H](O)CN1Cc1c(O)cccc1Br 2010535187 QBKPBZLVUFXXIX-RKDXNWHRSA-N 301.184 1.049 10 10 DDCE CS(=O)(=O)[C@@H]1CSCCN1c1ccc2c(c1)CC[C@H]2O 2184743509 KTJGOKITJUASFT-ZIAGYGMSSA-N 313.444 1.590 10 10 DDCE NCc1ccc(N2CC(=O)N[C@@H]3CC[C@H]32)c(Br)c1 2049370648 JBMJOGDULZFUNC-ZYHUDNBSSA-N 310.195 1.375 10 10 DDCE CN(Cc1nnn(C)n1)c1ccc(CN)cc1Br 2077216688 OVRUSFUTDPYVTF-UHFFFAOYSA-N 311.187 1.068 10 10 DDCE Cc1cc(N2CC(S(=O)(=O)C(F)F)C2)ccc1[C@@H](C)N 2285133819 RHMYMCVQZAODFS-SECBINFHSA-N 304.362 1.841 10 10 DDCE Cc1nn(C)c(C)c1CCNC(=O)C=Cc1ccc(O)c(O)c1 2307986297 LRRWTCPSJHAMDT-UHFFFAOYSA-N 315.373 1.820 10 10 DDCE COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)OC(C)(C)OC1=O 100419363 GQAQOLGWLCGINK-UHFFFAOYSA-N 322.273 1.735 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCC(CO)CC3)cc2N1 301085051 LHNIFPRJNQQLIL-UHFFFAOYSA-N 307.306 1.134 10 10 DDCE CS(=O)(=O)CCN(Cc1cc([N+](=O)[O-])ccc1O)C1CC1 179046706 NCVYZIAOGNHIDS-UHFFFAOYSA-N 314.363 1.309 10 10 DDCE CS(=O)(=O)CCOc1ccc(N2CCC[C@H](N)C2)c(F)c1 87439568 ZZIQMSNBSXXDEO-NSHDSACASA-N 316.398 1.177 10 10 DDCE C[C@@H](O)C[C@H]1COCCN1Cc1ccc(N2CCOCC2)cc1 809768949 ZDSYOFKKJTYJNA-QAPCUYQASA-N 320.433 1.495 10 10 DDCE COc1ccc(N2CCN(CCN[C@@H](C)C[C@H](C)N)CC2)cc1 817892762 CEKVLQVTVZHGRP-HOTGVXAUSA-N 320.481 1.533 10 10 DDCE CCOc1ccc(O)c(CN2CCN(c3nccn3C)CC2)c1 827891286 GLNMKVWGTRGTEQ-UHFFFAOYSA-N 316.405 1.847 10 10 DDCE Cn1cnc(/C=C2\OCCn3c2nc(Br)c3C=O)c1 901575690 SOVYQYXPHFHVHT-WMZJFQQLSA-N 323.150 1.720 10 10 DDCE CN1CCN(c2ccc(CN3C[C@H](N)C(C)(C)C3)cc2)CC1 903987191 YEPVGOOCQHPXRN-KRWDZBQOSA-N 302.466 1.608 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@H](C)NC(N)=O 848226526 UGUIWTCOTUHQGV-OLZOCXBDSA-N 320.437 1.555 10 10 DDCE CC(=O)N[C@H]1Cc2ccccc2N(C(=O)/C=C/c2cnccn2)C1 749064666 ABLOLRBOGAEVNU-MOEXGYKKSA-N 322.368 1.584 10 10 DDCE CC(=O)C(=O)COC(=O)CC1(CNC(=O)OC(C)(C)C)CC1 842137834 JHKUFEGDPPUXKO-UHFFFAOYSA-N 313.350 1.383 10 10 DDCE CCN1C[C@@H](CN(C)c2cc(OC)c(OC)c(OC)c2)OC1=O 846807104 UBHSFTXLHJBLFQ-GFCCVEGCSA-N 324.377 1.989 10 10 DDCE CSC[C@@H]1NC(=O)N(Cc2ccc3c(c2)CCCN3C)C1=O 924542595 KSKDDJGUZHYMPW-ZDUSSCGKSA-N 319.430 1.852 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@H]1CCCCS1(=O)=O 928707231 CMLFQDFVAZJITP-GFCCVEGCSA-N 301.339 1.115 10 10 DDCE CS(=O)(=O)N1CC[C@H](COc2ccc(N3CCCC3)cc2)C1 853674909 KPCUAGSPCPZVDO-AWEZNQCLSA-N 324.446 1.947 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2n1CCOC2 854324439 KNGSIDGHMZEBGL-UHFFFAOYSA-N 314.389 1.752 10 10 DDCE COC(=O)[C@](C)(NCc1ccc(N2CCOCC2)cc1)C1CC1 930152563 QFBYFTYHRJARQA-GOSISDBHSA-N 318.417 1.955 10 10 DDCE CN1CCN(c2ccc(CNCCC3(CN)CC3)cc2F)CC1 1118295465 RNCZTXZRPBBKAY-UHFFFAOYSA-N 320.456 1.796 10 10 DDCE Cc1cccc(-n2c(C)cc(C(=O)NC[C@@H](O)[C@@H](C)O)c2C)c1 871121161 BUCKUBLVHHTKJZ-RHSMWYFYSA-N 316.401 1.874 10 10 DDCE O=C(N[C@H]1CCCN(CCF)C1)c1c(F)ccc(O)c1O 898498344 ISJPVGMXGOUKFD-VIFPVBQESA-N 300.305 1.401 10 10 DDCE COC(=O)N(C)CC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1351162056 BWAHCIICQRUROB-UHFFFAOYSA-N 319.405 1.943 10 10 DDCE O=C(/C=C\[C@@H]1CCOC1)NCc1ccc(N2CCOCC2)cc1 1625607365 GPVGUXRKPJHZIB-QQNRWZHASA-N 316.401 1.732 10 10 DDCE CCn1nc(C(=O)NCc2ccc3cccnc3c2O)ccc1=O 1627072962 JHTFFESAMYIZPC-UHFFFAOYSA-N 324.340 1.447 10 10 DDCE CSCc1n[nH]c(CNC(=O)/C=C\c2ccc(O)c(O)c2)n1 1635016154 OKYOKAYIEGGNOA-HYXAFXHYSA-N 320.374 1.409 10 10 DDCE Cn1ccc(=NC(=O)c2cc3cc(O)c(O)cc3s2)nc1O 1640532102 PJNZPYWJWVOKAX-UHFFFAOYSA-N 317.326 1.493 10 10 DDCE Cc1occc1C(=O)NCC(=O)NCc1cccc(O)c1O 1643812799 QMVVALIDSRKEHS-UHFFFAOYSA-N 304.302 1.045 10 10 DDCE CCC[C@@H](N)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 167237589 MFCNCZVUHNQVOS-MRXNPFEDSA-N 305.422 1.908 10 10 DDCE CSCC[C@H](NC(=O)c1ccc(CNC(C)=O)cc1)C(=O)O 33520235 ZCYMUVRLKVOJAR-ZDUSSCGKSA-N 324.402 1.259 10 10 DDCE [N-]=[N+]=NCCN[C@@]1(C(N)=O)CCc2c(Br)cccc21 2134590789 WMSSNTFMLMRWEY-LBPRGKRZSA-N 324.182 1.976 10 10 DDCE CC(C)(C)OC(=O)NCCCONC(=O)Cc1ccc(N)cc1 1977688312 YPMIMWCDERLBOW-UHFFFAOYSA-N 323.393 1.774 10 10 DDCE CC1([C@H]2CCCCN2C(=O)Cc2ccc(O)c(O)c2)OCCO1 2145809855 QBTWGBFLHFXOFY-OAHLLOKOSA-N 321.373 1.784 10 10 DDCE CC(C)(C)OC(=O)NC1CN(C(=O)NCc2ccccc2O)C1 1985005637 UJOYZVAFDAVMMZ-UHFFFAOYSA-N 321.377 1.811 10 10 DDCE CC[C@@H](c1ccccc1O)N(C)CCS(=O)(=O)N(C)C 2151048582 YORDVIGYUOJANY-ZDUSSCGKSA-N 300.424 1.667 10 10 DDCE COc1ccc(O)c(CN(C)[C@H](C)CCS(C)(=O)=O)c1 2160752840 ZYOQEZADJLULAV-LLVKDONJSA-N 301.408 1.656 10 10 DDCE C[C@@H](CCS(C)(=O)=O)N(C)c1ccc([C@@H](C)O)c(O)c1 2160760849 SRYRGFMEDMWSCM-WDEREUQCSA-N 301.408 1.705 10 10 DDCE NCc1cnn(Cc2c(O)cccc2F)c1Br 2070335152 HEFPJUXUPGDHJW-UHFFFAOYSA-N 300.131 1.997 10 10 DDCE CCn1nnc(CNCc2c(O)cccc2Br)n1 2077210371 LZYXZENCJKCTHB-UHFFFAOYSA-N 312.171 1.451 10 10 DDCE C[C@@]1(CNCc2ccc(Br)cc2O)CCNC1=O 2080461153 HFZSNJJGHPNKGN-ZDUSSCGKSA-N 313.195 1.771 10 10 DDCE N=c1cc(N)nc(Sc2ncc(CNC3CCC3)s2)[nH]1 2240303727 MJFKPVGIBMYAIV-UHFFFAOYSA-N 308.436 1.721 10 10 DDCE COc1cc(C=C2SC(=S)N(NC(C)=O)C2=O)ccc1O 2293067453 BDMAISSPHUKUBG-UHFFFAOYSA-N 324.383 1.653 10 10 DDCE CCCc1c(O)nc(=O)n(Cc2cnc(SC)s2)c1O 2284664963 IRGOECGZXBYWDC-UHFFFAOYSA-N 313.404 1.834 10 10 DDCE CN=c1[nH]cc([N+](=O)[O-])c(=NCc2cnc(SC)s2)[nH]1 2284725738 RKUODQSWBHFXBK-UHFFFAOYSA-N 312.380 1.061 10 10 DDCE CSc1ncc(CNC(=O)c2cnc(NN)nc2C)s1 2284732223 YQMSCZYPZBBQJI-UHFFFAOYSA-N 310.408 1.179 10 10 DDCE CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22417442 XBRWYZRJGAOUNT-QGZVFWFLSA-N 318.465 1.567 10 10 DDCE CC(C)[C@@H](C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O 172409971 ZHRAPOARZVAXDB-JTQLQIEISA-N 314.407 1.786 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2C[C@@H]3NCCO[C@@H]3C2)s1 2359409318 HQBQKLGFSVKFLQ-INTQDDNPSA-N 313.448 1.248 10 10 DDCE CC(=O)NC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2O)C1 170914105 CDQQWHXJZSSUGX-LBPRGKRZSA-N 307.350 1.649 10 10 DDCE CCc1n[nH]c([C@H]2CN(Cc3cc(C)ccc3O)CCO2)n1 129140359 SNFKPQVAOHDWGU-CQSZACIVSA-N 302.378 1.955 10 10 DDCE CN(CC1CC(O)C1)C(=O)NCc1ccc(N2CC=CC2)cc1 190586956 SZLNUEVBKKEFKI-UHFFFAOYSA-N 315.417 1.975 10 10 DDCE CCOc1cc(CNCCC(=O)O)ccc1N(CC)CCO 211961139 XANVGSZLHFJGFF-UHFFFAOYSA-N 310.394 1.468 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(C)n(Cc2ccccn2)c1C 808501587 RYCMCRIDILMVQZ-UHFFFAOYSA-N 314.341 1.863 10 10 DDCE C[C@@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)cc2)C1 816897778 MEECDPZOXOKJAR-OAHLLOKOSA-N 317.433 1.481 10 10 DDCE O=C(/C=C\Cn1cncn1)NCc1c(O)ccc2c1CCCC2 901131733 NYPOHOZYZYBZNT-UTCJRWHESA-N 312.373 1.735 10 10 DDCE O=C(/C=C\c1cnccn1)NCc1ccc(N2CCOCC2)cc1 919863835 ZRRAHSOZYLMFIE-UTCJRWHESA-N 324.384 1.643 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(C(=O)OC(C)(C)C)nc1 845268691 VKDSHYPKJOEDGN-UHFFFAOYSA-N 307.302 1.352 10 10 DDCE CCOC(=O)[C@H]1[C@H]2CN(C(=O)c3ccc(C)c(O)c3O)CC[C@H]21 928118770 KINOKXPSBPZMIM-KGYLQXTDSA-N 319.357 1.677 10 10 DDCE COCCOc1cc(C(=O)NCc2c(O)cccc2F)ccn1 928708538 OEHAWFLXNWQXAZ-UHFFFAOYSA-N 320.320 1.882 10 10 DDCE C[C@H]1COCC[C@@H]1S(=O)(=O)NCc1c(O)cccc1F 921452340 LZJBIKPHBVTOJU-ZANVPECISA-N 303.355 1.376 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)OCCOC1CCOCC1 859600455 DWBFZPMQKTUYNJ-RQOWECAXSA-N 308.330 1.850 10 10 DDCE NCC12CC(CN1C(=O)NCc1ccc(N3CCCC3)cc1)C2 851654678 HKROTBXMSLCLIO-UHFFFAOYSA-N 314.433 1.920 10 10 DDCE CCn1ncnc1-c1ccc(C(=O)OCC(=O)C(C)=O)cc1 869865306 TVVTXXFZZKLIOQ-UHFFFAOYSA-N 301.302 1.280 10 10 DDCE C[C@@H](NC[C@]12COCCN1C(=O)OC2)c1ccc(N(C)C)cc1 866519955 YSNGDXZBYQRGSM-CXAGYDPISA-N 319.405 1.624 10 10 DDCE CN(C)c1ccc(CNC[C@H](O)C[C@@](C)(O)C2CC2)cc1F 872200250 YDTDJQSYHUQHMC-RHSMWYFYSA-N 310.413 1.893 10 10 DDCE C[C@H](NC(=O)NCCN1CCOC[C@@H]1C)c1ccccc1O 1119035403 PGOBZGDSYLXGQF-STQMWFEESA-N 307.394 1.473 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CC[C@@]23CCOC3)cc1 1327574379 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10 DDCE O=C(NCc1ccc(N2CCCC2)cc1)C1(CO)CCOCC1 1595435471 FWMLJSYZFOLLQN-UHFFFAOYSA-N 318.417 1.692 10 10 DDCE COCCNC/C=C/CNC(=O)c1ccc(N=NC(N)=O)cc1 1699347341 CBVMFDXQPUDCEO-VNQAGVIASA-N 319.365 1.371 10 10 DDCE CCc1cccc(CC)c1NC(=O)C[C@H]1C(=O)NN(C)C1=O 169996032 QKGGDEHEZHIPEQ-LBPRGKRZSA-N 303.362 1.259 10 10 DDCE N[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 165419981 MDIGGCAJXWKXGJ-LSDHHAIUSA-N 319.474 1.983 10 10 DDCE COc1cc(Cl)cc(CNC[C@@H]2OCCO[C@@H]2C)c1O 2143725582 KNVKXRSFDHCACL-RNCFNFMXSA-N 301.770 1.948 10 10 DDCE Nc1ccc(CS(=O)(=O)NCc2ncccc2Cl)cc1 2146238364 XCDIKASHYONARP-UHFFFAOYSA-N 311.794 1.937 10 10 DDCE Cn1nnc(Br)c1CNCc1ccc(O)cc1O 2028898635 BYYCCDNXUKLACM-UHFFFAOYSA-N 313.155 1.279 10 10 DDCE CCN[C@@H](c1ccccc1O)[C@](C)(O)CCS(C)(=O)=O 2160826509 DJFYAFSXCCXHJW-UONOGXRCSA-N 301.408 1.229 10 10 DDCE O=C1Nc2cc(N3CCO[C@@H](CF)C3)c(Cl)cc2[C@H]1O 2172041100 KKXFROGAIMUTEQ-JVXZTZIISA-N 300.717 1.500 10 10 DDCE C[C@H](CNCc1cccc(Br)c1O)c1nn[nH]n1 392615198 OGAMVWDILSPULJ-SSDOTTSWSA-N 312.171 1.561 10 10 DDCE CCOC(=O)CCCS(=O)(=O)NCC1(CN=[N+]=[N-])CC1 2178728671 AUJPQVJHIDIOIA-UHFFFAOYSA-N 304.372 1.340 10 10 DDCE C[C@@H](O)c1ccc(N2CC3(CNS(=O)(=O)C3)C2)cc1Cl 2176156364 YSZJZEDRPITFNH-SECBINFHSA-N 316.810 1.133 10 10 DDCE COC[C@@H]1CC[C@H](Sc2nccs2)C[C@]1(N)C(=O)OC 2183649984 HPYKDVGQULBNQW-OUJBWJOFSA-N 316.448 1.921 10 10 DDCE O=C(Nc1cc(Br)ncn1)c1cc(O)nc(O)c1 2043850085 MOHQEHVMSIZJON-UHFFFAOYSA-N 311.095 1.298 10 10 DDCE OCCO[C@H]1CCN(c2ccc(CO)c(Br)c2)C1 2046684287 VRXZPEXZMOSECS-LBPRGKRZSA-N 316.195 1.529 10 10 DDCE NC(=O)[C@H]1CCC[C@@H]1NCc1cc(Br)ccc1O 2053790043 VAZGLPAQDIVGAN-QWRGUYRKSA-N 313.195 1.898 10 10 DDCE COC[C@@]1(O)CCN(c2cc(Cl)c(OC)cc2OC)C1 2285875664 PLHFICJVIOERJX-CQSZACIVSA-N 301.770 1.945 10 10 DDCE C[C@H](N)c1ccc(N2CC(O)(C(F)(F)CO)C2)cc1Cl 2288532628 KURYJFPHBWOFLP-QMMMGPOBSA-N 306.740 1.538 10 10 DDCE CSc1ncc(CN[C@@](CN)(C(=O)O)C(C)(C)C)s1 2350344790 NYVDPMITCOUINK-LBPRGKRZSA-N 303.453 1.783 10 10 DDCE CN(C[C@H]1CCC[C@@H]1O)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 301846821 MZYBBSHXKLSBQQ-RNCFNFMXSA-N 321.333 1.523 10 10 DDCE C[C@H](NCCC(=O)N1CCOCC1)c1ccc(F)c(F)c1O 187669693 BMJHBDFXZHKRRZ-JTQLQIEISA-N 314.332 1.570 10 10 DDCE C[C@@H](NCC(C)(C)C(N)=O)c1ccc(N2CCOCC2)cc1 183206320 BUOKIDHTXAFNKR-CYBMUJFWSA-N 305.422 1.685 10 10 DDCE Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(F)c1 43601238 ZOKKIOWQSLWGGA-UHFFFAOYSA-N 310.306 1.937 10 10 DDCE O=C1COC[C@@H](c2cccc(I)c2O)N1 238725502 CNQMTYLQOLVAHP-QMMMGPOBSA-N 319.098 1.184 10 10 DDCE COc1cc2c(c(OC)c1OC)[C@H](CN1CCNCC1)CN2C 527417288 NHSBHUITHCWICP-LBPRGKRZSA-N 321.421 1.151 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNC[C@H]2CCCC[C@@H]2O)c1O 278307223 DOUBBWMJDYFEPR-MFKMUULPSA-N 310.350 1.950 10 10 DDCE CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cccc(O)c2O)C1 279296226 MXBOGGCWSDKLFF-JTQLQIEISA-N 307.346 1.902 10 10 DDCE O=C1N[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)CO1 813685560 KSXMYUSYTCGCAP-QMMMGPOBSA-N 305.117 1.424 10 10 DDCE CNC(=O)[C@H]1CCN(Cc2ccc(N3CCOCC3)cc2)C1 817415416 SSTFIEZETUHNCT-HNNXBMFYSA-N 303.406 1.091 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C(N)=O)cn1C 819760831 JDHYZGPZMWEVOV-UHFFFAOYSA-N 322.361 1.245 10 10 DDCE COC[C@@H](C(N)=O)N(C)Cc1cc(Cl)cc(C(C)=O)c1O 815135749 GNLDTFSGVVHOQS-LBPRGKRZSA-N 314.769 1.180 10 10 DDCE CC[C@@H]1[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1O 824636522 ROHHKSLMNCKRGK-NWDGAFQWSA-N 310.350 1.902 10 10 DDCE CC(C)N1CCC([C@H]2C[C@@H]2NC(=O)c2cc(O)nc(O)c2)CC1 585503876 FWPFYPGNAIOWAV-KGLIPLIRSA-N 319.405 1.732 10 10 DDCE COC[C@](C)(O)CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 836405736 LJQAWOUTQIWPQT-CXAGYDPISA-N 323.437 1.900 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CNCC[C@H]2C)c1 841977038 QEYQDXBHLWUANY-SUNKGSAMSA-N 307.394 1.759 10 10 DDCE C[C@H](N)[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 842005550 NWJIUZWEAWSPGQ-GUTXKFCHSA-N 321.421 1.819 10 10 DDCE COCCNC1CCN(C(=O)NCCc2ccc(N)cc2)CC1 846171861 IYLWNOUHXHXQLY-UHFFFAOYSA-N 320.437 1.221 10 10 DDCE COc1cc(N2CCO[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OC 840387168 UGXPDLBBOZHOIN-XPTSAGLGSA-N 312.322 1.198 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3C[C@H](CO)C3)C2)cc1 923185269 DYGHIKWYFMHIHZ-MGPQQGTHSA-N 319.405 1.344 10 10 DDCE C[C@@H](NC[C@H]1CC2(CCNCC2)C(=O)O1)c1ccc(F)cc1O 925857985 RFFLFOWYLVTLPX-DGCLKSJQSA-N 322.380 1.867 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@H]2COCCN2C)c1 858523033 LIBBXPYWEIBINV-YPMHNXCESA-N 308.378 1.160 10 10 DDCE CO[C@@]1(CNC(=O)NCc2c(O)cccc2F)CCSC1 925388384 MEUXBWACTNHZAH-CQSZACIVSA-N 314.382 1.853 10 10 DDCE NC1(CNCc2cccc(Br)c2O)CCOCC1 863481647 LFSYDFYZFIKYLS-UHFFFAOYSA-N 315.211 1.752 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)C1(N2CCOCC2)CC1 869147727 UWXBLRGLGASKMD-UHFFFAOYSA-N 310.781 1.527 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)NCc2ccccc2O)c1 769365164 NIRNWGLZVZAYHY-VOTSOKGWSA-N 311.341 1.476 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NC1(c2nn[nH]n2)CCCC1 779518656 LMIJCCPEIQWUGI-GQCTYLIASA-N 315.333 1.210 10 10 DDCE CS(=O)(=O)[C@H]1C[C@H](CNCc2cc(Cl)ccc2O)C1 1877115812 JJHCNTKCXNOHPO-OTCDBFHCSA-N 303.811 1.958 10 10 DDCE COC(=O)CCCCNC(=O)NCc1ccc(OC)cc1O 792861218 ZSQMUCYFQMLGJB-UHFFFAOYSA-N 310.350 1.543 10 10 DDCE C[C@H](NC(=O)CC(C)(C)C)C(=O)NCc1c(O)cccc1O 1156886053 SGDAZYACJVYRAK-JTQLQIEISA-N 308.378 1.655 10 10 DDCE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCN=[N+]=[N-] 1885562862 LTLMRGLOPSIMAB-DTWKUNHWSA-N 301.347 1.029 10 10 DDCE O=C(NN1Cc2ccccc2C1=O)c1c(F)ccc(O)c1O 1306824577 IDOJIDGDVDRZLS-UHFFFAOYSA-N 302.261 1.538 10 10 DDCE CCn1cnc2c1CCN(C(=O)Cc1ccc(O)c(O)c1)C2 1472037458 NPHWPTIJOVMZHO-UHFFFAOYSA-N 301.346 1.442 10 10 DDCE Oc1c(Br)cccc1CNCC[C@]1(O)CCOC1 404204420 MHORFTUCKSKCSB-ZDUSSCGKSA-N 316.195 1.786 10 10 DDCE CN(Cc1c(O)cccc1Cl)C[C@H]1CCS(=O)(=O)C1 769468398 HHHBAQNXNUSEHM-SNVBAGLBSA-N 303.811 1.912 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC1(C)CCC1 1346555568 SMMHDGZXROXVGQ-UHFFFAOYSA-N 317.433 1.984 10 10 DDCE COC(=O)c1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)no1 1264826909 GTNKURYQSCBKNG-UHFFFAOYSA-N 321.308 1.596 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](c2ncc[nH]2)C1 1443097880 VWUAPDCUOKKZDS-LBPRGKRZSA-N 301.346 1.770 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](N2CCCC2)C1 1543151342 CWRDSSRDPOFFED-CQSZACIVSA-N 304.390 1.727 10 10 DDCE CCN(CC)c1ccc(CNC(=O)c2nnc(O)nc2O)cc1 1625014073 KSLUIEHDTNKNRM-UHFFFAOYSA-N 317.349 1.059 10 10 DDCE Cn1cnnc1[C@@H]1CCCN(C(=O)Cc2ccc(O)c(O)c2)C1 1629838866 KEIMPCSAABXTDN-GFCCVEGCSA-N 316.361 1.175 10 10 DDCE C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cccc(O)c1O 1558159591 IKZORDBZZHTUFC-HWPZZCPQSA-N 315.325 1.943 10 10 DDCE CN(CC[S@@](C)=O)c1c(F)cc(C=CC(=O)O)cc1F 1911853096 YKUJWEDWTWKUCY-HXUWFJFHSA-N 303.330 1.877 10 10 DDCE COC(=O)C[C@](C)(NC(=O)Cc1ccc(O)c(O)c1)C1CC1 1643013885 HAQYHBBXRHNDBV-INIZCTEOSA-N 307.346 1.488 10 10 DDCE Nc1cccc2c1C(=O)c1c(cccc1S(=O)(=O)O)C2=O 5002655 UEZJOQCWOFDUOR-UHFFFAOYSA-N 303.295 1.291 10 10 DDCE CC(C)N1C[C@@H](C(=O)NCCc2ccc(O)c(O)c2)CC1=O 154008597 NWMXVQCYKUWEBU-LBPRGKRZSA-N 306.362 1.013 10 10 DDCE Nc1ccc(CC(=O)NCc2ccc(-c3nnn[nH]3)cc2)cc1 156847463 NDMARJRBXXNQML-UHFFFAOYSA-N 308.345 1.308 10 10 DDCE COc1ccccc1-n1c(C)cc(C(=O)N2CC(O)C2)c1C 1873796457 BFFHQJDHHXUODX-UHFFFAOYSA-N 300.358 1.919 10 10 DDCE CN([C@H]1CCN(c2ccc(CO)c(Cl)c2)C1)S(C)(=O)=O 2146921231 AIBYTMQVNOBAHF-LBPRGKRZSA-N 318.826 1.302 10 10 DDCE O=S1(=O)CCN[C@@H](c2ccc(Br)cc2O)C1 1952602184 RUIKXFXUSHYOBX-SECBINFHSA-N 306.181 1.214 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc([C@@]2(N)C[C@H]2C(=O)O)c(O)c1 1952972514 OGMMKJFYUDKSIE-BONVTDFDSA-N 308.334 1.998 10 10 DDCE CO[C@@H]1CN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)C[C@H]1F 2146472870 DQDPDFATRPQOKL-GGZOMVNGSA-N 300.717 1.499 10 10 DDCE NCc1ccc(N2C[C@@H]3OCCO[C@H]3C2)c(Br)c1 2032415784 ZQUBGZZTQJDVKZ-STQMWFEESA-N 313.195 1.512 10 10 DDCE OCc1ccc(N2C[C@H](O)[C@H]3COC[C@@H]32)c(Br)c1 2040592299 GSESCTSDOIAHCB-XDTLVQLUSA-N 314.179 1.137 10 10 DDCE COc1nscc1S(=O)(=O)Nc1ccc(O)c(C)c1 714385234 PDVKENRYKOPRAV-UHFFFAOYSA-N 300.361 1.967 10 10 DDCE Cc1cc(O)c([C@@H](C)n2ncc(S(C)(=O)=O)c2O)cc1C 2070258927 RFYNJKWNGHQHOY-SNVBAGLBSA-N 310.375 1.924 10 10 DDCE CN(CC1(F)COCCOC1)c1ccc(CN)c(Cl)c1 2187192453 RFCKRHOHAWRFCF-UHFFFAOYSA-N 302.777 1.990 10 10 DDCE CNCc1ccc(N2CC(=O)N[C@H]3CC[C@@H]32)c(Br)c1 2112063847 ZBJNTYAFLWWWFD-AAEUAGOBSA-N 324.222 1.636 10 10 DDCE O=C(C=Cc1cncc(O)c1)NCCc1ccc(O)c(O)c1 2308033816 HCPGKJQTJHTHAT-UHFFFAOYSA-N 300.314 1.571 10 10 DDCE CN1C(=O)C(=Cc2c(Cl)nc3sccn23)C(=O)N(C)C1=O 7718381 XVKMFSTTWFPWPN-UHFFFAOYSA-N 324.749 1.483 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1C[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1895329194 IQEQOBYKZIEASR-PJSNJIKXSA-N 324.421 1.801 10 10 DDCE CCc1nnc(CN2CCN(c3ccc(OC)cc3)CC2)n1C 195011771 FUGPMMKCRVQZHW-UHFFFAOYSA-N 315.421 1.708 10 10 DDCE Nc1ccc(CN(C(=O)[C@H]2CCS(=O)(=O)C2)C2CC2)cc1 86018691 JNGXLVUDFBRWKM-LBPRGKRZSA-N 308.403 1.195 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC(N(C)C)C2)c([N+](=O)[O-])c1 270933179 YMTDXMRKFZQMJI-FNORWQNLSA-N 305.334 1.531 10 10 DDCE CC(C)[C@@H](C)CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 803665235 ZUMCBCMRXNLBQO-LBPRGKRZSA-N 323.412 1.916 10 10 DDCE C[C@@H](O)CN1CCN(Cc2cc(Cl)c(F)cc2O)CC1 294776604 UBHVYQUCWCRJSF-SNVBAGLBSA-N 302.777 1.683 10 10 DDCE COc1ccc(SC)c(OC)c1C(=O)OCC(=O)C(C)=O 808532973 BWBZBAQURXPKGG-UHFFFAOYSA-N 312.343 1.741 10 10 DDCE Cc1cc(CN2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)ccc1N(C)C 293570956 MXOJDMNIQQOMMI-CQSZACIVSA-N 315.421 1.852 10 10 DDCE COC(=O)NCC(=O)NCc1cc(Br)ccc1O 804739621 MDFVMSNSXWOBFH-UHFFFAOYSA-N 317.139 1.127 10 10 DDCE Oc1cc(Br)ccc1CN1CCn2nncc2C1 826533871 AWYXBDGJTVHBLL-UHFFFAOYSA-N 309.167 1.762 10 10 DDCE COCCOCCCNC(=O)NCc1c(O)cccc1F 916662068 JMEHIGUHTCOIOV-UHFFFAOYSA-N 300.330 1.384 10 10 DDCE O=S(=O)(NCc1ccccc1O)c1cnn(C2CCC2)c1 914140954 UJGBXSGMMYWQOC-UHFFFAOYSA-N 307.375 1.792 10 10 DDCE Cc1ccc(C(=O)N2CCO[C@H](CCCN(C)C)C2)c(O)c1O 856429108 GZVOZYWUIWPPHD-CYBMUJFWSA-N 322.405 1.589 10 10 DDCE O=C(NCc1c(O)cccc1F)Nc1nc2n(n1)CCCC2 931705647 MTVNHEBAHQIZAV-UHFFFAOYSA-N 305.313 1.781 10 10 DDCE C[C@@H](Cn1cncn1)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 773275452 FFAXJQISLTUGPJ-STQMWFEESA-N 316.409 1.793 10 10 DDCE C[C@@H](NCCC1CS(=O)(=O)C1)c1cc(F)cc(F)c1O 786946499 AQMKODBAKDMMBB-MRVPVSSYSA-N 305.346 1.756 10 10 DDCE CN1CC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1=O 896507662 YBCVWTLNGGCKKV-QMMMGPOBSA-N 306.343 1.273 10 10 DDCE Cc1cc(C(=O)NC2=NCC(=O)N2C)c(C)n1-c1ccccn1 898778660 FDZVVSYFKCPZQZ-UHFFFAOYSA-N 311.345 1.047 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@@]3(CCCOC3)C1)[C@H](O)CO2 795640621 YNLIYCHUSKIYFP-WBVHZDCISA-N 321.373 1.199 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cc2n(n1)CCCC2=O 1150378909 XWRIDAXFQAHWLW-UHFFFAOYSA-N 301.302 1.201 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)/C=C/C(=O)N(C)C 1162113739 HAKAZVHAQOONBY-HBWSCVEGSA-N 317.433 1.753 10 10 DDCE CN1CCC(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1442867388 IITHOQZHXTYQOW-UHFFFAOYSA-N 303.366 1.921 10 10 DDCE CN(C)C(=O)/C=C\C(=O)NCc1ccc(N2CCCCC2)cc1 1452049562 FSKSXHZMZWETTK-KHPPLWFESA-N 315.417 1.938 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](c2cnccn2)C1 1558525323 RGXOHPTXKGEWTD-LSYFEZSPSA-N 311.341 1.917 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCCS2(=O)=O)cc1 1624178052 FJKXMEFNWNYWBT-LLVKDONJSA-N 324.362 1.156 10 10 DDCE CS(=O)(=O)[C@@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2123328815 GBOTZHZXAHUHQU-SECBINFHSA-N 306.790 1.561 10 10 DDCE C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)Cc1ccc(O)c(O)c1 1631412609 OTFKIOXKVCUABT-SWLSCSKDSA-N 315.369 1.921 10 10 DDCE CCN1CCC(CCNC(=O)Cc2ccc(O)c(O)c2)CC1 1566088598 IXBZUIIGBMFOAX-UHFFFAOYSA-N 306.406 1.879 10 10 DDCE O=C(Cc1cn2cc(F)ccc2n1)NCc1c(O)cccc1O 1645363395 TZXUNVILBNNAQO-UHFFFAOYSA-N 315.304 1.744 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)NC/C=C/Cl)c1 1653351524 MWHDZTXFXKYPOO-GORDUTHDSA-N 304.755 1.246 10 10 DDCE CN(C)c1ccc(CNC(=O)C[C@H]2CCC(=O)NC2)cc1F 1598028711 NSOZGPLHZWSGHL-GFCCVEGCSA-N 307.369 1.424 10 10 DDCE COc1cc(C)cc(CN2CCO[C@@H](Cn3cccn3)C2)c1O 164385384 AOGQOFBRFLNSJU-OAHLLOKOSA-N 317.389 1.807 10 10 DDCE COc1ccc(Br)c(CN(CCN)OC)c1O 2214882552 HZYZLECTNMCBCS-UHFFFAOYSA-N 305.172 1.485 10 10 DDCE NCc1ccc(N2CC[C@](F)(CO)C2)c(Br)c1 1917067988 QVZSOFBLWNKFQB-GFCCVEGCSA-N 303.175 1.819 10 10 DDCE C[C@H](N[C@H](C)CS(=O)(=O)N(C)C)c1ccc(F)cc1O 1967464481 CSCUNNGLFCWPMU-ZJUUUORDSA-N 304.387 1.462 10 10 DDCE CN1C[C@H](c2ccc(N)cc2O)N(C(=O)OC(C)(C)C)CC1=O 1952980919 BQJXYPPRFLKDDD-GFCCVEGCSA-N 321.377 1.725 10 10 DDCE C[C@H]1C[C@@]1(CNC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1980371468 WAGVREKRTHYMHM-UWCDFFNFSA-N 324.421 1.803 10 10 DDCE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NCc1ccc(N)cc1 1993301743 HUPNOBWSHRTHIG-ZDUSSCGKSA-N 323.393 1.161 10 10 DDCE Cc1c(C(=O)N(C)CCN=[N+]=[N-])c(Br)nn1C 2014543312 LKHLHEYFZQCKKF-UHFFFAOYSA-N 301.148 1.873 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@@]3(CO)C2)cc1Br 2029639736 VTBPYHLPUXAMCV-FZMZJTMJSA-N 311.223 1.987 10 10 DDCE CN1C[C@H](O)[C@H](NCc2cc(Br)cc(F)c2O)C1 2029866621 KFXKCQDCIBZZSA-MNOVXSKESA-N 319.174 1.058 10 10 DDCE O=S1CCN(c2c(F)cc(CNC3CC3)cc2F)CC1 62712872 JEFYFRYBWXYSRB-UHFFFAOYSA-N 300.374 1.786 10 10 DDCE COc1cc(Cl)cc(CNCCCCS(N)(=O)=O)c1O 380510589 ZIKUUXGAIJAAEJ-UHFFFAOYSA-N 322.814 1.213 10 10 DDCE COc1ccc(Cn2nc(C)cc2C(=O)NC2CC2)c(O)c1 2070082896 UKZHWIJZNJFOTD-UHFFFAOYSA-N 301.346 1.846 10 10 DDCE COC(=O)Cc1cc(O)n2nc(C(C)(C)C)c(C(=O)O)c2n1 2080930769 UTMZIQMXHQECLS-UHFFFAOYSA-N 307.306 1.146 10 10 DDCE Cn1cc(C(=O)NCc2ccc(N)cc2)c(Br)n1 2052971743 GWHHTHWUCAWMEM-UHFFFAOYSA-N 309.167 1.695 10 10 DDCE CC[C@H](COC(F)F)NS(=O)(=O)Cc1ccc(N)cc1 2187457965 SQVWRUCYGTTXFL-LLVKDONJSA-N 308.350 1.706 10 10 DDCE CNCc1ccc(N2CC[C@H](O)[C@@H](O)C2)cc1Br 2068376541 JCMKJWJFMCWCEM-STQMWFEESA-N 315.211 1.100 10 10 DDCE CCOc1cc(C=C2C(=O)NC(=O)N(C)C2=O)cc(Cl)c1O 2297329673 PRXCCJQIGTZSRJ-UHFFFAOYSA-N 324.720 1.536 10 10 DDCE CO[C@H]1COCCN(c2ccc(CO)c(Br)c2)C1 2326701219 GGXNRCPCXIPBNP-GFCCVEGCSA-N 316.195 1.793 10 10 DDCE COc1ccc(N2CCN([C@]3(CN)CCSC3)CC2)cc1 20549070 JKEBOPFHVKGQJR-INIZCTEOSA-N 307.463 1.652 10 10 DDCE O=C1CN(Cc2cc([N+](=O)[O-])ccc2O)[C@H]2CCCC[C@@H]2N1 177051623 DXRPKHKBIULOLJ-STQMWFEESA-N 305.334 1.543 10 10 DDCE C[C@@H](N)c1ccc(N2CCCNC(=O)C2)cc1Br 235214362 MNBQHZVCKVXRRC-SECBINFHSA-N 312.211 1.795 10 10 DDCE C[C@H](NCCCS(=O)(=O)N(C)C)c1ccc(F)cc1O 2367627629 RVNKHYKNDJHBRN-JTQLQIEISA-N 304.387 1.463 10 10 DDCE COc1cc(Cl)c(N2C[C@@H](CO)[C@H](CO)C2)c(OC)c1 2368115639 BXQDHOUAVCUQQB-UWVGGRQHSA-N 301.770 1.394 10 10 DDCE CCOC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 240685632 AJSKNDROHYCVAC-UHFFFAOYSA-N 324.377 1.991 10 10 DDCE COc1cc(C)cc(CN2CCN(CC(C)(C)O)[C@@H](C)C2)c1O 249144377 XCYQFPLQMCQORH-AWEZNQCLSA-N 322.449 1.986 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)Cc2nnc[nH]2)c([N+](=O)[O-])c1 255174175 SNTSDWZZFUKYSW-XQRVVYSFSA-N 317.305 1.536 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@H](C)[C@@H](O)[C@H](C)C2)c1O 827151994 OSGDSWXGYGUHIA-IWIIMEHWSA-N 310.350 1.758 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 831261292 KQPBJMRBUIYUNQ-RAPCGNKWSA-N 305.330 1.031 10 10 DDCE COc1ccc(N2CCN(c3cccnn3)CC2)c(OC)c1 846747702 STXCBJYHDJUBSE-UHFFFAOYSA-N 300.362 1.820 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C(=O)O)C(C)C)C2)cc1 852955027 ZZXWVXNJBODMNA-WFASDCNBSA-N 320.389 1.747 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C(=O)OC(C)(C)C)C2)cc1 853818047 RMZRBMIDNIYNTN-GFCCVEGCSA-N 320.389 1.732 10 10 DDCE O=S1(=O)[C@H]2CC[C@H]1CC(NCc1cc(F)cc(F)c1O)C2 922850022 FZJNADGPIPLYKF-RYUDHWBXSA-N 317.357 1.868 10 10 DDCE C[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1O 868217712 VDMMSFDLRKPYBZ-IHRRRGAJSA-N 319.405 1.616 10 10 DDCE CN(CC(=O)NC1CCN(C2CC2)CC1)c1ccc(N)cc1 863558525 MHNNPLGWNZYPQC-UHFFFAOYSA-N 302.422 1.448 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CCCS1 1119000354 GVFLCDOXRBBUSC-CYBMUJFWSA-N 322.430 1.753 10 10 DDCE CCc1cccc(CN[C@@H]2C(=O)NCC23CCOCC3)c1O 895766287 REEWIWJKKKZFKK-OAHLLOKOSA-N 304.390 1.339 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cc(F)cc2nn[nH]c12 1153798637 SWUUSDXDMDMIPI-UHFFFAOYSA-N 302.265 1.438 10 10 DDCE Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCc1c(O)cccc1O 1304053971 YEZXRHWPMJXVFK-JTQLQIEISA-N 317.389 1.943 10 10 DDCE CC(C)c1n[nH]c(CNC(=O)/C=C/c2ccc(O)c(O)c2)n1 1159301290 QQNLMVACRRLVCE-GQCTYLIASA-N 302.334 1.669 10 10 DDCE Nc1c(C(=O)NCc2ccc(O)cc2O)cccc1[N+](=O)[O-] 1162279189 VDQOSDZMXAIXLQ-UHFFFAOYSA-N 303.274 1.518 10 10 DDCE C[C@]1(Br)C[C@H]1C(=O)NCc1c(O)cccc1O 1178916943 FGNKSMBPOGLKRX-UFBFGSQYSA-N 300.152 1.888 10 10 DDCE CN(CC[S@@](C)=O)Cc1cccc(Br)c1O 399847946 JDJIRANLRCPKNL-MRXNPFEDSA-N 306.225 1.965 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1C[C@H]1C 1327679834 WWJDULVHNBJIRN-TZMCWYRMSA-N 304.390 1.903 10 10 DDCE COC(=O)COc1ccc(N(C)CCO[C@@H]2CCOC2)cc1 1334766738 KGCJYYQXEDCVPE-OAHLLOKOSA-N 309.362 1.480 10 10 DDCE CC(C)c1nc([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)n[nH]1 1447308915 UHPVRXFNVJGVRX-VIFPVBQESA-N 304.350 1.759 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCc2cc(Cl)nnc2C1 1299898178 SVAUWFQZHAMFSS-UHFFFAOYSA-N 319.748 1.669 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@@H]1CCCN(C(=O)C2CC2)C1 1558534713 XFYKNEAYIRPVGD-GFCCVEGCSA-N 318.373 1.363 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1ncn(-c2ccccc2)n1 1625073693 UQIRJAOPYPFHRR-UHFFFAOYSA-N 324.340 1.537 10 10 DDCE C[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@]2(CCCOC2)O1 1634156941 XGMDLCBYJKMRET-PXAZEXFGSA-N 321.373 1.437 10 10 DDCE C[C@H](NC(=O)c1cnn(C)c1-n1cnnc1)c1ccccc1O 1648891975 KGAJHXRVJPJHQB-JTQLQIEISA-N 312.333 1.197 10 10 DDCE O=C(c1cncc(-n2ccnn2)c1)N1Cc2cccc(O)c2C1 1644088144 HIIHIFSIYGLXIC-UHFFFAOYSA-N 307.313 1.524 10 10 DDCE Cn1ccc([C@H]2CCCN(C(=O)Cc3ccc(O)c(O)c3)C2)n1 1645693465 HBCNJQCLMOIWOD-ZDUSSCGKSA-N 315.373 1.780 10 10 DDCE Cc1cc(=O)c(OCCCO)cn1CCOc1ccc(N)cc1 1857916992 WPTNXDIBBFDQBO-UHFFFAOYSA-N 318.373 1.579 10 10 DDCE C[C@@H](c1ccc(F)cc1O)N1CC[C@H](CS(C)(=O)=O)C1 2143699903 IDGXJQIOCCADCG-QWRGUYRKSA-N 301.383 1.959 10 10 DDCE OCc1ccc(N2CC(O)(C(F)F)C2)c(Br)c1 2004649376 ZRZBCIREUNFJBX-UHFFFAOYSA-N 308.122 1.758 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCC[C@H](C2OCCO2)C1 2145858863 PLINGGKTGFQPDJ-OLZOCXBDSA-N 319.405 1.681 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CCOC(F)(F)C3)c(Cl)cc21 2152293034 DUJQSZCGNBDCFM-SNVBAGLBSA-N 303.696 1.721 10 10 DDCE CN(C)CCN(CCO)c1ccc(CO)c(Br)c1 2038015937 BKMINSDELTXKLC-UHFFFAOYSA-N 317.227 1.302 10 10 DDCE CC(C)(C)[S@](C)(=O)=NS(=O)(=O)Cc1ccc(N)cc1 710112652 CHUYCECBGJZTPF-SFHVURJKSA-N 304.437 1.995 10 10 DDCE CCNC(=O)CCNCc1cc(Br)cc(F)c1O 715746434 VLLDDJKQLPKSOU-UHFFFAOYSA-N 319.174 1.910 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@@H]3CCO[C@@H](C)C3)c2n1 2063416037 WSBZCPMATJPKLQ-WDEREUQCSA-N 304.350 1.288 10 10 DDCE C[C@@H](O)CN(C[C@@H](C)O)c1ccc(CN)cc1Br 2041735633 GGPIXVQFYLTZIE-NXEZZACHSA-N 317.227 1.476 10 10 DDCE C[C@H](O)c1ccc(N2C[C@H](O)C[C@@H](O)C2)cc1Br 2043185562 XBNRLGMKWDCSGI-JMJZKYOTSA-N 316.195 1.434 10 10 DDCE CN(C)c1ccc([C@@H](N)c2nc(Br)nn2C)cc1 2052959963 OLFQNKKJEQAKEM-SNVBAGLBSA-N 310.199 1.692 10 10 DDCE NCC[C@@H]1CN(Cc2cc(Br)ccc2O)CCO1 2055861078 RIFKXMSQPUOZIE-GFCCVEGCSA-N 315.211 1.704 10 10 DDCE CN(Cc1nnn(C)n1)c1ccc(CO)c(Br)c1 2077211572 YBNKQQUAEPVJLB-UHFFFAOYSA-N 312.171 1.101 10 10 DDCE Nc1ccc(CN=c2nc(C(=O)O)c(Br)c[nH]2)cc1 2105954511 KKQRIBJQSXOTOI-UHFFFAOYSA-N 323.150 1.554 10 10 DDCE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)[nH]1 2297342138 MMOMOGHIDNKYMM-UHFFFAOYSA-N 313.313 1.887 10 10 DDCE CC(C)N1CC[C@H](NC(=O)C=Cc2ccc(O)c(O)c2)C1=O 2308001118 ARNHUAWUNJEMAQ-LBPRGKRZSA-N 304.346 1.237 10 10 DDCE CCNC(=O)C(C)(C)CNC(=O)C=Cc1ccc(O)c(O)c1 2308001982 JZVOCBNQJRWKLA-UHFFFAOYSA-N 306.362 1.390 10 10 DDCE CN(C)CC1(O)CN(c2ccc(CN)cc2Br)C1 2320555779 OZIXTXGTASTZNV-UHFFFAOYSA-N 314.227 1.021 10 10 DDCE COC(=O)c1sc(NN(C)S(=O)(=O)C(C)C)nc1C 2339782535 ZVSVANMZCQKKBI-UHFFFAOYSA-N 307.397 1.235 10 10 DDCE CCNCc1ccc(N2CCN(S(C)(=O)=O)CC2)c(C)c1 62085578 MKOAUGXFGZGQSO-UHFFFAOYSA-N 311.451 1.186 10 10 DDCE Cc1nn(C)cc1NC(=O)C(=O)N(C)Cc1ccccc1O 179114395 OHMGXZRODIZNGV-UHFFFAOYSA-N 302.334 1.031 10 10 DDCE C[C@H]1CO[C@H](CO)CN1c1ccc(CN)cc1Br 212904393 UXMOJWXPYJPZPA-ONGXEEELSA-N 315.211 1.494 10 10 DDCE CC(C)Oc1cc(CNCC(=O)O)ccc1N1CCOCC1 212147897 RDGFPWQESQGRPW-UHFFFAOYSA-N 308.378 1.485 10 10 DDCE Cc1ccncc1NS(=O)(=O)CCOc1ccc(N)cc1 70490886 RSKFAVGPVSSVDF-UHFFFAOYSA-N 307.375 1.793 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C[C@@H]1N(C)C 226079673 LJVKOWSXUYHZDD-NFMODRRSSA-N 308.813 1.678 10 10 DDCE C[C@@H](CO)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 131144624 QJNJMMAZYUODDV-ZDUSSCGKSA-N 307.394 1.045 10 10 DDCE CC(=O)N(C(=O)CNC(=O)c1ccccc1)c1ccc(N)cc1 244206745 VRVPNRQQDJUZLI-UHFFFAOYSA-N 311.341 1.578 10 10 DDCE Cc1cc(Cl)cc(CN2CCCS(=O)(=O)CC2)c1O 372972084 FRRJGNBLFKWFGK-UHFFFAOYSA-N 303.811 1.975 10 10 DDCE CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCNC2=O)cc1 297276996 GJEVJVJOTYNDTJ-HNNXBMFYSA-N 318.421 1.611 10 10 DDCE COC1CCN(c2ccc(CN3CC(C)(C(N)=O)C3)cc2)CC1 829075836 VAHDWHIWFBPTBR-UHFFFAOYSA-N 317.433 1.609 10 10 DDCE COc1cccc(O)c1CN1CCO[C@@H](CCCN(C)C)C1 827856592 QKGKMJFLXMJPGH-AWEZNQCLSA-N 308.422 1.943 10 10 DDCE Cn1cc(/C=C\C(=O)N2C[C@@H](CO)Cc3cccc(F)c32)cn1 911691269 CEKDETBBTSKSHR-SZZPACECSA-N 315.348 1.770 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCCCO3)C2)cc1 855234132 SRQRKNXGSILTBP-CZUORRHYSA-N 304.390 1.959 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(C)CCOC3)C2)cc1 855223586 ASWZCDSIUDTSSA-DYVFJYSZSA-N 304.390 1.817 10 10 DDCE CC(C)CN1C(=O)/C(=C/NCC2CCCCC2)C(=O)NC1=S 920975306 CXNFDDLQVNSBAR-UKTHLTGXSA-N 323.462 1.940 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CCCCN3)C2)cc1 852900767 RLTMTEBGHJKBQF-BBRMVZONSA-N 303.406 1.532 10 10 DDCE CCN(CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C1CC1 855234076 RUPBITLFQQTXSQ-AWEZNQCLSA-N 317.433 1.874 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3NCCC3(C)C)C2)cc1 852900683 PIQRADDUNWPCQO-BBRMVZONSA-N 317.433 1.778 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCC23CC(CN2)C3)c1 851676455 BKBCLRQIMCXTAQ-VHTNMKBUSA-N 305.378 1.513 10 10 DDCE O=C(Cn1cc(-c2ccccc2)nn1)NCc1ccccc1O 762526434 LMEQFNRUQYXNMK-UHFFFAOYSA-N 308.341 1.967 10 10 DDCE Cc1cccc(CN2CC[C@@H](N3C(=O)O[C@H]4CNC[C@H]43)C2)c1O 872254667 BEJIKURPQSPFIX-KFWWJZLASA-N 317.389 1.068 10 10 DDCE CN(C)c1ccc(CNC[C@@H](O)C[C@](C)(O)C2CC2)cc1F 872200254 YDTDJQSYHUQHMC-YOEHRIQHSA-N 310.413 1.893 10 10 DDCE COC(=O)[C@H]1[C@@H](CNCc2ccc(OC)cc2O)C1(F)F 894635929 JJNLUEWZEKUBGF-ZYHUDNBSSA-N 301.289 1.545 10 10 DDCE Cc1cc(C(=O)NC[C@@](C)(O)CO)c(C)n1-c1ccc(F)cc1 798264437 GEHZFCBGIXYLHQ-QGZVFWFLSA-N 320.364 1.706 10 10 DDCE COc1ccc(CNC(=O)NCC[C@H](C)[S@@](C)=O)c(O)c1 793007607 DXYNLBJAOFMANQ-CHNSCGDPSA-N 314.407 1.357 10 10 DDCE COC(=O)[C@H](CNC(=O)Cc1ccc(O)c(O)c1)CC1CC1 1144999142 JVBAOCPHABFBDF-LBPRGKRZSA-N 307.346 1.346 10 10 DDCE Cc1nc(N2Cc3cccc(O)c3C2)sc1S(N)(=O)=O 1329297077 CYZGTGRXUCAHRU-UHFFFAOYSA-N 311.388 1.325 10 10 DDCE CN(C(=O)/C=C/c1cn(C)cn1)c1cccc(S(C)(=O)=O)c1 1266287612 ZEERTLWOAZXJIW-BQYQJAHWSA-N 319.386 1.500 10 10 DDCE CO[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 1336668467 LCOIEBHNDRCPLF-IUODEOHRSA-N 308.353 1.313 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCc2ccc(O)nc2)cc1 1297595197 VHMIINPUCPPHSN-UHFFFAOYSA-N 313.317 1.922 10 10 DDCE CN(C)C(=O)C1(NCc2ccc(Br)cc2O)CC1 826121996 WNALOQCLCOKNME-UHFFFAOYSA-N 313.195 1.865 10 10 DDCE COc1cc([C@@H](CN)CNC(=O)OC(C)(C)C)cc(O)c1O 1535974066 HWHAOUUULXIIBC-JTQLQIEISA-N 312.366 1.673 10 10 DDCE CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC 1557190827 KIISDSMDCULBBB-VIFPVBQESA-N 306.322 1.778 10 10 DDCE COC(=O)Cc1sccc1C(=O)NCc1ccc(O)cc1O 1639444408 KVVWZUWNGDGEGJ-UHFFFAOYSA-N 321.354 1.805 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCn3cncc3C2)cc1 1570611801 LKBVAULLAGVWAX-GFCCVEGCSA-N 312.333 1.790 10 10 DDCE [N-]=[N+]=NC1CCN(CCS(=O)(=O)N2CCCCC2)CC1 1912164039 RKXLTNGUFZXIDP-UHFFFAOYSA-N 301.416 1.577 10 10 DDCE CNCc1ccc(N2CCNC(=O)C23CC3)c(Br)c1 2132029917 OOGNFNFWSWFDQK-UHFFFAOYSA-N 324.222 1.637 10 10 DDCE CCN1CCN(C(=O)CNCc2cc(Cl)ccc2O)CC1 1857868343 DAIGUMKGAKDRJK-UHFFFAOYSA-N 311.813 1.299 10 10 DDCE CN(c1ccc(CO)cc1Br)C(C)(C)C(N)=O 1915539825 HDLHWEAWNGVYON-UHFFFAOYSA-N 301.184 1.642 10 10 DDCE C[C@H]1CN(c2ccc([C@@H](C)N)cc2Cl)CCS1(=O)=O 707153894 ZEUDVIQUYYGFGJ-VHSXEESVSA-N 302.827 1.983 10 10 DDCE CCN(CC(N)=O)c1ccc([C@H](C)N)cc1Br 723180698 BXCQUMJLHLVCME-QMMMGPOBSA-N 300.200 1.780 10 10 DDCE C[C@@]1(CNCc2c(O)cccc2F)CCCS(=O)(=O)C1 2194278265 FPGGZYUJMGYOTG-AWEZNQCLSA-N 301.383 1.836 10 10 DDCE N[C@@H]1CC(CN2CCc3c(Br)cccc32)=C[C@@H]1O 2067770918 YCWZBCRZJCQFET-OCCSQVGLSA-N 309.207 1.830 10 10 DDCE C[C@@H](N)Cc1cnc(Sc2nnnn2CC(F)(F)F)s1 2234009810 FKJIJDJWGLTWJJ-RXMQYKEDSA-N 324.357 1.733 10 10 DDCE C[C@@H](N)c1ccc(N2CC3(CCC(=O)N3)C2)cc1Br 2229698948 GTLHFACPCSTPBN-SECBINFHSA-N 324.222 1.938 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2[nH]cnc2C)s1 2257092183 BOQHPMGJLKGXAH-UHFFFAOYSA-N 304.422 1.375 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@H]2[C@H](O)CO)cc1Br 2258330788 JSHBRANKUVVZHM-OXHMUOHRSA-N 316.195 1.434 10 10 DDCE COC[C@H](C)OC[C@H](O)CNCc1cnc(SC)s1 2269199695 KHPFKRJMXGAWDC-VHSXEESVSA-N 306.453 1.367 10 10 DDCE CC(C)CN1C(=O)C(=CN[C@H]2CCCC[C@H]2C)C(=O)NC1=S 2295113229 QHHDGQLZQQRPJX-YPMHNXCESA-N 323.462 1.938 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@H](C(=O)O)[C@@H]2C)s1 2284496590 CPZPQMDXTMISAZ-CBAPKCEASA-N 315.420 1.870 10 10 DDCE O=S1(=O)C[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3O)C[C@@H]21 2336548163 GZVMIZRPIQJHCY-KWQFWETISA-N 322.213 1.928 10 10 DDCE C[C@H]1CN(C(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C[C@H](C)S1 70386366 MQNRBPAUGFACTG-NHCYSSNCSA-N 310.419 1.320 10 10 DDCE COC[C@@H](O)CCN[C@@H](C)c1ccc(N2CCC(O)CC2)cc1 90949422 HDNLYVPZOQSWPN-KSSFIOAISA-N 322.449 1.696 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N3CCCC[C@H]3CO)c(Cl)cc21 252599376 KSLFFAABVHHVNP-XPTSAGLGSA-N 309.797 1.904 10 10 DDCE CCOc1ccc(O)c(CN2CC[C@@H](OC)C[C@@H]2C(=O)OC)c1 370365086 DBEJLZOLHJCBOJ-UKRRQHHQSA-N 323.389 1.943 10 10 DDCE COC(=O)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)no1 280666544 BACLZDVFIBFOFK-UHFFFAOYSA-N 317.345 1.799 10 10 DDCE COc1ccc(N2CCN(CCN[C@H](C)C[C@H](C)N)CC2)cc1 817892766 CEKVLQVTVZHGRP-JKSUJKDBSA-N 320.481 1.533 10 10 DDCE COC[C@@H](CCCN)NCc1ccc(N2CCOCC2)cc1 817893109 DTUCAGPVSMHLIB-MRXNPFEDSA-N 307.438 1.367 10 10 DDCE C[C@@H](NC(=O)N1CCCO1)c1ccc(N2CCOCC2)cc1 812013598 AZOITAWSIKPIOB-CYBMUJFWSA-N 305.378 1.931 10 10 DDCE Cc1cc(CN2CC[C@@](O)(C(N)=O)C2)ccc1N1CCCCC1 829141080 ZSEXCNDOEOCPOJ-SFHVURJKSA-N 317.433 1.407 10 10 DDCE CCO[C@@H](CS(=O)(=O)Nc1ccc(O)cc1OC)C1CC1 901702513 DQDOJHWPKJFCOA-AWEZNQCLSA-N 315.391 1.958 10 10 DDCE Cc1nn(C)c(C)c1CNC(=O)/C=C\c1ccc(O)c(O)c1 588406742 HWJCJUOGHVEFNL-ALCCZGGFSA-N 301.346 1.778 10 10 DDCE O=C(c1cc(O)cs1)N1CCCC[C@@H]1CN1CCOCC1 748373474 UOUZSAZIUIOGCZ-GFCCVEGCSA-N 310.419 1.781 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@@H]3CCC[C@H](C2)N3)c1O 843107613 TWHONJWJPGBFDS-TXEJJXNPSA-N 307.350 1.635 10 10 DDCE O=C(NCCCSc1nccs1)NCC[C@H]1CCNC1 841855974 DOHOITDSEYVJRZ-LLVKDONJSA-N 314.480 1.924 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 840648476 KBENPSKAZAIAEM-UHFFFAOYSA-N 309.274 1.697 10 10 DDCE CN(C)c1ccc(CNC(=O)NCC23CC(CN2)C3)cc1F 851656571 LZOMDHUZKAENBU-UHFFFAOYSA-N 306.385 1.443 10 10 DDCE C[C@]12COC[C@@H]1CN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2 853859764 XSJKDKJXYRUDHC-VFZGTOFNSA-N 319.317 1.398 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3n[nH]cc3C)C2)cc1 855222907 CSWQVQMABJAYCX-LBPRGKRZSA-N 300.362 1.735 10 10 DDCE CCOC(=O)CN(Cc1ncccn1)Cc1ccccc1O 784678580 AWHLOPHBRCROKY-UHFFFAOYSA-N 301.346 1.748 10 10 DDCE Cc1cc(Br)c(O)c(CN(C)[C@H]2CCNC2=O)c1 781912835 WBLPSIGHHBENFX-NSHDSACASA-N 313.195 1.783 10 10 DDCE COc1cc(NS(=O)(=O)c2ccc(C(N)=O)cc2)ccc1O 797820455 YKOZOWGUFCVXHF-UHFFFAOYSA-N 322.342 1.301 10 10 DDCE COc1cncc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1 799125417 NBRCAGQJIIIYSX-UHFFFAOYSA-N 310.331 1.605 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@@H]1C[C@H]1N 1959189406 AMDNNWMTYONHRM-UTUOFQBUSA-N 308.378 1.881 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2cc(C)ccc2O)nc1 1147957814 WUBLRFAQJXCLDR-UHFFFAOYSA-N 300.314 1.812 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCCN1Cc1ccc(F)cc1O 1964592878 AIFIJDKPUICCRQ-ZDUSSCGKSA-N 301.383 1.930 10 10 DDCE CCS(=O)(=O)C1(CNCc2ccc(F)c(F)c2O)CC1 703230377 RKHOUKKUPKRINQ-UHFFFAOYSA-N 305.346 1.727 10 10 DDCE Nc1cccc(Br)c1N[C@@H]1CCS(=O)(=O)C1 697503028 ZVQNFBAABOKHKL-SSDOTTSWSA-N 305.197 1.630 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1COC(=O)N1 1351179494 XQIMMTKMAJYBSQ-AWEZNQCLSA-N 303.362 1.354 10 10 DDCE CC(C)(NC(=O)C(F)(F)F)C(=O)NCc1c(O)cccc1O 1456235715 NCDHYGSWDMTMKY-UHFFFAOYSA-N 320.267 1.171 10 10 DDCE CC(C)c1nncn1CCNC(=O)Cc1ccc(O)c(O)c1 1629640677 IQFWVKCXVFWKDF-UHFFFAOYSA-N 304.350 1.172 10 10 DDCE CCCN1C[C@H](CNC(=O)Cc2ccc(O)c(O)c2)CC1=O 1626821494 HJFBNZFHRYZLPP-LBPRGKRZSA-N 306.362 1.015 10 10 DDCE CCOC(=O)CN(CC)C(=O)c1ccc(N=NC(N)=O)cc1 1565610577 AVXNGZWPDMXFNG-UHFFFAOYSA-N 306.322 1.874 10 10 DDCE CS(=O)(=O)N1CC[C@H](N2CCCC[C@@H](CN=[N+]=[N-])C2)C1 1912171183 HEWFDQWNSJZIHC-RYUDHWBXSA-N 301.416 1.433 10 10 DDCE C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@]1(C)CO 1640824762 QJXYSHUDFKNNCS-MEBBXXQBSA-N 304.350 1.940 10 10 DDCE C[C@H](NC(=O)Cn1nnnc1-c1ccccc1)c1ccccc1O 1587450998 DGVFISVIWIXCPB-LBPRGKRZSA-N 323.356 1.923 10 10 DDCE COC[C@@H](F)Cn1c(C)nnc1N(C)Cc1ccccc1O 1770784463 OUBBLCBYYKHQRI-ZDUSSCGKSA-N 308.357 1.913 10 10 DDCE CN1C(=O)/C(=C2\C(=O)Nc3ccc(C(=O)O)cc32)SC1=S 207527575 JJSBRWJQXLTREJ-CMDGGOBGSA-N 320.351 1.538 10 10 DDCE Nc1ccc(OCC(=O)NCc2ccc(C(=O)O)cc2)cc1 1860080577 JZBQOSVVTPNQHQ-UHFFFAOYSA-N 300.314 1.662 10 10 DDCE CCc1cccc(CN[C@@H](C)CS(=O)(=O)N(C)C)c1O 1967713512 OEXXTJZLQROCNU-NSHDSACASA-N 300.424 1.324 10 10 DDCE N[C@H]1C(=O)Nc2cc(N(CCO)CC(F)F)c(Cl)cc21 231323113 MSCFGDPUAYKRND-LLVKDONJSA-N 305.712 1.356 10 10 DDCE CC(C)(C)OC(=O)N1CCN[C@](C)(c2c(O)cc(O)cc2O)C1 1952071865 QCZAREKSUREKKH-INIZCTEOSA-N 324.377 1.859 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)[C@H](F)CN 1952204349 JRLYUTQHPPOLRE-MNOVXSKESA-N 314.357 1.830 10 10 DDCE Cc1cccc(O)c1CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1985826531 ANFIGPIWRNKMBA-UKRRQHHQSA-N 322.405 1.770 10 10 DDCE CS(=O)(=O)C1CCC(NCc2cccc(F)c2O)CC1 2145396655 YMQKEWSCHOXZKH-UHFFFAOYSA-N 301.383 1.977 10 10 DDCE C[C@H](C(=O)Nc1ccc(N)cc1)N1CCC(C2OCCO2)CC1 2145836031 NHARHEZCBLJVTF-GFCCVEGCSA-N 319.405 1.681 10 10 DDCE C[C@@H](O)c1ccc(N2CCC[C@@H]2CS(C)(=O)=O)c(F)c1 2151276258 RXBZLFXRPXHVOV-ZYHUDNBSSA-N 301.383 1.892 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1CO[C@@H]2COC[C@H]12 2040326833 UDABLVZUXISFKA-YUSALJHKSA-N 314.179 1.658 10 10 DDCE O=C1CC[C@H](NCc2ccc(Br)cc2O)C(=O)N1 691470921 ZVGXXYOGGYKQBW-VIFPVBQESA-N 313.151 1.050 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC(C)(C)[C@@H]4COC[C@@H]43)c2n1 2062448050 YCPQFGIWIBIENF-NEPJUHHUSA-N 316.361 1.240 10 10 DDCE NCc1ccc(N2C[C@@H]3[C@@H](CO)C[C@H]3C2)c(Br)c1 2053978726 BTHSTSSGAGADFJ-TUAOUCFPSA-N 311.223 1.972 10 10 DDCE C[C@@H](O)c1cc(F)c(N2C[C@H]3C[C@H]2CS3(=O)=O)c(F)c1 2194512331 QFSDSWQNYPUTTJ-FKTZTGRPSA-N 303.330 1.394 10 10 DDCE C[C@@H](N)c1ccc(N2CC(=O)N[C@H]3CC[C@@H]32)c(Br)c1 2112059157 VQTJJTMIZPOVLX-WLTAIBSBSA-N 324.222 1.936 10 10 DDCE O=c1c2c(ccn1CCn1cc(Br)cn1)CCNC2 2094405822 YBFYKCIWCSTLQZ-UHFFFAOYSA-N 323.194 1.153 10 10 DDCE CSc1ncc(CNC(=O)N(C)C[C@@H](C)C(=O)O)s1 2269093807 FHMCEYYWNGXSBJ-SSDOTTSWSA-N 303.409 1.727 10 10 DDCE CSc1ncc(CNC(=O)NC2CC(C)(C(=O)O)C2)s1 2284504677 OGLDBRMQJSRBQK-UHFFFAOYSA-N 315.420 1.918 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CC(F)(F)[C@@H]2C(=O)O)s1 2284535960 GMSYTZSNSUYREQ-BQBZGAKWSA-N 322.358 1.837 10 10 DDCE NC(=S)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(O)c(O)c1 2286060869 BTLNQKMPUVYOMJ-ZETCQYMHSA-N 302.302 1.234 10 10 DDCE CCN1C(=O)C(=Cc2cccc(OC)c2OC)C(=O)NC1=S 2297327108 BIYSMISZVQVETD-UHFFFAOYSA-N 320.370 1.350 10 10 DDCE CN(C)c1ccc(/C=C/c2nc(N)[nH]c(=O)c2[N+](=O)[O-])cc1 4714219 VYBUYOCETLSRCP-VMPITWQZSA-N 301.306 1.497 10 10 DDCE O=C(O)CCNC1=NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)S1 6888912 JEDZSEPWTGEXGG-YFHOEESVSA-N 321.314 1.629 10 10 DDCE C[C@H](O)[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 302025173 HLZBUHIOSUPAMV-DTWKUNHWSA-N 307.306 1.133 10 10 DDCE COc1ccc(N2CCN(C(=O)C[C@@H]3CCNC3)CC2)cc1 174011816 HSPJTHUBXGITCL-AWEZNQCLSA-N 303.406 1.343 10 10 DDCE NCc1cc(F)c(N2CC[C@@H]3C[C@H]2[C@@H](O)[C@@H]3O)cc1Cl 2357592347 HRTHWLPWEUATLZ-DUDQEUOJSA-N 300.761 1.258 10 10 DDCE O=C(O)[C@@H]1CCCN(c2ccc(CN3CCOCC3)cc2)C1 71702282 GDTCZEXZPAHOHB-OAHLLOKOSA-N 304.390 1.820 10 10 DDCE CC[C@@H]1CN(C(=O)c2ccc(C)c(O)c2O)CCN1CCOC 182464989 ZHKYKXSSDYUMPC-CYBMUJFWSA-N 322.405 1.589 10 10 DDCE CNS(=O)(=O)c1ccccc1NCc1cccc(O)c1O 41117620 SSJNUOKNMQKSNJ-UHFFFAOYSA-N 308.359 1.618 10 10 DDCE CO[C@@H]1CC[C@H]2OCCN(Cc3cc4c(cc3O)OCO4)[C@@H]2C1 366847850 ZSYAEIZTWNJLSP-UMVBOHGHSA-N 321.373 1.889 10 10 DDCE CN1CCCc2cc([C@@H]3NC(=O)[C@@H]4CSCCN43)ccc21 270856146 ZVGDMODLXOLBQK-LSDHHAIUSA-N 303.431 1.615 10 10 DDCE C[C@@H](CN1CCOCC1)NCc1cc(Cl)c(F)cc1O 293435754 AADOLBICFKENPZ-JTQLQIEISA-N 302.777 1.995 10 10 DDCE O=C(NCc1cc(Br)ccc1O)[C@H]1CCOC1 804738448 QGCYUOLZJDPJNW-QMMMGPOBSA-N 300.152 1.807 10 10 DDCE CCCCCS(=O)(=O)C[C@H](O)COc1ccc(N)cc1 722443518 XPMNCSKLPIHEGR-CYBMUJFWSA-N 301.408 1.614 10 10 DDCE CCN(CC)S(=O)(=O)CCN(C)c1ccc(OC)cc1 2165163890 ILSSHJAGZHWINQ-UHFFFAOYSA-N 300.424 1.803 10 10 DDCE COCC[C@H](COC)NC(=O)NCc1cccc(OC)c1O 812574487 SQTBXOQRWHSKOR-GFCCVEGCSA-N 312.366 1.252 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Nc3cnsn3)C2)cc1 823356953 SWVPHXWKZHNWGI-JTQLQIEISA-N 319.390 1.947 10 10 DDCE CC[C@H]1[C@H](CO)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1O 824636523 ROHHKSLMNCKRGK-RYUDHWBXSA-N 310.350 1.902 10 10 DDCE CN(C)c1ccc(CNC(=O)COC2CCC(N)CC2)cc1 825973450 GPUDCQPHOVQEDF-UHFFFAOYSA-N 305.422 1.655 10 10 DDCE O=C(NCCCSc1nccs1)NCC[C@@H]1CCNC1 841855977 DOHOITDSEYVJRZ-NSHDSACASA-N 314.480 1.924 10 10 DDCE C[C@H]1C(=O)N(CCN(C)C)CN1Cc1cc(Cl)ccc1O 843428570 KSOFEXYPDGGIBU-NSHDSACASA-N 311.813 1.597 10 10 DDCE Cc1cc(O)c(CN2CC[C@@H](S(N)(=O)=O)C2)c(Cl)c1 840940418 YTEDUHJGTGGCTJ-SECBINFHSA-N 304.799 1.217 10 10 DDCE CCCC(=O)N1CCC[C@H]1C(=O)NCc1c(O)cccc1F 928711547 IOEHXAWQIHOSQQ-ZDUSSCGKSA-N 308.353 1.939 10 10 DDCE CCOc1ccc(O)c(CN[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1 850368032 HQOCBJJTHIJIGT-DGCLKSJQSA-N 313.419 1.846 10 10 DDCE C[C@H](N)[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 851667534 OYZQIIYENPEXSX-QWHCGFSZSA-N 320.437 1.183 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC/C=C\CN)C2)cc1 851668466 SZADXDJYYSDHMM-XQJDBVBESA-N 304.394 1.088 10 10 DDCE CCn1ncc(CN[C@H](C)c2cc(C(=O)OC)ccc2O)n1 858444994 XASQUGZMRNSCTD-SNVBAGLBSA-N 304.350 1.641 10 10 DDCE COc1ccc(N2CC[C@@H](Nc3nccn4cnnc34)C2)cc1 853758594 HYXFWSIPFWTVGS-GFCCVEGCSA-N 310.361 1.824 10 10 DDCE COc1ccc(N2CC[C@H](N=c3cc[nH]cc3C(N)=O)C2)cc1 853759059 OJQKFCHKLJJLEN-LBPRGKRZSA-N 312.373 1.302 10 10 DDCE Cn1cnc(S(=O)(=O)N2Cc3cccc(O)c3C2)c1Cl 867691317 ZJXFTYNQFISWHJ-UHFFFAOYSA-N 313.766 1.484 10 10 DDCE COC[C@]1(C(=O)NCc2ccc3cccnc3c2O)CCOC1 862025328 SNLPUSGOJCRDKC-QGZVFWFLSA-N 316.357 1.610 10 10 DDCE Nc1ccc(CCNC(=O)N2C[C@@H]3[C@H]4CC[C@@H](NC4)[C@H]3C2)cc1 861641826 XEJXFKFNKYUQSR-PQEBFOHHSA-N 314.433 1.451 10 10 DDCE COc1cc(O)c(CN[C@@H](C)[C@H](O)C(F)(F)F)cc1OC 877693257 DGXCXNZGMLCBSM-MADCSZMMSA-N 309.284 1.811 10 10 DDCE COC(=O)C1(CS(=O)(=O)N[C@@H](C)c2ccccc2O)CC1 867836542 XALQIBGXDCSILH-JTQLQIEISA-N 313.375 1.326 10 10 DDCE CNCCOCCNC(=O)NCc1c(O)ccc2c1CCCC2 861678164 SOQBBXMWIXVGRU-UHFFFAOYSA-N 321.421 1.306 10 10 DDCE CCOC(=O)C1(CC(=O)NCc2ccccc2O)CCOCC1 866755482 JOJHFYRMTFEXNC-UHFFFAOYSA-N 321.373 1.758 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](C(F)F)CC1 870645347 HJAMNIXIRRYUIW-CXLRFSCWSA-N 313.300 1.994 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H](CO)C3)c1 898146524 BBVNPCJEYWXQNT-UQOMUDLDSA-N 304.390 1.907 10 10 DDCE C[C@H](NC(=O)N1CC[C@H](O)[C@H](CO)C1)c1ccc(N(C)C)cc1 1226646607 COMLOPNIZCIBKR-NOLJZWGESA-N 321.421 1.198 10 10 DDCE COc1ccc(CNC[C@H](C)CNC(=O)c2nc[nH]n2)cc1C 1319259028 SLBVNTAVUJWTRC-NSHDSACASA-N 317.393 1.277 10 10 DDCE CN[C@H](C)CCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 1329822990 HULVAKVTTRAEOM-KGLIPLIRSA-N 320.437 1.571 10 10 DDCE CSCc1n[nH]c(CNC(=O)c2c(F)ccc(O)c2O)n1 1184324888 HFOVRNUJLXGEEY-UHFFFAOYSA-N 312.326 1.148 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)C(C)(F)F)cc1C 1278040814 FAFJPHVSYZWRDL-GFCCVEGCSA-N 316.348 1.226 10 10 DDCE CC(C)[C@@](C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(N)=O 1467935379 QPSLJGRWZGVDOP-CQSZACIVSA-N 305.338 1.479 10 10 DDCE C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CN(C)CCO1 1545547801 VEELLHOIEJNKTE-MFKMUULPSA-N 319.365 1.298 10 10 DDCE COC[C@H](C)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1714309558 QBHZDRLOAYQATB-QWRGUYRKSA-N 321.381 1.592 10 10 DDCE Nc1nccc(C(=O)NCc2cc(Cl)ccc2O)c1[N+](=O)[O-] 1628666641 HICVUHPBDONBLL-UHFFFAOYSA-N 322.708 1.861 10 10 DDCE CC(=O)N[C@@H](CCC(C)C)C(=O)NCc1cc(O)ccc1O 1633598994 KHFYXXVVDBTDCR-AWEZNQCLSA-N 308.378 1.655 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cc(C(F)(F)F)n[nH]1 1593739174 IFQONZMKOPVDPI-UHFFFAOYSA-N 301.224 1.770 10 10 DDCE Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)c(O)c1O 1596280812 XJUQWICUOACADI-ZDUSSCGKSA-N 319.332 1.879 10 10 DDCE CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(\C)NN1CCOCC1 17054544 ZKVLKATURQDDCU-RVDMUPIBSA-N 318.352 1.659 10 10 DDCE CC(C)OC(=O)NS(=O)(=O)N(C)[C@@H](C)c1ccccc1O 163229210 BAOUKWFLJQXURL-JTQLQIEISA-N 316.379 1.764 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H]3C(C(N)=O)[C@H]3C2)c(Br)c1 2136610226 BVWLEIJKGNDZBJ-HGNGGELXSA-N 324.222 1.636 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl 2144171329 XLLIONXGAZAFTO-MXWKQRLJSA-N 314.838 1.841 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NC#N 1984750286 DGAFVGXUEWEVHX-JTQLQIEISA-N 321.333 1.131 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N=c3cc(C)n(C(C)C)[nH]3)c2n1 2065245878 VHRMQEWELBDXEJ-UHFFFAOYSA-N 314.349 1.503 10 10 DDCE C[C@@H](N)c1ccc(N2CC3(CNS(=O)(=O)C3)C2)c(Cl)c1 2176158109 NVNFNSXLMCTGIP-SECBINFHSA-N 315.826 1.099 10 10 DDCE CN(C)c1ccc([C@@H](NN)c2ncc(Br)cn2)cc1 2106824789 CMFOUFREENZHAZ-GFCCVEGCSA-N 322.210 1.858 10 10 DDCE C[C@@H](NCc1ccc(Cl)cc1O)[C@@H]1CCS(=O)(=O)C1 2090125392 UVBIIXNGVZAZBX-MWLCHTKSSA-N 303.811 1.958 10 10 DDCE CC(C)(C)OC(=O)N1CCCC[C@@H](COc2nnc(=N)[nH]n2)C1 2210652321 UOHVHWQYBNAOTM-SNVBAGLBSA-N 324.385 1.095 10 10 DDCE CSc1ncc(CNC(=O)c2ccc(C(=O)O)nc2)s1 2284557322 QDOBGSIFWMWCOH-UHFFFAOYSA-N 309.372 1.888 10 10 DDCE Cc1ccc(C)c(N2C(=O)C(=CNC3CC3)C(=O)NC2=S)c1 2296154574 LSUZSCAXEOUEOY-UHFFFAOYSA-N 315.398 1.687 10 10 DDCE O=S1(=O)CC[C@H]2CN(Cc3cccc(Cl)c3O)C[C@H]21 377703486 UWXZOHKMFDUNRR-JOYOIKCWSA-N 301.795 1.665 10 10 DDCE O=C1C(=Cc2ccc3c(c2)OCCO3)SC(=S)N1CCO 2323676518 CZTHPMJIRMGSKO-UHFFFAOYSA-N 323.395 1.651 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(Cl)c(C(=O)O)s1 2317457183 JFXKEBQTIBBAFW-UHFFFAOYSA-N 313.788 1.493 10 10 DDCE Cc1ccc(CN[C@@H]2CCOC[C@H]2O)c(O)c1Br 2327629754 PRXFRIAHPOWCBJ-GHMZBOCLSA-N 316.195 1.703 10 10 DDCE CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCn2ncnc21 176609465 JQMIWAHMAUIRIG-GFCCVEGCSA-N 301.350 1.660 10 10 DDCE Oc1cc2c(cc1CN1CCN(c3cnccn3)CC1)CCC2 55356813 JEPZPGUCGHVUSV-UHFFFAOYSA-N 310.401 1.993 10 10 DDCE Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H]1CCC(=O)N(C)C1=O 316257729 FVPWDLMMTODORG-WOPDTQHZSA-N 302.374 1.986 10 10 DDCE Nc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 35407765 AEQGYCNJSFFQEG-UHFFFAOYSA-N 306.347 1.560 10 10 DDCE COc1ccc(CC(=O)NCCN2C(=O)CSC2=S)cc1 49755703 LXMCJTRUDHGREU-UHFFFAOYSA-N 324.427 1.214 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCCC(=O)N1 194470227 ORHLHWDAZMIVJG-PWSUYJOCSA-N 306.362 1.204 10 10 DDCE Cc1c(N=NN2CCN(C)CC2)c(=O)n(-c2ccccc2)n1C 254411331 LTRXBXWZDZJGQK-UHFFFAOYSA-N 314.393 1.731 10 10 DDCE COC(=O)[C@@]12CCOC[C@@H]1CN(Cc1cccc(C)c1O)C2 373483175 IRKVLNJGZWJOKM-WMLDXEAASA-N 305.374 1.712 10 10 DDCE C[S@@](=O)CC1CN(c2cc3c(cc2Cl)[C@@H](O)C(=O)N3)C1 2166654507 VGFYZFSOIDFSIL-MPBGBICISA-N 314.794 1.140 10 10 DDCE O=[N+]([O-])c1cc([C@H](C(F)F)N2CCNCC2)cc(O)c1O 575259002 BLVTUFGUBFGLPL-SNVBAGLBSA-N 303.265 1.217 10 10 DDCE C[C@@]12COC[C@@H]1CN(Cc1ccc(N3CCOCC3)cc1)C2 827283619 QWZKETKUGJKHBI-FUHWJXTLSA-N 302.418 1.992 10 10 DDCE C[C@H](O)C(=O)N1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 835028028 IHDHCSQGNPIJOU-XVWMLYKFSA-N 317.433 1.291 10 10 DDCE O=C1CC[C@@H]2[C@H]1[C@@H]2C(=O)NCc1cc(Br)ccc1O 908169823 ANVSSXRRUDZKMD-OASPWFOLSA-N 324.174 1.996 10 10 DDCE CCOCCNC(=S)N[C@H]1CCN(c2ccc(OC)cc2)C1 849270959 VRBDMDWFPFRGPZ-ZDUSSCGKSA-N 323.462 1.775 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)/C=C\[C@H]3CCOC3)C2)cc1 855223126 FCMZTYUXMVGXEM-XQJKFJQISA-N 316.401 1.983 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCCSC)C2)cc1 851928566 NFEDSHJDRWOATN-LBPRGKRZSA-N 309.435 1.936 10 10 DDCE CCN1C[C@H](CNC(=O)NCc2c(O)cccc2F)CC1=O 923076433 ZUKRKCJHBVGCOU-JTQLQIEISA-N 309.341 1.199 10 10 DDCE C[C@@H](N[C@H]1CCN(c2ccc3nncn3n2)C1)c1ccccc1O 858489213 WMNMVPARMOWPEH-OLZOCXBDSA-N 324.388 1.759 10 10 DDCE CNCCCC(=O)N1CCC(NCc2cccc(C)c2O)CC1 853247900 FSIUNLSJAXKLGH-UHFFFAOYSA-N 319.449 1.781 10 10 DDCE COc1cc(N2CC[C@@H](O)C(F)(F)C2)c([N+](=O)[O-])cc1OC 853803218 KBBMRUVUHPJSLC-GFCCVEGCSA-N 318.276 1.818 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCO[C@@]2(CCOC2)C1 1137889080 PGDFUBSZKNUZRH-LRDDRELGSA-N 307.346 1.095 10 10 DDCE NC(=O)c1cccc(N)c1N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 398322838 ASMMCKPSHWIILJ-QLPKVWCKSA-N 322.412 1.910 10 10 DDCE CO[C@](C)(CO)CNCc1cccc(Br)c1O 702532426 QRJDXJZRKQBJEP-LBPRGKRZSA-N 304.184 1.642 10 10 DDCE C[C@H]1C[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 1327676021 GUMRHBKJRLPVOH-WFASDCNBSA-N 315.417 1.457 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2ncccn2)cc1C 1265844233 XAUZDHNCBLHPMA-CYBMUJFWSA-N 314.389 1.702 10 10 DDCE CC1(C)C[C@](C)(NC(=O)NCc2c(O)cccc2F)C(=O)O1 1346946093 PLICTWMXTQKVJZ-HNNXBMFYSA-N 310.325 1.815 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2cn[nH]c2)cc1C 1268678737 ONNADPIVXKFNPK-LBPRGKRZSA-N 302.378 1.635 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2cc3ncccn3n2)c1 1445970891 RBEUUNNZZSGJIS-SNVBAGLBSA-N 312.329 1.935 10 10 DDCE C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCc3ccc(O)c(O)c3)CN2C1 1465954601 RFMMDFMOFWDCRK-MRVWCRGKSA-N 304.390 1.834 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1cc(O)nc(S)n1 1469719430 IWTHAUXMRJJWEV-RQOWECAXSA-N 319.342 1.212 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1=C2CCCN=C2NN1 1540440736 RVCBBNVEOOMNCF-UHFFFAOYSA-N 313.405 1.265 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NCc1ccc(O)cc1O 1557085281 HEGMMMBFGMYHAU-NWDGAFQWSA-N 322.361 1.627 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H](O)c2cnn(C)c2)c1 1622778907 AQLPNEDTCIOBTR-YMTOWFKASA-N 305.334 1.045 10 10 DDCE O=C(NCCn1ccnn1)c1cc2cc(O)c(O)cc2s1 1557234283 ICPDAVLMXILUAG-UHFFFAOYSA-N 304.331 1.334 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](n2ccnn2)CC1 1634166067 SFVQRYBGPGINHP-ZDUSSCGKSA-N 316.361 1.486 10 10 DDCE Cc1cc(C(=O)NC[C@@H]2CNC(=O)C2)c(C)n1-c1ccccn1 1642824738 CQYVQJJUELSXFX-ZDUSSCGKSA-N 312.373 1.355 10 10 DDCE CC[C@@H](C(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1)N(C)C 1732971495 VHKZKQZNWQSBTI-ZBFHGGJFSA-N 321.465 1.938 10 10 DDCE Cc1cc(C(N)=O)ccc1NC(=O)c1c(F)ccc(O)c1O 1650752252 UFQKSJSPZPLPDI-UHFFFAOYSA-N 304.277 1.897 10 10 DDCE C[C@H](Oc1ccc(C=O)cc1)C(=O)NCc1cccc(O)c1O 1593739908 ZAKIRQJKIJIQMA-NSHDSACASA-N 315.325 1.994 10 10 DDCE COCC(=O)N1CCC(NCc2cccc(Cl)c2O)CC1 158134674 NMSIINLDLKFBBI-UHFFFAOYSA-N 312.797 1.773 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)c1nc(C)c(C)[nH]c1=O 160075568 FPCOIYGAFZKDPU-UHFFFAOYSA-N 314.389 1.691 10 10 DDCE Nc1ccc(CN2CCC[C@H](NC(=O)[C@@H]3CCCO3)C2)cc1 586066842 SJYLFVKMHFIQIO-HOTGVXAUSA-N 303.406 1.528 10 10 DDCE CC[C@H](O)CN(Cc1ccccc1)C(=O)c1cc(O)nc(O)c1 1915116047 QBMMGXUIYQXVEH-AWEZNQCLSA-N 316.357 1.906 10 10 DDCE COC[C@@H]1CNCCN1Cc1cc(Cl)cc(OC)c1O 2144739520 KLHLVTSOIKEENT-LBPRGKRZSA-N 300.786 1.474 10 10 DDCE O=S1(=O)C[C@H]2CCN(c3c(F)cc(CO)cc3F)[C@H]2C1 2151271502 FVWMTNYNPPYKCC-SKDRFNHKSA-N 303.330 1.080 10 10 DDCE NCc1cc(F)c(N2CC=C[C@H]2CO)cc1Br 2007498250 MNVPVEXVQFSVFN-VIFPVBQESA-N 301.159 1.784 10 10 DDCE CSCC[C@@H](NC(N)=O)C(=O)N1CCC[C@@H]1CN=[N+]=[N-] 701264653 VLVVCAAWNFJTSB-RKDXNWHRSA-N 300.388 1.078 10 10 DDCE NC(=O)C1CN(c2ccc(CNC3CC3)c(Br)c2)C1 382079839 NRFHMNGSRJDAMQ-UHFFFAOYSA-N 324.222 1.623 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC[C@H](O)C(F)(F)F)cc1 717335415 JYOUUBUOJDOHCG-JTQLQIEISA-N 312.313 1.002 10 10 DDCE CC[C@@H](c1ccc(OC)cc1O)n1nc(C)c(C(N)=O)c1N 2079958298 UCTZWFXHTICFAW-NSHDSACASA-N 304.350 1.586 10 10 DDCE CCN(C(=O)NCc1cnc(SC)s1)[C@@H](C)C(=O)O 2269123166 GJZPDCNIGKGZKF-ZETCQYMHSA-N 303.409 1.870 10 10 DDCE CC(C)(CS(=O)(=O)Nc1ccc(O)cc1Cl)C(=O)O 2274335179 HFWPDJPCABNVRH-UHFFFAOYSA-N 307.755 1.898 10 10 DDCE CCN(C)CCNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297555080 FEPAQKJGMSCHEW-UHFFFAOYSA-N 317.433 1.604 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3C[C@H]2[C@@H]3CO)cc1Br 2311887710 ZSGAQNMJLNCEJY-SBMIAAHKSA-N 315.186 1.864 10 10 DDCE Cc1ccc(CN(C)C[C@](C)(O)CN)c(O)c1Br 2327799777 AFPHEVRPTKCONS-CYBMUJFWSA-N 317.227 1.605 10 10 DDCE c1cc(N2CCOCC2)ccc1CNCCOC[C@H]1CCCO1 115625848 AUZBXPUNKLILOD-GOSISDBHSA-N 320.433 1.808 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CN(C2CC2)CCO1 180783907 JCYLIKDCBBWCEE-XCVZWFEFSA-N 318.373 1.090 10 10 DDCE O=C1NC(=O)[C@@H]2ON(Cc3ccccc3)[C@@H](c3ccccc3O)[C@H]12 248073039 YTNXKGBJVHRFBR-HRCADAONSA-N 324.336 1.522 10 10 DDCE COc1cc(N2CCO[C@]3(CCOC3)C2)c([N+](=O)[O-])cc1OC 274346808 ABFNVKNDYXXRNZ-OAHLLOKOSA-N 324.333 1.608 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)CCOCCO)c([N+](=O)[O-])c1 283624024 VIXXPPZRCPMQCI-GQCTYLIASA-N 324.333 1.226 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C1(CO)CCOCC1 827908134 LKQNQKHYQLOFEU-UHFFFAOYSA-N 320.433 1.497 10 10 DDCE COC(=O)C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H]1C 905710544 OIYXKJSFXYUUDO-GHMZBOCLSA-N 307.346 1.752 10 10 DDCE O=C(O)c1cnn2c(O)cc(CN3CCC[C@H](CCF)C3)nc12 849345996 NXQXJZHPGZKGGI-SNVBAGLBSA-N 322.340 1.705 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@@H]2CNCCC2(F)F)c1O 841080847 QSXVIKANUIDNEM-SNVBAGLBSA-N 317.292 1.396 10 10 DDCE Nc1ccc(CC(=O)N2CCCC[C@@H]2[C@H]2C[C@H](N)CCO2)cc1 846700666 WDHVAIFDSRHQJI-BRWVUGGUSA-N 317.433 1.699 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3ccc(N)cn3)C2)cc1 851639333 DBCOKVRNHCVARV-ZDUSSCGKSA-N 312.373 1.681 10 10 DDCE O=S(=O)(CCN[C@@H]1CCc2cccc(O)c21)CC(F)(F)F 850518727 VDKAHTQNUPASGS-SNVBAGLBSA-N 323.336 1.946 10 10 DDCE CC[C@H](Cn1cncn1)N[C@H]1CCN(c2ccc(OC)cc2)C1 850487896 JYTONYIGPCNIMV-CABCVRRESA-N 315.421 1.934 10 10 DDCE O=S(=O)(C[C@@H]1CCC1(F)F)NCc1c(O)cccc1F 921450697 DBHZUDYWOKOLSF-QMMMGPOBSA-N 309.309 1.996 10 10 DDCE COc1ccc(N2CC[C@H](N[C@H](C)C[C@@H]3COCCN3)C2)cc1 854216719 DHRYTJMZQQWIRA-OWCLPIDISA-N 319.449 1.631 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cncc(O)c3)C2)cc1 855223192 CJORYZMKYYUWIX-CYBMUJFWSA-N 313.357 1.805 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)NC(=O)OC 935947646 BCWDXZXVEOWPIO-VIFPVBQESA-N 301.339 1.239 10 10 DDCE C[C@@H](c1ccnn1C)N1C(=O)CN(Cc2ccccc2O)C1=O 865339467 JXVCEONAEMZDSF-NSHDSACASA-N 314.345 1.651 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3cc(O)ncn3)C2)cc1 862159352 RMJHOTKJQRQFBD-LLVKDONJSA-N 314.345 1.200 10 10 DDCE CN(C)c1ccc(CN2C(=O)N[C@@H](Cc3ccccn3)C2=O)cc1 760949311 MDLWXMWBGGKEGH-INIZCTEOSA-N 324.384 1.811 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](O)c1cnc[nH]1 868889238 IEVJPOXEHLMNMW-WBMJQRKESA-N 316.405 1.565 10 10 DDCE CCOC(=O)C[C@H](O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 773882556 GEXJOIZPUZYSAI-HNNXBMFYSA-N 322.405 1.415 10 10 DDCE COC(=O)NCCCNCc1ccc(Br)cc1O 1875637127 IEGCPUTWHNBCBS-UHFFFAOYSA-N 317.183 1.990 10 10 DDCE O=C1NC2(CCN(Cc3cc4c(cc3O)CCC4)CC2)CO1 784023529 MCMPYRGCRQCVRW-UHFFFAOYSA-N 302.374 1.955 10 10 DDCE C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc2cc(O)c(O)cc2s1 897016263 ZNRXOYWNRJAVIG-WCBMZHEXSA-N 323.370 1.534 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CO)[C@@H]1CCCOC1 1142203468 OKXJFKVIIAREIV-FSMZVQOTSA-N 307.346 1.015 10 10 DDCE Cc1ccccc1N(C)C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 1301301733 OCPNIBRQKQQYBR-KTKRTIGZSA-N 313.357 1.069 10 10 DDCE CSCC[C@H](NC(N)=O)C(=O)N1CCC[C@H](N=[N+]=[N-])C1 701263625 HJWWJPKXPWSSPQ-IUCAKERBSA-N 300.388 1.078 10 10 DDCE O=C(Nc1ncn(Cc2cccnc2)n1)c1cccc(O)c1O 1256219254 GYZSMWVOFZZEPX-UHFFFAOYSA-N 311.301 1.385 10 10 DDCE COc1cc(C)cc(CN[C@H]2CC[C@H](C)S(=O)(=O)C2)c1O 1333718210 HAHCBLXKPTXXCC-AAEUAGOBSA-N 313.419 1.765 10 10 DDCE CCOC(=O)C[C@@H](O)C(=O)NCc1ccc(N(CC)CC)cc1 1441712794 KTOWJWLCHDZBKD-OAHLLOKOSA-N 322.405 1.463 10 10 DDCE c1cc2c(cc1CNCCN1CCC3(C1)OCCO3)CCO2 1461769779 YSEBLFBJPRUKRL-UHFFFAOYSA-N 304.390 1.160 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)c1c(F)cccc1F 1471866989 BVUMLDBVGJKAOY-AWEZNQCLSA-N 323.295 1.768 10 10 DDCE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)CC(N)=O 1629966547 VPTRUSITJPSHTC-UHFFFAOYSA-N 313.357 1.464 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ccnn1CC(F)(F)F 1643104203 PVHFNTBZUHPVHW-UHFFFAOYSA-N 315.251 1.787 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)CCCCCO 1643245172 KKFHWJABEZAUBV-UHFFFAOYSA-N 323.389 1.837 10 10 DDCE O=C(NCc1c(O)cccc1F)c1ccc2nc(O)[nH]c2n1 1645048422 VNYLQGUTILFLBF-UHFFFAOYSA-N 302.265 1.438 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCN2CCCC[C@@H]12 1644107740 MKTJKXGEMOPZJW-KGLIPLIRSA-N 304.390 1.773 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCN2CCSC[C@H]12 1596067622 USXXUFBDPBWYEW-CHWSQXEVSA-N 322.430 1.336 10 10 DDCE C[C@H](O)CNCCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1670362065 ZXVUQWRGNQQWOY-NSHDSACASA-N 321.381 1.282 10 10 DDCE CCNCc1ccc(N2CC(=O)NC(=O)[C@H]2CC)c(Cl)c1 164136797 MXCAXVPHLNSVTJ-GFCCVEGCSA-N 309.797 1.691 10 10 DDCE O=S(=O)(Nc1ccc(O)c(C(F)(F)F)c1)c1c[nH]cn1 121953563 ZNOXABTYRRKFFE-UHFFFAOYSA-N 307.253 1.935 10 10 DDCE Oc1ccc(Br)cc1CN[C@@H]1C[C@@H](O)C[C@H]1O 2000838141 WYFKTUHCFVABOW-CKYFFXLPSA-N 302.168 1.129 10 10 DDCE CCNCc1ccc(N2CC[C@@H]2C(N)=O)c(Br)c1 2028914393 GASGZCMKYMVRQY-GFCCVEGCSA-N 312.211 1.623 10 10 DDCE CN([C@H]1CCSC1)S(=O)(=O)CCOc1ccc(N)cc1 70490582 QQWJOVJHVYHBFD-LBPRGKRZSA-N 316.448 1.415 10 10 DDCE CCCN[C@@H](C)c1cnc(SC2=NC(=O)CC(=O)N2)s1 2159808023 UDTJPUAVCVIHCU-ZETCQYMHSA-N 312.420 1.698 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@@H]3CCOC3(C)C)c2n1 2062196883 JESAOTGDOXALQM-JTQLQIEISA-N 304.350 1.288 10 10 DDCE NCc1cc(F)c(N2C[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1Cl 2177376551 GQRIBYTYTWJAON-UWVGGRQHSA-N 318.801 1.419 10 10 DDCE CCN(c1ccc([C@@H](C)N)c(O)c1)[C@@H](C)CS(C)(=O)=O 2170403178 MTZSHKVLPHTTCO-WDEREUQCSA-N 300.424 1.671 10 10 DDCE C[C@H](N)c1cc(F)c(N2CCS(=O)(=O)C[C@H]2C)c(F)c1 2194703643 UZOLHLQKNAYVFM-BDAKNGLRSA-N 304.362 1.608 10 10 DDCE O=C(Nc1nccnc1Br)c1cccc(O)c1O 2057940141 CCONJGSUKKYCRQ-UHFFFAOYSA-N 310.107 1.903 10 10 DDCE CN([C@@H]1COCC1(F)F)S(=O)(=O)Cc1ccc(N)cc1 2197019089 SRGDZGGIOAJOFC-LLVKDONJSA-N 306.334 1.065 10 10 DDCE CNCc1ccc(N2CC[C@H](O)[C@H](O)C2)c(Br)c1 2068371136 UKFWPXYRBKKVPD-QWHCGFSZSA-N 315.211 1.100 10 10 DDCE COc1ccc(Br)c(CNC2[C@@H]3COC[C@@H]23)c1O 2220463075 VZBQURUMXCXGOW-RKDXNWHRSA-N 314.179 1.898 10 10 DDCE CCOCCCS(=O)(=O)CCCOc1ccc(N)cc1 2235699815 VESFWGOAGDLEES-UHFFFAOYSA-N 301.408 1.879 10 10 DDCE CSc1ncc(CNC(=O)C(F)(F)[C@H](N)C2CC2)s1 2269188640 RFFVKLZBOVGCJR-MRVPVSSYSA-N 307.391 1.854 10 10 DDCE CSc1ncc(CNCc2cc(C(=N)NO)ccn2)s1 2284539878 WIFTUEDDVOVTOT-UHFFFAOYSA-N 309.420 1.854 10 10 DDCE N=C1C(=Cc2ccco2)C(=O)N=C2SC(N3CCCC3)=NN12 2297352884 WPXJRCWWHBLETK-UHFFFAOYSA-N 315.358 1.952 10 10 DDCE Cc1ccc(CN2CC([N+](=O)[O-])C2)c(O)c1Br 2307472802 PZQPUELBOIHTLY-UHFFFAOYSA-N 301.140 1.924 10 10 DDCE CN1C(=O)C(=Cc2ccc3c(c2)CC(C)(C)O3)C(=O)N(C)C1=O 103717046 CLBVNJSMRIQWQZ-UHFFFAOYSA-N 314.341 1.834 10 10 DDCE CN(C)c1ccc(CNC(=O)NCc2nnc3ccccn23)cc1 31728402 QBPRHUIOERSBGZ-UHFFFAOYSA-N 324.388 1.795 10 10 DDCE Cc1ccc(O)c(CN2CCN(c3ccc4nncn4n3)CC2)c1 120503040 PTFBHLLFXMLGLB-UHFFFAOYSA-N 324.388 1.461 10 10 DDCE C[C@H]1CCCN(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)C1 48847218 RXUZQUBJVLUWCX-VIFPVBQESA-N 314.363 1.479 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2ccnc(O)c2C1 365285338 WMBPQXKBSIHOMZ-DUXPYHPUSA-N 312.325 1.797 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(C2CC2)nc2onc(C)c12 808499279 QXODCHTUYYIIRC-UHFFFAOYSA-N 302.286 1.724 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc(CN2CCCCC2=O)cc1 808503068 DOFUUGHEAAMJSW-UHFFFAOYSA-N 317.341 1.514 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)c1cnc2n1CCOC2 827955298 DCVZQHDGBKPUQB-UHFFFAOYSA-N 314.389 1.718 10 10 DDCE C[C@H](NC(=O)N[C@@H](C)[C@H](C)N)c1ccc(N2CCOCC2)cc1 841739700 BFWTVRYHJLEQSL-IHRRRGAJSA-N 320.437 1.619 10 10 DDCE CN(CCC(=O)NCc1ccc(O)cc1O)c1ccncc1 910949293 HTFSWZLBGVBINA-UHFFFAOYSA-N 301.346 1.636 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3nc(C)no3)C2)cc1 855224389 KHMDQASLDYXEBT-NSHDSACASA-N 302.334 1.395 10 10 DDCE COCc1n[nH]c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2O)n1 850514013 KMULXFFTVFHSJO-QMMMGPOBSA-N 307.310 1.416 10 10 DDCE O=C(C[C@@H]1CCCS(=O)(=O)C1)NCc1c(O)cccc1F 928705002 BXQKUEDUQOVHRP-JTQLQIEISA-N 315.366 1.362 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@]3(C)CCCO3)C2)cc1 855233923 PILHQXGXSVOEHP-DYVFJYSZSA-N 304.390 1.959 10 10 DDCE CCN(CC)c1ccc(CNC[C@]2(OCCO)CCOC2)cc1 850357396 IMABXPGPRVPDIZ-GOSISDBHSA-N 322.449 1.790 10 10 DDCE CNCCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851661743 NGAGJHROFVUQJD-ZDUSSCGKSA-N 306.410 1.183 10 10 DDCE Oc1cc2c(cc1CN1CCC[C@@H]3COCC[C@H]31)[C@H](O)CO2 768463671 LDXMEBZLTBXZDR-DJSGYFEHSA-N 305.374 1.819 10 10 DDCE CO[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)[C@@](C)(CO)C1 870524850 BVZOKYZZSXTWHP-VMADHQJXSA-N 307.346 1.109 10 10 DDCE C[C@@H]1CO[C@H](C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 893608188 RVPCRLVOKGXNTG-YOEHRIQHSA-N 317.433 1.480 10 10 DDCE C[C@H](NCc1cc2c(cc1O)OCO2)C1(S(C)(=O)=O)CC1 796488023 BLUROXBNZRUYQF-VIFPVBQESA-N 313.375 1.176 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)c1ccc(O)c(O)c1 1962353141 HSYKRZUHFBFZFJ-ZJUUUORDSA-N 308.334 1.493 10 10 DDCE CC(=O)Nc1cccc(C(=O)NCc2c(O)cccc2O)c1 1178905066 FKOGGUDEYZJYHZ-UHFFFAOYSA-N 300.314 1.986 10 10 DDCE CC1=CC(C(=O)Nc2ccc(-c3ncon3)cc2)=S=C1C=O 1292606122 OFMZIQUYZBCDCI-UHFFFAOYSA-N 313.338 1.912 10 10 DDCE NC(=O)c1cc(NCc2c(O)cccc2O)ccc1[N+](=O)[O-] 1458646319 VZUORHFOBZABBK-UHFFFAOYSA-N 303.274 1.717 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)c1ccn2nnnc2c1 1452934506 BJRUDXWLOSMZTQ-UHFFFAOYSA-N 303.709 1.413 10 10 DDCE O=C(CC1CS(=O)(=O)C1)Nc1c(Cl)ccc2nonc12 1525322000 HEQRFYDGQCIOCS-UHFFFAOYSA-N 315.738 1.249 10 10 DDCE CN(C)c1ccc(CNC(=O)c2ccnc3[nH]c(O)nc23)cc1 1463727304 RAIMRMIMOUDWCY-UHFFFAOYSA-N 311.345 1.660 10 10 DDCE Cc1nc([C@H](NC(=O)c2cc(O)cs2)c2cnn(C)c2)no1 1468480852 DUXHLECLGVSFPI-LLVKDONJSA-N 319.346 1.398 10 10 DDCE COC[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)OC 1629243045 WLONQOHPSDRPFG-GFCCVEGCSA-N 308.338 1.630 10 10 DDCE C[C@@H]1CCc2[nH]nc(C(=O)NCc3cc(O)ccc3O)c2C1 1558175612 XPBLUBSWFGOONH-SECBINFHSA-N 301.346 1.876 10 10 DDCE CSc1nc(O)cc(CNC(=O)c2cccc(O)c2O)n1 1640174089 CRVRXUKMNIQKOI-UHFFFAOYSA-N 307.331 1.245 10 10 DDCE COC(=O)[C@](C)(CCF)NC(=O)c1ccc(N=NC(N)=O)cc1 1641438039 HSNGRCLXDCRJNJ-AWEZNQCLSA-N 324.312 1.870 10 10 DDCE O=C1O[C@@H](C(=O)NCc2c(O)cccc2F)Cc2ccccc21 1652295989 YXESIPHASRNVHP-OAHLLOKOSA-N 315.300 1.929 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCOC1=O 1683796421 OTJFBIWHZBHJKQ-HNNXBMFYSA-N 317.389 1.744 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NCc2nonc2C)c1 1687479008 KTCCHLOTFDRUNP-QMMMGPOBSA-N 306.322 1.653 10 10 DDCE C[C@H](O)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccc2)SC1=S 1858592225 JKLFVMXMZRVBBP-HYVKJMSASA-N 323.395 1.722 10 10 DDCE C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccc(N)cc2)CS1 2132927236 HIYHAYBQKBMYPE-GXFFZTMASA-N 300.449 1.924 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@H]2CC23CC3)cc1C 1676583828 NGPJQOYFVVBKED-HUUCEWRRSA-N 318.417 1.370 10 10 DDCE CC(C)(C)OC(=O)N1CCNC[C@H]1Cc1ccc(O)c(O)c1 1952057851 ZAZTUMQGCYDVJQ-GFCCVEGCSA-N 308.378 1.849 10 10 DDCE [N-]=[N+]=NCCN1CCO[C@@]2(CCCN(C(=O)C(F)(F)F)C2)C1 1982241227 GIIXHTCSYSVDRQ-NSHDSACASA-N 321.303 1.552 10 10 DDCE CO[C@@H]1CN(C)C[C@@H]1NCc1cccc(Br)c1O 2034334073 KNLUOXGANDPFDB-NWDGAFQWSA-N 315.211 1.573 10 10 DDCE CCN(CC)S(=O)(=O)CCOCCc1ccc(N)cc1 2176289585 FQGYGQNTRUTPKB-UHFFFAOYSA-N 300.424 1.500 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)cc1Cl 2177382265 YGKHBKWCFYASKR-ISVAXAHUSA-N 318.801 1.561 10 10 DDCE CS(=O)(=O)[C@H]1CSCCN1c1ccc2c(c1)CC[C@@H]2O 2184739725 KTJGOKITJUASFT-KBPBESRZSA-N 313.444 1.590 10 10 DDCE CCN(CCS(C)(=O)=O)c1c(F)cc([C@@H](C)O)cc1F 2194522006 ZEMKXACNLOPXND-SECBINFHSA-N 307.362 1.889 10 10 DDCE Nc1ccc(OCCC(=O)N[C@H]2CCCC3(C2)OCCO3)cc1 2191661949 NZPRFOVNBJAEPT-AWEZNQCLSA-N 320.389 1.840 10 10 DDCE NCc1ccc(N2CCC[C@@H]2[C@@H](O)CO)c(Br)c1 2059280808 SGLNETCSYCXAPD-OLZOCXBDSA-N 315.211 1.230 10 10 DDCE COC(=O)CC1(C(=O)NCc2cnc(SC)s2)CC1 2269096253 RTCFENCEYRZJFN-UHFFFAOYSA-N 300.405 1.825 10 10 DDCE COC(=O)N[C@@H](C)CNCc1cc(Cl)cc(OC)c1O 2290403167 INRRROZHPAKBRE-QMMMGPOBSA-N 302.758 1.888 10 10 DDCE O=C(O)CN1C(=O)C(=Cc2ccc(O)cc2O)SC1=S 2293391575 RDEJURVVMMYJNW-UHFFFAOYSA-N 311.340 1.384 10 10 DDCE O=C([C@@H]1CCCN(Cc2cc(F)ccc2O)C1)N1CCOCC1 179903195 ATTMOQJDOWYOAI-CYBMUJFWSA-N 322.380 1.602 10 10 DDCE COC(=O)/C=C/c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1 29070137 BSRLDADPKTWTQS-HWKANZROSA-N 306.318 1.742 10 10 DDCE COc1ccc(N(C)CCC(=O)N(C)CCC(N)=S)cc1 49969833 QQNXAHOJJGZTBC-UHFFFAOYSA-N 309.435 1.656 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@H]3CS(=O)(=O)[C@@H]3C2)c(Cl)c1 2361609959 TXYAVKLHOAFQEH-OLUVUFQESA-N 314.838 1.854 10 10 DDCE C[C@@H](N)c1ccc(N2CCOC[C@@H]2CO)cc1Br 235218567 BFMQXFHIFLLWTK-KOLCDFICSA-N 315.211 1.666 10 10 DDCE COC[C@@H](C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 193897994 BXKLQCZNPWUZEC-CQSZACIVSA-N 307.438 1.678 10 10 DDCE COc1cc(Cl)c(N2CCC[C@@H]2[C@H](O)CO)c(OC)c1 2368279825 DEBGXMUIEKFSME-VXGBXAGGSA-N 301.770 1.679 10 10 DDCE O=C1C[C@@]2(CCN(Cc3ccc(N4CCOCC4)cc3)C2)CN1 366020883 FPVUEPPKWQGTAR-SFHVURJKSA-N 315.417 1.235 10 10 DDCE Cc1ccc(C(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)c(O)c1O 280459321 IMEXWKSYPOPMTE-QGZVFWFLSA-N 321.373 1.816 10 10 DDCE O=C(NCc1cc(Br)ccc1O)[C@@H]1CCOC1 804738447 QGCYUOLZJDPJNW-MRVPVSSYSA-N 300.152 1.807 10 10 DDCE CC(C)(CNCc1cc2c(cc1O)OCO2)[C@@]1(O)CCOC1 842759454 WRNQEIUVNJFWPS-MRXNPFEDSA-N 309.362 1.388 10 10 DDCE CC(=O)C(=O)COC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]2CC[C@H]1C2 849955766 AXDBFLYQOSZIBJ-PRXAMGSTSA-N 324.373 1.836 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CCC(F)(C3CC3)CC2)cc1 927874030 ZLHBSNDUJAAUQH-UHFFFAOYSA-N 305.353 1.948 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)/C=C/c3cnccn3)C2)cc1 855233386 XZPRFKLDITZZHW-MCFICARUSA-N 324.384 1.894 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](O)C3CC3)C2)cc1 854301045 GWUPTMVYLOJULM-CZUORRHYSA-N 319.405 1.344 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H](O)[C@H]3C)C2)cc1 854298293 ZTKKLAQDBGTPCW-DVOMOZLQSA-N 319.405 1.439 10 10 DDCE CO[C@@H](C(=O)NC[C@H](N)c1ccc(N(C)C)cc1)C1CCC1 852792677 ZGACKTKCGSMQBS-JKSUJKDBSA-N 305.422 1.684 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NCCOCCNC 861677997 ZRWCYNBLCSDAIH-UHFFFAOYSA-N 309.410 1.550 10 10 DDCE CCN(CC)c1ccc(CN2CCO[C@@H](CC(N)=O)C2)cc1 862535588 SJCGIJVAZYWXLL-INIZCTEOSA-N 305.422 1.609 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CCCC[C@H]2CC(N)=O)c1O 774865910 ZMAPPXTYQFQFEW-NSHDSACASA-N 323.349 1.539 10 10 DDCE COC(=O)C(C)(C)N1CCN(Cc2ccc(N(C)C)cc2)CC1 779190077 AVZQVTYVTOYGDT-UHFFFAOYSA-N 319.449 1.822 10 10 DDCE COC(=O)c1cc(O)ccc1NS(=O)(=O)N1CCC[C@@H]1C 775287131 KAQIRUOPYUNERQ-VIFPVBQESA-N 314.363 1.320 10 10 DDCE CC(C)N(CCOCCO)C(=O)c1ccc(N=NC(N)=O)cc1 1140372874 WCVJZHJSHCZPFS-UHFFFAOYSA-N 322.365 1.709 10 10 DDCE O=C(NCc1cccc(O)c1O)c1cnc2sccn2c1=O 1455320100 VBVPEBHZEQUDTP-UHFFFAOYSA-N 317.326 1.097 10 10 DDCE COc1c(F)cc(C(=O)NCc2cc(O)ccc2O)c(N)c1F 1455354320 MDQPZNROVXCOJE-UHFFFAOYSA-N 324.283 1.897 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCN2CC(F)(F)C[C@H]2C1 1557197529 ADIJDFFWOWLUOL-NSHDSACASA-N 312.316 1.192 10 10 DDCE CC(C)Cn1[nH]c(CC(=O)NCc2ccc(O)cc2O)cc1=O 1643104048 LURLDCFVAWLXLA-UHFFFAOYSA-N 319.361 1.103 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)N(C)c2nccnc2C)c1 1583716129 QPWXKEQBQQTRSK-SNAWJCMRSA-N 311.345 1.216 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H]2CCN3CCC[C@@H]3C2)cc1 157353712 YSMYUAIPBGRZBJ-HUUCEWRRSA-N 309.435 1.315 10 10 DDCE Cc1ccc(C[C@H](NC(=O)Cc2ccc(N)cc2)C(=O)O)cc1 1865955326 MZLMFTBHKJBWRU-INIZCTEOSA-N 312.369 1.932 10 10 DDCE O=C1c2ccccc2C(=O)N1C[C@H](O)CSc1nccs1 1923787620 FZUQWEJXASTLOA-VIFPVBQESA-N 320.395 1.892 10 10 DDCE CN1CC[C@H](CNCc2cccc(Br)c2O)C1=O 1967744548 ZQGVILRPDGBZCS-SNVBAGLBSA-N 313.195 1.723 10 10 DDCE CO[C@H]1CN(C)C[C@@H]1Nc1c(N)cccc1Br 1946429939 IVKOGNYCXXCAFF-QWRGUYRKSA-N 300.200 1.772 10 10 DDCE COc1cc(Br)cc([C@@H]2[C@@H](N)CCN2C)c1O 1952653025 KXBKSJLUZZWHQB-GXSJLCMTSA-N 301.184 1.867 10 10 DDCE Oc1cc(Br)ccc1CN[C@@H]1C[C@H](O)C[C@@H]1O 2000830541 QYWFIQQKEADMPL-UMNHJUIQSA-N 302.168 1.129 10 10 DDCE NCc1cc(F)c(N2CC(N3CCC3)C2)cc1Br 2034792799 ALCIZYXYPVJFJD-UHFFFAOYSA-N 314.202 1.941 10 10 DDCE COc1cc(Cl)cc(CN2CC[C@H](CO)[C@@H](N)C2)c1O 2178869786 GQNXNXRPSANKRV-SKDRFNHKSA-N 300.786 1.196 10 10 DDCE CS(=O)(=O)C[C@H]1CCCN1c1cc(Cl)c(CN)cc1F 2177386293 ZDESHEPMSNKZDD-SNVBAGLBSA-N 320.817 1.951 10 10 DDCE C[C@@H](O)c1ccc(N2CC(NC(N)=O)C2)cc1Br 2044811573 AKNCFVSGROLJGR-SSDOTTSWSA-N 314.183 1.359 10 10 DDCE O=C(NCc1conc1Br)c1ccc(O)c(O)c1 2222869021 XTKPHVJTGSKKHN-UHFFFAOYSA-N 313.107 1.778 10 10 DDCE CO[C@@H]1CN(c2ccc(CN)cc2Cl)[C@@H](CO)[C@H]1OC 2233359699 ZTUNWYJFTLHSFI-BFHYXJOUSA-N 300.786 1.010 10 10 DDCE O=S(=O)(CCNCc1ccc(F)c(F)c1O)C(F)F 2224295220 XWBBKIOPHIRJFA-UHFFFAOYSA-N 301.261 1.397 10 10 DDCE CS(=O)(=O)C1(C[S@@](=O)CCCc2ccc(N)cc2)CC1 2237864874 IEVBITHNSFCWER-IBGZPJMESA-N 315.460 1.527 10 10 DDCE CO[C@H](C)CS(=O)(=O)CCC(=O)Nc1ccc(N)cc1 2283826846 SQGBIMYSKYAXEP-SNVBAGLBSA-N 300.380 1.047 10 10 DDCE COc1cc(OC)c(N2C[C@@H](O)C[C@H](OC)C2)cc1Cl 2285876221 XIEJTQNMLLIPQG-UWVGGRQHSA-N 301.770 1.943 10 10 DDCE C[C@@H](O)CN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S 2323701737 OLRHBYKFPLHSQS-MRVPVSSYSA-N 323.395 1.997 10 10 DDCE Cc1ccc(CNC2COCCOC2)c(O)c1Br 2327798209 DNLUDFXYBBWFRW-UHFFFAOYSA-N 316.195 1.968 10 10 DDCE C[C@@H](O)c1ccc(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(Cl)c1 2336344405 CZEWDECQSGCIKN-ZDSQKVDBSA-N 301.795 1.627 10 10 DDCE COc1cccc(CNC(=O)Nc2ccc(=O)n(C)c2)c1O 170791846 YANXNRKKLVUASK-UHFFFAOYSA-N 303.318 1.421 10 10 DDCE Cc1ccc(NS(=O)(=O)CCOc2ccc(N)cc2)nc1 70490537 BYPTUDZTWALGDD-UHFFFAOYSA-N 307.375 1.793 10 10 DDCE Nc1ccc(CS(=O)(=O)N(C[C@H]2CCOC2)C2CC2)cc1 40337589 NMWDUHDEVIUFCQ-CYBMUJFWSA-N 310.419 1.600 10 10 DDCE O=S1(=O)CCC[C@](O)(CNCc2cc(Cl)ccc2O)C1 2368426846 SBEWSZJBEYVQDK-ZDUSSCGKSA-N 319.810 1.075 10 10 DDCE COCCNCc1ccc(N(C)CCS(C)(=O)=O)c(F)c1 94299203 IDSXAHCCHJUGCV-UHFFFAOYSA-N 318.414 1.043 10 10 DDCE CN[C@@H](CO)c1cc(C)cc(I)c1O 238358751 AOBCTBXPOPQCQO-VIFPVBQESA-N 307.131 1.558 10 10 DDCE CO[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 363670161 GPEVVXPPZRIHLL-SNVBAGLBSA-N 321.333 1.931 10 10 DDCE COc1ccc(N2CCCN(S(=O)(=O)CC3CC3)CC2)cc1 370027925 RVYZKZYDUBBXNH-UHFFFAOYSA-N 324.446 1.947 10 10 DDCE CCOC(=O)[C@@H]1CC[C@H](NC(=O)NCc2ccccc2O)C1 281513266 KGARPRADBOBVKT-YPMHNXCESA-N 306.362 1.923 10 10 DDCE O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cccc(O)c1O 283611096 LXWAPAKSQNXBSL-XHDPSFHLSA-N 321.373 1.395 10 10 DDCE CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)/C=C\c1ccc(O)c(O)c1 803564837 DHXFAUQRWDDHFX-YJXTXKHHSA-N 323.389 1.385 10 10 DDCE C[S@](=O)CC1CN(c2cc3c(cc2Cl)[C@H](O)C(=O)N3)C1 2166654509 VGFYZFSOIDFSIL-YUNKPMOVSA-N 314.794 1.140 10 10 DDCE O=C(NCc1cc(Br)ccc1O)c1ncccn1 804738672 ZHAZZIKXGUJXRO-UHFFFAOYSA-N 308.135 1.875 10 10 DDCE CC(=O)C(=O)COC(=O)c1cc(C)n(-c2cc(C)on2)c1C 808497881 YDDFDGKLOKLAKG-UHFFFAOYSA-N 304.302 1.705 10 10 DDCE C[C@@H](NCC(C)(C)CS(C)(=O)=O)c1cc(O)ccc1O 723879148 LOFSRQKHKSYLMN-SNVBAGLBSA-N 301.408 1.819 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(CC2CC2)nn1 828884988 QAHGRUALCHUOHD-JTQLQIEISA-N 316.361 1.460 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CCF)C(=O)O 909043745 VBGYFRYRFYETGP-CYBMUJFWSA-N 311.357 1.673 10 10 DDCE CCOc1cccc(CN[C@H](C(=O)OC)c2ccnn2C)c1O 843430439 UZOYCXDITGYMFN-AWEZNQCLSA-N 319.361 1.528 10 10 DDCE COc1ccc(N2CCC(NC[C@@H](O)[C@H]3CCCO3)CC2)cc1 858225469 GIDPTXVXQLDVBF-QZTJIDSGSA-N 320.433 1.794 10 10 DDCE COc1ccc(CNC(=O)c2cc(C(C)(C)N)no2)c(O)c1 852889441 DAEILHVDBBLGTQ-UHFFFAOYSA-N 305.334 1.513 10 10 DDCE NC[C@H]1CC(C(=O)NCc2ccc(N3CCCC3)cc2)=NO1 852859958 FXUODOJCNATBBP-CQSZACIVSA-N 302.378 1.007 10 10 DDCE CN(C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccn(C)n1 860923673 AKSHRDTUQNZJSN-GFCCVEGCSA-N 320.393 1.996 10 10 DDCE COC(=O)c1cc(OCC(=O)NCC2CCC2)ccc1N(C)C 865396350 OZSKUWXCQDNRSE-UHFFFAOYSA-N 320.389 1.834 10 10 DDCE CC[C@H]1C[C@@H](C)CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1119006118 HQYYCLWNWUXSOC-YPMHNXCESA-N 302.374 1.881 10 10 DDCE COC(=O)[C@@H]1[C@H]2CN(Cc3cc(OC)c(OC)cc3O)C[C@H]21 793642136 FGHOADNVDZRLKP-HBYGRHMLSA-N 307.346 1.260 10 10 DDCE CN(C)c1ccc(CNC(=O)c2ccn3nccc3n2)cc1F 1142565839 MELBCHHJGPPTDT-UHFFFAOYSA-N 313.336 1.864 10 10 DDCE Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc(O)ccc1O 1303223350 LQDAVRTXWJCONE-UHFFFAOYSA-N 303.274 1.639 10 10 DDCE COc1ccc(CNC[C@H](O)CNC(=O)[C@H]2CC23CC3)cc1C 1320280912 LQGDKQXNSTZEMA-LSDHHAIUSA-N 318.417 1.370 10 10 DDCE O=C(O)[C@H]1C[C@@H]1CNCc1c(O)cccc1Br 715334701 NZFVSFWKSJVCBM-SFYZADRCSA-N 300.152 1.965 10 10 DDCE C[C@@H](NC(=O)C1CC2(C1)CS(=O)(=O)C2)c1ccccc1O 1263884925 GPXKSRNQMNGPKI-SNVBAGLBSA-N 309.387 1.394 10 10 DDCE COCC1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 1346504701 FDDKVWJGWIUDBF-AWEZNQCLSA-N 319.405 1.562 10 10 DDCE CC(=O)NC1(C(=O)NCc2c(O)cccc2O)CCCCC1 1472063742 PIBOBRRLRHXKJH-UHFFFAOYSA-N 306.362 1.553 10 10 DDCE COCC[C@@](C)(O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1618666769 KEVJUTGYBYJAJK-CQSZACIVSA-N 308.338 1.366 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2nonc2C)cc1C 1481322988 UVZOUCVHJQMIFE-UHFFFAOYSA-N 318.377 1.557 10 10 DDCE COc1cc(CNC(C)C)ccc1N1CCN(C(C)=O)CC1 212683662 GBRGDPTWXIQOFP-UHFFFAOYSA-N 305.422 1.862 10 10 DDCE COC(=O)c1ccc(C(=O)NCc2cc(O)ccc2O)s1 1637122384 DSHQZVIEDQBQKR-UHFFFAOYSA-N 307.327 1.876 10 10 DDCE O=C(CNC(=O)Cc1ccccc1)NCc1cccc(O)c1O 1643809294 JLYCTLSEFKJZJK-UHFFFAOYSA-N 314.341 1.073 10 10 DDCE COc1ccc(CNC/C=C/CNC(=O)c2cnn[nH]2)cc1C 1668905652 RBVKCTRFJLONQB-ONEGZZNKSA-N 315.377 1.198 10 10 DDCE CCNC(=O)CN(C)c1ccc(CNCCOC)cc1Cl 164000289 OPKFXWPUZLVVSC-UHFFFAOYSA-N 313.829 1.648 10 10 DDCE CC1CCC(OC(=O)c2nnn(-c3ccc(N)cc3)n2)CC1 1857878484 DILOMBRSLCKFLM-UHFFFAOYSA-N 301.350 1.980 10 10 DDCE CCOc1cccc(CNCCC(=O)O[C@@H](C)COC)c1O 1857869417 CLNPGXYRGHULAG-LBPRGKRZSA-N 311.378 1.849 10 10 DDCE Cc1ncsc1CN(C)S(=O)(=O)Cc1ccc(N)cc1 111663435 WUQJXLCEXOIPCM-UHFFFAOYSA-N 311.432 1.996 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H](F)[C@H](O)C2)cc1Br 1944301834 QYIHKQYZOUXUJQ-VSYUYLJXSA-N 303.175 1.988 10 10 DDCE NCc1ccc(N2C[C@H](O)[C@@H]3COC[C@@H]32)c(Br)c1 2040601515 WNCPWDKRHIACER-ICCXJUOJSA-N 313.195 1.104 10 10 DDCE CCOC[C@H](O)CNCc1ccc(Br)cc1O 691427848 HXWKZBHTLWDFMN-LLVKDONJSA-N 304.184 1.642 10 10 DDCE NC(=O)[C@@H]1CCC[C@@H]1NCc1cc(Br)ccc1O 2053790042 VAZGLPAQDIVGAN-MNOVXSKESA-N 313.195 1.898 10 10 DDCE COc1cc(N2CCSC[C@H]2S(C)(=O)=O)ccc1CN 2204548238 CNVARGJUIDFCKL-CYBMUJFWSA-N 316.448 1.078 10 10 DDCE Cc1cccc(CNS(=O)(=O)c2csc(CO)c2)c1O 2204620361 BAHWQOJYUTWPDR-UHFFFAOYSA-N 313.400 1.733 10 10 DDCE Cn1nc(Br)c([C@H](O)CCc2ccc(N)cc2)n1 2220246451 PWPRGHNBYCSPLZ-SNVBAGLBSA-N 311.183 1.826 10 10 DDCE CSc1ncc(CN[C@@H]2CCC[C@H]2S(C)(=O)=O)s1 2257106804 OZLIKNZLHVXXRW-NXEZZACHSA-N 306.478 1.920 10 10 DDCE CCCN(CCO)c1ccc(C=CC(=O)OC)cc1[N+](=O)[O-] 2297625204 CYYOVTBUPPUKIS-UHFFFAOYSA-N 308.334 1.990 10 10 DDCE Cc1ccc(CN2CC(=O)N[C@H](C)C2)c(O)c1Br 2327602342 HLHAQJZHVAKVNJ-SECBINFHSA-N 313.195 1.783 10 10 DDCE O=C([C@@H]1CCCN(Cc2ccccc2O)C1)N1CCOCC1 179555380 SORLAHYODBLTCJ-OAHLLOKOSA-N 304.390 1.463 10 10 DDCE COC[C@](C)(CCO)NCc1cc(Cl)cc([N+](=O)[O-])c1O 175848204 RBTFJTQMFOGTRT-ZDUSSCGKSA-N 318.757 1.831 10 10 DDCE COc1ccc(N2CCC(NC(=O)Cn3ccnn3)CC2)cc1 175194508 UKIBYZCSRBPJMZ-UHFFFAOYSA-N 315.377 1.072 10 10 DDCE COC[C@](C)(CCO)NCc1ccc(N2CCOCC2)cc1 304809995 WBEDYEWTBXFHGR-KRWDZBQOSA-N 308.422 1.400 10 10 DDCE COc1cccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)c1O 119825690 CSWUKXHUGXKVBA-OAHLLOKOSA-N 312.369 1.813 10 10 DDCE NC(=O)CN(Cc1ccc(N)cc1)C(=O)NCc1ccccc1 303972206 DPTVLKHKPJAVNM-UHFFFAOYSA-N 312.373 1.466 10 10 DDCE CS(=O)(=O)c1ccc(NCc2cc([N+](=O)[O-])ccc2O)cn1 184849354 VTYHGOJGTNWLTL-UHFFFAOYSA-N 323.330 1.711 10 10 DDCE Cc1cccc(O)c1CN1CC[C@H](S(=O)(=O)C(F)F)C1 2368714586 ORULWPSUFOWLTF-JTQLQIEISA-N 305.346 1.912 10 10 DDCE CN(C[C@H]1Cc2ccccc2CO1)C(=O)c1cc(O)nc(O)c1 238901522 RNSHLTUNGWMITQ-CQSZACIVSA-N 314.341 1.706 10 10 DDCE NC(=O)c1ccc(/C=C\C(=O)NCc2ccc(O)c(O)c2)cc1 255717942 INABSLKDPINQPX-YWEYNIOJSA-N 312.325 1.526 10 10 DDCE C[C@@H]1O[C@H](C)[C@H](N2C(=O)CN(Cc3ccccc3O)C2=O)[C@@H]1C 530209505 JYQSCGOORYNDJQ-AZKPJATDSA-N 318.373 1.968 10 10 DDCE CCNC(=O)N1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 272711049 XWVNDOAQOWXUPG-FUEXJSSKSA-N 319.361 1.031 10 10 DDCE COC(=O)/C=C\c1ccc(N2CCO[C@@H]3C[C@H]32)c([N+](=O)[O-])c1 813618428 NNBRBDUDMHAQQU-BDSSXFGHSA-N 304.302 1.759 10 10 DDCE Cn1ncc(CCC(=O)NCc2c(O)ccc3c2CCCC3)n1 826137548 UBJKYECQABYBAU-UHFFFAOYSA-N 314.389 1.649 10 10 DDCE COC(=O)[C@@H]1COCCN1C/C=C/c1ccc(N(C)C)cc1 835029862 UBEYKQVKKBRTGK-APHBUQMISA-N 304.390 1.640 10 10 DDCE COC(=O)[C@]12C[C@H](N)C[C@H]1CN(Cc1c(O)cccc1Cl)C2 903978408 DQNNVCBMAOYAAI-USBNGQNGSA-N 324.808 1.758 10 10 DDCE COC[C@@H]1CCN(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C1 842785070 LKBNANLHZVVJBC-CJNGLKHVSA-N 320.437 1.430 10 10 DDCE CC[C@@H](N)CNC(=O)NCc1cc(Br)ccc1O 842004581 GMCHAUUVHOBHFP-SNVBAGLBSA-N 316.199 1.691 10 10 DDCE O=S(=O)(CC1CC(F)(F)C1)NCc1c(O)cccc1F 921452709 XHMIFXGUTQROBZ-UHFFFAOYSA-N 309.309 1.996 10 10 DDCE CO[C@](C)(CO)CNC(=O)NCc1ccc(N2CC=CC2)cc1 847324551 SOLMQDFCCZIKBL-KRWDZBQOSA-N 319.405 1.259 10 10 DDCE O=C(c1cc(O)cs1)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 854888479 NDQWZEAJBUWSJB-ONGXEEELSA-N 301.389 1.245 10 10 DDCE CCn1ncc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 855226686 PVWMGCYZPDFISI-GFCCVEGCSA-N 315.377 1.315 10 10 DDCE Cc1cc(C)c([C@@H](C)NC[C@@]2(OCCO)CCOC2)c(O)c1 850507046 HURCKGXNDAEAHM-PBHICJAKSA-N 309.406 1.828 10 10 DDCE COCCN(CCF)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 697295598 SFXLKDKBLMRKGX-GFCCVEGCSA-N 301.749 1.714 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)c(O)c1O 856236736 AJCNYLBIMNUJSH-GFCCVEGCSA-N 320.389 1.783 10 10 DDCE CCc1cccc(CNC[C@@]23COCCN2C(=O)OC3)c1O 864054604 WNRQQFOOLFLLLM-INIZCTEOSA-N 306.362 1.265 10 10 DDCE CN(C)c1ccc(CNC(=O)CN[C@]23CCC[C@H]2OCC3)cc1 872314916 REIXJUOWSLOTRW-AEFFLSMTSA-N 317.433 1.670 10 10 DDCE O=C(NCCCNC(=O)c1cccc(O)c1O)c1ccccc1 785430796 LKQYLTPRCKURNX-UHFFFAOYSA-N 314.341 1.648 10 10 DDCE CCOC(=O)c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cn1 1137427154 QZDSUBGTTNXJSW-UHFFFAOYSA-N 316.313 1.851 10 10 DDCE COCCS(=O)(=O)NCc1cc(Br)ccc1O 796190417 HMVOZTOTIAEGNU-UHFFFAOYSA-N 324.196 1.221 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCC(OCC(N)=O)CC2)cc1 1326636312 FRUUFSXPLVHIDX-ARJAWSKDSA-N 317.433 1.732 10 10 DDCE COc1ccc(CNC[C@H](C)CNC(=O)[C@@H](C)OC)cc1C 1714377427 LRQCCIIHFSOSSY-GXTWGEPZSA-N 308.422 1.880 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C(=O)OC)[nH]1 1556515824 OALRMNNAXRFBNQ-UHFFFAOYSA-N 323.345 1.923 10 10 DDCE Cc1cccc(NCCNC(=O)c2c(F)ccc(O)c2O)n1 1559037714 ITRGBBWQAVXOKX-UHFFFAOYSA-N 305.309 1.782 10 10 DDCE CCOC(=O)N[C@H](C(=O)NCc1cccc(O)c1O)C(C)C 1637035293 QJSKRDBCXZEWSW-LBPRGKRZSA-N 310.350 1.485 10 10 DDCE CCOC(=O)[C@H](F)C1CN(C(=O)c2c(F)ccc(O)c2O)C1 1648822343 CVWKYYHIKAXCFK-LLVKDONJSA-N 315.272 1.210 10 10 DDCE CS(=O)(=O)c1sccc1[C@H](NCCN=[N+]=[N-])C(=O)O 1912166339 WAXNZAWAUZMGJS-ZETCQYMHSA-N 304.353 1.177 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)Cc2cnc[nH]2)cc1C 1699419893 CIJQDKWFTGWXGP-ZDUSSCGKSA-N 316.405 1.564 10 10 DDCE C[C@H](O)C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C 1866098090 AZKUEKUNKSEWPC-SMDDNHRTSA-N 302.378 1.073 10 10 DDCE Cc1c(OCCOc2ccc(N)cc2)c(=O)ccn1CCCO 1857910835 CZFRHGQTRDIHQY-UHFFFAOYSA-N 318.373 1.579 10 10 DDCE CC(=O)C(=O)[C@@](C)(O)c1ccc(I)cc1 1929123847 GYJWZTZBVGFCLX-NSHDSACASA-N 318.110 1.657 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCc2cncs2)cc1 127922834 GJTMYUZSFWMHEJ-UHFFFAOYSA-N 313.404 1.224 10 10 DDCE O=S1(=O)C[C@H](c2cc(Cl)cc(Cl)c2O)NCCN1 1952469893 RGLDMTLZXWZJHC-SECBINFHSA-N 311.190 1.263 10 10 DDCE CN(CCN=[N+]=[N-])C(=O)c1cn(C)[nH]c1=NC(=O)OC(C)(C)C 1985096218 OIQQOMIWBDGOMQ-UHFFFAOYSA-N 323.357 1.571 10 10 DDCE C[C@@H](C(=O)N1CC(N=[N+]=[N-])C1)N1CC(NC(=O)OC(C)(C)C)C1 1987822045 REUGGYSAFLAVDY-VIFPVBQESA-N 324.385 1.105 10 10 DDCE C[C@H]1[C@H](CN(C)S(=O)(=O)Cc2ccc(N)cc2)C1(F)F 2153631124 AMAXFJLFFYLCNU-CABZTGNLSA-N 304.362 1.932 10 10 DDCE CC(C)CNCc1cnc(Sc2nc(N)cc(=N)[nH]2)s1 2155326216 HNJQIWBYHNTYFT-UHFFFAOYSA-N 310.452 1.825 10 10 DDCE CN1CCN(c2ccc(CN)cc2Br)C[C@@H]1CO 687609488 AWVJDEAMGJSQAQ-LLVKDONJSA-N 314.227 1.021 10 10 DDCE CCOC(=O)[C@H](NCCCN=[N+]=[N-])c1ncc(Cl)n1C 383515196 GIGHWGSBPRPSTG-SECBINFHSA-N 300.750 1.968 10 10 DDCE NCc1cc(F)c(N2C[C@H](F)[C@@H](CO)C2)cc1Br 2057002884 QSANRGRVHIGSAN-KCJUWKMLSA-N 321.165 1.814 10 10 DDCE C[C@]1(O)CCN(c2ccc(CO)cc2Br)C[C@H]1O 2077302112 KFRTWJRUEVCENL-OLZOCXBDSA-N 316.195 1.263 10 10 DDCE COc1ccc(S(=O)(=O)Nc2ccc(O)cc2N)s1 2097154407 AAKKXGMIFMTMOM-UHFFFAOYSA-N 300.361 1.845 10 10 DDCE CN1C(=O)C(=Cc2cccn2-c2ccccc2)C(=O)NC1=S 2293462090 XVZLLUIBPNPJJW-UHFFFAOYSA-N 311.366 1.734 10 10 DDCE C[C@H](N)CCNC(=O)C=Cc1ccc(N2CCOCC2)cc1 2301651103 NRQQPASPWHQWRU-AWEZNQCLSA-N 303.406 1.390 10 10 DDCE Cc1ccc(CNC(C)(CO)CO)c(O)c1Br 2307569361 IOUHODXLYWFZMU-UHFFFAOYSA-N 304.184 1.296 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCNC[C@H]2C)s1 2346911308 RCFPSKWBPSORTI-PELKAZGASA-N 301.437 1.407 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC[C@@H]1O 302408031 HGLMNCWRYKXHCP-PELKAZGASA-N 307.306 1.133 10 10 DDCE COC(=O)[C@H](C)CN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 320794231 UKQFIWVUYQUOOS-MRVPVSSYSA-N 323.305 1.171 10 10 DDCE O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H](CCO)C3)cc2N1 320641983 ICXARWNOHUEPHQ-JTQLQIEISA-N 321.333 1.525 10 10 DDCE CC(C)NS(=O)(=O)CCNCc1cc(Cl)c(F)cc1O 293507390 BVMIEDWXWAOQKW-UHFFFAOYSA-N 324.805 1.602 10 10 DDCE CC(=O)C(=O)COC(=O)C(C)(C)CNC(=O)OC(C)(C)C 808526147 LIGQUJRUAKAYKP-UHFFFAOYSA-N 301.339 1.239 10 10 DDCE CN(C)c1ccc(OCC(=O)NC2CCN(C3CC3)CC2)cc1 810001834 MUHBDOJGUZHHOG-UHFFFAOYSA-N 317.433 1.874 10 10 DDCE CC(C)(O)[C@H](O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 901175378 KJSGQULXQDFLLB-DZGCQCFKSA-N 323.389 1.032 10 10 DDCE Cc1cc(O)c(CNCC2(C(N)=O)CCOCC2)c(Cl)c1 840875517 HVZJGRMIUKAJQF-UHFFFAOYSA-N 312.797 1.726 10 10 DDCE C[C@]12COC[C@@]1(C)CN(C(=O)/C=C\c1ccc(O)c(O)c1)C2 855543500 ZTAVTIXUUAISKD-NTLBYLRVSA-N 303.358 1.996 10 10 DDCE CC1(C)OCC[C@H]1CN1C(=O)CN(Cc2ccccc2O)C1=O 853088899 KJLRTNICDIXSJA-ZDUSSCGKSA-N 318.373 1.972 10 10 DDCE CO[C@H]1CCn2cc(C(=O)N(C)Cc3ccccc3O)nc2C1 866597544 VXGINRMFEMUJPY-ZDUSSCGKSA-N 315.373 1.822 10 10 DDCE CC(=O)c1cc(F)cc(Cn2cc([C@@H]3CCOC3)nn2)c1O 880995552 ATOMGKPYFGKUTK-SNVBAGLBSA-N 305.309 1.878 10 10 DDCE CS(=O)(=O)c1ccccc1C(=O)N1Cc2cccc(O)c2C1 1152563694 BBDPIPHUMLFNGS-UHFFFAOYSA-N 317.366 1.952 10 10 DDCE Cc1nc(O)nc(S)c1C(=O)N1Cc2cccc(O)c2C1 1175039444 XMKGCWUNKVLVIR-UHFFFAOYSA-N 303.343 1.641 10 10 DDCE CN(CC1CCOCC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329422267 LCNKGMUZOQTFQI-UHFFFAOYSA-N 318.373 1.119 10 10 DDCE Cc1cc(CN)ccc1N1CCSC[C@@H]1S(C)(=O)=O 90921442 FVVTVDXKCUXOOU-ZDUSSCGKSA-N 300.449 1.378 10 10 DDCE CCC[C@H]1C(=O)NCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1447299067 HCHXTMPTUKYCDJ-LBPRGKRZSA-N 317.349 1.590 10 10 DDCE CN1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1C(C)(C)C 1469617442 GVSNKORWUIEMJZ-OAHLLOKOSA-N 306.406 1.829 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCC2(NCCO)CCC2)cc1 1717162642 CIGFHMFPVJMUCX-UHFFFAOYSA-N 319.365 1.083 10 10 DDCE COc1ccc(CNC(=O)c2ccc(Cl)nc2N)c(O)c1 1635041833 DGEUXJNMPTWKCZ-UHFFFAOYSA-N 307.737 1.961 10 10 DDCE CNc1c(C(=O)NCc2cccc(O)c2O)cccc1[N+](=O)[O-] 1643813179 YKIIPXYZUSMLSK-UHFFFAOYSA-N 317.301 1.978 10 10 DDCE COc1cc(CN2CCO[C@H](Cn3cccn3)C2)c(O)cc1C 160261374 LQDOOBGPHQXYDY-HNNXBMFYSA-N 317.389 1.807 10 10 DDCE CN(C)c1ccc([C@H](NC(=O)c2cc[nH]n2)c2nccn2C)cc1 1866196252 NLNVDQSQUBGUCP-HNNXBMFYSA-N 324.388 1.729 10 10 DDCE C[C@H]1C[C@@H](C)CN(C(=O)c2nnn(-c3ccc(N)cc3)n2)C1 1857879177 XIZIIASRXIFTIO-PHIMTYICSA-N 300.366 1.363 10 10 DDCE CCC[C@@H](CCO)CNS(=O)(=O)Cc1ccc(N)cc1 227399509 XCHGMVHDXBYJFU-LBPRGKRZSA-N 300.424 1.487 10 10 DDCE Cc1cc(O)ccc1NS(=O)(=O)c1c(Cl)cnn1C 227967761 HVZTUYFDPUATTE-UHFFFAOYSA-N 301.755 1.888 10 10 DDCE CCOC[C@H](NS(=O)(=O)Cc1ccc(N)cc1)C(C)C 233783869 DSHPFUIGCONFBS-AWEZNQCLSA-N 300.424 1.749 10 10 DDCE CN(c1ccc(CN)cc1Cl)[C@H]1CCN(S(C)(=O)=O)C1 312886775 WBKFPEOXCNKPMQ-NSHDSACASA-N 317.842 1.269 10 10 DDCE NCc1cc(F)c(N2CC(CC(N)=O)C2)cc1Br 382189196 NFIRVGSNFFRMAD-UHFFFAOYSA-N 316.174 1.359 10 10 DDCE C[C@@H]1NC(=O)CC[C@H]1NCc1cccc(Br)c1O 392952778 LTMBYICWOXHPHH-GZMMTYOYSA-N 313.195 1.911 10 10 DDCE NCc1ccc(N2CCOC[C@H](O)C2)c(F)c1Br 399948746 UFLIVTOMQANLFE-SECBINFHSA-N 319.174 1.244 10 10 DDCE CCN(Cc1cnn(C)c1)C(=O)c1cnn2c(O)cc(C)nc12 2064014150 CJKYPMUPKAJOHP-UHFFFAOYSA-N 314.349 1.139 10 10 DDCE O=C(O)c1cc(NS(=O)(=O)[C@@H]2CCC[C@H]2F)ccc1O 2175558777 GHVVVUMDCMADJD-MWLCHTKSSA-N 303.311 1.723 10 10 DDCE CCOC(=O)c1cnn([C@H](C)c2cc(OC)ccc2O)c1N 2070317516 AQPWBUCKRBGCLV-SECBINFHSA-N 305.334 1.966 10 10 DDCE COc1cc(Cl)cc(CN[C@@H]2COC(C)(C)[C@@H]2O)c1O 2199468454 WWLJCEDEABNUQI-ZWNOBZJWSA-N 301.770 1.682 10 10 DDCE NCc1ccc(N2C[C@@H]3C[C@H](CO)[C@@H]3C2)c(Br)c1 2053978720 BTHSTSSGAGADFJ-QJPTWQEYSA-N 311.223 1.972 10 10 DDCE C[C@H]1CCS[C@@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2094458884 XBTUFPHFCZOJER-GXFFZTMASA-N 300.449 1.830 10 10 DDCE C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1COc1nnc(=N)[nH]n1 2210646518 KFDWEAOWFNDIAF-ZJUUUORDSA-N 324.385 1.094 10 10 DDCE CSc1ncc(CNC(=O)CC2(N)CCOCC2)s1 2269200052 LJEGEYSQIPCXCV-UHFFFAOYSA-N 301.437 1.379 10 10 DDCE CC[C@H](C)NCc1cnc(SC2=NC(=O)CC(=O)N2)s1 2240294766 CCRXILOTSXOQDE-ZETCQYMHSA-N 312.420 1.526 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2c[nH]nc2C)s1 2257093231 KVJUKEHGWJEVBW-UHFFFAOYSA-N 304.422 1.375 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2[C@H](C(=O)O)C2(C)C)s1 2284509776 XRYJJPICZANXCQ-HTQZYQBOSA-N 315.420 1.773 10 10 DDCE COc1cc(Cl)cc(CN(C)CCC(=O)N(C)C)c1O 1233289973 ADBIVTUPXTZBNU-UHFFFAOYSA-N 300.786 1.964 10 10 DDCE CN1CCc2cc(CNCCN3CCOC(C)(C)C3)ccc21 178919308 UAMNQDMPPDDPNS-UHFFFAOYSA-N 303.450 1.879 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@@H](Cn3cncn3)C2)c(O)c1O 182481596 XXNLETFIUDDHPY-GFCCVEGCSA-N 316.361 1.550 10 10 DDCE CN(c1cccnc1)S(=O)(=O)CCOc1ccc(N)cc1 70490928 RAQFSPYAKRRIBP-UHFFFAOYSA-N 307.375 1.509 10 10 DDCE CN(C)c1noc(CNCc2ccc(N3CCOCC3)cc2)n1 191901280 SSLLGEGUVRQJLH-UHFFFAOYSA-N 317.393 1.262 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2COC3(CN)CC2C3)s1 2368669773 BSMQTUWMJSIHEA-MDGUTJNFSA-N 313.448 1.235 10 10 DDCE COC(=O)[C@H](N)c1cccc(I)c1O 95769575 JOECWGNMTDAXCJ-SSDOTTSWSA-N 307.087 1.170 10 10 DDCE C[C@@H](O)CN(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 255606855 HKLQCSCRGLOEFH-BMWLXYDHSA-N 304.390 1.376 10 10 DDCE CCOC(=O)C1(O)CCN(Cc2cccc(OC)c2O)CC1 271206600 SENKOTINRROPJD-UHFFFAOYSA-N 309.362 1.291 10 10 DDCE O=c1cc(/C=C/c2ccc(N3CCOCC3)cc2)nc2nc[nH]n12 806571386 UMRSWLUSZUDMAN-DAFODLJHSA-N 323.356 1.425 10 10 DDCE COc1ccc(N2CCN(C(=O)C3CC(C)(O)C3)CC2)cc1F 826778161 SKGGQKZEJVYIRF-UHFFFAOYSA-N 322.380 1.644 10 10 DDCE C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)c2ncnn21 820000711 LNYXSTNZOFWIPN-JQWIXIFHSA-N 301.350 1.831 10 10 DDCE COc1ccc(N2CCN(C(=O)/C=C\c3ccncn3)CC2)cc1 588435470 QBAYJVPFWZHOEN-UQCOIBPSSA-N 324.384 1.847 10 10 DDCE COC1(CS(=O)(=O)Nc2ccc(O)cc2)CCOCC1 844643265 ILKZBPJWJLSCEY-UHFFFAOYSA-N 301.364 1.330 10 10 DDCE Cn1cnnc1N1CCN(Cc2c(O)ccc3ccccc23)CC1 848496626 CVQCTKPUEPCBHD-UHFFFAOYSA-N 323.400 1.996 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)OC)C2)cc1 852450920 ZLJXTHDBZHIJIV-STQMWFEESA-N 307.394 1.608 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cnn(C)c3N)C2)cc1 855225510 JWUSPOWNBCFKBN-NSHDSACASA-N 315.377 1.020 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)cc1 855224054 DVFZUYPSHVPNKV-CABCVRRESA-N 317.433 1.732 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccnn1 858201559 PVBZWFXVSGHCCW-UHFFFAOYSA-N 312.373 1.585 10 10 DDCE CN(C)c1ccc([C@@](C)(NC(=O)OC(C)(C)C)C(N)=O)cc1 698402299 ZLDRVLRAIJLQNY-MRXNPFEDSA-N 307.394 1.978 10 10 DDCE Cc1cc(C(=O)N[C@H]2COCCC2=O)c(C)n1-c1ccccn1 862931185 DTCNYUOWECSCTN-AWEZNQCLSA-N 313.357 1.577 10 10 DDCE NC(=O)C[C@H]1CN(Cc2ccc3ccccc3c2O)CCO1 862534517 DKEYWWVSRJVDPU-AWEZNQCLSA-N 300.358 1.622 10 10 DDCE Nc1ccc(OCCC(=O)N[C@H]2CCCC23OCCO3)cc1 1876438641 ZBAVTVWEIAMVMD-AWEZNQCLSA-N 306.362 1.450 10 10 DDCE c1cc(N2CCOCC2)ccc1CNc1n[nH]c2c1COCC2 886209291 JSBSQUBTUVHCKE-UHFFFAOYSA-N 314.389 1.931 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(CO)cc1 1154024321 ANUKCEGCDNTKEJ-NSHDSACASA-N 301.342 1.951 10 10 DDCE COc1cccc(CNC(=O)[C@H](NC(N)=O)C(C)(C)C)c1O 1150543597 QOIYGKYSJROJHB-LBPRGKRZSA-N 309.366 1.100 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNC(=O)Cc1ccc(N)cc1 1894960792 BZCYVUBRGSIBQX-GXTWGEPZSA-N 319.405 1.841 10 10 DDCE CNCc1cc(F)c(N2CCSC[C@@H]2CCO)c(F)c1 689670713 BGYZGKIPTFVZLM-NSHDSACASA-N 302.390 1.988 10 10 DDCE O=C(O)c1coc(S(=O)(=O)Nc2ccc(O)c(F)c2)c1 694152192 SHLRVWUDGGHJOG-UHFFFAOYSA-N 301.251 1.623 10 10 DDCE CC1(C)CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)CC1 1351834811 IJMCZCCDLJLJIV-UHFFFAOYSA-N 302.374 1.883 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)C[C@H]2CCC(=O)NC2)c1 1465993140 OGFIFGLGZUOWGB-GHMZBOCLSA-N 306.362 1.494 10 10 DDCE COc1cc(N2CCN3C(=O)CC[C@@H]3C2)c([N+](=O)[O-])cc1OC 1472732522 OPMGBUKCHPSKHS-SNVBAGLBSA-N 321.333 1.423 10 10 DDCE Cc1ccnc2nc(C(=O)NCc3cc(Cl)ccc3O)nn12 1639965252 IHDQZZLMJGPTRN-UHFFFAOYSA-N 317.736 1.722 10 10 DDCE C[C@H](NC(=O)CCC[C@]1(C)NC(=O)NC1=O)c1ccccc1O 1648891955 JQZOPFRLSXNPCX-QFYYESIMSA-N 319.361 1.338 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cnc3sccn3c2=O)c1 1645800470 GADLOQMDLSAWOA-UHFFFAOYSA-N 315.354 1.700 10 10 DDCE COc1cc(NCCCNC(=O)c2cccc(O)c2O)ncn1 1570580597 NHFRQWAUGCGUJS-UHFFFAOYSA-N 318.333 1.128 10 10 DDCE C[C@@H](N)c1ccc(N2CC(CO)(CO)C2)c(Br)c1 1914967626 AGIQAAVMEATHJE-SECBINFHSA-N 315.211 1.260 10 10 DDCE C[C@H]1C[C@H](NCc2cc(F)cc(F)c2O)CCS1(=O)=O 2143955722 KAAIYKXIBAKDIG-GZMMTYOYSA-N 305.346 1.726 10 10 DDCE CC[C@@H](C)S(=O)(=O)Nc1ccc(NS(=O)(=O)CC)cc1 2144155412 JXKJTFAZYKDRNJ-SNVBAGLBSA-N 320.436 1.988 10 10 DDCE O=S1(=O)CCC[C@@H]2CN(c3ccc(CO)cc3Cl)C[C@@H]21 2145044906 DHOMPRNHTAIFRY-RISCZKNCSA-N 315.822 1.846 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CCSC[C@@H]3CO)c(Cl)cc21 388138715 OWDBIBYKAOMMQI-MADCSZMMSA-N 313.810 1.206 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@H]3CCCn4nccc43)c2n1 2064882044 TXKJPDDIDMMHPV-NSHDSACASA-N 312.333 1.205 10 10 DDCE C[C@@H](O)c1ccc(N2CCS(=O)(=O)C(C)(C)C2)c(F)c1 2170324655 UGIFXTAUYQSICX-SNVBAGLBSA-N 301.383 1.892 10 10 DDCE O=C1N[C@H]2CN(Cc3c(O)cccc3Br)C[C@H]2O1 2056807452 ICICOMWTCXFQAS-GXSJLCMTSA-N 313.151 1.447 10 10 DDCE CO[C@H]1COC[C@@H]1N(C)c1ccc(CN)c(Br)c1 2057140255 AQMQDLKZLFSRQL-STQMWFEESA-N 315.211 1.758 10 10 DDCE Cc1c([C@H](NN)c2ccccc2O)c(Br)nn1C 2067829234 BDMGZJZFFCAJCD-LLVKDONJSA-N 311.183 1.749 10 10 DDCE CP1(=O)CCN(CCNCc2cc(F)ccc2O)CC1 2199621097 BOIIZZKFEKRUTK-UHFFFAOYSA-N 300.314 1.929 10 10 DDCE NCc1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(Br)c1 2081455831 LGAATKOUXIUDFA-GDGBQDQQSA-N 310.195 1.075 10 10 DDCE CCCN(c1ccc(CN)c(F)c1)[C@@H]1CCS(=O)(=O)C1 2201909547 WPIWEUMLGDRXML-CYBMUJFWSA-N 300.399 1.688 10 10 DDCE Cc1ccc(CN(C)C(=O)CCN)c(O)c1Br 2307474327 VIXRAQVTEATIRV-UHFFFAOYSA-N 301.184 1.770 10 10 DDCE Cn1cnc(Br)c1C(=O)N1CC[C@@H](CN=[N+]=[N-])C1 2315662534 DSCDHIDOVOPVFK-ZETCQYMHSA-N 313.159 1.955 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)cc1Cl 2336559044 PHJYBDDLSGMCGT-KKFJDGPESA-N 300.811 1.593 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@@H]([S@@](=O)Cc2ccc(N)cc2)C1 2342096007 ZEKBACMHPMLEMI-VFVRVIDISA-N 301.433 1.483 10 10 DDCE COC[C@](NCc1cnc(SC)s1)(C(=O)O)C1CC1 2350653396 TZDSYKUZMZPYNE-GFCCVEGCSA-N 302.421 1.834 10 10 DDCE Oc1cc2c(cc1CN1CCN(CC(F)F)CC1)OCO2 52085950 MJGHJGHAHYLTBR-UHFFFAOYSA-N 300.305 1.504 10 10 DDCE O=C(N[C@H]1CCOC1)c1cccc2c1C(=O)c1ccccc1C2=O 178955503 WXURWNYXZFTZGG-NSHDSACASA-N 321.332 1.981 10 10 DDCE COCC[C@H](C)NC(=O)N1CCN(c2ccc(OC)cc2)CC1 171208246 CCNFDKTZIFLVPR-AWEZNQCLSA-N 321.421 1.952 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(C(=O)O)c(C(C)=O)s1 2365283878 XYDDMIRMOLZTHQ-UHFFFAOYSA-N 321.380 1.042 10 10 DDCE CO[C@@H](CCS(C)(=O)=O)CNCc1c(O)cccc1F 2364084378 SZYWQHCXEITXFX-JTQLQIEISA-N 305.371 1.071 10 10 DDCE COc1cc(Cl)c(N2CCNC[C@]2(C)CO)c(OC)c1 2368090367 DUMYYLSOCJGVSP-CQSZACIVSA-N 300.786 1.518 10 10 DDCE Oc1ccc(I)cc1[C@H]1CNCCN1 95783428 QAMUZPFBQBSKEJ-SECBINFHSA-N 304.131 1.231 10 10 DDCE CCOC(=O)c1nonc1N=Nc1nonc1C(=O)OCC 254503835 GTJRCBMGKBBDPV-UHFFFAOYSA-N 310.226 1.221 10 10 DDCE CC(=O)Nc1ccc(S[C@@H](C)C(=O)OCC(=O)C(C)=O)cc1 808505791 AXEWHLRPZSYOTM-JTQLQIEISA-N 323.370 1.827 10 10 DDCE Cc1cc(Br)c(O)c(CNC2COCCOC2)c1 813788962 DRMRUEZUIJALIF-UHFFFAOYSA-N 316.195 1.968 10 10 DDCE COCc1ccc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)o1 832292180 CDLYXYANRODLSX-HNNXBMFYSA-N 317.389 1.922 10 10 DDCE C[C@@H](NC(=O)COCc1nccn1C)c1ccc(N(C)C)cc1 832431729 SXCVWEWNRRQJEZ-CYBMUJFWSA-N 316.405 1.880 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CCC(Cn2cnnc2)CC1 846661061 MJBDFHCTLNRMAD-UHFFFAOYSA-N 320.324 1.381 10 10 DDCE CNC(=O)CCCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 855227945 SECLSQTZAKEURE-CYBMUJFWSA-N 319.405 1.306 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3c[nH]nc3C)C2)cc1 855233028 VTFASDJTXOXPCT-LBPRGKRZSA-N 300.362 1.735 10 10 DDCE COc1ccc(N2CCC(NCC[C@@H]3CNC(=O)C3)CC2)cc1 922778012 DQSFXUFALBBIQR-AWEZNQCLSA-N 317.433 1.780 10 10 DDCE O=C(NCc1c(O)ccc2c1CCCC2)[C@H](O)c1cnc[nH]1 866771944 ZNDIAAQYKDHDJM-OAHLLOKOSA-N 301.346 1.344 10 10 DDCE COc1ccc(CNS(=O)(=O)C[C@@H]2CCC2(F)F)c(O)c1 867217258 CSBKQZPTJSSYQQ-JTQLQIEISA-N 321.345 1.866 10 10 DDCE CCN1C(=O)/C(=C/c2cn(C[C@@H]3CCOC3)nn2)SC1=S 865213327 WYAFOYHETFBUAI-BVBCSLMJSA-N 324.431 1.536 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCC2(N)CCOCC2)c1 863541522 NUHOAAITKSZMHG-NSHDSACASA-N 308.378 1.337 10 10 DDCE COC(=O)c1c(CNCCOCCO)c2cc(F)ccc2n1C 894146146 NKZDJFUEFSWWFO-UHFFFAOYSA-N 324.352 1.203 10 10 DDCE COC(=O)/C=C/c1ccc(N2CCO[C@@H](OC)C2)c([N+](=O)[O-])c1 784542131 NVEWWLQLDAQIDL-CSPWOOARSA-N 322.317 1.590 10 10 DDCE Oc1c(F)cc(Br)cc1CN1C[C@@H](O)C[C@@H](O)C1 894083828 GSPKNAVXCZAXLN-AOOOYVTPSA-N 320.158 1.221 10 10 DDCE CN(C(=O)c1cccc(O)c1O)[C@H]1CCCc2c1cnn2C 1137661629 TVTKRFYAHGKWOO-LBPRGKRZSA-N 301.346 1.981 10 10 DDCE CCO[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CN(C)C 1303417643 LHWVYDYPDIBXCK-ZDUSSCGKSA-N 321.381 1.546 10 10 DDCE CN(C)c1cc(F)c(CNC[C@@]2(CCO)CCOC2)cc1F 1328690584 WKLOHAURYDSIGU-MRXNPFEDSA-N 314.376 1.910 10 10 DDCE CN(C[C@@H]1CCCS1(=O)=O)c1ccc(CO)cc1Cl 694116230 IRYKZPPWGWHRAA-NSHDSACASA-N 303.811 1.846 10 10 DDCE C[C@@H]1CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H](C)[C@H]1C 1332073652 IJLYACHJOUJSFJ-WOPDTQHZSA-N 302.374 1.737 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(n2ccnn2)CC1 1446506291 ZMLLIPNNWUAVOM-UHFFFAOYSA-N 302.334 1.096 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2ccnc3[nH]nnc23)c1 1294936556 HBTGXHYIHOGOGD-QMMMGPOBSA-N 313.317 1.558 10 10 DDCE COCCNCc1ccc(N(C)CC(=O)O)c(OC(C)C)c1 212143682 DDFFDAWQIDVUST-UHFFFAOYSA-N 310.394 1.731 10 10 DDCE Cc1nnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)o1 1464306384 YOQHNNDSFQEDPB-UHFFFAOYSA-N 305.315 1.934 10 10 DDCE Cn1cc(C(=O)NCc2c(O)cccc2O)c(C(F)(F)F)n1 1635843530 WDOHXQSSNVVLMC-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE COc1nsc(OC)c1[C@H](NCCCN=[N+]=[N-])C(=O)O 1912145161 CTYNELXOEWBLAZ-ZETCQYMHSA-N 301.328 1.576 10 10 DDCE Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(O)CCOC1 1693457773 IXDUDGPVAVORKX-INIZCTEOSA-N 318.377 1.080 10 10 DDCE CNCc1ccc(N2CC(C)(C(N)=O)C2)cc1Br 1914228839 OUOKOGHHKXHDCR-UHFFFAOYSA-N 312.211 1.480 10 10 DDCE CC(=O)C(=O)[C@]1(O)CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1919248969 JBIGDIVRTURZKB-OZVIIMIRSA-N 311.378 1.543 10 10 DDCE C[C@@H](CS(=O)(=O)N(C)C)NCc1ccc(Cl)cc1O 1967713480 OAYKCWJZOHHVJY-VIFPVBQESA-N 306.815 1.415 10 10 DDCE CC[C@H](NC[C@@H](O)C(N)=O)c1cc(Br)ccc1O 228607364 LYNROPSYSKXNCE-GXSJLCMTSA-N 317.183 1.042 10 10 DDCE CN[C@@H](C)c1ccc(N2C[C@H](O)[C@H](O)C2)c(Br)c1 234458416 DZFBXHRCJBSGTQ-AQUOVQTQSA-N 315.211 1.271 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@H]2COCC(=O)N2)c1 1952172639 UPOJMPNYBPHYQT-LLVKDONJSA-N 308.334 1.927 10 10 DDCE CNCc1cc(F)c(N2C[C@H]3C[C@H]2CS3(=O)=O)c(F)c1 321261979 ZEXLYHHIVYNTKM-VHSXEESVSA-N 302.346 1.060 10 10 DDCE OC[C@H](O)[C@H](C=Cc1ccc(O)cc1)c1ccc(O)c(O)c1 2054618183 UWWISKPOVFKUES-PBHICJAKSA-N 302.326 1.954 10 10 DDCE C[C@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCNC2)c2ccccc2O1 2062230072 FKAUGHSBMMTERT-RYUDHWBXSA-N 312.373 1.914 10 10 DDCE CNCc1cnn(Cc2cc(Br)ccc2O)c1O 2070562508 HEOIUQRKKHOQOY-UHFFFAOYSA-N 312.167 1.825 10 10 DDCE CCS(=O)(=O)CCN(C)c1ccc([C@H](C)NC)cc1F 2170441448 QRVKORGYHBKKTF-NSHDSACASA-N 302.415 1.977 10 10 DDCE C[C@@H]1CNC[C@@H]1CS(=O)(=O)Nc1ccc(O)cc1Cl 2087408412 NNRXDRYIKASQFW-RKDXNWHRSA-N 304.799 1.643 10 10 DDCE CC1CC(NCc2ccc(Br)cc2O)(C(N)=O)C1 2223866564 UPLHGWUCWNSJQZ-UHFFFAOYSA-N 313.195 1.898 10 10 DDCE COc1cc(OC)c(N2CC[C@H](O)[C@](C)(O)C2)cc1Cl 2285907736 ZYMKHRSZCWMFQA-UONOGXRCSA-N 301.770 1.679 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CO[C@H]3C[C@@H]2C3)s1 2350653559 VBUVGUXWFVDTMB-SXMVTHIZSA-N 300.405 1.587 10 10 DDCE COC(=O)c1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)o1 1445900742 KUUHXBYEJYAVIE-UHFFFAOYSA-N 305.286 1.716 10 10 DDCE CN[C@@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@@H]2CF)cc1Cl 2358207378 WSZUMXBITBTIID-IOEYQFCTSA-N 302.777 1.500 10 10 DDCE COc1ccc(O)c([C@@H](C)NC[C@@H](O)CN2CCCCC2)c1 185115023 YSZIAOYOEHUFNY-ZIAGYGMSSA-N 308.422 1.898 10 10 DDCE CCS(=O)(=O)N(C)Nc1nc([C@H]2C[C@@H]2C(=O)OC)cs1 2365283118 MBXAMPMJBRNOPS-YUMQZZPRSA-N 319.408 1.028 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)Cc1ccc(N)cc1 40335345 WXGGYBRVSHJPGA-UHFFFAOYSA-N 306.387 1.936 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(O)c(O)c2O)C1 226754016 FDUCYPZRFOCRCJ-LLVKDONJSA-N 324.377 1.902 10 10 DDCE Cc1cc2c(n1-c1ccc(S(N)(=O)=O)cc1)CCCC2=O 41705407 KEIITIPLVMQQCC-UHFFFAOYSA-N 304.371 1.952 10 10 DDCE Oc1cc(I)ccc1[C@H]1COCCN1 95783896 SKVYHOCZILRKHF-SECBINFHSA-N 305.115 1.658 10 10 DDCE COc1ccc(C(=O)OCC(=O)C(C)=O)cc1OC(F)F 808505269 WCRLRMLKOZHQTL-UHFFFAOYSA-N 302.229 1.612 10 10 DDCE O=c1oc2ccc(Cl)cc2n(OCC2CCNCC2)c1=O 821297147 OTAZNZBIRZIIIA-UHFFFAOYSA-N 310.737 1.036 10 10 DDCE CC[S@](=O)CCNC(=O)NCc1ccc(N2CCCC2)cc1 735098579 WIAUQRUTUPETCG-QFIPXVFZSA-N 323.462 1.855 10 10 DDCE COC(=O)CC(=O)NCc1cc(Br)ccc1O 908170020 HBHMLORBXOGLBB-UHFFFAOYSA-N 302.124 1.334 10 10 DDCE CN1CCC(CNC(=S)NCc2c(O)cccc2F)CC1 905660115 DCKIMVPOOATVEP-UHFFFAOYSA-N 311.426 1.837 10 10 DDCE COC(=O)[C@H]1COCCN1C/C=C\c1ccc(N(C)C)cc1 835029869 UBEYKQVKKBRTGK-YIEVGGLXSA-N 304.390 1.640 10 10 DDCE Cc1ccc(C(=O)N2CCN(CCCCCO)CC2)c(O)c1O 913692338 IHVRJQHKJJTPDJ-UHFFFAOYSA-N 322.405 1.327 10 10 DDCE Cc1ccc(O)c(CN[C@H]2CCN(C3CCOCC3)C2=O)c1 747622029 HNTITPCXGZPQNP-HNNXBMFYSA-N 304.390 1.570 10 10 DDCE COc1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2)c(O)c1 843499497 IARARXJLBXIOLO-UGFHNGPFSA-N 304.390 1.938 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCCCC(=O)O)C2)cc1 851650294 AXPRCZQAZKSDFX-GFCCVEGCSA-N 321.377 1.438 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C3(N(C)C)CCC3)C2)cc1 855224248 JHPQIUNQOQXAQP-CQSZACIVSA-N 317.433 1.874 10 10 DDCE CS(=O)(=O)CC1(CC(=O)NCc2c(O)cccc2F)CC1 928705970 PSUQTQVZCJTNIJ-UHFFFAOYSA-N 315.366 1.362 10 10 DDCE COc1ccc(N2CCN(CCc3cn(C)nn3)CC2)cc1F 859161494 NPXHKZIHNRMROX-UHFFFAOYSA-N 319.384 1.328 10 10 DDCE COC[C@@H](CCN[C@H](C)c1cc(C(=O)OC)ccc1O)OC 850485445 IFAYZTIRAAYUIV-DGCLKSJQSA-N 311.378 1.881 10 10 DDCE CC(=O)N[C@H](C(=O)N1Cc2cccc(O)c2C1)C1CCCC1 871199049 RORVGLTXAQTBKX-INIZCTEOSA-N 302.374 1.929 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)[C@@H](O)CC(=O)OCC 774043724 MWAVULOXGMCOBQ-AWEZNQCLSA-N 309.362 1.445 10 10 DDCE COc1ccc(CCC(=O)NCc2cccc(O)c2O)cn1 1123889597 PAOTYLGEHJKEMK-UHFFFAOYSA-N 302.330 1.750 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1cnc(O)s1 1877518742 XRBDHBITOSSVSD-UHFFFAOYSA-N 300.361 1.375 10 10 DDCE NC(=O)NCc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1136423190 XPKBHRLUINATCB-UHFFFAOYSA-N 315.329 1.447 10 10 DDCE Nc1nc(Cl)ccc1C(=O)NCCc1ccc(O)c(O)c1 1137464530 DMOUHLOOCHMOGS-UHFFFAOYSA-N 307.737 1.701 10 10 DDCE CC(=O)c1cc(F)cc(CN(CCO)[C@H]2CCO[C@H]2C)c1O 796577650 HPJKQNWMTDFRHB-NHYWBVRUSA-N 311.353 1.706 10 10 DDCE COc1ccc(COCC(=O)NCc2cc(O)ccc2O)cc1 1153879125 GJNLRCQNVYFGQK-UHFFFAOYSA-N 317.341 1.939 10 10 DDCE CC[C@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)N(C)C(=O)OC(C)(C)C 1961043482 UMXSZJVBCMPVQT-IJLUTSLNSA-N 312.410 1.898 10 10 DDCE O=C(NCc1cccc(O)c1O)c1c[nH]c2ccccc2c1=O 1153791788 KBGUTNCDTUBDQP-UHFFFAOYSA-N 310.309 1.869 10 10 DDCE COc1ccc2c(c1)NC1(CCN(C)CC1)CN2[C@@H](C)CN 76931207 GPBHIEAXDMUQOD-ZDUSSCGKSA-N 304.438 1.739 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 1322916347 DEDDULUVRAGUCX-SGMGOOAPSA-N 302.374 1.655 10 10 DDCE COc1ccc(CNC2(CNC(=O)CC(C)(C)O)CC2)cc1C 1277050267 UMBNYLQGNKDUGH-UHFFFAOYSA-N 320.433 1.903 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCO[C@]2(CCSC2)C1 1445857810 ZSRWRQMFIVPOSR-MLGOLLRUSA-N 323.414 1.811 10 10 DDCE CCN1CC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 1557133582 QEMQMAQKZRCQMH-PBHICJAKSA-N 317.433 1.732 10 10 DDCE O=C(/C=C/[C@H]1CCOC1)NCc1ccc(N2CCOCC2)cc1 1625607364 GPVGUXRKPJHZIB-GIZXNFQBSA-N 316.401 1.732 10 10 DDCE Cc1ccc(C(N)=O)cc1NC(=O)Cc1ccc(O)c(O)c1 1631380346 NFSWMDHDUVMEDO-UHFFFAOYSA-N 300.314 1.686 10 10 DDCE CCn1cc(Cl)c(C(=O)NCCc2ccc(O)c(O)c2)n1 1636022272 GOVAGYYVVDHVLH-UHFFFAOYSA-N 309.753 1.940 10 10 DDCE COC(=O)c1ccccc1C(=O)NCCc1ccc(O)c(O)c1 1566370309 VINSUYHYGIEOAX-UHFFFAOYSA-N 315.325 1.857 10 10 DDCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CN1CCOCC1 1596952510 CYCQCTPQBNCJBU-UHFFFAOYSA-N 319.449 1.822 10 10 DDCE C[C@@H]1CCc2cc(N3CCN(S(C)(=O)=O)CC3)ccc2N1 168394916 LPURJANHYQNPEL-GFCCVEGCSA-N 309.435 1.515 10 10 DDCE Nc1ccc(Oc2ccc(NC(=O)[C@@H](N)CC(=O)O)cc2)cc1 1865998489 QWLYCQBTYJWKHG-AWEZNQCLSA-N 315.329 1.802 10 10 DDCE Oc1ccc(CN(Cc2ccccc2)CC2(O)CNC2)cc1O 1915473944 INZZKPGFHFGMEE-UHFFFAOYSA-N 314.385 1.434 10 10 DDCE CC(C)NCc1ccc(N(C)CC(N)=O)c(Br)c1 232806533 OUVIIYGZFIPAFC-UHFFFAOYSA-N 314.227 1.869 10 10 DDCE CNCc1ccc(N2C[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1Cl 2144172054 VLBIHIZWAIXSFG-VXGBXAGGSA-N 314.838 1.540 10 10 DDCE OCc1ccc(N2C[C@H](CO)C[C@@H]2CO)cc1Br 2029383578 FYMMXZVQTQPCPS-BXKDBHETSA-N 316.195 1.121 10 10 DDCE CN(Cc1c(O)cccc1Br)C[C@H]1CNCCO1 706806684 XAKYOAJUGWNKKO-SNVBAGLBSA-N 315.211 1.575 10 10 DDCE Cn1cnc(CCNCc2c(O)cccc2Br)n1 706822214 ZWEQZQPWJHRUAA-UHFFFAOYSA-N 311.183 1.616 10 10 DDCE CCN(CCS(=O)(=O)CCOC)Cc1ccc(N)cc1 394461219 QUKSILPJXIXZIU-UHFFFAOYSA-N 300.424 1.152 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCC[C@H]3CCO[C@H](C)C3)c2n1 2062804759 LNADCYUWWNCRKV-NEPJUHHUSA-N 318.377 1.678 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCC[C@](O)(C4CC4)C3)c2n1 2062816006 IRNPURRALQAUQH-MRXNPFEDSA-N 316.361 1.120 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCCC[C@H]3CN(C)C)c2n1 2064054080 DGVGYIJKCVSOHR-LBPRGKRZSA-N 317.393 1.300 10 10 DDCE CCN(CCS(C)(=O)=O)c1c(F)cc([C@@H](C)N)cc1F 2194693563 CFKJNWZZEOZFRB-SECBINFHSA-N 306.378 1.855 10 10 DDCE Oc1cc(Br)ccc1CNCC1(O)CSC1 2243462590 OGPDSIDMXXFMOL-UHFFFAOYSA-N 304.209 1.722 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@H]2[C@@H](O)CO)cc1Br 2258342677 BDLRDJBDSCJYAR-HJIKLVIJSA-N 315.211 1.401 10 10 DDCE Cc1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)o1 2296659667 DVPXYVXQFLDSAS-UHFFFAOYSA-N 300.270 1.843 10 10 DDCE COC(=O)C=C1SC(Cc2ccc([N+](=O)[O-])cc2)=NC1=O 2297562386 YNDMSNJKGPBAIM-UHFFFAOYSA-N 306.299 1.866 10 10 DDCE NC(=O)CCCOC(=O)C=Cc1ccc(N2CCOCC2)cc1 2297775287 MRTBXJGAGYLYHB-UHFFFAOYSA-N 318.373 1.345 10 10 DDCE CCCc1nc2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2n1 2326105287 JNIYTUQGNCGGJY-UHFFFAOYSA-N 314.414 1.717 10 10 DDCE Cc1ccc(CN(C)C(=O)C2(N)CC2)c(O)c1Br 2327791374 BGMXIECDBVAQNW-UHFFFAOYSA-N 313.195 1.913 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCO[C@@H](C)C2)s1 2345467811 FYIYDJJMFPKYRT-QPUJVOFHSA-N 302.421 1.977 10 10 DDCE CN1C(=O)NC(=O)/C(=C\c2cccc(Br)c2)C1=O 59859857 BQESWXCOBAGMPY-RMKNXTFCSA-N 309.119 1.541 10 10 DDCE COc1cc(Cl)c(N(C)C[C@]2(O)CCOC2)c(OC)c1 2368090960 KVBKLRSVBRKRTL-CQSZACIVSA-N 301.770 1.945 10 10 DDCE Cc1cccc(CN2CC[C@@H](S(=O)(=O)C(F)F)C2)c1O 2368505972 QMCJDRIFCFUTNU-LLVKDONJSA-N 305.346 1.912 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@@H]2CCCC[C@@H]2CO)cc1 89503845 CJARKPZPUKQCML-UONOGXRCSA-N 312.435 1.487 10 10 DDCE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Cc1ccc(N)cc1 843492118 POPLZBCCZJGFLN-BJJXKVORSA-N 302.374 1.611 10 10 DDCE CN1CCN(c2ccc(CN[C@@H]3CC34CCNCC4)cc2)CC1 841078187 FUOGEVUROQPYRD-GOSISDBHSA-N 314.477 1.670 10 10 DDCE C[C@H]1CN(Cc2cc3c(cc2O)OCO3)[C@@H](C)CN1CCO 841892198 UVOCKYOFMWEREO-RYUDHWBXSA-N 308.378 1.008 10 10 DDCE Cc1ccc(C(=O)N2CC[C@@H](Nc3ncccn3)C2)c(O)c1O 843943047 WEFDTQHMJRASKZ-LLVKDONJSA-N 314.345 1.523 10 10 DDCE CCN(CC)c1ccc(CNC[C@]2(CO)COCCN2C)cc1 922540287 QQCIPQUAXZBSAO-SFHVURJKSA-N 321.465 1.316 10 10 DDCE CCCN(Cc1ccccc1O)c1cc(=O)n(C)c(=O)n1C 853451037 WVPCFSLIRLSRDG-UHFFFAOYSA-N 303.362 1.206 10 10 DDCE C[C@@]1(C(F)F)CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCO1 853634874 QVKCRJOTWBNCID-WFASDCNBSA-N 315.316 1.674 10 10 DDCE COC(=O)C1=CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 862664254 QHUDKUBIRRFETP-QBODLPLBSA-N 303.314 1.489 10 10 DDCE COC(=O)c1cnc(SC[C@@H](O)CC2(O)CCC2)s1 871980531 BSLYSBCAGODAEY-QMMMGPOBSA-N 303.405 1.688 10 10 DDCE Cc1cc(O)nc(N2CCN(C(=O)c3cc(O)cs3)CC2)n1 899500593 KDDFZFJUVUDDFU-UHFFFAOYSA-N 320.374 1.220 10 10 DDCE COc1cccc(CNC(=O)C(C)(C)n2cnc(C)c2)c1O 896118392 WYJSYVWGUJKTGH-UHFFFAOYSA-N 303.362 1.957 10 10 DDCE CCOc1cccc(CN[C@@H]2C(=O)NCC23CCOCC3)c1O 895772553 HMZVQUPABUPTRV-OAHLLOKOSA-N 320.389 1.176 10 10 DDCE CN1CCO[C@@H](C(=O)NCc2c(O)ccc3ccccc23)C1=O 1157042149 ZRJHUJRODIAOSB-HNNXBMFYSA-N 314.341 1.019 10 10 DDCE CCOC(=O)[C@@]1(CNC(=O)c2cccc(O)c2O)CCCOC1 1169003169 RNXWWZDBNFPMPH-MRXNPFEDSA-N 323.345 1.188 10 10 DDCE C[C@@H]1C[C@H]1CNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C 1327676012 GUMRHBKJRLPVOH-DOMZBBRYSA-N 315.417 1.457 10 10 DDCE C[C@@H](Oc1cccc(CO)c1)C(=O)NCc1c(O)cccc1O 1178911244 KYFHMAQEIIMUFO-LLVKDONJSA-N 317.341 1.674 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@]2(C1)CC2(F)F 1332643867 UTZZMKLVTOJSFV-OAHLLOKOSA-N 324.327 1.608 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N[C@H](CO)c1ccccn1 1298491782 SAAPRIZBNVMVPM-SCXUMTSISA-N 300.314 1.356 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCN3C[C@@H](F)C[C@H]3C2)cc1 1468321590 VSSLYNWLAAJZSA-AAEUAGOBSA-N 319.340 1.717 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1nc(C2CC2)n[nH]1 1624479686 JURZSTOBFPKZNO-UHFFFAOYSA-N 313.405 1.949 10 10 DDCE COC(=O)C1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCC1 1623357013 VDGDGZJZVNFAJG-UHFFFAOYSA-N 304.306 1.675 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccc(-c2nc[nH]n2)cc1 1558162285 YFXFKYLWRQUDCV-UHFFFAOYSA-N 310.313 1.813 10 10 DDCE Cc1csc2nc(CC(=O)NCc3ccc(O)c(O)c3)cn12 1631434462 STVFLWHQUJQENI-UHFFFAOYSA-N 317.370 1.974 10 10 DDCE C[C@H]1C[C@@H](N2CCCC2)CN1C(=O)Cc1ccc(O)c(O)c1 1640421478 GNROWGHOGNCCAH-GXTWGEPZSA-N 304.390 1.726 10 10 DDCE C[C@@H](CCNC[C@@H](C)O)NC(=O)c1ccc(N=NC(N)=O)cc1 1732758695 CJVDNTCTWMVILS-WDEREUQCSA-N 321.381 1.328 10 10 DDCE COc1cccc(C[C@@H](O)C(=O)NCc2c(O)cccc2O)c1 1597573229 AFMPWFSVEMLQBM-MRXNPFEDSA-N 317.341 1.326 10 10 DDCE COc1ccc(N2CCC(NC(=O)c3ccnnc3)CC2)cc1 155195188 SNYGRJHGNGNCNS-UHFFFAOYSA-N 312.373 1.884 10 10 DDCE CCOc1cccc(CNCCC(=O)N(CC)CCO)c1O 1857863841 IUOIBEAGMJGCJW-UHFFFAOYSA-N 310.394 1.111 10 10 DDCE CCS(=O)(=O)N(C)CCN[C@H](C)c1ccc(O)cc1O 1926346244 UZMLPBARXCXULT-SNVBAGLBSA-N 302.396 1.030 10 10 DDCE NCc1cc(F)c(N2CC(CCO)C2)cc1Br 1946929144 XYCWYYCCHVPCGW-UHFFFAOYSA-N 303.175 1.866 10 10 DDCE NC(=O)[C@@H](NCc1cc(Br)cc(F)c1O)C1CC1 2035304206 QGKNNYXUOZYDOW-JTQLQIEISA-N 317.158 1.647 10 10 DDCE NCc1cc(F)c(N2CCC[C@@H](CO)[C@@H]2CO)cc1Cl 2177384228 WUUCTJCFDCRINT-XPTSAGLGSA-N 302.777 1.507 10 10 DDCE CN[C@H]1C(=O)Nc2cc(N3CC([S@@](C)=O)C3)c(Cl)cc21 2171956848 LYEVWUACSSCUBC-MPBGBICISA-N 313.810 1.120 10 10 DDCE Nc1ccc(CNS(=O)(=O)c2ccc(C(=O)O)s2)cc1 2162461661 PYTOCZQRFAXASW-UHFFFAOYSA-N 312.372 1.507 10 10 DDCE NC(=O)C[C@H]1CCN(c2ccc(CO)cc2Br)C1 690710585 MUNUWKPQVILIQJ-SECBINFHSA-N 313.195 1.643 10 10 DDCE COC[C@]1(C)CCN(C(=O)c2cnn3c(O)cc(C)nc23)C1 2063350464 YPDJUJFPUUVHDN-OAHLLOKOSA-N 304.350 1.242 10 10 DDCE CC(C)S(=O)(=O)C[C@@H](C)NC(=O)c1ccc(O)c(O)c1 2170586102 RFJYTZKFLMNUSK-SECBINFHSA-N 301.364 1.039 10 10 DDCE CN[C@]1(C(N)=O)C[C@H](Sc2nccs2)CC[C@H]1COC 2183650143 IRDAAEYUQJDSSQ-OPQQBVKSSA-N 315.464 1.494 10 10 DDCE CC1(F)CC(NS(=O)(=O)CCOc2ccc(N)cc2)C1 2185661290 SQRZZVMFORYPGI-UHFFFAOYSA-N 302.371 1.458 10 10 DDCE CO[C@@H]1COC[C@H]1N(C)c1ccc(CO)cc1Br 2057139323 VCDAAMWHHBEWAJ-CHWSQXEVSA-N 316.195 1.791 10 10 DDCE C[C@@H](O)c1cnc(Sc2nnnn2CC(F)(F)F)s1 2225655545 GBQZDXZJFJPTEY-SCSAIBSYSA-N 311.314 1.896 10 10 DDCE Nc1cc(NS(=O)(=O)C[C@H]2C[C@H]2C(F)(F)F)ccc1O 2236140998 HBZCQOKMYSWJGX-HTRCEHHLSA-N 310.297 1.915 10 10 DDCE CSc1ncc(CN2[C@H](C(=O)O)CC[C@H]2C(=O)O)s1 2269118564 JZGVUKXBAFTMGS-YUMQZZPRSA-N 302.377 1.367 10 10 DDCE CC(C)(C)N1C(=O)NC(=O)C(=CNCCc2ccccc2)C1=O 2296185244 UDXMUTPAAAVOOY-UHFFFAOYSA-N 315.373 1.580 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)NCCC(=O)N1CCCCC1 2307987626 ZPRNZHNWMNDBNJ-UHFFFAOYSA-N 318.373 1.630 10 10 DDCE COc1ccc([C@H](O)CNC(=O)c2cc(O)c(O)c(O)c2)cc1 170190459 CIWPGRSCOWITDY-CQSZACIVSA-N 319.313 1.275 10 10 DDCE CCN[C@@H]1C(=O)Nc2cc(N3CC[C@@H](CO)C3)c(Cl)cc21 226455426 ZZXGFZMGVXJEQI-OTYXRUKQSA-N 309.797 1.761 10 10 DDCE CN1CCOC[C@H]1CNCc1cccc(Br)c1O 700195348 VDDLDAGHIUSRJV-LLVKDONJSA-N 315.211 1.575 10 10 DDCE CCOc1ccc(O)c(CN(C)[C@H]2CCN3CCO[C@H]2C3)c1 295190084 XDCIMRCGZGMGSX-RDJZCZTQSA-N 306.406 1.696 10 10 DDCE Nc1ccc(CCNS(=O)(=O)c2cnc(Cl)nc2)cc1 2162381825 PWSOWMKMZFWJFN-UHFFFAOYSA-N 312.782 1.233 10 10 DDCE CC1(C2CCN(CC(=O)c3ccc(O)c(O)c3)CC2)OCCO1 2165111901 JIESOTNEWWAPGO-UHFFFAOYSA-N 321.373 1.756 10 10 DDCE COCCNCc1ccc(N(C)CC[S@](C)=O)c(Cl)c1 399097036 QSDASIOOBQMUKM-FQEVSTJZSA-N 318.870 1.891 10 10 DDCE CNC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 588404762 FQWASGDLEKOYTB-XYLWRLHESA-N 304.346 1.238 10 10 DDCE C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1CCN 903977497 QNTYFVPQLKZDKC-SJLPKXTDSA-N 316.493 1.855 10 10 DDCE Nc1ccnc(CNCc2ccc(N3CCOCC3)c(F)c2)c1 903950902 SUAZZCQYXCOHDD-UHFFFAOYSA-N 316.380 1.929 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@H](O)c2cnn(C)c2)cc1 835042482 IVQACJJPYKROPX-CHYADLBTSA-N 300.406 1.823 10 10 DDCE CN(C)c1ncc(NC(=O)NCCc2ccc(N)cc2)cn1 841156329 JPVYVMVODSLMMB-UHFFFAOYSA-N 300.366 1.489 10 10 DDCE CC[C@](C)(CO)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 847556819 JGWRCNHHKZRHQJ-QGZVFWFLSA-N 324.396 1.892 10 10 DDCE C[C@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1ccc(N)cc1 841033641 YTVYPLMVCUSRJS-STQMWFEESA-N 318.421 1.586 10 10 DDCE C[C@@H](NC(=O)NCC[C@@]1(O)CCOC1)c1ccc(N(C)C)cc1 845123284 APRIQQOCFOQMGE-CXAGYDPISA-N 321.421 1.654 10 10 DDCE Cc1cc(N(C)C)ccc1CN1CN(CCN(C)C)C(=O)[C@@H]1C 843427923 DHWSYLDEOZDBQI-HNNXBMFYSA-N 318.465 1.613 10 10 DDCE C[C@@H]1CNCC[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 841064901 VUAZKUZKFYVNGQ-CZUORRHYSA-N 307.413 1.750 10 10 DDCE Nc1ccc(CCNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 841960280 ZYRLSIMWLHFDCU-ZDUSSCGKSA-N 317.311 1.520 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCn2ccnc2C1 935945684 GXFFDEQAVJVRPR-GFCCVEGCSA-N 320.389 1.953 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H]3CCC[C@H]32)cc1 1119712906 HILSRPUYABAPQO-NUEKZKHPSA-N 315.417 1.674 10 10 DDCE CNC(=O)c1ccc(NCc2c(O)cccc2O)c([N+](=O)[O-])c1 1307215944 OCFZHKACMUHWRJ-UHFFFAOYSA-N 317.301 1.978 10 10 DDCE COC(=O)c1cc(C(=O)NCc2cccc(Cl)c2O)on1 1305083791 CVBJUYUYMCWENJ-UHFFFAOYSA-N 310.693 1.750 10 10 DDCE COc1ccc(CNC(=O)NCc2cc(C)cnc2O)c(O)c1 1313381082 VOTSJPZFVURSKY-UHFFFAOYSA-N 317.345 1.809 10 10 DDCE C[C@H](N)c1ccc(N(C)[C@@H]2COC[C@H]2O)cc1Br 709221564 ILROTSOYHSEFRL-ZEGGKSINSA-N 315.211 1.665 10 10 DDCE COc1cc(Cl)cc(CN(C)CCCS(C)(=O)=O)c1O 694187390 AJWFNTWDKKPBEJ-UHFFFAOYSA-N 321.826 1.921 10 10 DDCE COc1ccc(N2CCN(C(=O)c3coc(OC)n3)CC2)cc1 1334888978 DWXQCRXNLKVAKH-UHFFFAOYSA-N 317.345 1.654 10 10 DDCE CONC(=O)CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 1479462585 ATOMNIXUXHMJIH-UHFFFAOYSA-N 320.393 1.106 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cccc(-n2cnnn2)c1 1471975180 SAJTVVPJWLVBAB-UHFFFAOYSA-N 313.292 1.437 10 10 DDCE COCCN(C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1483424377 QTUXCZRWFMIBAQ-LLVKDONJSA-N 321.381 1.546 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CC[C@H](C(F)(F)F)O1 1637776848 STRMYTHSIHJPOG-BXKDBHETSA-N 319.279 1.866 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCCNC(=O)OC 1556515978 UWJFGQXGHXADAR-UHFFFAOYSA-N 315.366 1.630 10 10 DDCE COc1cc(N(C)CCN2CCCC2=O)c([N+](=O)[O-])cc1OC 1639477438 AEQNRQSPUDRPGC-UHFFFAOYSA-N 323.349 1.671 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@@H]2CCO[C@H]2C)cc1C 1691528170 IBNRBCRBJGWAIM-GOEBONIOSA-N 320.433 1.977 10 10 DDCE CN(CC(N)=O)c1ccc(/C=C/C(=O)O)cc1C(F)(F)F 163772619 CXQQPLALWANBSJ-HWKANZROSA-N 302.252 1.725 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)NCCc2ccc(N)cc2)c1 152588391 YPNKKOFZJRGVPD-QPJJXVBHSA-N 324.384 1.396 10 10 DDCE CN(C)[C@H](CNC(=O)Cc1ccc(N)cc1)c1ccc(O)cc1 1865956676 DRBQNTCCUZREKP-QGZVFWFLSA-N 313.401 1.936 10 10 DDCE C[C@@H](NCc1ccc(N)cc1)C1(O)CN(C(=O)OC(C)(C)C)C1 1918668082 FEHYQXMXNPFZTM-GFCCVEGCSA-N 321.421 1.729 10 10 DDCE C[C@@H](CS(=O)(=O)N(C)C)NCc1cc(Cl)ccc1O 1967713334 MLFSGXRBEPWOLF-VIFPVBQESA-N 306.815 1.415 10 10 DDCE CN1C(=O)CNC[C@@H]1c1cc(Cl)cc(Br)c1O 1952156122 UHUCBJFSWCEMMJ-SECBINFHSA-N 319.586 1.911 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@]1(C(=O)O)c1cccc(O)c1O 1952676754 WVCVDTZWFOTQST-ZUZCIYMTSA-N 309.318 1.717 10 10 DDCE CC(C)(C)OC(=O)N1CC(=O)N[C@@H](Cc2ccc(N)cc2)C1 1952853603 NAPKUYJTJNEXGI-ZDUSSCGKSA-N 305.378 1.547 10 10 DDCE NCCCN(Cc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1 1988129885 DWTDOVYIWAYBCN-UHFFFAOYSA-N 316.357 1.795 10 10 DDCE CCCNCc1ccc(N(C)C2CS(=O)(=O)C2)c(F)c1 2152239397 LAEVHIDCASMOOU-UHFFFAOYSA-N 300.399 1.559 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H](CO)[C@@H](O)C2)c(Br)c1 316231663 BZCACIUMUGCOIL-DVYJOKAKSA-N 315.211 1.258 10 10 DDCE CC(CO)(CO)CNCc1ccc(Br)cc1O 691476952 OPQUNMHARKMASN-UHFFFAOYSA-N 304.184 1.235 10 10 DDCE NCc1ccc(N2CC[C@@H](O)[C@H](CO)C2)cc1Br 396847386 CWJJGKOHANNOSH-GXFFZTMASA-N 315.211 1.087 10 10 DDCE OC[C@H]1COCC[C@H]1NCc1cc(Br)ccc1O 2072977674 DKENWOFFSHACOM-CMPLNLGQSA-N 316.195 1.642 10 10 DDCE Cn1ncc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)n1 2088142564 QGWNLSZREGOHRR-UHFFFAOYSA-N 323.161 1.628 10 10 DDCE CN(CCN(C)S(C)(=O)=O)c1ccc(CN)c(Cl)c1 2090799634 MXGMPWXPKFLZJP-UHFFFAOYSA-N 305.831 1.126 10 10 DDCE O=S1(=O)C[C@H]2CCN(c3ccc(CO)c(Cl)c3)[C@@H]2C1 2094928212 UOOZJRVLDAYMCV-ZWNOBZJWSA-N 301.795 1.456 10 10 DDCE C[C@@H](N)c1ccc(N2CC3(CNC(=O)C3)C2)c(Br)c1 2119574166 FJQKLKSIVYWNSC-SECBINFHSA-N 324.222 1.795 10 10 DDCE CCOCCC[S@](=O)C[C@H](O)COc1ccc(N)cc1 2235700521 XPSNXALZWFMRSM-XCLFUZPHSA-N 301.408 1.184 10 10 DDCE CC[C@@H](CO)N1CCN(C(=O)C=Cc2ccc(O)c(O)c2)CC1 2307989974 QNBRBTAEQHKRAC-AWEZNQCLSA-N 320.389 1.026 10 10 DDCE C[C@@H](O)CN1CCN(C(=O)C=Cc2ccc(O)c(O)c2)[C@H](C)C1 2312437464 SEQUALHKJXZPKH-CHWSQXEVSA-N 320.389 1.025 10 10 DDCE CCN(CC(N)=O)Cc1ccc(C)c(Br)c1O 2307446647 MKUWBYRIYKHAGN-UHFFFAOYSA-N 301.184 1.770 10 10 DDCE Cc1ccc(CNC(=O)[C@H](C)CO)c(O)c1Br 2307570383 OENXIKIJLFDFEG-MRVPVSSYSA-N 302.168 1.708 10 10 DDCE COc1ccc(CN2CCN(CCN3CCCC3)CC2)c(O)c1 119541050 FBLPAZDPUQULDA-UHFFFAOYSA-N 319.449 1.614 10 10 DDCE COc1ccc(CN2CCN(CC(C)(C)O)C[C@H]2C)c(O)c1 188745869 OPHDAJQKTXEJNQ-CYBMUJFWSA-N 308.422 1.678 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2c[nH]c(=O)cc2C)c1 133083477 JPWPXANIRJFJBG-JTQLQIEISA-N 302.330 1.889 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC2(O)CCCCCC2)cc1 87088750 HBBKAYZBLJXOIE-UHFFFAOYSA-N 312.435 1.774 10 10 DDCE N[C@H](c1c(Br)ccc(F)c1O)C(F)(F)CO 95706396 LCEBLWPBAFVFOR-MRVPVSSYSA-N 300.074 1.921 10 10 DDCE COCC(COC)S(=O)(=O)N1CCC[C@@H](N=[N+]=[N-])CC1 2155556260 QDULBIQCIGXFQT-SNVBAGLBSA-N 306.388 1.142 10 10 DDCE CC(C)NCCCS(=O)(=O)N(C)Cc1ccccc1O 722273422 QRJZCPBAGSGXIR-UHFFFAOYSA-N 300.424 1.542 10 10 DDCE CN(CC[S@](C)=O)c1c(F)cc(/C=C\C(=O)O)cc1F 398889317 YKUJWEDWTWKUCY-XQQSMPNESA-N 303.330 1.877 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCCNC3)C2)cc1 818613589 ULJQDTSILDPUEZ-LSDHHAIUSA-N 317.433 1.637 10 10 DDCE Oc1cc2c(cc1CN1CCOC[C@@H]1C(F)(F)F)OCO2 739870437 TVUBFMHBYRHVFQ-GFCCVEGCSA-N 305.252 1.884 10 10 DDCE C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)CCN1C 919908847 KMVYLTQBYOCIFE-YOEHRIQHSA-N 314.433 1.955 10 10 DDCE COc1cccc(O)c1CN1CCn2c(CC3CC3)nnc2C1 846012899 CAZOBQKWBVDQRG-UHFFFAOYSA-N 314.389 1.961 10 10 DDCE COc1ccc(N(C)CCN(C)c2nc(C(N)=O)cs2)cc1 845669129 HSCSLNDFJYVCSJ-UHFFFAOYSA-N 320.418 1.823 10 10 DDCE Cc1cc(C)c([C@H](C)NC[C@H](O)CS(C)(=O)=O)c(O)c1 927026149 PUTUJBTZNNQPDZ-RYUDHWBXSA-N 301.408 1.065 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CCCCC[C@H]2CCO)cc1 841129810 LQIMIRHGDXNZBZ-AWEZNQCLSA-N 305.378 1.361 10 10 DDCE Cc1ccc([C@@H](C)NCC[C@H]2CNCCS2(=O)=O)c(O)c1 925801899 YPJOFSOYORDQFG-OLZOCXBDSA-N 312.435 1.128 10 10 DDCE CC(C)NC(=O)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 857335023 PQEPXYRDSRIEMC-JTQLQIEISA-N 324.352 1.614 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)c1 862754257 WBBHMUUIVMKGBF-VWPFQQQWSA-N 317.341 1.037 10 10 DDCE CCO[C@@H](CS(=O)(=O)NCc1ccc(O)cc1O)C1CC1 867417560 ZLBRGLGNGHGSCI-AWEZNQCLSA-N 315.391 1.332 10 10 DDCE COCCNC(=O)CN(C)[C@H](C)c1cc(Cl)ccc1O 133132160 NWCOMBQVANCHQT-SNVBAGLBSA-N 300.786 1.801 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2cnn(C)c2)cc1C 1274670129 DCQNQLRGGDDIPP-CYBMUJFWSA-N 316.405 1.645 10 10 DDCE CN(C(=O)c1cn(C)nc1-c1cnn(C)c1)c1ccc(F)cn1 1525743886 GMJAETRCCRFQQY-UHFFFAOYSA-N 314.324 1.631 10 10 DDCE O=S1(=O)C[C@H]2C(CNCc3ccc(Cl)cc3O)[C@@H]2C1 2117986943 BRUJCQWOJDVUDC-RYUDHWBXSA-N 301.795 1.426 10 10 DDCE O=S1(=O)C[C@H]2[C@@H](CNCc3ccc(Cl)cc3O)[C@H]2C1 2117984791 BRUJCQWOJDVUDC-ZSBIGDGJSA-N 301.795 1.426 10 10 DDCE CCOc1cc(CNCCN(C)C)ccc1N(C)CC(=O)O 211982048 WAJCGYWROBDAKA-UHFFFAOYSA-N 309.410 1.257 10 10 DDCE Nc1ncc([N+](=O)[O-])cc1C(=O)N1Cc2cccc(O)c2C1 1636231274 YRXGHGGQJLAASV-UHFFFAOYSA-N 300.274 1.434 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)Cn2cccn2)cc1C 1497788526 HJCOOSHKYYBBGQ-CQSZACIVSA-N 316.405 1.495 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCSC[C@H]2CCO)cc1 1635963919 FZPOJNNVEWPGIK-GFCCVEGCSA-N 322.390 1.789 10 10 DDCE COC(=O)CC[C@@H]1CC[C@H](C(=O)NCc2ccc(O)c(O)c2)O1 1630272828 FHAYKGARGABRTQ-SMDDNHRTSA-N 323.345 1.215 10 10 DDCE O=Cc1ccccc1OCC(=O)NCc1cccc(O)c1O 1637046812 ZOLQROBBFCSUJU-UHFFFAOYSA-N 301.298 1.606 10 10 DDCE CC/C(C)=C/C(=O)NC[C@@H](CO)NCc1ccc(OC)c(C)c1 1734364893 KUBIEFVUPUXBTC-OIQJVACTSA-N 320.433 1.927 10 10 DDCE CCOC(=O)C[C@H](O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1567777589 YIDVOQXABNBRAM-FZMZJTMJSA-N 308.378 1.244 10 10 DDCE O=C(NCCc1nc2c(s1)COCC2)c1cccc(O)c1O 1647930946 ZVOUUBLCSIDZGD-UHFFFAOYSA-N 320.370 1.600 10 10 DDCE CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(O)cc1O 1643100658 FTVGISSKQBZLCO-UHFFFAOYSA-N 317.301 1.978 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cccc2ncnc(O)c12 1651225643 ROKBUZFHFCPZJQ-UHFFFAOYSA-N 311.297 1.677 10 10 DDCE CN1C[C@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)CC1=O 1652076049 QWXUCMGAQAKRBQ-SNVBAGLBSA-N 317.349 1.447 10 10 DDCE O=C(N[C@H](CO)c1ncc[nH]1)c1cc2cc(O)c(O)cc2s1 1652790680 HAVWSGZCFSFROB-MRVPVSSYSA-N 319.342 1.499 10 10 DDCE CC(C)(C)OC(=O)N1CC(CO)(NCc2cccc(O)c2O)C1 1918434284 UFGAEUUTAXGXRU-UHFFFAOYSA-N 324.377 1.169 10 10 DDCE CCS(=O)(=O)N(C)CCN[C@@H](C)c1cc(F)ccc1O 1926354711 BZXAOZRRPHXBHO-JTQLQIEISA-N 304.387 1.463 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H](O)[C@@H](F)C2)c(Br)c1 1944302896 WVIWURLKRIAXDD-JWYUURKGSA-N 303.175 1.988 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)COc1ccc(N)cc1 1977673000 SZHJMBCLPWLBCB-STQMWFEESA-N 321.377 1.429 10 10 DDCE CS[C@@H]1CC[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 702015598 JTPOTBXXINKISR-CHWSQXEVSA-N 316.448 1.461 10 10 DDCE CN(CC1CSC1)S(=O)(=O)CCOc1ccc(N)cc1 718400209 LXZNBPIJIRKJEE-UHFFFAOYSA-N 316.448 1.272 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCC(C)(C)C(C)(C)O)c2n1 2062370623 PXFQTOSGAURUGJ-UHFFFAOYSA-N 306.366 1.270 10 10 DDCE CC(C)S(=O)(=O)C[C@H](C)NCc1ccc(F)c(F)c1O 2170597232 NKHQWTGECSHHMA-VIFPVBQESA-N 307.362 1.972 10 10 DDCE CN1C[C@H](N(C)c2ccc(CN)cc2Br)CC1=O 2068208564 FMEZVULBQNYWNW-SNVBAGLBSA-N 312.211 1.575 10 10 DDCE Oc1c(Br)cccc1CN[C@H]1CCc2nncn2C1 2103715074 FLZLMTOXALTNPA-JTQLQIEISA-N 323.194 1.851 10 10 DDCE CO[C@@H]1CN(c2ccc(CO)cc2Cl)[C@@H](CO)[C@H]1OC 2233353153 LCVVGFVKAQHZHL-BFHYXJOUSA-N 301.770 1.043 10 10 DDCE CCOC(=O)c1nc(NN(C)S(C)(=O)=O)sc1CC 2339731015 UCSYIVGWJHFUMB-UHFFFAOYSA-N 307.397 1.101 10 10 DDCE C[C@H]1[C@@H](C)N(Cc2cc3c(cc2O)CCC3)CCS1(=O)=O 172407803 CWLXYYZLUHWORR-NEPJUHHUSA-N 309.431 1.888 10 10 DDCE COc1cc(CNS(=O)(=O)Cc2ccc(N)cc2)ccn1 62058283 QVJYWWAKXYCWPQ-UHFFFAOYSA-N 307.375 1.292 10 10 DDCE COC(C)(C)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 171587934 KYWJRYNLRDSVHK-UHFFFAOYSA-N 306.406 1.907 10 10 DDCE CCOc1cccc(CN2CCN(C[C@H](O)CC)CC2)c1O 123529855 VAWYWKKTYOVBHG-OAHLLOKOSA-N 308.422 1.679 10 10 DDCE Cc1nc(C2(NC(=O)/C=C/c3ccc(O)c(O)c3)CCC2)no1 180693209 YMNHIBDBJDSFQR-GQCTYLIASA-N 315.329 1.998 10 10 DDCE COc1ccc(O)c([C@@H](C)NN(C)S(=O)(=O)C2CC2)c1 2365321163 QTNUPEULZFKLCQ-SECBINFHSA-N 300.380 1.390 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@H](C)[C@H]2CO)c([N+](=O)[O-])c1 189866332 SXMXFOJUJPRTPC-VWHOVGTBSA-N 320.345 1.988 10 10 DDCE C[C@](N)(CC(=O)O)c1cccc(I)c1O 238497352 PVQAPFBHPPFUQZ-JTQLQIEISA-N 321.114 1.645 10 10 DDCE Cc1cc(Cl)cc(CN2CCC[C@@H](S(N)(=O)=O)C2)c1O 364138000 WXXAALSLRPCPGH-GFCCVEGCSA-N 318.826 1.607 10 10 DDCE COc1cc(N2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])cc1OC 371808030 FRURAEVGQYFWME-NSHDSACASA-N 323.349 1.133 10 10 DDCE O=C(CCNCc1cc(Cl)c(F)cc1O)N1CCOCC1 294106355 FNUNJJOOBOMTCO-UHFFFAOYSA-N 316.760 1.523 10 10 DDCE CC(=O)C(=O)COC(=O)c1c(F)cccc1Br 808522653 CEFQMQLZHRAOCC-UHFFFAOYSA-N 303.083 1.903 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCNC(=O)CC1 814818954 QWMARBHINGZFPV-AWEZNQCLSA-N 303.406 1.627 10 10 DDCE NC(=O)CN1C(=O)/C(=C/c2cnn3ccccc23)SC1=S 729687970 LGTFLDJXZAJUJP-YHYXMXQVSA-N 318.383 1.021 10 10 DDCE COC(=O)c1nsc(=NCc2cnc(SC)s2)[nH]1 2256958592 JGTJBWRMRNTHSO-UHFFFAOYSA-N 302.406 1.537 10 10 DDCE COc1cccc(O)c1CN1CCC(N2CC[C@@H](O)C2)CC1 827699668 LDICHPSNZNBHMD-CQSZACIVSA-N 306.406 1.432 10 10 DDCE CCc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)n[nH]1 728071528 SCAILQRGPZPVAU-UHFFFAOYSA-N 324.362 1.302 10 10 DDCE CC(=O)C(=O)COC(=O)CCc1cccc(OC(F)F)c1 820950867 AXDXOQQCZGKAOT-UHFFFAOYSA-N 300.257 1.922 10 10 DDCE COC(=O)CC[C@@H]1CC[C@H](C(=O)NCc2cc(C)ccc2O)O1 824903589 AVPYPYFKMUMDLI-DZGCQCFKSA-N 321.373 1.818 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCc2nc[nH]c2C1 830531908 OPECXFWBMUSOIV-LLVKDONJSA-N 301.346 1.285 10 10 DDCE CO[C@H](CCNC(=O)c1c(F)ccc(O)c1O)C(F)(F)F 830057325 QDAWUMPVOZQBFT-MRVPVSSYSA-N 311.231 1.934 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1C[C@@H]2COC[C@@H]2O1 831261288 KQPBJMRBUIYUNQ-BROVIGFASA-N 305.330 1.031 10 10 DDCE O=C1O[C@@H](CNCc2cc([N+](=O)[O-])ccc2O)CN1C1CC1 848577403 FHEXBZXGIHZNRU-LBPRGKRZSA-N 307.306 1.373 10 10 DDCE C[C@@]1(C(F)F)CN(C(=O)C(=O)Nc2ccc(N)cc2)CCO1 853336944 SKFZNCRJAKVTTM-AWEZNQCLSA-N 313.304 1.090 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NOCC(C)(C)O)C2)cc1 854296055 AUCTXLIPNHTKFO-LBPRGKRZSA-N 323.393 1.276 10 10 DDCE Nc1ccc(Cc2nc(C(=O)O[C@@H]3CCNC3=O)cs2)cc1 751937592 REXNQARPHHPFLF-GFCCVEGCSA-N 317.370 1.361 10 10 DDCE O=S(=O)(C[C@@H]1CCCC1(F)F)NCc1ccc(O)cc1O 867417430 VGEBVYFLLHZOCM-JTQLQIEISA-N 321.345 1.953 10 10 DDCE COC(=O)[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 775650661 TVFDFYDPGIVDRC-INIZCTEOSA-N 317.433 1.433 10 10 DDCE NS(=O)(=O)C[C@@H]1CCCN1Cc1cccc(Cl)c1O 775697297 YOEVJOORWBPEPC-JTQLQIEISA-N 304.799 1.299 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNCC[C@@H](C)[S@](C)=O)c1O 775051577 NULDGVJEZYREAB-BTKVJGODSA-N 316.379 1.556 10 10 DDCE COC(=O)c1c(CNC[C@H]2C[C@H](O)C2)c2cc(F)ccc2n1C 895471882 AQHVYZFSXFEXMZ-UMSPYCQHSA-N 320.364 1.965 10 10 DDCE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2cccc(O)c2O)C1 790940407 JTLJQTHFVSQTSZ-MNOVXSKESA-N 322.361 1.695 10 10 DDCE C[C@]1(C(=O)NCCCSc2nccs2)CCC(=O)NC1 798964935 REWYDWCMOVTTEF-ZDUSSCGKSA-N 313.448 1.658 10 10 DDCE COc1ncc(/C=C/C(=O)NCc2c(O)cccc2O)cn1 1304053921 WFVIWUPPVRJMTH-AATRIKPKSA-N 301.302 1.226 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCc2ccsn2)cc1 705668086 CPSHLNPCQZKHGZ-UHFFFAOYSA-N 313.404 1.224 10 10 DDCE CS(=O)(=O)Nc1ccc(NS(=O)(=O)CC(F)F)cc1 695084366 CCPPBHXJFGQDFJ-UHFFFAOYSA-N 314.335 1.065 10 10 DDCE CCN(CC(=O)NC)c1ccc(CNC)cc1C(F)(F)F 163694203 YWOVFASRLMPOMQ-UHFFFAOYSA-N 303.328 1.997 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@]2(C1)CC2(F)F 1332643866 UTZZMKLVTOJSFV-HNNXBMFYSA-N 324.327 1.608 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1nc[nH]n1 1290374164 JBZLOYXYYCQWMG-UHFFFAOYSA-N 313.405 1.996 10 10 DDCE O=C(NCC[C@H]1C(=O)Nc2ccccc21)c1cccc(O)c1O 1463851650 JJSGFNFDVWTRPW-LLVKDONJSA-N 312.325 1.954 10 10 DDCE CC(=O)N(C)C[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1701587839 BJUBXWMVCDCJCP-VIFPVBQESA-N 305.338 1.446 10 10 DDCE C[C@@H](C[C@@H](O)c1ccco1)NC(=O)Cc1ccc(O)c(O)c1 1622058206 JPZUEPGQZYZXCA-IINYFYTJSA-N 305.330 1.862 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1nnc(N)s1 1627028118 BPUCHBONERODEL-UHFFFAOYSA-N 313.379 1.171 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)[C@@H](C)CC(N)=O)cc1C 1715990062 PXCMACXPTROAJX-STQMWFEESA-N 321.421 1.109 10 10 DDCE O=C(NCc1cnc(Cl)cn1)NCc1c(O)cccc1F 1637894885 YDRIMEJLOHWDMU-UHFFFAOYSA-N 310.716 1.974 10 10 DDCE CC(C)[C@H](NC(N)=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 1633315916 ZKIDQAXYRYLCJK-FZMZJTMJSA-N 306.410 1.623 10 10 DDCE CN1C[C@H]2CC[C@H]1[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)C2 1638897433 DPJXVZOFYORCDX-MJBXVCDLSA-N 304.390 1.487 10 10 DDCE O=C(Cn1nnc(-c2ccccc2)n1)N1Cc2cccc(O)c2C1 1650673010 PRNFBRYNDJTLQB-UHFFFAOYSA-N 321.340 1.588 10 10 DDCE COc1cccc(CNC(=O)c2cccnc2OCCO)c1O 1595800497 XECCPCKSWHCDGF-UHFFFAOYSA-N 318.329 1.097 10 10 DDCE CCOCC(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 1670741424 BXUQVPUVPZHVBM-UHFFFAOYSA-N 306.406 1.779 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H]3C(C(N)=O)[C@H]3C2)cc1Br 2136616033 YEWMHCGWGXUXEJ-GGVZMXCHSA-N 324.222 1.636 10 10 DDCE COc1cc(Cl)cc(CNC[C@@H]2CN(C)CCO2)c1O 228673784 ARQHSMWOPRYAGI-GFCCVEGCSA-N 300.786 1.474 10 10 DDCE CN1C(=O)CNC[C@H]1c1cc(Br)cc(F)c1O 1952151066 DNUPSQIDHMTMQZ-VIFPVBQESA-N 303.131 1.397 10 10 DDCE O=C1Nc2cc(N3CC[C@H](O)[C@H](F)C3)c(Cl)cc2[C@H]1O 2144565675 BTNQRJHIMBQEGZ-JFUSQASVSA-N 300.717 1.235 10 10 DDCE Nc1ccc(OC[C@H](O)CN2CCC(C3OCCO3)CC2)cc1 2145837494 SPDLRKMANDETNR-OAHLLOKOSA-N 322.405 1.093 10 10 DDCE O=C1Nc2cc(N3CC[C@H]3CO)c(Br)cc2[C@H]1O 2031674444 BPLIZSNJHCBHAR-UPONEAKYSA-N 313.151 1.006 10 10 DDCE CNCc1ccc(N2CCC[C@H](S(C)(=O)=O)C2)c(F)c1 312725825 RQERIFIQQWWNNX-LBPRGKRZSA-N 300.399 1.559 10 10 DDCE C[C@H](N)c1ccc(N2CCC[C@@H](S(C)(=O)=O)C2)c(F)c1 312917976 CIHZYKTZDRKXDJ-CMPLNLGQSA-N 300.399 1.859 10 10 DDCE O=C(O)[C@@H]1COCCN1Cc1ccc(Br)cc1O 691423414 QRSUJXCTIADRHV-JTQLQIEISA-N 316.151 1.440 10 10 DDCE NCc1ccc(N2CC[C@H]3C(=O)NC[C@@H]3C2)cc1Br 2100950308 ROZVCZWTHLACPS-ZYHUDNBSSA-N 324.222 1.480 10 10 DDCE Nc1ccc(NC(=O)CN2CCC[C@H](C3OCCO3)C2)cc1 2089611714 MNXRREUUYJTUSM-LBPRGKRZSA-N 305.378 1.292 10 10 DDCE CNC1CN(Cc2c(Br)ccc(OC)c2O)C1 2214882923 NNSZIIZKBWCDRC-UHFFFAOYSA-N 301.184 1.567 10 10 DDCE Nc1ccc(OC[C@H](O)Cn2ccnc2Br)cc1 2220478746 CRNUFWYUFNYJOF-SNVBAGLBSA-N 312.167 1.668 10 10 DDCE CSc1ncc(CNC(=O)N2CC[C@@H](C(=N)NO)C2)s1 2284558578 VYBPCMFHWVQIGF-SSDOTTSWSA-N 315.424 1.353 10 10 DDCE CSc1ncc(Cn2cncc2[C@@H]2CNCCOC2)s1 2284711549 KBBWHWBBTSSXNL-SNVBAGLBSA-N 310.448 1.813 10 10 DDCE COc1ccc(Br)c(CN2C[C@@H]3C[C@]3(N)C2)c1O 1236025385 GVXUHYXSMSFULU-SDBXPKJASA-N 313.195 1.696 10 10 DDCE O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(-n2cncn2)nc1 2307987422 BFCQAHUCCNHDQV-UHFFFAOYSA-N 323.312 1.725 10 10 DDCE COc1ccc(N2CCN(CN3C(=O)[C@H]4CC[C@H]3C4)CC2)cc1 176698623 VNORKNWRCIZQGP-HOCLYGCPSA-N 315.417 1.786 10 10 DDCE Nc1ccc(CC(=O)N2[C@H](C(=O)O)CS[C@@H]2C2CC2)cc1 111419067 KWTRJPBYCCMDCO-GXTWGEPZSA-N 306.387 1.576 10 10 DDCE CSc1ncc(CNC(=O)NC[C@@H]2C[C@@H]2CC(=O)O)s1 2360916267 QJOZAUNOAVMCNZ-SFYZADRCSA-N 315.420 1.775 10 10 DDCE C[C@H]1CN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C[C@@H](C)N1C 127628231 KNVKZWXDSAPIKZ-QIBSRJKCSA-N 308.813 1.821 10 10 DDCE COC(=O)/C=C/c1ccc(N2CCC[C@H]2CO)c([N+](=O)[O-])c1 301247667 IFPBGWBGJQPKJY-PZBABLGHSA-N 306.318 1.742 10 10 DDCE COc1ccc(O)c(CN2CCO[C@@H](Cn3cc(C)cn3)C2)c1 180129649 DPFDZXLXCHKZPB-MRXNPFEDSA-N 317.389 1.807 10 10 DDCE CN(c1ccc(CNC2CC2)cc1F)[C@@H]1CCS(=O)(=O)C1 36870459 AAGUFUBNHIAXCA-CYBMUJFWSA-N 312.410 1.701 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C[C@@H](C)N1C 127628671 KNVKZWXDSAPIKZ-NUPCCRGMSA-N 308.813 1.821 10 10 DDCE Cc1cc(CN2CC[C@H](NS(C)(=O)=O)C2)ccc1N(C)C 292979978 FFOGDYRYIKCBJM-AWEZNQCLSA-N 311.451 1.185 10 10 DDCE Cc1cc(COCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)on1 801186553 UUNVCEOPWBGUJD-SNVBAGLBSA-N 320.345 1.658 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](NC(=O)CC(C)C)c1ccccc1 808513960 QXCJAKHDJIUEQD-MRXNPFEDSA-N 319.357 1.591 10 10 DDCE C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1cccc(O)c1O 804375850 ULHUWDHTZPWNBG-XVKPBYJWSA-N 305.252 1.890 10 10 DDCE O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1CCn2ccnc21 819170026 RYLMDTIKHYTOSN-LBPRGKRZSA-N 312.329 1.498 10 10 DDCE COC[C@]1(C(=O)NCc2ccc(N(C)C)cc2C)CCOC1 825872769 AGFPSRVXNSRQRS-QGZVFWFLSA-N 306.406 1.730 10 10 DDCE COC(=O)[C@@H](NCc1ccc(N(C)C)c(C)c1)c1ccnn1C 830368884 CRVFIFPOAAUTQY-INIZCTEOSA-N 316.405 1.798 10 10 DDCE COc1ccc(O)c(CNC(=O)NC[C@@H]2C=C[C@H]3C[C@@H]2CO3)c1 918745288 JFUCTLQEXQYGSZ-LNSITVRQSA-N 318.373 1.791 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nnn(C(C)(C)C)n1 831925252 UQMWKTXEHHNZKN-VIFPVBQESA-N 319.365 1.200 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)NCC[C@@H]1CNC(=O)C1 919082141 VQJWBGKAVYAMAF-ZDUSSCGKSA-N 318.421 1.386 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NCC(=O)N(C)OCC 845566729 GOXKOCJKYSQINW-UHFFFAOYSA-N 323.393 1.724 10 10 DDCE Cc1ccc(C(=O)N2CCN(c3ncns3)CC2)c(O)c1O 854814793 QBXNQXDTSFNIKF-UHFFFAOYSA-N 320.374 1.220 10 10 DDCE CCN(C)c1ccc(CN2CCN(c3nccnn3)CC2)cc1 859408760 GICDKVIJFUXEDN-UHFFFAOYSA-N 312.421 1.650 10 10 DDCE CN(C)CCC[C@H]1CN(C(=O)Cc2ccc(N)cc2)CCO1 852924338 NYPGAEYFQPMZQN-INIZCTEOSA-N 305.422 1.381 10 10 DDCE CN(CC1(O)CCC1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 758933423 CNUPJPDTWONLLS-UHFFFAOYSA-N 307.306 1.277 10 10 DDCE NC(=O)N1CCC[C@H]1C(=O)NCc1ccc2cccnc2c1O 862026934 DSTGZAWNECBQMS-LBPRGKRZSA-N 314.345 1.100 10 10 DDCE Cc1ccc(C(=O)N[C@H]2CCN(C3CCC3)C2=O)c(O)c1O 863838964 KHWDXOGELUXUHA-LBPRGKRZSA-N 304.346 1.289 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)c1 862755001 MXMPODIFHDBHAD-VDXNLZSASA-N 300.358 1.232 10 10 DDCE COC(=O)C12CCC(CC1)N2C(=O)/C=C/c1ccc(O)c(O)c1 870734514 AOPQGHFNNLQKTN-HWKANZROSA-N 317.341 1.808 10 10 DDCE CN(C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)c1ccc(N)cc1 877079989 DARHOGTWMPLSCT-WFASDCNBSA-N 305.403 1.686 10 10 DDCE COc1ccc(O)c(CNC(=O)Cn2cnc3c2CCCC3)c1 777802700 USHAFXMMTOCICZ-UHFFFAOYSA-N 315.373 1.793 10 10 DDCE COC[C@H](NCc1cc([N+](=O)[O-])ccc1O)C1CCOCC1 783238194 RVVVVRZHYHZACT-AWEZNQCLSA-N 310.350 1.832 10 10 DDCE CC(=O)C(=O)COC(=O)c1sc([C@@H]2CCCOC2)nc1C 796221419 JSSJHUKEYWGCPO-SNVBAGLBSA-N 311.359 1.660 10 10 DDCE CC(C)(C)OC(=O)N1CC(NC(=O)Cc2ccc(N)cc2)C1 1959372045 QVQKOAMPUPWRLE-UHFFFAOYSA-N 305.378 1.547 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H]3[C@H](C2)C3(F)F)cc1 1349680557 AHMXVUUMXUODGL-BETUJISGSA-N 323.343 1.092 10 10 DDCE Cc1nc(=NC(=O)c2ccc(C)c(O)c2O)n(-c2ccccc2)[nH]1 1465649144 RXANIJXEMGOERG-UHFFFAOYSA-N 324.340 1.970 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1CS(=O)(=O)C1 1624630558 VIBUFJXHKKYXST-UHFFFAOYSA-N 322.430 1.290 10 10 DDCE CN(C)CCn1cc(NC(=O)Cc2ccc(O)c(O)c2)cn1 1627756974 GRSNNTTXEGGPFQ-UHFFFAOYSA-N 304.350 1.037 10 10 DDCE O=C(NCc1cc(Cl)ccc1O)c1cnn2c(=O)cc[nH]c12 1639965006 AOGIONCNOFOZEG-UHFFFAOYSA-N 318.720 1.312 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1cnc(C2CC2)nc1O 1566358713 KOXVLGZYRRWGCV-UHFFFAOYSA-N 301.302 1.401 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCCN(S(=O)(=O)C[C@H]2CCCO2)C1 1912174060 URWBHYICTLNUME-VXGBXAGGSA-N 302.400 1.908 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](NC(N)=O)C(C)C)c1 1595806477 LLJZCSQBBGGOIM-RNCFNFMXSA-N 309.366 1.271 10 10 DDCE COc1cc([N+](=O)[O-])ccc1C(=O)NCc1c(O)cccc1O 1597574511 OGIZNTBVSMCCCQ-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE CCN(CCO)C(=O)CCNCc1ccc(N(CC)CC)cc1 1857862953 FZAOFENYCYSVKZ-UHFFFAOYSA-N 321.465 1.853 10 10 DDCE CN(NCc1ccc(Br)cc1O)S(C)(=O)=O 1901375762 QOLFJROWDJJIKB-UHFFFAOYSA-N 309.185 1.051 10 10 DDCE CC(C)(C)OC(=O)N1CC(NCc2ccc(O)c(O)c2O)C1 226759597 XSHJAAYVZJCXFQ-UHFFFAOYSA-N 310.350 1.512 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)cc1Br 2136616044 YEWMHCGWGXUXEJ-XDRUHAPNSA-N 324.222 1.636 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)Cc1ccc(N)cc1 1977672938 SDCXZHIEWKDYGV-AWEZNQCLSA-N 319.405 1.937 10 10 DDCE CC1([C@@H]2CCCCN2C(=O)Cc2ccc(O)c(O)c2)OCCO1 2145809854 QBTWGBFLHFXOFY-HNNXBMFYSA-N 321.373 1.784 10 10 DDCE CCOC(=O)CCS(=O)(=O)N(C)Cc1ccccc1O 383937575 KULOPWBXMFQMMJ-UHFFFAOYSA-N 301.364 1.107 10 10 DDCE CN(C[C@H]1CCSC1)S(=O)(=O)Cc1ccc(N)cc1 718392604 HSIYHGGUZHCGRO-GFCCVEGCSA-N 300.449 1.784 10 10 DDCE CCN(c1ccc([C@H](C)N)cc1F)[C@H]1CCS(=O)(=O)C1 387297838 QJTMRILNNPSDPF-JQWIXIFHSA-N 300.399 1.859 10 10 DDCE C[C@@H](c1c(O)cccc1F)n1ncc(S(C)(=O)=O)c1O 2070261610 BCNNIHPLFBQZNI-ZETCQYMHSA-N 300.311 1.446 10 10 DDCE CNCc1ccc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c(F)c1 2170652856 YFQCVFHLVFERTL-GHMZBOCLSA-N 302.415 1.803 10 10 DDCE CNCc1ccc(N2CC[C@H](O)[C@H](O)C2)cc1Br 2068376540 JCMKJWJFMCWCEM-QWHCGFSZSA-N 315.211 1.100 10 10 DDCE Cc1cccc(CNS(=O)(=O)c2ccc(CN)s2)c1O 2204627302 XLDQAXZUBNKUOH-UHFFFAOYSA-N 312.416 1.699 10 10 DDCE C[C@H](NS(=O)(=O)c1nccnc1Cl)c1ccccc1O 2286421466 LXLMAJGOUXGFMU-QMMMGPOBSA-N 313.766 1.875 10 10 DDCE CN(C)S(=O)(=O)[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1 2279280328 KFJUDLAPEOEMKF-GFCCVEGCSA-N 318.826 1.511 10 10 DDCE CNC(=O)c1cncc(/C=C\C(=O)N2CCCc3n[nH]cc32)c1 493323435 OQOVCRUXAVDTOH-PLNGDYQASA-N 311.345 1.157 10 10 DDCE Cc1ccc(CN(C)C[C@H](O)CN)c(O)c1Br 2307566993 LUWUVYACGFLCMJ-SNVBAGLBSA-N 303.200 1.215 10 10 DDCE CC(=O)N(C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc(N)cc1 170318634 QPRHBTKBFSMYAM-XHDPSFHLSA-N 317.389 1.843 10 10 DDCE NCc1ccc(N2CCS(=O)CC2)cc1Br 228149796 YJMOGKCAWVTUCB-UHFFFAOYSA-N 303.225 1.477 10 10 DDCE CCN(CC)S(=O)(=O)Nc1ccnn1-c1ccc(N)cc1 61628853 OWPWATSFFTYIOM-UHFFFAOYSA-N 309.395 1.453 10 10 DDCE NCc1cc(F)c(N2CC3(CC[C@H](CO)O3)C2)cc1Cl 2362006250 YJSAYQWJZICIFX-SNVBAGLBSA-N 300.761 1.668 10 10 DDCE CN[C@H]1C(=O)Nc2cc(N(CCO)Cc3ccccc3)ccc21 302931666 FSLIUDCZLOKYMM-QGZVFWFLSA-N 311.385 1.898 10 10 DDCE CC[C@@H]1CN(C(=O)c2cccc(O)c2O)CCN1CC(F)F 193150750 DURQGLLAGCZFDY-SNVBAGLBSA-N 314.332 1.899 10 10 DDCE COC(=O)COc1ccc(N(C)Cc2nc(N(C)C)no2)cc1 192793623 ZFPQOOIFXNUJKX-UHFFFAOYSA-N 320.349 1.324 10 10 DDCE C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2O)CCS1(=O)=O 191746274 DTNRTPZBTGJPFR-SNVBAGLBSA-N 314.363 1.309 10 10 DDCE COc1ccc(N2CCN(C(=O)c3ccncc3N)CC2)cc1 82320390 IDMYLROGUVNOSO-UHFFFAOYSA-N 312.373 1.635 10 10 DDCE CN(C)c1ccc(/C=C\C(=O)NCCN2CCOCC2)cc1 96803957 QIJNJVZSHZYYOV-YVMONPNESA-N 303.406 1.214 10 10 DDCE COc1ccc(CN2CCC(N3CCCC3=O)CC2)c(O)c1 93088453 LVDJWIIPPKTZGV-UHFFFAOYSA-N 304.390 1.988 10 10 DDCE COc1cccc(CN2C[C@@H](N3CCOCC3)[C@H](C)C2)c1O 245759845 PLTKBNAEBIQPAN-UKRRQHHQSA-N 306.406 1.553 10 10 DDCE Cc1cc(C(=O)N2CC(n3ccnn3)C2)c(C)n1-c1ccccn1 364721466 KNAUIOSRLPXBLY-UHFFFAOYSA-N 322.372 1.778 10 10 DDCE C/C=C/c1ccc(OCC(=O)OCC(=O)C(C)=O)c(OC)c1 808490438 OKLPRLSVBCKHID-SNAWJCMRSA-N 306.314 1.808 10 10 DDCE CC(=O)C(=O)COC(=O)CCCOc1ccc2c(c1)OCO2 808527479 GUWXTRLLNXWDOL-UHFFFAOYSA-N 308.286 1.276 10 10 DDCE COC(=O)[C@@H](C1CC1)S(=O)(=O)N1CCC(N=[N+]=[N-])CC1 2167087108 ISYXMEPVUUULIP-SNVBAGLBSA-N 302.356 1.043 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Nc3ncn(C)n3)C2)cc1 823559666 OAHNEMUPPNTTHG-LLVKDONJSA-N 316.365 1.224 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@H](O)C(C)(C)O)cc1F 900638663 ZAMJQVGGYNJWTM-AWEZNQCLSA-N 312.385 1.420 10 10 DDCE NCc1nc2c(s1)CCN(Cc1cc3c(cc1O)OCO3)C2 903940691 ACINMVCIABGQAM-UHFFFAOYSA-N 319.386 1.594 10 10 DDCE O=[N+]([O-])c1cc(Cl)cc(CNCC[C@@]2(O)CCOC2)c1O 846049690 POVHQJCLBBHQHY-CYBMUJFWSA-N 316.741 1.585 10 10 DDCE COc1ccc(O)c(CNC(=O)NCC[C@@H]2CC(=O)N(C)C2)c1 918745111 CRLCUWDPHFCNDZ-LLVKDONJSA-N 321.377 1.068 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H](C)CO1 911311613 UKZGPBLMBZVKCK-DOMZBBRYSA-N 321.373 1.709 10 10 DDCE COc1ccc(N2CCC(NC(=O)NCCCN)CC2)cc1 841779468 UNGIMGXJSWFMTP-UHFFFAOYSA-N 306.410 1.312 10 10 DDCE C[C@H](CN)CNC(=O)NCc1cc(Br)ccc1O 841963945 XVLPRUGPPQVQJJ-MRVPVSSYSA-N 316.199 1.549 10 10 DDCE C[C@@H](N)[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 851667529 OYZQIIYENPEXSX-CHWSQXEVSA-N 320.437 1.183 10 10 DDCE C[C@H]1C[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)N1C(=O)OC(C)(C)C 1961043497 VBBMBOSZORAWEF-BJDJZHNGSA-N 310.394 1.650 10 10 DDCE CC[C@H](CNC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1961050162 RIYPASZYVSRYIN-IJLUTSLNSA-N 312.410 1.803 10 10 DDCE CC(=O)C(=O)[C@]1(O)C[C@H](CNC(=O)OC(C)(C)C)C12CCC2 1961917028 MEYJRTPSICSWDU-BDJLRTHQSA-N 311.378 1.591 10 10 DDCE COc1ccc2c(c1)NC1(CCNCC1)CN2CC(C)(C)N 76931227 CJPUWQHYQTYSBU-UHFFFAOYSA-N 304.438 1.787 10 10 DDCE C[C@H](NC(=O)NCc1nc(N(C)C)no1)c1ccccc1O 1312679053 DEKDDAVPZRYJBN-VIFPVBQESA-N 305.338 1.402 10 10 DDCE CCN(CCCNCc1c(O)cccc1F)S(C)(=O)=O 1964037528 MQQMZTRFHGVTGJ-UHFFFAOYSA-N 304.387 1.293 10 10 DDCE CN1CCc2c(c(C(=O)O)nn2Cc2ccc(N(C)C)cc2)C1 82808122 MHSOQEGAGYMMPG-UHFFFAOYSA-N 314.389 1.684 10 10 DDCE CC1(C)CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](CO)O1 1469186163 OFISWXHOXRVCFT-GFCCVEGCSA-N 320.349 1.461 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CC[C@H]1C(N)=O 1540567501 OGSVZTZABCLTRC-HZPDHXFCSA-N 315.417 1.757 10 10 DDCE NC(=O)Nc1cccc(C(=O)NCc2c(O)cccc2F)c1 1638858627 ZBLLCHJQNRNVJY-UHFFFAOYSA-N 303.293 1.952 10 10 DDCE C[C@@H](O)CN(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1496844101 PUXDUYWQJZKMTC-LLVKDONJSA-N 321.381 1.234 10 10 DDCE CN(CCS(C)(=O)=O)c1ccc(C=CC(=O)O)cc1Cl 1912029721 UFXGCCZFUFXLGH-UHFFFAOYSA-N 317.794 1.919 10 10 DDCE [N-]=[N+]=NC1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 1912177517 FVGUJDQCLNTFQY-UHFFFAOYSA-N 317.714 1.931 10 10 DDCE CCCO[C@@H]1CS(=O)(=O)C[C@H]1N1CC[C@@H](CN=[N+]=[N-])C1 1912203649 FQVMWYYFOUPJDX-QJPTWQEYSA-N 302.400 1.211 10 10 DDCE COc1ccccc1[C@H](O)C(=O)NCc1cccc(O)c1O 1593744584 QFIUFMFZPUNBPT-HNNXBMFYSA-N 303.314 1.456 10 10 DDCE CCNC(=O)CN(C)c1ccc(CNC)cc1C(F)(F)F 163696485 JVNNUEWQWHZSLE-UHFFFAOYSA-N 303.328 1.997 10 10 DDCE O=C(Nc1nnc([C@@H]2CCCO2)s1)c1cc(O)c(O)c(O)c1 1865876636 XJXUVRYQNDXBRX-VIFPVBQESA-N 323.330 1.759 10 10 DDCE O=S1(=O)C[C@@H]2CN(Cc3ccc(Cl)cc3O)C[C@@H]2C1 1207691772 QMHSOCKDTAKHPU-PHIMTYICSA-N 301.795 1.522 10 10 DDCE C[C@H](O)c1ccc(N2CCC[C@@H]2CS(C)(=O)=O)c(F)c1 2151276255 RXBZLFXRPXHVOV-CMPLNLGQSA-N 301.383 1.892 10 10 DDCE COC(=O)CCS(=O)(=O)N(C)[C@H](C)c1ccccc1O 49063241 BJDVIWPQIBWXEQ-SNVBAGLBSA-N 301.364 1.278 10 10 DDCE CN(C)c1ccc(C=CC(=O)NCCN2CCOCC2)cc1 2041001865 QIJNJVZSHZYYOV-UHFFFAOYSA-N 303.406 1.214 10 10 DDCE CN(CC[S@](C)=O)c1cc2c(cc1Cl)[C@H](N)C(=O)N2 399031029 QBVFKJHZQMNLQH-WLRWDXFRSA-N 301.799 1.107 10 10 DDCE C[C@@H](O)c1cc(F)c(N(C)[C@H]2CCS(=O)(=O)C2)c(F)c1 2194507147 BECCJKOJCZMSLR-SCZZXKLOSA-N 305.346 1.641 10 10 DDCE NC(=O)[C@H]1CC[C@@H](NCc2c(O)cccc2Br)C1 1658115298 SKDGXVDFNLTKBS-DTWKUNHWSA-N 313.195 1.898 10 10 DDCE CO[C@@H]1[C@H](OC)CN(c2ccc(CO)c(Cl)c2)[C@@H]1CO 2233349718 AOHMGESHNALHBK-MCIONIFRSA-N 301.770 1.043 10 10 DDCE NC(=O)[C@@H]1CCC[C@@H](NC(=O)C=Cc2ccc(O)c(O)c2)C1 2308001515 OURZOTGIVXPBRM-VXGBXAGGSA-N 304.346 1.271 10 10 DDCE Cc1ccc(C(=O)NCc2ccnc(N(C)C)c2)c(O)c1O 177671409 BYBFDZONMXMOOP-UHFFFAOYSA-N 301.346 1.797 10 10 DDCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1cnn(C)c1 54289440 GIPGYMFXFNCFQS-UHFFFAOYSA-N 309.329 1.914 10 10 DDCE CN(C)c1ccc(CNC(=O)NC[C@@H]2CCCN2C)cc1F 171191514 GNXJKNWDXAXPJL-ZDUSSCGKSA-N 308.401 1.785 10 10 DDCE CC(=O)N(C(=O)C(=O)N(C)c1ccccc1)c1ccc(N)cc1 170318502 QXXZKNBJSJMXCO-UHFFFAOYSA-N 311.341 1.811 10 10 DDCE CCN(Cc1ccc(N)cc1)c1ccccc1S(N)(=O)=O 37671631 YWIKINXUNWWZIU-UHFFFAOYSA-N 305.403 1.943 10 10 DDCE Cc1cc(CNCc2cc([N+](=O)[O-])ccc2O)nc(N(C)C)n1 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CLMNOUSWWLJFAZ-ZDUSSCGKSA-N 316.741 1.273 10 10 DDCE CC(C)N1C(=O)CN(Cc2cc3c(cc2O)OCO3)CC1(C)C 743379166 LVXHFVMTYXWJHN-UHFFFAOYSA-N 320.389 1.952 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CC[C@@H](C3CC3)N2)cc1 846663966 TVPKAVDUTXERNV-IXDOHACOSA-N 316.449 1.399 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NCCN2CCC(N)CC2)c1 925810747 FVIPTOUENUMIRF-LBPRGKRZSA-N 321.421 1.253 10 10 DDCE COCC(C)(C)NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854299939 MMRRBNKAZJGVPA-ZDUSSCGKSA-N 321.421 1.998 10 10 DDCE COCC[C@@H](COC)NC(=O)NCc1c(O)cccc1F 922537611 GWOPQBHVIRJTDA-JTQLQIEISA-N 300.330 1.382 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)n3cncn3)C2)cc1 855233522 IBZAZYGYJCDRHG-OLZOCXBDSA-N 315.377 1.243 10 10 DDCE COCCOCCN(CCO)Cc1cccc(Cl)c1O 862468307 GRFGRWXQDKGUEU-UHFFFAOYSA-N 303.786 1.503 10 10 DDCE COC(=O)[C@H]1CCCN1c1ccc(CN2CCOCC2)cc1 71702294 HFWGGSFLGXUULF-MRXNPFEDSA-N 304.390 1.661 10 10 DDCE Cc1ccc(O)c(CNS(=O)(=O)c2cnc3n2CCC3)c1 1118878303 YPDRNDZYXDZGJC-UHFFFAOYSA-N 307.375 1.322 10 10 DDCE CN1CCN(c2ccc(CNC(=O)[C@]3(C)CCCO3)cc2)CC1 881850896 JSQTUALTHDPPJR-SFHVURJKSA-N 317.433 1.624 10 10 DDCE CNC(=O)c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1136059114 VVRVQIWJADKHSC-UHFFFAOYSA-N 300.314 1.639 10 10 DDCE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)Cc1ccc(N)cc1 1959369752 HWNAFQPLNNXTGT-NSHDSACASA-N 307.394 1.841 10 10 DDCE C[C@H](NC(=O)c1coc(S(C)(=O)=O)c1)c1ccccc1O 1302538640 XPIYLJDZNUAJIH-VIFPVBQESA-N 309.343 1.880 10 10 DDCE CC(C)CN1C[C@@H](C(=O)NCc2cccc(O)c2O)CC1=O 1263894763 UTTSCPZXONMYIX-LBPRGKRZSA-N 306.362 1.219 10 10 DDCE CC(=O)N1CCC[C@@H](CNC(=O)Cc2ccc(O)c(O)c2)C1 1448860700 JTVSGHDKMNNCCD-ZDUSSCGKSA-N 306.362 1.015 10 10 DDCE Nc1c(C(=O)NCc2c(O)cccc2O)cc(F)cc1[N+](=O)[O-] 1472064406 WHLCVSRILYQSPO-UHFFFAOYSA-N 321.264 1.657 10 10 DDCE C[C@H](NC[C@@H](O)CN(C)CC(F)(F)F)c1ccccc1O 1620504958 INGNXDFZZFQZEE-WDEREUQCSA-N 306.328 1.898 10 10 DDCE O=C(NCc1ccc(N2CCNC2=O)cc1)c1cc(O)cs1 1636728682 WUMUIFXUORNCSM-UHFFFAOYSA-N 317.370 1.913 10 10 DDCE CC(C)[C@H](NC(N)=O)C(=O)NCc1c(O)ccc2c1CCCC2 1631438462 GDNPEZAACNOVEF-HNNXBMFYSA-N 319.405 1.580 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NN1CCc2ccccc2C1=O 1566763891 CMGRHSMHAAVANL-UHFFFAOYSA-N 312.325 1.370 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](N2CCC[C@@H](CN=[N+]=[N-])C2)C1 1912187412 KIMVDLZACPLESX-NWDGAFQWSA-N 301.416 1.433 10 10 DDCE COc1cc(C(=O)N[C@H](C)C[C@@H](C)NC(C)=O)cc(OC)n1 1735563579 LNUSDMSOOIUCKM-NXEZZACHSA-N 309.366 1.132 10 10 DDCE COC(=O)c1cnc(NCc2cc(O)ccc2O)c([N+](=O)[O-])c1 1640350934 VFMDMVOHNVTRMB-UHFFFAOYSA-N 319.273 1.800 10 10 DDCE COc1ccc(CNCCN(C)C(=O)COC(C)C)cc1C 1691271015 AIXRCWYTCUUXSR-UHFFFAOYSA-N 308.422 1.977 10 10 DDCE CCNc1nc(Sc2nccs2)nc(N2CCOCC2)n1 150288962 QQMPNSNOPDOAQQ-UHFFFAOYSA-N 324.435 1.748 10 10 DDCE CN[C@H]1C(=O)Nc2cc(N3CCC(C)(O)CC3)c(Cl)cc21 160495995 MROBKGUHVIOCQB-CYBMUJFWSA-N 309.797 1.904 10 10 DDCE Cc1cccc2c1N(C)C(=O)/C2=C1/SC(=S)N(N)C1=O 3002078 OTVHZNYTJZWFCN-CSKARUKUSA-N 305.384 1.417 10 10 DDCE Cc1ccc(O)c(CNCC(=O)N(C)CCc2ccncc2)c1 1857867868 GGLWNKLORYJIHJ-UHFFFAOYSA-N 313.401 1.886 10 10 DDCE C[C@@H](N)c1ccc(N(C)[C@@H]2CCNC2=O)cc1Br 1916797515 BVKIQBPLPKMYHD-PRHODGIISA-N 312.211 1.794 10 10 DDCE OCc1ccc(N2CC[C@](F)(CO)C2)c(Br)c1 1917141065 NOGOHBJJVWJYGU-GFCCVEGCSA-N 304.159 1.852 10 10 DDCE CC1(NC(=O)c2ccc(O)c(O)c2)CN(C(=O)OC(C)(C)C)C1 1982309763 KHAYFCXQFWCSEN-UHFFFAOYSA-N 322.361 1.837 10 10 DDCE CC(C)(C)OC(=O)NCc1cc(C(=O)N2CC(N=[N+]=[N-])C2)n[nH]1 1985102417 GPKKNZFJKJGOMI-UHFFFAOYSA-N 321.341 1.569 10 10 DDCE CCNC(=O)NCCNCc1cccc(Br)c1O 311242113 ZXWSLGBPXAJYAX-UHFFFAOYSA-N 316.199 1.563 10 10 DDCE NC[C@@H]1CN(Cc2c(O)cccc2Br)CCCO1 706861421 URFJYTFDJLBVGD-SNVBAGLBSA-N 315.211 1.704 10 10 DDCE CNCc1ccc(N2CC(=O)N[C@H](C)C2)c(Br)c1 387036292 QXACKUWMUNMSPW-SECBINFHSA-N 312.211 1.493 10 10 DDCE Nc1ccc(O)c(CNS(=O)(=O)[C@@H]2CCCC[C@@H]2F)c1 2175575346 UGFIPDZXXXQYOR-WCQYABFASA-N 302.371 1.675 10 10 DDCE O=C1N[C@H]2CN(Cc3ccc(Br)cc3O)C[C@@H]2O1 2056806767 DOAVBGVJPGPCFX-ONGXEEELSA-N 313.151 1.447 10 10 DDCE Oc1c(Br)cccc1CN1CCO[C@@H]2COC[C@@H]21 2072494180 QUADIMXLPGXQEN-NWDGAFQWSA-N 314.179 1.754 10 10 DDCE O=C(Nc1nc(Cl)nc(Cl)n1)c1cccc(O)c1O 2088920588 BUJOBKPKSSTSNR-UHFFFAOYSA-N 301.089 1.842 10 10 DDCE CCN(c1ccc(CO)c(OC)c1)[C@H](C)CS(C)(=O)=O 2204543939 URQWTINCZNZNNQ-LLVKDONJSA-N 301.408 1.447 10 10 DDCE C[C@@H](N)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1O 2206705680 NJVXGPMMSRYQDZ-SSDOTTSWSA-N 306.334 1.238 10 10 DDCE CSc1ncc(CNC2C[C@@H]3CS(=O)(=O)C[C@H]3C2)s1 2208839292 JHBCPBKWYWEHTQ-RKDXNWHRSA-N 318.489 1.778 10 10 DDCE O=c1c2c(ccn1C[C@@]1(Br)CC1(F)F)CCNC2 2221295235 FJJBSBAFTZLIDU-NSHDSACASA-N 319.149 1.667 10 10 DDCE COc1cc(N2CCC3(C2)CC2(C3)OCCO2)ccc1CN 2226055097 ZCVFJRGQUCWLJF-UHFFFAOYSA-N 304.390 1.887 10 10 DDCE CCNC(=O)NC(=O)[C@H](C)NCc1cnc(SC)s1 2269092118 DOGVQBWBNSYUFO-ZETCQYMHSA-N 302.425 1.189 10 10 DDCE O=C1C(=Cc2ccc3c(c2)OCO3)SC(=S)N1CCCO 2294874482 GVXUZKSISXVTAC-UHFFFAOYSA-N 323.395 1.999 10 10 DDCE COc1c(O)ccc(C=C2SC(=S)NC2=O)c1[N+](=O)[O-] 2297335706 KYMWKFUCOOTOPD-UHFFFAOYSA-N 312.328 1.798 10 10 DDCE CN(C)c1ccc(CNC(=O)C=Cc2ccnn2C)cc1F 2297412273 XULSAEKSMUOOBA-UHFFFAOYSA-N 302.353 1.955 10 10 DDCE CC(C)c1nncn1CCNC(=O)C=Cc1ccc(O)c(O)c1 2307987885 RRAWRSSMFZNHDP-UHFFFAOYSA-N 316.361 1.642 10 10 DDCE COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C/N(C)C 102668004 BMJJWGHNWNIFAV-NTCAYCPXSA-N 314.385 1.964 10 10 DDCE COc1ccccc1[C@H](O)CNC(=O)Cc1ccc(N)cc1 178418830 HPGBCSJUUJLTLX-OAHLLOKOSA-N 300.358 1.670 10 10 DDCE NS(=O)(=O)Cc1ccc(NCc2ccc(O)cc2O)cc1 37137050 WWDKAYVPMWWKAC-UHFFFAOYSA-N 308.359 1.498 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(CCC(=O)OC)cs1 2365342002 UFPOWFJCYOMHAN-UHFFFAOYSA-N 321.424 1.247 10 10 DDCE C[C@H](NC(=O)N(C)[C@@H](C)CO)c1ccc(N2CCOCC2)cc1 131475053 YCWJFBUJDCGMPY-KBPBESRZSA-N 321.421 1.606 10 10 DDCE COCCNCc1cc(F)c(N(C)CC[C@@H](C)O)c(F)c1 135580683 HATBZRLVZMFJSL-LLVKDONJSA-N 302.365 1.908 10 10 DDCE Cc1cc(NS(=O)(=O)c2ccc(C(=O)O)cn2)ccc1O 148139563 MICTYNTYERDXSJ-UHFFFAOYSA-N 308.315 1.595 10 10 DDCE C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@@H](C)CO 273949638 FHWPXLFPKDQAJI-KBPBESRZSA-N 307.438 1.318 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@]2(CCOC2)C1 274575986 RRUGAXODAOSBEI-ICTCPBKTSA-N 305.330 1.129 10 10 DDCE CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)OCC(=O)C(C)=O 808513358 FCBWEUJAHYBTMU-OAHLLOKOSA-N 315.366 1.771 10 10 DDCE COc1ccc(N2CCN(C(=O)CC3(O)CCC3)CC2)cc1 822196981 FQCNXADFKNZBDV-UHFFFAOYSA-N 304.390 1.649 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCCN=S1(=O)CCCC1 912039893 QRVAUSMLQQWYIT-GQCTYLIASA-N 324.402 1.489 10 10 DDCE CC(=O)NC[C@H]1CN(C/C=C/c2ccc(N(C)C)cc2)CCO1 835028078 JFFOOGFTXKHIHV-WRFKIARRSA-N 317.433 1.603 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](c2cc(O)c(O)c(O)c2)[C@H](CN)C1 687749432 ZIMDZGXSDUIWSG-GHMZBOCLSA-N 324.377 1.713 10 10 DDCE COCC1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CC1 855225001 HITUDYLUVBVRBN-CYBMUJFWSA-N 304.390 1.817 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H](C)CO)C2)cc1 854296633 FLBDUGIQOJVJJP-STQMWFEESA-N 307.394 1.296 10 10 DDCE O[C@@H](CNCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 858227447 UKKKPGKQJISBTH-IRXDYDNUSA-N 306.406 1.153 10 10 DDCE CC(=O)C(=O)COC(=O)CC1CC(NC(=O)OC(C)(C)C)C1 923126649 JLHBNEINGXVTGZ-UHFFFAOYSA-N 313.350 1.381 10 10 DDCE COc1ccc(O)c([C@@H](C)N[C@H]2CCN(CC(C)(C)O)C2)c1 866413963 XPESJHYCNYNQRU-OLZOCXBDSA-N 308.422 1.897 10 10 DDCE Cc1ccc(CNC2CCN(CCC(=O)N(C)C)CC2)c(O)c1 877008058 FBXNHSRKNJSZRS-UHFFFAOYSA-N 319.449 1.733 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COc1ccc(O)cc1 773756649 LTTWGNSYRXXTRD-NSHDSACASA-N 317.341 1.930 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC(CCO)C2)c([N+](=O)[O-])c1 775686600 KYCPHEAWDBNRPY-HWKANZROSA-N 306.318 1.600 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 788541096 QLOOEJAXSLXYNT-QGZVFWFLSA-N 316.405 1.174 10 10 DDCE COC(=O)c1c(CNC[C@H](O)C2CC2)c2cc(F)ccc2n1C 894763872 CNBHJCVHSQBCEJ-HNNXBMFYSA-N 320.364 1.965 10 10 DDCE CO[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1OC 897556381 NWOOHSMPDMAQLS-TXEJJXNPSA-N 323.370 1.798 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNc2ccc(N)cc2)C1 1959366778 MODUOEYVQSACPF-SMDDNHRTSA-N 307.394 1.909 10 10 DDCE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)Cc1ccc(N)cc1 1959369749 HWNAFQPLNNXTGT-LLVKDONJSA-N 307.394 1.841 10 10 DDCE CC(C)(C)OC(=O)NC1CN(CCOc2ccc(N)cc2)C1 1959548398 IYQMPNBATNHHPN-UHFFFAOYSA-N 307.394 1.857 10 10 DDCE CCOC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN=[N+]=[N-] 1885563190 QNIDRDDIIUNPPX-VIFPVBQESA-N 301.347 1.343 10 10 DDCE CN(CCN=[N+]=[N-])C(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 1886235852 BGPYTUYARCBSAT-VIFPVBQESA-N 301.347 1.031 10 10 DDCE Nc1ccc(Cc2nccn2CCCN2CCOCC2)cc1 82734796 VYXYVWGQVMMVJN-UHFFFAOYSA-N 300.406 1.778 10 10 DDCE CC(C)(CNS(C)(=O)=O)NCc1cccc(Cl)c1O 708309235 YFQAJZZUKNKFBC-UHFFFAOYSA-N 306.815 1.463 10 10 DDCE COC(=O)[C@@H]1CC[C@H](NC(=O)NCc2c(O)cccc2F)C1 1332815676 JLJNWTZQHXUGQH-ZJUUUORDSA-N 310.325 1.672 10 10 DDCE CN(CCCF)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1267233910 WZINAUVEODEFTF-UHFFFAOYSA-N 309.345 1.870 10 10 DDCE COc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)c(OC)c1 1290729112 QZXKXCSIFHQHHF-UHFFFAOYSA-N 317.341 1.974 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(C(N)=O)CC1 1463814786 SMHOYIAJPWQUHS-UHFFFAOYSA-N 301.390 1.511 10 10 DDCE Cc1cc(-n2cncn2)ccc1C(=O)NCc1cc(O)ccc1O 1471661578 TZUWWXSJPMGAQM-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE O=C(NCCNC(=O)c1c(F)ccc(O)c1O)c1cccs1 1558959371 QLAHOELNRTVTRL-UHFFFAOYSA-N 324.333 1.458 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCCNC2=O)cc1 1628279580 PPVWPYQGPNPKJB-SNVBAGLBSA-N 303.322 1.105 10 10 DDCE C[C@@H](NC(=O)c1cccc(O)c1O)c1nc(C(F)(F)F)n[nH]1 1636091845 JNBJWYSVXGOJGQ-RXMQYKEDSA-N 316.239 1.726 10 10 DDCE COc1ccc(CCC(=O)NCc2cc(O)ccc2O)cn1 1637130049 VVMVBYKJPBGFFO-UHFFFAOYSA-N 302.330 1.750 10 10 DDCE Cn1ccc(-c2cc(C(=O)NCc3ccc(O)cc3O)no2)n1 1643104194 PPXAEINRDOSAOK-UHFFFAOYSA-N 314.301 1.416 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@@H]2CCO)cc1 1646815688 IMPQIUXIDPRVAA-LBPRGKRZSA-N 306.322 1.072 10 10 DDCE CC(=O)Nc1cccc(NC=C2C(=O)OC(C)(C)OC2=O)c1 14832463 QNLDBMIRKOMNGZ-UHFFFAOYSA-N 304.302 1.777 10 10 DDCE COc1cc(C)cc(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c1O 164347249 SZDWDLHMQUXNSR-NWDGAFQWSA-N 313.419 1.717 10 10 DDCE CCCNCCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 154186440 GUFHFNRMELCSLZ-VMPITWQZSA-N 317.433 1.652 10 10 DDCE CN(C)c1ccc(CNCCC(=O)N2CCC(O)CC2)cc1 1857862821 IHYLNGHIAHBIBU-UHFFFAOYSA-N 305.422 1.216 10 10 DDCE OCc1ccc(N2CC[C@@H](O)[C@H](F)C2)cc1Br 1941015048 FNWQPYHNMWVLFZ-VXGBXAGGSA-N 304.159 1.851 10 10 DDCE CN[C@H](COC)c1cc(I)ccc1O 1951856690 RIEYWKVRYZZKOO-SECBINFHSA-N 307.131 1.904 10 10 DDCE CN(CCN1C(=O)c2ccccc2C1=O)c1ccc(CN)cc1 1954528973 JWLMTDLODQGJOW-UHFFFAOYSA-N 309.369 1.878 10 10 DDCE O=C(c1cc(O)nc(O)c1)N(OCc1ccccc1)C1CNC1 1982826623 KKNWKFQHLCVHAG-UHFFFAOYSA-N 315.329 1.039 10 10 DDCE C[C@H](N)c1ccc(N2CC(F)(CO)C2)c(Br)c1 2005097588 GDCDYBQXTXHLAL-QMMMGPOBSA-N 303.175 1.989 10 10 DDCE CN(C(=O)[C@@H](CCO)NC(=O)OC(C)(C)C)c1ccc(N)cc1 1990010062 HYODUNZZFIVHDE-CYBMUJFWSA-N 323.393 1.507 10 10 DDCE Cc1cccc(CNC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1O 1994456120 HIKGSGLZNHKNEI-LBPRGKRZSA-N 324.377 1.202 10 10 DDCE CN1CCN(c2ccc(CO)cc2Br)C[C@H]1CO 687596657 ZWLXDZSNSKZXJK-NSHDSACASA-N 315.211 1.054 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC[C@@H](O)C3CCCC3)c2n1 2064748893 GVTPWFWJSLCPEH-GFCCVEGCSA-N 304.350 1.024 10 10 DDCE CCC1(O)CCC(NC(=O)c2cnn3c(O)cc(C)nc23)CC1 2065063885 HQGAZUFMKOUGCK-UHFFFAOYSA-N 318.377 1.557 10 10 DDCE CN[C@@H](C)c1ccc(N2CC[C@H](S(C)(=O)=O)C2)c(F)c1 2179927035 SEZAQYWXXFUKSP-JQWIXIFHSA-N 300.399 1.729 10 10 DDCE C[C@H](N)c1ccc(N2CC[C@@H](O)[C@H](O)C2)cc1Br 2068371365 VTXCSORRHMQZQB-ZEGGKSINSA-N 315.211 1.401 10 10 DDCE Oc1cccc(Br)c1CN1CCO[C@H]2COC[C@H]21 2072498397 YPGNSUSNXVCWMZ-YPMHNXCESA-N 314.179 1.754 10 10 DDCE CCNCc1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1Cl 2205613041 OQTCAIQUQYTQTQ-MELADBBJSA-N 302.777 1.329 10 10 DDCE CSc1ncc(CNC(=O)NC2CC(C(=O)O)C2)s1 2269140463 YVDJBJMTRCDSNN-UHFFFAOYSA-N 301.393 1.527 10 10 DDCE CNCc1cnc(Sc2nnnn2CC(F)(F)F)s1 2225653524 HZCBTCFFRMVLNX-UHFFFAOYSA-N 310.330 1.563 10 10 DDCE Oc1c(Br)cccc1CN[C@@H]1COC2(COC2)C1 2258421200 JEOZGVITNOTARO-JTQLQIEISA-N 314.179 1.802 10 10 DDCE CSc1ncc(CN=c2nc(Cl)nc(N(C)C)[nH]2)s1 2269278761 OPUDBZHJVAJEGL-UHFFFAOYSA-N 316.843 1.803 10 10 DDCE CCOC(=O)CC1=NNC(=O)C1=CNc1ccc([N+](=O)[O-])cc1 2294887249 RJYNGDJFGBMQNF-UHFFFAOYSA-N 318.289 1.330 10 10 DDCE CCN(C(=O)C=Cc1cncc(C(=O)NC)c1)c1ccncc1 2297599089 VUSUPAHGKGXDBM-UHFFFAOYSA-N 310.357 1.903 10 10 DDCE CCCC(=O)NCC(=O)NCc1ccc(N2CCCC2)cc1 54775760 NONMZBIIKIVEPD-UHFFFAOYSA-N 303.406 1.819 10 10 DDCE CCCN(c1ccc(N)cc1)S(=O)(=O)CCOCCF 2365570845 JGQODOVXVSHHJW-UHFFFAOYSA-N 304.387 1.801 10 10 DDCE COc1ccc(O)c(CNC(=O)[C@H]2CCCc3[nH]ncc32)c1 136873766 QYXMZIYOLIVGHN-LBPRGKRZSA-N 301.346 1.860 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 82320333 BUXUUWFXDQWUOR-INIZCTEOSA-N 303.406 1.438 10 10 DDCE COc1ccc(N2CCN(C(=O)NC(=O)C3CC3)CC2)cc1 82340238 JKKQDFYDRSQJBK-UHFFFAOYSA-N 303.362 1.463 10 10 DDCE COc1ccc(N2CCCN(C(=O)CC[C@H](C)N)CC2)cc1 193303039 POVJUYZIIIKZOU-AWEZNQCLSA-N 305.422 1.861 10 10 DDCE CNCc1ccc(N2CC[C@H](C(N)=O)C2)c(Br)c1 234374443 VHDWBHXMABDCOM-JTQLQIEISA-N 312.211 1.480 10 10 DDCE CCOc1cccc(CN2CCC(S(N)(=O)=O)CC2)c1O 369045177 FIQJLSFXRXVWOC-UHFFFAOYSA-N 314.407 1.044 10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NCCCN2CCOC2=O)c1 273609701 VNBYXXKRBXZILH-LLVKDONJSA-N 322.361 1.672 10 10 DDCE Oc1c(Br)cccc1CNCCN1CCCO1 2213549468 SOMATSPTASKLSD-UHFFFAOYSA-N 301.184 1.882 10 10 DDCE C[C@@H](NC(=O)C1(C(=O)N(C)C)CC1)c1ccc(N(C)C)cc1 807274641 XUNLEQPUZPLWJH-GFCCVEGCSA-N 303.406 1.798 10 10 DDCE C[C@H](NCC(C)(C)CS(C)(=O)=O)c1cc(O)ccc1O 723879147 LOFSRQKHKSYLMN-JTQLQIEISA-N 301.408 1.819 10 10 DDCE O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1CCn2ccnc21 819170025 RYLMDTIKHYTOSN-GFCCVEGCSA-N 312.329 1.498 10 10 DDCE CN1CCN(C)[C@@H](CNC/C=C/c2ccc(N(C)C)cc2)C1 835038893 DEIRRVXOWXDVAG-QWNKOJSDSA-N 302.466 1.601 10 10 DDCE CN1CC[C@H](CC(=O)N(CC(=O)O)Cc2ccccc2O)C1 911487258 CGYVUMDKNWWZTK-GFCCVEGCSA-N 306.362 1.147 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)CCC(=O)OC 843488423 YOLJXUMRBQTHCE-OAHLLOKOSA-N 321.421 1.382 10 10 DDCE C[C@H](NC(=O)N1CCO[C@@H]([C@H](C)O)C1)c1ccc(N(C)C)cc1 840354742 OQXZNHBDHPUSQK-HEHGZKQESA-N 321.421 1.605 10 10 DDCE Cc1cc(N(C)C)ccc1CN(C)[C@H]1CCN2CCO[C@H]1C2 840948355 DLKBJDLQUOBCCS-ROUUACIJSA-N 303.450 1.966 10 10 DDCE CC(C)(C)n1nnc(CC(=O)NCc2c(O)cccc2F)n1 928705715 LLADWDRXQRJVHW-UHFFFAOYSA-N 307.329 1.132 10 10 DDCE C[C@@H](NCCc1nnnn1C)c1cc2c(cc1O)CCCC2 756674926 DHVDAORMSDAKNP-LLVKDONJSA-N 301.394 1.688 10 10 DDCE COC[C@H](OC)C(=O)NCc1cc(Br)ccc1O 854442248 LONWHWWAYLSEKE-NSHDSACASA-N 318.167 1.432 10 10 DDCE C[C@H](NC[C@H](O)CS(C)(=O)=O)c1ccc(Cl)cc1O 927029380 ZTMJTSULZOWXAF-WPRPVWTQSA-N 307.799 1.102 10 10 DDCE COc1ccnc(OC)c1C(=O)N1Cc2cccc(O)c2C1 871206581 AVQFCBICWKNSHV-UHFFFAOYSA-N 300.314 1.960 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@@H]2COC(=O)N2)cc1F 773955836 MHQANUAHFHUEGH-LBPRGKRZSA-N 309.341 1.397 10 10 DDCE O=C(O)c1conc1CNCc1ccc(N2CCOCC2)cc1 1118303375 RQMROGUMZAJGQX-UHFFFAOYSA-N 317.345 1.499 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@H](c3ncon3)C2)c(O)c1O 1156093981 ATENWBPHXKKJPC-JTQLQIEISA-N 303.318 1.809 10 10 DDCE CCCN(Cc1ccccc1O)c1nnnn1C[C@@H]1CCCO1 1334464079 UYPJLMXFYJCYBR-AWEZNQCLSA-N 317.393 1.974 10 10 DDCE CN(c1ccc(CN)cc1F)[C@@H]1CCCS(=O)(=O)CC1 694215591 UBMAUEKMIRMXRO-GFCCVEGCSA-N 300.399 1.688 10 10 DDCE CN1CCN(c2ccc(CNCC34CC(CN3)C4)cc2F)CC1 1350455100 OBYQEAZREJHUHX-UHFFFAOYSA-N 318.440 1.419 10 10 DDCE C[C@H](C1CCN(C)CC1)N(C)C(=O)Cc1ccc(O)c(O)c1 1446298827 ZKWOAIDCYUAGOW-GFCCVEGCSA-N 306.406 1.829 10 10 DDCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)N1CCCC[C@@H]1C 1292968454 PQAPHWWTANWPDJ-RYUDHWBXSA-N 320.389 1.546 10 10 DDCE NC(=O)CC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1 1451738435 OPZPVVMGXSBRDJ-UHFFFAOYSA-N 303.322 1.234 10 10 DDCE COc1cc(CO)ccc1C(=O)NCCc1ccc(O)c(O)c1 1465981264 HACUWVDLERJTHU-UHFFFAOYSA-N 317.341 1.571 10 10 DDCE C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)CCO1 1473895318 GVTYKSSHJOIKDC-HUUCEWRRSA-N 319.449 1.868 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)CCc1ccccc1 1638435658 NABSCICJPLJOGQ-HNNXBMFYSA-N 315.369 1.750 10 10 DDCE COC(=O)c1cc(C(=O)N[C@H](C)c2cc(OC)ccc2O)no1 1631543939 YUTOOZQBWDLCMT-MRVPVSSYSA-N 320.301 1.666 10 10 DDCE COC(=O)[C@H](COC1CCC1)N(C)C(=O)c1cccc(O)c1O 1566401686 NOHRGSBFEXDSMJ-LBPRGKRZSA-N 323.345 1.281 10 10 DDCE O=C(NCc1cc(O)ccc1O)C1(n2cnnn2)CCCCC1 1644753898 LUEHFHNVKYRRFK-UHFFFAOYSA-N 317.349 1.060 10 10 DDCE CCCCC(=O)N1CCN(C(=O)c2cc(O)c(O)c(O)c2)CC1 169824388 ZXBCDFJQUDFCEW-UHFFFAOYSA-N 322.361 1.278 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc([C@@H](N)[C@@H](O)C(=O)O)c1O 1952683755 ZONWCRNFALFJNM-MWLCHTKSSA-N 312.322 1.185 10 10 DDCE CO[C@H]1CN(Cc2c(O)cccc2Br)C[C@H]1N 2009269436 JHQHITHLFPULCV-PWSUYJOCSA-N 301.184 1.313 10 10 DDCE Nc1ccc(OCCS(=O)(=O)N2C[C@H]3C[C@H]2CS3)cc1 321520007 CQVZXTRKCIYDTQ-WCQYABFASA-N 314.432 1.167 10 10 DDCE CO[C@@](C)(CO)CNCc1c(O)cccc1Br 706863790 NFAXIMFRJIJXIU-GFCCVEGCSA-N 304.184 1.642 10 10 DDCE Cn1ncnc1CNCc1cc(Br)cc(F)c1O 715712180 JLIOLQBOVUAMJL-UHFFFAOYSA-N 315.146 1.712 10 10 DDCE C[C@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCNC2)c2ccccc2O1 2062230071 FKAUGHSBMMTERT-NWDGAFQWSA-N 312.373 1.914 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)C[C@H]3CCCOC3)c2n1 2062720624 SGICWGFQLPYGOW-LLVKDONJSA-N 304.350 1.242 10 10 DDCE CCOC(=O)CCCS(=O)(=O)NCc1ccc(N)cc1 2178710127 SRVHWLPZLWMWPJ-UHFFFAOYSA-N 300.380 1.032 10 10 DDCE Cn1c(Br)nnc1CNCc1ccc(O)c(O)c1 2057835355 KUBTUVAYARCAAN-UHFFFAOYSA-N 313.155 1.279 10 10 DDCE CO[C@@H]1C[C@@H](NCc2cc(Br)ccc2O)C[C@@H]1O 2067189511 QMUSKJZMOBNIAY-WCFLWFBJSA-N 316.195 1.783 10 10 DDCE Nc1cc2c(cc1N1CC[C@@H](C3OCCO3)C1)CCC(=O)N2 2089613686 JNRMAVSJUWDXHS-LLVKDONJSA-N 303.362 1.353 10 10 DDCE CCC[C@@H]1NC(=O)CCN(Cc2cnc(SC)s2)C1=O 2284666456 PCNAUEAVCNOJEH-JTQLQIEISA-N 313.448 1.882 10 10 DDCE CC(C)c1ccc([C@H](C)NC=C2C(=O)NC(=S)NC2=O)cc1 60864637 BEXGPIYBWCMSAQ-JTQLQIEISA-N 317.414 1.875 10 10 DDCE CN(C)c1ccc(CNC(=O)Cc2csc(CN)n2)cc1 71696112 YIRMMZYBXMYXPR-UHFFFAOYSA-N 304.419 1.527 10 10 DDCE C[C@H](NCCCCCCS(N)(=O)=O)c1ccccc1O 2364250330 LSSHQGBOOBMZQK-LBPRGKRZSA-N 300.424 1.892 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(C)CCC(=O)NC1 369182040 DQBOEBZDTNIBEE-QGZVFWFLSA-N 317.389 1.394 10 10 DDCE CC(=O)C(=O)COC(=O)CCc1nnc(-c2ccsc2)o1 808500102 DHBVLUKUTWFYKC-UHFFFAOYSA-N 308.315 1.432 10 10 DDCE C[C@@H](NC1COCCOC1)c1ccc(N2CCOCC2)c(F)c1 813881138 UPURDNNWBRCGNQ-CYBMUJFWSA-N 324.396 1.728 10 10 DDCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)C(C)(C)O 900292778 JYKFUUKOCRTFFZ-OAHLLOKOSA-N 308.422 1.621 10 10 DDCE CS(=O)(=O)CC[C@H]1CCCCN1C(=O)c1cc(O)cs1 832524099 KZEBUFIEABXAJC-SNVBAGLBSA-N 317.432 1.883 10 10 DDCE Cc1cc(CC(=O)N(C)CCC(N)=O)c(C)n1-c1ccccc1 854442135 HUJLLSNAKBSXAL-UHFFFAOYSA-N 313.401 1.970 10 10 DDCE CCOC(=O)C(F)(F)n1cc(COc2ccc(N)cc2)nn1 864643175 BZVMUPINBMQNRN-UHFFFAOYSA-N 312.276 1.552 10 10 DDCE CN1CCN(c2ccc(CN3CCO[C@H](CCF)C3)cc2)CC1 862530784 SVAAIUXTJXXZMO-GOSISDBHSA-N 321.440 1.999 10 10 DDCE COC(=O)[C@@H]1O[C@@H](C(=O)NCc2cc(C)ccc2O)C[C@H]1C 869411562 WPSCJKLOUKRWJO-LERXQTSPSA-N 307.346 1.283 10 10 DDCE Nc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@H]2C2CCOCC2)cc1 868302278 XTQRQWLHXQRVOO-WFASDCNBSA-N 317.389 1.386 10 10 DDCE Cc1ccc(CNC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c(O)c1 877075398 BDIUQMCMLJRKPV-GUYCJALGSA-N 317.389 1.511 10 10 DDCE COc1ccc(O)c(CNC(=O)C2CN(C3CCOCC3)C2)c1 896360375 CIVGQJCVPNYNQB-UHFFFAOYSA-N 320.389 1.128 10 10 DDCE Cc1cc(Cl)cc(CN2CC[C@@H](S(N)(=O)=O)C2)c1O 785986783 XXSXWXPWFASFKE-LLVKDONJSA-N 304.799 1.217 10 10 DDCE CCN1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O 897901770 GNVZWJDRZHDBSX-SECBINFHSA-N 320.370 1.663 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc2c(c1)CCNC2=O 1300679880 MKNGLQXUOQTBTL-UHFFFAOYSA-N 312.325 1.565 10 10 DDCE O=C(NCc1noc2c1COCC2)c1c(F)ccc(O)c1O 1306900240 UECLERBFCYISRZ-UHFFFAOYSA-N 308.265 1.228 10 10 DDCE CN(Cc1cccc(Br)c1O)[C@H]1CCCNC1=O 1963340080 ZCWVZHBPAFARFU-NSHDSACASA-N 313.195 1.865 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN1CCO[C@H]2CNC[C@H]21 686545908 PCUYFUHFHNQOTN-NEPJUHHUSA-N 303.189 1.872 10 10 DDCE CC1(C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1(C)C 1332017864 AMYOMOHVHXMPEC-UHFFFAOYSA-N 302.374 1.881 10 10 DDCE C[C@@H]1CN(S(=O)(=O)Cc2ccc(N)cc2)C[C@@H](C)S1 70382493 ODDYBMNPYGVEIQ-GHMZBOCLSA-N 300.449 1.924 10 10 DDCE C[C@H]1[C@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C 1332351008 BBTONAALCIMKAX-WMLDXEAASA-N 320.456 1.760 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cccc([N+](=O)[O-])c1O 1451773499 YIQSQTXSNBURQT-UHFFFAOYSA-N 304.258 1.642 10 10 DDCE C[C@H]1CC(=O)N[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 1614951694 FPHYVGNEXTVDSX-YPMHNXCESA-N 317.389 1.393 10 10 DDCE CCOC(=O)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1621161430 JMUXPBFRVPOISM-SECBINFHSA-N 306.322 1.778 10 10 DDCE CC[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H](C)[S@]1=O 1556555385 FVKDHGHSULJTHE-NNJUXLKUSA-N 311.403 1.398 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc(-c2cn[nH]c2)cn1 1645362954 GULRCIJVGDOSAM-UHFFFAOYSA-N 310.313 1.813 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)C(C)(C)C(N)=O)cc1C 1699366650 RBHVTHCVEAJFDZ-GFCCVEGCSA-N 321.421 1.109 10 10 DDCE COCCN(CCO)c1cc(OC)c(OC)cc1[N+](=O)[O-] 164560541 FXKSLKOEDMAZMD-UHFFFAOYSA-N 300.311 1.057 10 10 DDCE Cc1ccc(/C=C2/SC(=S)N([C@H](CO)C(=O)O)C2=O)cc1 1858595728 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COCCCCS(=O)(=O)NCc1ccc(N(C)C)c(F)c1 133980490 CUKQKEBNXCFMIL-UHFFFAOYSA-N 318.414 1.738 10 10 DDCE Cc1ccc(N(C)C(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 255721404 VMEGLRWCRQMLJZ-YFHOEESVSA-N 313.357 1.069 10 10 DDCE NCc1ccc(N2CC[C@@H](NC(N)=O)C2)c(Br)c1 700695348 DYWPJUQGNJNRSH-SECBINFHSA-N 313.199 1.155 10 10 DDCE C[C@@H]1COCC[C@@H]1NCC(=O)NCc1ccc(N(C)C)cc1 277631319 YZVLQKNCIIWVJQ-CJNGLKHVSA-N 305.422 1.383 10 10 DDCE COc1cc(O)c(CN2CCO[C@@]3(CCCOC3)C2)cc1OC 285221067 XYTDPDLPBPSXMD-KRWDZBQOSA-N 323.389 1.791 10 10 DDCE CCOc1ccc(OC(C)(C)C(=O)OCC(=O)C(C)=O)cc1 808497396 NYEPOGZKBIESAJ-UHFFFAOYSA-N 308.330 1.944 10 10 DDCE CO[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)[C@H]1CCOC1 824676411 JXWDOCYNIXZCLZ-RDJZCZTQSA-N 318.417 1.737 10 10 DDCE C[C@@H](C(N)=O)n1nc(Cc2ccc(N)cc2)c2ccccc2c1=O 821186393 FEHFXZYXLKNKJN-NSHDSACASA-N 322.368 1.616 10 10 DDCE OCCN1CCCC[C@@H]1CNCc1cc2c(cc1O)OCO2 824583738 POMRSAVAYNJPOB-CYBMUJFWSA-N 308.378 1.057 10 10 DDCE COC(=O)[C@]12C[C@H](N)C[C@H]1CN(Cc1cccc(F)c1O)C2 903978653 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321.421 1.093 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3C(N)=O)c(Br)c1 2136610232 BVWLEIJKGNDZBJ-PZWLIILKSA-N 324.222 1.636 10 10 DDCE Oc1ccc(I)cc1[C@@H]1NCC[C@@H]1O 1952068766 PPAFASGSZNCTKD-UWVGGRQHSA-N 305.115 1.392 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@]1(C(=O)O)c1cccc(O)c1O 1952676751 WVCVDTZWFOTQST-BMIGLBTASA-N 309.318 1.717 10 10 DDCE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(O)c(O)c2)CC1 1982312120 XBZWLWSZCDCNRO-UHFFFAOYSA-N 322.361 1.885 10 10 DDCE Cc1cccc(O)c1CN[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1985826529 ANFIGPIWRNKMBA-DZGCQCFKSA-N 322.405 1.770 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(N)cc1 1993235624 PJMPPXBZQDISRN-CHWSQXEVSA-N 321.377 1.578 10 10 DDCE NCc1cc(F)c(N(CCO)CCCO)cc1Br 385376951 VQVZOSGOPBOXOL-UHFFFAOYSA-N 321.190 1.228 10 10 DDCE C[C@H]1[C@@H](C)S(=O)(=O)CCN1c1ccc([C@@H](C)N)cc1F 2170278531 TYWDYAGXJSVTNI-OUAUKWLOSA-N 300.399 1.857 10 10 DDCE CN(C[C@@H]1CCCS1(=O)=O)c1cc(Cl)c(CN)cc1F 2177380392 DMVOODKNJKECQZ-JTQLQIEISA-N 320.817 1.951 10 10 DDCE CN[C@@H](c1ccc(N(C)C)cc1)c1nn(C)nc1Br 2111452941 PEAXORKVFMXKMC-NSHDSACASA-N 324.226 1.952 10 10 DDCE COCCOCCOCCSc1ncc([C@H](C)N)s1 2231743843 GESKFYRQISUTGM-JTQLQIEISA-N 306.453 1.935 10 10 DDCE Cn1cc(NCc2ccc(O)c(O)c2O)c(Br)n1 2223020793 VJPVBCWNOWDXHV-UHFFFAOYSA-N 314.139 1.912 10 10 DDCE COC(=O)CCN1C(=O)/C(=C\c2ccccn2)SC1=S 100282727 XFMDOLFYFNWMCJ-CSKARUKUSA-N 308.384 1.846 10 10 DDCE COC[C@@H](O)CCNC(=O)c1c(C)oc(-n2cccc2)c1C#N 305741839 SHLJSLXOCHJEFD-LBPRGKRZSA-N 317.345 1.378 10 10 DDCE COc1ccc(S(=O)(=O)NCc2cc(N)ccc2O)cc1 36742791 SPIXCSXWKAHSFR-UHFFFAOYSA-N 308.359 1.462 10 10 DDCE Cc1ccc(O)c(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c1 124505872 RSEHELPADCGPON-OAHLLOKOSA-N 318.417 1.771 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)C[C@H]2CCCCO2)C1 2364102149 XZCUBWYLCVSPQU-NWDGAFQWSA-N 302.400 1.908 10 10 DDCE CN1C[C@@H](CCN2CCNCC2)c2cc3c(cc21)OCCO3 527415204 APWFVIGXKVAQRL-CYBMUJFWSA-N 303.406 1.287 10 10 DDCE C[C@@H]1C[C@@H](N[C@H]2CCC(=O)N(C)C2=O)c2c(O)ccc(F)c21 818362064 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1.674 10 10 DDCE Cc1cc(C)c([C@H](C)NC[C@@]2(OCCO)CCOC2)c(O)c1 850507053 HURCKGXNDAEAHM-YOEHRIQHSA-N 309.406 1.828 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CC[C@H]3COC[C@H]3C2)cc1 852668034 UNQUWXGDHBFULU-JKSUJKDBSA-N 317.433 1.337 10 10 DDCE C[C@@H](CN1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccccc1O 868371809 HIKBKFBGMXUMRH-KBPBESRZSA-N 320.437 1.388 10 10 DDCE COc1ccc(CNC(=O)c2nc([C@H]3C[C@@H]3C)no2)c(O)c1 865988063 MJKLLSDXVKMRJQ-KWQFWETISA-N 303.318 1.837 10 10 DDCE C[C@@H]1O[C@H](C)C[C@@H]1C(=O)NCc1ccc(N2CCOCC2)cc1 864984018 CSJAXZHPLNOPAU-KEYYUXOJSA-N 318.417 1.953 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)c1 862756168 RSGHEAFUAVPRQL-JOAVENAKSA-N 309.365 1.644 10 10 DDCE COC(=O)[C@@H]1O[C@@H](C(=O)N(C)Cc2ccccc2O)C[C@H]1C 866597449 STTUACNEKWVPBW-LERXQTSPSA-N 307.346 1.317 10 10 DDCE CC[C@@H](NC[C@@]12COCCN1C(=O)OC2)c1ccccc1O 866521583 NRVWQTOXGFNVBO-CJNGLKHVSA-N 306.362 1.654 10 10 DDCE C[C@@H](NC(=O)[C@H](O)Cc1cnn(C)c1)c1ccc(N(C)C)cc1 787300600 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CCOC(=O)C1(NC(=O)Cc2ccc(O)c(O)c2)CCCC1 1542288669 SYCDJOZBUJFEFQ-UHFFFAOYSA-N 307.346 1.632 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)c1c(F)cccc1F 1546111351 FYZJROZSQVIKOL-GFCCVEGCSA-N 323.295 1.768 10 10 DDCE CC(=O)NCc1cccc(C(=O)NCc2c(O)cccc2O)c1 1558534518 SPTYKUUVQHUHMA-UHFFFAOYSA-N 314.341 1.664 10 10 DDCE Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)Cc1ccccc1O 1631154904 LSSNRRUHXNYUJC-UHFFFAOYSA-N 304.306 1.464 10 10 DDCE Cc1nnc2n[nH]c(NC(=O)Cc3ccc(O)c(O)c3)c2c1C 1635126084 SIPGDNQVYYEWTH-UHFFFAOYSA-N 313.317 1.562 10 10 DDCE CC(C)[C@H](C(=O)NCc1c(O)cccc1O)N1CCCC1=O 1645360589 DRVIJZBUHXJHON-OAHLLOKOSA-N 306.362 1.361 10 10 DDCE COC(=O)c1ncoc1CCC(=O)NCc1c(O)cccc1F 1646034118 GXVQOYUBMQWBRV-UHFFFAOYSA-N 322.292 1.555 10 10 DDCE O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCNC1 165418609 RKKUGCDYTYWNII-OAHLLOKOSA-N 319.474 1.856 10 10 DDCE CC[C@H](Nc1cnn(CC(=O)NCCO)c1)c1ccccc1O 157906167 HZKWTCDFVAGAPH-AWEZNQCLSA-N 318.377 1.260 10 10 DDCE O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cc(O)c(O)c(O)c1 1865876228 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COc1ccc([C@@H](C)n2ncc(S(C)(=O)=O)c2O)c(O)c1 2070258280 CIZJEYSRAGCXCX-MRVPVSSYSA-N 312.347 1.316 10 10 DDCE O=C(NC1CC1)c1cnn(Cc2c(O)cccc2Cl)c1O 2070505931 MQHPPXDVNVGJSJ-UHFFFAOYSA-N 307.737 1.888 10 10 DDCE OCc1ccc(N2C[C@@H](F)[C@H](CO)C2)cc1Br 1907653213 SONNXNBWEWUBMI-JOYOIKCWSA-N 304.159 1.708 10 10 DDCE C[C@@H](O)c1ccc(N2CC(NC(N)=O)C2)c(Br)c1 2044811642 BGOWZJOPYLBGAZ-SSDOTTSWSA-N 314.183 1.359 10 10 DDCE C[C@H]1C[C@H](COc2nnc(=N)[nH]n2)CCN1C(=O)OC(C)(C)C 2210648741 DAZKOFOAEIAJEI-VHSXEESVSA-N 324.385 1.094 10 10 DDCE COC(=O)CCNCc1c(Br)ccc(OC)c1O 2220446289 ANRKAXFBHWXXLV-UHFFFAOYSA-N 318.167 1.816 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H](C)[C@@H]2C(=O)O)s1 2269135221 SIBWBDWISYYRFF-POYBYMJQSA-N 301.393 1.480 10 10 DDCE CO[C@H](CCNC(=O)NCc1cnc(SC)s1)C(=O)O 2284504354 LTUMUGRSYOJWKV-MRVPVSSYSA-N 319.408 1.154 10 10 DDCE CSc1ncc(CNC[C@H](O)COC[C@H]2CCCO2)s1 2284638938 SOEPTDKZZWLASF-WDEREUQCSA-N 318.464 1.511 10 10 DDCE Oc1ccc(Br)cc1CN[C@H]1CCC[C@@H](O)[C@H]1O 2312192568 ZZDIODKLBUAVJM-UHTWSYAYSA-N 316.195 1.519 10 10 DDCE Cc1ccc(CN(C)C(=O)[C@@H]2CCN2)c(O)c1Br 2327598766 HALLXKSYEOAILY-JTQLQIEISA-N 313.195 1.783 10 10 DDCE COc1ccc(N2CCN([C@H](CN)C(F)(F)F)CC2)cc1 37169521 PLJOADWDGCOELJ-CYBMUJFWSA-N 303.328 1.707 10 10 DDCE C[C@]1(C(F)(F)F)NC(=O)N(CCc2ccc(N)cc2)C1=O 71196492 LVRIVCIIGXZRAF-LBPRGKRZSA-N 301.268 1.684 10 10 DDCE CCNCc1ccc(OC)c(CS(=O)(=O)CCCOC)c1 81985944 ODDGASUJGLSKEZ-UHFFFAOYSA-N 315.435 1.756 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@H](O)C2)c(Br)c1 235514534 PEEGLKVRHOPHBY-UPZJHPNMSA-N 301.184 1.011 10 10 DDCE CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cccc(O)c3O)[C@H]2C1 365756387 DYZZQAWRCLNFEP-OSMZGAPFSA-N 307.346 1.506 10 10 DDCE COc1ccc2c(c1)CCN2Cc1cnnn1[C@@H]1CCCNC1 903873570 SQLFBHOSKHBFJU-CQSZACIVSA-N 313.405 1.774 10 10 DDCE CNC(=O)N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1 835026835 XRKMPPHNVGYKCI-SNAWJCMRSA-N 302.422 1.723 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCN([C@H]3CCNC3)CC2)cc1 843124534 GOTPMAZTHLCXFB-LLHWWHOWSA-N 314.477 1.745 10 10 DDCE CO[C@@](C)(CO)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 847356247 QBRJNBDTOGBENR-MLGOLLRUSA-N 309.410 1.510 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CSC(=O)N3)C2)cc1 855230427 DDJOBUYJFIZHLB-GXFFZTMASA-N 321.402 1.215 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@]3(C)CCOC3)C2)cc1 855223587 ASWZCDSIUDTSSA-GUYCJALGSA-N 304.390 1.817 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C(=O)O)C(C)C)C2)cc1 852955024 ZZXWVXNJBODMNA-DOMZBBRYSA-N 320.389 1.747 10 10 DDCE Cc1cc(O)c(CNC[C@@]23COCCN2C(=O)OC3)cc1C 865769706 LTMWZDPBRSFHKM-INIZCTEOSA-N 306.362 1.320 10 10 DDCE C[C@H](NC(=O)NCC(=O)N1CCCCC1)c1ccccc1O 868099576 ISFQFXAQVKHFFF-LBPRGKRZSA-N 305.378 1.765 10 10 DDCE Cc1cc(O)c(CNCC(C)(C)CS(N)(=O)=O)c(Cl)c1 865813828 JHZQGKPYCWPIRL-UHFFFAOYSA-N 320.842 1.758 10 10 DDCE COCc1noc(COc2ccc(N(C)C)c(C(=O)OC)c2)n1 865395497 SNIMXZAUSVYBTI-UHFFFAOYSA-N 321.333 1.648 10 10 DDCE O=C1OCC[C@H]2CN(Cc3cc4c(cc3O)CCC4)CCN12 763322250 RWTRKLMDYXIFPP-HNNXBMFYSA-N 302.374 1.907 10 10 DDCE Cc1cc(CC(=O)NC[C@H](O)[C@H](C)O)c(C)n1-c1ccccc1 871142636 JGFDCRFPMXGNPF-YOEHRIQHSA-N 316.401 1.495 10 10 DDCE O=C(N[C@H](CO)c1cc(F)ccc1F)c1cccc(O)c1O 1305535494 OUANXNKLFRWPQI-GFCCVEGCSA-N 309.268 1.839 10 10 DDCE Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(N)o3)C2)c(O)c1O 1168469275 KRGVEYVANMHXRV-SECBINFHSA-N 318.333 1.391 10 10 DDCE CCC(=O)N(C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1285348017 QFJIERATZHRCHT-UHFFFAOYSA-N 319.365 1.789 10 10 DDCE O=C(NCc1cnc(C(F)(F)F)nc1)c1cccc(O)c1O 1453343658 BUEGQFHTUFRDFD-UHFFFAOYSA-N 313.235 1.837 10 10 DDCE Cn1c(C(=O)NCc2cc(O)ccc2O)cc(=O)c2ccccc21 1643881731 COXWZWZHMGIWMO-UHFFFAOYSA-N 324.336 1.880 10 10 DDCE CCN1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1=O 1648760376 YWIIIFMWXHXYGD-LLVKDONJSA-N 303.322 1.200 10 10 DDCE COC(=O)c1cccc(C(=O)NCc2ccc(O)cc2O)c1 1570462372 QSFPXIBMXGZHAK-UHFFFAOYSA-N 301.298 1.814 10 10 DDCE C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(N2CCOCC2)cc1 159580838 YSKGXPSUWCHWDF-ZBFHGGJFSA-N 317.433 1.609 10 10 DDCE Cc1ccc(O)c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c1 1860825190 RQFDFTBZACPTDZ-BJMVGYQFSA-N 309.368 1.986 10 10 DDCE Nc1cc2c(cc1N1CCC3(C1)CC1(C3)OCCO1)OCCO2 1917332763 UTQXQLXWBIWTQQ-UHFFFAOYSA-N 318.373 1.773 10 10 DDCE CC(C)(C)OC(=O)N1CC([C@H](O)[C@@H](N)c2ccccc2O)C1 1920142936 KBVLFLFADZQEJK-KBPBESRZSA-N 308.378 1.620 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc(O)c1[C@@H]1CNC(=O)CN1 1952882586 DOOJAFXWOLHYSU-JTQLQIEISA-N 307.350 1.500 10 10 DDCE C[C@H]1[C@@H](C(=O)C(=O)C[C@H]2C[C@H](N)C2)CCN1C(=O)OC(C)(C)C 1980377581 OFIXCUNIYHYKCX-CYDGBPFRSA-N 324.421 1.898 10 10 DDCE CN1CCO[C@H](CNCc2c(O)cccc2Br)C1 706807804 GLHNGAQEEVHTIR-SNVBAGLBSA-N 315.211 1.575 10 10 DDCE C[C@H](O)c1ccc(N(C)[C@@H](C)C(N)=O)cc1Br 711117512 GGLBMWIJJRJCEM-YUMQZZPRSA-N 301.184 1.812 10 10 DDCE O=c1nc(CCNCc2cc(Cl)cc(Cl)c2O)[nH]o1 392286865 BBLJPXKUJQNTOY-UHFFFAOYSA-N 304.133 1.708 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCC(C3CC3)C3CC3)c2n1 2064213616 QVPRDQYHPGQGOY-UHFFFAOYSA-N 300.362 1.909 10 10 DDCE CNC(=O)c1ccnn1Cc1cccc(Br)c1O 2069914231 KAZXKRRTQNDCAL-UHFFFAOYSA-N 310.151 1.759 10 10 DDCE CNC(=O)c1cnn(Cc2ccc(Br)cc2O)c1 2069928009 HULIQOZJPQXCFP-UHFFFAOYSA-N 310.151 1.759 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3C[C@H](C2)[C@H](O)[C@H]3O)cc1Cl 2182542715 LDMACDSFKMQSMF-WAYYCVMKSA-N 300.761 1.116 10 10 DDCE O=C(O)CC1(O)CN(Cc2c(O)cccc2Br)C1 2048114145 JOYYHSOTLPKILU-UHFFFAOYSA-N 316.151 1.176 10 10 DDCE CO[C@H]1COC[C@@H]1N(C)c1ccc(CN)cc1Br 2057140800 DZDXGNOMDALCJL-STQMWFEESA-N 315.211 1.758 10 10 DDCE NCc1ccc(N2CC(CNC(N)=O)C2)cc1Br 2067116514 BWMCRVUYJUBDGH-UHFFFAOYSA-N 313.199 1.012 10 10 DDCE C[C@@H](NCc1ccc(F)c(F)c1O)c1nnc(CO)s1 2192609080 MBQPJTHWEHZHTF-ZCFIWIBFSA-N 301.318 1.865 10 10 DDCE Oc1cccc(Br)c1CN[C@@H]1CCC[C@@H](O)[C@H]1O 2217647772 XPTJTRRWAJMWEV-RTXFEEFZSA-N 316.195 1.519 10 10 DDCE CSc1ncc(CNCC2CCS(=O)(=O)CC2)s1 2208503388 DIYVBQNKIKULGJ-UHFFFAOYSA-N 306.478 1.779 10 10 DDCE COCc1nc(NN)cc(NCc2cnc(SC)s2)n1 2284730187 YRBRGKGFKKRPNM-UHFFFAOYSA-N 312.424 1.699 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2C[C@@]23C[C@@H]3C(=O)O)s1 2284537052 LXTOJZSQPDCLMC-DNSOKLHBSA-N 313.404 1.527 10 10 DDCE COc1ncnc2c1[nH]c(=N)n2Cc1cnc(SC)s1 2284704482 VTSWCYGXNIAMJF-UHFFFAOYSA-N 308.392 1.474 10 10 DDCE O=C(COc1ccccc1)NC1=NN(c2ccccc2)C(=O)C1 59313202 QFUDOCNNFUERCS-UHFFFAOYSA-N 309.325 1.932 10 10 DDCE CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(O)cc1O 59384980 NRATWFWJOLMYHD-GFCCVEGCSA-N 308.359 1.454 10 10 DDCE CN(C(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(N)cc1 20374105 GFPBFNOQTYEQHR-UHFFFAOYSA-N 304.371 1.949 10 10 DDCE CNS(=O)(=O)c1cccc(NCc2ccc(O)c(O)c2)c1 36978679 LXRGREGDCMXONC-UHFFFAOYSA-N 308.359 1.618 10 10 DDCE CNC(=O)CC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 185471582 HGAYVAWIUYQEKZ-CYBMUJFWSA-N 306.362 1.036 10 10 DDCE COc1ccc(N2CCN(c3nc(CN)cs3)CC2)cc1 79941961 SBTJJOPZXVAOAR-UHFFFAOYSA-N 304.419 1.937 10 10 DDCE Cc1nc(S(=O)(=O)NCc2ccc(N)cc2)c(Cl)n1C 2364201783 KWRYHBJIVIVYMP-UHFFFAOYSA-N 314.798 1.443 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)CC[C@H](C)O)c([N+](=O)[O-])c1 255295410 GPGTVNLSEAIDLI-XOIDGJRKSA-N 308.334 1.988 10 10 DDCE C[C@H](NC(=O)N1CCC[C@](O)(CO)C1)c1ccc(N(C)C)cc1 838559698 OSIHNNRKBNPRKT-SUMWQHHRSA-N 321.421 1.342 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H]1CCN(C2CC2)C1 588403914 HUPHLNLKLMRTBW-XYRDXQRHSA-N 302.374 1.712 10 10 DDCE COC(=O)C1(C(=O)NCc2ccc(O)cc2O)CC2(CCC2)C1 910944884 YJRCOOQBDCUBKI-UHFFFAOYSA-N 319.357 1.838 10 10 DDCE CN(C)c1ccc(CNC(=O)N(C2CC2)[C@H]2CCNC2)cc1F 841759766 IJZFQTVKJQAJND-AWEZNQCLSA-N 320.412 1.928 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1cc(C)on1 935946177 AFSZECADZWQXMP-UHFFFAOYSA-N 311.334 1.870 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCC3(COC3)C2)cc1 852683190 GZFRKJWWJDYBTK-UHFFFAOYSA-N 303.406 1.091 10 10 DDCE COC(=O)[C@]1(OC)CCN(Cc2cc(Cl)c(F)cc2O)C1 862475614 QMJJVLWFWVJSRY-AWEZNQCLSA-N 317.744 1.949 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCCCN3)C2)cc1 1118571812 JCOGJVSYGVUFTQ-WMLDXEAASA-N 317.433 1.922 10 10 DDCE COC(=O)[C@]1(O)CCN(Cc2cc(Cl)c(F)cc2O)C1 895703358 LWRPZGJXKVDAGJ-ZDUSSCGKSA-N 303.717 1.295 10 10 DDCE CC(=O)NCc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 1136746669 DYHFUTHGFYSANK-UHFFFAOYSA-N 314.341 1.915 10 10 DDCE COc1cc(O)c(CN2CCNC(=O)CC23CCC3)cc1OC 895927684 VWGVKWBTPSZVOD-UHFFFAOYSA-N 320.389 1.654 10 10 DDCE COC(=O)[C@@]1(O)CCN(Cc2cc(Cl)c(F)cc2O)C1 895703357 LWRPZGJXKVDAGJ-CYBMUJFWSA-N 303.717 1.295 10 10 DDCE CCNCc1ccc(N2CCS(=O)(=O)[C@H](C)C2)c(F)c1 707150330 DOBPVRMCPRNQPT-LLVKDONJSA-N 300.399 1.559 10 10 DDCE C[C@@H](NCc1cc(Cl)cc(Br)c1O)[C@@H](O)CO 708178453 PWVMVXSOTBFSLE-LDWIPMOCSA-N 324.602 1.639 10 10 DDCE C[C@H](NC(=O)C(=O)N[C@H]1[C@H]2CCC[C@H]21)c1ccc(N(C)C)cc1 1261112903 HBYFOMSDXNPKOT-KSYCFECVSA-N 315.417 1.845 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1ncc2c(n1)CCC2 1299203883 VEVQPMAEIZFASN-ALCCZGGFSA-N 311.341 1.706 10 10 DDCE Cn1nc(CC(=O)NCc2ccc(O)c(O)c2)c2ccccc21 1294868872 BZXMAFNPSFWVIK-UHFFFAOYSA-N 311.341 1.843 10 10 DDCE Nc1ncn(CC(=O)NCc2cc(Cl)cc(Cl)c2O)n1 1629136866 ONPYORNDMVBCAD-UHFFFAOYSA-N 316.148 1.189 10 10 DDCE C[C@@H](NC(=O)[C@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1 1625544223 RWIOKTMJBDBOCL-IAQYHMDHSA-N 302.378 1.397 10 10 DDCE CC(C)n1cnnc1SCC(=O)NCc1cccc(O)c1O 1558159652 KOVCBPRTBQHLCZ-UHFFFAOYSA-N 322.390 1.679 10 10 DDCE C[C@@H](Oc1ccc(C=O)cc1)C(=O)NCc1ccc(O)cc1O 1630301662 GAEQBVPGHFTNNR-LLVKDONJSA-N 315.325 1.994 10 10 DDCE CC(C)CN1C[C@@H](C(=O)NCc2cc(O)ccc2O)CC1=O 1633595342 SACODTJCQPNATG-LBPRGKRZSA-N 306.362 1.219 10 10 DDCE CCC[C@@H](NC(N)=O)C(=O)NCc1c(O)ccc2ccccc12 1639384771 UVZLHEDRITYSHL-CQSZACIVSA-N 315.373 1.999 10 10 DDCE C[C@H](C(=O)OC(C)(C)C)S(=O)(=O)N1CC[C@H](N=[N+]=[N-])C1 1912177448 FAVPWNDNERPSMX-BDAKNGLRSA-N 304.372 1.431 10 10 DDCE Cc1cc(C(=O)NCc2ccc(O)cc2O)n2nc(C)cc2n1 1643100715 IDLMAMMYLRFGIC-UHFFFAOYSA-N 312.329 1.687 10 10 DDCE CN1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(C)(C)C1 1645241724 VUAASBUFIWQUCL-LBPRGKRZSA-N 303.366 1.919 10 10 DDCE CCCCNC[C@@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1667940043 WIGPJJREPLAMAW-CYBMUJFWSA-N 321.381 1.329 10 10 DDCE COC(=O)/C=C\c1ccc(N2C[C@H]3C[C@H]2C(=O)O3)c([N+](=O)[O-])c1 1772984468 ASRYQNHLDJQYCJ-ZRIUIHNJSA-N 318.285 1.285 10 10 DDCE COc1cc(C)cc(CN(C)CC(C)(C)S(C)(=O)=O)c1O 161032601 KEIWQSGUJDOVEI-UHFFFAOYSA-N 315.435 1.964 10 10 DDCE CC(=O)c1ccc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)cc1 1857878968 QGLJOQBYWZLOKC-UHFFFAOYSA-N 322.328 1.699 10 10 DDCE Oc1cc(Br)ccc1CNC[C@]1(O)CCCOC1 1971053157 HYGKHSZROJSZSH-CYBMUJFWSA-N 316.195 1.786 10 10 DDCE CC(C)(C)OC(=O)N[C@@]1(c2cc(O)nc(O)c2)C[C@@H]1C(=O)O 1952975833 SWQINOXNEWWLBL-XLKFXECMSA-N 310.306 1.317 10 10 DDCE CN(CCN(C)S(C)(=O)=O)Cc1cccc(Cl)c1O 1971683050 OKSLDQTZNCCCEM-UHFFFAOYSA-N 306.815 1.369 10 10 DDCE CC[C@](C)(NCc1c(O)cccc1Br)C(N)=O 706855842 XCNWGFFSUZANSC-LBPRGKRZSA-N 301.184 1.898 10 10 DDCE CCNC(=O)c1cnn([C@@H](C)c2c(O)cccc2OC)c1O 2070486475 MRRXWHMOAUVSDM-VIFPVBQESA-N 305.334 1.662 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)CC1(C(N)=S)CC1 2192597697 ILCCFCSKZLUASO-UHFFFAOYSA-N 314.432 1.220 10 10 DDCE C[C@H](N=c1[nH]c(Br)cc(=N)[nH]1)c1ccccc1O 2072484351 PDBHXHNMFGQSTL-ZETCQYMHSA-N 309.167 1.952 10 10 DDCE COc1ccc(N(C)[C@@H](C)CS(C)(=O)=O)c(CCN)c1 2235970361 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CN(C)N[C@H]1C[C@H](c2ccccc2)C(C#N)(C#N)C1(C#N)C#N 34327870 SZIWODYIOGNZQO-CABCVRRESA-N 304.357 1.676 10 10 DDCE C[C@@H]1CO[C@@H](CO)CN1c1ccc(CN)cc1Br 212904454 UXMOJWXPYJPZPA-MWLCHTKSSA-N 315.211 1.494 10 10 DDCE O=C1COC[C@@H](c2cc(I)ccc2O)N1 238719304 UURWWNVXLDMOQZ-QMMMGPOBSA-N 319.098 1.184 10 10 DDCE O=C(CNCc1cc(Cl)c(F)cc1O)N1CCOCC1 293630639 NDFVGRLPUROCGE-UHFFFAOYSA-N 302.733 1.133 10 10 DDCE C[C@@H](OCC(=O)NCc1ccc(O)c(O)c1)c1nccn1C 813489067 NAIIBGHELRHDHE-SNVBAGLBSA-N 305.334 1.225 10 10 DDCE Nc1ccc(OCCON2C(=O)COc3cc(O)ccc32)cc1 821299164 IEKLISGWNJDZEZ-UHFFFAOYSA-N 316.313 1.710 10 10 DDCE O=C(c1cc(O)c(O)c(O)c1)N1CCN(c2ccccn2)CC1 586737471 JIPPIJARIJHAJD-UHFFFAOYSA-N 315.329 1.161 10 10 DDCE CN(C)c1ccc(/C=C/CNC2(C(=O)O)CCOCC2)cc1 904010200 RXDJITJPKFLNHC-ONEGZZNKSA-N 304.390 1.989 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCNC[C@@H]2C(F)F)c1O 843385732 QDLNQZWMMYBHQS-GFCCVEGCSA-N 302.296 1.773 10 10 DDCE COc1ccc(CNC(=O)N[C@@H](CN)C(F)(F)F)c(O)c1 848598955 VKXAYULUORYHNB-JTQLQIEISA-N 307.272 1.090 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@H]2CNC(=O)c3ccccc32)cc1 858161441 QIYKSRSUHUTGMD-KRWDZBQOSA-N 323.396 1.896 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N(C)CCN(C)C)C2)cc1 854299673 JZMLBMPVYVSZCD-CQSZACIVSA-N 320.437 1.477 10 10 DDCE C[C@H]1CN(c2ccc(CNC3=NCCCN3)cc2F)C[C@H](C)O1 750543264 HWXAHXISXHMTRY-STQMWFEESA-N 320.412 1.878 10 10 DDCE Cn1cc([C@H](NC(=O)c2cc(O)cs2)C2(CO)CCC2)cn1 854581034 XQBPNUZMPBUVDO-ZDUSSCGKSA-N 321.402 1.821 10 10 DDCE CCCN(CCO)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 854303060 SBZZEHFDVMXFHJ-AWEZNQCLSA-N 321.421 1.688 10 10 DDCE C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1c(O)cccc1F 921435035 TXAZPDPNDNGANA-QMTHXVAHSA-N 307.369 1.813 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H](C)NC3CC3)C2)cc1 852843630 CWHFQCYXHCZFNM-TZMCWYRMSA-N 303.406 1.531 10 10 DDCE CC[C@@H](C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)N(C)C 855234199 VDQBAUZJIDVLRA-CJNGLKHVSA-N 305.422 1.730 10 10 DDCE COC(=O)c1cc(OCC[C@H]2CCOC2=O)ccc1N(C)C 865395926 FNSQSYYQWMOTRA-NSHDSACASA-N 307.346 1.871 10 10 DDCE CCNC(=O)C(C)(C)CNC(=O)N[C@@H](C)c1ccccc1O 868425782 FEDJIIBFVSLEDC-NSHDSACASA-N 307.394 1.915 10 10 DDCE C[C@@H]1C[C@H](S(=O)(=O)NCc2ccc(O)cc2O)CCO1 867416634 DTRUGHKIDGLYQI-BXKDBHETSA-N 301.364 1.085 10 10 DDCE Cc1ccc(O)c(CN2CCN(c3nccn(C)c3=O)CC2)c1 769467306 SQLNBAKWXLKYIC-UHFFFAOYSA-N 314.389 1.117 10 10 DDCE O[C@H](COc1ccc(N2CCCC2)cc1)CC1(O)CCOCC1 865345301 ZLTMZFIUYYYZNQ-INIZCTEOSA-N 321.417 1.958 10 10 DDCE CS(=O)(=O)CC1(CC(=O)N2Cc3cccc(O)c3C2)CC1 871202580 BGITWERWNJNKSZ-UHFFFAOYSA-N 309.387 1.449 10 10 DDCE CCOC(=O)C[C@@H](O)C(=O)N(C)Cc1ccc(N(C)C)cc1 773726122 OBSZUORKUBHSQT-CQSZACIVSA-N 308.378 1.025 10 10 DDCE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1ccnc1 788666105 QCYGSWCEEDXEKX-UHFFFAOYSA-N 314.389 1.378 10 10 DDCE CCNC(=O)CNCc1cc(C)cc(Br)c1O 781625277 VWJHUBZURKTZBA-UHFFFAOYSA-N 301.184 1.689 10 10 DDCE CN[C@H](C)CCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 1329822994 HULVAKVTTRAEOM-ZIAGYGMSSA-N 320.437 1.571 10 10 DDCE CO[C@@H](C)CNC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1321761262 ZXIDXJBKIHAVRT-MNOVXSKESA-N 321.381 1.592 10 10 DDCE CN1C(=O)CC[C@H](Nc2c(N)cccc2Br)C1=O 697530094 XMGVPVRHDRIJBU-VIFPVBQESA-N 312.167 1.591 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](O)[C@@H](CO)C1 1469083999 POCOTWHYKXXASA-ZJUUUORDSA-N 323.370 1.128 10 10 DDCE COc1cc(CNCCCO)ccc1N1C[C@H](C)O[C@@H](C)C1 212667996 DFPVNJKOCDAUCP-KBPBESRZSA-N 308.422 1.781 10 10 DDCE CC1(C(N)=O)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 1557189965 TXVKHHSAENVRFJ-UHFFFAOYSA-N 306.343 1.260 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1C[C@@H](CO)Cc2ccccc21 1636203602 UHTQTGWCYZJIPD-ZDUSSCGKSA-N 313.353 1.838 10 10 DDCE NC(=O)c1nccnc1C(=O)NCc1c(O)ccc2ccccc12 1635965295 UYFKDRWGZVLOJK-UHFFFAOYSA-N 322.324 1.364 10 10 DDCE COC(=O)c1cccc(C(=O)NCc2ccc(O)cc2O)n1 1639444683 VTGYYZOIRVTVTD-UHFFFAOYSA-N 302.286 1.209 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)C1(n2cccn2)CC1 1570533922 WWKGBFZORGOMGV-UHFFFAOYSA-N 308.341 1.942 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C1 1912187167 IGKNKHXMONPBGV-WDEREUQCSA-N 300.384 1.360 10 10 DDCE CCCN(CCNC(C)=O)C(=O)c1ccc(N=NC(N)=O)cc1 1737851226 ADUYMXOKOGJBDT-UHFFFAOYSA-N 319.365 1.837 10 10 DDCE CC(C)(C)[S@](C)(=O)=NC[C@@H](O)COc1ccc(N)cc1 1913860174 BECZPAPAFQIXFX-ODXCJYRJSA-N 300.424 1.905 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N3CC(F)C3)c(Br)cc21 1916993451 XYYBODAXHZLMBQ-NSHDSACASA-N 314.158 1.820 10 10 DDCE Cc1cccc(O)c1CN[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1985826530 ANFIGPIWRNKMBA-HIFRSBDPSA-N 322.405 1.770 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCN1c1ccc(CN)c(F)c1F 2151270884 AASCLLHUFBXYIZ-JTQLQIEISA-N 304.362 1.437 10 10 DDCE CN(C)C(=O)NCCNCc1ccc(Br)cc1O 701117505 KAWXLARGLCPGLB-UHFFFAOYSA-N 316.199 1.516 10 10 DDCE CN(CC1(Br)CC1)C(=O)c1cc(O)c(O)c(O)c1 2076268522 ZWYZNIYPSFTGHM-UHFFFAOYSA-N 316.151 1.803 10 10 DDCE C[C@H](NCCCS(=O)(=O)C(F)F)c1c(O)cccc1O 2237644615 RMFPAKJKGGWUJY-QMMMGPOBSA-N 309.334 1.776 10 10 DDCE CO[C@H]1[C@@H](NCc2cc(Br)cc(F)c2O)C[C@H]1O 2258700451 GHXDTNCJLFDQIB-UMNHJUIQSA-N 320.158 1.532 10 10 DDCE CSc1ncc(CNC(=O)NCC(C)(C)C(=O)O)s1 2269118867 MQTRQXQFWLGDGR-UHFFFAOYSA-N 303.409 1.775 10 10 DDCE CSc1ncc(CNCCN2CCC(CN)CC2)s1 2269312434 IDVMQPKCWVKXBA-UHFFFAOYSA-N 300.497 1.625 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H]3C[C@@]3(C(=O)O)C2)s1 2284494020 ILXZWWXEBOQHFR-JMCQJSRRSA-N 313.404 1.481 10 10 DDCE CSc1ncc(CNC(=O)N2CC([C@H](C)C(=O)O)C2)s1 2284536057 DEWFJMIRGZFIBG-ZETCQYMHSA-N 315.420 1.727 10 10 DDCE CSc1ncc(CNC(=O)C(C)(C)N2CCNCC2)s1 2284639703 WCFNTKKBQWPNBD-UHFFFAOYSA-N 314.480 1.165 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CCOCC3)c(Br)cc21 118589730 OLKNKMFMZFQJBC-LLVKDONJSA-N 312.167 1.238 10 10 DDCE COC(=O)c1ccc(CNC(=O)c2cc(O)c(O)c(O)c2)cc1 170190553 DLLNMFKTDNZMFG-UHFFFAOYSA-N 317.297 1.520 10 10 DDCE CN1CCCc2cc(CNC(=O)NCC3(C)COC3)ccc21 112723571 JKDOGFUUAQBGQA-UHFFFAOYSA-N 303.406 1.905 10 10 DDCE CCS(=O)(=O)CCN(C)Cc1cc([N+](=O)[O-])ccc1O 179115399 OOQMPHSQSYDFER-UHFFFAOYSA-N 302.352 1.167 10 10 DDCE COCCN1CCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 180754413 WZRWKEACAPDMJN-DYLGSBMWSA-N 320.389 1.338 10 10 DDCE C[C@H](O)CN(CCO)c1ccc(CN)cc1Br 380049825 LNUNCAJGLUSJGZ-VIFPVBQESA-N 303.200 1.087 10 10 DDCE C[C@@](N)(CC(=O)O)c1ccc(I)cc1O 238424964 UBWQGARXOHREMA-SNVBAGLBSA-N 321.114 1.645 10 10 DDCE CN(C)c1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1F 373736613 BQOUVDSYAPSUFR-HEHGZKQESA-N 305.397 1.978 10 10 DDCE COc1ccc(CNC(=O)/C=C(\C)CN2CCOCC2)c(O)c1 907925826 JGFSTBXNRBTRCV-UKTHLTGXSA-N 320.389 1.296 10 10 DDCE O=C(NCCCN1CCCCC1=O)NCc1c(O)cccc1F 917179531 SWVYBDLWHMWTNF-UHFFFAOYSA-N 323.368 1.733 10 10 DDCE C[C@@H]1CCNC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 841832831 UXAYICJOUFYDMZ-RHSMWYFYSA-N 314.433 1.860 10 10 DDCE CN1CCCc2cc(CNC(=O)NCCC3(CN)CC3)ccc21 846143480 JAHJGBMVTWPKCQ-UHFFFAOYSA-N 316.449 1.997 10 10 DDCE O=C1N[C@]2(C(=O)NCc3c(O)cccc3F)C[C@H]3C[C@H]1[C@H]2C3 928705054 CWXPKCFDJVMQNJ-JTYJBMJGSA-N 304.321 1.062 10 10 DDCE Cc1cc(CN2C[C@H](O)C[C@H]2C(N)=O)ccc1N1CCCCC1 854114780 MNUHCLATYJMNEU-WBVHZDCISA-N 317.433 1.406 10 10 DDCE COc1ccc(CNC(=O)N[C@@H](C)c2nccn2C)c(O)c1 852688127 DSUMYFFJBDYGRK-JTQLQIEISA-N 304.350 1.695 10 10 DDCE Nc1ccc(CNC(=O)c2ccn(C3CCOCC3)n2)cc1 859594218 TWBHYWRNBPXGFK-UHFFFAOYSA-N 300.362 1.747 10 10 DDCE Nc1ccc(NC(=O)C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)cc1 868296023 IZSPMIDWKQBVDL-LSDHHAIUSA-N 317.389 1.671 10 10 DDCE Cc1ccc([C@@H](C)NC[C@]23COCCN2C(=O)OC3)c(O)c1C 866520084 BZKNVSXATRRDMY-CXAGYDPISA-N 320.389 1.881 10 10 DDCE CC[C@@H]1C[C@@H](C)CN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1119006116 HQYYCLWNWUXSOC-DGCLKSJQSA-N 302.374 1.881 10 10 DDCE C[S@](=O)c1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1 771416561 HYAKYHVPWLCFKI-QFIPXVFZSA-N 319.382 1.808 10 10 DDCE CCN(CC)C(=O)C1CCN(C(=O)c2cccc(O)c2O)CC1 790599026 QTKAJFXPYGXQCK-UHFFFAOYSA-N 320.389 1.818 10 10 DDCE CN(C)C(=O)c1cccc(C(=O)NCc2c(O)cccc2O)c1 1304053052 ANIIEUQIRJHPMF-UHFFFAOYSA-N 314.341 1.730 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H]2[C@H](C1)C2(F)F 1346231813 HJBDWMNVRPMKKN-QWRGUYRKSA-N 310.300 1.074 10 10 DDCE O=C(CNCc1cccc(Br)c1O)NC1CCC1 1964581965 YCOSALLSYKHJPW-UHFFFAOYSA-N 313.195 1.913 10 10 DDCE C[C@@H](NCc1ccc(N2CCCC2)cc1)c1nnc(O)n1C 1332013739 ZFGWTSQIOWSFEW-GFCCVEGCSA-N 301.394 1.972 10 10 DDCE COc1cc(C)cc(CNCC[C@H]2CCCS2(=O)=O)c1O 1332724674 NOOIYPIUHQTONS-CYBMUJFWSA-N 313.419 1.766 10 10 DDCE Oc1ccc(Br)cc1CN1CCNCCNCC1 904397256 CEGGLZWBRRKDOZ-UHFFFAOYSA-N 314.227 1.150 10 10 DDCE O=C(NCc1cccc(O)c1O)C1CN(C2CCCCC2)C1 1520508904 OXOZOPIXJCQSNG-UHFFFAOYSA-N 304.390 1.979 10 10 DDCE O=C(CNC(=O)c1ccccc1)NCc1c(O)cccc1O 1472063122 DWNHSLYUMYUMGN-UHFFFAOYSA-N 300.314 1.144 10 10 DDCE CCS(=O)(=O)[C@@H]1CCN(c2ccc(CO)c(Cl)c2)C1 2123309601 UOOXTCIJEDJDIC-GFCCVEGCSA-N 303.811 1.846 10 10 DDCE CC[C@@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@H](C)[S@@]1=O 1556555386 FVKDHGHSULJTHE-ANFZBRINSA-N 311.403 1.398 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@H]2CO[C@H](C)C2)cc1C 1714726025 BMMMUIILZHPRLI-GDBMZVCRSA-N 320.433 1.977 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc2[nH]nnc12 1638347704 KBKVSCPCYKQVOB-MRVPVSSYSA-N 313.317 1.125 10 10 DDCE Nc1nc2c(s1)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)CC2 1635240355 IDTZWORFNXMFGJ-VIFPVBQESA-N 319.386 1.353 10 10 DDCE CCOc1ccc(N2CCN(C(=O)[C@@H]3CCN3CC)CC2)cc1 1632157776 BVBDEJMJIFDKHU-KRWDZBQOSA-N 317.433 1.828 10 10 DDCE COc1ccc(CNCCN(C)C(=O)[C@H]2CCCO2)cc1C 1567462550 JSMDKCDBCBFHFQ-MRXNPFEDSA-N 306.406 1.731 10 10 DDCE [N-]=[N+]=N[C@@H]1CCCN(CCS(=O)(=O)N2CCCCC2)C1 1912194587 VIBANGYEAQBLCG-GFCCVEGCSA-N 301.416 1.577 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCCN(CCN2CCCS2(=O)=O)C1 1912147574 YHMNRQOIQKHOHY-GFCCVEGCSA-N 301.416 1.434 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(CO)c(CO)c1 1647832055 GKPSRWVAHYXWHK-KXFIGUGUSA-N 315.325 1.734 10 10 DDCE CC1=NN(c2ccccc2)C(=O)/C1=C(\C)NN1CCOCC1 17024952 YKJMHHHIIDSMLR-NTCAYCPXSA-N 300.362 1.520 10 10 DDCE COCCOCCN[C@@H](C)c1ccc(N2CCC(O)CC2)cc1 153990827 GBJFEIHUMREWIV-HNNXBMFYSA-N 322.449 1.961 10 10 DDCE O=S1(=O)C[C@@H]2CC(NCc3c(O)cccc3Cl)C[C@H]2C1 1974482881 FKSBZOLPIQDQII-UWVGGRQHSA-N 315.822 1.958 10 10 DDCE NCc1cc(F)c(N2CC=C[C@@H]2CO)cc1Br 2007498249 MNVPVEXVQFSVFN-SECBINFHSA-N 301.159 1.784 10 10 DDCE O=C1CCC[C@@H](CNCc2cccc(Br)c2O)N1 2028880896 JEUVCFKFCXQLHY-JTQLQIEISA-N 313.195 1.913 10 10 DDCE CCNCc1ccc(N2CC[C@H]2C(N)=O)cc1Br 2028919286 GOQFGKGEIWUAJJ-LBPRGKRZSA-N 312.211 1.623 10 10 DDCE CN(C[C@H]1CCCCS1(=O)=O)c1ccc(CO)cc1F 694143619 IRPHGBQVOHZVEL-GFCCVEGCSA-N 301.383 1.722 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccnn1[C@@H]1CC1(F)F 2065058503 KCOARRWIFUWPBJ-GFCCVEGCSA-N 309.272 1.804 10 10 DDCE CCS(=O)(=O)[C@H]1CCN(Cc2cc(F)cc(F)c2O)C1 2179906888 AYVSLXPQJJCLAD-NSHDSACASA-N 305.346 1.679 10 10 DDCE CCCS(=O)(=O)C[C@@](C)(NCCCN=[N+]=[N-])C(=O)OC 2170551644 ZBIJEXSTDFRMFH-LLVKDONJSA-N 306.388 1.033 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCN1c1cc(Cl)c(CN)cc1F 2177386292 ZDESHEPMSNKZDD-JTQLQIEISA-N 320.817 1.951 10 10 DDCE NCc1ccc(N2C[C@@H]3OC(=O)N[C@@H]3C2)c(Br)c1 2056817081 VUWPLALVHWEAKC-KOLCDFICSA-N 312.167 1.205 10 10 DDCE CN(Cc1ccccc1O)c1nc(Br)cc(=N)[nH]1 2072467076 NITYZUUUBNEXBI-UHFFFAOYSA-N 309.167 1.994 10 10 DDCE NCc1cc(F)c(N2CC[C@]3(C[C@@H](O)CO3)C2)cc1Cl 2201773885 RZIQTDHDMKBHFV-YGRLFVJLSA-N 300.761 1.668 10 10 DDCE CS(=O)(=O)C[C@@H]1CCN(c2ccc(CO)cc2Cl)C1 2087365192 TULUPSMUXXVARM-LLVKDONJSA-N 303.811 1.703 10 10 DDCE CC(C)(C)OC(=O)N1CCC[C@@H](CCOc2nnc(=N)[nH]n2)C1 2210655515 FXGYAQVIUWAEJE-JTQLQIEISA-N 324.385 1.095 10 10 DDCE CS(=O)(=O)[C@@H]1CCC[C@H]1NCc1ccc(F)c(F)c1O 2205994437 HQSYQGZRIKCLBK-GHMZBOCLSA-N 305.346 1.726 10 10 DDCE COCC[S@](=O)CCN[C@@H](C)c1ccc(OC)cc1O 2207028118 VELGKGQRQCBPFI-PRWKNARSSA-N 301.408 1.447 10 10 DDCE CN=c1[nH]ccc(C(=O)NCc2cnc(SC)s2)c1F 2284728523 OOIYUKZRAGASOG-UHFFFAOYSA-N 312.395 1.793 10 10 DDCE CC(C)C[C@H]1C(=O)NCCN1C(=O)C=Cc1ccc(O)c(O)c1 2310794405 IDTFTRZPAXBHEI-ZDUSSCGKSA-N 318.373 1.484 10 10 DDCE CS(=O)(=O)[C@H]1CC[C@](Sc2nccs2)(C(=O)O)C1 2327005646 MSJQKCOMQCVZIQ-OIBJUYFYSA-N 307.418 1.656 10 10 DDCE CN(c1ccccn1)S(=O)(=O)CCOc1ccc(N)cc1 70490540 IVOAOAAKLZAELV-UHFFFAOYSA-N 307.375 1.509 10 10 DDCE CC(C)S(=O)(=O)N(C)Nc1nc([C@@H]2C[C@@H]2C(=O)O)cs1 2365284099 AMVUWHDBAUOODI-SFYZADRCSA-N 319.408 1.328 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NCc2cccnc2)cc1 70490548 VKNSDWJWYITODD-UHFFFAOYSA-N 307.375 1.162 10 10 DDCE C[C@H]1CCCN1S(=O)(=O)NCCCSc1nccs1 184989399 CHFSZFLOWVWKRE-JTQLQIEISA-N 321.493 1.944 10 10 DDCE Nc1ccc(OCCCN2C(=O)COc3ccc(N)nc32)cc1 75259135 ZUGISPIDRMPRII-UHFFFAOYSA-N 314.345 1.441 10 10 DDCE Cc1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(=O)[nH]c1C 185387492 TZHBXZBASLDIBZ-MRVPVSSYSA-N 317.345 1.159 10 10 DDCE COc1ccc(O)c(CNC(=O)Cn2cc(C3CC3)nn2)c1 133458161 FWGFKVAJQUWOEE-UHFFFAOYSA-N 302.334 1.186 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)cc1 249602915 QUOGFIBMEAGJLS-HNWLLIRGSA-N 315.417 1.663 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@@H]2CCC(=O)N(C)C2)c1O 278104191 AKBXPGKCUZTVFP-SNVBAGLBSA-N 309.322 1.019 10 10 DDCE COc1c([N+](=O)[O-])ccc(CNC[C@H](O)C(F)(F)F)c1O 278922779 VAMOQGKFJFMZPF-QMMMGPOBSA-N 310.228 1.322 10 10 DDCE OC[C@@H](CNCc1cc(Cl)c(F)cc1O)[C@H]1CCOC1 294823163 XRLIKBFJUGJGDE-GXSJLCMTSA-N 303.761 1.919 10 10 DDCE CC(=O)C(=O)COC(=O)CCOc1ccc(F)c(Cl)c1 808503902 OQUWORUZOOUHJM-UHFFFAOYSA-N 302.685 1.949 10 10 DDCE COC[C@@]1(C(=O)NCc2ccc(N3CCCC3)cc2)CCOC1 824983445 WYZZJCKBMXZKEU-SFHVURJKSA-N 318.417 1.956 10 10 DDCE Cc1ccc(C(=O)NCc2nc(CN(C)C)cs2)c(O)c1O 927770011 XZCSOUHDRITYGC-UHFFFAOYSA-N 321.402 1.854 10 10 DDCE C[C@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)c2ncnn21 850352399 URNBQLXYCYHSHB-BBRMVZONSA-N 313.405 1.910 10 10 DDCE CC(C)(C)OC(=O)[C@]1(NC(=O)c2cc(O)cs2)CCOC1 855637827 MSLRVBVTFYEECF-AWEZNQCLSA-N 313.375 1.684 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCC[C@@H]3N)C2)cc1 852843561 BAUCUHYCUFHYPD-WQVCFCJDSA-N 303.406 1.518 10 10 DDCE COc1cccc(CNC(=O)c2ccc3c(N)ncnc3c2)c1O 1137473722 SZFZZDIONADEGU-UHFFFAOYSA-N 324.340 1.856 10 10 DDCE COC(=O)[C@@H]1C[C@@H]1CNC(=O)NCc1cccc(Cl)c1O 896537279 MMJLPAPHWHABGT-NXEZZACHSA-N 312.753 1.654 10 10 DDCE COC(=O)/C=C\c1ccc(N2C[C@@H]3C[C@]3(CO)C2)c([N+](=O)[O-])c1 782408725 UUOYSVNFMPOBPE-OJPPHQLLSA-N 318.329 1.600 10 10 DDCE CN(CCN=[N+]=[N-])C(=O)C(F)(F)CNC(=O)OC(C)(C)C 1885557048 JWPWHTKWAQCXRO-UHFFFAOYSA-N 307.301 1.915 10 10 DDCE Cn1cc(C(=O)CCC(=O)NCc2c(O)cccc2O)cn1 1178911835 PYXIXDJBUZFUOO-UHFFFAOYSA-N 303.318 1.111 10 10 DDCE CO[C@H]1CCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)[C@@H](C)C1 1329494083 LDBMJDOSGSVDCD-AAEUAGOBSA-N 318.373 1.260 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@@H]1CCCC2(CC1)OCCO2 1965277623 NKDOLXHKGFWDNN-CYBMUJFWSA-N 321.373 1.832 10 10 DDCE CCn1cc(CC(=O)Nc2c(Cl)ccc3nonc23)nn1 1525080843 KJWWLDSBJUNANO-UHFFFAOYSA-N 306.713 1.669 10 10 DDCE CCN(CC)c1ccc(CNN2CCN(C)CC2)cc1OC 212681182 DIIIBBVVEZBFMQ-UHFFFAOYSA-N 306.454 1.793 10 10 DDCE COc1cc(CNC[C@@H]2CCCO2)ccc1N1CCOCC1 212685555 VVAQSCDXCDLGAJ-HNNXBMFYSA-N 306.406 1.800 10 10 DDCE COc1cc(CNC[C@@H](C)NC(C)=O)ccc1N1CCCC1 212665852 MARUKNBCJAXVPK-CYBMUJFWSA-N 305.422 1.910 10 10 DDCE O=C(Cc1ccc2c(c1)OCO2)NCc1ccc(O)cc1O 1630302382 ZUPYLCTWUKMNIL-UHFFFAOYSA-N 301.298 1.685 10 10 DDCE C[C@]1(C(=O)NCc2c(O)cccc2O)COc2ccccc2O1 1639292469 DIMRJYZPMAZYKN-QGZVFWFLSA-N 315.325 1.944 10 10 DDCE CS(=O)(=O)c1ccsc1[C@@H](NCCN=[N+]=[N-])C(=O)O 1912183433 PFVLRHIPNVYPDX-SSDOTTSWSA-N 304.353 1.177 10 10 DDCE COc1ccc([C@@H](CN)N(C)CCc2ccncc2)c(O)c1 32067017 HFJKURUMCHXXGP-MRXNPFEDSA-N 301.390 1.970 10 10 DDCE CCS(=O)(=O)[C@@H]1CSCCN1c1ccc(OC)cc1N 213440067 ZPXQCIYDYDTBEA-CYBMUJFWSA-N 316.448 1.591 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H]3C(C(N)=O)[C@@H]3C2)cc1Br 2136616028 YEWMHCGWGXUXEJ-AVPPRXQKSA-N 324.222 1.636 10 10 DDCE NCc1ccc(N2CC[C@H]3CS(=O)(=O)C[C@@H]32)c(F)c1F 2151270889 ABNQALUBUNSENK-ONGXEEELSA-N 302.346 1.047 10 10 DDCE C[C@@H]1CN(c2ccc(CO)c(Br)c2)CC[S@@]1=O 2004529924 MNZYEMZXXGZGTC-XLFHBGCDSA-N 318.236 1.899 10 10 DDCE C[C@@]1(NC(=O)C(F)(F)F)CCN(Cc2cc(N)ccc2O)C1 1977896266 KUVGHZZEDVTESY-CYBMUJFWSA-N 317.311 1.617 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(N)cc2)[C@@H](O)C1 1981514141 KEEYCGFDSLLNBK-GJZGRUSLSA-N 321.421 1.729 10 10 DDCE Cc1ccc([C@H](C)N(C)CCS(=O)(=O)N(C)C)c(O)c1 2151046405 DLTDRDYSOADJKE-LBPRGKRZSA-N 300.424 1.585 10 10 DDCE C[C@@H](CS(=O)(=O)N(C)C)N[C@@H](C)c1cc(O)ccc1O 2151097520 GFUNGPALEXWWOP-UWVGGRQHSA-N 302.396 1.028 10 10 DDCE CCn1ncc(Br)c1[C@@H](NN)c1ccccc1O 2033253356 CGZGUGSYRXBSDF-NSHDSACASA-N 311.183 1.924 10 10 DDCE Oc1c(F)cc(Br)cc1CNC[C@H]1COC[C@@H]1O 2036576574 JPYIBICHCPJYMJ-KWQFWETISA-N 320.158 1.391 10 10 DDCE C[C@@H](O)CN(CCO)c1ccc(CN)c(Br)c1F 310886105 XBJCILOSDIUXHW-MRVPVSSYSA-N 321.190 1.226 10 10 DDCE CCCN(CCS(=O)(=O)CCOC)c1ccc(N)cc1 312231940 AOEKOENSNNDVTF-UHFFFAOYSA-N 300.424 1.546 10 10 DDCE NCc1ccc(N2CCC(O)(CO)CC2)cc1Br 313631543 AKYNEDLHCDOXHU-UHFFFAOYSA-N 315.211 1.231 10 10 DDCE Cn1ncc(NC(=O)c2ccc(O)c(O)c2)c1Br 694102572 PWUOGDYYUXLJKW-UHFFFAOYSA-N 312.123 1.846 10 10 DDCE CC(CO)(CO)CNCc1cccc(Br)c1O 393895394 HUDYVIQSGCUSCM-UHFFFAOYSA-N 304.184 1.235 10 10 DDCE O=C(NC1CC1)c1ccnn1Cc1cc([N+](=O)[O-])ccc1O 2069954740 SQCLKIMGISKXBW-UHFFFAOYSA-N 302.290 1.437 10 10 DDCE C[C@H](O)c1cc(F)c(N(C)[C@@H](C)CS(C)(=O)=O)c(F)c1 2194516666 JHSTWBXJVHWOSU-IUCAKERBSA-N 307.362 1.887 10 10 DDCE CN(Cc1ccc(Br)cc1O)C1(C(=O)O)COC1 2052919908 LGCSNQDLVPHPCN-UHFFFAOYSA-N 316.151 1.440 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@@H](O)[C@H](O)C2)cc1Br 2068371359 VTXCSORRHMQZQB-BZHVJNSISA-N 315.211 1.401 10 10 DDCE NCc1ccc(N2C[C@@H]3CCS(=O)(=O)[C@H]3C2)cc1Cl 2088819097 ALNHWDGYWQIGLS-GWCFXTLKSA-N 300.811 1.422 10 10 DDCE Nc1ccc(NC(=O)CCN2CCC[C@@H]2C2OCCO2)cc1 2089608961 KSTDNGXWZPAQHP-CQSZACIVSA-N 305.378 1.435 10 10 DDCE CC(C)(C)OC(=O)N1CCC(CCOc2nnc(=N)[nH]n2)CC1 2210651760 MSCAMJKMNNDCOP-UHFFFAOYSA-N 324.385 1.095 10 10 DDCE C[C@H](O)c1ccc(N2CC([C@@H](O)CO)C2)c(Br)c1 2315277016 WWIQBYWAVMFZQU-SDBXPKJASA-N 316.195 1.292 10 10 DDCE Cc1ccc(Cn2cc(O)n(C)c2=O)c(O)c1Br 2327606534 NIIJJWBJPRHRQU-UHFFFAOYSA-N 313.151 1.717 10 10 DDCE CN1CC[C@H](CN(C)c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 221201204 TXKTXAPQCRXTJA-LKFCYVNXSA-N 308.813 1.680 10 10 DDCE O=C1CC[C@@H](NCc2cc(Br)ccc2O)C(=O)N1 236616504 YIXAYHSXDHIWJF-SECBINFHSA-N 313.151 1.050 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@H](C)Cn2cncn2)c1O 278887900 PBIKNDUIVWTONP-SECBINFHSA-N 307.310 1.079 10 10 DDCE COC(=O)[C@](C)(O)CN(Cc1ccco1)Cc1ccccc1O 808736277 OWTUFFDMRITISR-QGZVFWFLSA-N 319.357 1.911 10 10 DDCE C[C@H](NC(=O)NCc1ccccc1O)C1(S(C)(=O)=O)CC1 805791602 OIYOMOKDYUIVMZ-JTQLQIEISA-N 312.391 1.157 10 10 DDCE CC(C)NCCS(=O)(=O)N(C)[C@H](C)c1ccccc1O 722241930 RPBSDVJSVHTEKW-GFCCVEGCSA-N 300.424 1.713 10 10 DDCE Nc1ccc(COn2c(=O)c(=O)oc3ccc(Cl)cc32)cc1 821296807 GYPICBQCQXYUEC-UHFFFAOYSA-N 318.716 1.819 10 10 DDCE C[C@@H]1[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)CCN1C 915367075 VHHHYZXEKKYMRL-RISCZKNCSA-N 308.401 1.784 10 10 DDCE CCS(=O)(=O)C1CN(Cc2ccc(N3CCOCC3)cc2)C1 841886311 MAXUTUFINJOMOM-UHFFFAOYSA-N 324.446 1.142 10 10 DDCE O=S(=O)(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCNC1 923588439 YVCREVROUXSPCB-INIZCTEOSA-N 323.462 1.458 10 10 DDCE COC(=O)CCCC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 857302081 FYKRBGXIAKOZPP-CYBMUJFWSA-N 320.389 1.733 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CSCN3)C2)cc1 852901055 ZJEUBPOSHSTWFY-RISCZKNCSA-N 307.419 1.053 10 10 DDCE CN(C)c1ccc([C@H](N)CNC(=O)C(C)(C)n2cccn2)cc1 852791944 NTMYHQDVAKAWSW-OAHLLOKOSA-N 315.421 1.500 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3ccnn3C)C2)cc1 855229742 LVXUSZNDGUNZSM-GFCCVEGCSA-N 300.362 1.437 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3CCOC3)C2)cc1 855232220 REELBCJXYLNOPE-UONOGXRCSA-N 304.390 1.817 10 10 DDCE COc1cncc(CN2CCOc3cc(N(C)C)ccc32)n1 859217865 ORLFJOMSGXKVOG-UHFFFAOYSA-N 300.362 1.950 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CCn3ccnc3)C2)cc1 855230318 GERUSKNVXVDXGA-CQSZACIVSA-N 314.389 1.677 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 935943837 FZJULUOFJAYJLV-NZWSCEEYSA-N 308.374 1.918 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc2cccnn12 935944901 CJMNQUJVBYDGBZ-UHFFFAOYSA-N 317.345 1.851 10 10 DDCE COC(=O)CCNC(=O)CCNCc1ccc(N(C)C)cc1C 862528129 QFMFCJXVYBVLCR-UHFFFAOYSA-N 321.421 1.220 10 10 DDCE COC(=O)C1(CS(=O)(=O)N(C)Cc2ccccc2O)CC1 866834535 MOMCQPMPZCBMID-UHFFFAOYSA-N 313.375 1.107 10 10 DDCE C[C@H](NCC(C)(C)CS(N)(=O)=O)c1ccc(N(C)C)cc1 866573680 MUMXPSYCRLIEMQ-LBPRGKRZSA-N 313.467 1.718 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)c1 862754999 MXMPODIFHDBHAD-JCKZUZKGSA-N 300.358 1.232 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 772917141 JQLZIGMUGMCDRD-QMMMGPOBSA-N 320.305 1.534 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc3ccnn23)c1 1137473461 KDKFZBIELGJQML-SNVBAGLBSA-N 312.329 1.935 10 10 DDCE CN1CCCN(CCCNCc2ccc(F)c(F)c2O)CC1 894375509 LOSLZYGYFWPPQD-UHFFFAOYSA-N 313.392 1.788 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@H]1COc2ccccc2O1 1178409311 DCDNJJSBWUXMSJ-OAHLLOKOSA-N 303.289 1.988 10 10 DDCE Cn1cc([C@@H](NCCN=[N+]=[N-])C(=O)O)c(Br)n1 712425336 PPMMUHOLLXEXMG-ZCFIWIBFSA-N 303.120 1.208 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](O)C[C@H]2CO)c(Br)c1 698117154 UGJDGSIHRTWUKW-LSJOCFKGSA-N 315.211 1.401 10 10 DDCE C[C@](CO)(NC(=O)Cc1ccc(O)c(O)c1)c1ccc(O)cc1 1299960917 JPAUXHZBRRQMRR-QGZVFWFLSA-N 317.341 1.370 10 10 DDCE C[C@H](NC(=O)[C@@H](O)c1cnn(C)c1)c1ccc(N(C)C)cc1 1625544224 RWIOKTMJBDBOCL-NHYWBVRUSA-N 302.378 1.397 10 10 DDCE CC1(N2CCC2)CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1558101919 AHVCDBCBMRUCLI-UHFFFAOYSA-N 304.390 1.727 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)CCN(C)C)cc1C 1491570240 ZSPNQQKFKTXVNG-AWEZNQCLSA-N 307.438 1.550 10 10 DDCE COCCN(C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1691002579 LKFPMBDEZZBZJS-UHFFFAOYSA-N 307.354 1.157 10 10 DDCE COC(=O)[C@@H]1C[C@@H]2CCC[C@H]2N1C(=O)Cc1ccc(N)cc1 1866324321 UEHLAKCWMQYNSB-CFVMTHIKSA-N 302.374 1.754 10 10 DDCE Oc1c(F)cc(Br)cc1CNCC1OCCO1 1892572800 KDGOCTMNOYUJGV-UHFFFAOYSA-N 306.131 1.756 10 10 DDCE CCOc1cccc(CNCCC(=O)N=c2cc[nH]cc2)c1O 1857852372 VVVXWVWEQZWOAK-UHFFFAOYSA-N 315.373 1.726 10 10 DDCE CN(C)c1ccc(CNCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1 1857865210 AMSPAMKKYGICJE-CQSZACIVSA-N 319.405 1.165 10 10 DDCE CN1C(=O)CNC[C@@H]1c1cccc(NC(=O)OC(C)(C)C)c1O 1952681825 BXJCMJJKWLRTKE-GFCCVEGCSA-N 321.377 1.842 10 10 DDCE CS(=O)(=O)C1CN(c2ccc(CN)c(C(F)(F)F)c2)C1 2152280930 IOUYGFRKZWPVME-UHFFFAOYSA-N 308.325 1.397 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NCc2ccccc2O)C1 307857979 GKGRUBVUWNJITN-JSGCOSHPSA-N 308.378 1.462 10 10 DDCE CNC(=O)CN(C)c1cc(Br)c(CN)cc1F 310298004 MMOYXVGIQJLSOJ-UHFFFAOYSA-N 304.163 1.229 10 10 DDCE CC1(C)C[C@H](S(C)(=O)=O)CN1c1ccc(CO)cc1F 2179920145 OLMCNWSFUYLRBN-NSHDSACASA-N 301.383 1.720 10 10 DDCE CN(CC[S@@](C)=O)c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 399031026 QBVFKJHZQMNLQH-NSPYISDASA-N 301.799 1.107 10 10 DDCE CNCc1ccc(N2CC(=O)NC[C@@H]2C)cc1Br 2060845956 OKSQUBMYNDSSPY-VIFPVBQESA-N 312.211 1.493 10 10 DDCE CC1(C)OC[C@H](NCc2ccc(Br)cc2O)[C@H]1O 2078735086 WPDOGGIRPRBGIR-CMPLNLGQSA-N 316.195 1.783 10 10 DDCE CNCc1ccc(N2CC(CS(C)(=O)=O)C2)c(Cl)c1 2103205379 AUJODKOYISXUED-UHFFFAOYSA-N 302.827 1.540 10 10 DDCE COc1cccc(C=C2SC(=S)N(CC(=O)O)C2=O)c1 2293026456 MISPUNSRUZDIMK-UHFFFAOYSA-N 309.368 1.981 10 10 DDCE COc1cccc(CNN(C)S(=O)(=O)C2CCC2)c1O 2365316149 CYKFVRUQFHGQRE-UHFFFAOYSA-N 300.380 1.220 10 10 DDCE Cc1cnn(C[C@@H]2CN(C(=O)c3cccc(O)c3O)CCO2)c1 193065135 SWZGTMRLCLCAGZ-LBPRGKRZSA-N 317.345 1.144 10 10 DDCE O=C(CN1C(=O)CSC1=S)Nc1ccn2nccc2c1 238812872 ASPWLYRMXCFERC-UHFFFAOYSA-N 306.372 1.133 10 10 DDCE Cc1ccc(O)c(CNC[C@]2(CO)COCC3(CCC3)N2C)c1 527755691 VBFHSZHMCDDYHX-SFHVURJKSA-N 320.433 1.406 10 10 DDCE CC(=O)c1cc(F)cc(CN2CC[C@]3(CNC(=O)C3)C2)c1O 278971569 XXGXTBFDZBOYPX-INIZCTEOSA-N 306.337 1.446 10 10 DDCE CN(CC(=O)N1CCOC[C@@H]1C1CC1)Cc1ccccc1O 372319446 TXBHJGKJAXEPOP-OAHLLOKOSA-N 304.390 1.461 10 10 DDCE COC(=O)[C@H](C1CC1)S(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 2167088268 UQORFFXBBKEGHE-UWVGGRQHSA-N 302.356 1.043 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O 808508199 VUDLYZLHCPJTJY-LBPRGKRZSA-N 323.732 1.394 10 10 DDCE CC(=O)C(=O)COC(=O)c1csc(-c2ccc(O)cc2)n1 808512457 KKWSLSHOXQHSST-UHFFFAOYSA-N 305.311 1.831 10 10 DDCE COc1ccc(N2CC[C@@H](CNC(=O)Cn3ccnc3)C2)cc1 819583911 CACXSGMERRTRAG-AWEZNQCLSA-N 314.389 1.534 10 10 DDCE C[C@@H]1C(=O)N(C)CN1C(=O)NCc1ccc(N2CCCC2)cc1 825720754 DDSOMGSQGAYWTD-CYBMUJFWSA-N 316.405 1.616 10 10 DDCE COc1ccc(N(C)Cc2cnnn2[C@H]2CCCNC2)cc1 903932817 WBKVEUPTAWDLDG-AWEZNQCLSA-N 301.394 1.848 10 10 DDCE OC[C@]1(O)CCCN(Cc2cccc(Br)c2O)C1 839152748 BNUJJMNIBJIBQJ-ZDUSSCGKSA-N 316.195 1.474 10 10 DDCE c1cc(N2CCOCC2)ccc1Cn1cc([C@H]2CCOC2)nn1 900604347 NDKKJVAEVXXVNK-HNNXBMFYSA-N 314.389 1.667 10 10 DDCE COC(=O)[C@@H](NCc1cccc(Cl)c1O)c1ccnn1C 843429386 CFBSSSPWPQSESS-LBPRGKRZSA-N 309.753 1.783 10 10 DDCE C[C@@H]1CNCC[C@@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 841990434 YDCFQNCYLOIWTG-CJNGLKHVSA-N 304.438 1.892 10 10 DDCE COc1cc(NS(=O)(=O)C[C@H](OC)C2CC2)ccc1O 842585464 DKQXRDDWNIYQHE-ZDUSSCGKSA-N 301.364 1.568 10 10 DDCE Cc1cc(N(C)C)ccc1CNC[C@H]1CCCCN1CCO 840949735 APGXCCZGSWZSCA-GOSISDBHSA-N 305.466 1.997 10 10 DDCE Cc1cc(CCNC(=O)NCc2c(O)cccc2F)nn1C 926386629 IMVMQVZDUKLQJZ-UHFFFAOYSA-N 306.341 1.615 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3C[C@]3(C)OC)C2)cc1 852450901 YZVOSFRXHKERPO-VMGRFDJRSA-N 319.405 1.751 10 10 DDCE COC(=O)CCNC(=O)CCNCc1cc(Cl)ccc1O 858292346 GLKGGOJATUGPDJ-UHFFFAOYSA-N 314.769 1.205 10 10 DDCE C[C@H]1CC[C@H](NC(=O)NCc2ccccc2O)CS1(=O)=O 853571170 WXJXCKWWJMCZHH-JQWIXIFHSA-N 312.391 1.157 10 10 DDCE C[C@H]1C[C@@H](NCc2ccc(N3CCOCC3)cc2)c2ncnn21 850352402 URNBQLXYCYHSHB-XJKSGUPXSA-N 313.405 1.910 10 10 DDCE CN(C)c1ccc(CNC(=O)N[C@@H]2C[C@H](O)C23CCC3)cc1 853244159 FQMPDBURFWAHPT-CABCVRRESA-N 303.406 1.855 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3coc(CN)c3)C2)cc1 852844493 VEFWDKWDMXHDBG-ZDUSSCGKSA-N 315.373 1.756 10 10 DDCE COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1ccc2cccnc2c1O 862026443 OJKPFERWGRUXNE-NWDGAFQWSA-N 300.314 1.366 10 10 DDCE CCOc1ccc(O)c(CN2CCN(c3nccnn3)CC2)c1 862437376 RCNHXKOXPDKFPJ-UHFFFAOYSA-N 315.377 1.298 10 10 DDCE Oc1c(Br)cccc1CN1C[C@@H](O)C[C@@H](O)C1 769564300 PGCIIAIIMRAKIN-AOOOYVTPSA-N 302.168 1.082 10 10 DDCE COCCOCCOCCCC(=O)N1Cc2cccc(O)c2C1 871206220 WSMDYXJSGWNULF-UHFFFAOYSA-N 323.389 1.694 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCC[C@](O)(CN(C)C)C2)c1O 878867498 GTZXSFNAXDPSRL-KRWDZBQOSA-N 324.396 1.622 10 10 DDCE C[C@H](NC(=O)c1cc([C@H]2CCNC2)[nH]n1)c1ccccc1O 870987680 AFCNBDYGZZPXEX-QWRGUYRKSA-N 300.362 1.683 10 10 DDCE COC(=O)c1cncc(NC(=O)c2ccc(C)c(O)c2O)c1 780983692 NPIJPAMRALRZNX-UHFFFAOYSA-N 302.286 1.840 10 10 DDCE CC[C@](C)(NC(=O)c1cc2cc(O)c(O)cc2s1)C(N)=O 1304169831 BFPPHQLMMUIDJX-AWEZNQCLSA-N 308.359 1.696 10 10 DDCE C[C@@H](c1cc(Cl)ccc1O)N1CC[C@@H](NS(C)(=O)=O)C1 705576463 IIMIACHQSRACQL-GXSJLCMTSA-N 318.826 1.730 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)[C@@]23COC[C@@H]2C3)cc1C 1274759745 FVCUPKCCTIPYOP-XUWXXGDYSA-N 318.417 1.634 10 10 DDCE C/C(=C\C(=O)N1CC(=O)N(C)c2ccccc21)c1cnccn1 1532493072 DGKNIQRAOQYFPW-FMIVXFBMSA-N 308.341 1.890 10 10 DDCE CC(=O)Nc1ccc(CC(=O)NCc2cc(O)ccc2O)cc1 1471660904 MNONBCBFAONKTQ-UHFFFAOYSA-N 314.341 1.915 10 10 DDCE COc1cccc(CNC(=O)[C@@]23CCC[C@]2(OC)OCC3)c1O 1622779255 LWTVXSUJYSDTEO-IRXDYDNUSA-N 321.373 1.950 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H](O)c2cnn(C)c2)c1 1622778906 AQLPNEDTCIOBTR-XPTSAGLGSA-N 305.334 1.045 10 10 DDCE Cn1ccnc1[C@H]1N(C(=O)Cc2ccc(O)c(O)c2)CC1(C)C 1628017629 HUWDWKGGURRSQF-OAHLLOKOSA-N 315.373 1.984 10 10 DDCE C[C@@H](O)C[C@@H]1COCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1624863610 GXGQKWKWOJRAAZ-ZWNOBZJWSA-N 320.349 1.461 10 10 DDCE O=C(COCCc1ccccc1)NCc1ccc(O)cc1O 1639444559 PLZQHFISLZTUFX-UHFFFAOYSA-N 301.342 1.973 10 10 DDCE C[C@H]1CN(C(=O)Cc2ccc(O)c(O)c2)C[C@@]2(CCCOC2)O1 1634156944 XGMDLCBYJKMRET-YVEFUNNKSA-N 321.373 1.437 10 10 DDCE CCNCc1ccc(N2CCNC(=O)C2)c(C(F)(F)F)c1 163661027 PEAZDSKWQIYVEG-UHFFFAOYSA-N 301.312 1.751 10 10 DDCE COc1ccc(N2CCC(N[C@H]3CCC(=O)N(C)C3)CC2)cc1 152420211 HVJBEGPCOGIBHN-HNNXBMFYSA-N 317.433 1.874 10 10 DDCE CNCc1ccc(N2C[C@H]3C(C(N)=O)[C@@H]3C2)cc1Br 2136616106 YUJMXVFQEOBNCJ-GHMZBOCLSA-N 324.222 1.336 10 10 DDCE COc1cc(Cl)cc(CN2CCOC[C@@H]2C(=O)O)c1O 229119229 SSEHGBRFIKZGBH-SNVBAGLBSA-N 301.726 1.340 10 10 DDCE Nc1csc(S(=O)(=O)NCCc2ccc(O)c(O)c2)c1 2148007767 LSPZLSUYYDPDJD-UHFFFAOYSA-N 314.388 1.263 10 10 DDCE C[S@](=O)C1CN(c2cc(Br)c(CN)cc2F)C1 2004525416 GNZRAGIKURTFFT-KRWDZBQOSA-N 321.215 1.614 10 10 DDCE CS(=O)(=O)[C@H]1CC[C@@H](NCc2ccc(F)c(F)c2O)C1 2145392647 PJEXYANSWURVQG-ZJUUUORDSA-N 305.346 1.726 10 10 DDCE CC(=O)NCCN(C)c1ccc(CN)c(Br)c1F 308202811 FVVVBZINZRXILS-UHFFFAOYSA-N 318.190 1.619 10 10 DDCE C[C@H]1C[C@](NCCN=[N+]=[N-])(C(N)=O)CN1Cc1ccccc1 309969030 HRXFWIHCQKEOHB-SWLSCSKDSA-N 302.382 1.405 10 10 DDCE CC[C@H](NC[C@@H](O)[C@@H](C)O)c1cc(Br)ccc1O 717319682 WHCTXZZCZZJBPR-YDEJPDAXSA-N 318.211 1.937 10 10 DDCE C[C@H]1[C@@H](C(F)(F)F)OCCN1C(=O)Cc1ccc(O)c(O)c1 2062779639 KKBIGYWOYAEJAX-SDBXPKJASA-N 319.279 1.819 10 10 DDCE C[C@@H](c1c(O)cccc1F)n1ncc(C(=O)NC2CC2)c1O 2070494707 RCJAQPNQUZRFBZ-QMMMGPOBSA-N 305.309 1.935 10 10 DDCE COc1cccc(O)c1CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 2170637615 VFVNDBVPGOYIFC-WDEREUQCSA-N 301.408 1.654 10 10 DDCE C[C@@H]1CC[C@@H](COc2nnc(=N)[nH]n2)N(C(=O)OC(C)(C)C)C1 2210643336 JGIRPNMRVVTDRJ-ZJUUUORDSA-N 324.385 1.094 10 10 DDCE CSc1ncc(CNC(=O)N[C@H]2C=C[C@@H](C(=O)O)C2)s1 2284501786 UWQAZFKCHQEMTM-SFYZADRCSA-N 313.404 1.694 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CNCCSC2)s1 2257027580 UULUWJFEERUAAY-QMMMGPOBSA-N 303.478 1.434 10 10 DDCE CSc1ncc(CNC(=O)N(C)[C@H]2C[C@@H](C(=O)O)C2)s1 2284545073 WASILRKBYUFSAD-OCAPTIKFSA-N 315.420 1.870 10 10 DDCE Cc1ccc(CN[C@@H]2CCOC[C@@H]2O)c(O)c1Br 2327629755 PRXFRIAHPOWCBJ-MNOVXSKESA-N 316.195 1.703 10 10 DDCE COc1cc2c(cc1OC)N([C@H]1CCS(=O)(=O)C1)CCN2 213730207 JBVGKDAWHCBJFR-JTQLQIEISA-N 312.391 1.123 10 10 DDCE CCN1CN(C(=O)NCc2ccc(N(CC)CC)cc2)CC1=O 189772469 NJJCUEWHAUVTHZ-UHFFFAOYSA-N 318.421 1.864 10 10 DDCE COC[C@H](O)CN(C)c1ccc([C@H](C)N)c(Br)c1 234708866 JVHFEANOSVXSIZ-GXSJLCMTSA-N 317.227 1.912 10 10 DDCE CCn1ncc(C(=O)NCc2c(O)ccc3c2CCCC3)n1 293772201 SPOFUCLHXDFYIY-UHFFFAOYSA-N 300.362 1.812 10 10 DDCE COCCONC(=O)NCc1cc(Br)ccc1O 805392002 FANDANPDYVOEPM-UHFFFAOYSA-N 319.155 1.532 10 10 DDCE C[C@H]1CCN(CC(=O)N2CCOc3cc(N(C)C)ccc32)C1 568200121 QFTRAXJWVXQZPR-ZDUSSCGKSA-N 303.406 1.820 10 10 DDCE CCOC(=O)C(F)(F)[C@H](N)c1cc(O)c(O)c([N+](=O)[O-])c1 725391466 KNLBFIFIUYLLDP-SECBINFHSA-N 306.221 1.204 10 10 DDCE COC(=O)[C@@H]1CO[C@H](CCC(=O)N2Cc3cccc(O)c3C2)C1 825356078 IWHYKUVLIMATHP-QWHCGFSZSA-N 319.357 1.593 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)C[C@@]2(O)CCCN(C)C2)c1 901127522 JYWPYESGSQZNHW-SJCJKPOMSA-N 322.405 1.425 10 10 DDCE C[C@H](NC(=O)[C@@]1(C)CCCS1(=O)=O)c1ccc(N(C)C)cc1 907492454 KQZJNZWMSOVRJW-BLLLJJGKSA-N 324.446 1.897 10 10 DDCE COc1ccc(N2CCN(C[C@H](O)C3(O)CCCC3)CC2)cc1 905873564 BSXKGHAEUSDSMP-KRWDZBQOSA-N 320.433 1.483 10 10 DDCE COc1ccnc(N2CCN(C(=O)c3cc(O)cs3)CC2)n1 732273596 FBONAYSIWIKEIQ-UHFFFAOYSA-N 320.374 1.215 10 10 DDCE O=C(O)c1cc(O)ccc1NS(=O)(=O)CC[C@H]1CCOC1 837285021 RHHSSYMXRRAIIN-SECBINFHSA-N 315.347 1.259 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCCS(=O)(=O)CC2)cc1 835029370 PRLDIKLAXMFDHY-HWKANZROSA-N 308.447 1.886 10 10 DDCE C[C@H](CN1CCN(C)CC1)NC/C=C\c1ccc(N(C)C)cc1 835038165 NXBNWPAAJSQICU-KEGWNNHHSA-N 316.493 1.991 10 10 DDCE COC(=O)/C(C)=C\CNC(=O)NCc1ccc(N(C)C)c(F)c1 915366775 SVTGHNUHTLTDBP-XFFZJAGNSA-N 323.368 1.810 10 10 DDCE CCOc1cccc(CN2CN(CCN(C)C)C(=O)[C@@H]2C)c1O 843427627 AQEQNJMGLQSYIE-ZDUSSCGKSA-N 321.421 1.343 10 10 DDCE C[C@@H]1O[C@H](C)[C@H](NCC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C 859828264 TWDVOHNCPLKMMS-UYAYXHRUSA-N 319.449 1.770 10 10 DDCE O=C(NCc1c(O)cccc1F)C1(n2cnnn2)CCCCC1 928704983 BSPKOYJSWACMDS-UHFFFAOYSA-N 319.340 1.494 10 10 DDCE C[C@@H](NC[C@H]1CC2(CCNCC2)C(=O)O1)c1ccccc1O 925857422 ZSZRQTMNPBFLOD-CHWSQXEVSA-N 304.390 1.728 10 10 DDCE COC1(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 856209680 XNIRFOPQOSPILG-UHFFFAOYSA-N 304.390 1.443 10 10 DDCE CCCN(Cc1ccccc1O)C[C@H](O)C1(O)CCOCC1 929753422 PWWOLVQYMIAHTR-INIZCTEOSA-N 309.406 1.507 10 10 DDCE NC1(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 852882367 FEOGQNHWGMWBHV-AWEZNQCLSA-N 304.390 1.781 10 10 DDCE CO[C@H]1CCn2cc(C(=O)NCc3ccccc3O)nc2C1 866756215 STVNFSMXRUDHGZ-LBPRGKRZSA-N 301.346 1.480 10 10 DDCE Oc1cc2c(cc1CN1CCC[C@@H]3COCC[C@H]31)[C@@H](O)CO2 768463675 LDXMEBZLTBXZDR-XFJVYGCCSA-N 305.374 1.819 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cc(-n2ccnc2)ccn1 778913808 INDLQRDMSTVKDZ-UHFFFAOYSA-N 324.340 1.651 10 10 DDCE Cc1cc(N(C)C)ccc1CN[C@H]1C(=O)NCC12CCOCC2 895768632 JEGNJXHYZQOEGV-INIZCTEOSA-N 317.433 1.446 10 10 DDCE COC(=O)[C@@H]1C[C@@H]1CNC(=O)NCc1cccc(OC)c1O 891236944 FCWRTGFLHRCBTG-GHMZBOCLSA-N 308.334 1.009 10 10 DDCE C[C@@H](NC(=O)CCC[C@]1(C)NC(=O)NC1=O)c1ccccc1O 1302530286 JQZOPFRLSXNPCX-HWPZZCPQSA-N 319.361 1.338 10 10 DDCE CC1(F)CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 1321658231 KBUKHTMJOREIQN-UHFFFAOYSA-N 319.380 1.473 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2CC23CC3)cc1C 1320280909 LQGDKQXNSTZEMA-CABCVRRESA-N 318.417 1.370 10 10 DDCE COc1nn(C)cc1CNC(=O)/C=C\c1ccc(O)c(O)c1 1180305994 AQEIPSHAJIWESK-XQRVVYSFSA-N 303.318 1.170 10 10 DDCE C[C@@H](NCC(C)(C)NS(C)(=O)=O)c1cc(F)ccc1O 94618236 PQCIOECVJLLEFT-SECBINFHSA-N 304.387 1.510 10 10 DDCE O=S1(=O)CC(CCNCc2ccc(N3CCCC3)cc2)C1 1343413323 FJGFJIRDXGPMMB-UHFFFAOYSA-N 308.447 1.811 10 10 DDCE CCCCC(=O)NC[C@H](C)NC(=O)c1cc(OC)nc(OC)c1 1354245210 VPLRAZHEJXDJBE-NSHDSACASA-N 323.393 1.524 10 10 DDCE CCN1CC[C@H](N(C)C(=O)Cc2ccc(O)c(O)c2)C[C@H]1C 1444621173 XQLROOSTWKNDIP-OCCSQVGLSA-N 306.406 1.972 10 10 DDCE C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1O 1454817809 MDZVNYLAPIPGNN-QMMMGPOBSA-N 302.290 1.769 10 10 DDCE CC(C)(CC(N)=O)NC(=O)c1cc2cc(O)c(O)cc2s1 1466759567 TZOSRGQHMSDISC-UHFFFAOYSA-N 308.359 1.696 10 10 DDCE CCOC(=O)[C@@H]1CSCCN1C(=O)c1cccc(O)c1O 1463525431 MPPVIYRTCWQTSK-JTQLQIEISA-N 311.359 1.219 10 10 DDCE CCOC(=O)c1cnc(NCc2c(O)cccc2O)nc1C 1612967152 RCJMOOBSLOOOGS-UHFFFAOYSA-N 303.318 1.985 10 10 DDCE CCN(CC)c1ccc(CNC(=O)Cn2nccc2N)cc1F 1628769873 MYSFSBMZIXHUQQ-UHFFFAOYSA-N 319.384 1.767 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cn(-c2ccccc2)nn1 1558173996 AZENRQZAPWODFA-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](c2cnccn2)C1 1558525328 RGXOHPTXKGEWTD-QDOCKXBDSA-N 311.341 1.917 10 10 DDCE Cc1nn(-c2cccnc2)nc1C(=O)NCc1ccccc1O 1636057388 BDLFIMSVDQRXGU-UHFFFAOYSA-N 309.329 1.606 10 10 DDCE C[C@@]1(C(F)F)CN(C(=O)Cc2ccc(O)c(O)c2)CCO1 1585274380 YBGMMHSMTZMXOL-AWEZNQCLSA-N 301.289 1.523 10 10 DDCE C[C@@]1(C(=O)N(CC(N)=O)Cc2ccc(N)cc2)CCCS1 164522348 WXGQGDKKTAWQGV-HNNXBMFYSA-N 307.419 1.368 10 10 DDCE Cc1c(O[C@H](C)C(=O)O)c(=O)ccn1Cc1ccc(N)cc1 1857919987 IKJFEZSCLIGHSR-LLVKDONJSA-N 302.330 1.639 10 10 DDCE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CC[C@@H](N=[N+]=[N-])C2)C1 1985094339 NLZMHFVHQBASIE-SNVBAGLBSA-N 324.385 1.107 10 10 DDCE COCCNCc1ccc(N2C[C@@H](O)[C@H](F)C2)c(Cl)c1 2149260598 YSNWECSAXVKYBM-TZMCWYRMSA-N 302.777 1.595 10 10 DDCE Nc1ccc(CNC(=O)c2ncc(Br)cn2)cc1 2027319586 MYHKOMKWGAIKMS-UHFFFAOYSA-N 307.151 1.751 10 10 DDCE Cc1cc(CO)ccc1N1CC(CS(=O)(=O)C(F)F)C1 2173171651 ROMKCDFWNHYLFP-UHFFFAOYSA-N 305.346 1.561 10 10 DDCE COC[C@](C)(CO)N(C)c1ccc(CO)cc1Br 689233961 SHQZLLNNBOICRN-ZDUSSCGKSA-N 318.211 1.775 10 10 DDCE CCNCc1ccc(N2CC(C(N)=O)C2)c(Br)c1 381987018 GRLKDJMFZKZBCJ-UHFFFAOYSA-N 312.211 1.480 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NCCN3CCC(C)CC3)c2n1 2063558112 PZYPUVNBBHWLRM-UHFFFAOYSA-N 317.393 1.205 10 10 DDCE CN1CCc2cc(CC(=O)NCc3c(O)cccc3O)ccc21 2065226140 IXCJNOPPCTWMIF-UHFFFAOYSA-N 312.369 1.949 10 10 DDCE CN(C)c1ccc(CN=c2[nH]cnc(N)c2Br)cc1 2104187875 UZYBHWAORULXFF-UHFFFAOYSA-N 322.210 1.921 10 10 DDCE Oc1ccnc(CCNCc2ccc(Br)cc2O)n1 2106923998 NBWMJENUKSQEPP-UHFFFAOYSA-N 324.178 1.983 10 10 DDCE COc1ncc(S(=O)(=O)N[C@@H]2CCC[C@@H]2N=[N+]=[N-])s1 2225797343 FGXZWFBTSTXNCT-NKWVEPMBSA-N 303.369 1.661 10 10 DDCE COc1ccc(C=C2C(=O)NN(c3ccccc3)C2=O)cc1O 2297329451 KMGLDUZEVVKMEO-UHFFFAOYSA-N 310.309 1.862 10 10 DDCE Cc1ccc(CN[C@H]2CCONC2)c(O)c1Br 2307570782 QIOOJBQEXGVMEL-JTQLQIEISA-N 301.184 1.846 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCCC[C@@H]2N)s1 2349503688 YYSMBAJEASMDPN-CABZTGNLSA-N 301.437 1.679 10 10 DDCE C=CC(=O)NCCC(=O)NCc1c(O)ccc2c1CCCC2 121778608 SRVJGRIGZKQDAP-UHFFFAOYSA-N 302.374 1.580 10 10 DDCE O=C1NC(=O)[C@@]2(CCCN(Cc3cc(Cl)ccc3O)C2)N1 193465560 MFYABKBHPHAOEF-AWEZNQCLSA-N 309.753 1.220 10 10 DDCE Cc1cc(N2CC[C@H](S(=O)(=O)C(F)F)C2)ccc1CN 2368590252 FALRMZUUUYUUOD-LBPRGKRZSA-N 304.362 1.670 10 10 DDCE CS(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 92558854 DSDXPJFUJIVAOT-UHFFFAOYSA-N 323.462 1.268 10 10 DDCE CC(C)(C)OC(=O)NC/C=C/CNCc1ccc(O)c(O)c1O 232507518 BZPCOXFCPWWEHV-SNAWJCMRSA-N 324.377 1.974 10 10 DDCE CC(C)NCCS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-] 722223109 DOQFMMSVMWPHHA-UHFFFAOYSA-N 303.340 1.040 10 10 DDCE CN1C(=O)CC[C@H](NC/C=C\c2ccc(N(C)C)cc2)C1=O 818233851 PJURUABRWALUEP-XVWMLYKFSA-N 301.390 1.503 10 10 DDCE O=C(NCc1cccc(Br)c1O)[C@H](O)C1CCC1 831158298 FIQUISJTQFKWFW-GFCCVEGCSA-N 314.179 1.932 10 10 DDCE CN(C)c1ccc(/C=C\CN2CC[C@@H](NS(C)(=O)=O)C2)cc1 835026894 YJPOXSTYJXVJMA-FOSCPCJNSA-N 323.462 1.389 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NCCc2cn(C)cn2)c1 838744011 ZKMOEAGOTANULR-LLVKDONJSA-N 318.377 1.737 10 10 DDCE COCCCNC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 849224281 AQDSAMVMIQFRCQ-CYBMUJFWSA-N 307.394 1.610 10 10 DDCE CCNCc1ccc(N(C)[C@H](C)CS(C)(=O)=O)c(F)c1 688561059 RPKYGMBUOAEYMM-LLVKDONJSA-N 302.415 1.805 10 10 DDCE CC[C@@H](NC[C@H](O)CS(C)(=O)=O)c1cccc(Cl)c1O 927024460 KVYSNVIFZIDJHG-JOYOIKCWSA-N 321.826 1.492 10 10 DDCE CC[C@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H](C)O 857302632 XDRGTIAPDAVMTH-WWGRRREGSA-N 306.406 1.797 10 10 DDCE COc1cc(C)cc(CN2CCC[C@H]2C(=O)NC2CC2)c1O 754720996 YXXLYXJGPVXDMW-AWEZNQCLSA-N 304.390 1.952 10 10 DDCE Cc1ccc(O)c(CNC(=O)Nc2cnc(N(C)C)nc2)c1 860811967 MINULYXPKYMKAH-UHFFFAOYSA-N 301.350 1.878 10 10 DDCE C[C@H](O)[C@@H]1CN(Cc2cc(F)c(N(C)C)cc2F)CCO1 862393949 AEEXTRFHOLMMPT-BONVTDFDSA-N 300.349 1.612 10 10 DDCE CN(C)c1ccc(CN2C(=O)N[C@]3(CCSC3)C2=O)cc1 760947090 HIYHRHMLUPDCBE-HNNXBMFYSA-N 305.403 1.680 10 10 DDCE C[C@H](NC[C@@H](O)CC(C)(C)O)c1ccc(N2CCOCC2)cc1 872200299 ZLNNRPSYWYWTOC-YOEHRIQHSA-N 322.449 1.696 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1noc(C2CC2)n1 779539199 BTMUBCSZUPFAHL-QHHAFSJGSA-N 301.302 1.688 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1ccnn1C 885981046 MWDJMLDQHPSWRX-QZPNVGJNSA-N 301.346 1.592 10 10 DDCE CO[C@@H]1CCOC[C@H]1NC(=O)NCc1cccc(Cl)c1O 898077755 JBBZACKAHUSRMV-VXGBXAGGSA-N 314.769 1.649 10 10 DDCE CNC(=O)C1(NCc2cc(C)cc(OC)c2O)CCOCC1 895886828 XOPNMNGEVZTINS-UHFFFAOYSA-N 308.378 1.094 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1c[nH]nc1Br 1163454471 HKNSHOGICLDOOX-UHFFFAOYSA-N 312.123 1.765 10 10 DDCE [N-]=[N+]=NCCNC(=O)c1cc([N+](=O)[O-])ncc1Br 701323457 SKBOUSZEOPNTEK-UHFFFAOYSA-N 315.087 1.792 10 10 DDCE COC(=O)[C@@H]1C[C@H](O)CN1C/C=C/c1ccc(N(C)C)cc1 1328108979 WETVYMMCOYYAEI-SWJNODNISA-N 304.390 1.374 10 10 DDCE COC(=O)/C=C\[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1181338708 NHIROHPIVCJDGN-ZJKYJLCHSA-N 304.306 1.697 10 10 DDCE COCC1(C(=O)N(C)CCNCc2ccc(OC)c(C)c2)CC1 1266774469 AOWZRFGNCLCVGF-UHFFFAOYSA-N 320.433 1.978 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2CC2(C)C)cc1C 1272398018 LIVVVIKGRIMHRD-CABCVRRESA-N 320.433 1.616 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)cc1 1292122902 XYNJQQSZBCGHCP-LBPRGKRZSA-N 301.350 1.816 10 10 DDCE COc1cccc(CNC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)c1O 1545681924 JDCILDRBGMWPAR-NXEZZACHSA-N 315.391 1.086 10 10 DDCE Cc1ccc(O)c(NC(=O)CCN2C(=O)CSC2=S)c1 1865769347 XKNAVRNHNAGSKP-UHFFFAOYSA-N 310.400 1.890 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 1622157639 YVFKOUNCVCPTBL-NSHDSACASA-N 317.305 1.126 10 10 DDCE COC(=O)CN(C(=O)Cc1ccc(O)c(O)c1)C1CCCC1 1622703925 QCQMDISLVBPNJD-UHFFFAOYSA-N 307.346 1.585 10 10 DDCE C[C@H]1CN(CCN(C)C(=O)Cc2ccc(O)c(O)c2)C[C@@H](C)O1 1640045104 GUIRXPOFEPDXQZ-BETUJISGSA-N 322.405 1.208 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(CCO)cc1 1653431056 MOIMQYPDMDGGDE-SOFGYWHQSA-N 313.353 1.962 10 10 DDCE CSCc1n[nH]c(CNC(=O)c2ccc(C)c(O)c2O)n1 1596394683 WONROYFDRLGRQE-UHFFFAOYSA-N 308.363 1.317 10 10 DDCE Cn1nc(C(=O)NCc2cc(N)ccc2O)c(Cl)c1Cl 2150714239 CNFSMKDPHFGBDM-UHFFFAOYSA-N 315.160 1.945 10 10 DDCE COC[C@H](CNS(=O)(=O)Cc1ccc(N)cc1)C(C)C 2143870927 OXQNWORHJSYCRJ-ZDUSSCGKSA-N 300.424 1.607 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)Nc1ccc(N)cc1 1993238092 PJMPPXBZQDISRN-OLZOCXBDSA-N 321.377 1.578 10 10 DDCE CN(C)[C@H]1CN(c2ccc(CO)cc2Br)C[C@H]1O 2029434782 LAVHBCPKXUTLSH-QWHCGFSZSA-N 315.211 1.053 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@@]3(CO)C2)c(Br)c1 2029636748 WYERFBNADOVIGP-FZMZJTMJSA-N 311.223 1.987 10 10 DDCE CN1CCOC[C@H]1CNCc1ccc(Br)cc1O 704010909 YLBBGSMPUUGQFQ-GFCCVEGCSA-N 315.211 1.575 10 10 DDCE C[C@H](O)c1ccc(N2CC(CS(=O)(=O)C(F)F)C2)cc1 2173170491 KGAXDQBFTVYDMF-VIFPVBQESA-N 305.346 1.814 10 10 DDCE Cc1cc(O)n2ncc(C(=O)Nc3ccc4c(n3)CCC4)c2n1 2062068674 YOQOOKQDNCDYHX-UHFFFAOYSA-N 309.329 1.879 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC(C)(CC(F)F)C3)c2n1 2062189010 NCJGSLGXOQBQCN-UHFFFAOYSA-N 310.304 1.861 10 10 DDCE Cc1cn2c(n1)CC[C@H](C(=O)NCc1c(O)cccc1O)C2 2063083524 IDPPIFZBXVMZBL-NSHDSACASA-N 301.346 1.482 10 10 DDCE C[C@H]1[C@@H](C)N(c2ccc([C@@H](C)O)cc2F)CCS1(=O)=O 2170330518 QBZGBLBKUJGVAP-MXWKQRLJSA-N 301.383 1.891 10 10 DDCE CN(c1ccc(CN)c(Br)c1)[C@H]1CCCNC1=O 2051439800 MCHNENZABCLRON-LBPRGKRZSA-N 312.211 1.623 10 10 DDCE CNCc1ccc(N2CC(=O)N[C@@H]3CC[C@H]32)c(Br)c1 2112063848 ZBJNTYAFLWWWFD-DGCLKSJQSA-N 324.222 1.636 10 10 DDCE CCO[C@H]1CNC[C@@H]1C(=O)NCc1cnc(SC)s1 2269089891 HNGREDLUAUQQQG-UWVGGRQHSA-N 301.437 1.106 10 10 DDCE CSc1ncc(CNC(=O)N[C@H](C)[C@H](C)C(=O)O)s1 2269120274 ZFEDZZMDFOHRDM-NKWVEPMBSA-N 303.409 1.773 10 10 DDCE C[C@H](N)c1ccc(N2CC(O)(C(F)(F)CO)C2)c(Cl)c1 2288532114 DNWAUCLIGFZBMK-QMMMGPOBSA-N 306.740 1.538 10 10 DDCE Cc1ccc(CNC(=O)[C@]2(N)C[C@H]2C)c(O)c1Br 2327595789 HXRALRMWZWQYIO-OQPBUACISA-N 313.195 1.817 10 10 DDCE Cc1ccc(CN(C)C[C@@H](O)CCN)c(O)c1Br 2327603340 PKCBSMOKHBPDSD-NSHDSACASA-N 317.227 1.605 10 10 DDCE NCc1cc(F)c(N2[C@H]3CC[C@@H]2C[C@@H](O)[C@H]3O)cc1Cl 2357055332 UORPBWDJMNECOD-VAYSNVFOSA-N 300.761 1.401 10 10 DDCE Nc1ccc(-c2csc(NS(=O)(=O)c3c[nH]cn3)n2)cc1 70415294 JMGWGRVKVOMDBI-UHFFFAOYSA-N 321.387 1.916 10 10 DDCE CN(Cc1cccs1)C(=O)[C@@H](N)Cc1ccc(O)c(O)c1 42273458 QYMBISPAFNMBEM-LBPRGKRZSA-N 306.387 1.688 10 10 DDCE COc1cc(Cl)c(N2CC[C@@H](O)C[C@H]2CO)c(OC)c1 2368100364 GYERNKGZMKVNKV-VHSXEESVSA-N 301.770 1.679 10 10 DDCE COC[C@@H]1CNCCN1c1c(Cl)cc(OC)cc1OC 2368113168 JNFKNGIFCSKYGX-JTQLQIEISA-N 300.786 1.782 10 10 DDCE COc1cc(Cl)c(N2CCO[C@@H]([C@@H](C)O)C2)c(OC)c1 2368268187 ICCDWARKYIJGLE-NOZJJQNGSA-N 301.770 1.943 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@@H]3CSC(=O)N3)ccc21 81305656 SENOYGAMKDZTRN-LBPRGKRZSA-N 305.403 1.510 10 10 DDCE COc1ccc(-n2nc(C(=O)OCC(=O)C(C)=O)cc2C)cc1 808532894 PLYSSQKDORJMDJ-UHFFFAOYSA-N 316.313 1.504 10 10 DDCE Cc1cc(CN2CCC[C@H]2CS(N)(=O)=O)ccc1N(C)C 815070667 XTYARQYLUPEZER-AWEZNQCLSA-N 311.451 1.314 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@@H]3CN(C)C[C@H]32)c1O 814173329 JVVWLAKKKSSKTJ-ZWNOBZJWSA-N 307.350 1.445 10 10 DDCE COc1ccc(N2CCN(C(=O)CC3COC3)CC2)cc1F 900997531 GJVLMSITOHLXIV-UHFFFAOYSA-N 308.353 1.519 10 10 DDCE CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CC(N)=O)cc1 912106123 IFDPTDWLYVTKHL-UHFFFAOYSA-N 317.311 1.519 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CC[C@H]2NCC[C@H]2C1 843128312 VTRVDQUOWMKQIF-FUHWJXTLSA-N 301.434 1.707 10 10 DDCE CCC[C@@H](C)[C@H](CO)NCC(=O)NCc1ccc(N(C)C)cc1 844380368 SWMAVBYTTRZKMM-PBHICJAKSA-N 321.465 1.756 10 10 DDCE COc1ccc(N2CC[C@@H](N3C(=O)N[C@H](CF)C3=O)C2)cc1 849358520 XMADWINZMWPPPC-DGCLKSJQSA-N 307.325 1.164 10 10 DDCE CC[C@@H]1CO[C@@H](C)CN1Cc1cc(O)n2ncc(C(=O)O)c2n1 846228801 DXLITRSBUOTVKJ-GXSJLCMTSA-N 320.349 1.132 10 10 DDCE COc1cc(O)c(CNC[C@H]2CN(C3CC3)C(=O)O2)cc1OC 848928644 JNTRLPYFQGSMJY-LBPRGKRZSA-N 322.361 1.482 10 10 DDCE C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)NCc1c(O)cccc1F 921435033 TXAZPDPNDNGANA-HZMBPMFUSA-N 307.369 1.813 10 10 DDCE CS(=O)(=O)CCCCOC(=O)/C=C/c1ccc(O)c(O)c1 759598884 ZQMNIWDLKZRQIZ-FNORWQNLSA-N 314.359 1.479 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)O)C2)cc1 854300841 BJUXMAUKFQTWQB-LBPRGKRZSA-N 307.394 1.344 10 10 DDCE Cc1ccc(O)c([C@@H](C)NCC[C@@H]2CNCCS2(=O)=O)c1 925801445 WYDWXWCVDDKJBA-CHWSQXEVSA-N 312.435 1.128 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)C3(OC)CCC3)C2)cc1 855225933 MFVNGQAOUOKZPP-ZDUSSCGKSA-N 304.390 1.959 10 10 DDCE O=C(c1cccc(O)c1O)N1CCO[C@H](CC(F)(F)F)C1 856356216 NCQAKARZCYKHHV-MRVPVSSYSA-N 305.252 1.891 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)C2CCN(OC)CC2)c1 866765766 ZHWPUPMQFQAFMV-NSHDSACASA-N 308.378 1.851 10 10 DDCE Cc1nc(N)nc(NCc2ccc(N3CCSCC3)cc2)n1 865450817 GRTRKCUUMBCIMR-UHFFFAOYSA-N 316.434 1.928 10 10 DDCE COC(=O)N[C@@H](C)C(=O)NCc1ccc2cccnc2c1O 862027436 RZVHODCJMOQFDS-VIFPVBQESA-N 303.318 1.301 10 10 DDCE Cc1ccc(C(=O)NC[C@H](CO)c2ccccc2)c(O)c1O 780969768 NZONQEFTEYCXSJ-CYBMUJFWSA-N 301.342 1.912 10 10 DDCE NC(=O)C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 1137212113 JECZBGHTJUNCLJ-SNVBAGLBSA-N 317.349 1.577 10 10 DDCE CN(CCc1ccccc1)CC(=O)NCc1c(O)cccc1O 1156885774 NXLPXRFVAJECRH-UHFFFAOYSA-N 314.385 1.889 10 10 DDCE CCN(CCN=[N+]=[N-])C(=O)[C@@H](O)CNC(=O)OC(C)(C)C 1887717364 JLPPKUOEONKVTR-VIFPVBQESA-N 301.347 1.031 10 10 DDCE C[C@@H](N)c1ccc(N2CC(NS(C)(=O)=O)C2)cc1Cl 703151340 NHWQCBOIXUTDMD-MRVPVSSYSA-N 303.815 1.098 10 10 DDCE CS(=O)(=O)[C@@H]1CSCCN1c1ccc(CN)cc1Cl 90921432 CYANUQRKVVTJKI-GFCCVEGCSA-N 320.867 1.723 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CC(F)(F)C3)C2)cc1 1263731701 MLALQYUCIYJZBA-NSHDSACASA-N 311.332 1.934 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2ccc(S(C)(=O)=O)nc2)c1 1470254916 OLAHIGYGXMTXHF-UHFFFAOYSA-N 320.370 1.429 10 10 DDCE CCOCc1nc([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)no1 1625487314 FQELULUWVDSTKL-VIFPVBQESA-N 321.333 1.437 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2c[nH]nc2C)cc1C 1498082720 YQDXZWVEIVYEGS-LBPRGKRZSA-N 316.405 1.943 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1C[C@H](CO)Cc2ccccc21 1636203599 UHTQTGWCYZJIPD-CYBMUJFWSA-N 313.353 1.838 10 10 DDCE CCN1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1=O 1569422479 KIDXGCKVOVRRGY-LLVKDONJSA-N 303.322 1.200 10 10 DDCE CO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCC[C@H](CN=[N+]=[N-])C1 1912149376 FSSPXULJRDJIAA-GRYCIOLGSA-N 302.400 1.211 10 10 DDCE Cn1ncc(Br)c1S(=O)(=O)NCCCN=[N+]=[N-] 1912148030 OFSVQHATNHPVIZ-UHFFFAOYSA-N 323.176 1.161 10 10 DDCE Cn1nnc(Br)c1CN1CCC(N=[N+]=[N-])CC1 1912168976 GYINHSDWXFPTPR-UHFFFAOYSA-N 300.164 1.852 10 10 DDCE COc1cc(S(=O)(=O)N2CCC[C@H](CN=[N+]=[N-])C2)sn1 1912148103 PCSFGFBWBKQKKK-MRVPVSSYSA-N 317.396 1.863 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2cncnc2)cc1C 1731588141 OBWNRCCANHJLKK-CYBMUJFWSA-N 314.389 1.702 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@@H]1CC(c2ccccn2)=NO1 1647291355 YJNDAFAZMDKSSF-HNNXBMFYSA-N 313.313 1.302 10 10 DDCE Cc1ccc(C(=O)Nc2[nH]nc3nnc(C)c(C)c23)c(O)c1O 1640407063 ICTZLXNKWLVRIA-UHFFFAOYSA-N 313.317 1.942 10 10 DDCE Cc1cn2cc(CC(=O)NCc3c(O)cccc3O)nc2s1 1597573788 GNLGIDZGEKWHSD-UHFFFAOYSA-N 317.370 1.974 10 10 DDCE C[C@H](NC(=O)N[C@@H](CO)[C@@H]1CCOC1)c1ccc(N(C)C)cc1 1681551799 IWFMIQIHEZAJDS-BJJXKVORSA-N 321.421 1.510 10 10 DDCE CCNCc1ccc(N2CCN3C(=O)NC[C@H]3C2)c(Cl)c1 164142399 UXCDHDBBFQPHIT-LBPRGKRZSA-N 308.813 1.663 10 10 DDCE CC1(C)CC(NC(=O)c2cc(O)c(O)c(O)c2)CC(C)(C)N1 1865875785 HJMGORHOQSRNLM-UHFFFAOYSA-N 308.378 1.842 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN1CCN[C@@H]2COC[C@@H]21 2132566223 GDSFXNBLTUWQOJ-NEPJUHHUSA-N 303.189 1.872 10 10 DDCE CN(C)c1ccc(CNCCC(=O)NCCCC(=O)O)cc1 1857858838 JIWQOSHOJCFXMA-UHFFFAOYSA-N 307.394 1.213 10 10 DDCE CC[C@@H](CS(C)(=O)=O)NCc1cc(Cl)cc(OC)c1O 1967831367 XXAMJFBTFCMFHK-NSHDSACASA-N 321.826 1.967 10 10 DDCE CC(C)(C)OC(=O)N[C@H](C(=O)O)c1cccc([N+](=O)[O-])c1O 1951384978 KWHZLIGVBZJRNG-VIFPVBQESA-N 312.278 1.951 10 10 DDCE CCCS(=O)(=O)C[C@H](C)NCc1ccc(F)c(F)c1O 2170600260 KUOUMMTZEZRREV-VIFPVBQESA-N 307.362 1.973 10 10 DDCE O=S1(=O)C[C@H]2C[C@@H](NCc3cc(Cl)ccc3O)C[C@H]2C1 2161132350 JLKNJJIBCULLEY-PTEHBNRSSA-N 315.822 1.958 10 10 DDCE CN(C)C[C@@H](O)CN(C)c1ccc(CN)cc1Br 690201303 GLDBTORSBJOJLN-LLVKDONJSA-N 316.243 1.267 10 10 DDCE Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC(=O)NC1=O 2062767986 GZWBOCJYETUEJD-JTQLQIEISA-N 317.370 1.301 10 10 DDCE C[C@@H](CS(=O)(=O)C(C)(C)C)NCc1ccc(O)cc1O 2170587715 FADOZTZXDZQJSM-JTQLQIEISA-N 301.408 1.789 10 10 DDCE O=C(Nc1n[nH]cc1Br)c1cc(O)c(O)c(O)c1 1148580552 HERSDVZUZRFUCL-UHFFFAOYSA-N 314.095 1.541 10 10 DDCE CN1CCCC[C@@H](N(C)C(=O)Cc2ccc(O)c(O)c2)C1=O 1302164034 FQKFWTJLNSUGRK-GFCCVEGCSA-N 306.362 1.110 10 10 DDCE CN(C)c1ccc([C@@H](O)c2nc(Br)nn2C)cc1 2052948740 ILZULXNCWVVPBY-SNVBAGLBSA-N 311.183 1.725 10 10 DDCE CCC1(CC)NC(=O)CN(Cc2cnc(SC)s2)C1=O 2284665308 LCTDMIUAOPBRLD-UHFFFAOYSA-N 313.448 1.882 10 10 DDCE C[C@H](CNC(=O)C=Cc1ccc(O)c(O)c1)CN1CCOCC1 2307987868 QCOHHKYBKIAREP-CYBMUJFWSA-N 320.389 1.196 10 10 DDCE Cc1ccc(Cn2cc(C3CNC3)nn2)c(O)c1Br 2352694178 TZELJFQAVQNFDK-UHFFFAOYSA-N 323.194 1.790 10 10 DDCE C[C@H](N)c1ccc(N2CCNC(=O)[C@@H]2C)c(Br)c1 104139315 YDHHTBHSTFRLRF-IUCAKERBSA-N 312.211 1.794 10 10 DDCE CCC(=O)N1CCN(c2ccc3c(c2)CCC(=O)N3C)CC1 62093207 ITWQHXCHSQKYCS-UHFFFAOYSA-N 301.390 1.654 10 10 DDCE C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 189994349 DMEFGQHRFBIYLF-CJNGLKHVSA-N 324.446 1.884 10 10 DDCE COCCCCS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 136100805 NTUXPIBSTWEMAO-UHFFFAOYSA-N 314.451 1.941 10 10 DDCE CC(C)N(C)S(=O)(=O)N1CCc2cc(O)c(O)cc2C1 2366930579 QWNZEJOQRLDDPA-UHFFFAOYSA-N 300.380 1.041 10 10 DDCE CC1=NN(C(N)=S)C(=O)[C@H]1N=Nc1cccc(C(=O)O)c1 253966664 GVTUQMUKTOYUOX-VIFPVBQESA-N 305.319 1.299 10 10 DDCE COc1ccc(N2CCN(C(=O)C[C@@](C)(O)C3CC3)CC2)cc1 270035662 FKIBNWZULJYIDE-GOSISDBHSA-N 318.417 1.895 10 10 DDCE O=C1CC[C@@H](C(=O)NCc2cc(Br)ccc2O)N1 804734559 QWQJEEBMOIZMKY-VIFPVBQESA-N 313.151 1.050 10 10 DDCE CCN(CC)C(=O)c1ccc(C(=O)OCC(=O)C(C)=O)cc1 808514944 WSDJJBOINUIOOD-UHFFFAOYSA-N 305.330 1.484 10 10 DDCE COc1ccc(N2CC[C@@H](CNC[C@H](O)COC(C)C)C2)cc1 819381306 XVLWGMCYLRNOAS-RDJZCZTQSA-N 322.449 1.897 10 10 DDCE COc1ccc(CNC(=O)c2cc3c(cn2)OCCO3)c(O)c1 819520629 NJCMOGWHRDZLEV-UHFFFAOYSA-N 316.313 1.497 10 10 DDCE CCOc1cccc(CN2CCC[C@]2(COC)C(=O)OC)c1O 827487992 BLJUFBTVTDNHHH-KRWDZBQOSA-N 323.389 1.945 10 10 DDCE COCCN(C)CCCNC(=O)/C=C\c1ccc(O)c(O)c1 588406280 DGFWFBSGPYXNNT-ALCCZGGFSA-N 308.378 1.196 10 10 DDCE C[C@H]1C[C@@H](C)CN(C(=O)C(=O)NCCc2ccc(N)cc2)[C@@H]1C 842237581 VPJCIAAHUBHWJF-HZSPNIEDSA-N 317.433 1.821 10 10 DDCE C[C@@H](N)[C@@H](C)NC(=O)NCc1cc(Br)ccc1O 842007388 SUZIXJYFKDDMEZ-HTQZYQBOSA-N 316.199 1.690 10 10 DDCE CN(C)c1ccc(CNC(=O)N2C3CCC2(C(N)=O)CC3)cc1 913927189 WVGRUJMJUGNTCH-UHFFFAOYSA-N 316.405 1.445 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CCc3cnc[nH]3)C2)cc1 855228232 YAJNOGQDZYRRJB-CQSZACIVSA-N 314.389 1.746 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H](O)C3CCC3)C2)cc1 855223117 FBVCDINAKFOEJO-BBRMVZONSA-N 304.390 1.551 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCCN(C)C)C2)cc1 854299556 PGONYLBLRWOFDP-CYBMUJFWSA-N 306.410 1.135 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCN2C(=O)OCC[C@@H]2C1 779541043 WEJVIJQWOLMRNW-FXMSTWTQSA-N 318.329 1.164 10 10 DDCE CCNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 778220086 AHRILTQIJUOYKV-CMDGGOBGSA-N 317.389 1.036 10 10 DDCE O[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC(F)(F)C1 787438086 HKOAGSPTPHJAFF-HNNXBMFYSA-N 312.360 1.725 10 10 DDCE CN1CCN(c2ccc(CNCCOCCCN)cc2F)CC1 1348435546 GHUZKMAKEBEYQB-UHFFFAOYSA-N 324.444 1.033 10 10 DDCE O=C(O)C1=CC[C@H](NCc2ccc(N3CCOCC3)c(F)c2)C1 1350429151 SZSZIMIHIZLMHR-AWEZNQCLSA-N 320.364 1.925 10 10 DDCE CN(C)c1ccc([C@](C)(N)c2nc(Br)nn2C)cc1 2116533044 LRIVAHGTHRXAFR-ZDUSSCGKSA-N 324.226 1.866 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc2cccnn12 1465408988 LSTNOEXCBVVRPL-UHFFFAOYSA-N 323.356 1.835 10 10 DDCE C[C@H]1CN(c2cc(Cl)c(CN)cc2F)CCS1(=O)=O 2120878916 FKSNYRFJNHVAPW-QMMMGPOBSA-N 306.790 1.561 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc(-n2ccnc2)nn1 1472063424 JZVGGNBOJLWRSQ-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE CCN(CCO)c1ccc(CNC[C@H]2CCCO2)cc1OC 212677112 OKPNXTCATJOHLP-OAHLLOKOSA-N 308.422 1.782 10 10 DDCE NC(=O)c1ccc(CCC(=O)NCc2ccc(O)c(O)c2)cc1 1631433432 AZIISPGNGPSROD-UHFFFAOYSA-N 314.341 1.446 10 10 DDCE CCc1noc(CCCC(=O)NCc2ccc(O)cc2O)n1 1570462458 URNJGUHBOGWDFN-UHFFFAOYSA-N 305.334 1.682 10 10 DDCE CCCC(=O)N1CSC[C@@H]1C(=O)NCc1c(O)cccc1O 1652625493 FKRCMFWAMFCZJN-LLVKDONJSA-N 324.402 1.416 10 10 DDCE CN1C(C)(C)[C@H](NCc2ccc(Cl)cc2O)CS1(=O)=O 1967825499 RSYXVEWEICQMHE-GFCCVEGCSA-N 318.826 1.558 10 10 DDCE OC[C@H]1COC[C@H]1NCc1cc(Br)ccc1O 1942672359 CKPUJEQGQRMGQJ-GXSJLCMTSA-N 302.168 1.252 10 10 DDCE C[C@H](ONC(=O)OC(C)(C)C)[C@H](N)Cc1ccc(O)c(O)c1 1952842007 XMNWQYOUXMHHMM-GXSJLCMTSA-N 312.366 1.812 10 10 DDCE CON1CC[C@@H](NCc2cc(Br)ccc2O)C1 2005022313 NJFCIYXWQMFDPY-LLVKDONJSA-N 301.184 1.880 10 10 DDCE COC(=O)N1CCN(c2cc(Cl)c(CN)cc2F)CC1 2177382977 HPACYMAFMOKNTP-UHFFFAOYSA-N 301.749 1.826 10 10 DDCE CCCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(O)cc1O 2170591997 RVKLVNIBCUSCRM-WDEREUQCSA-N 301.408 1.962 10 10 DDCE COCCS(=O)(=O)CCN[C@@H](C)c1cc(F)ccc1O 2204667076 KNCFYWPNSLEERC-JTQLQIEISA-N 305.371 1.243 10 10 DDCE CS(=O)(=O)[C@H]1CCC[C@H]1NCc1cc(F)cc(F)c1O 2205994889 CVDSBOXRAPJKDB-NEPJUHHUSA-N 305.346 1.726 10 10 DDCE CSc1ncc(CNS(=O)(=O)[C@H]2C[C@H](C(=O)O)C2)s1 2269091565 YMRGSKRRMFWHDE-FKQCQYRASA-N 322.433 1.148 10 10 DDCE O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H](C(=O)O)[C@H]1CC=C[C@@H]21 2475249 CTXNQOWRJIPUOM-LTMDPNIMSA-N 304.258 1.831 10 10 DDCE CCn1c(S[C@@H](C)C(=O)Nc2ccc(N)cc2)n[nH]c1=O 59952813 XLWJDNXBKBTTGR-QMMMGPOBSA-N 307.379 1.293 10 10 DDCE CCCNC(=O)[C@@H](C)N1CCN(c2ccc(OC)cc2)CC1 52636395 HLXJCWNBVGMPKU-CQSZACIVSA-N 305.422 1.732 10 10 DDCE COC[C@@H](O)CN(C)c1ccc([C@@H](C)N)cc1Br 61697546 VIAUOTZLULHPCS-KOLCDFICSA-N 317.227 1.912 10 10 DDCE CCCS(=O)(=O)N(C)Nc1nc(C(C)C)c(C(=O)O)s1 2365282651 DYXCMBSUQGWEGH-UHFFFAOYSA-N 321.424 1.963 10 10 DDCE COc1cc(Cl)c(N2CCC[C@H]2[C@H](O)CO)c(OC)c1 2368279823 DEBGXMUIEKFSME-NWDGAFQWSA-N 301.770 1.679 10 10 DDCE N[C@H](CC(=O)O)c1ccc(I)cc1O 238625765 WUTGQISKRCXPMY-SSDOTTSWSA-N 307.087 1.471 10 10 DDCE COc1ccc(N2CCC(N[C@H]3CCCNC3=O)CC2)cc1 371983837 KFBTZZVMYQUMLB-INIZCTEOSA-N 303.406 1.532 10 10 DDCE CCOC(CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1)OCC 803090301 ZXEXIJBBZKSSBI-LLVKDONJSA-N 311.378 1.934 10 10 DDCE O=C1NCC2(CN(Cc3cccc(Br)c3O)C2)O1 817417052 UXPXZBANEHUBDU-UHFFFAOYSA-N 313.151 1.449 10 10 DDCE Cc1cc(N(C)C)ccc1CNC[C@@]1(OCCO)CCOC1 826940295 CDQWZKFRDLAURI-KRWDZBQOSA-N 308.422 1.319 10 10 DDCE CN(C(=O)/C=C\c1ccc(O)c(O)c1)C1(C(N)=O)CCCC1 588407593 HQTWSUCOAJCSLQ-ALCCZGGFSA-N 304.346 1.368 10 10 DDCE COc1cc(CC(=O)NCc2cccc(OC)c2O)ccn1 830540605 MFRNZWVIQGAQDG-UHFFFAOYSA-N 302.330 1.663 10 10 DDCE C[C@@H](NC(=O)N1CCC[C@](O)(CO)C1)c1ccc(N(C)C)cc1 838559695 OSIHNNRKBNPRKT-CXAGYDPISA-N 321.421 1.342 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCCN(C(N)=O)CC2)cc1 835028714 RQIVYLRAVYWROS-HYXAFXHYSA-N 302.422 1.852 10 10 DDCE CC[C@@H](N[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)NC 834914837 WWWNHZKAMJGNSY-IUODEOHRSA-N 323.412 1.838 10 10 DDCE O=C(Cn1cnc2ccccc2c1=O)NCc1ccccc1O 748353698 CROQKESEBPCIOV-UHFFFAOYSA-N 309.325 1.419 10 10 DDCE COc1cc(O)c(CN2CC[C@H](C)[C@@H](C(=O)O)C2)cc1OC 843041840 XMZPFWQZNVODIN-JQWIXIFHSA-N 309.362 1.952 10 10 DDCE O=C1CCC2=C(CCN(C(=O)/C=C\c3ccc(O)c(O)c3)C2)N1 855152690 ABQCABZRDWNTQP-KXFIGUGUSA-N 314.341 1.507 10 10 DDCE CCOc1cccnc1C(=O)OCC(=O)c1ccc(O)c(O)c1 784016377 GRJUMFICVQFABO-UHFFFAOYSA-N 317.297 1.931 10 10 DDCE Cn1c(CO)nc2cc(C(=O)NCc3ccccc3O)ccc21 1137471775 ZZTUARBKJGOCBP-UHFFFAOYSA-N 311.341 1.701 10 10 DDCE C[C@@]1(NCc2cc(Br)cc(F)c2O)CCNC1=O 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DDCE CCN1CC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 1557133584 QEMQMAQKZRCQMH-WMLDXEAASA-N 317.433 1.732 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H](O)C23CCC3)cc1 1557499667 DCXIZCVLPFCWFH-RYUDHWBXSA-N 302.334 1.882 10 10 DDCE CN(Cc1nnc2ccccn12)C(=O)Cc1ccc(O)c(O)c1 1627143436 PIVQLIUOSRXDSG-UHFFFAOYSA-N 312.329 1.342 10 10 DDCE O=C(NCc1ccc(O)cc1O)[C@@H]1COc2ccc(O)cc2O1 1626847585 CYRQWJIPWKKMOT-HNNXBMFYSA-N 317.297 1.260 10 10 DDCE CC(=O)N(CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1497471516 XXQFZFGVRTUIHS-UHFFFAOYSA-N 317.349 1.590 10 10 DDCE COc1cccc(/C=C2/SC(N3CCOCC3)=NC2=O)c1O 448997 LAIKYDPRNRWNIO-FMIVXFBMSA-N 320.370 1.703 10 10 DDCE Cc1nc(C2(NC(=O)Cc3ccc(O)c(O)c3)CCCC2)no1 1630821497 XYOUYHCLVCFBDQ-UHFFFAOYSA-N 317.345 1.917 10 10 DDCE C[C@H](N[C@H](C)c1ccccc1O)c1nc(N)nc(N(C)C)n1 1560074793 GIHQVTILGQGIGZ-ZJUUUORDSA-N 302.382 1.637 10 10 DDCE CS(=O)(=O)c1ccc(C(=O)NCc2cccc(O)c2O)cc1 1643809380 MAYJKLCJLLNXHV-UHFFFAOYSA-N 321.354 1.431 10 10 DDCE CCN(CC)CCSCC(=O)NCc1cc(O)ccc1O 1651222270 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Cc1cc(O)n2ncc(C(=O)N3C[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3)c2n1 2062262649 JAOLPOLLVBWHNH-AUZPSNTRSA-N 312.373 1.861 10 10 DDCE O=C(Nc1ccc(O)c(O)c1)c1cc(CN2CCCC2)on1 2064499291 BXCFZKVGMYHVPV-UHFFFAOYSA-N 303.318 1.934 10 10 DDCE CN(CC1[C@@H]2CS(=O)(=O)C[C@@H]12)c1ccc(CN)cc1Cl 2174648499 PJHJEHYOSTWWLI-RYUDHWBXSA-N 314.838 1.526 10 10 DDCE CC1(C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)OCCO1 1137290601 PGQDTQMEDSCZLU-UHFFFAOYSA-N 321.373 1.642 10 10 DDCE Nc1ccc(OCCN=c2cc(Br)nc[nH]2)cc1 2044044716 QACYAIKHHIJXQP-UHFFFAOYSA-N 309.167 1.734 10 10 DDCE CN1CCN(c2ccc(CN)c(Br)c2F)[C@H]2C[C@H]21 2049381694 WZLYGVLKFVRKSE-MNOVXSKESA-N 314.202 1.940 10 10 DDCE CN[C@H](C)c1cnc(Sc2nnnn2CC(F)F)s1 2225661183 QNRLKOOGWQXSTC-RXMQYKEDSA-N 306.367 1.826 10 10 DDCE CN(C)S(=O)(=O)CCCNCc1cccc(Cl)c1O 2341869296 SHBNAGJVZRYIPC-UHFFFAOYSA-N 306.815 1.417 10 10 DDCE COCC[C@](C)(O)CN[C@H](C)c1ccc(N2CCOCC2)cc1 178365397 CNQPUFAMFNDBAL-QAPCUYQASA-N 322.449 1.961 10 10 DDCE O=S(=O)(NCCCSc1nccs1)C1CCOCC1 117365159 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CN(C)c1ncc(CNC(=O)NCc2c(O)cccc2F)n1C 921364336 CXSLRQYTQBRMDU-UHFFFAOYSA-N 321.356 1.330 10 10 DDCE O=C(NCc1c(O)ccc2c1CCCC2)NCC12CC(CN1)C2 851676838 IPXNWRPZUIJVHK-UHFFFAOYSA-N 315.417 1.822 10 10 DDCE C[C@@]12COC[C@@H]1CN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)C2 853859760 XSJKDKJXYRUDHC-BJOHPYRUSA-N 319.317 1.398 10 10 DDCE COc1ccc(N2CC[C@H](N[C@H](C)C[C@@H]3CCC(=O)N3)C2)cc1 926679403 DQGSKCHRWTUQML-ILXRZTDVSA-N 317.433 1.921 10 10 DDCE Cc1cc(O)c(CNC[C@]2(CO)COCCN2C)c(Cl)c1 922535198 WYKCJHFXMBQWSU-HNNXBMFYSA-N 314.813 1.137 10 10 DDCE CCCN[C@H](C)C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 852843545 AOYIVMFLJZPTBD-KGLIPLIRSA-N 305.422 1.778 10 10 DDCE O=c1cc[nH]cc1S(=O)(=O)Nc1ccc(O)cc1Cl 693890273 NZLDBWHDGOUNKE-UHFFFAOYSA-N 300.723 1.535 10 10 DDCE C[C@@H]1CCCN(S(=O)(=O)NCc2ccc(O)cc2O)C1 867415387 DZERGOBKSCKGNG-SNVBAGLBSA-N 300.380 1.164 10 10 DDCE CC(C)N(Cc1cc(F)c(N(C)C)cc1F)C[C@H](O)CO 862396900 CQMYJFKFLCBCGF-LBPRGKRZSA-N 302.365 1.594 10 10 DDCE CC(C)(C)C(=O)NCCCC(=O)NCc1cc(O)ccc1O 1153879712 VVLDDRRCXYRWGK-UHFFFAOYSA-N 308.378 1.657 10 10 DDCE CC(C)[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)C1CC1 1328367388 FFIFIRKWGHVIPC-HNNXBMFYSA-N 303.406 1.478 10 10 DDCE Cn1cnc(CCNCc2ccc(Br)cc2O)n1 691466831 YFWKKEZSKXBKFM-UHFFFAOYSA-N 311.183 1.616 10 10 DDCE CC1(CS(C)(=O)=O)CN(c2ccc(CN)c(Cl)c2)C1 2116580134 BIYYLWSRGYRFNV-UHFFFAOYSA-N 302.827 1.670 10 10 DDCE CC[C@H](C)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OC 1627474264 KDRVBOVBVFAWNG-CMPLNLGQSA-N 309.362 1.734 10 10 DDCE CN1CCC[C@H]1c1cc(C(=O)NCc2cc(O)ccc2O)n[nH]1 1558175386 OSUHTYOSTMIYIN-AWEZNQCLSA-N 316.361 1.518 10 10 DDCE C[C@H](NC(=O)NCc1nnnn1CC1CC1)c1ccccc1O 1634582803 LWMMXDKMINFGMW-JTQLQIEISA-N 316.365 1.349 10 10 DDCE [N-]=[N+]=NCC1CCN(C(=O)C2CCS(=O)(=O)CC2)CC1 1912146033 OLVFZOGGUHHVIF-UHFFFAOYSA-N 300.384 1.360 10 10 DDCE O=C1CC2(CCCCCC2)N(C(=O)Cc2ccc(O)c(O)c2)N1 1570838630 RVPCVCZHOISCSC-UHFFFAOYSA-N 318.373 1.997 10 10 DDCE CC(=O)NC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C 1746782044 SJIMZSDGOCANHP-CYBMUJFWSA-N 319.365 1.740 10 10 DDCE CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1N=[N+]=[N-] 5743394 WCSBCLMCXJSBOJ-JJEKRJTGSA-N 307.306 1.512 10 10 DDCE CC(C)(C)OC(=O)N1CC(O)(CNCc2ccc(O)c(O)c2)C1 1918695321 WCNLJPNWBWPDDW-UHFFFAOYSA-N 324.377 1.169 10 10 DDCE [N-]=[N+]=NCCN[C@H](C(=O)O)c1nc(Br)cs1 1939395116 HVPTVHCEBFQFAX-YFKPBYRVSA-N 306.145 1.931 10 10 DDCE NC(=O)CCN(Cc1ccccc1)c1ccc2c(c1)NC(=O)[C@@H]2N 1946831895 FFYPZPBIMBSJNL-QGZVFWFLSA-N 324.384 1.521 10 10 DDCE Cc1ccc([C@@H](C)N(C)CCS(=O)(=O)N(C)C)c(O)c1 2151046404 DLTDRDYSOADJKE-GFCCVEGCSA-N 300.424 1.585 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](N)C[C@@H]1Cc1ccc(O)c(O)c1 1952465709 OZUJAQTXNAIEGD-NEPJUHHUSA-N 308.378 1.977 10 10 DDCE COC(=O)[C@@H]1C[C@]1(N)c1cc(Br)cc(F)c1O 1952829483 LUTUEUJZWNVVKJ-CPCISQLKSA-N 304.115 1.641 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(Cc3cc(N)ccc3O)C[C@@H]21 1978506169 MKHBDAFMUXPIKU-NHAGDIPZSA-N 319.405 1.929 10 10 DDCE NCc1ccc(N2C[C@@H]3CCCS(=O)(=O)[C@@H]3C2)c(Cl)c1 2145065424 VEAWYDNMJIRZLC-SMDDNHRTSA-N 314.838 1.812 10 10 DDCE CC(C)(C)OC(=O)NCc1cn(C2CN(CCN=[N+]=[N-])C2)nn1 1982245669 KPKYZIXFIDDVLZ-UHFFFAOYSA-N 322.373 1.470 10 10 DDCE C[C@H](N)CN(Cc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1 1988122273 DEIBJXHKCCIWLE-NSHDSACASA-N 316.357 1.793 10 10 DDCE Cn1nnc(Br)c1C(=O)N[C@H]1CCC[C@H]1N=[N+]=[N-] 2218743795 KIRQLIHFNOYMCY-NTSWFWBYSA-N 314.147 1.539 10 10 DDCE COCC(COC)ONCc1ccc(Br)cc1O 2256204443 PQYMZCDTXSFSIR-UHFFFAOYSA-N 320.183 1.837 10 10 DDCE CN1CC[C@@H](NCc2cc(Br)c(O)cc2O)C1 2248031840 HKOVBUZDAZCEAE-SECBINFHSA-N 301.184 1.654 10 10 DDCE CCOCCOC[C@@H](O)CNCc1cnc(SC)s1 2269093294 NJOFAGDBFBYBTR-JTQLQIEISA-N 306.453 1.369 10 10 DDCE CC[C@@H](C)N1C(=O)C(=CNNc2ccccc2)C(=O)NC1=S 2296940638 QPQYPPBJTAAHTE-SNVBAGLBSA-N 318.402 1.529 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@@H]2[C@@H]3[C@H]2CCC3(F)F)cc1 2355139846 LXLMZXVQQYLXSM-WOPDTQHZSA-N 302.346 1.732 10 10 DDCE COC(=O)[C@H]1CCCCN1C(=O)[C@H](C)Cc1ccc(O)c(O)c1 170046147 INSCJBMTOSSTIB-DGCLKSJQSA-N 321.373 1.831 10 10 DDCE CN1CCCc2cc(CNC(=O)N[C@@H]3CCC[C@@H]3O)ccc21 172572059 LPQCITPWUWIHRW-ZBFHGGJFSA-N 303.406 1.782 10 10 DDCE O=C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CCN1 171632958 WNHQKKLUCLTXQP-UHFFFAOYSA-N 316.405 1.318 10 10 DDCE Cc1ncsc1CN(C)C[C@@H](O)COc1ccc(N)cc1 111665608 FPVOSKCQKFPTOC-CYBMUJFWSA-N 307.419 1.905 10 10 DDCE CN1CCc2cc(CNC[C@H]3CN(C4CC4)CCO3)ccc21 122374580 HYBDQTXKEZLKFJ-KRWDZBQOSA-N 301.434 1.632 10 10 DDCE C[C@H]1Oc2ccc(N)nc2N(CCOc2ccc(N)cc2)C1=O 75259197 GSAAGCXOAPRAES-SNVBAGLBSA-N 314.345 1.439 10 10 DDCE Cc1cc(/C=C\C(=O)O)ccc1N(C)[C@@H]1CCS(=O)(=O)C1 220111836 FBALVKUIMKPYIG-RYWCDNDXSA-N 309.387 1.716 10 10 DDCE CCNCc1ccc(N2C[C@H](O)[C@H](O)C2)cc1Br 233548622 KLVQMGJYBDDJHR-BETUJISGSA-N 315.211 1.100 10 10 DDCE CN(C)c1ccc(CNC(=O)/C=C\c2ccnn2C)cc1F 255506681 XULSAEKSMUOOBA-ALCCZGGFSA-N 302.353 1.955 10 10 DDCE Cc1ccc(C(=O)NC2(CO)Cc3ccccc3C2)c(O)c1O 364558642 DPTKVCKSJZRSHK-UHFFFAOYSA-N 313.353 1.666 10 10 DDCE C[C@H](c1ccccc1O)N(C)S(=O)(=O)CC(C)(C)CN 722241679 OOTSYYNISFKOCH-LLVKDONJSA-N 300.424 1.700 10 10 DDCE Cc1cc(Br)c(O)c(CN2CCOC[C@@H](O)C2)c1 824625262 HWSOTHUMYKNQDG-NSHDSACASA-N 316.195 1.656 10 10 DDCE COC(=O)[C@@H]1OCC[C@@H]1NCc1cc(Cl)cc(F)c1O 826967174 GOJCMDRUUDLLIQ-CMPLNLGQSA-N 303.717 1.605 10 10 DDCE C[C@H](NCC[C@H]1CC(=O)N(C)C1)c1cc([N+](=O)[O-])ccc1O 903215358 GZTZWJWSBQVIFO-QWRGUYRKSA-N 307.350 1.819 10 10 DDCE COc1ccc(O)c(CNC(=O)c2nnn(C(C)(C)C)n2)c1 830544035 KAORQPCGXLJVQN-UHFFFAOYSA-N 305.338 1.072 10 10 DDCE Oc1cc2c(cc1CN1CCOC[C@H]1C(F)(F)F)OCO2 739870438 TVUBFMHBYRHVFQ-LBPRGKRZSA-N 305.252 1.884 10 10 DDCE Nc1ccc(CC(=O)N2CCCC[C@@H]2[C@@H]2C[C@H](N)CCO2)cc1 846700670 WDHVAIFDSRHQJI-ZACQAIPSSA-N 317.433 1.699 10 10 DDCE COC(=O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C 854175990 DQOKNMMBAOGBCE-UHFFFAOYSA-N 300.358 1.926 10 10 DDCE COc1ccc(O)c(CNC(=O)NC[C@@H](OC)[C@@H]2CCOC2)c1 853736493 CYXKNIMICNJJJR-IAQYHMDHSA-N 324.377 1.252 10 10 DDCE Cc1noc([C@@H]2OCC[C@@H]2NCc2cc3c(cc2O)OCO3)n1 858326788 DZHJLSGHKZJKTL-IINYFYTJSA-N 319.317 1.432 10 10 DDCE Cc1ccc(C(=O)N2CC[C@](CO)(C(F)(F)F)C2)c(O)c1O 924453927 BKXHGXIRXOHSIP-ZDUSSCGKSA-N 319.279 1.793 10 10 DDCE CN(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 859876793 FAUZJTFDZGGPSU-CVEARBPZSA-N 308.447 1.904 10 10 DDCE CN(C)c1ccc(CN(C(=O)[C@@H](O)c2cnc[nH]2)C2CC2)cc1 864785525 FLHDGSKASXKTLI-INIZCTEOSA-N 314.389 1.700 10 10 DDCE CCOC(=O)CCCS(=O)(=O)N1Cc2cccc(O)c2C1 867691081 QTXXQORMUJFVLS-UHFFFAOYSA-N 313.375 1.381 10 10 DDCE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NCc1ccc(N)cc1 1895717608 UFBHGVNBHMUSPZ-LSDHHAIUSA-N 321.421 1.993 10 10 DDCE COC[C@]1(C)CN(Cc2cc(F)cc(C(C)=O)c2O)CCO1 860200468 VQSJFHJNDCYSTR-INIZCTEOSA-N 311.353 1.971 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2cc(S(C)(=O)=O)oc2C)c1 862753059 AWYLHOQHDPKPGX-UHFFFAOYSA-N 323.370 1.936 10 10 DDCE C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)CCN1CCO 779213472 KBXDUNARNLHAHC-JTQLQIEISA-N 302.777 1.683 10 10 DDCE CC[C@@H](CNCc1ccc(N2CCOCC2)c(F)c1)C(=O)OC 895121111 UPQCXFDOASJPKL-AWEZNQCLSA-N 324.396 1.951 10 10 DDCE O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2)N1Cc2cccc(O)c2C1 898146506 AOIUMLZQAXZNPZ-GVUJHPQVSA-N 302.374 1.824 10 10 DDCE COc1cccc2c(C(=O)NCc3ccc(O)c(O)c3)cnn12 1137443567 UMHLMYYSYCEOOP-UHFFFAOYSA-N 313.313 1.684 10 10 DDCE CCOc1cccc(CC(=O)NCCc2ccc(O)c(O)c2)n1 797943325 PSSIDNBCBAQGJB-UHFFFAOYSA-N 316.357 1.793 10 10 DDCE C[C@H]1CC[C@H](C)N(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1329466976 BTJMUZNKJKUREG-RYUDHWBXSA-N 302.374 1.881 10 10 DDCE CC[C@]1(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCNC1 1327865862 URKNHPXAFCDAFH-KDOFPFPSSA-N 317.433 1.780 10 10 DDCE CNCc1cc(F)c(N2CCSC[C@H]2CCO)c(F)c1 689670711 BGYZGKIPTFVZLM-LLVKDONJSA-N 302.390 1.988 10 10 DDCE CC(C)(C)OC(=O)N1CCN[C@H](c2ccc(O)c(O)c2O)C1 1535969306 IVMVVBRBBGYFSV-JTQLQIEISA-N 310.350 1.685 10 10 DDCE C[C@H](CC(N)=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 1540709581 WOQIGQGJKDVIBH-GFCCVEGCSA-N 303.406 1.755 10 10 DDCE O=C(NCc1c(O)cccc1O)c1ccc(Cn2cccn2)o1 1558533399 FJBKTHHUHWMFQO-UHFFFAOYSA-N 313.313 1.866 10 10 DDCE CN(C)Cc1csc(NC(=O)Cc2ccc(O)c(O)c2)n1 1629403346 BPJJUALQINPUNG-UHFFFAOYSA-N 307.375 1.797 10 10 DDCE CN1CCCc2cc(CNC(=O)c3nsnc3O)ccc21 1631322676 NPURNQFCUUEPTB-UHFFFAOYSA-N 304.375 1.556 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)c1csc(CO)n1 1638573122 JPFYTRZOHITJET-UHFFFAOYSA-N 315.354 1.819 10 10 DDCE COC(=O)c1nc(C(=O)N(C)Cc2ccccc2O)cs1 1635658262 NDUQCKSJLXVJLD-UHFFFAOYSA-N 306.343 1.908 10 10 DDCE CCCS(=O)(=O)N[C@H](C)C(=O)N1CCC(N=[N+]=[N-])CC1 1912195971 HVXLSLXDTCXLNQ-SECBINFHSA-N 303.388 1.006 10 10 DDCE COc1c(C(=O)NCc2c(O)cccc2O)cccc1[N+](=O)[O-] 1645362859 CQFDJEWUQTWPAT-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE Cn1ncc(C(F)(F)F)c1CNC(=O)c1cccc(O)c1O 1647269225 IEQVJJWZBQXUHS-UHFFFAOYSA-N 315.251 1.780 10 10 DDCE Cc1cc(C=O)c(O)c(C(=O)NCc2cccc(O)c2O)c1 1644710634 HBFZPLUTMHKFHV-UHFFFAOYSA-N 301.298 1.854 10 10 DDCE CCC(=O)NC[C@H](CC)NC(=O)c1cc(OC)nc(OC)c1 1746099854 SPTMHZNCECUQSR-NSHDSACASA-N 309.366 1.133 10 10 DDCE COc1ncc(/C=C\C(=O)N2CCc3nc(F)ccc32)cn1 1586267574 VIPFOSDBTJEFFH-DJWKRKHSSA-N 300.293 1.622 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)Cc2ncc[nH]2)cc1C 1699426462 PEXGMWIQZFDYCA-ZDUSSCGKSA-N 316.405 1.564 10 10 DDCE C[C@H](N)c1ccc(N2CCS(=O)(=O)C[C@@H]2C)c(Cl)c1 228764356 XHOYXGUZCYFIJH-UWVGGRQHSA-N 302.827 1.983 10 10 DDCE CC1(C)C[C@@H](NCc2cc(F)ccc2O)CCS1(=O)=O 2144170741 LZYIQMCTILHSOQ-LBPRGKRZSA-N 301.383 1.977 10 10 DDCE Cc1nnsc1[C@H](C)NS(=O)(=O)Cc1ccc(N)cc1 2145362618 TVMMWEILZWMINM-VIFPVBQESA-N 312.420 1.609 10 10 DDCE O=S(=O)(Nc1ccc(O)c(F)c1)c1ccc(CCO)s1 2157759317 GJUGBYPJNRTKQC-UHFFFAOYSA-N 317.363 1.928 10 10 DDCE Nc1ccc(NC(=O)CCCN2CCC3(CC2)OCCO3)cc1 322968626 XSBLWFAJEZWZGM-UHFFFAOYSA-N 319.405 1.826 10 10 DDCE C[C@H](N)c1ccc(N2C[C@H](O)C[C@@H](O)C2)cc1Br 2043133712 WUPXFYQXGNHGDP-JMJZKYOTSA-N 315.211 1.401 10 10 DDCE CSCC1(NC(=O)OC(C)(C)C)CC(O)(C(=O)C(C)=O)C1 2210030727 ZQAVGPPQCBDYGD-UHFFFAOYSA-N 317.407 1.296 10 10 DDCE CNCc1ccc(N(C)CCn2cncn2)cc1Br 2113770273 VVABNMAELKDTLO-UHFFFAOYSA-N 324.226 1.896 10 10 DDCE C[C@@H](c1ccc(Cl)cc1O)N1CC[C@@H](NS(C)(=O)=O)C1 2203360361 HOHXXGROAOSZES-GXSJLCMTSA-N 318.826 1.730 10 10 DDCE Cc1cc([C@@H](C)N)ccc1N1CC(S(=O)(=O)C(F)F)C1 2240743114 JTRAFYALAILFCB-SECBINFHSA-N 304.362 1.841 10 10 DDCE CSc1ncc(CNCc2ccc(S(N)(=O)=O)o2)s1 2269269345 BZCJXRPRAXSLGY-UHFFFAOYSA-N 319.433 1.395 10 10 DDCE CS(=O)(=O)[C@H]1C[C@H](C(=O)N2CCC[C@@H](CN=[N+]=[N-])C2)C1 2285309665 YSULCWQTSQLXBS-DCAQKATOSA-N 300.384 1.359 10 10 DDCE CCCCN1C(=O)NC(=O)C(=Cc2ccc(O)c(O)c2)C1=O 2297327023 BWJXJPNSSHHWBV-UHFFFAOYSA-N 304.302 1.360 10 10 DDCE C[C@H]1CN(C(=O)/C=C\c2cnccn2)c2ccccc2C(=O)N1 492490808 ITOJHGKDXCMFOX-DGMVEKRQSA-N 308.341 1.655 10 10 DDCE CCNC(=O)C1=C2CCCN2c2ccc(F)cc2S1(=O)=O 65239708 OZOPNJXYBVMTAE-UHFFFAOYSA-N 310.350 1.561 10 10 DDCE Nc1ccc(N[C@@H]2CCN(S(=O)(=O)C(F)(F)F)C2)cc1 2360224656 HUZFAXAIMXOQSR-SNVBAGLBSA-N 309.313 1.605 10 10 DDCE COc1ccccc1/C=C1/SC(=S)N(NC(C)=O)C1=O 83319183 KUQKCFMOHXDZFR-YRNVUSSQSA-N 308.384 1.948 10 10 DDCE C[C@@H](O)CN(CCO)c1ccc(CN)c(Br)c1 383290038 MVRCFGIMFXELMX-SECBINFHSA-N 303.200 1.087 10 10 DDCE O=C1CN(Cc2ccccc2O)C(=O)N1CC[C@@H]1CCCOC1 530193214 BPOBTGUTGBYZHG-ZDUSSCGKSA-N 318.373 1.973 10 10 DDCE C[C@@H](N[C@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1O 368211626 HUUOYIHZOYNJQW-ABAIWWIYSA-N 322.380 1.962 10 10 DDCE COc1ccc(N2CCN(CCNC(=O)C=C(C)C)CC2)cc1 299491626 HCVGDITVGBAASX-UHFFFAOYSA-N 317.433 1.900 10 10 DDCE COC(=O)[C@H](CF)NCc1ccc(N2CCN(C)CC2)cc1 809776595 KGCHRSNKSGJATJ-HNNXBMFYSA-N 309.385 1.039 10 10 DDCE CN1CCN(CCCNCc2cc(Cl)c(F)cc2O)CC1 293554281 HIDZTTPPCTUJMF-UHFFFAOYSA-N 315.820 1.912 10 10 DDCE COc1cccc(CNS(=O)(=O)C[C@@H](OC)C2CC2)c1O 827194909 SCQJKNCRHXWUJY-CYBMUJFWSA-N 315.391 1.245 10 10 DDCE CO[C@@]1(CN[C@@H](C)c2c(O)cccc2F)CCS(=O)(=O)C1 903363623 PRVVCGKVEIBAJD-IINYFYTJSA-N 317.382 1.386 10 10 DDCE CCC(=O)N[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 914603184 FMMVZJILLKEMFV-CYBMUJFWSA-N 319.405 1.259 10 10 DDCE C[C@H](O)[C@H]1CN(Cc2cc(Br)ccc2O)CCO1 840980432 ZPVQHJWYZRNMLJ-TVQRCGJNSA-N 316.195 1.736 10 10 DDCE CC1(OCC(=O)NCc2c(O)ccc3c2CCCC3)CNC1 843489668 JZLQENRLYGKTNT-UHFFFAOYSA-N 304.390 1.266 10 10 DDCE CC(C)(CNCc1cc([N+](=O)[O-])ccc1O)[C@]1(O)CCOC1 842759011 QHKDLXQQOATODV-HNNXBMFYSA-N 310.350 1.568 10 10 DDCE COc1ccc(N2CCCN(C(=O)C(C)(C)C(=O)O)CC2)cc1 844251657 XLYVBNNDFDKWRG-UHFFFAOYSA-N 320.389 1.845 10 10 DDCE CC(=O)C(=O)COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F 924149903 NDIVRYMXTHBVQZ-QMMMGPOBSA-N 323.292 1.236 10 10 DDCE Nc1ccc(NC(=O)C(=O)N2CC[C@H]3CSC[C@H]3C2)cc1 868309314 JIMIOPFXXFXZQK-WDEREUQCSA-N 305.403 1.419 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](c2nn[nH]n2)C1 779533227 COZNKGCNUYWSDX-MALLOTDXSA-N 315.333 1.030 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@H]3CO[C@@H](C)C3)CC2)cc1 784014095 DNOSYMVHZLROCR-UONOGXRCSA-N 304.390 1.769 10 10 DDCE COC(=O)[C@@H](NCc1ccc(N(C)C)cc1)c1ccn(C)n1 787438215 JLVLOCKJAUUMGF-HNNXBMFYSA-N 302.378 1.490 10 10 DDCE Oc1c(F)cc(Br)cc1CN1C[C@@H]2C[C@@]2(O)C1 895644860 GUOUWASGTOPZFF-QPUJVOFHSA-N 302.143 1.860 10 10 DDCE CCOc1ccc(CN[C@@H](C)C2(S(C)(=O)=O)CC2)c(O)c1 796492542 UNCZFXNRIJFCRS-NSHDSACASA-N 313.419 1.846 10 10 DDCE CCOc1ccc(O)c(CN[C@H](C)C2(S(C)(=O)=O)CC2)c1 796493447 XNKQYIHNTKXXIS-LLVKDONJSA-N 313.419 1.846 10 10 DDCE O=C1CC[C@H](C(=O)NCc2c(O)cccc2O)n2cccc21 1156885290 CCFSVOAHTFNYCY-GFCCVEGCSA-N 300.314 1.733 10 10 DDCE Cn1nc(C(=O)NCc2ccc(O)cc2O)cc1OC(F)F 1162278750 LERFVUHMYUWHRK-UHFFFAOYSA-N 313.260 1.363 10 10 DDCE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)Cc2ccc(O)c(O)c2)C1 1963888250 MNENZEGALCGSTL-AAEUAGOBSA-N 321.373 1.640 10 10 DDCE CCNCc1ccc(N(C)[C@H](C)C(N)=O)c(Br)c1 711139163 IIYDDWYGGJRXNC-SECBINFHSA-N 314.227 1.869 10 10 DDCE NC(=O)CCCNCc1cc(Br)cc(F)c1O 715776683 CEXWUKCRVDEOAI-UHFFFAOYSA-N 305.147 1.649 10 10 DDCE Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC[C@H](O)CS(C)(=O)=O 1332913772 XLFPSWPDJIDVQB-GRYCIOLGSA-N 313.419 1.244 10 10 DDCE C[C@H]1CC[C@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CN1 1348437322 VVJVAPOINPTZEV-HOCLYGCPSA-N 320.456 1.808 10 10 DDCE CC(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1O 1299573277 JEUHVYKTGBAWGZ-UHFFFAOYSA-N 301.298 1.936 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC12OCCO2 1556157698 HYCNKPJHZUYFHM-AAEUAGOBSA-N 321.373 1.688 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)CCNC(=O)OC 1627026383 GFMWWBFRRGHXFI-UHFFFAOYSA-N 301.339 1.240 10 10 DDCE Cc1nn(C)c2ncc(C(=O)NCc3cccc(O)c3O)cc12 1651173186 SQQCABWFTJJZDH-UHFFFAOYSA-N 312.329 1.618 10 10 DDCE O=C(NCc1c(O)cccc1O)[C@@H]1COCCN1C1CCCC1 1597573790 GOGMOACWVJCDIK-AWEZNQCLSA-N 320.389 1.357 10 10 DDCE COc1ccc(N2CCN(C(=O)Cc3cncnc3)CC2)cc1 1890531751 NVVOUPLCSRPTEE-UHFFFAOYSA-N 312.373 1.377 10 10 DDCE COCc1nnc(NC(=O)CNCc2cc(C)ccc2O)s1 1857854774 VZBVHMBCNNFANF-UHFFFAOYSA-N 322.390 1.427 10 10 DDCE NCc1cc(F)c(N(CCO)C2COC2)cc1Br 1915536369 QWDFFXSGXUWTCG-UHFFFAOYSA-N 319.174 1.244 10 10 DDCE OCCOC1CN(c2ccc(CO)c(Br)c2)C1 1946922660 NEZKUWQYZXFHNZ-UHFFFAOYSA-N 302.168 1.139 10 10 DDCE CC(C)(C)OC(=O)NC1CN(C(=O)COc2ccc(N)cc2)C1 1977883460 DFXUZFOGUNNUNV-UHFFFAOYSA-N 321.377 1.383 10 10 DDCE CC1([C@H]2CCCN(C(=O)COc3ccc(N)cc3)C2)OCCO1 2145843723 NIDKHQDXSIHDBZ-ZDUSSCGKSA-N 320.389 1.649 10 10 DDCE Cn1ncc(Br)c1[C@@H](O)[C@@H](N)c1ccccc1O 2031163793 YWDXBVWCSWEXME-JQWIXIFHSA-N 312.167 1.622 10 10 DDCE Oc1cc(Br)ccc1CNC[C@H]1C[C@@H](O)CCO1 2036683853 UOUNDKLAONYEAF-NWDGAFQWSA-N 316.195 1.784 10 10 DDCE CNCc1ccc(OC)c(C[S@](=O)CC[S@@](C)=O)c1 319841093 DTUFOWSCVPRALC-RTBURBONSA-N 303.449 1.042 10 10 DDCE COc1cccc(CNC(=O)c2cc(=O)c(OC)cn2C)c1O 2064261619 CUFCOOKELJERDN-UHFFFAOYSA-N 318.329 1.038 10 10 DDCE C[C@H](NS(=O)(=O)c1ccsc1CO)c1ccccc1O 2192626819 KKUHIHQNYIKZLS-VIFPVBQESA-N 313.400 1.986 10 10 DDCE CN(Cc1c(O)cccc1Br)C[C@H]1COCCN1 2042376732 YWUZOMOMMKAPDQ-JTQLQIEISA-N 315.211 1.575 10 10 DDCE Oc1ccc(Br)cc1CN1CCOCC12CNC2 2048711089 QRMXIEHCYTXLSE-UHFFFAOYSA-N 313.195 1.329 10 10 DDCE NCc1ccc(N2CC(CNC(N)=O)C2)c(Br)c1 2067116567 CPPMEFSAYFXASL-UHFFFAOYSA-N 313.199 1.012 10 10 DDCE Cn1[nH]c(=NC(=O)CCc2ccc(N)cc2)cc1Br 2099582336 GPFCMKNPJYQPCW-UHFFFAOYSA-N 323.194 1.758 10 10 DDCE CN(C)C(=O)[C@H]1C=CCN1c1ccc(CN)cc1Br 2265641780 VUPFAPZVWHMVHM-CYBMUJFWSA-N 324.222 1.741 10 10 DDCE COCCNCc1cc(F)c(N(CCO)C2CC2)c(F)c1 62737621 ZJFULXGRNGXNQL-UHFFFAOYSA-N 300.349 1.662 10 10 DDCE O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2)cn1 70330029 JIUVCWWPEWKKFS-UHFFFAOYSA-N 313.266 1.635 10 10 DDCE C[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)Nc1ccc(N)cc1 41027126 XWVCIIMNECHDJA-SSDOTTSWSA-N 305.363 1.054 10 10 DDCE O=C(/C=C/c1ccc(F)cc1)NCCN1C(=O)CSC1=S 49756433 IARDUPSWFKZRQR-ZZXKWVIFSA-N 324.402 1.815 10 10 DDCE NCc1ccc(N2CC[C@@H](C(N)=O)C2)c(F)c1Br 236226850 SHWGJZFATZQBKU-MRVPVSSYSA-N 316.174 1.359 10 10 DDCE Cc1cccnc1CNC(=S)Nc1ccccc1C(N)=O 240772248 AWBNKDNXHYKKSW-UHFFFAOYSA-N 300.387 1.976 10 10 DDCE CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(C)c(O)c2O)C1 280616670 FCIAWNBMCLFBQQ-MNOVXSKESA-N 307.346 1.868 10 10 DDCE CC(=O)C(=O)COC(=O)c1nn(-c2cc(C)ccc2F)cc1O 808547823 ULJZSNAMFFILGE-UHFFFAOYSA-N 320.276 1.340 10 10 DDCE COc1ccc(N(C)C[C@@H]2CCN(S(C)(=O)=O)C2)cc1F 801520927 KSXJJRQPJAXWLB-NSHDSACASA-N 316.398 1.552 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)NCc1cnn(C)n1 806001101 NHYQUTJYQBGOBH-UHFFFAOYSA-N 302.382 1.189 10 10 DDCE [N-]=[N+]=NCCN[C@@H](C(N)=O)c1cscc1Br 380893325 PYDIGDSCBKKGMG-SSDOTTSWSA-N 304.173 1.937 10 10 DDCE CCOC(=O)Nc1scnc1C(=O)OCC(=O)C(C)=O 808697803 VXBPXCIPNFREOX-UHFFFAOYSA-N 300.292 1.026 10 10 DDCE CN(Cc1ccc(N)cc1)C(=O)c1nn(C)nc1Br 2226972999 UJPLIIZOQBOELU-UHFFFAOYSA-N 324.182 1.432 10 10 DDCE COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O 821065574 PAZIBYNZNUHTPG-ZMLRMANQSA-N 307.346 1.777 10 10 DDCE COCCN(C[C@@H]1COCCO1)c1ccc(OC)c(OC)c1 828344375 DIUXYGASFFJMCG-CQSZACIVSA-N 311.378 1.572 10 10 DDCE Cc1ccc(C(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)c(O)c1O 846625113 UKRKMGCOETWPBG-VXGBXAGGSA-N 307.346 1.425 10 10 DDCE COCC[C@H]1CCCCN(C(=O)C(=O)Nc2ccc(N)cc2)C1 841090152 WNBYNBMDRAUXGW-CYBMUJFWSA-N 319.405 1.873 10 10 DDCE CCOc1ccc(CN2C[C@H](C)N(CCO)C[C@@H]2C)c(O)c1 841892179 UDFIHBBVUNNZEF-KBPBESRZSA-N 308.422 1.678 10 10 DDCE CN(C)C1CC(NCc2ccc(N3CCOCC3)c(F)c2)C1 848557064 HBZXIUZVBQVVEJ-UHFFFAOYSA-N 307.413 1.845 10 10 DDCE COc1ccc(N2CC[C@H](N[C@@H](C)C[C@H]3CCC(=O)N3)C2)cc1 926679406 DQGSKCHRWTUQML-ZNMIVQPWSA-N 317.433 1.921 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3CCCNC3)C2)cc1 851639366 DPHJEUAIAHQKTO-ZIAGYGMSSA-N 303.406 1.390 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CCOC[C@H]1CCO 758501822 HLOZCKBZSOZOKJ-MRXNPFEDSA-N 321.421 1.354 10 10 DDCE CC[C@H](C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)N(C)C 855234201 VDQBAUZJIDVLRA-XJKSGUPXSA-N 305.422 1.730 10 10 DDCE CS(=O)(=O)CC1(CCNC(=O)Nc2ccc(N)cc2)CC1 850751816 GVOQHQAWQRTABA-UHFFFAOYSA-N 311.407 1.605 10 10 DDCE O=C(C[C@H]1CCNC1)NCc1ccc(N2CCC(O)CC2)cc1 852868539 INXVPHDPEYTYFF-OAHLLOKOSA-N 317.433 1.264 10 10 DDCE CN1CCN(c2ccc(CN(C)CC3(CO)CC3)cc2)CC1 783734228 RFOZQMFUGCAZHL-UHFFFAOYSA-N 303.450 1.643 10 10 DDCE NC(=O)[C@@H]1CC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 895711636 SNIHBHUWUJQZNW-CABCVRRESA-N 315.417 1.805 10 10 DDCE COC(=O)[C@]1(O)CCN(C/C=C\c2ccc(N(C)C)cc2)C1 895701510 AEBCFAHTRDGSPL-CHYADLBTSA-N 304.390 1.376 10 10 DDCE COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)c(O)c1 794380358 YBAGFRUCUFPORN-AWEZNQCLSA-N 320.389 1.664 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(C)c2OC)c1 1325196116 GJJXATBSHRKJTL-SECBINFHSA-N 305.334 1.634 10 10 DDCE CCO[C@H]1C[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 1330298183 KDUIJPYIFNHQRW-CTYIDZIISA-N 319.405 1.053 10 10 DDCE COCC(=O)NC[C@@H](NCc1ccc(OC)c(C)c1)C(C)C 1268205739 OIZYFFUABBXTLK-OAHLLOKOSA-N 308.422 1.880 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1coc2c1C(=O)NCCC2 1471662199 SMNFNBVLQFGNLF-UHFFFAOYSA-N 316.313 1.297 10 10 DDCE NC(=O)c1ccc(OCC(=O)NCc2c(O)cccc2F)cc1 1471974952 MBHYRLGFVWEDHW-UHFFFAOYSA-N 318.304 1.325 10 10 DDCE CCc1nc(O)c(C(=O)NCc2ccc(O)cc2O)cc1C 1630306433 BVOCHPOVORCXAS-UHFFFAOYSA-N 302.330 1.999 10 10 DDCE C[C@@H](N[C@H](C)c1ccccc1O)c1nc(N)nc(N(C)C)n1 1560074792 GIHQVTILGQGIGZ-NXEZZACHSA-N 302.382 1.637 10 10 DDCE CCc1nccn1CCNC(=O)/C=C\c1ccc(O)c(O)c1 1634330841 JSUNXSWUMROBIK-XQRVVYSFSA-N 301.346 1.686 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cccc(-n2cnnn2)c1 1639441312 PMFOZXJTKCKPQE-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE Cc1noc([C@@H]2CCCN2C(=O)Cc2ccc(O)c(O)c2)n1 1568801123 MOFLCRYWFSHQIX-NSHDSACASA-N 303.318 1.695 10 10 DDCE CO[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCOC1 1584223232 HHHOPYRPDAFXCL-AAEUAGOBSA-N 320.349 1.630 10 10 DDCE O=Cc1ccc(OCCC(=O)NCc2c(O)cccc2O)cc1 1652626587 ZEASLPHTCIIGGC-UHFFFAOYSA-N 315.325 1.996 10 10 DDCE CNC(=O)N[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 1658176434 HUYGSGQKUNUBKZ-GFCCVEGCSA-N 309.341 1.237 10 10 DDCE CS(C)(=O)=NCCNCc1cccc(Br)c1O 1913507148 UWWTXCJSBQGGAH-UHFFFAOYSA-N 321.240 1.972 10 10 DDCE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(C)C(=O)C1 152872165 XSTGAHJRWGCRIO-UHFFFAOYSA-N 312.329 1.165 10 10 DDCE CS(=O)(=O)CC1(CCNCc2ccc(F)cc2O)CC1 1967790666 BBKXVRVESYBMQO-UHFFFAOYSA-N 301.383 1.836 10 10 DDCE CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)C(=O)C(C)=O 1919335365 QWDOEHQLNRSPOV-LRDDRELGSA-N 313.394 1.933 10 10 DDCE CC(C)(C)OC(=O)NOCCNCc1ccc(O)c(O)c1O 1928414325 XMZXOBPFGDRDPV-UHFFFAOYSA-N 314.338 1.349 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(N)cc2)C[C@H]1CO 1984269685 HLRPIDHELOUTML-WFASDCNBSA-N 321.421 1.981 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1Nc1c(N)cccc1C(N)=O 1986714242 YQJMORKGDGLAHU-VXGBXAGGSA-N 320.393 1.835 10 10 DDCE CC1([C@@H]2CCCCN2C(=O)COc2ccc(N)cc2)OCCO1 2145803104 FTLGORUEMPIBGB-HNNXBMFYSA-N 320.389 1.792 10 10 DDCE Oc1cccc(Br)c1CNC[C@H]1C[C@@H](O)CCO1 2036682098 OOEUHCBKZCSBQZ-VHSXEESVSA-N 316.195 1.784 10 10 DDCE CNCc1ccc(N(C)CCNC(C)=O)c(Br)c1 308203106 WRJDJZHTBHJSBF-UHFFFAOYSA-N 314.227 1.741 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](O)[C@H](CO)C2)c(Br)c1 316231667 BZCACIUMUGCOIL-GMOODISLSA-N 315.211 1.258 10 10 DDCE Oc1ccc(-n2nccc2I)cc1O 2069829235 LNLUUUACCOQLBJ-UHFFFAOYSA-N 302.071 1.888 10 10 DDCE NCc1cnn(Cc2cc(F)ccc2O)c1Br 2070337566 WFOCXGCZIZGBMW-UHFFFAOYSA-N 300.131 1.997 10 10 DDCE CCCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(O)cc1O 2170591996 RVKLVNIBCUSCRM-QWRGUYRKSA-N 301.408 1.962 10 10 DDCE C[C@@H](N)c1ccc(N2CC(NC(N)=O)C2)c(Br)c1 2044812960 QIXXULQQJXFPAK-SSDOTTSWSA-N 313.199 1.326 10 10 DDCE NCc1cc(F)c(N2CC([C@@H](F)CO)C2)cc1Br 2048037609 ZSYUAFKHWIZVMZ-NSHDSACASA-N 321.165 1.814 10 10 DDCE CN1C[C@@H](N(C)Cc2c(O)cccc2Br)CC1=O 2068196178 MPAVYMXCZYGEQN-VIFPVBQESA-N 313.195 1.817 10 10 DDCE CC1(C)OC[C@@H](NCc2c(O)cccc2Br)[C@H]1O 2078740821 ZCZORCGROGJLFV-ZYHUDNBSSA-N 316.195 1.783 10 10 DDCE CC1(C)C[C@@H](COc2nnc(=N)[nH]n2)N(C(=O)OC(C)(C)C)C1 2210647493 SHCNEGPXKFFRQP-VIFPVBQESA-N 324.385 1.094 10 10 DDCE CC[C@](C)(NC(=O)NCc1cnc(SC)s1)C(=O)O 2269095715 ZATQEKIHYUUVDN-NSHDSACASA-N 303.409 1.918 10 10 DDCE CSc1ncc(CNC(=O)N2CC=C[C@@H](C(=O)O)C2)s1 2284508260 QCYOLRJNMXNOAX-MRVPVSSYSA-N 313.404 1.647 10 10 DDCE Oc1cc(Br)ccc1CN[C@H]1CO[C@@H]2COC[C@@H]21 2308845433 BOTFXMNCOKXUFA-NTZNESFSSA-N 314.179 1.658 10 10 DDCE C[C@H](c1ccc(Cl)cc1O)N1C[C@H]2CS(=O)(=O)[C@@H]2C1 2336552079 CBKDDSRYLNBJRY-VYUIOLGVSA-N 301.795 1.835 10 10 DDCE Nc1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1 224959 OOYYVOZABUYGHR-UHFFFAOYSA-N 310.356 1.166 10 10 DDCE CC(=O)N(C(=O)C(=O)NC1CCCCCC1)c1ccc(N)cc1 170318917 XOPUZYHPSJTPKA-UHFFFAOYSA-N 317.389 1.987 10 10 DDCE Cc1cc(O)c(O)cc1CCNC(=O)c1cc(O)c(O)c(O)c1 170190692 SWUGXNIZVQKWHU-UHFFFAOYSA-N 319.313 1.496 10 10 DDCE Cc1nn(C)c(C)c1CNC(=O)[C@@H](C)Cc1ccc(O)c(O)c1 170038989 NSDATWZVRYCOMX-JTQLQIEISA-N 317.389 1.943 10 10 DDCE CC[C@H](CO)NC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 121719348 YBWBHJDGIFZFCV-LLVKDONJSA-N 323.348 1.963 10 10 DDCE CC(C)C(=O)N1CCC[C@H]1C(=O)N(C)Cc1ccccc1O 120233129 WFMIGQHLSRIJTH-AWEZNQCLSA-N 304.390 1.998 10 10 DDCE CCS(=O)(=O)N(C)Nc1nc(C(C)(C)C(=O)O)c(C)s1 2365283138 MFYZBZUKYLDAGN-UHFFFAOYSA-N 321.424 1.422 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCC(=O)NC1CCCCC1 180721631 CIOXWWQBBBYZOU-VQHVLOKHSA-N 318.373 1.676 10 10 DDCE Cc1ccc(S(N)(=O)=O)cc1NCc1cccc(O)c1O 41117538 NRUFLDDNENFSIY-UHFFFAOYSA-N 308.359 1.666 10 10 DDCE COC[C@]1(O)CCN(c2c(Cl)cc(OC)cc2OC)C1 2368269125 KZDSGXWYFGREHY-AWEZNQCLSA-N 301.770 1.945 10 10 DDCE Nc1ccc(CCN2CC[C@@H](S(=O)(=O)C(F)F)C2)cc1 2368585421 DUVQCKUQZJMIQY-GFCCVEGCSA-N 304.362 1.523 10 10 DDCE C[C@](N)(CCO)c1cccc(I)c1O 238502631 UAYJFSKVPSUEHH-JTQLQIEISA-N 307.131 1.553 10 10 DDCE CC1(C)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCCO1 363862713 UEJSHXGHWHZUNQ-UHFFFAOYSA-N 321.333 1.931 10 10 DDCE Cn1cc(N2CCC[C@H](NC(=O)Nc3ccc(N)cc3)C2)cn1 841300920 WXBSTNGFUORBLO-AWEZNQCLSA-N 314.393 1.793 10 10 DDCE COCCN1CC[C@H](NC(=O)NCc2c(O)cccc2F)C1 919634463 JDTDZUOKURZKSQ-NSHDSACASA-N 311.357 1.051 10 10 DDCE COc1ccc(N2CCCN(C(=O)C3(OC)CC3)CC2)cc1 843533673 NJGXVJVOQUIQMS-UHFFFAOYSA-N 304.390 1.913 10 10 DDCE Cn1cc(N2CCC[C@@H](NC(=O)Nc3ccc(N)cc3)C2)cn1 841300921 WXBSTNGFUORBLO-CQSZACIVSA-N 314.393 1.793 10 10 DDCE CCn1ccnc1CN1C(=O)CN(Cc2ccccc2O)C1=O 925312401 OLURNEJKRXFUOS-UHFFFAOYSA-N 314.345 1.573 10 10 DDCE CN(C)c1ccc(CNC(=O)C(C)(C)n2cc(N)cn2)cc1 851629505 NAGZKYBIXKBGNK-UHFFFAOYSA-N 301.394 1.583 10 10 DDCE NC(=O)[C@@H]1CCCC[C@H]1NCc1ccc(N2CCOCC2)cc1 757910670 PIQDBOUYISOMDS-IAGOWNOFSA-N 317.433 1.657 10 10 DDCE CNC(=O)c1cccc(OCC(=O)NCc2ccccc2O)c1 759607934 JSDYVNZMGAAAAD-UHFFFAOYSA-N 314.341 1.447 10 10 DDCE Oc1cccc(Br)c1CN1C[C@H]2COC[C@@H](C1)O2 862356091 UJFXIFIISAKPOA-AOOOYVTPSA-N 314.179 1.754 10 10 DDCE C[C@@H]1C(=O)N(C)CN1Cc1ccc(N2CCN(C)CC2)c(F)c1 1118268226 UCGCHKAJSRBCBX-CYBMUJFWSA-N 320.412 1.198 10 10 DDCE CC(C)CN(C)S(=O)(=O)Nc1ccc(O)cc1C(=O)O 776432942 HWTBJTHVFKVKGF-UHFFFAOYSA-N 302.352 1.335 10 10 DDCE CC(=O)C(=O)COC(=O)[C@H](O)c1cccc(Br)c1 885430515 KEFUTHPHOVGQHR-LLVKDONJSA-N 315.119 1.184 10 10 DDCE CCOC(=O)[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1CCCOC1 1138143193 CVUSMGBEYJYFDE-ZWNOBZJWSA-N 323.345 1.186 10 10 DDCE CCC(=O)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 898010203 AMRRGFBKJTXTMS-UHFFFAOYSA-N 320.370 1.964 10 10 DDCE O=C(NC[C@@]1(O)CCOC1)c1cc2cc(O)c(O)cc2s1 897211233 PMWPIPAUBUJWQF-AWEZNQCLSA-N 309.343 1.194 10 10 DDCE C[C@H]1CN(Cc2cc(F)cc(F)c2O)[C@H](C)CN1CCO 895026678 YSSZSRVYRZWESR-WDEREUQCSA-N 300.349 1.557 10 10 DDCE COc1cc(NS(=O)(=O)N2CCC[C@@H](C)C2)ccc1O 797820126 HQHCZWGZYRQWPX-SNVBAGLBSA-N 300.380 1.789 10 10 DDCE COc1nn(C)cc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 797649836 UVASMOFUUYXHIY-VIFPVBQESA-N 320.349 1.593 10 10 DDCE Cc1csc(NCCNC(=O)Cc2ccc(O)c(O)c2)n1 1161160082 GXZKNADSYUWSDA-UHFFFAOYSA-N 307.375 1.634 10 10 DDCE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)CCN=[N+]=[N-] 1962288246 UCYJPTYRUGOQRO-GFCCVEGCSA-N 313.402 1.991 10 10 DDCE CNC(=O)[C@@H]1CNCCN1Cc1cc(Cl)cc(Cl)c1O 89081141 MNGTUILMEGDCAZ-NSHDSACASA-N 318.204 1.219 10 10 DDCE CCOC(=O)[C@@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 1464596654 MKFYYILIULNREC-LBPRGKRZSA-N 307.346 1.585 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCCNC2=O)cc1 1625499147 MTDKRQDMZLGNGU-LLVKDONJSA-N 303.322 1.248 10 10 DDCE CCOc1cc(CNCCN2CCOCC2)ccc1N(C)C 211997426 MMEUWVKEZLTNNZ-UHFFFAOYSA-N 307.438 1.573 10 10 DDCE CC(C)NC(=O)N1CCC[C@H]1C(=O)NCc1ccc(O)cc1O 1638351748 FMIMPEVNWJDPMT-ZDUSSCGKSA-N 321.377 1.296 10 10 DDCE CCNC(=O)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C 1637467644 WLEMOFDQLPEOIM-LBPRGKRZSA-N 319.365 1.740 10 10 DDCE O=C(NCc1c(O)cccc1O)C(F)(F)c1nccs1 1597574657 PTUKROVAEGBTFU-UHFFFAOYSA-N 300.286 1.963 10 10 DDCE O=C1/C(=C\c2ccc([N+](=O)[O-])s2)SC(=S)N1CCO 1858588124 RBMBSSNYHCRBES-FNORWQNLSA-N 316.385 1.850 10 10 DDCE Nc1ccc(CN2CCC(NC(=O)C(F)(F)F)CC2)cc1 586049745 QXKWGFRZQCZXHJ-UHFFFAOYSA-N 301.312 1.912 10 10 DDCE COCCOCC(=O)N1CCOc2ccc(N(C)C)cc2C1 824445023 FWMTZHYJHWYKGA-UHFFFAOYSA-N 308.378 1.137 10 10 DDCE CC(=O)C(=O)[C@@]1(O)CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 1919267765 NCOICGDFSKFKKH-HWWQOWPSSA-N 311.378 1.685 10 10 DDCE CC(=O)C(=O)[C@]1(O)CN(Cc2ccccc2)[C@@]2(CCCOC2)C1 1939525860 FZGLDBBYAXJUHW-ZWKOTPCHSA-N 317.385 1.331 10 10 DDCE C[C@H](N)c1ccc(N2CC(O)(CO)C2)c(Br)c1 2004525343 FVQMVSWHDYMXNK-QMMMGPOBSA-N 301.184 1.012 10 10 DDCE CO[C@@H](CCO)CNCc1cc(Br)cc(F)c1O 1972503250 KQGLMBJNOFCONU-JTQLQIEISA-N 322.174 1.781 10 10 DDCE CO[C@H]1CN(Cc2cc(Br)ccc2O)C[C@H]1N 2009273506 SGNGLUILJAXPPB-PWSUYJOCSA-N 301.184 1.313 10 10 DDCE Cn1ncc([C@H](O)[C@H](N)c2ccccc2O)c1Br 2031155091 UMPCDYODQBRRBW-MNOVXSKESA-N 312.167 1.622 10 10 DDCE CNCc1ccc(N2C[C@H](F)[C@@H](CO)C2)c(Br)c1 2057011344 AYZFYBBPSUCMNF-PWSUYJOCSA-N 317.202 1.935 10 10 DDCE Cn1c(Br)nnc1CCNCc1ccc(N)cc1 2065510441 OARSYTDPVJIBPN-UHFFFAOYSA-N 310.199 1.492 10 10 DDCE Nc1ccc(CCNC(=O)c2n[nH]cc2Br)cc1 2070680925 IWEDPUSTOHNZHT-UHFFFAOYSA-N 309.167 1.727 10 10 DDCE CC[C@H]1[C@@H](COc2nnc(=N)[nH]n2)CCN1C(=O)OC(C)(C)C 2210644212 BVGUAJIDKGPOBM-ZJUUUORDSA-N 324.385 1.094 10 10 DDCE CSc1ncc(CNC(=O)NO[C@@H](C(=O)O)C2CC2)s1 2284545257 XOBASEIJESFODZ-MRVPVSSYSA-N 317.392 1.459 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CCC[C@@H](CN)O2)s1 2269101701 VOZOOYYXDGNHJI-WCBMZHEXSA-N 301.437 1.378 10 10 DDCE COc1cccc(N2C(=O)NC(=O)C(=Cc3ccoc3)C2=O)c1 2296400201 DCJHPHRUTZMMQU-UHFFFAOYSA-N 312.281 1.955 10 10 DDCE C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C=Cc1ccc(O)c(O)c1 2307987638 ADZYILPFXWIJNB-TZMCWYRMSA-N 304.390 1.910 10 10 DDCE CSc1ncc(CN[C@@](C)(C(=O)O)[C@@H]2CCCN2)s1 2349501818 PCWPTNBNPCWSOJ-JOYOIKCWSA-N 301.437 1.550 10 10 DDCE CCC1(O)CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 275464909 ZDAFGLDGVUSBJS-FNORWQNLSA-N 306.318 1.742 10 10 DDCE CO[C@H](C)[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 276139005 NYHPEDMHTLZHEG-UONOGXRCSA-N 321.421 1.746 10 10 DDCE CN(C[C@H]1CCCO1)C(=O)C(=O)NCc1ccc(N(C)C)cc1 283520508 OPMKNUTYKWXPCQ-OAHLLOKOSA-N 319.405 1.006 10 10 DDCE CCOc1cccc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)c1O 294673360 ASPAGJBCPNXWIM-ZBFHGGJFSA-N 306.406 1.696 10 10 DDCE CC(=O)N[C@@H](C)C(=O)NCc1cc(Br)ccc1O 804737626 MXCHRUNXOODWAM-ZETCQYMHSA-N 315.167 1.296 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C[C@@H](O)C(F)(F)F 823576531 RNVYQPZMHUWDLN-GFCCVEGCSA-N 321.295 1.681 10 10 DDCE Cn1c(-c2ccccc2)cnc1SC[C@]1(C)NC(=O)NC1=O 916203556 WOZUXVFYHFBNQF-HNNXBMFYSA-N 316.386 1.777 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](O)C1CCOCC1 740740359 QAEFPQZHWIPGMI-INIZCTEOSA-N 306.406 1.499 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC(C)=NO3)C2)cc1 855224429 FYOQAMODYSLVKN-SWLSCSKDSA-N 303.362 1.555 10 10 DDCE CN1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)NC1=O 854473966 GYKHFYVOHRPVSW-SECBINFHSA-N 318.160 1.339 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N3CCC(O)CC3)C2)cc1 854301553 BSBBSSUAXZTIQZ-CYBMUJFWSA-N 319.405 1.440 10 10 DDCE C[C@H](N[C@H]1CCNC1=O)c1ccc(N2CCOCC2)cc1Cl 850482180 QHQSSWHCIARPIH-NHYWBVRUSA-N 323.824 1.716 10 10 DDCE COC[C@H](CCNC(=O)NCc1ccc(N(C)C)cc1C)OC 852449328 SKYUDSJFFNNFBM-INIZCTEOSA-N 323.437 1.912 10 10 DDCE O=C(CN1CCCCC(=O)C1=O)NCc1cc(Cl)ccc1O 869147874 ZRSAVJLITQKGLU-UHFFFAOYSA-N 324.764 1.243 10 10 DDCE COC(=O)/C=C/c1ccc(N2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])c1 768528320 XOTNEVGUAPXXPG-SSOYPGSPSA-N 306.318 1.598 10 10 DDCE C[C@@H](NC[C@]12COCCN1C(=O)OC2)c1ccc(F)cc1O 866521176 LEQDLCGGWXRXLW-MEBBXXQBSA-N 310.325 1.403 10 10 DDCE Cc1cc(CNC(=O)CCc2nn[nH]n2)c(C)n1-c1ccccc1 869456070 CWRUVQXNEPKKTI-UHFFFAOYSA-N 324.388 1.856 10 10 DDCE CN(C)C(=O)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 1136403058 YUEBBKRKBKDUOJ-UHFFFAOYSA-N 305.338 1.447 10 10 DDCE O=C(c1cc2cc(O)c(O)cc2s1)N1C[C@@H]2C[C@]2(CO)C1 897502066 HAOPTWSLZLJONJ-BJOHPYRUSA-N 305.355 1.767 10 10 DDCE CCOc1ccc(CN[C@@H](C[C@H]2CCCO2)C(=O)OC)c(O)c1 895864603 QGGRDVXKFKLRAC-HIFRSBDPSA-N 323.389 1.991 10 10 DDCE CC(=O)NC1CCC(C(=O)NCc2c(O)cccc2O)CC1 1156886114 UKPJRZSUSRHIHN-UHFFFAOYSA-N 306.362 1.409 10 10 DDCE Cn1cc(-c2nn(C)cc2C(=O)N2Cc3cccc(O)c3C2)cn1 1152574012 PLILSZPARVRBAO-UHFFFAOYSA-N 323.356 1.682 10 10 DDCE O=C1NC(C(=O)O)=C[C@H](c2cc(Br)ccc2O)N1 76257105 ANJMSDRQQVYACV-SSDOTTSWSA-N 313.107 1.477 10 10 DDCE CC1=C(C(=O)NCc2ccc(N(C)C)cc2)S(=O)(=O)CCO1 1290250060 QESPARSIMUVXTE-UHFFFAOYSA-N 324.402 1.045 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@@H](c2cc(O)n[nH]2)C1 1452724638 GBFJMAZYBCGDMO-CJHWANRJSA-N 315.329 1.556 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1nncn1-c1ccccc1 1466170705 JQMXQWKIJHDAFE-UHFFFAOYSA-N 310.313 1.860 10 10 DDCE C[C@@](O)(CNC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1465233903 FXEJNFIKLDPJMS-QGZVFWFLSA-N 301.342 1.664 10 10 DDCE C[C@@H](N)c1ccc(N2CC[C@H](S(C)(=O)=O)C2)cc1Cl 2123338289 XGXMRXCFFXMTTR-KOLCDFICSA-N 302.827 1.983 10 10 DDCE COc1ccc(CN[C@H](C)CNC(=O)c2cnns2)cc1C 1714211129 GOSJSLJQOYZGJU-LLVKDONJSA-N 320.418 1.763 10 10 DDCE Cn1cncc1CCC(=O)NCc1ccc2cccnc2c1O 1639621464 FXEQTZAAGOZYTK-UHFFFAOYSA-N 310.357 1.923 10 10 DDCE O=C(NCC(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1 1644088317 PDTISWWUNVUXAI-UHFFFAOYSA-N 314.316 1.804 10 10 DDCE Cc1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1-n1cnnn1 1643169257 PFSLIZPHQIEXDP-UHFFFAOYSA-N 321.340 1.832 10 10 DDCE CN(C)c1cccc(NS(=O)(=O)c2ccccc2NN)c1 161315086 OOSNSJVLFISTDJ-UHFFFAOYSA-N 306.391 1.839 10 10 DDCE CN[C@@H]1C(=O)Nc2cc(N3CCC(C)(O)CC3)c(Cl)cc21 160495856 MROBKGUHVIOCQB-ZDUSSCGKSA-N 309.797 1.904 10 10 DDCE COc1ccc(N2CCN(C(=O)CN3CCCCC3)CC2)cc1 10343877 FXTIVUIRHGNVGU-UHFFFAOYSA-N 317.433 1.830 10 10 DDCE CN(C)[C@@H]1COC[C@@H]1Nc1c(N)cccc1Br 1922027093 GXGAVTVLFPCWAP-WDEREUQCSA-N 300.200 1.772 10 10 DDCE CS(=O)(=O)C[C@H]1C[C@@H](NCc2c(O)cccc2Cl)C1 1974490860 SVGNNJRYRZZOED-AOOOYVTPSA-N 303.811 1.958 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(Cc2ccc(N)cc2)C1 1980081924 SNZOBPYPPOIXDL-HUUCEWRRSA-N 321.421 1.729 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NC(=O)c1ccc(O)c(O)c1 1986696380 PRZIPHFALPGLHK-MNOVXSKESA-N 322.361 1.883 10 10 DDCE NC(=O)[C@H]1CC[C@H](NCc2c(O)cccc2Br)C1 2029530368 SKDGXVDFNLTKBS-IUCAKERBSA-N 313.195 1.898 10 10 DDCE COC1(CO)CN(c2cc(Br)c(CN)cc2F)C1 2039553316 UKQMUMPUNXJTQP-UHFFFAOYSA-N 319.174 1.244 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3CCC[C@H]4OCC[C@@H]34)c2n1 2063691580 YJOOBMULRPPTLK-CYZMBNFOSA-N 316.361 1.431 10 10 DDCE Oc1cc(O)c(Cn2nc(O)cc2Br)c(O)c1 2070300227 VLJLKWXKZZULPF-UHFFFAOYSA-N 301.096 1.516 10 10 DDCE Oc1cc(Br)ccc1CNCC[C@@H]1COC[C@H]1O 2048711379 SVYXZJCCDPEQDC-ZWNOBZJWSA-N 316.195 1.642 10 10 DDCE COc1ccc(N2C[C@H](O)[C@@H](O)C2)c(OC)c1Br 2219389351 GUJQZXIQNRHFGO-IUCAKERBSA-N 318.167 1.008 10 10 DDCE C[C@H]1CC[C@@H](S(C)(=O)=O)CN1Cc1cc(F)ccc1O 2279352781 LYMFAVOBHAYFKL-GXFFZTMASA-N 301.383 1.929 10 10 DDCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNN1CCCCC1 2296557818 CLIDQMWVPRZRDE-UHFFFAOYSA-N 314.345 1.144 10 10 DDCE CN[C@@H](C)C(=O)NCc1ccc(C)c(Br)c1O 2307568131 ATNJPMQNJICDMU-QMMMGPOBSA-N 301.184 1.687 10 10 DDCE Cn1cc(Br)nc1[C@@H](O)[C@H](N)c1ccccc1O 2328463109 WCHBZRDQKFHIHK-MNOVXSKESA-N 312.167 1.622 10 10 DDCE Cc1cc(C)nc(NCc2ccc(N3CCNC(=O)C3)cc2)n1 29627413 URMLRGYDXIQAPR-UHFFFAOYSA-N 311.389 1.642 10 10 DDCE COC[C@@H](O)CNCc1cc(Br)cc(C)c1O 305767101 FPOHLCHRBVSQFS-NSHDSACASA-N 304.184 1.560 10 10 DDCE CC(C)NC(=O)CCN(C)Cc1ccc(N2CCOCC2)cc1 76549248 SDGYFEYZZDKELI-UHFFFAOYSA-N 319.449 1.870 10 10 DDCE CC[C@H]1CN(C(=O)Cc2ccc(N)cc2)CCN1C[C@H](C)O 246553045 UABBIPDHRPORKI-BBRMVZONSA-N 305.422 1.115 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](O)C1CCOCC1 530826642 FXXYYYDUPAKJFU-INIZCTEOSA-N 320.389 1.266 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)CCC(=O)NC1 281126613 DQQVWKKOHDPREC-QGZVFWFLSA-N 303.406 1.627 10 10 DDCE CC[C@@H](NCc1cc(OC)c(OC)cc1O)[C@H](O)C(F)F 295082323 QNBNSGQFXCYWCX-RNCFNFMXSA-N 305.321 1.904 10 10 DDCE CO[C@@H]1CN(c2ccc([C@H](C)N)cc2Br)C[C@H]1O 396065570 RJZBCURQJAJMTP-ZEGGKSINSA-N 315.211 1.665 10 10 DDCE CCOc1cc(O)ccc1NS(=O)(=O)CCC(=O)OC 811699923 AEXDXEFKEZJTLZ-UHFFFAOYSA-N 303.336 1.096 10 10 DDCE COc1ccc(N2CCCN(C[C@](C)(O)C(C)=O)CC2)cc1 827468486 SQVAPKJHQINSHG-KRWDZBQOSA-N 306.406 1.547 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCn3nncc3C2)cc1F 847303351 SMUBDXJVGGFAHU-UHFFFAOYSA-N 318.356 1.209 10 10 DDCE COC[C@@]1(C(=O)O)CCN(Cc2ccc(N(C)C)c(C)c2)C1 846274362 QXUYOBUSLFQARS-QGZVFWFLSA-N 306.406 1.984 10 10 DDCE CCc1cccc(CN2CCN(c3nncn3C)CC2)c1O 848925688 CBPUFGHHJGMUER-UHFFFAOYSA-N 301.394 1.405 10 10 DDCE CN(Cc1ccc[nH]1)C(=O)c1cc(NS(C)(=O)=O)ccc1O 747518058 YTYYQXVADVURMP-UHFFFAOYSA-N 323.374 1.364 10 10 DDCE c1cc(N2CCOCC2)ccc1CN(C1CC1)[C@H]1CCNC1 843055460 JQMJJIAWFQAOHK-SFHVURJKSA-N 301.434 1.850 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@@H]2CCN(S(C)(=O)=O)C2)cc1 846030444 DKAWKABSZFFRBU-MBVDDHJVSA-N 323.462 1.389 10 10 DDCE CC(C)(C)N1C[C@H](NC(=O)NCc2c(O)cccc2F)CC1=O 921345121 SNSRCQOJGQHPKK-SNVBAGLBSA-N 323.368 1.730 10 10 DDCE O=C1CC[C@@]2(C(=O)NCc3c(O)cccc3F)SCCN12 928709780 LJYBEKKVJUPXCJ-AWEZNQCLSA-N 310.350 1.213 10 10 DDCE CC(=O)N1CCC[C@@H](CNC(=O)NCc2c(O)cccc2F)C1 922287790 IUHLGALPFCLPJB-LBPRGKRZSA-N 323.368 1.589 10 10 DDCE COC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCCOC1 924684174 CIKVRXQOOOQSQT-MPCGPATOSA-N 321.373 1.669 10 10 DDCE CCCNCCNC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 851663255 WYXARUBRKLVSRT-AWEZNQCLSA-N 320.437 1.573 10 10 DDCE COc1ccc(N2CC[C@@H](NC3CCN(C(N)=O)CC3)C2)cc1 850347813 YCXFIVSKDAXYKA-CQSZACIVSA-N 318.421 1.407 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)NC3CCOCC3)C2)cc1 851981589 CDPGTPLOXRIDPQ-AWEZNQCLSA-N 319.405 1.752 10 10 DDCE COc1ccc(O)c(CNC(=O)c2nc([C@@H]3C[C@H]3C)no2)c1 865937783 ZEDWTPPGDBSYSY-LDYMZIIASA-N 303.318 1.837 10 10 DDCE Cn1cc(N)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)n1 1876526171 WXIBLVOZLWDSMN-UHFFFAOYSA-N 302.743 1.162 10 10 DDCE CC[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)NC 897937059 FRGOCATUEBCGAT-MRVPVSSYSA-N 308.359 1.567 10 10 DDCE Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@](C)(O)CO)cc1 798264649 ONPXQSHKXDVARJ-QGZVFWFLSA-N 302.374 1.567 10 10 DDCE Nc1ccc(OCCN2CC(NC(=O)C(F)(F)F)C2)cc1 1959549944 SZFLSFXZJKDQKH-UHFFFAOYSA-N 303.284 1.010 10 10 DDCE CN(CCN=[N+]=[N-])C(=O)COCCNC(=O)OC(C)(C)C 1885560335 BIWVTPYNGDTSDU-UHFFFAOYSA-N 301.347 1.296 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cncc(-n2ccnn2)c1 1304053283 GPXHJBWIXZRXIN-UHFFFAOYSA-N 311.301 1.004 10 10 DDCE O=C(N[C@H]1CCO[C@]2(CCOC2)C1)c1c(F)ccc(O)c1O 1161091900 JCSNLQNNDBOJHA-BJOHPYRUSA-N 311.309 1.305 10 10 DDCE COc1ccc(CNCCN(C)C(=O)Cc2cnoc2)cc1C 1317620853 YHBKYWXWJNNPCD-UHFFFAOYSA-N 317.389 1.782 10 10 DDCE COc1ccccc1OCC(=O)NCc1c(O)cccc1O 1178905677 QLFTVKGHEMDEHM-UHFFFAOYSA-N 303.314 1.802 10 10 DDCE NC(=O)CCCCNCc1c(O)cccc1Br 706855892 ZTRDIXRYLJVKSB-UHFFFAOYSA-N 301.184 1.900 10 10 DDCE C[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)cc2)CC(=O)N1C 1327067632 LDNUGHNRXRJKIX-OAHLLOKOSA-N 316.449 1.101 10 10 DDCE Cn1ncc(CNCc2cc(Br)cc(F)c2O)n1 715711000 BCGOGDGUDVXOIR-UHFFFAOYSA-N 315.146 1.712 10 10 DDCE CCN(C(=O)C(=O)N(C)Cc1ccccc1O)[C@@H]1CCCOC1 1349615955 XEFWQAUSRMFMDK-CQSZACIVSA-N 320.389 1.378 10 10 DDCE COc1cccc([C@@H](O)CNC(=O)Cc2ccc(O)c(O)c2)c1 1622527244 YVYFVLQZQXCYQD-INIZCTEOSA-N 317.341 1.499 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1ncoc1-c1ccon1 1630306999 QVXAMBGLSVCJND-UHFFFAOYSA-N 301.258 1.671 10 10 DDCE Cn1cc([C@H](CO)NC(=O)c2ccc(N=NC(N)=O)cc2)cn1 1631991004 HVTNVONVUCKESI-LBPRGKRZSA-N 316.321 1.046 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2ccc(S(C)(=O)=O)o2)c1 1640796643 JPXRJEHSHIISNG-UHFFFAOYSA-N 309.343 1.627 10 10 DDCE COc1cc(C(N)=O)ccc1NC(=O)Cc1ccc(O)c(O)c1 1570294934 BAMLPKSNWWADGC-UHFFFAOYSA-N 316.313 1.387 10 10 DDCE COc1ccc(CN[C@H](C)CN(C)C(=O)c2cc[nH]n2)cc1C 1774109026 RLVJKNHCVUARME-CYBMUJFWSA-N 316.405 1.977 10 10 DDCE CSCc1n[nH]c(CNC(=O)NCc2ccccc2O)n1 1685249035 WBHIQBNKEQCFNJ-UHFFFAOYSA-N 307.379 1.373 10 10 DDCE OCc1ccc(N2C[C@@H](O)C(F)(F)C2)cc1Br 1946656239 GTTLRMVSVCWJSJ-SNVBAGLBSA-N 308.122 1.758 10 10 DDCE CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1c(O)cc(O)cc1O 1951370572 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DDCE CNCc1ccc(N2CC(CS(=O)(=O)C(F)F)C2)cc1 2173171536 PNRJQECNYGONHM-UHFFFAOYSA-N 304.362 1.480 10 10 DDCE NCc1ccc(N2CC(=O)N[C@H]3CC[C@H]32)cc1Br 2049372514 URMAENUTEGRLMS-NWDGAFQWSA-N 310.195 1.375 10 10 DDCE Cn1c(Br)nnc1CNCc1ccc(F)cc1O 2084167696 DLIZNAUVMWWTLV-UHFFFAOYSA-N 315.146 1.712 10 10 DDCE C[C@H](NS(=O)(=O)Cc1ccc(N)cc1)[C@H]1CCSC1 2089897174 IANIFAYPNNJPIB-JQWIXIFHSA-N 300.449 1.830 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)S2)s1 2270676191 UDDBXRQFURFTEZ-SFYZADRCSA-N 318.445 1.830 10 10 DDCE CNC[C@H](C)N(C)Cc1cc(Br)c(O)cc1O 2248028578 LPDHEFXMJOYNMT-QMMMGPOBSA-N 303.200 1.900 10 10 DDCE CSc1ncc(CNC(=O)c2c[nH]c(C)cc2=NN)s1 2284708912 COQWJHCZEHPAFD-UHFFFAOYSA-N 309.420 1.206 10 10 DDCE COc1cc(OC)c(N2CCO[C@@H]([C@@H](C)O)C2)cc1Cl 2285877538 SNBBJQNBVXYAJG-YMTOWFKASA-N 301.770 1.943 10 10 DDCE CSc1ncc(CNC2(C(=O)O)CC(CCN)C2)s1 2349505614 PSROPLDKVOAZPM-UHFFFAOYSA-N 301.437 1.537 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CC[C@@H](N(C)C)C2)cc1F 170835299 MAHGXTJDTAEUAX-CYBMUJFWSA-N 308.401 1.737 10 10 DDCE COc1ncccc1CNC(=O)/C=C/c1ccc(O)c(O)c1 180631183 DEGARCKCBNTDSE-FNORWQNLSA-N 300.314 1.831 10 10 DDCE CCN(CC(=O)OC)Cc1cc(Cl)cc([N+](=O)[O-])c1O 271165991 SHTMFGAZTAPUIZ-UHFFFAOYSA-N 302.714 1.949 10 10 DDCE CC[C@@H](NCc1cc(OC)c(OC)cc1O)[C@@H](O)C(F)F 295082320 QNBNSGQFXCYWCX-NOZJJQNGSA-N 305.321 1.904 10 10 DDCE CN(Cc1ccccc1O)c1nnc([C@@H]2COCCO2)n1C 809851998 VBDSJDXIRPFZCO-ZDUSSCGKSA-N 304.350 1.245 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1cnn(C)n1 826658281 UYZNEZZPXNGSKL-UHFFFAOYSA-N 315.377 1.239 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)/C=C/Cn2cncn2)c1 901127166 JTBWLAXBPJDBMM-UFFNRZRYSA-N 302.334 1.426 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCN(C2CC2)C1 588403913 HUPHLNLKLMRTBW-IUAZIXFQSA-N 302.374 1.712 10 10 DDCE C[C@@H]1CN(CCO)CCN1C/C=C\c1ccc(N(C)C)cc1 835053030 AEOFAVLCLIHNKP-YIEVGGLXSA-N 303.450 1.764 10 10 DDCE O=C(NCC(=O)N1CCCCC1)NCc1c(O)cccc1F 914084691 NHFQYQWMSLLJFR-UHFFFAOYSA-N 309.341 1.343 10 10 DDCE O=C1[C@H](NCc2cc(Cl)ccc2O)CCN1C1CCOCC1 747624711 SLZVXYHWYXGJGJ-CQSZACIVSA-N 324.808 1.915 10 10 DDCE C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@H]1[C@H]2CN[C@H]1C2 925500343 DLLXHGMHWUXYBZ-DHXZDTOLSA-N 301.434 1.609 10 10 DDCE CCN1OC[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1=O 851717011 UGKIJSZROJZZFC-MRXNPFEDSA-N 319.405 1.117 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@](C)(O)C3CCC3)C2)cc1 855226938 RCTDIWSUGUBHKC-RDTXWAMCSA-N 318.417 1.941 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cnnc(C)c3)C2)cc1 855228055 UPDUYYQTNZRRKP-AWEZNQCLSA-N 312.373 1.802 10 10 DDCE COC(=O)C1(CS(=O)(=O)N[C@H](C)c2ccccc2O)CC1 867835338 XALQIBGXDCSILH-SNVBAGLBSA-N 313.375 1.326 10 10 DDCE CCOC(=O)C[C@@H](O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 773882558 GEXJOIZPUZYSAI-OAHLLOKOSA-N 322.405 1.415 10 10 DDCE CCOC(=O)[C@@]1(C)CN(C(=O)c2ccc(C)c(O)c2O)CCO1 871225843 YXAPVAHJKIZVID-MRXNPFEDSA-N 323.345 1.200 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1Cc2cccnc2C1 1123779048 GYYGSVJNOZDGSR-SMDDNHRTSA-N 312.369 1.955 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1Cc2cccnc2C1 1123779042 GYYGSVJNOZDGSR-BXUZGUMPSA-N 312.369 1.955 10 10 DDCE COC[C@]1(C(=O)OC)CCCN1Cc1cc(F)cc(F)c1O 895314707 PGTXSQIQCVSQNR-HNNXBMFYSA-N 315.316 1.824 10 10 DDCE OC[C@@]1(C(F)(F)F)CCN(Cc2cc3c(cc2O)OCO3)C1 895845719 OOJOMIFPQRYJFM-CYBMUJFWSA-N 319.279 1.868 10 10 DDCE Cn1nc([C@H]2CCCO2)cc1NC(=O)Cc1ccc(O)c(O)c1 1140037773 XNLNQTIZPHQUCD-CQSZACIVSA-N 317.345 1.864 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)cc1 1142737196 DVMPVRVRXIEFKE-JTQLQIEISA-N 313.321 1.597 10 10 DDCE CC1=C[C@H](C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 797776987 CWIRFDSODHUTHM-JTQLQIEISA-N 324.402 1.802 10 10 DDCE CC[C@]1(C)CN(CN2CCNCC2)c2ccc(OC)cc2N1 76931143 RSJOTUSMDAHYNL-QGZVFWFLSA-N 304.438 1.959 10 10 DDCE CNC(=O)C1(NCc2ccc(N3CCCC3)cc2)CCOCC1 1331511470 CPMPHFGZUCWMOT-UHFFFAOYSA-N 317.433 1.672 10 10 DDCE O=C(O)[C@@H](NCc1c(O)ccc(Cl)c1F)[C@H]1CCCO1 1261845939 SLTXOMONZMOOAE-PWSUYJOCSA-N 303.717 1.907 10 10 DDCE CCC(=O)N[C@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 1355189502 HPWZVYMXFNEHQT-SNVBAGLBSA-N 319.365 1.884 10 10 DDCE C[C@@H]1C[C@H]2CC[C@H](C(=O)NCCc3ccc(O)c(O)c3)CN2C1 1521265897 JWCDBGJEEHMBEP-VHDGCEQUSA-N 318.417 1.877 10 10 DDCE CC(C)(C)N1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1=O 1469407171 YEYSCTDEKJKQKB-NSHDSACASA-N 306.362 1.156 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 1465732621 QNERPPVOMQGLIQ-LLVKDONJSA-N 315.333 1.342 10 10 DDCE COC(=O)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C 1542531665 JQFOMRMNGXFMMK-NSHDSACASA-N 306.322 1.776 10 10 DDCE O=C1Cc2c(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)ccnc2N1 1625019355 AQDMFYMSCXBWFQ-UHFFFAOYSA-N 324.296 1.687 10 10 DDCE CCN1CC[C@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 1631363056 APXVFKNQZHAZSG-YOEHRIQHSA-N 317.433 1.795 10 10 DDCE [N-]=[N+]=N[C@H]1CCN(S(=O)(=O)c2cccc3nsnc23)C1 1912184852 ITVUDVXMYFZNDX-ZETCQYMHSA-N 310.364 1.765 10 10 DDCE O=C(O)CCN1C(=O)/C(=C\N2CCCCC2)SC1=S 11765492 HCCGADRXPOKCPS-CMDGGOBGSA-N 300.405 1.649 10 10 DDCE COc1ccc(N2CCN(CC3(O)CCOCC3)CC2)cc1F 156751739 IITKLUWUUFBSCN-UHFFFAOYSA-N 324.396 1.498 10 10 DDCE CC(C)(C)OC(=O)N1CCNC[C@@H](c2cc(O)c(O)c(O)c2)C1 1952450898 MLWKPVRLMWPFRR-LLVKDONJSA-N 324.377 1.727 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCN=[N+]=[N-] 1985096586 TWQTUJNKBJZBCO-JTQLQIEISA-N 323.357 1.272 10 10 DDCE CN([C@@H]1CCN(Cc2cc(Cl)ccc2O)C1)S(C)(=O)=O 2146950273 DHDIKMMQFSCTRD-GFCCVEGCSA-N 318.826 1.511 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)N1CCC(CO)CC1 2157772402 JVUKUMUQJGRGSO-UHFFFAOYSA-N 320.798 1.407 10 10 DDCE CCOC(=O)Cc1cc(O)n2nc(C(C)(C)C)c(C(=O)O)c2n1 2080917880 JDQJDESZFAFDGV-UHFFFAOYSA-N 321.333 1.536 10 10 DDCE C[C@H](N)c1cc(F)c(N2CC[C@H](S(C)(=O)=O)C2)c(F)c1 2194703883 WPZZRGPHGNCVKX-WPRPVWTQSA-N 304.362 1.608 10 10 DDCE OC[C@@H]1COCC[C@H]1NCc1c(O)cccc1Br 2072979432 ARZLBFAJGUBAEL-BXKDBHETSA-N 316.195 1.642 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)c1n[nH]cc1CO 2101574083 SJNHGGRQOLDCIY-UHFFFAOYSA-N 303.727 1.062 10 10 DDCE OCc1ccc(N2C[C@@H](O)C[C@H](F)C2)c(Br)c1 2213893050 BBHKFBJQEJCCOY-UWVGGRQHSA-N 304.159 1.851 10 10 DDCE COC1(OC)CCOC[C@H]1NCc1cnc(SC)s1 2269277275 BUIJZQMVDKTWDS-SNVBAGLBSA-N 304.437 1.733 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2cccc(=N)[nH]2)s1 2269286803 YVZDMQOKCRDVIQ-UHFFFAOYSA-N 316.433 1.151 10 10 DDCE CSc1ncc(CNC(=O)N[C@@H]2C[C@]23C[C@H]3C(=O)O)s1 2284537055 LXTOJZSQPDCLMC-SXMVTHIZSA-N 313.404 1.527 10 10 DDCE Cc1ccc(CNC[C@@H]2COC[C@H]2O)c(O)c1Br 2327626961 QUBOJNORBNDUNZ-GHMZBOCLSA-N 316.195 1.560 10 10 DDCE COc1ccc(N(C)C[C@H](O)CN2CCOCC2)cc1Cl 305084388 YEGKWHULCYHFPB-ZDUSSCGKSA-N 314.813 1.478 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1 40315542 AFNNFVCJXCTURG-CYBMUJFWSA-N 309.435 1.173 10 10 DDCE CN1CCN(NCc2cc(Br)ccc2O)CC1 234327179 FIMBBARDJFCYDV-UHFFFAOYSA-N 300.200 1.407 10 10 DDCE COCCNC(=O)N1CCN(c2ccc(OC)c(OC)c2)CC1 242928735 GYCCKAQWJUUWOU-UHFFFAOYSA-N 323.393 1.182 10 10 DDCE [N-]=[N+]=NCCNS(=O)(=O)[C@H]1C[C@H](OCc2ccccc2)C1 1955641239 RRJKZVJACUSNAO-JOCQHMNTSA-N 310.379 1.964 10 10 DDCE COc1ccc(Br)c(CNCCCC(N)=O)c1O 2220453267 YSPSLZWQOPWBCO-UHFFFAOYSA-N 317.183 1.518 10 10 DDCE 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COC(=O)c1ccc(O)c([C@H](C)NCC[C@]2(O)CCOC2)c1 846192795 JQAXWRKUJVBVPE-ZBEGNZNMSA-N 309.362 1.371 10 10 DDCE COC[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)cc(OC)c1O 846048133 VXGRNBIZBKGXNV-NWDGAFQWSA-N 301.770 1.636 10 10 DDCE Cn1nc(O)c2c1CN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 913031627 PCEWDWXULVKPMC-HWKANZROSA-N 315.329 1.135 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[C@H]3C[C@@H]3C2)cc1 843261545 MAJCCANXYYJJCO-GZBFAFLISA-N 301.390 1.232 10 10 DDCE Cc1ccc(O)c(CNC(=O)NCc2noc3c2COCC3)c1 927894208 KAMGZIIZEIXXMY-UHFFFAOYSA-N 317.345 1.761 10 10 DDCE C[C@H]1CC[C@@H](NCc2ccc(N(C)C)c(F)c2)CS1(=O)=O 850369003 RBHKNKGXDLCXTK-WCQYABFASA-N 314.426 1.947 10 10 DDCE CCN(CC1CC1)S(=O)(=O)NCc1c(O)cccc1F 921452209 HRIXGLIPOHSLJH-UHFFFAOYSA-N 302.371 1.598 10 10 DDCE CC(C)OC(=O)[C@H](C)CNC(=O)NCc1c(O)cccc1F 920769439 GVKGGLWPYYYXAZ-SNVBAGLBSA-N 312.341 1.918 10 10 DDCE COCc1n[nH]c(CNC/C=C\c2ccc(N(C)C)cc2)n1 850360736 OSBNRKNSHZJGRU-PLNGDYQASA-N 301.394 1.820 10 10 DDCE O=C(NCc1ccc(N2CCCCC2)cc1)C1CS(=O)(=O)C1 865031477 OVGHYWFTCHWZLW-UHFFFAOYSA-N 322.430 1.338 10 10 DDCE C[C@H](NC(=O)NCC1(N2CCOCC2)CC1)c1ccccc1O 868544661 GFSFUEHBFHKIQM-ZDUSSCGKSA-N 319.405 1.617 10 10 DDCE CC(C)(C)n1nnnc1COC(=O)/C=C\c1ccc(O)c(O)c1 766210830 ALJBIIQAGJNATK-ALCCZGGFSA-N 318.333 1.596 10 10 DDCE CCS(=O)(=O)C1(CNCc2cc(C)cc(OC)c2O)CC1 895332564 MLXJFVHSKKABBK-UHFFFAOYSA-N 313.419 1.766 10 10 DDCE COc1ccc(C(=O)NCc2cc(O)ccc2O)cc1[N+](=O)[O-] 1153879037 BRGNGVLJMXALQY-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE CN(Cc1ccccc1O)c1nnnn1CCc1ccccn1 1351041852 AOOPWKJJUPJFMK-UHFFFAOYSA-N 310.361 1.653 10 10 DDCE CNC(=O)NCCCNCc1ccc(Br)cc1O 1964611324 CQDOVEFTQRRSBB-UHFFFAOYSA-N 316.199 1.563 10 10 DDCE CC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)OCCO1 1334427206 AFQSUQUZJGSFET-UHFFFAOYSA-N 309.343 1.805 10 10 DDCE COCCCOC1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 1444545790 MBJANQSNQKRWRK-UHFFFAOYSA-N 323.389 1.684 10 10 DDCE CN1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)CC1=O 1451980109 NBCHFBNDFVSARZ-JTQLQIEISA-N 317.349 1.447 10 10 DDCE COc1cc(C(=O)N[C@@H](C)CNC(=O)CC2CC2)cc(OC)n1 1295401196 NCESXPBMROFNRG-JTQLQIEISA-N 321.377 1.133 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccn(CCOC)n1 1467841119 SLMXYOXIXVZBDD-UHFFFAOYSA-N 324.377 1.651 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc2nccn2c1 1532657293 XZWXISDWNFEIIS-UHFFFAOYSA-N 323.356 1.835 10 10 DDCE Nc1ccc(CC(=O)N2C[C@H](C(=O)O)[C@@H](C(F)(F)F)C2)cc1 1615631389 BEMOHGVXHFHWOH-QWRGUYRKSA-N 316.279 1.533 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCc2nn[nH]c21 1636058780 QSYRBCJINNTJJK-JTQLQIEISA-N 321.377 1.732 10 10 DDCE CCOC(=O)NS(=O)(=O)N1CCCC[C@H](CN=[N+]=[N-])C1 1912198026 BIYUYLBTJMWKNQ-SECBINFHSA-N 305.360 1.390 10 10 DDCE NC(=O)c1ccc(/C=C/C(=O)NCc2c(O)cccc2O)o1 1647289443 DJGQXLGSCJATSY-FNORWQNLSA-N 302.286 1.119 10 10 DDCE Nc1ccc(CCNC(=O)c2cccc(-n3cccn3)n2)cc1 152532975 UCLUZENAQKVCKK-UHFFFAOYSA-N 307.357 1.822 10 10 DDCE O=C1CCN(C(=O)NCCCSc2nccs2)CCN1 154580925 BUXRXXGKIWAPTQ-UHFFFAOYSA-N 314.436 1.157 10 10 DDCE Nc1ccc(CS(=O)(=O)NCCSC(F)(F)F)cc1 224150489 VBRLKDHSFFFYRY-UHFFFAOYSA-N 314.354 1.941 10 10 DDCE C[C@@H](c1cc(F)ccc1O)N(C)C[C@@H]1CCS(=O)(=O)C1 2148786381 FQBAIKQJEMFTGL-QWRGUYRKSA-N 301.383 1.959 10 10 DDCE CC(C)(NCc1ccc(Br)cc1O)c1nn[nH]n1 2033675007 ZYEBCAMZXAZVIG-UHFFFAOYSA-N 312.171 1.693 10 10 DDCE C[C@@]1(CO)C[C@H](O)CN1c1ccc(CO)c(Br)c1 698152596 QVHWRXHXSPDHSJ-AAEUAGOBSA-N 316.195 1.263 10 10 DDCE O=C1CC(CS(=O)(=O)Nc2ccc(O)cc2[N+](=O)[O-])C1 2173349082 SYBKXRFAGGOMKO-UHFFFAOYSA-N 300.292 1.021 10 10 DDCE CNC(=O)c1cc(C2CC2)nn1Cc1ccc(OC)cc1O 2070047542 TYUKBFSIDJNSDG-UHFFFAOYSA-N 301.346 1.883 10 10 DDCE Oc1c(F)cc(Br)cc1CN[C@@H]1C[C@H](O)C[C@@H]1O 2046487501 CXLLRKYPUFODNX-GDPRMGEGSA-N 320.158 1.268 10 10 DDCE OCc1ccc(N2CCC[C@H]2[C@H](O)CO)cc1Br 2059216399 HZZSOKKYRGHLBO-QWHCGFSZSA-N 316.195 1.263 10 10 DDCE Cn1c(C2=C[C@H](O)[C@H](N)C2)nc2c(Br)cccc21 2067758040 TZVVYYXLTCMFAY-KOLCDFICSA-N 308.179 1.811 10 10 DDCE C[C@@H]1CC[C@](COc2nnc(=N)[nH]n2)(NC(=O)OC(C)(C)C)C1 2210649233 GDALWKFMHIXTDY-OTYXRUKQSA-N 324.385 1.141 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)c1ccc(CO)c(OC)c1 2204546070 XKCXUGSZBJVXBV-NSHDSACASA-N 301.408 1.447 10 10 DDCE CSc1ncc(CNC(=O)[C@H](N)[C@@H](O)C(C)(C)C)s1 2269097369 CSJLZHWOUILQQS-RKDXNWHRSA-N 303.453 1.216 10 10 DDCE COCC[C@]1(C(=O)NCc2cnc(SC)s2)CCCN1 2284495404 YOXSGQQAEQOOJQ-ZDUSSCGKSA-N 315.464 1.640 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2[C@H]3CC[C@H]2CC(O)C3)cc1 111315278 JFUFYMVYYIPTDU-HOTGVXAUSA-N 317.433 1.357 10 10 DDCE Oc1cc2c(cc1CN1CC[C@H](N3CCOCC3)C1)CCC2 172959730 BGRINRNDTWELDP-KRWDZBQOSA-N 302.418 1.787 10 10 DDCE C[C@@H](O)c1cc(F)c(N2C[C@@H]3[C@H](C2)CS3(=O)=O)c(F)c1 2361483588 SNVAMKSWJJNELA-JWKOBGCHSA-N 303.330 1.251 10 10 DDCE CO[C@H]1CCC[C@H]1NS(=O)(=O)CCOc1ccc(N)cc1 70490824 CPSFYMVFBZIAPJ-KGLIPLIRSA-N 314.407 1.135 10 10 DDCE CC(C)S(=O)(=O)N(C)Nc1nc(C(C)(C)C(=O)O)cs1 2365339685 PZQLLCPXZXGLTL-UHFFFAOYSA-N 321.424 1.502 10 10 DDCE CC(=O)N1CCN(c2ccc(CN)cc2Br)CC1 212966844 QIIHPLMYFLFRNN-UHFFFAOYSA-N 312.211 1.576 10 10 DDCE COC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccc(N)cc1 40333203 CICUTXVNDKMKLB-ZDUSSCGKSA-N 312.391 1.126 10 10 DDCE COc1ccc([C@@H](C)N2CCN(S(C)(=O)=O)CC2)c(O)c1 134026547 BDGKRVRIRPFJCN-LLVKDONJSA-N 314.407 1.039 10 10 DDCE COc1cc(Cl)c(N2CC[C@@H](N)[C@@H](CO)C2)c(OC)c1 2368115551 BMQHNRSDJNWOQU-BXKDBHETSA-N 300.786 1.503 10 10 DDCE CN1C(=O)N[C@]2(CCC[C@H]2CNCc2ccccc2O)C1=O 371084844 HRTGORCFJSXNFZ-LRDDRELGSA-N 303.362 1.202 10 10 DDCE COc1ccc(O)c(CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 373215655 JOEJRTDGWVPILA-IUODEOHRSA-N 304.390 1.891 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CNC[C@H](CO)c2cccnc2)c1 808430916 LPTZILUYWWQRHZ-CYBMUJFWSA-N 303.318 1.561 10 10 DDCE CC(=O)C(=O)COC(=O)[C@]12CCC(=O)N1c1ccccc1S2 808499081 JBKUXTQKAQFIDG-OAHLLOKOSA-N 319.338 1.317 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)C(C)(C)S(C)(=O)=O 808096156 CTSBLHQDBFXVMF-UHFFFAOYSA-N 320.407 1.317 10 10 DDCE CN(C)c1ccc(CNC(=O)NCC[C@H]2CNC(=O)C2)cc1 913926357 AAPATHIWPJCKRF-CYBMUJFWSA-N 304.394 1.078 10 10 DDCE O=C1CSc2ncc(C(=O)NCc3ccccc3O)cc2N1 1154636542 RJNBUXTZGAUKCP-UHFFFAOYSA-N 315.354 1.761 10 10 DDCE COc1cccc(CNS(=O)(=O)[C@@H]2CCO[C@@H](C)C2)c1O 849377470 YQUBZRJTZWVJNB-CMPLNLGQSA-N 315.391 1.388 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)OCCOC1CCOCC1 859600454 DWBFZPMQKTUYNJ-DUXPYHPUSA-N 308.330 1.850 10 10 DDCE Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)c(O)c1O 855704760 YMQVIHDRHCBRPI-NXEZZACHSA-N 313.375 1.102 10 10 DDCE O=C(c1cc(O)cs1)N1CCc2nc[nH]c2C12CCOCC2 869037618 UJHCYGCYFWQAMD-UHFFFAOYSA-N 319.386 1.881 10 10 DDCE CCO[C@@H]1COCC[C@H]1CC(=O)NCc1cc(OC)ccc1O 866767546 UCRSSZRVHVFCDJ-BLLLJJGKSA-N 323.389 1.849 10 10 DDCE COC(=O)[C@@]12C[C@@H](NC(=O)c3ccc(C)c(O)c3O)C[C@@H]1C2 871557234 GNZABUIMIMSHNX-LSYCYVAJSA-N 305.330 1.478 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCN2C(=O)OCC[C@@H]2C1 779541042 WEJVIJQWOLMRNW-DTRQGZQOSA-N 318.329 1.164 10 10 DDCE CCN1CC[C@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 1135732759 FUHCSNIVMYHGNH-KRWDZBQOSA-N 317.433 1.576 10 10 DDCE COc1cccc(CNC(=O)C2CN(C3CCOCC3)C2)c1O 896117121 OARCFRVFEVUDKK-UHFFFAOYSA-N 320.389 1.128 10 10 DDCE CSc1ncc(C(=O)NCc2cc(C)ccc2O)c(O)n1 1167293586 KFCJOPFYLKCSOX-UHFFFAOYSA-N 305.359 1.848 10 10 DDCE CS(=O)(=O)[C@@H]1CCCN(Cc2ccc(F)c(F)c2O)C1 703530655 OVYHLVIWTWUABG-SNVBAGLBSA-N 305.346 1.679 10 10 DDCE CCO[C@@H]1COCC[C@H]1CC(=O)NCc1cccc(O)c1O 1520508971 QEKPMVLNFGETFZ-SMDDNHRTSA-N 309.362 1.546 10 10 DDCE CN1C(=O)CS/C1=C/C(=O)NCc1cc(Cl)ccc1O 1469877489 PLFFRPQWNIOYNP-WLRTZDKTSA-N 312.778 1.708 10 10 DDCE COCCn1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)n1 1544960355 CXDPEKJDKOAAOO-UHFFFAOYSA-N 316.321 1.944 10 10 DDCE CCOc1cc(CNCCC(=O)O)ccc1N1CCOCC1 211993308 DKKQULRXYGIEEE-UHFFFAOYSA-N 308.378 1.486 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cc2c(nc1O)CCOC2 1633599031 LYAILJXARGTJCU-UHFFFAOYSA-N 316.313 1.201 10 10 DDCE CSc1ncc(C(=O)NCCc2ccc(O)c(O)c2)c(O)n1 1566369954 FMJOYQZPPPZMEU-UHFFFAOYSA-N 321.358 1.288 10 10 DDCE CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)[C@@]1(O)CCCOC1 1642097668 JXTFKHREXDUECM-QGZVFWFLSA-N 323.389 1.324 10 10 DDCE O=C(C[C@@H](O)c1cccc(F)c1)NCc1c(O)cccc1O 1645363154 NWYNGWMZWKWUFJ-OAHLLOKOSA-N 305.305 1.977 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@]1([C@@H]2CCCCO2)CCCO1 1651225239 BJDDHOVVWGNNIL-RDJZCZTQSA-N 321.373 1.832 10 10 DDCE O=C(NCCNC(=O)c1cccs1)c1cc(O)c(O)c(O)c1 169839047 FYWHBHISIBTRDI-UHFFFAOYSA-N 322.342 1.025 10 10 DDCE CCCNCc1ccc(N2CC(=O)NC(=O)[C@H]2C)c(Cl)c1 164133486 DFWQZDYBVWBVOU-SNVBAGLBSA-N 309.797 1.691 10 10 DDCE Nc1ccc(CN2CCC[C@@H](NC(=O)Cc3ccncc3)C2)cc1 586071463 ONAJXABNASSDLL-GOSISDBHSA-N 324.428 1.987 10 10 DDCE COC(=O)C1(NCc2cccc(Br)c2O)CC1 2248237553 RIPNCCOTPXTGNU-UHFFFAOYSA-N 300.152 1.950 10 10 DDCE OCc1ccc(N2Cc3ncnc(O)c3C2)cc1Br 2141178584 JMAHXRFRJOQLAJ-UHFFFAOYSA-N 322.162 1.957 10 10 DDCE CCS(=O)(=O)N(C)CCNCc1cc(F)cc(F)c1O 1926377312 BZSZOJDJVIJOOY-UHFFFAOYSA-N 308.350 1.042 10 10 DDCE NCc1cc(F)c(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)c(F)c1 2151272109 JNSRQOPBHGKZIW-BXKDBHETSA-N 302.346 1.047 10 10 DDCE COCCn1nnnc1Sc1ncc(CNC(C)C)s1 2155335275 YEAKKEUAXMCOQP-UHFFFAOYSA-N 314.440 1.425 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](CO)C2)c(Br)c1 316231671 BZCACIUMUGCOIL-JQEORGNBSA-N 315.211 1.258 10 10 DDCE CN[C@@H](C)c1ccc(N2CC(C(N)=O)C2)cc1Br 723167606 SSZIOAAFJMGSRA-QMMMGPOBSA-N 312.211 1.651 10 10 DDCE CS(=O)(=O)CCN(c1ccc(CN)c(F)c1F)C1CC1 2170176549 WROXYACNBVYGFL-UHFFFAOYSA-N 304.362 1.437 10 10 DDCE Nc1ccc(Br)c(C(=O)C(=O)C[C@H]2C[C@H](N)C2)c1 2049785144 WNKCISRRFLJYOS-XWEPSHTISA-N 311.179 1.911 10 10 DDCE CCN(c1ccc(CO)cc1Br)[C@@H]1CCNC1=O 2051527679 GIXNKSPJJKTNFG-GFCCVEGCSA-N 313.195 1.656 10 10 DDCE O=C1NC[C@H]2CC[C@H]1N2c1ccc(CO)cc1Br 2052290509 ZEVXUVVLROVYJY-BXKDBHETSA-N 311.179 1.409 10 10 DDCE CSc1ncc(CNC(=O)[C@@H](C)O[C@@H](C)C(=O)O)s1 2269121847 SBVNANMZKXTEOT-RQJHMYQMSA-N 304.393 1.359 10 10 DDCE C[C@H](O)[C@@H](C(=O)O)N1C(=O)C(=Cc2ccccc2)SC1=S 2323823746 JKLFVMXMZRVBBP-KWQFWETISA-N 323.395 1.722 10 10 DDCE CCNCc1ccc(N2CCN(S(C)(=O)=O)CC2)c(F)c1 62085607 HNYMYSNOHHBFQO-UHFFFAOYSA-N 315.414 1.017 10 10 DDCE COCCN1CCN(Cc2cc(F)cc(C(C)=O)c2O)C[C@H]1C 175646629 FCWUBRFRGJXUCD-GFCCVEGCSA-N 324.396 1.886 10 10 DDCE COc1ccc(/C=C2/SC(N3CCN(C)CC3)=NC2=O)cc1 33314100 RLENGPISDPPDMP-SDNWHVSQSA-N 317.414 1.913 10 10 DDCE O=C(Nc1cc(Cl)nc(Cl)n1)c1cc(O)nc(O)c1 236595174 MCIJCABEPIUISG-UHFFFAOYSA-N 301.089 1.842 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1Cn1ccnc1 181165820 PAJFTUADKYTZEX-YVZNUBBCSA-N 313.357 1.999 10 10 DDCE CN1CC[C@H](CN(C)c2cc3c(cc2Cl)[C@H](N)C(=O)N3)C1 92752129 TXKTXAPQCRXTJA-XPTSAGLGSA-N 308.813 1.680 10 10 DDCE COc1ccc(N2CCN(C(=O)CC(=O)NC3CC3)CC2)cc1 244027933 SSULHGWAOCMRCV-UHFFFAOYSA-N 317.389 1.013 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnc(OCc2ccccc2)cn1 808541208 FKLUYVBYWDBIEX-UHFFFAOYSA-N 314.297 1.371 10 10 DDCE Cc1cc(CN2CCC(c3nc(=O)[nH][nH]3)CC2)ccc1N(C)C 294278301 VYKAFGXQHAVEKQ-UHFFFAOYSA-N 315.421 1.852 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H](O)CC 819698272 JYGUUSSZRDYPOT-ZDUSSCGKSA-N 309.362 1.445 10 10 DDCE COc1ccc(O)c(CNCC[S@@](=O)CC(F)(F)F)c1 826868340 RDIDXMDAPYRLEJ-HXUWFJFHSA-N 311.325 1.801 10 10 DDCE CCSc1ccccc1C(=O)N1C[C@H]2C[C@H]1CS2(=O)=O 585391548 NXXXCFFCKYBTSW-WDEREUQCSA-N 311.428 1.810 10 10 DDCE CN(Cc1ccccc1O)C(=O)NC1CCC(C(N)=O)CC1 747583899 PORTYJNNJGIKEG-UHFFFAOYSA-N 305.378 1.578 10 10 DDCE CNC(=O)c1cncc(/C=C/C(=O)N(C)c2c(C)noc2C)c1 747878110 AUCWSLYTXZHSHO-AATRIKPKSA-N 314.345 1.722 10 10 DDCE C/C(=C\C(=O)NCc1c(O)cccc1F)CN1CCOCC1 928709722 DXNYOHLRFUQBJT-FMIVXFBMSA-N 308.353 1.426 10 10 DDCE Cc1cc(C)n(CC(=O)NCc2c(O)cccc2F)c(=O)n1 928708555 OWBVYSGVGSWPPR-UHFFFAOYSA-N 305.309 1.021 10 10 DDCE CN1C[C@H](CCNC(=O)NCc2c(O)cccc2F)CC1=O 924766519 MFQGSNQYWHNIKK-SNVBAGLBSA-N 309.341 1.199 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@@]2(CO)COCCN2C)cc1 922534878 WHDYAHLBXJGWGS-PYTPGESOSA-N 319.449 1.049 10 10 DDCE CC(C)(C)OC(=O)[C@@]1(NC(=O)c2cccc(O)c2O)CCOC1 855641242 VMLOQZXHVAIYII-MRXNPFEDSA-N 323.345 1.328 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cc3nnc(C)o3)C2)cc1 855225843 MPXFFYRJOHLHJU-GFCCVEGCSA-N 316.361 1.324 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCCCN3C)C2)cc1 855228070 UUSAGSORBMBQPQ-WMLDXEAASA-N 317.433 1.874 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)N3CCO[C@H](C)C3)C2)cc1 852447325 ABIVWVVWVSXIDK-KGLIPLIRSA-N 319.405 1.704 10 10 DDCE COC(=O)[C@]1(OC)CCN(Cc2ccc(N(C)C)c(F)c2)C1 862475712 UZKBMSBYXLCPIE-INIZCTEOSA-N 310.369 1.656 10 10 DDCE CN(Cc1ccccc1O)C(=O)CC[C@@H]1CC[C@H](C(N)=O)O1 866597106 MZEYZMRQZJGRDV-GXTWGEPZSA-N 306.362 1.164 10 10 DDCE C[C@H](NC(=O)NCCN1CCOC[C@H]1C)c1ccccc1O 1119035402 PGOBZGDSYLXGQF-OLZOCXBDSA-N 307.394 1.473 10 10 DDCE O=C(C1CC1)N1CCC[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 871198010 DBKZJPWGLIWDEC-CQSZACIVSA-N 314.385 1.883 10 10 DDCE Cc1cc(N2CCC[C@@H](NC(=O)c3cc(O)cs3)C2)n(C)n1 774489035 ULDXFFWDZWNDIN-LLVKDONJSA-N 320.418 1.894 10 10 DDCE O=C1NCC2(CCOCC2)[C@@H]1NCc1cccc(Cl)c1O 895770555 GRFSJYWEEYHERH-CYBMUJFWSA-N 310.781 1.430 10 10 DDCE CC[C@@H](C(=O)C(=O)C[C@H]1C[C@H](N)C1)N(C)C(=O)OC(C)(C)C 1961043483 UMXSZJVBCMPVQT-SRVKXCTJSA-N 312.410 1.898 10 10 DDCE COc1ccc(C=O)cc1C(=O)NCc1ccc(O)cc1O 1142532972 AYXYOOURXHRDIC-UHFFFAOYSA-N 301.298 1.849 10 10 DDCE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N(C)CCN=[N+]=[N-] 1885560753 HWGZQUPFHSJUME-VIFPVBQESA-N 301.347 1.295 10 10 DDCE CS(=O)(=O)C[C@H]1CN(Cc2c(O)cccc2Cl)CCO1 897595510 NWUDUAPPPLIGRB-SNVBAGLBSA-N 319.810 1.291 10 10 DDCE O=C1NC[C@H](C(=O)NCc2c(O)cccc2O)c2ccccc21 1156885809 ORWWVLKPOVUOJR-LBPRGKRZSA-N 312.325 1.241 10 10 DDCE C[C@H](NC(=O)C(=O)NC[C@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 1327678025 MRWYTNDGIORDFR-SGMGOOAPSA-N 303.406 1.702 10 10 DDCE O=C(O)CCN(Cc1ccccc1)C(=O)c1cc(O)nc(O)c1 692444351 GSEDIQXHIAZWJN-UHFFFAOYSA-N 316.313 1.610 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1CN(C)C(=O)[C@H]1C 1332091842 XLNBZFHMVJUZFK-GFCCVEGCSA-N 304.394 1.391 10 10 DDCE C[C@@H]1OCC[C@]1(O)CNC(=O)c1ccc(N=NC(N)=O)cc1 1556391750 UJDCTBCDCZGFGX-XPTSAGLGSA-N 306.322 1.119 10 10 DDCE C[C@H]1CC(=O)NCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1629099318 IZVHXWDRSFAAQX-VIFPVBQESA-N 303.322 1.200 10 10 DDCE C[C@H](N)c1ccc(N2CCO[C@@H](CO)C2)c(Br)c1 168121254 LJGOCFDFAVQJCU-GXSJLCMTSA-N 315.211 1.666 10 10 DDCE O=C(NC[C@@H]1COc2ccccc2O1)c1cc(O)c(O)c(O)c1 1865876257 ZNPNXMXJEVUOJS-SNVBAGLBSA-N 317.297 1.373 10 10 DDCE COc1ccc(Br)c(CN2C[C@H]3C[C@]3(N)C2)c1O 1236025376 GVXUHYXSMSFULU-OQPBUACISA-N 313.195 1.696 10 10 DDCE CCOc1cccc(CNCCC(=O)N2CCN(C)CC2)c1O 1857864028 SKUROSFIZRCDBP-UHFFFAOYSA-N 321.421 1.045 10 10 DDCE Cc1cc(=NC(=O)CCNCc2ccc(N(C)C)cc2)cc[nH]1 1857851491 VVYNMDCNNUZDHG-UHFFFAOYSA-N 312.417 1.996 10 10 DDCE OC[C@H]1CO[C@@H](CNCc2c(O)cccc2Br)C1 1967896735 XWZWUGUOMXVATB-VHSXEESVSA-N 316.195 1.642 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](N)[C@@H]1Cc1ccc(O)c(O)c1 1952306501 NDMAYWLBOUAUGW-RYUDHWBXSA-N 308.378 1.977 10 10 DDCE C[C@H](N)c1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c(F)c1 2148778708 RSJRKAPEPUWDAE-QWRGUYRKSA-N 300.399 1.716 10 10 DDCE CO[C@@H]1CN(c2cc3c(cc2Cl)[C@H](O)C(=O)N3)C[C@@H]1F 2146472868 DQDPDFATRPQOKL-AXTRIDKLSA-N 300.717 1.499 10 10 DDCE C[C@@H](C[C@H]1CCCS1(=O)=O)NCc1c(O)cccc1F 2160778491 QMROCAPGINMYCB-WDEREUQCSA-N 301.383 1.977 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCN1CCS(=O)(=O)N1CCCCC1 2179619410 RWRSRHOTAMTFHY-LBPRGKRZSA-N 301.416 1.577 10 10 DDCE CS(=O)(=O)C[C@H]1CCCN1c1ccc(CO)c(Cl)c1 2094923492 LEBHBMFWHXGMHA-GFCCVEGCSA-N 303.811 1.846 10 10 DDCE CN(C(=O)c1c[nH]nc1CCN)c1ccc(Br)cc1 2227030606 MMWRKALLAZMKDH-UHFFFAOYSA-N 323.194 1.950 10 10 DDCE CCCN[C@@H]1COC[C@@H]1C(=O)NCc1cnc(SC)s1 2284504167 KEYPPBHRVLUTEP-WDEREUQCSA-N 315.464 1.496 10 10 DDCE CS(=O)(=O)c1cscc1CNCc1cccc(O)c1O 2288485656 YBCQFCPRYFIUEJ-UHFFFAOYSA-N 313.400 1.853 10 10 DDCE Cc1ccc(CN=c2ccc(=N)[nH][nH]2)c(O)c1Br 2327586134 KGCZCGDVNYIXLC-UHFFFAOYSA-N 309.167 1.700 10 10 DDCE Cc1ccc(CN(C)CC2(O)CNC2)c(O)c1Br 2327621272 LQQSHFQTORDGJF-UHFFFAOYSA-N 315.211 1.229 10 10 DDCE Cc1ncc(S(=O)(=O)N(Cc2ccc(N)cc2)C(C)C)[nH]1 70418353 VDJBCRMLIUWNOJ-UHFFFAOYSA-N 308.407 1.900 10 10 DDCE C[C@@H](c1ccccc1O)N(C)S(=O)(=O)C[C@@](C)(F)CN 2164487422 MDOPIXIJZKUYQU-GWCFXTLKSA-N 304.387 1.402 10 10 DDCE CN1CC2(CN(Cc3cc(Cl)c(F)cc3O)C2)OC1=O 817414758 NVUPNDIHJOKYMS-UHFFFAOYSA-N 300.717 1.821 10 10 DDCE COC[C@]1(C(=O)NCCCSc2nccs2)CCOC1 825822555 JTJDLJCUYDGOHQ-CYBMUJFWSA-N 316.448 1.795 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)COC1CCC(N)CC1 829764093 GKRPRDOPSIABRF-UHFFFAOYSA-N 319.449 1.964 10 10 DDCE CCOC(=O)c1ccc(NC(=O)NC(=O)C2=S=CC=C2)cc1 821191118 IBRKIJSRHYETTC-UHFFFAOYSA-N 318.354 1.789 10 10 DDCE O=C(O)C1(C(=O)NCc2c(O)cccc2F)CCSCC1 902854136 YLCAOYDSJOJVSS-UHFFFAOYSA-N 313.350 1.746 10 10 DDCE COc1cccc(O)c1CN1CC[C@H](Nc2ncccn2)C1 843415307 IYWIFIHKBNFEGI-LBPRGKRZSA-N 300.362 1.877 10 10 DDCE COC1CC(CCN2C(=O)CN(Cc3ccccc3O)C2=O)C1 849358574 ZAVQOEUKJSKTQM-UHFFFAOYSA-N 318.373 1.972 10 10 DDCE C[C@@H]1CCn2ncc(C(=O)NCc3ccc(O)cc3O)c2C1 910944436 MISLOLZIMBTPPE-SNVBAGLBSA-N 301.346 1.807 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](CN)[C@@H](c2cc(O)c(O)c(O)c2)C1 687749435 ZIMDZGXSDUIWSG-WDEREUQCSA-N 324.377 1.713 10 10 DDCE COC(=O)[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1 931064532 SRFZIWKDVSPEGP-WOVMCDHWSA-N 318.417 1.907 10 10 DDCE CN(CC(=O)N1Cc2cccc(O)c2C1)c1ncnc2[nH]cnc12 871200895 MBAHYAPPBWWSKU-UHFFFAOYSA-N 324.344 1.037 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NC[C@]1(CCO)CCOC1 779533571 JVJUNXPZSQJSAI-ICTCPBKTSA-N 307.346 1.016 10 10 DDCE CNC(=O)CCOC1CCN(Cc2cc(C)ccc2O)CC1 770285326 AXTLIIREWMECFL-UHFFFAOYSA-N 306.406 1.818 10 10 DDCE Cn1cc(CC2CN(C(=O)c3c(F)ccc(O)c3O)C2)cn1 899006849 FURHGDGJBYLAIU-UHFFFAOYSA-N 305.309 1.285 10 10 DDCE COC[C@H](NC(=O)c1c(F)ccc(O)c1O)[C@@H]1CCCOC1 899651901 BMCZNUGCMSOGBN-KOLCDFICSA-N 313.325 1.408 10 10 DDCE COC(=O)CCCCCNC(=O)NCc1ccc(OC)cc1O 792791471 DKWWMWDCVFHNKP-UHFFFAOYSA-N 324.377 1.933 10 10 DDCE CO[C@H]1CCn2cc(C(=O)NCc3cc(O)ccc3O)nc2C1 1153885497 PHLHGJDDAMUZDJ-LBPRGKRZSA-N 317.345 1.186 10 10 DDCE C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 1156039989 MMHZQIYLTOIRJR-FQOARCPFSA-N 322.390 1.831 10 10 DDCE O=S(=O)(NCCNCc1cc(Cl)ccc1O)C(F)F 1964611631 IXJUZYFEZZDYQM-UHFFFAOYSA-N 314.741 1.277 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)C(=O)C[C@H]1C[C@H](N)C1 1895031673 LQOXOQOUNQHFEE-SIHWPTBPSA-N 322.405 1.365 10 10 DDCE OCCCOCCNCc1ccc(N2CCOCC2)c(F)c1 1323560942 OLESABSLBGRHBU-UHFFFAOYSA-N 312.385 1.151 10 10 DDCE CCCN(Cc1ccc(N)cc1)S(=O)(=O)CCOCC 63153445 SCILJVYVNHJMKD-UHFFFAOYSA-N 300.424 1.847 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1CC[C@@H]2C[C@H]12 1336191449 SDUVDHLKALQDAP-GZBFAFLISA-N 316.401 1.903 10 10 DDCE CN(C)c1ccc([C@H](NN)c2c(Br)cnn2C)cc1 97796117 TYKXWWSHZJYZBT-LBPRGKRZSA-N 324.226 1.801 10 10 DDCE COC(CNC(=O)c1cc(O)cs1)(OC)c1ccccn1 1528657079 JFPUCPYMCYREGZ-UHFFFAOYSA-N 308.359 1.724 10 10 DDCE C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)Cc1ccc(O)c(O)c1 1467908723 WWJBEEFOZDIZLG-QPUJVOFHSA-N 319.279 1.819 10 10 DDCE CCO[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(O)c2)[C@@H]1SC 1469391834 CIEIWERZUNSSSX-YVLXSGLVSA-N 311.403 1.666 10 10 DDCE Cc1sc(C(N)=O)cc1NC(=O)Cc1ccc(O)c(O)c1 1623040468 UTWMQNQDQJTJPD-UHFFFAOYSA-N 306.343 1.748 10 10 DDCE CC[C@@H](C(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1)N(C)C 1491582938 ISFHAPLFVMFNRB-HOCLYGCPSA-N 321.465 1.938 10 10 DDCE NS(=O)(=O)c1cc(NC(=O)c2cc(O)cs2)ccc1O 1567089475 HYQLJKULFNQVDC-UHFFFAOYSA-N 314.344 1.059 10 10 DDCE [N-]=[N+]=NC1CCN(CCOC2CCS(=O)(=O)CC2)CC1 1912157109 RDEFTUZWBAVVBQ-UHFFFAOYSA-N 302.400 1.355 10 10 DDCE CC(=O)Nc1cnccc1C(=O)NCc1c(O)cccc1F 1638866919 UAJDEKPOWRSRMI-UHFFFAOYSA-N 303.293 1.815 10 10 DDCE CC[C@@H]1SC(=S)N(CC(=O)NCCc2ccccc2)C1=O 11635666 FSERDDGGSZIBKQ-LBPRGKRZSA-N 322.455 1.984 10 10 DDCE CCSCC[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 160230724 YZRXFVVRVSGOHT-PWSUYJOCSA-N 312.435 1.616 10 10 DDCE C[C@H]1C(=O)NC(=O)CN1c1ccc(/C=C/C(=O)O)cc1Cl 164392229 QOHYCRRDOFOPIO-WGAJWPLOSA-N 308.721 1.289 10 10 DDCE Cc1cnc(NC(=O)c2nnn(-c3ccc(N)cc3)n2)s1 1857878423 BCZIIQNGXIGTRY-UHFFFAOYSA-N 301.335 1.262 10 10 DDCE C[C@H](CS(=O)(=O)N(C)C)NCc1ccc(Cl)cc1O 1967713479 OAYKCWJZOHHVJY-SECBINFHSA-N 306.815 1.415 10 10 DDCE COc1cc(Cl)cc(CNCCNC(=O)N(C)C)c1O 229053884 PKWZILKTVNMPQT-UHFFFAOYSA-N 301.774 1.415 10 10 DDCE CN(C)c1ccc(CN(C)S(=O)(=O)CCCCO)cc1 2143465587 IVIPEVQPKOEXLD-UHFFFAOYSA-N 300.424 1.287 10 10 DDCE CN[C@H](c1ccc(N(C)C)cc1)[C@@H](O)CNC(=O)OC(C)(C)C 1977944973 LBOMUQBKNUEBGS-LSDHHAIUSA-N 323.437 1.899 10 10 DDCE CS(=O)(=O)C1CCC(NCc2cc(F)ccc2O)CC1 2145395498 PKBVIVFUHQTWKF-UHFFFAOYSA-N 301.383 1.977 10 10 DDCE CC(C)(C)OC(=O)N=c1cc(C(=O)N2CC[C@H](N=[N+]=[N-])C2)[nH][nH]1 1985096964 YXXBPHHLRZJCSY-QMMMGPOBSA-N 321.341 1.703 10 10 DDCE O=C1CCC[C@@H](CNCc2ccc(Br)cc2O)N1 2028879348 VQPYPRMEMGINRW-NSHDSACASA-N 313.195 1.913 10 10 DDCE C[C@@H]1CCN(c2ccc(CO)cc2Br)[C@H]1C(N)=O 2029790399 ZEZJOCJPGBDIKJ-PRHODGIISA-N 313.195 1.642 10 10 DDCE [N-]=[N+]=NCCCN[C@]1(C(N)=O)CCCN(Cc2ccccc2)C1 309583224 PLHIZNBNJFDZQU-MRXNPFEDSA-N 316.409 1.797 10 10 DDCE CNCc1ccc(N2CC(CC(N)=O)C2)c(Br)c1 382286471 SQWZCYJEXDUNJP-UHFFFAOYSA-N 312.211 1.480 10 10 DDCE C[C@@H]([C@@H](C)N(C)[C@H](C)c1c(O)cccc1O)S(C)(=O)=O 2170637666 YEANAHSIELPKGI-MXWKQRLJSA-N 301.408 1.912 10 10 DDCE CCN(c1cc(Cl)c(CN)cc1F)[C@@H]1CCS(=O)(=O)C1 2177383465 NCVALIIVWFZCBD-SNVBAGLBSA-N 320.817 1.951 10 10 DDCE COc1ccc(Br)c(CN[C@@H](C)C(N)=O)c1O 2214882953 OBFNUDQRHLGWMX-LURJTMIESA-N 303.156 1.127 10 10 DDCE COc1cccc(CNCCS(=O)(=O)C(F)(F)F)c1O 2232495741 VYXSWYSVWPOOQZ-UHFFFAOYSA-N 313.297 1.425 10 10 DDCE CS(=O)(=O)C1(C[S@@](=O)CCc2ccc(N)cc2)CC1 2229549289 XESMPMPPIVVLEZ-SFHVURJKSA-N 301.433 1.137 10 10 DDCE CSc1ncc(CNC(=O)C[C@H]2CSCCN2)s1 2256940403 ANNVEFNSGGYRGX-QMMMGPOBSA-N 303.478 1.576 10 10 DDCE CSc1ncc(CN[C@@H]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)s1 2269270614 JHBCPBKWYWEHTQ-ILWJIGKKSA-N 318.489 1.778 10 10 DDCE CCC1(C(=O)O)CN(C(=O)NCc2cnc(SC)s2)C1 2284543473 GAERRAMAUKDQHU-UHFFFAOYSA-N 315.420 1.871 10 10 DDCE CCCCNC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O 2297315908 UHOZUYWHACIMAB-UHFFFAOYSA-N 301.346 1.539 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(OC)cc1O 93417431 BFVSFRHLZBNKEZ-NSHDSACASA-N 301.408 1.656 10 10 DDCE Cc1ccc(CN2CC[C@H]2[C@H](O)CO)c(O)c1Br 2327800173 HEGZQVOVVUGUGB-WDEREUQCSA-N 316.195 1.391 10 10 DDCE CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)c(O)c1 33913020 KZJDMWRCVXKZPY-XYOKQWHBSA-N 317.345 1.330 10 10 DDCE Cc1cc2c(n1-c1ccc(S(N)(=O)=O)cc1)CCC[C@H]2O 41713337 WDZGBSWTEIFJEG-OAHLLOKOSA-N 306.387 1.803 10 10 DDCE C[C@@H](CO)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1 130305826 BWCIYLFDBNKTCG-ZDUSSCGKSA-N 323.462 1.762 10 10 DDCE CCOc1ccccc1N=N[C@@H]1C(=O)N(C(N)=S)N=C1C 252460175 CGUDEHADYKCENA-NSHDSACASA-N 305.363 1.999 10 10 DDCE Cc1nc2n(n1)CCN(Cc1ccc(N3CCOCC3)cc1)C2 370710970 NHSCTZFELJBWQD-UHFFFAOYSA-N 313.405 1.439 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CC1CC1 297932977 UXDVZBZSERHMSX-UHFFFAOYSA-N 317.433 1.970 10 10 DDCE Cc1nn(C)c(C)c1CCNC(=O)/C=C\c1ccc(O)c(O)c1 588404342 LRRWTCPSJHAMDT-ALCCZGGFSA-N 315.373 1.820 10 10 DDCE COC(=O)CCCCNC(=O)NCc1cc(OC)ccc1O 734066896 GISQASYHVJJZTO-UHFFFAOYSA-N 310.350 1.543 10 10 DDCE C/C(=C/C(=O)N[C@H](C)c1ccccc1O)CN1CCOCC1 913763822 SIDQIEJDGXASSM-YBEMTRGBSA-N 304.390 1.848 10 10 DDCE CN(C)c1ccc(/C=C\CN2CC(N3CC[C@@H](O)C3)C2)cc1 843423635 HLZBOAFDFQLREG-DDKKJVIOSA-N 301.434 1.517 10 10 DDCE CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1CO 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1.953 10 10 DDCE C[C@@H]1CCOCCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 1333730352 QSTAWLVGYFADLD-CYBMUJFWSA-N 319.405 1.006 10 10 DDCE O=C(NCc1ccc2cccnc2c1O)C1=C2CCCN=C2NN1 1469250366 RXYPNZXSTCTIQR-UHFFFAOYSA-N 323.356 1.111 10 10 DDCE COc1ccc(CNC(=O)Cc2nc(C3CC3)n[nH]2)c(O)c1 1617762450 IMPHSQPBVVWAIU-UHFFFAOYSA-N 302.334 1.255 10 10 DDCE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1618639226 PVDNEBXJWAJDQR-JTQLQIEISA-N 317.389 1.738 10 10 DDCE CCCC[C@H](CNCc1ccc(OC)c(C)c1)NC(=O)C(N)=O 1700520733 PIIQELHIEIMLJB-CQSZACIVSA-N 321.421 1.254 10 10 DDCE C[C@H](CC(N)=O)C(=O)NCc1ccc(N2CCSCC2)cc1 1543097175 SZIIPEGVGMVSDL-GFCCVEGCSA-N 321.446 1.368 10 10 DDCE CNc1c(C(=O)NCc2cc(O)ccc2O)cccc1[N+](=O)[O-] 1633599206 RYIZXPHFHHDCEZ-UHFFFAOYSA-N 317.301 1.978 10 10 DDCE COc1ncc(S(=O)(=O)N2CCC(N=[N+]=[N-])CC2)s1 1912166224 UKHWBEUMBYHTPE-UHFFFAOYSA-N 303.369 1.615 10 10 DDCE CNC(=O)N[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 1658176435 HUYGSGQKUNUBKZ-LBPRGKRZSA-N 309.341 1.237 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCCCNC(=O)C2CC2)cc1 1742698825 JWGJDNPZFKVKMZ-UHFFFAOYSA-N 317.349 1.495 10 10 DDCE CC(=O)N(CC(=O)NCc1c(O)cccc1O)c1ccccc1 1597574838 UHYVEVKPNAMZHN-UHFFFAOYSA-N 314.341 1.767 10 10 DDCE CC(C)[C@@H](O)CNC(=O)NCc1ccc(N2CCOCC2)cc1 154017244 IIUYOJOQCIOEJP-INIZCTEOSA-N 321.421 1.339 10 10 DDCE NC[C@@H]1COCCN1Cc1ccc(Br)cc1O 1947625486 AITVBMJHHXCCSR-LLVKDONJSA-N 301.184 1.314 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H](NC(=O)Nc2ccc(N)cc2)CO1 1977697076 SIGPLNALYGNQKJ-LBPRGKRZSA-N 322.365 1.941 10 10 DDCE C[C@@]12CSC[C@H]1CN(S(=O)(=O)Cc1ccc(N)cc1)C2 2144751776 GXDXEIRUUJPBIX-TZMCWYRMSA-N 312.460 1.784 10 10 DDCE NCc1ccc(N2CCOC[C@@H]2CCO)cc1Br 694917927 AZXUAGHKTHYNTC-LBPRGKRZSA-N 315.211 1.495 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3C[C@H](C)O[C@@H](C4CC4)C3)c2n1 2064246923 YOAKYJLQHJOVEB-GXFFZTMASA-N 316.361 1.383 10 10 DDCE COc1ccc(O)c([C@@H](C)n2ncc(S(C)(=O)=O)c2N)c1 2070217255 HSVXBTVYDSLLDD-MRVPVSSYSA-N 311.363 1.192 10 10 DDCE CCN[C@H](c1ccccc1O)[C@](C)(O)CS(=O)(=O)CC 2170492896 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Cc1ccc(CNC(=O)[C@H]2CC[C@@H]2N)c(O)c1Br 2327790663 WFMOGPJBZGBYLX-UWVGGRQHSA-N 313.195 1.817 10 10 DDCE C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CCS1 171697942 XADJNNOVMYDKJF-ZDUSSCGKSA-N 307.463 1.806 10 10 DDCE CSCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CCC[C@@H]1N=[N+]=[N-] 2358570533 NJKNFXWFZMBLAQ-HRDYMLBCSA-N 300.388 1.124 10 10 DDCE COC[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)C[C@H](C)O1 249202245 REWPXNGSRPPYGF-YJBOKZPZSA-N 320.433 1.759 10 10 DDCE CC[S@](=O)CCNC(=O)NCc1ccc2c(c1)CCCN2C 735111363 QQRHBEIXKZAOGW-QFIPXVFZSA-N 323.462 1.637 10 10 DDCE CCO[C@@H]1C[C@@H](NC(=O)c2cc(O)cs2)[C@H]1n1cccn1 832932803 ABGDMJYRBQACIN-NQBHXWOUSA-N 307.375 1.799 10 10 DDCE COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](CF)C3=O)C2)cc1 849358519 XMADWINZMWPPPC-AAEUAGOBSA-N 307.325 1.164 10 10 DDCE CC(C)(CNC(=O)c1c(F)ccc(O)c1O)[C@]1(O)CCOC1 844150054 WCQKLRZZZPPRAP-HNNXBMFYSA-N 313.325 1.144 10 10 DDCE COc1cncc(NCc2ccc(N3CCN(C)CC3)cc2)n1 843302960 CJXBPUKZJFPXFA-UHFFFAOYSA-N 313.405 1.849 10 10 DDCE 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CN(C)c1ccc(NC(=O)c2cccc(O)c2O)c(C(N)=O)c1 1596537762 CHVXURGNANOAMV-UHFFFAOYSA-N 315.329 1.515 10 10 DDCE C[C@H](NC(=O)NCc1cc(C(N)=O)no1)c1ccccc1O 1670848854 OEHIIYNKTINSNN-QMMMGPOBSA-N 304.306 1.040 10 10 DDCE COc1ccc(OC(=O)CCN2C(=O)CSC2=S)cc1 1865774398 GSUPVYYIUOYBGR-UHFFFAOYSA-N 311.384 1.851 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1CCN1 1952355167 QFCUDTWPVALYJM-NWDGAFQWSA-N 308.378 1.896 10 10 DDCE C[C@@H](CO)S(=O)(=O)Nc1cc(Cl)c(O)c(Cl)c1 1996139508 OHQIRHHEQQLUIO-YFKPBYRVSA-N 300.163 1.822 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)C3=CCN(C)CC3)c2n1 2062569772 XWHUMXGQNBZZLP-NSHDSACASA-N 315.377 1.124 10 10 DDCE O=C(NCc1c(O)cc(O)cc1O)[C@@H]1CCC[C@@H]2CCCN12 2065069073 DUAXTGYEIUWNEB-MFKMUULPSA-N 306.362 1.437 10 10 DDCE COc1ccc(Br)c(CN2CCOCC2)c1O 1231547753 IFJCZBFECCDVOZ-UHFFFAOYSA-N 302.168 1.996 10 10 DDCE CCCS(=O)(=O)C[C@@H](C)NCc1cc(OC)ccc1O 2170592831 YBKJBFRRBPFWRV-LLVKDONJSA-N 301.408 1.704 10 10 DDCE C[C@H](N)c1ccc(N2C[C@@H](O)C[C@@H](O)C2)c(Br)c1 2043128419 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NC(=O)N=Nc1ccc(C(=O)NC2(CO)CCSCC2)cc1 1556982321 GVRVALBARMPEPU-UHFFFAOYSA-N 322.390 1.837 10 10 DDCE O=C(NCc1cccc(Cl)c1O)c1ccc2nn[nH]c2n1 1640405435 UMPARMWXMQIIIE-UHFFFAOYSA-N 303.709 1.642 10 10 DDCE CN(C)c1ccc(CNC(=O)[C@H](c2cncn2C)N(C)C)cc1 1587317435 ZXRZTIFDBVNVGO-INIZCTEOSA-N 315.421 1.405 10 10 DDCE CC(=O)Nc1cccc(CC(=O)NCc2ccc(O)c(O)c2)c1 1595595309 BHKZMZLZLCUZJN-UHFFFAOYSA-N 314.341 1.915 10 10 DDCE CC(=O)N[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1758619741 OELZZDZRPOIGEO-ZDUSSCGKSA-N 317.349 1.494 10 10 DDCE COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(=O)C(C)C)c1 155941215 OBRNKEKCQKFPOG-AWEZNQCLSA-N 320.389 1.664 10 10 DDCE CN[C@H](C)c1ccc(N(C)[C@H]2CCS(=O)(=O)C2)c(F)c1 252372401 JCEYWNYGHLKATB-PWSUYJOCSA-N 300.399 1.729 10 10 DDCE Oc1c(Br)cc(Cl)cc1CNCc1nn[nH]n1 708056046 ITHIZTGJCVGMNR-UHFFFAOYSA-N 318.562 1.611 10 10 DDCE C[C@H](O)c1ccc(N2C[C@@H](O)C[C@H](O)C2)c(Br)c1 2043184275 JNXYGCFVNVFOAP-LSJOCFKGSA-N 316.195 1.434 10 10 DDCE CSc1ncc(CNC[C@@H]2CCC[C@@H](C(=O)O)O2)s1 2269123538 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10 10 DDCE COC(=O)c1ccc(O)c([C@@H](C)NC[C@H](O)C(F)(F)F)c1 273433968 WOGDIDSLKMMNGS-HQJQHLMTSA-N 307.268 1.753 10 10 DDCE Cn1ncc2c(N)nc(NCCc3ccc(O)c(O)c3)nc21 811811545 XYBGSODXKUCAFZ-UHFFFAOYSA-N 300.322 1.011 10 10 DDCE C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)CCN1CCO 816574571 MKQOIRAJAPYGED-SNVBAGLBSA-N 302.777 1.683 10 10 DDCE O=C1CN(Cc2ccccc2O)C(=O)N1CC[C@H]1CCCO1 819166385 VWRRQMJBRPUDNE-CYBMUJFWSA-N 304.346 1.726 10 10 DDCE COc1ccc(O)c(CNC(=O)c2cn(CC3CC3)nn2)c1 825841106 ZOFINHSWGHUJHO-UHFFFAOYSA-N 302.334 1.332 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)CCc1cnn(C)n1 825873457 KFLHUXQYQFQUPT-UHFFFAOYSA-N 301.394 1.439 10 10 DDCE CCNC(=O)C(C)(C)CNC(=O)/C=C\c1ccc(O)c(O)c1 588407289 JZVOCBNQJRWKLA-VURMDHGXSA-N 306.362 1.390 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2CCNC[C@@](C)(F)C2)cc1 844226021 YSTOCSWBUJNWPN-QGZVFWFLSA-N 322.428 1.002 10 10 DDCE CN(C)c1ccc(CNS(=O)(=O)[C@@H]2COC(C)(C)C2)cc1 858883923 ZCLMQXFGENWTEW-AWEZNQCLSA-N 312.435 1.740 10 10 DDCE CCc1cc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n[nH]1 855230930 GOQFAEDWFYJNKG-ZDUSSCGKSA-N 314.389 1.989 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cn3cncc3C)C2)cc1 862158245 FITUQMOGWTXSFR-AWEZNQCLSA-N 314.389 1.595 10 10 DDCE O[C@@H](CCNCc1ccc(N2CCOCC2)c(F)c1)C(F)F 865688587 HHIJSXMAPAPSEQ-AWEZNQCLSA-N 318.339 1.768 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2C[C@H]3C(=O)OC[C@H]3C2)c1O 860160580 XLKUIQDEVOSSPE-ZWNOBZJWSA-N 309.749 1.853 10 10 DDCE CN1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CCC1(C)C 868297150 GLAKONGDNRVBBJ-UHFFFAOYSA-N 304.394 1.150 10 10 DDCE COC[C@@](C)(CO)NCc1cc(Br)cc(C)c1O 777483434 PFRQNMGKTDWNKS-CYBMUJFWSA-N 318.211 1.950 10 10 DDCE C[C@@H]1CO[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 888289584 FTXCBHJRRBCZMG-LRDDRELGSA-N 322.380 1.704 10 10 DDCE C[C@H](NC(=O)N1CC(=O)N(C)[C@@H](C)C1)c1ccc(N(C)C)cc1 799974820 FSFHKNQYNHTIRU-STQMWFEESA-N 318.421 1.686 10 10 DDCE COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)C[C@@H]1C 1149104458 FTMVTCRLULULKB-CMPLNLGQSA-N 307.346 1.298 10 10 DDCE Cc1cccc(-n2cc(C(=O)NCc3c(O)cccc3O)nn2)c1 1156881204 UOYLEPBZCMITNJ-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE CCOC(=O)N1CCC[C@H](C(=O)NCc2c(O)cccc2O)C1 1156881334 YYCLEPIKJQQUPU-NSHDSACASA-N 322.361 1.583 10 10 DDCE Cc1cc(=O)c(C(=O)NCc2cc(O)ccc2O)cn1C1CC1 1303225386 HAFCKCVSKLDTIO-UHFFFAOYSA-N 314.341 1.833 10 10 DDCE O=C(NCc1c(O)cccc1F)[C@@H]1COc2ccccc2O1 1178409310 DCDNJJSBWUXMSJ-HNNXBMFYSA-N 303.289 1.988 10 10 DDCE COc1ccc(CN[C@H]2CCN(C(=O)CCN(C)C)C2)cc1C 1265928581 ILCISMPPWJUZGZ-INIZCTEOSA-N 319.449 1.646 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)c2cc(C)[nH]n2)cc1C 1268638707 BNGXBRWOXDTCAM-CYBMUJFWSA-N 316.405 1.943 10 10 DDCE CO[C@@]1(C)CCCN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1351924060 YXIAHCBBYIHBBG-KRWDZBQOSA-N 318.373 1.262 10 10 DDCE Nc1ncnc2cc(C(=O)NCCc3ccc(O)c(O)c3)ccc12 1445937042 ISBRLEHDZBJFLQ-UHFFFAOYSA-N 324.340 1.596 10 10 DDCE C[C@@](O)(Cc1ccccc1)C(=O)NCc1ccc(O)cc1O 1451773861 ZPFYUJOEOKQOEJ-QGZVFWFLSA-N 301.342 1.708 10 10 DDCE CC(=O)c1cc(F)cc(CN2CC[C@]3(CCOC3=O)C2)c1O 1460975468 PBTRPBMLQQEIME-INIZCTEOSA-N 307.321 1.873 10 10 DDCE Cc1ncncc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O 1472629813 VXCINAVXVOFGAY-UHFFFAOYSA-N 322.346 1.114 10 10 DDCE CCn1cnnc1CNC(=O)c1cc2cc(O)c(O)cc2s1 1542590484 IYSAGEOCPJZNGE-UHFFFAOYSA-N 318.358 1.854 10 10 DDCE CCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 1486625357 IAKOXGKTMSPWBB-NXEZZACHSA-N 319.365 1.882 10 10 DDCE COC(=O)[C@H](NCCN=[N+]=[N-])c1ccsc1S(C)(=O)=O 1912147476 JIUXARLAKHSAFR-MRVPVSSYSA-N 318.380 1.266 10 10 DDCE COCCOc1cncc(C(=O)NCc2cc(O)ccc2O)c1 1633599386 ZFKMDFPLCOONKM-UHFFFAOYSA-N 318.329 1.448 10 10 DDCE CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)Cc2ccc(O)c(O)c2)[C@H]31 1568816658 GSLZMTVVCMNYAP-NDQFFAJQSA-N 303.358 1.522 10 10 DDCE COC[C@@H](C)C(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1732948584 QSRGRBNYDQDBNY-ZIAGYGMSSA-N 308.422 1.880 10 10 DDCE Cc1ccc(O)c(CNC(=O)NCc2nc3ncccn3n2)c1 1686824840 IGALPZJWFYEBJL-UHFFFAOYSA-N 312.333 1.138 10 10 DDCE CC(C)(C)OC(=O)NC1(CNCc2ccc(O)c(O)c2O)CC1 1935863087 DLGRCZDVKLFPFE-UHFFFAOYSA-N 324.377 1.950 10 10 DDCE CON(C)C1CN(c2ccc(CO)c(Br)c2)C1 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CCOC(=O)c1cnn2c(O)cc(CN(C)CC3CCC3)nc12 111297869 TVCYHMAUPBKRKJ-UHFFFAOYSA-N 318.377 1.844 10 10 DDCE O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCC[C@@H]1O 172631810 BHPIJYOVEJSFOV-HOTGVXAUSA-N 301.390 1.775 10 10 DDCE O=C(N[C@H](Cc1ccc(O)c(O)c1)C(=O)O)[C@@H]1CCCS1 70435978 YWFWPWCCKIGTPM-SKDRFNHKSA-N 311.359 1.105 10 10 DDCE COC(=O)/C=C1\SC(Cc2ccc([N+](=O)[O-])cc2)=NC1=O 35202319 YNDMSNJKGPBAIM-YFHOEESVSA-N 306.299 1.866 10 10 DDCE COc1cc2c(cc1OC)N([C@@H]1CCS(=O)(=O)C1)CCN2 213730152 JBVGKDAWHCBJFR-SNVBAGLBSA-N 312.391 1.123 10 10 DDCE CN(Cc1ccccc1O)S(=O)(=O)c1cccc(F)c1N 70445930 KLPIPEPSEKAGPO-UHFFFAOYSA-N 310.350 1.934 10 10 DDCE C[C@@H](NC[C@@H]1CCCS1(=O)=O)c1ccc(F)c(F)c1O 187797123 OZPKBFDIQCNPCE-BDAKNGLRSA-N 305.346 1.898 10 10 DDCE COCC(=O)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 193407519 HDSBGRXHDNTYJS-UHFFFAOYSA-N 304.390 1.172 10 10 DDCE O=C([C@@H]1CCCO1)N1CCc2cc(N3CCOCC3)ccc21 41121911 GUVOBYRECULRKE-INIZCTEOSA-N 302.374 1.591 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@H](O)C2)cc1Br 235224046 VAKBHHBHRUXHAW-HFKOZYHYSA-N 301.184 1.011 10 10 DDCE CO[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)[C@H]1CCOC1 611658194 RWMFLZUXXAAIMU-LRDDRELGSA-N 320.389 1.530 10 10 DDCE CCOC(=O)[C@@H]1CC[C@H](NCc2cc3c(cc2O)OCO3)C1 280799806 SEPWFCIXTBMHRG-PWSUYJOCSA-N 307.346 1.942 10 10 DDCE CCN1CC[C@H](NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1=O 801764597 ZSQFIUMVIAUBKI-WFASDCNBSA-N 318.421 1.734 10 10 DDCE COC[C@@H](O)[C@H](N)c1cc(Cl)cc(Br)c1O 713839749 SBAIUORWYADWSX-RKDXNWHRSA-N 310.575 1.815 10 10 DDCE CO[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)[C@H]1CCOC1 821843973 XQISCBDCWKASLP-DOTOQJQBSA-N 318.417 1.955 10 10 DDCE COC[C@]1(C(=O)OC)CCCN1Cc1cc2c(cc1O)OCO2 827488797 LIHUKCHDCHBOBM-INIZCTEOSA-N 323.345 1.275 10 10 DDCE Cc1cc(CCNC(=O)NCc2ccc(N(C)C)cc2)nn1C 913926687 JYIGJVSRFUHDGB-UHFFFAOYSA-N 315.421 1.836 10 10 DDCE NC/C=C/CNC(=O)NCc1ccc(N2CCSCC2)cc1 841709662 JZPJRLVSJGFDIM-OWOJBTEDSA-N 320.462 1.554 10 10 DDCE Cn1cc(C(C)(C)C(=O)NCCc2ccc(O)c(O)c2)cn1 752595947 IUSWHNJGUJXKMC-UHFFFAOYSA-N 303.362 1.468 10 10 DDCE C[C@H](NC[C@@H]1CCC(=O)N1)c1ccc(N2CCOCC2)c(F)c1 850545305 APBAGKZPYUBSRX-JSGCOSHPSA-N 321.396 1.592 10 10 DDCE CN(C)c1ccc(CNC[C@@]23COCCN2C(=O)OC3)cc1 865768100 WKBCGFLSMOUVTC-INIZCTEOSA-N 305.378 1.063 10 10 DDCE COc1cccc(CNS(=O)(=O)CC2(OC)CCC2)c1O 866840953 QFESKVIARFOAKN-UHFFFAOYSA-N 315.391 1.389 10 10 DDCE O=C(NCCS(=O)(=O)C(F)(F)F)c1cc(O)cs1 898683681 DNTIQCMERFGCHH-UHFFFAOYSA-N 303.283 1.118 10 10 DDCE Cc1cc(Br)c(O)c(CN(C)CC(=O)N(C)C)c1 781895744 XGYHWCQTALRKTM-UHFFFAOYSA-N 315.211 1.983 10 10 DDCE CCOC(=O)[C@@H](C)NC(=O)c1cc2cc(O)c(O)cc2s1 895842020 COWCOKRUCBMIHE-SSDOTTSWSA-N 309.343 1.994 10 10 DDCE CCO[C@@H]1COC[C@H]1NC(=O)c1cc2cc(O)c(O)cc2s1 897930403 AJZBSKWPGOFENW-BXKDBHETSA-N 323.370 1.846 10 10 DDCE CCOc1ccc(O)c(CN[C@H](C(=O)OC)c2ccn(C)n2)c1 787438658 SQWNRSSGYBILQG-HNNXBMFYSA-N 319.361 1.528 10 10 DDCE COC(=O)[C@H](NCc1cc(C)c(C)cc1O)c1ccn(C)n1 787438316 NLPRLHLFMCNLIW-OAHLLOKOSA-N 303.362 1.746 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2C[C@H]3CC[C@H]2[C@H](CO)C3)c1O 895924397 RBINQQWKHRWGJV-DRZSPHRISA-N 322.361 1.902 10 10 DDCE C[C@@H]1CN(Cc2cc(F)cc(F)c2O)[C@H](C)CN1CCO 895026675 YSSZSRVYRZWESR-GHMZBOCLSA-N 300.349 1.557 10 10 DDCE C[C@@H](NC(=O)[C@H]1CCc2nnc(O)n2C1)c1ccccc1O 1302532987 XSRJUAROSDGNET-ZJUUUORDSA-N 302.334 1.129 10 10 DDCE O=C(O)[C@@H]1CCN1Cc1cc(Br)cc(F)c1O 1963597495 ONBQRBNGHQGYEI-VIFPVBQESA-N 304.115 1.953 10 10 DDCE COc1cccc(OCC(=O)NCc2c(O)cccc2O)c1 1178911851 QCGRAFYJHJKWQC-UHFFFAOYSA-N 303.314 1.802 10 10 DDCE CCOCc1cc(CN[C@H](C(=O)O)[C@@H]2CCCO2)ccc1OC 1329686352 SWLHCWVBIUUIDD-HOTGVXAUSA-N 323.389 1.954 10 10 DDCE CN(C[C@H]1CCCS1(=O)=O)c1ccc(CN)c(F)c1F 694093663 GIEMIKUDEDQFNQ-SNVBAGLBSA-N 304.362 1.437 10 10 DDCE COCC[C@H]1COCCN1C(=O)c1ccc(N=NC(N)=O)cc1 1624903155 VOWZQZJABJBNGP-ZDUSSCGKSA-N 320.349 1.727 10 10 DDCE Cn1cc(-c2nn(C)cc2NC(=O)c2cc(O)cs2)cn1 1556495740 OZDMQAXXDQTBPC-UHFFFAOYSA-N 303.347 1.840 10 10 DDCE COc1ccc(CNC/C=C/CNC(=O)[C@H](C)OC)cc1C 1699236520 KZWJUMPNTOYTIE-GJBLVYBDSA-N 306.406 1.801 10 10 DDCE CN(C)CCN1C(=O)CCc2cc(N(C)CC(=O)O)ccc21 259476888 OHGCAPGWFTTYDW-UHFFFAOYSA-N 305.378 1.048 10 10 DDCE O=C1C(Cl)=C(Cl)C(=O)N1CCc1ccc(O)c(O)c1 2139063906 YENYYMYXDABTES-UHFFFAOYSA-N 302.113 1.698 10 10 DDCE C[C@@H](c1cc(F)ccc1O)N(C)CCN(C)S(C)(=O)=O 2146943235 JLSNHQHDXYDAKO-JTQLQIEISA-N 304.387 1.416 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H]2CCCSC2)cc1 384134627 MBNNUOXPZPRFQE-GFCCVEGCSA-N 300.449 1.831 10 10 DDCE Cn1cc(Br)c(CNCc2ccc(O)cc2O)n1 393322275 NTLFPYCLVJIQGH-UHFFFAOYSA-N 312.167 1.884 10 10 DDCE NCc1cc(F)c(N2CC[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl 2177386076 VPXTVNKXRWBURB-AMIZOPFISA-N 318.801 1.561 10 10 DDCE CNCc1ccc(N2C[C@@H](O)C[C@@H](O)C2)cc1Br 2043132191 AKBZJYNXAAVGOQ-TXEJJXNPSA-N 315.211 1.100 10 10 DDCE Nc1cccc(Br)c1N[C@H]1CCn2nnnc2C1 2055724154 WDXCVDCEAQHADX-ZETCQYMHSA-N 309.171 1.445 10 10 DDCE CN1CC[C@H](NCc2c(O)cccc2Br)CC1=O 2068228122 VMRSQRXULVPKFY-VIFPVBQESA-N 313.195 1.865 10 10 DDCE NCc1ccc(N2C[C@@H](O)C[C@@H](F)C2)c(Br)c1 2213888159 RBZDHRCKKXUMDV-ZJUUUORDSA-N 303.175 1.817 10 10 DDCE CSc1ncc(CNC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)s1 2269094960 VJCWKYDKNUNCJC-JGVFFNPUSA-N 300.405 1.838 10 10 DDCE C[C@H]1CN(C(=O)C=Cc2ccc(O)c(O)c2)CCN1C[C@@H](C)O 2307987808 MLKONWFVADXDAF-QWHCGFSZSA-N 320.389 1.025 10 10 DDCE Cc1ccc(CN[C@H](C)c2nn[nH]n2)c(O)c1Br 2327621062 JKVMTFBRPQHYSA-SSDOTTSWSA-N 312.171 1.827 10 10 DDCE Cn1cc(Br)nc1[C@H](O)[C@H](N)c1ccccc1O 2328463108 WCHBZRDQKFHIHK-GHMZBOCLSA-N 312.167 1.622 10 10 DDCE CCc1nnsc1CNS(=O)(=O)Cc1ccc(N)cc1 2361144887 QLCSKFXTMCYXDL-UHFFFAOYSA-N 312.420 1.302 10 10 DDCE CCN1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 301608453 ORRRAIDOSUTZEE-UHFFFAOYSA-N 306.322 1.068 10 10 DDCE CCCN(CCC)S(=O)(=O)NCCOc1ccc(N)cc1 63130575 DSNQGBVBWIIAJB-UHFFFAOYSA-N 315.439 1.604 10 10 DDCE Oc1cc2c(cc1CN1CCC[C@H]1Cn1ccnc1)OCO2 188410505 UVIPSDLFFWUDLQ-ZDUSSCGKSA-N 301.346 1.982 10 10 DDCE CCc1n[nH]c([C@H]2CN(Cc3cc(F)ccc3O)CCO2)n1 183262049 AYVJERIYLDGUGT-CYBMUJFWSA-N 306.341 1.785 10 10 DDCE CC(C)C[C@H](CNC(=O)c1cccc(O)c1O)N1CCOCC1 186851156 HHQJIIFMMBACOZ-CYBMUJFWSA-N 322.405 1.575 10 10 DDCE C[C@H]1OCC[C@@H]1S(=O)(=O)NCc1ccc(N(C)C)c(F)c1 135553543 NNLVFQSLVFBOJF-YGRLFVJLSA-N 316.398 1.489 10 10 DDCE COc1cc([C@@H]2N[C@H](C(=O)O)CS2)c(O)c([N+](=O)[O-])c1 83242829 AQQJOILINJJUIX-OIBJUYFYSA-N 300.292 1.097 10 10 DDCE O=C1c2ccccc2C(=O)c2c1cccc2C(=O)N1CC[C@@H](O)C1 132683396 GTZDNWGMPWZKBF-LLVKDONJSA-N 321.332 1.669 10 10 DDCE COC(C)(C)CCS(=O)(=O)N(C)Cc1ccccc1O 195380512 RPGNBGMVDBINHM-UHFFFAOYSA-N 301.408 1.969 10 10 DDCE CN1CCN(c2cc(C(=O)Nc3ccc(N)cc3)ccn2)CC1 237237918 PNYQFUOTXZWFSY-UHFFFAOYSA-N 311.389 1.668 10 10 DDCE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1ccccc1O 264507804 YYTJNYJAQPFVAI-AAEUAGOBSA-N 322.430 1.956 10 10 DDCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)NCc5ccc(O)c(O)c5)[C@@H]4[C@H]3[C@@H]12 800518371 ADQNXCIPWPQEMN-YUOZPOLQSA-N 311.337 1.041 10 10 DDCE CNC(=O)[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 817414491 GJNKFYDZHZKXFC-CQSZACIVSA-N 321.396 1.230 10 10 DDCE CC(C)(O)[C@H](O)C(=O)NCc1ccc(N2CCCCC2)cc1 900405733 ZVLMSNDWQFOHLS-OAHLLOKOSA-N 306.406 1.425 10 10 DDCE CN(C)c1ccc(/C=C/CN[C@H](CO)c2cnn(C)c2)cc1 835040458 CROWILYECIWNEU-LAQIPUCWSA-N 300.406 1.823 10 10 DDCE CN(C)c1ccc(/C=C/CN2CCN3C(=O)NC(=O)[C@H]3C2)cc1 835045790 ZDTJXYPPWILUJH-NHZBNJEXSA-N 314.389 1.002 10 10 DDCE C[C@@H](N)[C@@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 841852078 CLOTXMPTVZEHNS-NXEZZACHSA-N 304.419 1.782 10 10 DDCE Cn1c(NC(=O)/C=C\c2ccc(O)c(O)c2)nnc1C1CC1 855250814 BGAYBDYEZWULRO-CLTKARDFSA-N 300.318 1.756 10 10 DDCE O[C@@H]1C[C@H](NCc2ccc(N3CCOCC3)cc2)C12CCC2 850388386 MCYOEKFANCGGDU-DLBZAZTESA-N 302.418 1.916 10 10 DDCE Cn1c(NCc2ccc(N3CC=CC3)cc2)cc(=O)n(C)c1=O 853365684 XLNSTRYFXGXCEC-UHFFFAOYSA-N 312.373 1.072 10 10 DDCE COc1ccc(N2CCN(C[C@H]3CC4(CC4)C(=O)O3)CC2)cc1 763650415 GEOLXRVDFVXQMP-MRXNPFEDSA-N 316.401 1.913 10 10 DDCE CCC(=O)N1CC[C@H](NC(=O)N[C@@H](C)c2ccccc2O)C1 868408037 INOSWVCHPHURIP-RYUDHWBXSA-N 305.378 1.763 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(OCCCO)CC1 779529848 VXJHFOJVBAATLH-HYXAFXHYSA-N 321.373 1.501 10 10 DDCE COC1(C)CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 774698830 UVOLZYBCRKISOK-UHFFFAOYSA-N 321.333 1.931 10 10 DDCE CO[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1O 897914666 OSERILPVFDSAPQ-GHMZBOCLSA-N 309.343 1.144 10 10 DDCE O=C(COC(=O)c1cn2ccnc2s1)c1ccc(O)c(O)c1 784877315 JRWZYSUFTQKTGH-UHFFFAOYSA-N 318.310 1.847 10 10 DDCE COc1cc(C)cc(CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c1O 895417909 INAFFNFYRHUFGN-IAGOWNOFSA-N 318.373 1.194 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CCCn3nncc3C2)cc1 1303719455 IFFXEBXMIIKVGF-UHFFFAOYSA-N 313.321 1.487 10 10 DDCE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)NCCCN=[N+]=[N-] 1885562556 HNDPJGCPWNRUJP-DTWKUNHWSA-N 301.347 1.077 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cc2n(n1)CCC[C@@H]2O 1178416449 HTLHLVJSYUYJQT-AWEZNQCLSA-N 305.309 1.485 10 10 DDCE COc1cc(NS(=O)(=O)c2cccc(C(N)=O)c2)ccc1O 1322526445 KLHOSOQKTNFBQI-UHFFFAOYSA-N 322.342 1.301 10 10 DDCE CN(C)C[C@@H](O)CNCc1cccc(Br)c1O 717344389 WTAIQJJKMJCQJV-JTQLQIEISA-N 303.200 1.167 10 10 DDCE COC(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)cn1 1610982491 ZDKCYOYUFASSFC-UHFFFAOYSA-N 320.276 1.349 10 10 DDCE CCOc1cc(CNCC(=O)O)ccc1N1CCCNCC1 212030609 REPUMGHAHHMXLS-UHFFFAOYSA-N 307.394 1.059 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NCc1nnc(O)n1C1CC1 1627942236 ZXSGTCWUTKPJDU-KXFIGUGUSA-N 316.317 1.059 10 10 DDCE Cc1cn2cc(CC(=O)NCc3ccc(O)c(O)c3)nc2s1 1622664263 NODIKBLYCSSTKO-UHFFFAOYSA-N 317.370 1.974 10 10 DDCE COC(=O)c1ccc(CC(=O)NCc2ccc(O)cc2O)cn1 1638355938 CJGBQSIRDMFUOJ-UHFFFAOYSA-N 316.313 1.138 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2cncnc2)cc1C 1569053829 QFOGGVXOPODRLW-ZDUSSCGKSA-N 314.389 1.702 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCC[C@@H]2CNC(=O)C2)cc1 1644992753 RDKLYBPFABKSPM-VIFPVBQESA-N 303.322 1.105 10 10 DDCE CSc1nc(O)nc(C)c1C(=O)NCc1c(O)cccc1O 1645361067 VOCMJGSVQPWFAJ-UHFFFAOYSA-N 321.358 1.554 10 10 DDCE O=C(NCCc1nnc2n1CCCC2)c1c(F)ccc(O)c1O 1650905111 ZKRJUMGCVYHYRH-UHFFFAOYSA-N 320.324 1.137 10 10 DDCE Cc1cc(CCNC(=O)C2(O)COC2)c(C)n1-c1ccccc1 1586622327 QIIPIDYMHFDBQE-UHFFFAOYSA-N 314.385 1.514 10 10 DDCE O=C(NCc1cc(O)ccc1O)[C@@H]1CC(c2ccccc2)=NO1 1593872770 DOHSXXALNPXFFS-INIZCTEOSA-N 312.325 1.907 10 10 DDCE C[C@@H](N)c1ccc(N2CC(C)(C(N)=O)C2)cc1Br 1914212037 KYMIFFBNPHDLLE-MRVPVSSYSA-N 312.211 1.780 10 10 DDCE CCCCOC(=O)NCCNC(=O)c1cc(O)c(O)c(O)c1 169911890 NGJYOKDQZMJVIV-UHFFFAOYSA-N 312.322 1.060 10 10 DDCE CCCCN1C(=O)NC(=O)/C(=C/c2ccc(OC)c(O)c2)C1=O 6244329 JEMGCBQFCVKHRW-FLIBITNWSA-N 318.329 1.663 10 10 DDCE CN1CCN(c2ccc(/N=N/N3CCCNCC3)cc2)CC1 1860486145 PEXXQURCNIVEMI-VHEBQXMUSA-N 302.426 1.732 10 10 DDCE CC1(NCc2cccc(Br)c2O)CS(=O)(=O)C1 1918395424 LQNQSWOEQSWONV-UHFFFAOYSA-N 320.208 1.431 10 10 DDCE CN[C@@](CSc1nccs1)(C(N)=O)C1CCOCC1 2143048033 SBXDYGDYIAUWQH-GFCCVEGCSA-N 301.437 1.105 10 10 DDCE Cn1ncc(CNS(=O)(=O)Cc2ccc(N)cc2)c1Cl 2150720979 TUEMVOYJCFTYLD-UHFFFAOYSA-N 314.798 1.275 10 10 DDCE Nc1ccc(CS(=O)(=O)NCC2(Br)CC2)cc1 2002784309 NQVZATHGOHPPDD-UHFFFAOYSA-N 319.224 1.616 10 10 DDCE OCC(CO)CCNCc1cc(Br)ccc1O 2012439604 IOFLMABBJDOTLF-UHFFFAOYSA-N 304.184 1.235 10 10 DDCE Cc1cn2c(n1)CC[C@@H](C(=O)NCc1ccc(O)cc1O)C2 2062977458 SYBWDGOZOJGQSS-GFCCVEGCSA-N 301.346 1.482 10 10 DDCE CCS(=O)(=O)[C@@H]1CCN(c2ccc(CN)c(F)c2F)C1 2179890616 MOWYNAIMNBYTRD-SNVBAGLBSA-N 304.362 1.437 10 10 DDCE CS(=O)(=O)C[C@H]1CCN(c2cc(Cl)c(CN)cc2F)C1 2177389822 HLNGGHPZJNFMDD-VIFPVBQESA-N 320.817 1.809 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCN1C(=O)NC1CCS(=O)(=O)CC1 2197933828 ZXAPHYULAHGYTM-JTQLQIEISA-N 301.372 1.048 10 10 DDCE C[C@H]1C[C@H](NS(=O)(=O)Cc2ccc(N)cc2)CCS1 2087436399 VBMONFZVDLTKRO-GXFFZTMASA-N 300.449 1.972 10 10 DDCE N[C@H]1CC[C@H](CS(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 2087451149 NASAFRCLRNKMMO-IUCAKERBSA-N 304.799 1.915 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@@H]2CC[C@@H](N)C2)s1 2269095156 LVMBQQILHCRBDV-RKDXNWHRSA-N 321.493 1.412 10 10 DDCE O=C1NC(=S)N(C2CC2)C(=O)C1=CNc1ccc(F)cc1 2296154715 XSMLFFOEXGUDSZ-UHFFFAOYSA-N 305.334 1.527 10 10 DDCE Cc1nc(Br)c(C(=O)NCCCN=[N+]=[N-])n1C 2300316642 OJIXZLZIMARPEJ-UHFFFAOYSA-N 301.148 1.921 10 10 DDCE CN(CCCn1ccnc1)C(=O)C=Cc1ccc(O)c(O)c1 2308001897 AXPVUGAQFYZCLX-UHFFFAOYSA-N 301.346 1.856 10 10 DDCE Cc1ccc(CN2CCNC(=O)[C@H]2C)c(O)c1Br 2327603577 RHSAEXDNOSQISI-SECBINFHSA-N 313.195 1.783 10 10 DDCE CO[C@@]1(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C1=O 43152476 LMUQMEDGLAEQEK-HNNXBMFYSA-N 304.254 1.584 10 10 DDCE biogenic [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1cc(C(F)(F)F)ns1 2155002574 JYRAOLHIAZEQPO-SSDOTTSWSA-N 308.289 1.978 10 10 DDCE COc1cccc(CNC(C)(C)CCN2CCN(C)CC2)c1O 185890884 QUZBYLLUGNFKFP-UHFFFAOYSA-N 321.465 1.907 10 10 DDCE C[C@H](N[C@H](C)c1ccc(N2CCC(O)CC2)cc1)C(=O)N(C)C 189010121 VILGWYXBTAWUEQ-KGLIPLIRSA-N 319.449 1.775 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H](O)c2ccccc2)cc1 35599510 VLWDNUYAAHYQCW-HNNXBMFYSA-N 306.387 1.422 10 10 DDCE CNCc1ccc(N(C)Cc2nn(C)nc2Br)cc1 2226993984 ZVIIUGVGDPKRQP-UHFFFAOYSA-N 324.226 1.933 10 10 DDCE CCOCCOCC(=O)NCc1ccc(N2CCCC2)cc1 194233332 CMOGCMXVQGFMBL-UHFFFAOYSA-N 306.406 1.956 10 10 DDCE COc1cc(Cl)c(N2C[C@H](OC)C[C@H]2CO)c(OC)c1 2368109806 CMJDNSSZZYOWTP-GXSJLCMTSA-N 301.770 1.943 10 10 DDCE COCCN(CCO)c1ccc(CN)c(Br)c1 228155633 WEBHOJFRWJTIIJ-UHFFFAOYSA-N 303.200 1.353 10 10 DDCE CN[C@@H](c1ccc2c(c1)CCCN2C)[C@H]1CCS(=O)(=O)C1 227029283 KDKWWHFHKHWVBX-HOCLYGCPSA-N 308.447 1.764 10 10 DDCE O=C1CC[C@H](c2cc(I)ccc2O)N1 238719322 CANSMXKBHZBBOA-MRVPVSSYSA-N 303.099 1.948 10 10 DDCE Cc1c(/C=C\C(=O)N2CC(=O)N(C)c3ccccc32)cnn1C 255093906 GXBCRBCMXLECJO-HJWRWDBZSA-N 310.357 1.751 10 10 DDCE C[C@H](O)CN(C)C(=O)/C=C\c1ccc(N2CCOCC2)cc1 255606856 HKLQCSCRGLOEFH-PODYEWJSSA-N 304.390 1.376 10 10 DDCE COc1ccc(N2CCN(CCc3cncn3C)CC2)cc1 290064584 PNZKQLWVBLSCPS-UHFFFAOYSA-N 300.406 1.793 10 10 DDCE CS[C@H]1C[C@@H](CNS(=O)(=O)Cc2ccc(N)cc2)C1 2134029822 NKVVLMRQVOPING-BJHJDKERSA-N 300.449 1.830 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CC[C@@H]2COC[C@H]2C1 827596517 YTEPEFNATNURSD-IAGOWNOFSA-N 302.418 1.992 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN(C)C2=O)c1 825737245 WSUVDUKSWKFKON-JQWIXIFHSA-N 306.362 1.446 10 10 DDCE CN(C)c1ccc(/C=C\CN2CCN(S(C)(=O)=O)CC2)cc1 835025998 PSSCKJFBBQDDGK-PLNGDYQASA-N 323.462 1.343 10 10 DDCE CC(=O)c1cc(Cl)cc(CN2CCO[C@H]([C@@H](C)O)C2)c1O 839673081 UYYNACYVCQRGOR-YGRLFVJLSA-N 313.781 1.830 10 10 DDCE COc1ccc(O)c(CNS(=O)(=O)Cc2cc(C)on2)c1 739969305 YIMWRGFOZNSPPM-UHFFFAOYSA-N 312.347 1.317 10 10 DDCE CN(C)c1ccc(/C=C\CNCC2(C(N)=O)CCOCC2)cc1 835037142 SKTSLPCBAMPYHR-ARJAWSKDSA-N 317.433 1.638 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CC[C@H]2NCC[C@@H]2C1 843128314 VTRVDQUOWMKQIF-SJLPKXTDSA-N 301.434 1.707 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)C1(C(=O)O)CCOCC1 911118618 PISMKYGGFSJOHT-UHFFFAOYSA-N 320.389 1.592 10 10 DDCE CCN1CCN(CC(=O)NCc2cc(Cl)ccc2O)CC1 846476686 OLPMYJWOEVSIEF-UHFFFAOYSA-N 311.813 1.299 10 10 DDCE O=C(O)CSCCC(=O)NCc1ccc2cccnc2c1O 911700654 OEZHAOVZIWXTPS-UHFFFAOYSA-N 320.370 1.765 10 10 DDCE CN(C)c1ccc(CNC(=O)N(C2CC2)[C@@H]2CCNC2)cc1F 841759812 IJZFQTVKJQAJND-CQSZACIVSA-N 320.412 1.928 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCCSC)C2)cc1 851928565 NFEDSHJDRWOATN-GFCCVEGCSA-N 309.435 1.936 10 10 DDCE CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CCC1=O 898711796 DDHNEGHAVBZLRA-UHFFFAOYSA-N 320.370 1.617 10 10 DDCE Cc1nnc(CNC(=O)c2ccc(N=NC(N)=O)cc2)s1 1138161536 BHZRLWLTHNHWKF-UHFFFAOYSA-N 304.335 1.939 10 10 DDCE OCCSCCNCc1cccc(Br)c1O 1899603598 DHXXPAPAIDXZKO-UHFFFAOYSA-N 306.225 1.970 10 10 DDCE COc1cccc(CNC(=O)c2ccc(CO)c(F)c2)c1O 1150543352 MIZQNHWRFJCHAE-UHFFFAOYSA-N 305.305 1.962 10 10 DDCE C[C@H](NCc1c(O)ccc(Cl)c1F)[C@@H]1CN(C)CCN1C 1474718127 XJKUYKYKADMHSI-GWCFXTLKSA-N 315.820 1.909 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)Cc1ccc(N)cc1 1894541742 BZCYVUBRGSIBQX-TZMCWYRMSA-N 319.405 1.841 10 10 DDCE COc1ccc(O)c(CNCC(C)(C)CS(C)(=O)=O)c1 723878686 FIWORNGBQBQIMU-UHFFFAOYSA-N 301.408 1.561 10 10 DDCE CN1C[C@@H]2CC[C@H](NC(=O)/C=C/c3ccc(O)c(O)c3)[C@H]2C1 1347598498 WAFVRVMSZKZEHD-XHJJXGHWSA-N 302.374 1.567 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccc2nc(CO)[nH]c2c1 1558161300 LCSQFHHLRZXUSY-UHFFFAOYSA-N 313.313 1.396 10 10 DDCE CC(C)OC(=O)NS(=O)(=O)N1CCC(CN=[N+]=[N-])CC1 1912188633 PXRAKPQJUDVUML-UHFFFAOYSA-N 305.360 1.388 10 10 DDCE CN(CCN=[N+]=[N-])S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-] 1912147858 ZTQASNKUHMVXRU-UHFFFAOYSA-N 303.275 1.665 10 10 DDCE O=C(NCc1c(O)cccc1O)C(F)(F)C1(O)CCCC1 1652626135 QKFOPGIYGGWHGD-UHFFFAOYSA-N 301.289 1.654 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)NC2CC(CC(N)=O)C2)c1 1684016755 GYCHDLQRNMJISM-KPPDAEKUSA-N 321.377 1.415 10 10 DDCE CCc1nnc(N(C)Cc2ccccc2O)n1CC(=O)N(C)C 1694636492 BCHVLMJANYOYAP-UHFFFAOYSA-N 317.393 1.271 10 10 DDCE CNCc1cc(F)c(N2C[C@@H](CO)OC(C)(C)C2)c(F)c1 163288160 IMXBYUIMQDBKSG-NSHDSACASA-N 300.349 1.660 10 10 DDCE Oc1c(Cl)cc(Cl)cc1CN1CCNCCNCC1 904398517 RCXOEFRRDITASJ-UHFFFAOYSA-N 304.221 1.694 10 10 DDCE NC(=O)C(F)(F)CNCc1ccc(Br)cc1O 1942151025 YCPRASBJFPVPBC-UHFFFAOYSA-N 309.110 1.365 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccc(N)cc1 1987541755 AOPWSZSODVYJCA-CABCVRRESA-N 321.421 1.729 10 10 DDCE C[C@@H](N)c1ccc(N2CC(O)(CO)C2)c(Br)c1 2004525342 FVQMVSWHDYMXNK-MRVPVSSYSA-N 301.184 1.012 10 10 DDCE CC(C)(NCc1cc(Br)ccc1O)c1nn[nH]n1 2033672644 HQFVTDDQWNQUCZ-UHFFFAOYSA-N 312.171 1.693 10 10 DDCE CO[C@@H]1CN(C)C[C@H]1NCc1cccc(Br)c1O 2034334078 KNLUOXGANDPFDB-VXGBXAGGSA-N 315.211 1.573 10 10 DDCE C[C@@H](N)c1ccc(N2CC(CC(N)=O)C2)c(Br)c1 723173583 LGKFDROXXKSMDI-MRVPVSSYSA-N 312.211 1.780 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@H](O)C34CCCC4)c2n1 2064192661 LFJYZUBVOXAYOZ-LBPRGKRZSA-N 316.361 1.263 10 10 DDCE CC(C)S(=O)(=O)C[C@H](C)N[C@@H](C)c1cc(O)ccc1O 2170586153 RNDRFZDMQCHCAQ-QWRGUYRKSA-N 301.408 1.960 10 10 DDCE C[C@@H](O)[C@@H]1CN(c2ccc(CO)cc2Br)CCO1 2053842573 IPPNEMZPELBVTG-RNCFNFMXSA-N 316.195 1.527 10 10 DDCE N[C@@H]1CC[C@@H](CS(=O)(=O)Nc2ccc(O)c(Cl)c2)C1 2087451150 NASAFRCLRNKMMO-RKDXNWHRSA-N 304.799 1.915 10 10 DDCE C[C@H]1CC[C@@H](COc2nnc(=N)[nH]n2)CN1C(=O)OC(C)(C)C 2210648298 WAUWYKFCQQCMOS-VHSXEESVSA-N 324.385 1.094 10 10 DDCE CC(C)(C)OC(=O)N1CCN(CC2CN(CCN=[N+]=[N-])C2)CC1 2211709329 HPMWXSQUHHNGBR-UHFFFAOYSA-N 324.429 1.781 10 10 DDCE CSc1ncc(CNC(=O)[C@@H](C(N)=S)C2CC2)s1 2257103446 LYRMQTDBQRPWGY-MRVPVSSYSA-N 301.462 1.794 10 10 DDCE COc1ccc(Br)c(CN[C@@H]2COC(=O)C2)c1O 2264192469 ODGCREWNVXUJPA-ZETCQYMHSA-N 316.151 1.568 10 10 DDCE CSc1ncc(CNC(=O)[C@H](C)O[C@H](C)C(=O)O)s1 2269121845 SBVNANMZKXTEOT-NKWVEPMBSA-N 304.393 1.359 10 10 DDCE CSc1ncc(CN2CC(=O)N3CCCC[C@H]3C2=O)s1 2284664543 GEWVIEIIKGBTOP-JTQLQIEISA-N 311.432 1.588 10 10 DDCE Cc1sc(NN(C)S(=O)(=O)C2CCC2)nc1C(=O)O 2339724681 SUOIEXALOANILC-UHFFFAOYSA-N 305.381 1.291 10 10 DDCE CC(=O)N(C(=O)C(=O)N1CCC(C)CC1)c1ccc(N)cc1 170318139 WDDPXPBTAROULR-UHFFFAOYSA-N 303.362 1.407 10 10 DDCE CN1C(=O)Cc2cc(N3CCN(C(=O)C4CCC4)CC3)ccc21 62576049 YKGLMZIYEPYXNC-UHFFFAOYSA-N 313.401 1.654 10 10 DDCE COC[C@H](O)CN(C)c1c(F)cc(CNC2CC2)cc1F 62713330 XDPDXGVXCPRKFP-GFCCVEGCSA-N 300.349 1.660 10 10 DDCE C[C@@H]1OCC[C@H]1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 184300352 NCGUFMDNWVBDIL-SWLSCSKDSA-N 312.435 1.692 10 10 DDCE COc1cccc(S(=O)(=O)NCCc2ccc(N)cc2)c1 124271088 ZEYRKHGNNUZSKJ-UHFFFAOYSA-N 306.387 1.798 10 10 DDCE CC(C)NCc1ccc(N(C)[C@@H]2CCS(=O)(=O)C2)c(F)c1 36870457 VKGMKMFEGDAUDG-CYBMUJFWSA-N 314.426 1.947 10 10 DDCE CC[C@H]1COCCN1S(=O)(=O)CCOc1ccc(N)cc1 70490670 ONNKPQAALSQGQE-ZDUSSCGKSA-N 314.407 1.088 10 10 DDCE CN(C)c1ccc(CNS(=O)(=O)NCC(F)(F)F)cc1 192006661 BASSMZAKIHITLW-UHFFFAOYSA-N 311.329 1.239 10 10 DDCE CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC1CC(O)C1 190116038 JDWVRSISIIUSGO-UHFFFAOYSA-N 319.449 1.414 10 10 DDCE CCNS(=O)(=O)[C@@H]1CCN(Cc2cc3c(cc2O)CCC3)C1 92304551 IHXDDENPEGCBGG-OAHLLOKOSA-N 324.446 1.395 10 10 DDCE CC(=O)C(=O)COC(=O)c1nn(-c2ccc(Cl)cc2)cc1O 808547430 OAUKZLGTHTVHAC-UHFFFAOYSA-N 322.704 1.546 10 10 DDCE CN(C)c1noc(COC(=O)/C=C\c2ccc(O)c(O)c2)n1 801290391 DGPRNQUCPSAYOT-XQRVVYSFSA-N 305.290 1.303 10 10 DDCE CON(C1CCC1)S(=O)(=O)CCOc1ccc(N)cc1 2164743029 BSRHPWGILXGXPZ-UHFFFAOYSA-N 300.380 1.393 10 10 DDCE C[C@H](CS(=O)(=O)C(C)(C)C)NCc1ccc(O)c(O)c1 2170598225 VUQNMIDRCKOUCF-SNVBAGLBSA-N 301.408 1.789 10 10 DDCE CC(=O)C(=O)COC(=O)CCc1ncc(-c2ccccc2)o1 808492721 CHVVHSPZORTCNJ-UHFFFAOYSA-N 301.298 1.976 10 10 DDCE CC[C@@H](O)CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 826970431 LXLUOBCUZZAYQR-CYBMUJFWSA-N 310.369 1.644 10 10 DDCE COc1ccc(O)c(CNC(=O)c2cnc3n2CCOC3)c1 830544248 MWORLQUAYBXELH-UHFFFAOYSA-N 303.318 1.058 10 10 DDCE CCN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C(C)(C)C1=O 588530304 VEDHYRMBCSEUJV-VURMDHGXSA-N 318.373 1.580 10 10 DDCE CN(C)c1ccc(/C=C\CNC[C@@H](O)c2cnn(C)c2)cc1 835042488 IVQACJJPYKROPX-VGOKWCNXSA-N 300.406 1.823 10 10 DDCE O=C1[C@H]2[C@H]3C[C@H]4[C@@H]2[C@@]2(C(=O)NCc5ccc(O)cc5O)[C@@H]4[C@@H]3[C@@H]12 910946105 HNRDPYHVRKBLRL-PHXIEWMQSA-N 311.337 1.041 10 10 DDCE CCN(C)c1ccc([C@H](C)NC[C@H](O)CS(C)(=O)=O)cc1 927032145 PUZBZBDXORNXTD-WFASDCNBSA-N 314.451 1.199 10 10 DDCE CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCc1c(O)cccc1F 921727718 QSRIQHZVGJIHDM-BXKDBHETSA-N 309.341 1.245 10 10 DDCE CCn1cncc1S(=O)(=O)NCc1ccc(N(C)C)cc1C 751245234 BTYIYFOGMWMAFL-UHFFFAOYSA-N 322.434 1.756 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CCCNC3)C2)cc1 851663799 JLKZURTYCYHDRH-ZIAGYGMSSA-N 318.421 1.325 10 10 DDCE Cc1ccccc1-n1c(C)cc(C(=O)NC[C@@H](O)[C@H](C)O)c1C 871123878 XEGJUKQKNYRVMH-WMLDXEAASA-N 316.401 1.874 10 10 DDCE CO[C@@H]1COC[C@H]1NC(=O)NCc1cccc(Cl)c1O 895505316 JQJPXNJEBGBTSD-GHMZBOCLSA-N 300.742 1.259 10 10 DDCE CS(C)(=O)=NCCNC(=O)c1ccc(N=NC(N)=O)cc1 1303893310 SLHAAKYFWBWYFL-UHFFFAOYSA-N 311.367 1.306 10 10 DDCE NC(=O)c1c[nH]c(C(=O)NCc2ccc3cccnc3c2O)c1 1299721347 HQGLNQXNLNDIOW-UHFFFAOYSA-N 310.313 1.297 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)c1 1465992668 KPNDLXCQMAESDH-MXWKQRLJSA-N 306.362 1.480 10 10 DDCE NC(=O)C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccccc1 1468432044 PZOHNFRRKNVVMH-CYBMUJFWSA-N 314.341 1.373 10 10 DDCE COC(=O)c1sccc1C(=O)NCCc1ccc(O)c(O)c1 1465981302 IUXGGSLHBBGGBR-UHFFFAOYSA-N 321.354 1.918 10 10 DDCE CC(C)(C)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(N)=O 1465780160 GZCPUEYSKPLWDT-GFCCVEGCSA-N 322.386 1.942 10 10 DDCE CC(C)c1noc(CCNC(=O)Cc2ccc(O)c(O)c2)n1 1628172261 ZYFDHOHUUCLYJS-UHFFFAOYSA-N 305.334 1.506 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cc2nn[nH]c2cc1F 1558454258 CWNILVOMCFEGPN-UHFFFAOYSA-N 304.256 1.872 10 10 DDCE O=C(COCc1ccnc(O)c1)NCc1c(O)cccc1O 1558536461 YTOZGYZVTOPOBE-UHFFFAOYSA-N 304.302 1.031 10 10 DDCE CC[C@@H](C(=O)NC[C@@H](C)NCc1ccc(OC)c(C)c1)N(C)C 1491582939 ISFHAPLFVMFNRB-ZBFHGGJFSA-N 321.465 1.938 10 10 DDCE CC(=O)c1cn(CC(=O)NCc2cccc(Cl)c2O)nn1 1637227060 LDYCCWRHGDTTHB-UHFFFAOYSA-N 308.725 1.156 10 10 DDCE COC(=O)c1cc(C(=O)NCc2cc(Cl)ccc2O)no1 1632223535 LANWYCHCEPOISE-UHFFFAOYSA-N 310.693 1.750 10 10 DDCE NC(=O)[C@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 1584723067 VFASNXMHHJQNTE-ZKCHVHJHSA-N 306.343 1.306 10 10 DDCE COCCOc1cc(C(=O)NCc2cc(O)ccc2O)ccn1 1651225434 JDFUIYMGRYILHZ-UHFFFAOYSA-N 318.329 1.448 10 10 DDCE C[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)Cc1ccccc1 1596905773 WTWOHCZNPOKJBC-LRDDRELGSA-N 315.369 1.749 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)NCc1nnc(O)n1C 1675468972 FDKPSRJWQOGFSD-UHFFFAOYSA-N 319.365 1.348 10 10 DDCE CN1[C@H](CNCc2c(O)cccc2Cl)CCS1(=O)=O 1965951134 YKWQOHJMAOKMPO-VIFPVBQESA-N 304.799 1.169 10 10 DDCE Oc1cc2c(cc1CN1CCO[C@H](Cn3cccn3)C1)CCC2 152823982 LAPPTCRDTRIOCA-KRWDZBQOSA-N 313.401 1.978 10 10 DDCE CC(=O)CC(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C 1865994624 XXGBVRHKGXZPLW-MRXNPFEDSA-N 314.389 1.671 10 10 DDCE CN(CCNC(=O)OC(C)(C)C)C[C@H](N)c1ccccc1O 1932524645 MLKLXRFMVZGVTO-ZDUSSCGKSA-N 309.410 1.849 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(c2cc(O)nc(O)c2)C[C@@H]1C(=O)O 1952975830 SWQINOXNEWWLBL-CLAHSXSESA-N 310.306 1.317 10 10 DDCE Nc1ccc(CS(=O)(=O)NC[C@H]2CC(F)(F)CO2)cc1 2144787247 IWIKDFXTCSZHAG-LLVKDONJSA-N 306.334 1.112 10 10 DDCE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)N3CC(N=[N+]=[N-])C3)[C@@H]21 1985094529 QCVCIBPWZPBEDV-GARJFASQSA-N 323.353 1.142 10 10 DDCE CN(C)c1ccc(N)c(OCCS(=O)(=O)C(F)(F)F)c1 692874778 HTPQGFXKSLSTLM-UHFFFAOYSA-N 312.313 1.648 10 10 DDCE Oc1c(Br)cccc1CNCCCc1nn[nH]n1 392605000 YSBIYZCOMUJRBT-UHFFFAOYSA-N 312.171 1.390 10 10 DDCE CS(=O)(=O)N1CCC[C@H](CN2CCC[C@H]2CN=[N+]=[N-])C1 2179618966 NMUXEJQXUUPYMD-NEPJUHHUSA-N 301.416 1.433 10 10 DDCE CC[C@]1(C)CN(C(=O)c2cnn3c(O)cc(C)nc23)CCO1 2063339955 KZXVNILZUXIMFK-OAHLLOKOSA-N 304.350 1.384 10 10 DDCE COc1cccc2c1C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C2 2064540054 OJPOZOKMCLGTNJ-CYBMUJFWSA-N 313.353 1.933 10 10 DDCE COc1ccc2c(c1)OCCN2C(=O)c1ccoc1CC(N)=O 2065093351 ONAPIFOXJLBLQJ-UHFFFAOYSA-N 316.313 1.355 10 10 DDCE C[C@@H]1[C@@H](O)CN1c1cc2c(cc1Br)[C@H](O)C(=O)N2 2062248855 ZBSUSZXAIMQZJP-WIHYOSRFSA-N 313.151 1.004 10 10 DDCE CC[C@H]1[C@H](COc2nnc(=N)[nH]n2)CCN1C(=O)OC(C)(C)C 2210644210 BVGUAJIDKGPOBM-UWVGGRQHSA-N 324.385 1.094 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CC[C@H](CN)OC2)s1 2269085106 FJUZQFLSZZDTTK-DTWKUNHWSA-N 301.437 1.235 10 10 DDCE CSc1ncc(CNC(=O)N2CCC[C@@H]2C(=O)O)s1 2269091910 BRVYEXXRMCJKGS-MRVPVSSYSA-N 301.393 1.624 10 10 DDCE CCCCN1C(=O)NC(=O)C(=CNCCCN(CC)CC)C1=O 2296103187 UPYMHRXYJABJRM-UHFFFAOYSA-N 324.425 1.070 10 10 DDCE 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302.777 1.997 10 10 DDCE CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)C1 295238730 ZZGQDDAJEWONRR-BDAKNGLRSA-N 311.309 1.699 10 10 DDCE CO[C@H]1COCC[C@H]1CC(=O)NCc1ccc(N(C)C)cc1 294611045 ZYSMHDJZYILFKQ-HOCLYGCPSA-N 306.406 1.810 10 10 DDCE COCCN1CCN(Cc2cc(Cl)c(F)cc2O)CC1 294339337 AKKFKBDOXGRJSN-UHFFFAOYSA-N 302.777 1.949 10 10 DDCE O=C(NCCCSc1nccs1)NC1COCCOC1 813680570 FETKJIKISFDTCO-UHFFFAOYSA-N 317.436 1.340 10 10 DDCE CCOc1ccc(CN(C)[C@@H]2CCN3CCO[C@H]2C3)c(O)c1 824501337 HXIBQTXDYHQFIA-WBVHZDCISA-N 306.406 1.696 10 10 DDCE Cc1ccc(O)c(CN2CCN([C@@H]3CCNC(=O)CC3)CC2)c1 825148120 QBMCADUCPHWMKM-INIZCTEOSA-N 317.433 1.487 10 10 DDCE CN(C)c1ccc([C@@H](N)CNC(=O)C[C@@H]2CCCC[C@H]2O)cc1 843299225 ULXTVVIFVGDEAW-BHYGNILZSA-N 319.449 1.810 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCNC[C@H]2C(F)F)c1O 843385733 QDLNQZWMMYBHQS-LBPRGKRZSA-N 302.296 1.773 10 10 DDCE COC(=O)[C@](C)(CCF)NC(=O)/C=C/c1ccc(O)c(O)c1 855909478 DJZJWXKMPZTHCE-DRDHIDPGSA-N 311.309 1.519 10 10 DDCE CC[C@@H](COC)NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 852133584 HCPVIYWMVDDFSX-UONOGXRCSA-N 321.421 1.998 10 10 DDCE O[C@@H]1C[C@@H]2C[C@H](C1)CN2Cc1ccc(N2CCOCC2)cc1 931505091 SKHUXAPQKKFKJH-NJAFHUGGSA-N 302.418 1.868 10 10 DDCE CC(C)(O)CN1CC[C@H](NC(=O)/C=C\c2ccc(O)c(O)c2)C1 869779001 OUEJYJGHIMVJRD-AGLBCWCQSA-N 320.389 1.072 10 10 DDCE CCOC(=O)CC[C@@H](C)NC(=O)NCc1cc(OC)ccc1O 760831472 DZIRKKUOTWVTEF-LLVKDONJSA-N 324.377 1.932 10 10 DDCE COC[C@H]1CCCCN1C(=O)C(=O)N1Cc2cccc(O)c2C1 1119020646 XPMNBQSOQDSDQA-CYBMUJFWSA-N 318.373 1.262 10 10 DDCE Cc1ccc(C(=O)N(C)Cc2cnc(N(C)C)nc2)c(O)c1O 781026824 ODCZUQKBDOHNNK-UHFFFAOYSA-N 316.361 1.534 10 10 DDCE C[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C(=O)O1 897764659 MNOBZBGYBWIQBH-SVRRBLITSA-N 307.327 1.746 10 10 DDCE C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[S@@](=O)C1 1138238821 IOGMTRHHWXAGCR-MLMJSJRWSA-N 322.390 1.690 10 10 DDCE COc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cn1 795361813 HHMYVOBNSPYGRA-UHFFFAOYSA-N 310.331 1.605 10 10 DDCE O=C(C[C@@H]1COc2ccccc2O1)NCc1c(O)cccc1O 1304053537 NFKSAYLGANJNNU-LLVKDONJSA-N 315.325 1.944 10 10 DDCE CC(=O)C(=O)[C@]1(O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 1961762570 MWMIQIWBYDQOMZ-RLCCDNCMSA-N 311.378 1.543 10 10 DDCE CN1C[C@H]2CN(c3ccc(CO)c(Br)c3)C[C@H]2C1 705609490 SCCRHKLKQFMIMT-TXEJJXNPSA-N 311.223 1.939 10 10 DDCE C[C@H]1C[C@@H](C)CN(C(=O)C(=O)N2Cc3cccc(O)c3C2)C1 1331929631 QEJOXXDIARDFMF-TXEJJXNPSA-N 302.374 1.739 10 10 DDCE CCN(CC1CCC1)C(=O)C(=O)N1Cc2cccc(O)c2C1 1330419865 XVIOQPFWGGNUSS-UHFFFAOYSA-N 302.374 1.883 10 10 DDCE COc1ccc(CNC[C@H](C)NC(=O)c2cnnn2C)cc1C 1715974994 KLIICSAIQWWKBC-LBPRGKRZSA-N 317.393 1.040 10 10 DDCE COc1nn(C)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 1556437604 IODRWQLZJIQULR-UHFFFAOYSA-N 302.294 1.843 10 10 DDCE CCOC(=O)c1ccc(NC(=O)c2cccc(O)c2O)cn1 1631393480 WHCSDGBYWPUNOD-UHFFFAOYSA-N 302.286 1.922 10 10 DDCE COc1ncc(S(=O)(=O)N2CC[C@@H](CN=[N+]=[N-])C2)s1 1912145509 IBBKOKNTUCOSOO-ZETCQYMHSA-N 303.369 1.473 10 10 DDCE Cc1nc2ccnn2c(C)c1C(=O)NCc1c(O)cccc1O 1652625607 IDIJLOHNNYPWGZ-UHFFFAOYSA-N 312.329 1.687 10 10 DDCE COC[C@@H](C)C(=O)NC[C@H](C)NCc1ccc(OC)c(C)c1 1662180303 RZSHYMVZTMUZKF-KGLIPLIRSA-N 308.422 1.880 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1ccc(Cn2cccn2)o1 1593872680 ANYNCEXXUBXEEE-UHFFFAOYSA-N 313.313 1.866 10 10 DDCE C[C@H](CCO)N(Cc1ccccc1)C(=O)c1cc(O)nc(O)c1 1915112889 DSQMDWUYNNFUTI-GFCCVEGCSA-N 316.357 1.906 10 10 DDCE COc1ccc(CNCCONC(=O)OC(C)(C)C)c(O)c1 1928413778 MUWVSHLDNQIELV-UHFFFAOYSA-N 312.366 1.947 10 10 DDCE CC(C)(C)OC(=O)N[C@]1(c2ccc(O)cc2O)C[C@@H]1C(=O)O 1952766139 WKMVUILCTPJPHH-BMIGLBTASA-N 309.318 1.922 10 10 DDCE C[S@@](=O)CCNCc1cc(O)cc(Br)c1O 309897628 GLXKXBIHFMLGOY-MRXNPFEDSA-N 308.197 1.328 10 10 DDCE CN(c1ccc(CN)c(Br)c1F)[C@@H]1COC[C@H]1O 709374726 NLOXBTLRVKTRPF-NXEZZACHSA-N 319.174 1.243 10 10 DDCE Cn1nnnc1CNCc1cc(Br)cc(F)c1O 715818180 MVMNWYLUMVYPPO-UHFFFAOYSA-N 316.134 1.107 10 10 DDCE CC[C@]12CN3C[C@](CC)(CN(C1)C3c1ccc(O)cc1O)C2O 2059110185 MGGLVAWJUXHLPV-OWCVQMPJSA-N 318.417 1.895 10 10 DDCE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1c(F)cc(CN)cc1F 2170629846 GZFMLHPTSZBDHI-IUCAKERBSA-N 306.378 1.681 10 10 DDCE Oc1ccc([C@H](NCC2OCCO2)c2ccccc2)c(O)c1O 2196083025 WHPBEUPCXQSZHN-OAHLLOKOSA-N 317.341 1.855 10 10 DDCE CSCC[C@@H](N)CCNC(=O)c1cc(O)c(O)c(O)c1 2188923280 LQDOREZZJHDSSB-VIFPVBQESA-N 300.380 1.004 10 10 DDCE NCc1ccc(N2CC(=O)N3CCC[C@H]3C2)c(Br)c1 2102006863 BQSQCXYYBFQDJI-NSHDSACASA-N 324.222 1.719 10 10 DDCE CCCSC1CN(S(=O)(=O)Cc2ccc(N)cc2)C1 2097623801 JXOOZABQVDPZIT-UHFFFAOYSA-N 300.449 1.926 10 10 DDCE COCC[S@](=O)CCN[C@@H](C)c1cc(OC)ccc1O 2207027534 NDHLLEBJAMBMRS-PRWKNARSSA-N 301.408 1.447 10 10 DDCE CSc1ncc(CNCCOC(C)(C)C(=N)NO)s1 2269120437 CODBGGLXENGCNV-UHFFFAOYSA-N 304.441 1.706 10 10 DDCE NCc1cc(F)c(N2C[C@@H]3[C@H](C2)CS3(=O)=O)cc1Cl 2336285584 RIHNOWSDOYAUJH-PRHODGIISA-N 304.774 1.171 10 10 DDCE CN(Nc1nc(C(C)(C)C(=O)O)cs1)S(=O)(=O)C1CC1 2365274038 VMZBSZUBJMZCPY-UHFFFAOYSA-N 319.408 1.256 10 10 DDCE Cc1ccc(O)c(CNCc2ccc(S(N)(=O)=O)cc2)c1 71403878 GJTJRZOUICFUBX-UHFFFAOYSA-N 306.387 1.638 10 10 DDCE CN1CCC2(CC1)CN(CCO)c1cc3c(cc1N2)OCCO3 75280875 JMOBTZKNRDUBAM-UHFFFAOYSA-N 319.405 1.146 10 10 DDCE COc1ccc(O)c([C@@H](C)NC[C@@H](C)CS(C)(=O)=O)c1 182436314 KVXYIIXSFMPYSF-GHMZBOCLSA-N 301.408 1.732 10 10 DDCE Cc1cc(CN)ccc1N1CC[C@@H](S(=O)(=O)C(F)F)C1 2368712220 IGEWZOCCKPAYQF-LLVKDONJSA-N 304.362 1.670 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCC(C(N)=O)CC1 96785383 QFVZSODZDJAZCJ-SNVBAGLBSA-N 306.362 1.000 10 10 DDCE CCNC(=O)CCNCc1cc(Br)ccc1O 233472965 JNWOEKHVNULYGL-UHFFFAOYSA-N 301.184 1.771 10 10 DDCE O=C(/C=C\c1ccc(N2CCOCC2)cc1)N[C@@H]1CCCNC1 255141805 HRPXBPLNZKBLCN-KQQSKNTNSA-N 315.417 1.405 10 10 DDCE COc1cccc(CN2CCOC[C@H]2c2noc(C)n2)c1O 359995725 DRLXTSUXZKYWLP-LBPRGKRZSA-N 305.334 1.666 10 10 DDCE CN(CC1(S(C)(=O)=O)CCC1)c1ccc(CN)cc1F 2167830972 GNGCWVNYVCSIKM-UHFFFAOYSA-N 300.399 1.688 10 10 DDCE COc1ccc(CNC(=O)C[C@H]2CCOC[C@@H]2OC)c(O)c1 831032686 HYAQNUNEGRPPEM-ABAIWWIYSA-N 309.362 1.459 10 10 DDCE COc1cccc(CNS(=O)(=O)[C@H]2CCO[C@H](C)C2)c1O 849377472 YQUBZRJTZWVJNB-PWSUYJOCSA-N 315.391 1.388 10 10 DDCE COc1ccc(N2CC[C@@H](N[C@H]3CN4CCC[C@H]3C4)C2)cc1 926679795 GCPBGFNMTZKGPK-DAYGRLMNSA-N 301.434 1.958 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3nc(C)ns3)C2)cc1 853817790 MYRFJIJGMBGVDP-NSHDSACASA-N 318.402 1.864 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)Cn3ccc(C)n3)C2)cc1 855227296 UZDCQQQDENCQSE-AWEZNQCLSA-N 314.389 1.595 10 10 DDCE CNC(=O)CCCC(=O)NCc1ccc2cccnc2c1O 862027142 KKPVSFBOILKVJM-UHFFFAOYSA-N 301.346 1.473 10 10 DDCE COc1ccc(CNS(=O)(=O)C[C@H]2CCC2(F)F)c(O)c1 867217259 CSBKQZPTJSSYQQ-SNVBAGLBSA-N 321.345 1.866 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]12C[C@@H](N)C[C@@H]1C2 872287011 UOHSVDZAWAAQDS-PEBVRCNWSA-N 301.390 1.605 10 10 DDCE COC(=O)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccn(C)n1 787438272 LUJOEZQVJFOIGI-HNNXBMFYSA-N 320.368 1.629 10 10 DDCE CCO[C@H]1COCC[C@H]1CC(=O)NCc1c(O)cccc1O 1156885261 BCTJVVIBCUQAQX-NHYWBVRUSA-N 309.362 1.546 10 10 DDCE CN(c1c(F)cc(CO)cc1F)C1CCS(=O)(=O)CC1 694172398 JUMJDYMFXLYNHY-UHFFFAOYSA-N 305.346 1.471 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@]1(C)CC1(C)C 1353805938 HTJGWSWISZCWCO-KRWDZBQOSA-N 304.390 1.903 10 10 DDCE CS(=O)(=O)c1ccc(C(=O)N2Cc3cccc(O)c3C2)cn1 1471356880 DLYVCJNNLCQKPL-UHFFFAOYSA-N 318.354 1.347 10 10 DDCE COC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(O)cc2O)c1C 1557084768 NTXXGOZSFLQKDO-UHFFFAOYSA-N 318.329 1.759 10 10 DDCE Cc1ccc(O)c(CNC(=O)CSc2cccc[n+]2[O-])c1 1640796669 KHCNXDNVGCCZPK-UHFFFAOYSA-N 304.371 1.743 10 10 DDCE COc1cc(C(=O)NCc2ccc(O)cc2O)cc(OC)c1O 1643103808 GLWXGOYYJAGHFB-UHFFFAOYSA-N 319.313 1.751 10 10 DDCE CCCC(=O)N1CSC[C@H]1C(=O)NCc1c(O)cccc1O 1652625494 FKRCMFWAMFCZJN-NSHDSACASA-N 324.402 1.416 10 10 DDCE CNC(=O)Nc1cccc(C(=O)NCc2c(O)cccc2O)c1 1597573819 HKLXECJXIZJZQG-UHFFFAOYSA-N 315.329 1.779 10 10 DDCE COC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 163162952 BCVCHHYRIBKOLG-OQHXTRMZSA-N 318.373 1.214 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(N)cc2)[C@@H]2COC[C@@H]12 1977952768 TYBLDHXPKKLIAF-RRFJBIMHSA-N 319.405 1.997 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1980377984 RBANDLKANMUACW-PRXAMGSTSA-N 324.421 1.899 10 10 DDCE [N-]=[N+]=N[C@H]1CCCN(C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 2155565087 UAWJATBLCNNHDD-MNOVXSKESA-N 300.384 1.503 10 10 DDCE O=S(=O)(Nc1ccc(O)cc1Cl)N1CCC[C@@H](CO)C1 2157772956 SHOCBDKXZCXKKM-SECBINFHSA-N 320.798 1.407 10 10 DDCE CO[C@@H]1COC[C@@H]1N(C)c1ccc(CO)cc1Br 2057139325 VCDAAMWHHBEWAJ-QWHCGFSZSA-N 316.195 1.791 10 10 DDCE Cc1nc(S(=O)(=O)N2CC[C@H](N=[N+]=[N-])C2)c(Cl)n1C 2338795653 LZLAIIIIWXBCRC-ZETCQYMHSA-N 304.763 1.455 10 10 DDCE CCN1C(=O)NC(=O)/C(=C/c2cc(C)n(C3CC3)c2C)C1=O 8568520 XPIIGPFBYYRSDW-JYRVWZFOSA-N 301.346 1.922 10 10 DDCE COC[C@H](O)CN(C)c1c(F)cc(CNC(C)C)cc1F 62713323 CNGUVKIBAXDXHP-GFCCVEGCSA-N 302.365 1.906 10 10 DDCE CN1CCCc2cc(CNC[C@H]3CCS(=O)(=O)C3)ccc21 50286756 MMADFBXDNBICRT-CQSZACIVSA-N 308.447 1.593 10 10 DDCE CN(CCn1nc2ccccn2c1=O)c1ccc2c(c1)OCO2 121356172 NZRWRLKLYSIANT-UHFFFAOYSA-N 312.329 1.361 10 10 DDCE [N-]=[N+]=NC[C@H]1CCCCN(S(=O)(=O)CCOCCF)C1 2365551415 SEUANPDVOSKBPJ-LLVKDONJSA-N 308.379 1.715 10 10 DDCE Nc1ccc(CCn2cc(Br)c(=O)[nH]c2=O)cc1 88452869 IRLMSAGOTJSNQC-UHFFFAOYSA-N 310.151 1.124 10 10 DDCE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N(C)Cc2ccccc2O)CC1=O 374200949 GOCZDNMUXRYUKR-MRVWCRGKSA-N 317.389 1.543 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C 808529683 PKEGEPXPLQZFBK-LLVKDONJSA-N 315.366 1.627 10 10 DDCE CC(=O)C(=O)COC(=O)CCCc1ccc2c(c1)CC(=O)N2 808515000 HAXJUQHMZUWHPW-UHFFFAOYSA-N 303.314 1.205 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H]2CC[C@H]1CN2 817875904 BLSLHOJFYAZZFT-ZBFHGGJFSA-N 302.422 1.707 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)CC2(O)CCOCC2)c1 907059530 CQZJLTQZYPMTOB-LLVKDONJSA-N 309.362 1.510 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCN(C3CC3)C(=O)C2)cc1 748615609 RYMYFGRCVPCTKK-UHFFFAOYSA-N 316.405 1.269 10 10 DDCE C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@H](C)CN1CCO 841891653 NWPUFDRLBUWSSF-ZIAGYGMSSA-N 309.429 1.779 10 10 DDCE 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1.869 10 10 DDCE CN(Cc1cccc(C(N)=O)c1)C(=O)c1c(F)ccc(O)c1O 1650736472 ZODKOFWHJIDYHR-UHFFFAOYSA-N 318.304 1.608 10 10 DDCE C/C=C(\C)C(=O)NCCNC(=O)c1ccc(N=NC(N)=O)cc1 1686524510 IMPGYZGPHGOHFP-BBXFXDEXSA-N 317.349 1.661 10 10 DDCE COc1ccc(/N=N/N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] 1860483594 AHHHCJZGGDPZPY-CCEZHUSRSA-N 307.310 1.766 10 10 DDCE CCNCc1ccc(N(CC)CC(N)=O)cc1Br 233514310 TWGUHINQISXPTC-UHFFFAOYSA-N 314.227 1.870 10 10 DDCE CC(C)(C)OC(=O)Nc1cccc([C@H](N)[C@H](O)C(=O)O)c1O 1952683756 ZONWCRNFALFJNM-ONGXEEELSA-N 312.322 1.185 10 10 DDCE C[C@@H]1C[S@](=O)CCN1c1ccc(CN)c(Br)c1 2004538346 OGHHJZYAWUDUSZ-VVVCHXIZSA-N 317.252 1.865 10 10 DDCE CN[C@H](C)c1ccc(N2CC(NS(C)(=O)=O)C2)cc1Cl 703156198 IFXPTYGHHNOZRO-SECBINFHSA-N 317.842 1.358 10 10 DDCE O=C1Nc2cc(N3CCO[C@@H](CF)C3)c(Cl)cc2[C@@H]1O 2172041102 KKXFROGAIMUTEQ-MADCSZMMSA-N 300.717 1.500 10 10 DDCE C[C@H]1CNCCN1C(=O)C=Cc1ccc(N2CCOCC2)cc1 2053879042 VSXJAAYVMKFBTR-HNNXBMFYSA-N 315.417 1.357 10 10 DDCE CCS(=O)(=O)C[C@H](C)N(C)c1ccc([C@H](C)N)c(O)c1 2170559353 DZFWIUZSBIRFDE-QWRGUYRKSA-N 300.424 1.671 10 10 DDCE Oc1cc(Br)ccc1CNCC[C@H]1COC[C@@H]1O 2048711376 SVYXZJCCDPEQDC-GWCFXTLKSA-N 316.195 1.642 10 10 DDCE C[C@@H](O)c1ccc(N2CC(=O)NC[C@H]2C)cc1Br 2060844096 YGNNTOFZBYVODR-RKDXNWHRSA-N 313.195 1.827 10 10 DDCE Cn1nccc(NCc2ccc(Br)cc2O)c1=O 2220034094 PGKKAABCESYYIZ-UHFFFAOYSA-N 310.151 1.861 10 10 DDCE CNC(=O)NCCNCc1ccc(C)c(Br)c1O 2327798546 JDBOZTISVXQKFD-UHFFFAOYSA-N 316.199 1.482 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CCCN[C@H]2C)s1 2345358175 ZTESHXPNVLPIIG-QPUJVOFHSA-N 301.437 1.550 10 10 DDCE COC[C@@](NCc1cnc(SC)s1)(C(=O)O)C1CC1 2350653397 TZDSYKUZMZPYNE-LBPRGKRZSA-N 302.421 1.834 10 10 DDCE N[C@H]1C[C@H]2COC[C@@H](C1)[C@@]2(Sc1nccs1)C(=O)O 2351869448 WDZXCVFXQJQWLV-PVQIXRJISA-N 300.405 1.442 10 10 DDCE COC(=O)C1=C(C)NC(=O)/C1=C/c1ccc(OC)c(OC)c1 103662025 VBBYZLWSWKUECJ-YRNVUSSQSA-N 303.314 1.664 10 10 DDCE CCCOc1ccc(/C=C2\C(=O)NC(=O)N(C)C2=O)cc1OC 59860812 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CCOC(=O)[C@@H]1CC[C@H](NC(=O)NCCc2ccc(N)cc2)C1 841899321 VKLLPCNRTFRCSG-HIFRSBDPSA-N 319.405 1.842 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN2CC[C@@H](C)[C@H](C(=O)O)C2)c1O 843040922 MCFCXWBZAKACMB-MWLCHTKSSA-N 324.333 1.852 10 10 DDCE CCN(OC)C(=O)CNCc1cccc(Br)c1O 842769457 PIIFSVYJXLVRIT-UHFFFAOYSA-N 317.183 1.654 10 10 DDCE C[C@H](O)[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCO1 840978796 PLXGGERLWRARGB-GUYCJALGSA-N 324.396 1.244 10 10 DDCE CC(C)[C@H](NC(=O)NCc1c(O)cccc1F)c1nncn1C 922422097 FWCMHLPFVLTXQX-ZDUSSCGKSA-N 321.356 1.856 10 10 DDCE CCOC(=O)CN1C(=O)/C(=C\c2cn(C)nn2)c2ccccc21 755607106 SKUYWTJUSIAHKP-JYRVWZFOSA-N 312.329 1.265 10 10 DDCE CCOc1ccc(CN2CCN(c3nccnn3)CC2)c(O)c1 862436724 JERHXOFYGJFEQM-UHFFFAOYSA-N 315.377 1.298 10 10 DDCE O=C1OC[C@@]2(CNCc3c(O)cccc3Cl)COCCN12 865771052 WVZAYYJJQCNFIU-CQSZACIVSA-N 312.753 1.356 10 10 DDCE COc1cccc(O)c1CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O 862526037 LCSZJNCFHNUWSO-NEPJUHHUSA-N 311.403 1.552 10 10 DDCE COc1cc(O)c(CN2C[C@H]3[C@H]4CC[C@@H](NC4)[C@H]3C2)cc1OC 863653449 JYZQGBKBNXMAMV-CYUUQNCZSA-N 318.417 1.839 10 10 DDCE CC1(C)CO[C@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)C1 871904249 KXWQWJXVERMSIO-ZDUSSCGKSA-N 318.373 1.972 10 10 DDCE O=C(CN1CCN(C2CC2)C1=O)N1Cc2cccc(O)c2C1 871206087 QZLWZUPODLMBBH-UHFFFAOYSA-N 301.346 1.134 10 10 DDCE CC[C@H]1NC(=O)N(Cc2ccc(N3CCN(C)CC3)cc2)C1=O 877879374 ZSDLRKFZOFBWLW-OAHLLOKOSA-N 316.405 1.269 10 10 DDCE C[C@H]1OCC[C@]1(O)CNC(=O)c1cc2cc(O)c(O)cc2s1 897606202 NZFUTDCZCZVRRU-GLEZIHRCSA-N 323.370 1.582 10 10 DDCE O=C1NCC2(CCOCC2)[C@H]1NCc1ccc2c(c1)CCO2 895772902 LRFJPXWAFVFTRJ-HNNXBMFYSA-N 302.374 1.006 10 10 DDCE COC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(C)cc(OC)c1O 895861431 BRXXBUABEITWGW-KGLIPLIRSA-N 323.389 1.910 10 10 DDCE CNC(=O)C[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1 797766977 SJAGZZLHYXBWOG-ZDUSSCGKSA-N 314.341 1.705 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1CCN1C(=O)c1cccc(O)c1O 1963701851 WSSWMLMQFLIHGV-SNVBAGLBSA-N 322.361 1.837 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2cnccn2)cc1C 1266919169 KTVQVSKYLFRXIH-ZDUSSCGKSA-N 314.389 1.702 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC(=O)N(CC3CC3)C2)cc1 1467556162 IFOYCOZXHNZSEY-UHFFFAOYSA-N 315.333 1.501 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1cn2ccsc2n1 1625703357 ZDOGEWWAKDGGTN-UHFFFAOYSA-N 303.343 1.666 10 10 DDCE C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cccc(O)c1O 1558159594 IKZORDBZZHTUFC-QLJPJBMISA-N 315.325 1.943 10 10 DDCE CC(C)(C)OC(=O)N1CC=C[C@H]1C(=O)C(=O)C[C@H]1C[C@H](N)C1 1911297447 KLQRLSDYWGWFSW-SRVKXCTJSA-N 308.378 1.428 10 10 DDCE CC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(OC)OC 1626893138 KTGOKOLRVDEASW-NSHDSACASA-N 308.338 1.976 10 10 DDCE O=C(c1cc(O)cs1)N1CC[C@@H](c2cc(O)nc(O)n2)C1 1631833237 VZXPLABRUZBNFT-SSDOTTSWSA-N 307.331 1.285 10 10 DDCE CCC(=O)N[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1688152987 CJQPYKFIMDUVHD-SECBINFHSA-N 305.338 1.494 10 10 DDCE C[C@H]1CN(Cc2cc3c(cc2O)CCCC3)CCS1(=O)=O 160224916 HWYXPCFCLLNVLE-LBPRGKRZSA-N 309.431 1.890 10 10 DDCE N[C@@H]1CC(C(=O)N2CCc3ccc(Br)cc32)=C[C@@H]1O 2131474169 YNHJLXXAONEKID-YPMHNXCESA-N 323.190 1.357 10 10 DDCE C[C@H](O)c1ccc(N(CCO)C2COC2)cc1Br 1915662400 USWQTGVTHSSRLV-VIFPVBQESA-N 316.195 1.700 10 10 DDCE COCC[S@](C)(=O)=NC(=O)CCOc1ccc(N)cc1 1918074054 HNHWSVILOWAPTP-FQEVSTJZSA-N 300.380 1.309 10 10 DDCE CC[C@@H](C)S(=O)(=O)Nc1ccc(NS(C)(=O)=O)c(C)c1 2144155586 RJNYVKXGRUUNKC-SNVBAGLBSA-N 320.436 1.907 10 10 DDCE O=S1(=O)CC[C@H]2CN(Cc3cc(F)cc(F)c3O)C[C@@H]21 2145071198 KVIPTDDQAGUOFH-UFBFGSQYSA-N 303.330 1.289 10 10 DDCE C[C@@H]([C@@H](N)c1ccccc1O)N1CC(NC(=O)OC(C)(C)C)C1 1987819839 FLYGPOUOVTWJCU-XHDPSFHLSA-N 321.421 1.989 10 10 DDCE CNCc1ccc(N(C)C[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 2148768609 GGIALKLYUNWTPP-LBPRGKRZSA-N 316.854 1.930 10 10 DDCE CCO[C@@H]1CS(=O)(=O)C[C@H]1N1CCC[C@@H](N=[N+]=[N-])CC1 2155562414 FXTLALQTBFQPIV-IJLUTSLNSA-N 302.400 1.353 10 10 DDCE COCC1(NCc2ccc(Br)cc2O)COC1 2015358773 NQMQAKFYWODRFE-UHFFFAOYSA-N 302.168 1.660 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3C[C@@H]4C[C@H]4C3)c(Br)cc21 379555668 GYLYIOMVPIMWPP-WSFZALMZSA-N 308.179 1.857 10 10 DDCE Cn1ncc(Cl)c1S(=O)(=O)N1CCC[C@@H]1CN=[N+]=[N-] 692821052 DXQWSLWLNWISAN-SSDOTTSWSA-N 304.763 1.537 10 10 DDCE NCc1cc(F)c(N2CCOC[C@H](O)C2)cc1Br 399905456 CFWWPJHINOGPIK-SECBINFHSA-N 319.174 1.244 10 10 DDCE CN(Cc1ccccc1O)C(=O)c1conc1C1(C)COC1 2063097345 POYZLFBHIANRDP-UHFFFAOYSA-N 302.330 1.940 10 10 DDCE O=C(O)c1cc(O)ccc1NS(=O)(=O)[C@@H]1CCC[C@@H]1F 2175559181 JUNCGZATFHBVDS-GXSJLCMTSA-N 303.311 1.723 10 10 DDCE Nc1ccc(CS(=O)(=O)N[C@H](CO)c2cccs2)cc1 2175674591 JTNGDCNENLDPMV-GFCCVEGCSA-N 312.416 1.483 10 10 DDCE C[C@H](NCCS(=O)(=O)C(F)(F)F)c1cc(O)ccc1O 2232494664 HTTUMNCEAADBBV-ZETCQYMHSA-N 313.297 1.683 10 10 DDCE COc1cc(OC)c(N2CCN(C)C[C@@H]2CO)cc1Cl 2285919896 NLAOSONMRZYTND-SNVBAGLBSA-N 300.786 1.470 10 10 DDCE COC(=O)C1(CS(=O)(=O)N2CCC[C@@H](N=[N+]=[N-])C2)CC1 2290075431 ZCUMVRQECWVIJV-SECBINFHSA-N 302.356 1.044 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)C=Cc1ccnn1C 2297711945 STRLKFOTOZNNEQ-UHFFFAOYSA-N 312.373 1.925 10 10 DDCE CS(=O)(=O)N1CCN(c2ccc(CNC3CC3)cc2)CC1 62085596 GCAVIYWYHAQOKM-UHFFFAOYSA-N 309.435 1.020 10 10 DDCE CCOC(=O)N1CCCN(Cc2cc([N+](=O)[O-])ccc2O)CC1 170914263 SJYDKUABIZLXHK-UHFFFAOYSA-N 323.349 1.965 10 10 DDCE CCCC(=O)N[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 188355095 GWGYRWAQUPQIJA-LLVKDONJSA-N 306.362 1.619 10 10 DDCE CCOc1cccc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)c1O 180229068 NTMUDQQGJTZBOO-GOEBONIOSA-N 320.433 1.943 10 10 DDCE Oc1cc2c(cc1CN1CCC[C@@H]1Cn1ccnc1)OCO2 188410530 UVIPSDLFFWUDLQ-CYBMUJFWSA-N 301.346 1.982 10 10 DDCE CNC(=O)[C@@H]1CCCN1Cc1cc(Br)ccc1O 133602329 YAELKYXAESGSHR-NSHDSACASA-N 313.195 1.865 10 10 DDCE O=C(c1cccc(O)c1O)N1CCN(Cc2ccon2)CC1 187141129 UMZOORJWICKMLH-UHFFFAOYSA-N 303.318 1.044 10 10 DDCE CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 182477320 KAMPRDVSWVKNPC-UHFFFAOYSA-N 320.370 1.861 10 10 DDCE CN(Nc1nc(C2(C(=O)O)CC2)cs1)S(=O)(=O)C1CC1 2365269991 BONVIBGBKJELLG-UHFFFAOYSA-N 317.392 1.010 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CCN(CC3CC3)CC2)cc1 40330894 WIBHFPGVHUVNMA-UHFFFAOYSA-N 309.435 1.126 10 10 DDCE Nc1ccc(CC(=O)Nc2ccccc2S(N)(=O)=O)cc1 40377968 ITGAQYCTXJUESA-UHFFFAOYSA-N 305.359 1.097 10 10 DDCE COc1cccc(CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1O 362333491 DBIHNKMCWGYSNB-UONOGXRCSA-N 304.390 1.891 10 10 DDCE COC(C)(C)CS(=O)(=O)NCc1ccc(N(C)C)cc1 289302333 IQQGVDJCTGGTOG-UHFFFAOYSA-N 300.424 1.597 10 10 DDCE Cc1cc(Cl)cc(CN2CC[C@H](S(C)(=O)=O)C2)c1O 282253574 BIPDWKDDSJEFPR-LBPRGKRZSA-N 303.811 1.973 10 10 DDCE CC(C)S(=O)(=O)NC1CN(c2ccc(CN)c(Cl)c2)C1 2165628456 JYLAPHYFKHGGNA-UHFFFAOYSA-N 317.842 1.315 10 10 DDCE C[C@H]1CCN(CC(=O)NCc2ccc(N3CCOCC3)cc2)C1 816897777 MEECDPZOXOKJAR-HNNXBMFYSA-N 317.433 1.481 10 10 DDCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CN(C)C(=O)N1 822897900 FFSWUNGQGAYLOV-OAHLLOKOSA-N 318.421 1.513 10 10 DDCE CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CN(C)C(=O)N1 822897898 FFSWUNGQGAYLOV-HNNXBMFYSA-N 318.421 1.513 10 10 DDCE CO[C@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)[C@@H]1CCOC1 831923954 AKRQGKZUTMJVEJ-HCKVZZMMSA-N 309.362 1.197 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCN(C)[C@H]1C 919081992 QDRDQFBSFRGWPD-BBRMVZONSA-N 304.438 1.953 10 10 DDCE Oc1cc2c(cc1CN1CC[C@@H](Nc3ncccn3)C1)OCO2 842614769 FHUKOSOLPNRKOI-GFCCVEGCSA-N 314.345 1.597 10 10 DDCE CC(C)CN1N=C(C(=O)NCc2c(O)cccc2F)CCC1=O 928708983 UNLYXVNEARGVIG-UHFFFAOYSA-N 321.352 1.782 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)c3ccnc(C)n3)C2)cc1 855229995 BQONDIVWQNMCNK-CYBMUJFWSA-N 312.373 1.802 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)C2(N3CCOCC3)CC2)c1 866764450 MJGXHLBQYFFUSL-LBPRGKRZSA-N 320.389 1.443 10 10 DDCE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(C(=O)C(=O)C[C@H]2C[C@H](N)C2)C1 1897321955 VWHHISREIXUGQH-BDBYMAIGSA-N 322.405 1.509 10 10 DDCE CN(CCN=[N+]=[N-])C(=O)C1(F)CN(C(=O)OC(C)(C)C)C1 1885561563 TUDMEPDPAPHGEG-UHFFFAOYSA-N 301.322 1.714 10 10 DDCE Cc1cc(CC(=O)N[C@H](CO)C(=O)O)c(C)n1-c1ccccc1 1335018346 XLRFCUIZJGYICF-OAHLLOKOSA-N 316.357 1.198 10 10 DDCE CC[C@@H](C(=O)NCc1cccc(O)c1O)N1CCO[C@H](CC)C1 1521851376 LRGRXIHTRBEOBM-KGLIPLIRSA-N 322.405 1.603 10 10 DDCE C[C@H](NC(=O)c1cnc(O)c([N+](=O)[O-])c1)c1ccccc1O 1454817312 JXAZFFZISPRPMW-QMMMGPOBSA-N 303.274 1.892 10 10 DDCE CSCC[C@@H](NC(N)=O)C(=O)N1CCC(N=[N+]=[N-])CC1 1912152310 RHKSPBIVIDOHOJ-SECBINFHSA-N 300.388 1.078 10 10 DDCE O=C(NC[C@@H]1COc2ccccc2O1)c1c(F)ccc(O)c1O 1638124910 NRCVHLHGLDZUMA-SECBINFHSA-N 319.288 1.807 10 10 DDCE Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCc1cc(O)ccc1O 1637126211 ONQCKJFEUOKCMH-VIFPVBQESA-N 303.362 1.933 10 10 DDCE COc1ccc(CNCCN(C)C(=O)c2cnon2)cc1C 1664260653 QUJHTXNGSRYQLJ-UHFFFAOYSA-N 304.350 1.248 10 10 DDCE CO[C@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 1595595322 BJXKZQQJFWIJPO-MRXNPFEDSA-N 301.342 1.972 10 10 DDCE Cc1ccc([C@H](C)N[C@H](C)CS(=O)(=O)N(C)C)c(O)c1 1967465459 MEVHJXYWQBUGHV-NEPJUHHUSA-N 300.424 1.631 10 10 DDCE C[C@H]1CO[C@@H](CO)CN1c1ccc(CN)c(C(F)(F)F)c1 167012211 WETVDIXURUSTDZ-JOYOIKCWSA-N 304.312 1.750 10 10 DDCE CCOc1cccc(CNCC(=O)N2C[C@H](C)O[C@H](C)C2)c1O 1857867169 XFOJHDYFLBVCIG-BETUJISGSA-N 322.405 1.516 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@]1(C(=O)O)c1ccc(O)c(O)c1 1952678606 UFBKOELZTDQVOQ-NHYWBVRUSA-N 309.318 1.717 10 10 DDCE Cn1[nH]c(=NC(=O)c2cccc(O)c2O)cc1Br 1973760012 AJADHGQHDAFGGD-UHFFFAOYSA-N 312.123 1.268 10 10 DDCE CS(=O)(=O)C[C@@H]1CCCN1c1c(F)cc(CN)cc1F 2151271325 DMGGLWAEDZSBJF-JTQLQIEISA-N 304.362 1.437 10 10 DDCE CNCc1cc(F)c(N(C)[C@@H](C)CS(C)(=O)=O)c(F)c1 688560594 OYCHCEFZEWDCGZ-VIFPVBQESA-N 306.378 1.554 10 10 DDCE NC(=O)N1CCN(Cc2ccc(Br)cc2O)CC1 722191460 XHWYVVWKPBCSHF-UHFFFAOYSA-N 314.183 1.351 10 10 DDCE C[C@H]1CS(=O)(=O)CCN1c1c(F)cc([C@@H](C)O)cc1F 2194516229 UGPWQCRDHBPJSW-DTWKUNHWSA-N 305.346 1.641 10 10 DDCE NCc1ccc(N2CC([C@@H](F)CO)C2)c(F)c1Br 2048034689 AHYOEWLVIKBGAT-VIFPVBQESA-N 321.165 1.814 10 10 DDCE COc1ccc(CN=c2[nH]ccnc2Br)c(O)c1 2057935260 JTSRBJZRTURAQF-UHFFFAOYSA-N 310.151 1.987 10 10 DDCE C[C@H](N)c1ccc(N2CC(S(=O)(=O)C(F)F)C2)cc1O 2206705681 NJVXGPMMSRYQDZ-ZETCQYMHSA-N 306.334 1.238 10 10 DDCE Cc1cc([C@@H](C)N)ccc1N1CCSC[C@@H]1S(C)(=O)=O 2240831248 WCVRWKASLOMWEN-RISCZKNCSA-N 314.476 1.939 10 10 DDCE COC(=O)C=C1SC(NC(=O)c2cccc(Cl)c2)=NC1=O 2295480553 KMGIXEXDZSRDHV-UHFFFAOYSA-N 324.745 1.756 10 10 DDCE CSc1ncc(CNC(=O)c2ccnc(C(N)=S)c2)s1 2284704178 SSMRKMWYWBNJMN-UHFFFAOYSA-N 324.456 1.824 10 10 DDCE CN(Cc1cc(Br)ccc1O)[C@@H]1CNC[C@H]1F 2303704271 VGLGPNVXGOTFDR-GHMZBOCLSA-N 303.175 1.896 10 10 DDCE Cc1noc([C@H](C)N2CCN(Cc3ccccc3O)CC2)n1 179572102 AURAPJKUDGHOJL-LBPRGKRZSA-N 302.378 1.962 10 10 DDCE COc1cccc(CNC(=O)N[C@@H]2CCCn3ncnc32)c1O 176593735 QDDOISWOHHBFQA-LLVKDONJSA-N 317.349 1.327 10 10 DDCE COc1cc(O)c(CN2CCN(C[C@H](C)O)[C@@H](C)C2)cc1OC 252734012 XUTMXPJKWTUYDY-STQMWFEESA-N 324.421 1.296 10 10 DDCE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N(C)Cc2ccccc2O)CC1=O 374200947 GOCZDNMUXRYUKR-BNOWGMLFSA-N 317.389 1.543 10 10 DDCE C[C@H](NCc1cnn(C)n1)c1ccc(N2CCOCC2)c(F)c1 806168719 YFHNWRSNPZHLIP-LBPRGKRZSA-N 319.384 1.642 10 10 DDCE CCO[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2O)[C@H]1n1cccn1 819391766 PDTKZMOHIRSWJC-MRVWCRGKSA-N 317.345 1.443 10 10 DDCE CCc1ncc(CN2C(=O)CN(Cc3ccccc3O)C2=O)o1 819170055 SRRKJUFJMPMFHT-UHFFFAOYSA-N 315.329 1.907 10 10 DDCE Fc1cc(CN2CCC3(COC3)C2)ccc1N1CCOCC1 827645264 TUSRLYZXGRMQLF-UHFFFAOYSA-N 306.381 1.885 10 10 DDCE COc1cccc(CN2CC[C@@H](N(C)C(=O)N(C)C)C2)c1O 827544837 LRAGKOKJDPUYIH-CYBMUJFWSA-N 307.394 1.589 10 10 DDCE O=C(O)C1(C(=O)NCc2cc(Cl)ccc2O)CCOCC1 911332448 VJMIQQHSBRPNHC-UHFFFAOYSA-N 313.737 1.543 10 10 DDCE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(O)cs2)C1 844154271 XIYGJXXCAHVBGY-LLVKDONJSA-N 322.308 1.594 10 10 DDCE C[C@@H](C1CC1)N(C)S(=O)(=O)NCc1c(O)cccc1F 921452238 INVWYWDXIMMUPK-VIFPVBQESA-N 302.371 1.596 10 10 DDCE C[C@H]1CN(C)C[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 850405999 NRRVDVIOERQRRM-KSSFIOAISA-N 303.450 1.687 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H](O)C3CCC3)C2)cc1 855223119 FBVCDINAKFOEJO-CZUORRHYSA-N 304.390 1.551 10 10 DDCE CN(Cc1cc(O)n2ncc(C(=O)O)c2n1)C[C@@H]1CC1(C)C 853084948 PLVASLKGKZVUBH-VIFPVBQESA-N 304.350 1.611 10 10 DDCE C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1[C@H]2CN[C@H]1C2 925718678 ZALQGAATVZCVPR-UAFONNFLSA-N 315.461 1.734 10 10 DDCE COC(=O)C(C)(C)CS(=O)(=O)N[C@@H](C)c1ccccc1O 867836324 OLNRBWDEPLQEHM-JTQLQIEISA-N 315.391 1.572 10 10 DDCE COC1(CS(=O)(=O)NCc2ccc(N(C)C)cc2)CCC1 866425340 RTQTVDJRDMDMCJ-UHFFFAOYSA-N 312.435 1.741 10 10 DDCE COC[C@H](O)CNCc1c(C(=O)OC)n(C)c2ccc(F)cc12 894684412 MMTMQDLSEMQIMF-LLVKDONJSA-N 324.352 1.201 10 10 DDCE CN(Cc1ccccc1O)C(=O)C1CN(C2CCOCC2)C1 895756576 YBJQZDIOIAIIAV-UHFFFAOYSA-N 304.390 1.461 10 10 DDCE COc1ccc(N2CCN(C(=O)c3csc(O)n3)CC2)cc1 792016766 ADYXWIISCNLVJJ-UHFFFAOYSA-N 319.386 1.820 10 10 DDCE Cc1noc(C)c1C[C@H](C)NC(=O)Cc1ccc(O)c(O)c1 1147318502 VRJRUMAMXFMNCG-VIFPVBQESA-N 304.346 1.993 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@@H]1CC(=O)C(=O)C[C@H]1C[C@H](N)C1 1961042853 GSMATNSSYJVRSR-IJLUTSLNSA-N 310.394 1.652 10 10 DDCE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)c1ccc(O)c(O)c1 1962353138 HSYKRZUHFBFZFJ-NXEZZACHSA-N 308.334 1.493 10 10 DDCE O=C(NCc1nc(Cl)cs1)c1cc(O)c(O)c(O)c1 1888447236 UIKIIYDEWUFOLB-UHFFFAOYSA-N 300.723 1.843 10 10 DDCE CN(c1c(F)cc(CO)cc1F)C1CC(S(C)(=O)=O)C1 716103869 VUAODVKSTCXNFY-UHFFFAOYSA-N 305.346 1.469 10 10 DDCE C[C@](O)(C(=O)NCc1cccc(O)c1O)c1ccc(F)cc1 1455318010 XOBRGNVQAFKADQ-MRXNPFEDSA-N 305.305 1.761 10 10 DDCE Cc1cc(CC(=O)N=c2nc[nH]n2C)c(C)n1-c1ccccc1 1525695886 VLBWOFIYZCCZDB-UHFFFAOYSA-N 309.373 1.826 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 1540747665 GQEGDUBRVJFJCR-SECBINFHSA-N 324.362 1.014 10 10 DDCE NC(=O)Cc1occc1C(=O)N1CCOc2c1ccc(F)c2F 1557136684 BVSBWRZKYVSMCD-UHFFFAOYSA-N 322.267 1.625 10 10 DDCE COC[C@@H](C)N[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1714309559 QBHZDRLOAYQATB-WDEREUQCSA-N 321.381 1.592 10 10 DDCE CN1CCC2(CCN(C(=O)c3c(F)ccc(O)c3O)CC2)C1=O 1638630826 ZXNFMFBOVAFDAF-UHFFFAOYSA-N 322.336 1.321 10 10 DDCE [N-]=[N+]=NC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 1912144627 WKBZEVOVDGMESA-UHFFFAOYSA-N 301.259 1.417 10 10 DDCE CCc1nc(CNC(=O)NCc2cccc(Cl)c2O)n[nH]1 1564820284 ABGQUPYWHKHKLY-UHFFFAOYSA-N 309.757 1.726 10 10 DDCE Cc1ccccc1-n1c(C)cc(C(=O)NC2=NCC(=O)N2C)c1C 1647892934 QZRPGFHGKHOJQF-UHFFFAOYSA-N 324.384 1.960 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCc1c(F)cc(O)cc1F 1645290596 ZEFLVYVMIOWWBE-UHFFFAOYSA-N 323.295 1.983 10 10 DDCE C[C@@H](NC(=O)NCc1nnc(O)n1C1CC1)c1ccccc1O 1684881993 JKHFNXLEEDEFDN-SECBINFHSA-N 317.349 1.585 10 10 DDCE COC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccccn2)SC1=S 5846219 LSMREKBZHKXJPJ-RYGSOJJJSA-N 308.384 1.844 10 10 DDCE CCOC(=O)c1ccc(=Nc2cc([N+](=O)[O-])ccc2O)[nH]n1 1859843830 ZBTWFKSBGFODNO-UHFFFAOYSA-N 304.262 1.433 10 10 DDCE O=C(NCCNOCc1ccccc1)c1ccc(O)c(O)c1 1928093460 BYNWWCRYKRFDTB-UHFFFAOYSA-N 302.330 1.549 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H](O)[C@@H](F)C2)c(Br)c1 1944302899 WVIWURLKRIAXDD-VHRDEZTHSA-N 303.175 1.988 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc(O)c([C@]2(N)C[C@H]2C(=O)O)c1 1952899968 RLPKLXVGQCCDEY-ZUZCIYMTSA-N 308.334 1.998 10 10 DDCE C[C@H]1C[C@@H](NCc2cc(F)cc(F)c2O)CCS1(=O)=O 2143955724 KAAIYKXIBAKDIG-KWQFWETISA-N 305.346 1.726 10 10 DDCE Nc1ccc(O)c(CNS(=O)(=O)C[C@H]2CC[C@H](F)C2)c1 2150403660 MINNCSKISZZQIY-ONGXEEELSA-N 302.371 1.532 10 10 DDCE COC(=O)CCCS(=O)(=O)N1CCC[C@H](N=[N+]=[N-])CC1 2155551400 JYORRTQSIKOCFJ-JTQLQIEISA-N 304.372 1.434 10 10 DDCE NC[C@@H]1C[C@H](O)CN1Cc1cc(Br)ccc1O 2014243789 LWCNDWLPSLBROG-QWRGUYRKSA-N 301.184 1.049 10 10 DDCE Cn1cc(C=Cc2nc3ccccc3c(=O)n2CCC(=O)O)cn1 2040503180 LCBRXAHZKOTDMF-UHFFFAOYSA-N 324.340 1.775 10 10 DDCE CN1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1C(=O)O 686106889 SVUWOPKHNXUWCD-LLVKDONJSA-N 319.188 1.900 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3C[C@@H](C)OC4(CCC4)C3)c2n1 2062381695 NJQWSIHFNCMGNW-LLVKDONJSA-N 316.361 1.527 10 10 DDCE CO[C@H]1COC[C@H]1NCc1cc(Br)cc(F)c1O 2057145622 LATYIWJZQSFDOT-MNOVXSKESA-N 320.158 1.797 10 10 DDCE Cn1nncc1CCNCc1c(O)cccc1Br 2059304858 BWAHOIODOMLGNR-UHFFFAOYSA-N 311.183 1.616 10 10 DDCE CO[C@@H]1C[C@H](NCc2c(O)cccc2Br)C[C@@H]1O 2067183457 PAXXATQTOOMBAJ-OXHMUOHRSA-N 316.195 1.783 10 10 DDCE CCNCc1ccc(N(C)C2CS(=O)(=O)C2)c(Cl)c1 2095900327 PGHRDDHRBTVDAM-UHFFFAOYSA-N 302.827 1.683 10 10 DDCE CSc1ncc(CNC(=O)[C@]2(C)CC[C@H]2C(=O)O)s1 2269137467 JFQQRMKLCRUDOJ-QPUJVOFHSA-N 300.405 1.982 10 10 DDCE COc1ccccc1C=CC=C1C(=O)N(C)C(=O)N(C)C1=O 2294523447 TXVJMKKNYDZDQE-UHFFFAOYSA-N 300.314 1.685 10 10 DDCE CCc1cccc2c1NC(=O)C2=C1SC(=S)N(N)C1=O 2295499325 HCDUDNUIYUKZSH-UHFFFAOYSA-N 305.384 1.646 10 10 DDCE CO[C@H](C(=O)NCc1cnc(SC)s1)C1CCNCC1 2284504965 QRQLGOMAMFCSOX-NSHDSACASA-N 315.464 1.496 10 10 DDCE CS(=O)(=O)[C@H]1CC[C@H](Sc2ncc(C(=O)O)s2)C1 2319418407 OTPJBIIJJYGVRE-BQBZGAKWSA-N 307.418 1.899 10 10 DDCE CO[C@@](C)(CO)CNCc1ccc(C)c(Br)c1O 2327630000 HETGWNGQMWIMND-CYBMUJFWSA-N 318.211 1.950 10 10 DDCE COC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccc(O)c(O)c2)C1 170046554 WMYBSXGEPYZODZ-DGCLKSJQSA-N 321.373 1.688 10 10 DDCE COc1ccc(N2CCN(S(=O)(=O)CCCF)CC2)cc1 175494859 CGEYXQYTKRYXNC-UHFFFAOYSA-N 316.398 1.507 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CCCCO2)C1 2364102150 XZCUBWYLCVSPQU-RYUDHWBXSA-N 302.400 1.908 10 10 DDCE CN(C)c1ccc(Cn2nc(C(N)=O)c3c2CCCC3=O)cc1 74522152 YCZNNUWULFQLKJ-UHFFFAOYSA-N 312.373 1.615 10 10 DDCE C[C@H](OCC(=O)NCCc1ccc(O)c(O)c1)c1nccn1C 807106843 SLRJHJAJUXNWBE-NSHDSACASA-N 319.361 1.268 10 10 DDCE C[C@@H](NCC(C)(C)CS(C)(=O)=O)c1ccc(O)cc1O 723879440 OKHDMXQKRWIRRP-SNVBAGLBSA-N 301.408 1.819 10 10 DDCE OCCO[C@]1(CNCc2ccc3ccccc3c2O)CCOC1 826942382 PGZXUTAHSWQABL-SFHVURJKSA-N 317.385 1.803 10 10 DDCE Cc1cc(O)c(CN2CC[C@@H](NS(C)(=O)=O)C2)cc1Cl 824836085 IGVQFFIOEFOOFF-LLVKDONJSA-N 318.826 1.478 10 10 DDCE CN(C)c1ccc(/C=C/CNc2ccn(CCC(N)=O)n2)cc1 835032891 MWLCCSYSXGWOHY-ONEGZZNKSA-N 313.405 1.950 10 10 DDCE C[C@@H]1CCNC[C@H]1NC(=O)N(C)Cc1ccc(N(C)C)cc1 841975959 JIZXSTZPIOKWKV-CZUORRHYSA-N 304.438 1.892 10 10 DDCE Cc1cc(O)c(CN2CCN([C@H]3CCNC3)CC2)c(Cl)c1 843124662 JEUASOMLOGYZKS-ZDUSSCGKSA-N 309.841 1.834 10 10 DDCE COc1ccc(N2CCN(C[C@@H]3CC4(CNC4)CO3)CC2)cc1 923318367 IPONQPVCJHMPQC-KRWDZBQOSA-N 317.433 1.196 10 10 DDCE CCCN(Cc1ccccc1O)CC1CN(S(C)(=O)=O)C1 929753800 WHWJPSDDIPIAKK-UHFFFAOYSA-N 312.435 1.496 10 10 DDCE CN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc(N)cc1 863556754 DLBUAUATXASOJH-JKSUJKDBSA-N 303.406 1.875 10 10 DDCE CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(N)cc2)CCN1C 868309389 HSGAEFITESRGJN-CQSZACIVSA-N 304.394 1.006 10 10 DDCE CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O 868375510 QVHBHRAHAWDCSH-QWRGUYRKSA-N 314.407 1.576 10 10 DDCE CC(=O)N1CCN(c2ccc(CNc3cccnn3)cc2)CC1 786070794 RLWYBWRWQUVJIK-UHFFFAOYSA-N 311.389 1.757 10 10 DDCE CN(Cc1ccccc1O)Cc1nc(Br)nn1C 893962297 NNWFBSBIGWGQDQ-UHFFFAOYSA-N 311.183 1.915 10 10 DDCE CN(C)c1ccc(C(=O)NCc2c(O)cccc2O)cc1C=O 1304053037 AFKVTVBLHJPHMX-UHFFFAOYSA-N 314.341 1.906 10 10 DDCE CCCN(Cc1c(O)cccc1F)[C@H]1CCS(=O)(=O)C1 1964537187 GCOUMRYWKBMOJP-NSHDSACASA-N 301.383 1.930 10 10 DDCE CN(CCC(F)(F)F)C(=O)C(=O)N1Cc2cccc(O)c2C1 1329411845 UCRMNOHEKAJJJE-UHFFFAOYSA-N 316.279 1.645 10 10 DDCE CCOc1ccc(N2CCN([C@@H]3CON(CC)C3=O)CC2)cc1 1327556351 XKQXBCMZDJUZAO-MRXNPFEDSA-N 319.405 1.370 10 10 DDCE CNCc1ccc(N(C)[C@@H](C)C(=O)NC)cc1Br 1916203265 XCHCFATZNQMCBL-VIFPVBQESA-N 314.227 1.739 10 10 DDCE C[C@H]1CN(CCCNC(=O)Cc2ccc(O)c(O)c2)C[C@@H](C)O1 1540552395 LBENHRLTUYLENQ-BETUJISGSA-N 322.405 1.256 10 10 DDCE CCc1nnc(O)c(C(=O)NCc2ccc(O)cc2O)c1CC 1638351920 IFMVKYZSDAHBSJ-UHFFFAOYSA-N 317.345 1.648 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCCc1ccc(CO)cc1 1637239675 GVDCNDVCFIHOAL-UHFFFAOYSA-N 301.342 1.492 10 10 DDCE CCO[C@H]1CS(=O)(=O)C[C@H]1N1CCC(CN=[N+]=[N-])CC1 1912145777 LEKNNGRVCLCRKH-NEPJUHHUSA-N 302.400 1.211 10 10 DDCE CCc1nn(C)c(Cl)c1C(=O)NCc1c(O)cccc1O 1652625350 CGQTWBUKSQBKIO-UHFFFAOYSA-N 309.753 1.977 10 10 DDCE CC(=O)N[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)C(C)C 1759517353 DJTHCBGWQNTOOX-ZDUSSCGKSA-N 319.365 1.740 10 10 DDCE O=C(CCNC(=O)c1cccs1)NCc1cc(O)ccc1O 1593869869 XUVSZCBRBQBSPZ-UHFFFAOYSA-N 320.370 1.596 10 10 DDCE CO[C@H](C)CNCCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 1691630912 KOCZPUBUWMFAQU-LLVKDONJSA-N 321.381 1.546 10 10 DDCE NCc1ccc(N(CCCO)CCCO)cc1Br 1922157276 UVYFPVBAZWMABW-UHFFFAOYSA-N 317.227 1.479 10 10 DDCE CS[C@H]1CCC[C@H]1NS(=O)(=O)Cc1ccc(N)cc1 235277134 SSNFMCHDCFFYDY-OLZOCXBDSA-N 300.449 1.972 10 10 DDCE CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(O)c1)[C@@H]1CC(=O)N1 1951992312 GYDSSWYTEOYZQB-MNOVXSKESA-N 322.361 1.422 10 10 DDCE OC[C@@H]1COC[C@@H]1NCc1cc(Br)cc(F)c1O 2029845204 SKLCIVCIJCHCPY-KCJUWKMLSA-N 320.158 1.391 10 10 DDCE CNCc1ccc(N2C[C@@H]3C[C@@H](O)[C@H]3C2)cc1Br 2033981907 XGZATDMHBBKNMP-VHRBIJSZSA-N 311.223 1.986 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N(C)[C@H]3CCN(C)[C@@H](C)C3)c2n1 2062368166 YGYWBWLUMRTEPD-RYUDHWBXSA-N 317.393 1.298 10 10 DDCE COC1([C@@H](C)NC(=O)c2cnn3c(O)cc(C)nc23)CCC1 2064841735 YZWVUQJXVPIBFX-SNVBAGLBSA-N 304.350 1.431 10 10 DDCE COc1cccc(Cn2nc(C)cc2C(=O)NC2CC2)c1O 2070084691 YWQOYCZDABKGEX-UHFFFAOYSA-N 301.346 1.846 10 10 DDCE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1c1ccc(CN)c(F)c1F 2170277849 HYHXRIJSMGHOGA-RKDXNWHRSA-N 304.362 1.435 10 10 DDCE CC[C@H](c1ccc(OC)cc1O)n1nc(C)c(C(N)=O)c1N 2079958296 UCTZWFXHTICFAW-LLVKDONJSA-N 304.350 1.586 10 10 DDCE COc1ccc(Br)c(CN2CCN[C@@H]3C[C@@H]32)c1O 2220455398 FAMRQUZLYTXGEC-MNOVXSKESA-N 313.195 1.709 10 10 DDCE COCCOCCOCCSc1ncc([C@H](C)O)s1 2231782021 GKHBUJIVVGENPA-JTQLQIEISA-N 307.437 1.968 10 10 DDCE Cn1cc(NC(=O)c2cc(O)nc(O)c2)c(Br)n1 2223055429 JEUTYUTZANYTPN-UHFFFAOYSA-N 313.111 1.241 10 10 DDCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(O)c(O)c1 2297314346 BALKKLPJQHKSGU-UHFFFAOYSA-N 324.292 1.764 10 10 DDCE Cc1ccc(CN(C)C[C@@H](O)CN)c(O)c1Br 2307566992 LUWUVYACGFLCMJ-JTQLQIEISA-N 303.200 1.215 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)CC[C@H](CN)C2)s1 2345347790 YQSBQBYUPLGYCC-QPUJVOFHSA-N 301.437 1.537 10 10 DDCE COc1ccc(N2CCN(CCCNC(C)=O)CC2)cc1F 122013037 CRISPTFAAUBFOX-UHFFFAOYSA-N 309.385 1.483 10 10 DDCE Cc1cc(C)n(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 183414384 MCVSMGBQKZWLGM-JTQLQIEISA-N 303.362 1.659 10 10 DDCE COC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1 318407531 HUYAXDKXBVXMQB-CYBMUJFWSA-N 301.298 1.742 10 10 DDCE CC(C)CC(=O)N[C@H](C(=O)NCc1ccc(O)c(O)c1)C(C)C 182549600 XKAQXTXZRZMXPF-INIZCTEOSA-N 322.405 1.901 10 10 DDCE CCCc1nc2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2n1 47154842 JNIYTUQGNCGGJY-RAXLEYEMSA-N 314.414 1.717 10 10 DDCE O=C1CC[C@H](c2cccc(I)c2O)N1 238725510 RDVDJTQWSJBPAT-MRVPVSSYSA-N 303.099 1.948 10 10 DDCE CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2CN(C)C(=O)N2)cc1 819974218 KFVRUCOUVXMCOZ-HNNXBMFYSA-N 318.421 1.515 10 10 DDCE Cc1cc(O)ncc1NS(=O)(=O)c1cc(F)cc(F)c1O 821184554 COSKPQVGNXPRTR-UHFFFAOYSA-N 316.285 1.880 10 10 DDCE Oc1ccc(F)cc1CN1C[C@@H]2CC[C@H](C1)N2C1CCNCC1 903980000 BPRQTPFMQACNAG-CALCHBBNSA-N 319.424 1.932 10 10 DDCE COC(=O)c1cc(OCCO[C@H]2CCOC2)ccc1N(C)C 918651382 LWKYTHPUPJRRIE-ZDUSSCGKSA-N 309.362 1.724 10 10 DDCE Cc1ccc(C(=O)NC(C)(C)CCN2CCOCC2)c(O)c1O 912951363 LTNIQDUTUCFCDR-UHFFFAOYSA-N 322.405 1.637 10 10 DDCE CC1(C)CC[C@@H](C(=O)N(CC(=O)O)Cc2ccccc2O)O1 911489594 SMNKDGDIEZTVFT-ZDUSSCGKSA-N 307.346 1.763 10 10 DDCE C[C@H](C(=O)NCc1c(O)cccc1F)n1nnnc1C(C)(C)C 928707177 BTCJPHPKIUZZDN-SECBINFHSA-N 321.356 1.693 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3snnc3C)C2)cc1 855228428 CEDZHDARYBJAAQ-NSHDSACASA-N 318.402 1.864 10 10 DDCE O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC1COC1 858154439 HQZUDAFMBJWBQG-UHFFFAOYSA-N 323.368 1.108 10 10 DDCE COc1ccc(N2CC[C@H](NC3CCN(C(C)=O)CC3)C2)cc1 850345488 BULUEDZHEHAUHM-INIZCTEOSA-N 317.433 1.874 10 10 DDCE CN(C)c1ccc(/C=C/CNC[C@@]2(OCCO)CCOC2)cc1 850358688 UIIFINCHDWBJMC-WHLIDYPQSA-N 320.433 1.523 10 10 DDCE CN(C)[C@H]1[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@@H]21 931277805 SPXGFOHKWKYSRM-PIIMJCKOSA-N 301.434 1.515 10 10 DDCE Cc1ccc(O)c(CNC(=O)CN2CCN(C3CC3)C2=O)c1 862753823 IIMOEFIGHZZGKM-UHFFFAOYSA-N 303.362 1.217 10 10 DDCE COc1cccc(CNC(=O)c2nc([C@@H]3C[C@@H]3C)no2)c1O 865925531 LZPOFHLGAOUUTN-WCBMZHEXSA-N 303.318 1.837 10 10 DDCE O=C([C@@H]1COCCN1C1CCCC1)N1Cc2cccc(O)c2C1 871205115 WWEMENVRKFTLJG-INIZCTEOSA-N 316.401 1.878 10 10 DDCE COC(=O)[C@@H](C1CC1)N1CCN(c2ccc(OC)c(F)c2)CC1 782046243 YSJQZGJSBOTTES-MRXNPFEDSA-N 322.380 1.908 10 10 DDCE C[C@@]1(C(N)=O)CCN(Cc2ccc(N3CCOCC3)cc2)C1 793388776 GEIZVKVXJPQDOO-QGZVFWFLSA-N 303.406 1.221 10 10 DDCE CCNC(=O)CCNCc1ccc(Br)cc1O 691426864 MGNXYJKRZMBDPE-UHFFFAOYSA-N 301.184 1.771 10 10 DDCE O=C(O)Cc1csc(CNCc2ccc3c(c2)CCO3)n1 1261889487 ACXPLFRDOWYZIU-UHFFFAOYSA-N 304.371 1.995 10 10 DDCE O=C(Nc1ccc(O)c(CNC(=O)[C@@H]2C[C@H]2F)c1)[C@@H]1C[C@@H]1F 1347278287 HWCWWTONVRFADY-KKOKHZNYSA-N 310.300 1.663 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CCC34COC4)c(Br)cc21 2115158318 JNRAXDMZVFSCLU-NSHDSACASA-N 324.178 1.380 10 10 DDCE O=C(/C=C\COC1CCOCC1)NCc1cccc(O)c1O 1521851428 LYZGOKJXWSJHEE-DJWKRKHSSA-N 307.346 1.466 10 10 DDCE CN(C(=O)c1ccc(N=NC(N)=O)cc1)C1(C(N)=O)CCCC1 1630855925 XVENXOHVHOIAMX-UHFFFAOYSA-N 317.349 1.719 10 10 DDCE COc1cc(O)ncc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 1567467687 OTOBIWSGQDFJIH-VIFPVBQESA-N 318.329 1.568 10 10 DDCE [N-]=[N+]=NC[C@@H]1CCN(CCS(=O)(=O)N2CCCCC2)C1 1912175070 HXDSIKSMLJQDKQ-LBPRGKRZSA-N 301.416 1.434 10 10 DDCE CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCN1CC 1639587741 DGPRXLREUPVGNP-CQSZACIVSA-N 320.389 1.378 10 10 DDCE COc1ccc([N+](=O)[O-])cc1C(=O)NCc1c(O)cccc1O 1635843354 NULIRKCYJREWGJ-UHFFFAOYSA-N 318.285 1.945 10 10 DDCE CC/C=C(/C)C(=O)NC[C@@H](O)CNCc1ccc(OC)c(C)c1 1732634504 MSYYKNBMZBJMML-DZNGUJDPSA-N 320.433 1.927 10 10 DDCE CCCC(=O)NC[C@@H](CC)NC(=O)c1cc(OC)nc(OC)c1 1738100966 TVFXCEWNJSMBFV-GFCCVEGCSA-N 323.393 1.524 10 10 DDCE C[C@@H](NCc1ccccc1O)C1(O)CN(C(=O)OC(C)(C)C)C1 1918701827 KNJWDLGKDJSMIJ-GFCCVEGCSA-N 322.405 1.852 10 10 DDCE C[S@@](=O)C1CN(c2ccc(CN)c(Br)c2F)C1 2004527191 ZOTJCSBFWAOWQB-QGZVFWFLSA-N 321.215 1.614 10 10 DDCE C[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccc(N)cc2)CS1 709732824 MDEMRYJNTHLHTD-GXFFZTMASA-N 300.449 1.972 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H](C)c3ncc(C)s3)c2n1 2064160189 WQKCRAQWTHNWFH-VIFPVBQESA-N 317.374 1.999 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@H](c4ccco4)C3)c2n1 2064927295 DFDVJXPYDOJNPH-LLVKDONJSA-N 312.329 1.966 10 10 DDCE C[C@H](N)c1cc(F)c(N2CC[C@@H](S(C)(=O)=O)C2)c(F)c1 2194692843 WPZZRGPHGNCVKX-WCBMZHEXSA-N 304.362 1.608 10 10 DDCE CN(C[C@@H]1CCS(=O)(=O)C1)c1ccc(CN)c(Cl)c1 2092354470 YWOIHPNNQDNOKQ-JTQLQIEISA-N 302.827 1.670 10 10 DDCE CN[C@H](C)c1ccc(N2C[C@H](O)[C@H](O)[C@@H]2CF)cc1Cl 2205603611 WSZUMXBITBTIID-DGJRKYIQSA-N 302.777 1.500 10 10 DDCE CSc1ncc(CNC(=O)[C@@]2(C)C[C@H](N)CCO2)s1 2269095400 XJNMECQDVKRWGI-PRHODGIISA-N 301.437 1.378 10 10 DDCE C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1c1ccc(CN)c(F)c1 2279333541 INBDZYXNJIGZBH-ZWNOBZJWSA-N 300.399 1.686 10 10 DDCE COc1cc(OC)c(N2CC[C@H](O)[C@@](C)(O)C2)cc1Cl 2285907734 ZYMKHRSZCWMFQA-KBPBESRZSA-N 301.770 1.679 10 10 DDCE C[C@@H]1CCN(C(=O)C=Cc2ccc(O)c(O)c2)[C@H](C(N)=O)C1 2310376291 WSAHXVFMVIFDQA-PWSUYJOCSA-N 304.346 1.223 10 10 DDCE CSc1ncc(CN[C@]2(C(=O)O)COC3CC2C3)s1 2349506132 VBUVGUXWFVDTMB-WZQIAMPNSA-N 300.405 1.587 10 10 DDCE COc1cccc(CNC(=O)c2cnn3ccc(C)nc23)c1O 105649716 CDNISXKKBPNEFR-UHFFFAOYSA-N 312.329 1.682 10 10 DDCE COc1cccc(CN2CCO[C@@H](c3nc(C)n[nH]3)C2)c1O 180114686 DMZQKSAOGKZAEZ-CYBMUJFWSA-N 304.350 1.401 10 10 DDCE CCOC(=O)c1sc(NN(C)S(=O)(=O)CC)nc1CC 2365338656 GMPRMUZJIJKIHW-UHFFFAOYSA-N 321.424 1.491 10 10 DDCE COc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)c(O)c1 93018201 HUXBLTDVNIARBA-HNNXBMFYSA-N 320.433 1.945 10 10 DDCE CCNCc1ccc(N(C)CC(N)=O)cc1Br 233509354 LUZYQKFLGLUFJC-UHFFFAOYSA-N 300.200 1.480 10 10 DDCE CN(Cc1cc(Br)ccc1O)C[C@H]1CNCCO1 234317975 XHOXGKOCNNNCOB-GFCCVEGCSA-N 315.211 1.575 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCN(c2ccccc2)CC1 240619045 ABRLWILEMHNNAH-UHFFFAOYSA-N 312.369 1.989 10 10 DDCE CCC[C@@H](O)CNC(=O)/C=C\c1ccc(N2CCOCC2)cc1 255108767 UCCRKMPVYXPNAA-UXHZXRBQSA-N 318.417 1.814 10 10 DDCE Cc1cc(CN2CCC[C@H](c3nc(=O)[nH][nH]3)C2)ccc1N(C)C 293570951 MXOJDMNIQQOMMI-AWEZNQCLSA-N 315.421 1.852 10 10 DDCE CCn1ncc(C(=O)OCC(=O)C(C)=O)c1-c1ccccc1 808540956 LMAZNIWHUDHPNU-UHFFFAOYSA-N 300.314 1.885 10 10 DDCE C[C@H](NC(=O)[C@H](O)C1CCC1)c1ccc(N2CCOCC2)cc1 825421215 MMVBRDVLQWVSCP-SUMWQHHRSA-N 318.417 1.861 10 10 DDCE COc1c([N+](=O)[O-])ccc(CN[C@@H]2C[C@@H](O)C23CCC3)c1O 827364547 FHDYGVDYQHYBHH-VXGBXAGGSA-N 308.334 1.702 10 10 DDCE CON1CC[C@@H](N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1=O 905753572 ATOPDOOAKDVIAM-XJKSGUPXSA-N 319.405 1.336 10 10 DDCE CN(Cc1cnnn1[C@H]1CCCNC1)c1ccc2c(c1)OCO2 903902949 PWGQKSXOAREROS-ZDUSSCGKSA-N 315.377 1.568 10 10 DDCE C[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)CN1CCCC1 588403886 BPVNBRHWHXOPID-VGVVRCBHSA-N 304.390 1.959 10 10 DDCE CCN(C(=O)C(=O)NCCc1ccc(N)cc1)C1CC(C)(C)C1 842238152 JDNSDKNVYZLLNQ-UHFFFAOYSA-N 317.433 1.965 10 10 DDCE CN(C)c1ccc(CNC(=O)NC2CC(CC(N)=O)C2)cc1F 915367258 YDGHDJMFCRRVAO-UHFFFAOYSA-N 322.384 1.345 10 10 DDCE NCCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 841932193 LTYOYCOXGYPBPP-AWEZNQCLSA-N 307.394 1.432 10 10 DDCE CN1C[C@H](CCNC(=O)N2Cc3cccc(O)c3C2)CC1=O 924762455 UENIVNQLWKZONJ-LLVKDONJSA-N 303.362 1.286 10 10 DDCE CC(C)(C)OC(=O)COCC(=O)NCc1c(O)cccc1F 928706664 UNXKBFDUEHXZIV-UHFFFAOYSA-N 313.325 1.506 10 10 DDCE Nc1ccc(CCNC(=O)C(=O)N2CCC[C@H](CCF)C2)cc1 851687401 ACWNSDCOVVXNQM-CQSZACIVSA-N 321.396 1.526 10 10 DDCE O=C(NCc1c(O)cccc1F)c1cccn(C2CC2)c1=O 928707721 BEQFAAHFLCVFSI-UHFFFAOYSA-N 302.305 1.958 10 10 DDCE O=C1NCC[C@@H]2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)[C@@H]12 922444068 VVHXNOYDQABBKR-PCFSSPOYSA-N 316.357 1.238 10 10 DDCE COc1cc(N(C)C(=O)C=C2CCNCC2)cc(OC)c1OC 852846462 HUSJWFQBYPUKBA-UHFFFAOYSA-N 320.389 1.985 10 10 DDCE CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1cn(CC)nn1 930905445 GRIGLVVDENCZTD-UHFFFAOYSA-N 315.421 1.955 10 10 DDCE COc1ccc(N(C)CCN(C)c2nc(C)nc(N)n2)cc1 865907987 BMJISGMESJCRDM-UHFFFAOYSA-N 302.382 1.343 10 10 DDCE O=C(CCCn1cncn1)NCc1ccc2cccnc2c1O 862027985 LUVRHCRDAVVBIS-UHFFFAOYSA-N 311.345 1.629 10 10 DDCE CS(=O)(=O)C[C@H]1CCCCN1Cc1c(O)cccc1F 1964593890 KKFYWLIDCXMNQK-LLVKDONJSA-N 301.383 1.930 10 10 DDCE COc1cc(Cl)cc([C@H]2C=C(C(=O)O)NC(=S)N2)c1O 76260797 CBEIPSZCRFLIQI-SSDOTTSWSA-N 314.750 1.542 10 10 DDCE COC(=O)c1cccc(CC(=O)NCc2c(O)cccc2O)c1 1178911878 QKKJFILVQADXGI-UHFFFAOYSA-N 315.325 1.743 10 10 DDCE Cc1ccccc1-n1cc(C(=O)NCc2cc(O)ccc2O)nn1 1176755646 RSFOPKKGJUCFPN-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE COc1ccc(CNCC[C@H](C)NC(=O)c2cnn[nH]2)cc1C 1268378861 BAMRUMCJISMNKB-LBPRGKRZSA-N 317.393 1.420 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cc3ncccn3n2)cc1F 1519266206 UDVSYGQTMFBIKV-UHFFFAOYSA-N 313.336 1.864 10 10 DDCE CC(=O)N1CCC(CNC(=O)Cc2ccc(O)c(O)c2)CC1 1293112087 WAZFDWSOZSYTBF-UHFFFAOYSA-N 306.362 1.015 10 10 DDCE N[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[C@H]1CO 2122345511 INBOTSROIDTENG-QPUJVOFHSA-N 305.205 1.841 10 10 DDCE O=C([C@@H]1CC(c2ccccn2)=NO1)N1Cc2cccc(O)c2C1 1558035882 PBMVXCOJJNQQGY-INIZCTEOSA-N 309.325 1.823 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2ccn(C)n2)cc1C 1491673276 HHYHFMORGJIIEN-ZDUSSCGKSA-N 316.405 1.645 10 10 DDCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1csc(C(F)(F)F)n1 1912193389 NVHJWPFJVORZEB-ZCFIWIBFSA-N 308.289 1.978 10 10 DDCE CCOCCN[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 1491693759 VVUYLDXDIYWKGK-NSHDSACASA-N 321.381 1.593 10 10 DDCE C[C@@H](NC(=O)C1CCCC1)C(=O)NCc1cc(O)ccc1O 1637122245 CFWKSCXFCUJQEI-SNVBAGLBSA-N 306.362 1.409 10 10 DDCE COC1CCN(c2ccc(CN3CCS(=O)CC3)cc2)CC1 1652456992 JZMFGZWLMBSPNL-UHFFFAOYSA-N 322.474 1.866 10 10 DDCE CCc1cccc2c1NC(=O)/C2=C1/SC(=S)N(N)C1=O 19843118 HCDUDNUIYUKZSH-CSKARUKUSA-N 305.384 1.646 10 10 DDCE COc1ccc(N2CCN(C(=O)CC[C@H]3CCCN3)CC2)cc1 324181194 PWSKSLUQTJJJMZ-OAHLLOKOSA-N 317.433 1.876 10 10 DDCE C[C@@H](N)c1ccc(N(C)[C@H]2CCNC2=O)c(Br)c1 1916798670 GMRSOZDJSQCIJT-PELKAZGASA-N 312.211 1.794 10 10 DDCE CNCc1ccc(N(C)[C@@H](C)C(=O)NC)c(Br)c1 1916839434 PVKAWKXIBOUGKR-VIFPVBQESA-N 314.227 1.739 10 10 DDCE C[C@@H](CS(=O)(=O)N(C)C)N[C@@H](C)c1cc(F)ccc1O 1967466089 QZQZHQOFDOIGET-UWVGGRQHSA-N 304.387 1.462 10 10 DDCE OC[C@@H]1CO[C@@H](CNCc2c(O)cccc2Br)C1 1967896733 XWZWUGUOMXVATB-NXEZZACHSA-N 316.195 1.642 10 10 DDCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)OCCN 1951696086 KAMFGIQEHJOQCL-CYBMUJFWSA-N 312.366 1.466 10 10 DDCE CC(C)(C)OC(=O)N[C@@]1(c2c(O)cc(O)cc2O)CCNC1 1952174353 IJAMNESDYZNIOJ-HNNXBMFYSA-N 310.350 1.517 10 10 DDCE C[C@@H]1N(Cc2ccccc2)CC[C@]1(NCCN=[N+]=[N-])C(N)=O 309864362 DZSMPMKBEFSNRA-SWLSCSKDSA-N 302.382 1.405 10 10 DDCE C[C@@H]1C[S@@](=O)CCN1c1cc2c(cc1Cl)[C@@H](N)C(=O)N2 2171962020 DVFVRQAIWVILMQ-CQDIJFMHSA-N 313.810 1.249 10 10 DDCE Oc1cccc(Br)c1CN[C@H]1CCOC[C@@H]1O 706808761 ZIZNVDKMYIUBLT-JQWIXIFHSA-N 302.168 1.394 10 10 DDCE O=C(NC1[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccc(O)c(O)c1 398265169 VVLHQGIBFSTUNJ-HUUCEWRRSA-N 324.380 1.958 10 10 DDCE O=C1CC2(CN1)CN(c1ccc(CO)cc1Br)C2 2056002429 BKUKLIZALYSOQU-UHFFFAOYSA-N 311.179 1.268 10 10 DDCE O=C1NCC[C@@H]1CNCc1cc(Br)cc(F)c1O 2075987214 KMOCHKCVOQETHX-SSDOTTSWSA-N 317.158 1.520 10 10 DDCE CSc1ncc(CNS(=O)(=O)C[C@H]2CC[C@@H](N)C2)s1 2269095154 LVMBQQILHCRBDV-DTWKUNHWSA-N 321.493 1.412 10 10 DDCE CCC[C@H]1NC(=O)[C@H](C)N(Cc2cnc(SC)s2)C1=O 2284668356 WNBBASRXIMXWOJ-WCBMZHEXSA-N 313.448 1.881 10 10 DDCE Cc1ccc(CN2CCOC[C@@H](O)C2)c(O)c1Br 2327554605 VRRWJURPTLHDLN-NSHDSACASA-N 316.195 1.656 10 10 DDCE CCCCN(CC(N)=O)c1ccc(CN)cc1Br 212927385 QBBRISDISSBWOB-UHFFFAOYSA-N 314.227 2.000 10 10 DDCE COCCN1CCCN(Cc2cc(C)c(C)cc2O)CC1=O 189300963 IMTPGWGSPZCBKE-UHFFFAOYSA-N 306.406 1.690 10 10 DDCE COc1ccc(O)c(CN2CCO[C@@H](c3nc(C)n[nH]3)C2)c1 180612542 UHUDBRHAHKPEDZ-CQSZACIVSA-N 304.350 1.401 10 10 DDCE CC[C@H](NC[C@](C)(O)CO)c1cc(Br)ccc1O 90286111 XLSGNODCVYAIBA-AAEUAGOBSA-N 318.211 1.939 10 10 DDCE Cc1ccc(C(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)c(O)c1O 280459319 IMEXWKSYPOPMTE-KRWDZBQOSA-N 321.373 1.816 10 10 DDCE CC(=O)C(=O)COC(=O)c1cnc(Oc2ccccc2)cn1 808533478 NRYYSMIIDPMZKC-UHFFFAOYSA-N 300.270 1.584 10 10 DDCE CN(C/C=C\c1ccc(N(C)C)cc1)CCNC(=O)N(C)C 835042991 NVRWJPFPIPGKOT-SREVYHEPSA-N 304.438 1.969 10 10 DDCE C[C@H]1C[C@H](C)CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1 846230167 CXBYGCFFPXZXOG-UWVGGRQHSA-N 304.350 1.611 10 10 DDCE O=C(NCc1c(O)ccc2c1CCCC2)[C@]12CNC[C@H]1COC2 846677920 SWHVRAQCDAQNOR-UGSOOPFHSA-N 316.401 1.123 10 10 DDCE C[C@@H](C(=O)NC(=O)NC1CC1)N1CCCc2cc(CN)ccc21 843349597 FRMYYRPHWWRHRD-NSHDSACASA-N 316.405 1.275 10 10 DDCE O=C(NCCCO[C@@H]1CCOC1)NCc1c(O)cccc1F 921418572 IYDDOJFIMCOFLN-LLVKDONJSA-N 312.341 1.526 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)C[C@H](N)C3CC3)C2)cc1 852844160 REHZBWJHPMKJRZ-CJNGLKHVSA-N 303.406 1.518 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CC(=O)N(CC2CC2)C1 922796273 GISKFNIUZWXULT-BPJJOFIESA-N 316.357 1.238 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@@H](O)C[C@@H]2CO)cc1Br 698227801 KOCMJHXIHCQAGB-IEBDPFPHSA-N 315.211 1.401 10 10 DDCE COc1ccc(O)c(CNC(=O)/C=C/COC2CCOCC2)c1 866767866 ZFXHPJFFAUUOFC-NSCUHMNNSA-N 321.373 1.769 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2c3n(c(=O)n2C)CCCC3)c1 862755812 ZBAXWLXOEVMKDF-UHFFFAOYSA-N 315.373 1.467 10 10 DDCE Cc1cccc(CN[C@@H]2CCN(C3CCOCC3)C2=O)c1O 776231885 PRDLFAYDSNQYHN-OAHLLOKOSA-N 304.390 1.570 10 10 DDCE C[C@H]1CO[C@@H](C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1 893608186 RVPCRLVOKGXNTG-RHSMWYFYSA-N 317.433 1.480 10 10 DDCE CN(CCCN=[N+]=[N-])C[C@@H](O)CN(C)C(=O)OC(C)(C)C 1957249840 MNUQYHOUESPXAK-LLVKDONJSA-N 301.391 1.846 10 10 DDCE COCCNC(=O)CN(C)Cc1cc(Cl)cc(Cl)c1O 133121962 PSTJQIKWDCMEAL-UHFFFAOYSA-N 321.204 1.893 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](CN)[C@H](c2cc(O)nc(O)c2)C1 1959191196 WAJWHYJFLDGPMK-MNOVXSKESA-N 309.366 1.402 10 10 DDCE CC(C)(C)OC(=O)NC1CN(C(=O)c2cccc(O)c2O)C1 1962355847 RTTKOOWJZOTKAK-UHFFFAOYSA-N 308.334 1.447 10 10 DDCE CCOC(=O)c1nnn(CCCOc2ccc(N)cc2)c1C 62430325 KQJKQQPBRQPZDX-UHFFFAOYSA-N 304.350 1.815 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCC2(C1)OCCO2 1466787982 ARZKWYZXYSYODY-LBPRGKRZSA-N 307.346 1.442 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCC(C)(C)O1 1329870310 XJDGOJFUVVDPLQ-CYBMUJFWSA-N 320.389 1.424 10 10 DDCE Oc1ccc(Br)cc1CN[C@@H]1COCC[C@H]1O 710923076 POTHCNZOBJZGFA-ZYHUDNBSSA-N 302.168 1.394 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N2CC(C)(F)C2)cc1F 1341093211 ZRKGTUGBVBEJGW-UHFFFAOYSA-N 311.332 1.078 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CCC34COC4)c(Br)cc21 2115158317 JNRAXDMZVFSCLU-LLVKDONJSA-N 324.178 1.380 10 10 DDCE CN1C[C@@H]2[C@@H](CC[C@H]2NC(=O)N2Cc3cccc(O)c3C2)C1 1521372213 FDOOPUKTYLKWPB-GZBFAFLISA-N 301.390 1.758 10 10 DDCE CC(=O)c1ncc(C(=O)NCCc2ccc(O)c(O)c2)s1 1465981209 DQKWPSRPSCMDEQ-UHFFFAOYSA-N 306.343 1.729 10 10 DDCE C=CC(=O)NCCNC(=O)c1cc2cc(O)c(O)cc2s1 1628171076 AJTAWNCVJILLBF-UHFFFAOYSA-N 306.343 1.345 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2nn(-c3cccnc3)nc2C)c1 1557553294 UHZSQIYXIURQSV-UHFFFAOYSA-N 323.356 1.915 10 10 DDCE C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nccc(N)n1 1569596591 FGJVXYYVVOMXFZ-HYYFJVDXSA-N 300.318 1.361 10 10 DDCE Nc1nnc(CC(=O)NCc2c(O)ccc3c2CCCC3)s1 1635963870 DUOWQOSEKAEMTK-UHFFFAOYSA-N 318.402 1.564 10 10 DDCE COC(=O)c1ccc(CC(=O)NCc2ccc(O)cc2O)cc1 1638352530 RPBHTHVXFGOROF-UHFFFAOYSA-N 315.325 1.743 10 10 DDCE Cn1cc(-c2nsc(NC(=O)c3cc(O)cs3)n2)cn1 1646264837 LOWSAEUPZOHAMA-UHFFFAOYSA-N 307.360 1.958 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CC[C@@H](n2cc(Cl)cn2)C1 1570046090 MFVJYXGQLFRLHA-GFCCVEGCSA-N 321.764 1.964 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cnc(C(F)(F)F)nc1 1652626524 XNVBCLGXRZTVTC-UHFFFAOYSA-N 313.235 1.837 10 10 DDCE C[C@@H](ON)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C 1951992233 FSDGKWSGJQRVPL-KOLCDFICSA-N 312.366 1.812 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NCc2ccccc2O)C1 1986128530 SFGDUKCMYUYGPV-HIFRSBDPSA-N 322.405 1.852 10 10 DDCE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)c1cc(O)c(O)c(O)c1 1988130629 LMCCRYKQUAGYDA-BDAKNGLRSA-N 324.333 1.199 10 10 DDCE CN[C@H](C)c1ccc(N2CC[C@H]2C(N)=O)cc1Br 2028927928 RZGMIVTYBCZRBG-PELKAZGASA-N 312.211 1.794 10 10 DDCE N[C@H]1C(=O)Nc2cc(N3CCC[S@](=O)CC3)c(Cl)cc21 321674416 QJUJRULCSSMIID-ODXCJYRJSA-N 313.810 1.251 10 10 DDCE CN(C)C[C@@]1(O)CCN(c2cc(Cl)c(CN)cc2F)C1 2177384256 XGBYXVBUBLYWMT-AWEZNQCLSA-N 301.793 1.441 10 10 DDCE CCN([C@H](C)CS(C)(=O)=O)[C@H](C)c1c(O)cccc1O 2170424333 HXNDUTKGEQFAHS-GHMZBOCLSA-N 301.408 1.914 10 10 DDCE COc1cc(Cl)cc(CN[C@H](C)[C@@H](C)S(C)(=O)=O)c1O 2170600574 MQZPEXJUPAOGNB-RKDXNWHRSA-N 321.826 1.965 10 10 DDCE Cn1ncc(CNCc2ccc(O)c(O)c2)c1Br 2052976562 MQSALGBZFPZMNT-UHFFFAOYSA-N 312.167 1.884 10 10 DDCE OC[C@@]1(CNCc2cccc(Br)c2O)CCCO1 2073628452 WZNSXQXMPVLARW-ZDUSSCGKSA-N 316.195 1.786 10 10 DDCE Cn1nnc(Br)c1C(=O)N[C@H]1CCC[C@@H]1N=[N+]=[N-] 2218743798 KIRQLIHFNOYMCY-WDSKDSINSA-N 314.147 1.539 10 10 DDCE [N-]=[N+]=N[C@H]1CCC[C@H]1NS(=O)(=O)C1CC2(C1)OCCO2 2252845732 VKKKQYXFXYCAOT-VHSXEESVSA-N 302.356 1.043 10 10 DDCE NCc1ccc(N2CCS(=O)(=O)C3(CCC3)C2)c(Cl)c1 2279713237 XVYXEBJJGYEESN-UHFFFAOYSA-N 314.838 1.956 10 10 DDCE C[C@H](NC=C1C(=O)NC(=S)N(C2CC2)C1=O)c1ccccc1 2296147324 YREKWSCGOZYAQQ-JTQLQIEISA-N 315.398 1.627 10 10 DDCE Cc1ccc(CNc2cnnc(=N)[nH]2)c(O)c1Br 2327592043 PNSPAPSLQPFRLR-UHFFFAOYSA-N 310.155 1.673 10 10 DDCE Cc1ccc(CN2CCC2(CO)CO)c(O)c1Br 2327800962 PDHOGMSTTDZBQT-UHFFFAOYSA-N 316.195 1.392 10 10 DDCE C[C@@H](N)c1ccc(N2C[C@H]3CS(=O)(=O)[C@H]3C2)cc1Cl 2336559046 PHJYBDDLSGMCGT-ZDMBXUJBSA-N 300.811 1.593 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)C[C@H](N)C2(C)C)s1 2347087525 RWWJYKUDAMKLRE-QPUJVOFHSA-N 301.437 1.535 10 10 DDCE CCN(CC(=O)NC)c1cc(Br)c(CN)cc1F 310629967 IHLURPVIUHCGPR-UHFFFAOYSA-N 318.190 1.619 10 10 DDCE COC(=O)c1ccccc1NC(=O)c1cc(O)c(O)c(O)c1 170190783 WYVOQSZNUTWQBI-UHFFFAOYSA-N 303.270 1.842 10 10 DDCE CS(=O)(=O)[C@H](C(=O)N1CCC[C@H](CN=[N+]=[N-])C1)C1CC1 2361143754 XYCADUCLCSLBKV-KOLCDFICSA-N 300.384 1.359 10 10 DDCE COCCN1C(=O)/C(=C/c2ccc(O)cc2)C(C(=O)OC)=C1C 35333818 JWKGOLLOYNYPLK-GXDHUFHOSA-N 317.341 1.711 10 10 DDCE COc1ccc(N(C)C[C@@H](O)COC[C@@H]2CCCO2)cc1F 131440012 PPOUUXMZQBXECX-KGLIPLIRSA-N 313.369 1.827 10 10 DDCE CN1C[C@@H](NCc2ccc(N3CCOCC3)cc2)CCC1=O 133027494 LDJUUOGREYMGSD-HNNXBMFYSA-N 303.406 1.234 10 10 DDCE COc1cc(Cl)c(N2CC[C@@H](CO)[C@@H](N)C2)c(OC)c1 2368300521 BORWXKRKAPKQMB-CABZTGNLSA-N 300.786 1.503 10 10 DDCE COC(=O)/C=C/c1ccc(N2CC[C@H](C)[C@@H](O)C2)c([N+](=O)[O-])c1 92978240 PYFCZBNXPZEDGT-RBZUQTFTSA-N 320.345 1.988 10 10 DDCE C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2O)C[C@H]1N1CCOCC1 246498948 PTZRVRWUWJIGEC-SWLSCSKDSA-N 321.377 1.453 10 10 DDCE COc1ccc(O)c([C@H](C)NC(=O)NCc2cnn(C)n2)c1 805997471 ZKKFKOPOGJAXDS-VIFPVBQESA-N 305.338 1.090 10 10 DDCE O=C(NCc1cc(Br)ccc1O)[C@@H]1COCCO1 804733663 XCMRENYAMZQMNL-NSHDSACASA-N 316.151 1.186 10 10 DDCE C[S@](=O)CC1CN(c2cc3c(cc2Cl)[C@@H](N)C(=O)N3)C1 2166650421 HOVABPGNTHKABN-ODXCJYRJSA-N 313.810 1.107 10 10 DDCE NS(=O)(=O)C[C@H]1CCCN1Cc1cc(Cl)c(F)cc1O 816511960 RCSQLTQLWSJLBS-SECBINFHSA-N 322.789 1.438 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CCC(=O)N3C)C2)cc1 824728872 RIBWMZOMCLVPPE-IUODEOHRSA-N 317.389 1.011 10 10 DDCE CO[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H]1C 828902901 DBFQEIUISVJNKX-NOZJJQNGSA-N 321.333 1.787 10 10 DDCE O[C@@H]1CCN(Cc2ccc(N3CCOCC3)cc2)CC1(F)F 826958779 TWFSHPZQFRHAFO-OAHLLOKOSA-N 312.360 1.725 10 10 DDCE COCCNC(=O)C1(NCc2cc(Cl)cc(C)c2O)CC1 839193823 WCLFMADLNXLTNB-UHFFFAOYSA-N 312.797 1.739 10 10 DDCE C/C(=C/C(=O)N[C@@H](C)c1ccccc1O)CN1CCOCC1 913763821 SIDQIEJDGXASSM-FZDNWWAKSA-N 304.390 1.848 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CSC(=O)N2)cc1 846447038 OMKNJLKQLDOHAF-ZDUSSCGKSA-N 323.418 1.415 10 10 DDCE CCOc1cccc(CN2C[C@@H](C)N(CCO)C[C@@H]2C)c1O 841892495 ZSHUWLNGZCXGJN-KGLIPLIRSA-N 308.422 1.678 10 10 DDCE COc1ccc(N2CCC(NC(=O)N[C@H](C)[C@@H](C)N)CC2)cc1 841779681 WLPPITPSSKNDIF-CHWSQXEVSA-N 320.437 1.699 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@@H](C)c2nccn2C)c1 853738585 VZOYLMPRQQXSBE-JTQLQIEISA-N 304.350 1.695 10 10 DDCE CN(C)c1ccc(CNC(=O)CN2C[C@H]3CC[C@H]2[C@@H](N)C3)cc1 852766805 KVFNVQGAGZETSP-XIRDDKMYSA-N 316.449 1.180 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)CCn3cccn3)C2)cc1 855232120 NSMMBBUXLZRCFT-CQSZACIVSA-N 314.389 1.677 10 10 DDCE Cc1ccc(O)c(CNC(=O)[C@H]2CCCN2C(=O)C(C)C)c1 862758803 LZZDDEZLPFINHU-CQSZACIVSA-N 304.390 1.964 10 10 DDCE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)Cc1ccc(F)c(F)c1O 876738966 MOQZSLLOVSDINS-RKDXNWHRSA-N 307.362 1.924 10 10 DDCE COc1ccc(O)c(CNC(=O)Nc2ccc(C(N)=O)nc2)c1 766467779 QGPNKYJBZUZIEK-UHFFFAOYSA-N 316.317 1.216 10 10 DDCE CC(=O)c1cc(F)cc(Cn2cc([C@H]3COCCN3)nn2)c1O 880996356 SNDGHLGVKOKIIH-CQSZACIVSA-N 320.324 1.035 10 10 DDCE COc1ccc(CNC(=O)C(C)(C)n2cnc(C)c2)c(O)c1 897628420 CIYPNJAIXUJZRA-UHFFFAOYSA-N 303.362 1.957 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccc2c(c1)OCC(=O)N2 1141967212 RXCCWGIHBNIQJA-UHFFFAOYSA-N 314.297 1.610 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(CN(C)C)on1 1333468906 ACTQZOGKIGMKMN-UHFFFAOYSA-N 324.377 1.858 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NC[C@H]1CC2(CCOCC2)CO1 1152023906 XVOLFXJYRXVPQN-CYBMUJFWSA-N 321.373 1.342 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCc2ccccc2[C@H]1CO 1153011962 MCCDKYBFHBLCEV-OAHLLOKOSA-N 313.353 1.759 10 10 DDCE COC[C@H](C)S(=O)(=O)N(Cc1ccc(N)cc1)C(C)C 399623931 NPFBBPVQALMQJY-LBPRGKRZSA-N 300.424 1.844 10 10 DDCE CCCOc1cc(N(CC)CCS(C)(=O)=O)ccc1N 688517765 KUQDJXIIGOMSBI-UHFFFAOYSA-N 300.424 1.929 10 10 DDCE CN[C@H](C)c1ccc(N(C)CCCS(C)(=O)=O)c(F)c1 694153405 FWZYKDAAPGJQJY-LLVKDONJSA-N 302.415 1.977 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)[C@@H]2C[C@H]2C)cc1C 1283791986 IZYIGQQOXGQYLB-KCPJHIHWSA-N 306.406 1.226 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H](O)C(C)(C)O 1463804448 FUAYJOBWMJIALK-OAHLLOKOSA-N 306.406 1.377 10 10 DDCE C[C@@H](NC(=O)/C=C/c1ccc(C(N)=O)o1)c1ccccc1O 1471196403 ZVGAADWJZKTVHK-TTZKWOQHSA-N 300.314 1.975 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1csc(-c2ncc[nH]2)n1 1630273663 SEHWUVZNTXPANO-UHFFFAOYSA-N 316.342 1.874 10 10 DDCE COc1ccc(CNC(=O)c2ncccc2NC(C)=O)c(O)c1 1639458762 GMKTWMGWJPBKPP-UHFFFAOYSA-N 315.329 1.684 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC(Cn2cncn2)CC1 1639154194 UQINKQUWYIHWQB-UHFFFAOYSA-N 316.361 1.171 10 10 DDCE Cc1csc(=O)n1CCC(=O)NCc1cc(O)ccc1O 1643879163 CYYGRUKTFPXGNV-UHFFFAOYSA-N 308.359 1.336 10 10 DDCE O=C(NCc1cc(O)ccc1O)C(F)(F)C1(O)CCCC1 1643881953 LRLQNNKZCGOQAP-UHFFFAOYSA-N 301.289 1.654 10 10 DDCE CCOC(=O)CCN(C(=O)Cc1ccc(O)c(O)c1)C1CC1 1597334534 QIAXOJQBLYDKHZ-UHFFFAOYSA-N 307.346 1.585 10 10 DDCE COc1ccc(NC(=O)CN2C(=O)[C@H](C)SC2=S)cc1 11635367 LFSRASNFKSLQQM-QMMMGPOBSA-N 310.400 1.883 10 10 DDCE CC(=O)NN1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S 206295732 ORPMUQYYKJWVIN-MDZDMXLPSA-N 319.367 1.261 10 10 DDCE Cc1nc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(=O)[nH]c1C 155163669 NUAFBWBDWBKHLX-UHFFFAOYSA-N 318.352 1.522 10 10 DDCE CCOc1cccc(CNCCC(=O)NCCCC(=O)O)c1O 1857859882 LNLFDQDJMTXIRR-UHFFFAOYSA-N 324.377 1.252 10 10 DDCE Cc1cc(=O)c(O[C@H](C)C(N)=O)cn1Cc1ccc(N)cc1 1857915084 FUMQHQRRKQWTID-LLVKDONJSA-N 301.346 1.040 10 10 DDCE CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2cc(O)nc(O)c2)C1 1952222999 YUPOAVVEAIYLBC-VHSXEESVSA-N 324.333 1.528 10 10 DDCE O=C(O)c1cc(NS(=O)(=O)CC2CC(F)C2)ccc1O 2148918533 APAHOECVZMQIIS-UHFFFAOYSA-N 303.311 1.580 10 10 DDCE C[C@H](N)c1ccc(N2CCS(=O)(=O)[C@H](C)C2)c(Cl)c1 707153898 ZEUDVIQUYYGFGJ-ZJUUUORDSA-N 302.827 1.983 10 10 DDCE CNCc1ccc(N2CCS(=O)(=O)[C@H](C)C2)c(Cl)c1 707143976 ZOHYNKFEZWAERA-SNVBAGLBSA-N 302.827 1.683 10 10 DDCE C[C@@H](CS(C)(=O)=O)N(C)c1c(F)cc([C@@H](C)O)cc1F 2194510232 JHSTWBXJVHWOSU-DTWKUNHWSA-N 307.362 1.887 10 10 DDCE CN(CCCN=[N+]=[N-])C(=O)[C@]12CCC[C@H]1CS(=O)(=O)C2 2201863127 PYAWJBHFSGPCJA-JQWIXIFHSA-N 300.384 1.360 10 10 DDCE CC(C)(C)OC(=O)Nc1ccc(COc2nnc(=N)[nH]n2)cc1 2210652953 CLQHHTTTYUNPIO-UHFFFAOYSA-N 318.337 1.605 10 10 DDCE COc1cc(N(CCS(C)(=O)=O)C(C)C)ccc1CN 2204550162 MUSPLZCSYBODLO-UHFFFAOYSA-N 300.424 1.413 10 10 DDCE CCOC(=O)CCS(=O)(=O)Nc1c(C)cc(O)cc1C 2239631320 GAUNUMNTXFEQPF-UHFFFAOYSA-N 301.364 1.704 10 10 DDCE CSc1ncc(CNC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)s1 2284504264 LAVJUGDHNDJBAU-BRPSZJMVSA-N 313.404 1.337 10 10 DDCE O=C1C(=Cc2ccc(O)c(O)c2)SC(=S)N1CCCO 2294874453 DLIMYYSNAWLSNF-UHFFFAOYSA-N 311.384 1.681 10 10 DDCE CNCc1ccc(N2C[C@@H]3CS(=O)(=O)[C@H]3C2)cc1Cl 2336560491 GQEQUGWJZPFZMV-MFKMUULPSA-N 300.811 1.293 10 10 DDCE O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cccc(O)c1O 185677909 XRCOHXIBXJDHNT-LLVKDONJSA-N 314.345 1.287 10 10 DDCE O=C(O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCS1 70435977 YWFWPWCCKIGTPM-CABZTGNLSA-N 311.359 1.105 10 10 DDCE COc1cccc(CN2CCC[C@H](Cn3cncn3)C2)c1O 128470954 QBTYUSBGKBVXCT-ZDUSSCGKSA-N 302.378 1.905 10 10 DDCE CN[C@H]1C(=O)Nc2cc(N3CC[C@@H](CCO)C3)c(Cl)cc21 229184828 VLPGXZLHFOKALK-LKFCYVNXSA-N 309.797 1.761 10 10 DDCE O=C(O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(O)cc2O)C1 86764071 UKLPFQLVSNELRO-GFCCVEGCSA-N 305.252 1.937 10 10 DDCE CC(C)Oc1ccc(N(C)C[C@@H](O)CN2CCOCC2)cc1 191599777 ZSVIKDROQKDGHA-MRXNPFEDSA-N 308.422 1.603 10 10 DDCE COC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)C[C@H](C)O1 252005527 WZVNZIPVJYPAIP-HZMBPMFUSA-N 311.353 1.970 10 10 DDCE COc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H]3C(=O)O)CC2)cc1 397286399 GTURDGDVRDIXFZ-HUUCEWRRSA-N 318.373 1.455 10 10 DDCE CC[S@@](=O)CCNC(=O)NCc1ccc(N2CCCC2)cc1 735098578 WIAUQRUTUPETCG-JOCHJYFZSA-N 323.462 1.855 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)/C=C\Cn2cncn2)c1 901127164 JTBWLAXBPJDBMM-DLRQAJBASA-N 302.334 1.426 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)N1CC[C@H](N2CCC2)[C@@H](F)C1 834592328 LYOGPCCTCZTJEX-DWMAKUKJSA-N 320.364 1.756 10 10 DDCE Cc1cc(N(C)C)ccc1CN1C[C@H](C)N(CCO)C[C@@H]1C 841891636 NPDDHANBKIBQKQ-HOTGVXAUSA-N 305.466 1.948 10 10 DDCE C[C@@H]1NCC[C@@H](C)[C@H]1NCc1ccc(N2CCOCC2)cc1 923369880 MZPDMLNBKQARNG-RVKKMQEKSA-N 303.450 1.999 10 10 DDCE COC[C@@](C)(O)CCNCc1cc(F)c(N(C)C)cc1F 858169825 DQGIEQAZNGUAGY-HNNXBMFYSA-N 302.365 1.908 10 10 DDCE CN(C)c1ccc(CNC(=O)N2CCSC[C@H]2CCO)cc1 759697068 PLASWLZAPPXGMI-OAHLLOKOSA-N 323.462 1.762 10 10 DDCE CN(C)c1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cn1 867690218 DAVMOHKIBILBNF-UHFFFAOYSA-N 319.386 1.558 10 10 DDCE O=C(NCc1cccc(Br)c1O)c1ccnnc1 765750208 BTRUYCPQPQOCRL-UHFFFAOYSA-N 308.135 1.875 10 10 DDCE CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CC23CCCC3)c1 760585862 ZFKUUZJHZDLPAE-ZDUSSCGKSA-N 324.402 1.826 10 10 DDCE O=C1C[C@H](C(=O)N2Cc3cccc(O)c3C2)[C@H]2CCCC[C@@H]2N1 871204047 BHAUCFJOZBDZNL-IPYPFGDCSA-N 314.385 1.929 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Cc1cnn(C)c1 1138153028 WJYCMEORXXIFGV-NEPJUHHUSA-N 317.389 1.757 10 10 DDCE Cc1ccc(O)c(CNC(=O)COc2ccc(C(N)=O)cc2)c1 1301047035 QJCQWMPFQOPSPS-UHFFFAOYSA-N 314.341 1.495 10 10 DDCE COC[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H]1CCCOC1 1178048691 WGXIOVQGIJRRTC-OLZOCXBDSA-N 309.362 1.198 10 10 DDCE CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC[C@@H]2C[C@H]12 1327652897 QBYZAHWLTHEQBU-IPYPFGDCSA-N 316.401 1.903 10 10 DDCE 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VNDMAQZMDCHDLP-UHFFFAOYSA-N 301.726 1.340 10 10 DDCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H]1COC[C@@H]1O 1977930330 URSBWPBCCSLTMT-GJZGRUSLSA-N 322.405 1.907 10 10 DDCE N[C@@H]1C[C@H](O)CN(Cc2ccc(Br)cc2O)C1 2002695774 JWPVFQLCQBIUMS-MNOVXSKESA-N 301.184 1.049 10 10 DDCE COC[C@@H]1CNCCN1Cc1cc(Br)ccc1O 2028148182 UCFSFWBVHBACFH-LBPRGKRZSA-N 315.211 1.575 10 10 DDCE CN[C@H](C)c1ccc(N2CC[C@H]2C(N)=O)c(Br)c1 2028926846 KKBZNVNWBLZFQC-PELKAZGASA-N 312.211 1.794 10 10 DDCE CO[C@H]1C[C@H](CN)N(Cc2ccc(Br)cc2O)C1 2030289449 YUMWBCOVTXVSDP-NEPJUHHUSA-N 315.211 1.703 10 10 DDCE CN[C@@H](C)c1ccc(N2CC(NS(C)(=O)=O)C2)c(Cl)c1 705528334 SREAARLXHPKHBM-VIFPVBQESA-N 317.842 1.358 10 10 DDCE Oc1c(Br)cccc1CN[C@H]1COCC[C@@H]1O 710920278 GCWKMGPEKBHEEY-QWRGUYRKSA-N 302.168 1.394 10 10 DDCE Cc1cc(O)n2ncc(C(=O)NC3CC4(CO[C@H](C)C4)C3)c2n1 2064056710 HURBWLAUGUINOT-VHTNMKBUSA-N 316.361 1.431 10 10 DDCE CN1C[C@H](C(=O)N2Cc3cccc(O)c3C2)[C@@H](C(F)(F)F)C1 2065188584 RQRCYRPMTDKMSN-RYUDHWBXSA-N 314.307 1.975 10 10 DDCE CCNC(=O)c1cnn([C@@H](C)c2cc(OC)ccc2O)c1O 2070485883 ZIWVWTKROYMECY-VIFPVBQESA-N 305.334 1.662 10 10 DDCE CCCS(=O)(=O)C[C@@H](C)NCc1ccc(OC)cc1O 2170591701 PJVRDWLMOSMDPL-LLVKDONJSA-N 301.408 1.704 10 10 DDCE CCCO[C@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@H]1CN=[N+]=[N-] 2179603733 NJMNINAQHZMCSM-SRVKXCTJSA-N 302.400 1.353 10 10 DDCE CN(C[C@@H]1CCS(=O)(=O)C1)c1ccc(CO)cc1Cl 2092344706 BCKOFGPMXGSHTK-NSHDSACASA-N 303.811 1.703 10 10 DDCE Oc1ccc(Br)cc1CNCCN1CCCO1 2213547019 FEOOTYPVGIOZFB-UHFFFAOYSA-N 301.184 1.882 10 10 DDCE COCCS(=O)(=O)CCN[C@H](C)c1ccc(C)cc1O 2204669353 WCEKVHBDEQWIDH-GFCCVEGCSA-N 301.408 1.412 10 10 DDCE CSc1ncc(CNC[C@]23C[C@](C(=O)O)(CO2)C3)s1 2269123841 MAVLHZYVPFBFDQ-HAQNSBGRSA-N 300.405 1.588 10 10 DDCE O=C(NCc1conc1Br)c1cc(O)nc(O)c1 2222951112 CIUIPMLUNFJMFP-UHFFFAOYSA-N 314.095 1.173 10 10 DDCE O=C(O[C@H]1CCN(Cc2ccccc2)C1)c1cc(O)nc(O)c1 2244811868 WJOQLYKSIMLRKQ-AWEZNQCLSA-N 314.341 1.924 10 10 DDCE C[C@@H](O)CN1CCN(C(=O)C=Cc2ccc(O)c(O)c2)C[C@H]1C 2307987806 MLKONWFVADXDAF-CHWSQXEVSA-N 320.389 1.025 10 10 DDCE CN1C(=O)C(=Cc2ccc(N3CCOCC3)o2)SC1=S 2314646562 CMGXVEJOIKLRKT-UHFFFAOYSA-N 310.400 1.947 10 10 DDCE CN1C(=O)C(=CNCCCOC2CCCCC2)C(=O)N(C)C1=O 52536832 DDCNXHQKGPQYSM-UHFFFAOYSA-N 323.393 1.250 10 10 DDCE COc1cc(N(C)CC(=O)NCC2CC2)cc(OC)c1OC 172896155 BTZNYHHYSBYVQY-UHFFFAOYSA-N 308.378 1.675 10 10 DDCE O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 34372453 HALPOMGHOVRFIX-XFFZJAGNSA-N 317.232 1.788 10 10 DDCE NC(=O)CN(Cc1ccc(N)cc1)Cc1ccncc1Cl 88781909 NSKQEHVQAKDQIK-UHFFFAOYSA-N 304.781 1.805 10 10 DDCE CS(=O)(=O)[C@@H]1CC[C@@H](S(=O)(=O)Cc2ccc(N)cc2)C1 2367856915 WKEZSSRNETXIKC-CHWSQXEVSA-N 317.432 1.149 10 10 DDCE COc1cc(Cl)c(N2CCC(O)(CO)CC2)c(OC)c1 2368299752 SWYKAKFNAMOUMH-UHFFFAOYSA-N 301.770 1.681 10 10 DDCE COC(=O)/C=C/c1ccc(N(C)CCN(C)C)c([N+](=O)[O-])c1 80685111 NEMFBOITUJKMPR-SOFGYWHQSA-N 307.350 1.779 10 10 DDCE CCOc1ccc(N2CCN(C(=O)NCCOC)CC2)cc1 243793733 QMGMGAYICSLKCO-UHFFFAOYSA-N 307.394 1.563 10 10 DDCE c1cc(N2CCOCC2)ccc1CN1CCN2CCOC[C@H]2C1 368285312 URLCMLRLQSVQCE-GOSISDBHSA-N 317.433 1.040 10 10 DDCE C[C@@H]1CN(Cc2ccc(Br)cc2O)CC(=O)N1C 825778913 DMSAHNSYGLVLPM-SECBINFHSA-N 313.195 1.817 10 10 DDCE CC[C@@H]1CO[C@H](C)CN1Cc1cc(O)n2ncc(C(=O)O)c2n1 846228805 DXLITRSBUOTVKJ-MWLCHTKSSA-N 320.349 1.132 10 10 DDCE COC(=O)CCNC(=O)CCNCc1ccc2c(c1)CCCO2 922295331 XRPZVRDNTQIBHP-UHFFFAOYSA-N 320.389 1.171 10 10 DDCE c1cc2c(cc1CNC1CCC(N3CCNCC3)CC1)CCO2 841087370 LVXSWERMYHBBDG-UHFFFAOYSA-N 315.461 1.928 10 10 DDCE COC(=O)/C=C\c1ccc(N(C)C[C@@H](O)C2CC2)c([N+](=O)[O-])c1 751110595 BTAHSEYHIBSPBG-UFRMUOTOSA-N 320.345 1.988 10 10 DDCE CC1(C)CN(Cc2c(O)ccc3ccncc23)CCS1(=O)=O 756885699 MBHKWVKRVKNLGL-UHFFFAOYSA-N 320.414 1.949 10 10 DDCE Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@@H](C)n3ncnc32)c1 858602631 FCXKBCKONYFIHP-PWSUYJOCSA-N 301.350 1.797 10 10 DDCE COC(=O)N(C)CCN(C)C(=O)/C=C/c1ccc(O)c(O)c1 855886778 YYSALKBPPRPARE-FNORWQNLSA-N 308.334 1.268 10 10 DDCE COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3OC)CC2)cc1 931578457 VJJHZIYWCYTORB-HZPDHXFCSA-N 304.390 1.815 10 10 DDCE O=C(CN1CSCC1=O)NCc1ccc2cccnc2c1O 862029548 YJOWCMGIFSCEMS-UHFFFAOYSA-N 317.370 1.090 10 10 DDCE Oc1ccc(F)cc1CNCCn1ncc(Br)n1 1875997686 GLOXHWMVNMBCDD-UHFFFAOYSA-N 315.146 1.675 10 10 DDCE CN1CCN(c2ccc(CN[C@H]3CCCN(C)C3)cc2)CC1 771825180 YTAIKNRSBRDDMI-KRWDZBQOSA-N 302.466 1.622 10 10 DDCE CCN1CC[C@H]2OCCN(Cc3cc(F)cc(F)c3O)[C@H]2C1 894857985 UUJPUCAMUYFTNC-LSDHHAIUSA-N 312.360 1.965 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H](C)CO3)C2)cc1 892686121 RKWDYTVWLGFVLM-XEZPLFJOSA-N 304.390 1.815 10 10 DDCE O=C(CC[C@H]1CC[C@@H](C2OCCO2)O1)NCc1ccccc1O 896015003 GMWFFQBVKIOMPB-HIFRSBDPSA-N 321.373 1.709 10 10 DDCE CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)c2cc(O)cs2)n1 1146864587 FZOZUJSNNWTDRK-ZCFIWIBFSA-N 310.335 1.240 10 10 DDCE COc1cnc(C(=O)NCCc2ccc(O)c(O)c2)c(F)c1 1150487286 DMNGZOLSJPRHKQ-UHFFFAOYSA-N 306.293 1.613 10 10 DDCE Cn1c(O)nnc1CNCc1cccc(Br)c1O 692215940 UITKCIMYICCKCO-UHFFFAOYSA-N 313.155 1.279 10 10 DDCE CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2[C@H]3CCC[C@H]32)cc1 1321419582 IOMSEAYCBKBLNP-QDMKHBRRSA-N 301.390 1.284 10 10 DDCE CN(C(=O)/C=C/c1cn(C)cn1)c1ccc(C(F)(F)F)nn1 1524727149 MYLCBNWRFIVVKW-ZZXKWVIFSA-N 311.267 1.905 10 10 DDCE CC(C)(C)C(=O)NCCCC(=O)NCc1cccc(O)c1O 1528771719 VPBLLXVDASKAMC-UHFFFAOYSA-N 308.378 1.657 10 10 DDCE O=C(NCc1ccc(O)cc1O)c1cn(-c2ccccc2)nn1 1469160871 VWUKLXPDDRVGPN-UHFFFAOYSA-N 310.313 1.609 10 10 DDCE CN(C)C(=O)/C=C\C(=O)N1CCOc2cc(N(C)C)ccc21 1465408605 GVRIRGPCYJYRDR-FPLPWBNLSA-N 303.362 1.122 10 10 DDCE O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1Cc2cccc(O)c2C1 1632709461 XZXSQFPJIHDDFF-UHFFFAOYSA-N 323.308 1.078 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NC[C@@]2(O)CCSC2)cc1 1635243949 OWTMBQXVFJOMEX-ZDUSSCGKSA-N 308.363 1.447 10 10 DDCE CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1nc(C2CC2)n[nH]1 1634944125 KVVBAOQTHVGPPU-UHFFFAOYSA-N 321.377 1.732 10 10 DDCE Cc1cc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc(O)n1 1630340019 RNHIKQBVVKQCJH-HWKANZROSA-N 300.314 1.836 10 10 DDCE CN1Cc2ccccc2[C@@H]1CNC(=O)Cc1ccc(O)c(O)c1 1635901021 GXDWWQGPANDFIJ-HNNXBMFYSA-N 312.369 1.943 10 10 DDCE C[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1O 1635793703 DLQGDXGSKUHRKU-GFCCVEGCSA-N 323.352 1.980 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)NCC2CC3(C2)OCCO3)cc1 1595100076 SJKMLTVXUILEMD-UHFFFAOYSA-N 318.333 1.732 10 10 DDCE O=C1NC[C@H](C(=O)NCc2ccc(O)c(O)c2)c2ccccc21 1595595715 JOYANRVFPYCROW-ZDUSSCGKSA-N 312.325 1.241 10 10 DDCE CN(C)[C@@H]1COC[C@H]1NCc1cccc(Br)c1O 1921748653 BMJNGQJIZTVLSK-VXGBXAGGSA-N 315.211 1.573 10 10 DDCE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NCc1ccc(N)cc1 1939201531 ZMVURVFQFRTVOQ-ZFWWWQNUSA-N 321.421 1.898 10 10 DDCE O=S1(=O)C[C@H]2CC(NCc3cccc(Cl)c3O)C[C@@H]2C1 1974483014 GSVZJCOMXBQCLD-GHMZBOCLSA-N 315.822 1.958 10 10 DDCE CC(C)(C)OC(=O)NCc1cc(C(=O)NCCCN=[N+]=[N-])n[nH]1 1985103171 REVQKVZODZSIJS-UHFFFAOYSA-N 323.357 1.865 10 10 DDCE C[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1 1988088688 HAPAQHJYPJOULY-LLVKDONJSA-N 317.341 1.827 10 10 DDCE C[C@@H](N)CN(Cc1ccccc1)C(=O)c1cc(O)c(O)c(O)c1 1988122272 DEIBJXHKCCIWLE-LLVKDONJSA-N 316.357 1.793 10 10 DDCE Cc1cn(CCNCc2c(O)cccc2Br)nn1 2033272820 HPSXKQSZKSKHKR-UHFFFAOYSA-N 311.183 1.844 10 10 DDCE COC(=O)C=Cc1ccc(N(CCO)CC2CC2)c([N+](=O)[O-])c1 2053578020 KSLAKDDOZOOQRL-UHFFFAOYSA-N 320.345 1.990 10 10 DDCE Nc1ccc(CS(=O)(=O)Nc2nc(Cl)ncc2F)cc1 380785211 GYEGTWLFHKAYNH-UHFFFAOYSA-N 316.745 1.793 10 10 DDCE NCc1cc(F)c(N2CCC[C@H](OCCO)C2)cc1Cl 2177382342 ZHUJJYHPZSFRII-NSHDSACASA-N 302.777 1.916 10 10 DDCE C[C@]1(C(F)F)C[C@H]1CNS(=O)(=O)Cc1ccc(N)cc1 2177405979 BTSBQFKZAAZZSW-GWCFXTLKSA-N 304.362 1.980 10 10 DDCE NC(=O)[C@@H]1CCC[C@@H]1NCc1c(O)cccc1Br 2053777132 LLYMFZDHKYPOCA-KCJUWKMLSA-N 313.195 1.898 10 10 DDCE CO[C@H]1COC[C@H]1N(C)c1ccc(CO)c(Br)c1 2057136613 BNDUSVGUJSIYTA-OLZOCXBDSA-N 316.195 1.791 10 10 DDCE Nc1ccc(OCC(=O)N2CCC(C3OCCO3)CC2)cc1 2089592537 WUNIKZRXRBXYQR-UHFFFAOYSA-N 306.362 1.259 10 10 DDCE COCC(COC)S(=O)(=O)Nc1c(C)cc(O)cc1C 2239743410 LYTBNKCDFCPQOP-UHFFFAOYSA-N 303.380 1.412 10 10 DDCE CC[C@]1(NCc2ccc(Br)cc2O)CCNC1=O 2260430577 FDRCKIZLQQGCQF-ZDUSSCGKSA-N 313.195 1.913 10 10 DDCE CC[C@@]1(NCc2ccc(Br)cc2O)CCNC1=O 2260430576 FDRCKIZLQQGCQF-CYBMUJFWSA-N 313.195 1.913 10 10 DDCE COC1CN(CCNCc2cc(Br)ccc2O)C1 2317707319 GENBJNHSARIYIF-UHFFFAOYSA-N 315.211 1.575 10 10 DDCE Cc1ccc(CN2C(=O)N[C@@H](C)C2=O)c(O)c1Br 2327630907 NAUWELLRQQWRBN-ZETCQYMHSA-N 313.151 1.903 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCC[C@@H]2CN2CCOCC2)c1 173690643 KYSFCIZYCRRYAF-OAHLLOKOSA-N 321.377 1.597 10 10 DDCE CN[C@H]1C(=O)Nc2cc(N(C)CCO)c(Br)cc21 118589951 YSTZDBQXKJLKOA-LLVKDONJSA-N 314.183 1.090 10 10 DDCE COC[C@@H](C)C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 177288570 HRPNNALFKVPIAT-GFCCVEGCSA-N 310.369 1.765 10 10 DDCE CCCc1nc(NN(C)S(=O)(=O)C2CC2)sc1C(=O)O 2365273035 XLRCAWPQXUEJKT-UHFFFAOYSA-N 319.408 1.545 10 10 DDCE C[C@@H]1CCS(=O)(=O)CCN1Cc1cc([N+](=O)[O-])ccc1O 192058755 UHPWFNGNRIPCMU-SNVBAGLBSA-N 314.363 1.309 10 10 DDCE COc1cc(Cl)c(N2CC[C@H](O)[C@@H](CO)C2)c(OC)c1 2368104797 BITJSSXKHHKJTP-SKDRFNHKSA-N 301.770 1.537 10 10 DDCE COCCNCc1ccc(N(C)CCO)c(Br)c1 234648266 CGINEMNGCXSMNT-UHFFFAOYSA-N 317.227 1.614 10 10 DDCE CCOc1ccc(O)c(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1 377837274 KUDMPHAXGLCNII-NJZAAPMLSA-N 304.390 1.890 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 376074993 KLSHPUWQLKNJIC-LEWSCRJBSA-N 315.373 1.682 10 10 DDCE CC(=O)Nc1ccc(S[C@H](C)C(=O)OCC(=O)C(C)=O)cc1 808505792 AXEWHLRPZSYOTM-SNVBAGLBSA-N 323.370 1.827 10 10 DDCE CN(C)c1ccc([C@@H](N)CN[C@H]2CCC(=O)NC2(C)C)cc1 817942526 PKAKFNIKVVHFLN-GJZGRUSLSA-N 304.438 1.399 10 10 DDCE CO[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CCOC1 824669375 KHKIPQMYVVBEKO-WFASDCNBSA-N 310.369 1.559 10 10 DDCE C[C@H]1CS(=O)(=O)CCN1C/C=C\c1ccc(N(C)C)cc1 835026631 WRIZXZCVPLWLBZ-WSNITJDQSA-N 308.447 1.885 10 10 DDCE COc1ccc(N2CCN(CCNCc3cn[nH]c3)CC2)cc1 749914994 DVBBLUSRHLDCJA-UHFFFAOYSA-N 315.421 1.330 10 10 DDCE COc1cccc(CN2CC[C@H](Nc3ncccn3)C2)c1O 843414869 DEIUJBSZSCXBJG-ZDUSSCGKSA-N 300.362 1.877 10 10 DDCE CCON(C)C(=O)CNCc1cc(Br)ccc1O 846062817 NPRMSAIZHACMLQ-UHFFFAOYSA-N 317.183 1.654 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)c2nnn(C)c2C)cc1 844853904 GBNVWZUQJILLHY-UHFFFAOYSA-N 317.393 1.341 10 10 DDCE CCOc1ccc(O)c(CN2CCN(c3nncn3C)CC2)c1 848925250 QVRJHVTYZHEUEV-UHFFFAOYSA-N 317.393 1.242 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@]1(C(=O)OC(C)(C)C)CC=CCC1 845430633 NRKVCKWUPNOQFA-MRXNPFEDSA-N 310.346 1.756 10 10 DDCE COCCOC[C@@H](C)NC(=O)NCc1c(O)cccc1F 920487596 GCWPDBACDZKJGK-SNVBAGLBSA-N 300.330 1.382 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3ccc(O)nn3)C2)cc1 855229217 LEQGWVDSLQBJSP-NSHDSACASA-N 314.345 1.200 10 10 DDCE O=C1[C@@H](NCc2cc([N+](=O)[O-])ccc2O)CCN1C1CCC1 858342859 QNRGWCGWIUDLKM-ZDUSSCGKSA-N 305.334 1.543 10 10 DDCE COc1ccc(N2CCC(N[C@H]3C[C@H](C(N)=O)C3)CC2)cc1 858246802 GGWSEMIDWRDMQA-MQMHXKEQSA-N 303.406 1.518 10 10 DDCE CCS(=O)(=O)C1(CNC(=O)NCc2ccccc2O)CC1 852649491 MOIDFFFHWAXYFQ-UHFFFAOYSA-N 312.391 1.159 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NCC3(O)CCC3)C2)cc1 854299225 GRHKSZZEVYKYGH-CYBMUJFWSA-N 319.405 1.488 10 10 DDCE COCCOCCOCCN1CCOc2cc(N(C)C)ccc21 930125390 CPKGZPYFRFTBND-UHFFFAOYSA-N 324.421 1.631 10 10 DDCE Cc1ccc(O)c(CNC(=O)NCc2noc(C3CC3)n2)c1 858333196 YSRHRSFMDJWMTK-UHFFFAOYSA-N 302.334 1.960 10 10 DDCE CN(C)c1ccc(CN(C(=O)CCc2nn[nH]n2)C2CC2)cc1 864786076 MRSQEOOHRCLQIQ-UHFFFAOYSA-N 314.393 1.390 10 10 DDCE C[C@@H](O)[C@H]1CN(Cc2c(O)cccc2Br)CCO1 862394899 SJNKZVUVJMSYMN-NOZJJQNGSA-N 316.195 1.736 10 10 DDCE COc1ccc(O)c(CNC(=O)[C@@H]2CCn3cc(C)nc3C2)c1 860242192 QYSXOTOKFGUVPN-GFCCVEGCSA-N 315.373 1.785 10 10 DDCE Cc1ccc(C(=O)NC2(c3nn[nH]n3)CCCC2)c(O)c1O 780944479 AXIJYDMMQJRSDQ-UHFFFAOYSA-N 303.322 1.119 10 10 DDCE COc1cc(C)cc(CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1O 895417910 INAFFNFYRHUFGN-IRXDYDNUSA-N 318.373 1.194 10 10 DDCE CC1=CC(C(=O)Nc2ccnc3cc(C)nn23)=S=C1C=O 1630445488 UOVCJBQLJXCNJG-UHFFFAOYSA-N 300.343 1.213 10 10 DDCE O=C(O)C=Cc1cc(F)c(N2CCS(=O)CC2)c(F)c1 1911951199 PUPOPVYRWVZYTM-UHFFFAOYSA-N 301.314 1.631 10 10 DDCE CC(C)C[C@@]1(C(=O)NCc2cc(O)ccc2O)CCNC1=O 1637129596 LTMKEUUSBKZYQQ-INIZCTEOSA-N 306.362 1.266 10 10 DDCE CC(C)[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1nncn1C 1635047691 PBUZEVAMDXTNKS-CQSZACIVSA-N 304.350 1.282 10 10 DDCE CC(C)(O)c1cnc(NC(=O)Cc2ccc(O)c(O)c2)s1 1641892089 VHALPYUPZZCMMA-UHFFFAOYSA-N 308.359 1.963 10 10 DDCE COC[C@H](C)C(=O)N[C@H](C)CNCc1ccc(OC)c(C)c1 1732948583 QSRGRBNYDQDBNY-UONOGXRCSA-N 308.422 1.880 10 10 DDCE CCN1CC[C@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 1597089906 KIUIECOFXDXHGW-HOTGVXAUSA-N 318.417 1.994 10 10 DDCE CCOC(=O)NS(=O)(=O)N(Cc1ccc(N)cc1)C1CC1 162759419 ZGVPOKVPAIWPSY-UHFFFAOYSA-N 313.379 1.224 10 10 DDCE CN(C)c1ccc(CNCCC(=O)NC[C@@H]2CCCO2)cc1 1857858805 IBVNBFHBPTVGAV-INIZCTEOSA-N 305.422 1.528 10 10 DDCE CC(C)(C)OC(=O)NC1CC(O)(CNCc2ccc(N)cc2)C1 1978177388 NPSMMAGKDVGNAP-UHFFFAOYSA-N 321.421 1.777 10 10 DDCE NCc1ccc(N2CC(F)(CO)C2)c(F)c1Br 2005098240 QPAGOMZUEHKBFC-UHFFFAOYSA-N 307.138 1.568 10 10 DDCE COc1ccc(N(C)CCS(=O)(=O)CCC(=O)O)cc1 2145530428 FITPLDUZIFJZAR-UHFFFAOYSA-N 301.364 1.021 10 10 DDCE Cc1cccc(CN[C@H](CNC(=O)OC(C)(C)C)C(=O)O)c1O 1994451774 PWMDCFNMNMDFJH-GFCCVEGCSA-N 324.377 1.768 10 10 DDCE CCNCCS(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 2152905330 VMDZAWPUOPDBLZ-UHFFFAOYSA-N 312.313 1.762 10 10 DDCE OCC1(NCc2cccc(Br)c2O)CC(O)C1 2018278440 KMJQYQFPSSUGHG-UHFFFAOYSA-N 302.168 1.130 10 10 DDCE OCc1ccc(N2C[C@@H]3OCCO[C@@H]3C2)cc1Br 2032417164 WSOIKNGAQBUHOM-BETUJISGSA-N 314.179 1.545 10 10 DDCE CN(C)CCN(CCO)c1ccc(CN)c(Br)c1 2038025637 DPTYYFSZNKAETL-UHFFFAOYSA-N 316.243 1.268 10 10 DDCE C[C@H](N)[C@@H]1CN(Cc2ccc(Br)cc2O)CCO1 691488820 DIXURCRGOIMJCA-ZANVPECISA-N 315.211 1.703 10 10 DDCE C[C@@H](NCc1cc(Br)cc(F)c1O)[C@@H](O)CO 715716553 GVTISRDTMIABGS-LDWIPMOCSA-N 308.147 1.125 10 10 DDCE CCOC(=O)CCCS(=O)(=O)Nc1ccc(O)cc1C 2178767888 QBMWJNYHHNVBSE-UHFFFAOYSA-N 301.364 1.786 10 10 DDCE COCCOCCOCCNCc1c(O)cccc1Cl 2187127449 DEQFMWYHICEFCL-UHFFFAOYSA-N 303.786 1.815 10 10 DDCE COCCNCc1cnc(SCC(=O)NC2CC2)s1 2099111025 KYTUDMFVPAGWQB-UHFFFAOYSA-N 301.437 1.250 10 10 DDCE CN[C@@](CSc1nccs1)(C(=O)OC)C1CCOCC1 2208169801 OTGFDLHMKJTAAS-CYBMUJFWSA-N 316.448 1.793 10 10 DDCE CSc1ncc(CNC(=O)[C@H]2CC[C@@]2(C)C(=O)O)s1 2269120779 HCFXBMXHULAYKC-PRHODGIISA-N 300.405 1.982 10 10 DDCE COC(=O)C(C)(C)CS(=O)(=O)N1CCC[C@H]1CN=[N+]=[N-] 2290102915 ZJCPERSPRPZSRR-VIFPVBQESA-N 304.372 1.290 10 10 DDCE CC(C)N1C[C@H](C)[C@H](NC(=O)C=Cc2ccc(O)c(O)c2)C1 2308002246 MKZFDDIBRVEDIL-GXTWGEPZSA-N 304.390 1.956 10 10 DDCE CSc1ncc(CN[C@@]2(C(=O)O)CCNC2(C)C)s1 2349501249 QPICEJCMQKDPIX-GFCCVEGCSA-N 301.437 1.550 10 10 DDCE CCN1C(=O)/C(=C/Nc2cccc(Cl)c2)C(=O)NC1=S 104941946 BKXMMISOAWWUSK-JXMROGBWSA-N 309.778 1.899 10 10 DDCE COCCCN1C(=O)N=C(O)/C(=C\Nc2cc(C)on2)C1=O 102713413 CFFOPGJJBQTXPR-VQHVLOKHSA-N 308.294 1.234 10 10 DDCE CC(=O)N(C(=O)C(=O)N1CCCC[C@H]1C)c1ccc(N)cc1 170318574 WPAWSRHXKOECSD-LLVKDONJSA-N 303.362 1.549 10 10 DDCE O=[N+]([O-])c1ccc(O)c(CN2CCC[C@@H](C3OCCO3)C2)c1 170914824 RQPSQRXKNWDULY-LLVKDONJSA-N 308.334 1.885 10 10 DDCE CC(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1 20603951 IONSERYNJMODMM-KRWDZBQOSA-N 319.449 1.898 10 10 DDCE CN(C)c1ccc(CNC(=O)c2cn3c(n2)COCC3)cc1 65231629 KWEONDLQBGLAKZ-UHFFFAOYSA-N 300.362 1.409 10 10 DDCE C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCCO1 177824573 PGWBMHINNNXLFX-SECBINFHSA-N 307.306 1.541 10 10 DDCE Oc1cc2c(cc1CN1CCN(c3ncccn3)CC1)CCC2 35587955 BJKSUEKRSZSREX-UHFFFAOYSA-N 310.401 1.993 10 10 DDCE CN(C)C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CCO1 191154002 LXBPRUXZKMWGSB-JTQLQIEISA-N 302.777 1.947 10 10 DDCE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)Cc1ccc(N)cc1 42712081 NUKQULGNNXUNFK-ZDUSSCGKSA-N 312.391 1.126 10 10 DDCE C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1N1CCOCC1 245783701 UTBZPGUTDSJLQR-MAUKXSAKSA-N 303.450 1.905 10 10 DDCE COc1cc2c(c(OC)c1OC)CN(C)CCN2CCCN 527432258 XNOJZGYJPJIDSE-UHFFFAOYSA-N 309.410 1.313 10 10 DDCE COC[C@@H](CCNCc1ccc([N+](=O)[O-])c(OC)c1O)OC 826840952 ZVWMAMSAMBZIDV-LLVKDONJSA-N 314.338 1.450 10 10 DDCE O=C(NCCc1ccc(O)c(O)c1)c1cn(CC2CC2)nn1 827085009 JFNOBQWPXPXDIP-UHFFFAOYSA-N 302.334 1.072 10 10 DDCE CN1CCN([C@H]2CC[C@@H](NC(=O)c3cc(O)cs3)CC2)CC1 832190510 NNSBFBIUKIELEK-BETUJISGSA-N 323.462 1.742 10 10 DDCE CN(C)c1ccc(CNC(=O)NCc2c(O)cccc2F)cn1 914070861 YDDDKQJBNDSKKF-UHFFFAOYSA-N 318.352 1.992 10 10 DDCE COC(C)(C)CS(=O)(=O)NCc1cc(Cl)ccc1O 845995416 BFHBZVHOYQGQDP-UHFFFAOYSA-N 307.799 1.890 10 10 DDCE C[C@H](NCc1ccc(N2CCOCC2)cc1)[C@@H]1[C@H]2CN[C@H]1C2 925500345 DLLXHGMHWUXYBZ-UNQWWWNPSA-N 301.434 1.609 10 10 DDCE O=C1CN(Cc2ccccc2O)C(=O)N1[C@@H]1COC2(CCC2)C1 849361254 YNACRGDTIBLZGL-ZDUSSCGKSA-N 316.357 1.868 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3CCCOC3)C2)cc1 852125871 YYAPNHUPBXATLY-KGLIPLIRSA-N 319.405 1.752 10 10 DDCE Cc1ccc(C(=O)N2CCC3=C(CCC(=O)N3)C2)c(O)c1O 855153119 LHMNTNDZTBFADV-UHFFFAOYSA-N 302.330 1.416 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3CCO[C@@H]3C)C2)cc1 855225465 JHHKDNDWRUDWQI-WWGRRREGSA-N 304.390 1.815 10 10 DDCE CN(C)C(=O)C1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 788267514 UDVOFTBJMLCZOG-UHFFFAOYSA-N 303.406 1.579 10 10 DDCE O=C1NCC2(CCOCC2)[C@@H]1NCc1ccc2c(c1)CCO2 895772903 LRFJPXWAFVFTRJ-OAHLLOKOSA-N 302.374 1.006 10 10 DDCE CCOC(=O)CCNC(=O)c1cc2cc(O)c(O)cc2s1 895907403 ASGZOTXARNPKKW-UHFFFAOYSA-N 309.343 1.996 10 10 DDCE NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1 1169963932 PVOCOBHCYGVTGD-ZWKOPEQDSA-N 302.334 1.834 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2COCCO2)cc1C 1321464188 OSTLXGZYUYYRBP-CJNGLKHVSA-N 322.405 1.013 10 10 DDCE COc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2CC2(C)C)cc1C 1272398020 LIVVVIKGRIMHRD-HUUCEWRRSA-N 320.433 1.616 10 10 DDCE COc1ccc(CN[C@@H](CO)CNC(=O)CC2CC2)cc1C 1507167964 NSAVKWOLKSQJFV-OAHLLOKOSA-N 306.406 1.370 10 10 DDCE CCOC(=O)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 1293112358 WVRBOGCRLXVLBU-GFCCVEGCSA-N 318.333 1.921 10 10 DDCE Cc1ccc(O)c(CNC(=O)c2ncccc2S(C)(=O)=O)c1 1453652125 RYXJEIPHVNXASX-UHFFFAOYSA-N 320.370 1.429 10 10 DDCE O=C1Cc2c(C(=O)N3CCc4c3cccc4[N+](=O)[O-])ccnc2N1 1618295584 GORMGEVRMSUYEX-UHFFFAOYSA-N 324.296 1.687 10 10 DDCE CC(C)Cn1[nH]c(CC(=O)NCc2ccc(O)c(O)c2)cc1=O 1622664045 DMBGXMNKYQWTRA-UHFFFAOYSA-N 319.361 1.103 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](n2ccnc2)C1 1627048846 XLTKAQMCEQZUIA-ZDUSSCGKSA-N 301.346 1.701 10 10 DDCE C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cccc(O)c1O 1558159592 IKZORDBZZHTUFC-MGPLVRAMSA-N 315.325 1.943 10 10 DDCE CCCO[C@@H]1CS(=O)(=O)C[C@@H]1N1CCC[C@@H](N=[N+]=[N-])C1 1912159795 MROKOSBANKZSCC-GRYCIOLGSA-N 302.400 1.353 10 10 DDCE Cn1cnc2cncc(C(=O)NCCc3ccc(O)c(O)c3)c21 1566370364 XMVIWRVLGNKWPV-UHFFFAOYSA-N 312.329 1.352 10 10 DDCE CCC(=O)N1CCC[C@H](C(=O)NCc2cc(O)ccc2O)C1 1633595409 VAQZXMWMBLKSJG-NSHDSACASA-N 306.362 1.363 10 10 DDCE COC(=O)c1cnc([C@H](C)NC(=O)c2cccc(O)c2O)s1 1639557765 XQKGOVMYYWKMGA-ZETCQYMHSA-N 322.342 1.832 10 10 DDCE O=C(NCc1c(O)cccc1O)c1cnc(C2CC2)nc1O 1645362753 BGAFUIXDOXMKAI-UHFFFAOYSA-N 301.302 1.401 10 10 DDCE COCCn1cc(C(=O)NCc2c(O)cccc2O)c(C)n1 1645363403 UCKFYKGCDKOLCE-UHFFFAOYSA-N 305.334 1.179 10 10 DDCE C[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)NCc1ccccc1 153176395 FSFGJEYYLBIYGD-ZDUSSCGKSA-N 311.385 1.632 10 10 DDCE NCc1cc(F)c(N2CC[C@@H](O)[C@@H](F)C2)cc1Br 2027984840 AGSZARCTWFBIDG-CMPLNLGQSA-N 321.165 1.956 10 10 DDCE CS(=O)(=O)NC1CCN(c2ccc(CN)c(Cl)c2)CC1 702999125 SMDRHZNUTZKZHT-UHFFFAOYSA-N 317.842 1.317 10 10 DDCE C[C@@H]1CN(Cc2ccc(F)c(F)c2O)C[C@@H](C)S1(=O)=O 703556715 PNTGQQKUTDBMBK-RKDXNWHRSA-N 305.346 1.678 10 10 DDCE CN(Cc1ccc(N)cc1)S(=O)(=O)c1ncn(C)c1Cl 2162753632 VIZPCENPMGXDRM-UHFFFAOYSA-N 314.798 1.476 10 10 DDCE CC[C@H](C)[C@@H](CNS(=O)(=O)Cc1ccc(N)cc1)OC 382042309 VPGLZDAYDROHOM-SMDDNHRTSA-N 300.424 1.749 10 10 DDCE CCOC(=O)Cc1cc(O)n2nc(C(C)C)c(C(=O)OC)c2n1 2080920096 CURJWNSEHKAFJR-UHFFFAOYSA-N 321.333 1.451 10 10 DDCE NCc1ccc(N2CC(=O)N[C@H]3CC[C@@H]32)c(Br)c1 2049370646 JBMJOGDULZFUNC-JQWIXIFHSA-N 310.195 1.375 10 10 DDCE NCc1ccc(N2C[C@@H](CO)[C@@H](F)C2)c(F)c1Br 2057002735 PTFPWOYSGBZKMC-IUCAKERBSA-N 321.165 1.814 10 10 DDCE CN(Cc1nnn(C)n1)c1ccc(CN)c(Br)c1 2077215407 DABBWPCFONEDGO-UHFFFAOYSA-N 311.187 1.068 10 10 DDCE NCc1ccc(N2CC(C(=O)NC3CC3)C2)c(Br)c1 2111741649 RPRHIDSUWBATKD-UHFFFAOYSA-N 324.222 1.623 10 10 DDCE CCS(=O)(=O)CCN(C)c1ccc(OC)cc1CCN 2235978121 YGDQIRBMXWXNIT-UHFFFAOYSA-N 300.424 1.067 10 10 DDCE Cc1cc(N2CCSC[C@@H]2S(C)(=O)=O)ccc1[C@H](C)N 2285146144 MCRVUXLIJVKYAU-FZMZJTMJSA-N 314.476 1.939 10 10 DDCE NN1C(=O)C(=Cc2ccc(OCCC(=O)O)cc2)SC1=S 2294874488 HDHRHPYAUXHLKW-UHFFFAOYSA-N 324.383 1.615 10 10 DDCE COc1cc(OC)c(N2CC(CCN)(OC)C2)cc1Cl 2285852432 ZHJUQKLLFFUOOW-UHFFFAOYSA-N 300.786 1.911 10 10 DDCE COC(=O)NC[C@@H](C)NCc1cc(Cl)cc(OC)c1O 2286121268 PTLRBVATXQDWDG-MRVPVSSYSA-N 302.758 1.888 10 10 DDCE COC(=O)c1cnc(NN(C)S(=O)(=O)C2CCC2)s1 2339725065 ARLIKNSDNXBLDR-UHFFFAOYSA-N 305.381 1.071 10 10 DDCE CSc1cc(N2CCCS(=O)(=O)CC2)ccc1CN 2353859750 ITWPMUOMRGHGPD-UHFFFAOYSA-N 300.449 1.492 10 10 DDCE CC(=O)c1cc(F)cc(CN2CCO[C@@H](CN(C)C)C2)c1O 175653789 MDDBKZLNBQOTOP-AWEZNQCLSA-N 310.369 1.496 10 10 DDCE CCN(CC)c1ccc(CNC(=O)[C@H](NC(N)=O)C(C)C)cc1 193631854 QKGKDBUYZKXXNQ-OAHLLOKOSA-N 320.437 1.842 10 10 DDCE COc1cccc(CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1O 362333473 DBIHNKMCWGYSNB-KBPBESRZSA-N 304.390 1.891 10 10 DDCE C[C@H]1CS(=O)(=O)CCN1Cc1cc(Cl)c(F)cc1O 295359019 NRHBANKLSTUGKS-QMMMGPOBSA-N 307.774 1.804 10 10 DDCE C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)N[C@H](CF)C1=O 806672336 ZKZBPWAUHYFANN-BXUZGUMPSA-N 321.352 1.474 10 10 DDCE CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn2c(n1)CCC2 579357270 VUOKQNXVIYRZEP-UHFFFAOYSA-N 312.373 1.935 10 10 DDCE CC[C@H](Cn1cncn1)NC[C@H](N)c1ccc(N(C)C)cc1 817942896 RGGWYQHATCKYDO-ZBFHGGJFSA-N 302.426 1.412 10 10 DDCE CN(Cc1ccc(N(C)C)cc1)C(=O)[C@]1(C)C[C@H](O)CN1C 900028050 YQUJEDDADHAYCO-RDJZCZTQSA-N 305.422 1.166 10 10 DDCE CN1CCCc2cc(CNC(=O)[C@@]3(C)C[C@@H](O)CN3C)ccc21 900432496 CZYOVFIDROXTQL-CRAIPNDOSA-N 317.433 1.140 10 10 DDCE C[C@@H](NC(=O)[C@]1(C)CCCS1(=O)=O)c1ccc(N(C)C)cc1 907492460 KQZJNZWMSOVRJW-WBMJQRKESA-N 324.446 1.897 10 10 DDCE C/C=C\[C@@H](O)C(=O)N(CC(=O)OCC)Cc1ccccc1O 911304021 SNAXDOKADYVILL-NMNMAYGDSA-N 307.346 1.221 10 10 DDCE COc1ccc(N2CC[C@H](NS(=O)(=O)C3(C)CC3)C2)cc1 849416694 CMPGSWXFYVPTLO-LBPRGKRZSA-N 310.419 1.746 10 10 DDCE O=S1(=O)C[C@@H]2CN(Cc3cc(F)cc(F)c3O)CC[C@H]2C1 895470328 JWLSTWWKRRKTLZ-ONGXEEELSA-N 317.357 1.537 10 10 DDCE COC(=O)[C@H]1CCC[C@H]1NCc1cc(OC)c(OC)cc1O 1343594845 DZHPEVFSPHCFNK-NWDGAFQWSA-N 309.362 1.841 10 10 DDCE Cn1nnnc1CCNCc1cc(Br)ccc1O 771875905 IXFNKAQYTOZCIQ-UHFFFAOYSA-N 312.171 1.011 10 10 DDCE CN(C)c1n[nH]c(CNC(=O)NCc2cccc(Cl)c2O)n1 1479204955 YKWUTEQZCAUVMM-UHFFFAOYSA-N 324.772 1.229 10 10 DDCE C[C@@H](CC(=O)OC(C)(C)C)NC(=O)Cc1ccc(O)c(O)c1 1542947579 KLUOSTKSTOHSSO-JTQLQIEISA-N 309.362 1.877 10 10 DDCE CCN(CC)CCSCC(=O)NCc1c(O)cccc1O 1558533357 DIKCEUDASCGUGO-UHFFFAOYSA-N 312.435 1.789 10 10 DDCE O=Cc1ccccc1OCC(=O)NCc1cc(O)ccc1O 1558174156 GEZJZWLVBFMEHY-UHFFFAOYSA-N 301.298 1.606 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@H]1COc2ccc(O)cc2O1 1566304136 ULEGZGJKKWBHJK-MRXNPFEDSA-N 315.325 1.896 10 10 DDCE CCOCC(=O)N1C[C@H](C)[C@@H](NCc2ccc(OC)c(C)c2)C1 1733843405 VMUKIFZRLZYMIT-HOCLYGCPSA-N 320.433 1.977 10 10 DDCE COc1ccc(CNC[C@@H](C)NC(=O)[C@@H]2[C@H]3COC[C@H]32)cc1C 1732969784 NCKSERDIMGSWGD-UTXMOHQDSA-N 318.417 1.490 10 10 DDCE CC(=O)N[C@H](CCC(C)C)C(=O)NCc1c(O)cccc1O 1647289688 HJIRUCQJPHTTFQ-CYBMUJFWSA-N 308.378 1.655 10 10 DDCE O=C(c1ccc(-n2ccnc2)nn1)N1Cc2cccc(O)c2C1 1644088088 DZRYXKVRACNEKL-UHFFFAOYSA-N 307.313 1.524 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CN2CCC1CC2 1653229319 BVZLCEDZNQCMBL-XBPVQUQDSA-N 302.374 1.569 10 10 DDCE COCCNCc1ccc(N(C)CCO)c(C(F)(F)F)c1 163682290 PASLYTQAEZGWLN-UHFFFAOYSA-N 306.328 1.870 10 10 DDCE O=C(CCNCc1cc(Cl)ccc1O)N1CCCNCC1 1857864752 FGPSANQGBUQTMI-UHFFFAOYSA-N 311.813 1.347 10 10 DDCE CC(=O)C(=O)[C@@]1(O)C[C@H]2CC[C@@H]([C@@H]1C)N2C(=O)OC(C)(C)C 1919108373 YRYVQSVRPPWXNH-HMECCHRJSA-N 311.378 1.684 10 10 DDCE CC(=O)C(=O)COC(=O)CCNC(=O)OCc1ccccc1 1923721382 NOWJNPDUHMQIJL-UHFFFAOYSA-N 307.302 1.004 10 10 DDCE CCS(=O)(=O)N(C)CCN[C@@H](C)c1cc(O)ccc1O 1926344546 LKINXPHYLVYMHD-JTQLQIEISA-N 302.396 1.030 10 10 DDCE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)Nc2ccc(N)cc2)C1 1991831500 HKNXJYMUCQNYAA-MRXNPFEDSA-N 321.377 1.579 10 10 DDCE C[C@H](O)c1ccc(N2CC[C@H](NS(C)(=O)=O)C2)c(Cl)c1 702989658 YFEWQUYZRZOEMJ-ONGXEEELSA-N 318.826 1.521 10 10 DDCE O=S1(=O)CCC[C@@H]1CCNCc1ccc(F)c(F)c1O 714326454 BREFGYZGXCPPIC-SNVBAGLBSA-N 305.346 1.727 10 10 DDCE N[C@@H]1C(=O)Nc2cc(N3CCS[C@@H](CO)C3)c(Cl)cc21 720043364 DPEVBQDQIBOSTF-KRTXAFLBSA-N 313.810 1.206 10 10 DDCE OCc1ccc(N2CCS[C@H](CO)C2)cc1Br 720018210 DLBGSZHHFWHZOU-NSHDSACASA-N 318.236 1.856 10 10 DDCE CNCc1ccc(N(C)CC[S@@](C)=O)c(Br)c1 399080609 LGIXZMXYMIQLNE-QGZVFWFLSA-N 319.268 1.983 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)c2n1 2062994010 AYIVTTFYPTYLQH-BIMULSAOSA-N 316.361 1.287 10 10 DDCE CCN(C[C@@H]1CCOC1)C(=O)c1cnn2c(O)cc(C)nc12 2064694051 CLJMJJHPQOZNDJ-NSHDSACASA-N 304.350 1.242 10 10 DDCE NCc1ccc(N2CC[C@H](OCCO)C2)cc1Br 2046762148 TVCPXLMRLGVBCZ-LBPRGKRZSA-N 315.211 1.495 10 10 DDCE CO[C@@H]1CN(Cc2cc(Br)cc(F)c2O)C[C@@H]1N 2058770052 ZWTUQKPFTWMYPO-WDEREUQCSA-N 319.174 1.452 10 10 DDCE COc1ccc(Br)c(CNCCNC(C)=O)c1O 2220446707 CLKFRYFQDCXRNF-UHFFFAOYSA-N 317.183 1.389 10 10 DDCE CSc1ncc(CNS(=O)(=O)c2cccnc2O)s1 2269269626 FEUDXNNPKJZOAH-UHFFFAOYSA-N 317.417 1.444 10 10 DDCE CCN1C(=O)C(=CN[C@@H]2CCC[C@@H](C)[C@@H]2C)C(=O)NC1=S 2296169485 XBVBDIQWIYUKSX-JFGNBEQYSA-N 309.435 1.548 10 10 DDCE CN(C[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(CN)c(F)c1 2285345891 ZFIBOBSODGRKPD-MJHDQNEOSA-N 300.399 1.544 10 10 DDCE CC(=O)NCCN1C(=O)C(=Cc2ccc(O)cc2)SC1=S 2318684073 ORYFWYFFUFSSKL-UHFFFAOYSA-N 322.411 1.730 10 10 DDCE Cc1ccc(CNCc2nnc(O)o2)c(O)c1Br 2327618017 GLGIYQGMZXBRAN-UHFFFAOYSA-N 314.139 1.842 10 10 DDCE C[C@@H]1C[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 170806503 DFBQOFUOTGPHHF-RISCZKNCSA-N 307.369 1.870 10 10 DDCE COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccnn2C)c1 184979179 LSFNAECSVFERNR-LLVKDONJSA-N 303.362 1.944 10 10 DDCE COc1ccc(O)c(CNC(=O)N[C@H]2CCCn3ncnc32)c1 176519153 MEXUWLCDFQICCL-LBPRGKRZSA-N 317.349 1.327 10 10 DDCE CSc1nc(O)c2c(n1)NC(=O)C[C@H]2c1ccc(O)c(O)c1 21784005 XKTSYJVDLUIIRM-ZETCQYMHSA-N 319.342 1.789 10 10 DDCE COc1ccccc1/C=C1/SC(N2CCN(C)CC2)=NC1=O 33155026 JQCXMOYZTWDLBV-SDNWHVSQSA-N 317.414 1.913 10 10 DDCE CN[C@@H](C)c1ccc(N2C[C@@H](O)[C@@H](O)[C@H]2CF)c(Cl)c1 2358209822 YNUPHGFZQUKNFI-IYMWITQMSA-N 302.777 1.500 10 10 DDCE Cc1cc(Cl)cc(CN(C)[C@@H]2CCS(=O)(=O)C2)c1O 183458026 PQLZTNLDLPXNJP-GFCCVEGCSA-N 303.811 1.973 10 10 DDCE CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCc1ccc(N(C)C)cc1 78430744 YAZTVTQDEWHLLB-SMDDNHRTSA-N 306.410 1.452 10 10 DDCE Cc1cc(N(C)C)ccc1CNS(=O)(=O)[C@@H]1CCO[C@@H]1C 135680472 ATSSXILJIUCXNM-IUODEOHRSA-N 312.435 1.658 10 10 DDCE CCN1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1=O 190595085 UPCZLVIPATVNMF-UHFFFAOYSA-N 312.373 1.751 10 10 DDCE C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nn(C)cc1[N+](=O)[O-] 274902273 GOFBRDAHODCYON-MRVPVSSYSA-N 320.305 1.101 10 10 DDCE COc1ccc(O)c(CN2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 373215654 JOEJRTDGWVPILA-DOMZBBRYSA-N 304.390 1.891 10 10 DDCE O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCCO1 291215461 JROULVDUXFUAHO-UHFFFAOYSA-N 323.368 1.634 10 10 DDCE C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C)N1CCOCC1 588406776 UWPCPCVAEPCBOA-ODBHDECVSA-N 320.389 1.336 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(C)CCCS1(=O)=O 906714119 OTDXXNPOJFCYKX-INIZCTEOSA-N 324.446 1.645 10 10 DDCE CC(C)(C)OC(=O)C1(C(=O)NCc2ccc(O)cc2O)CC1 910944490 MWRRKSJVPDLAIX-UHFFFAOYSA-N 307.346 1.836 10 10 DDCE Nc1ccc(NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)cc1 926141444 DHTJFQXPHWQUNV-KGLIPLIRSA-N 306.435 1.970 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H]2CC[C@H]1[C@H](CO)C2 856463756 FRWVVAWUMWLEOR-MXFADWRWSA-N 303.358 1.730 10 10 DDCE Fc1cc(CNCC23CC(CN2)C3)ccc1N1CCOCC1 853246547 MOHDVASAUABTQO-UHFFFAOYSA-N 305.397 1.504 10 10 DDCE COc1cccc(CNC(=O)[C@@]2(CC(C)C)CCNC2=O)c1O 866763058 GWBWXPUJCRHHSN-QGZVFWFLSA-N 320.389 1.569 10 10 DDCE COc1ccc(O)c(CNC(=O)c2cc(-n3ccnc3)ccn2)c1 777801904 LXBMPCMNSWTNSP-UHFFFAOYSA-N 324.340 1.912 10 10 DDCE CN(C)c1ccc(CNCCn2cc(Br)nn2)cc1 1878205454 BXEHCBBKOJXXIU-UHFFFAOYSA-N 324.226 1.896 10 10 DDCE O=S1(=O)C[C@@H]2CN(Cc3cc(Cl)ccc3O)C[C@@H]2C1 897618910 LBFKVXGVWCROMG-PHIMTYICSA-N 301.795 1.522 10 10 DDCE CCOCCn1cc(C(=O)NCc2c(O)cccc2O)cn1 1304054004 ZVYKARSXWKVMLB-UHFFFAOYSA-N 305.334 1.261 10 10 DDCE C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC(=O)N1C 1296892368 MMMKUQJUSNIIED-VIFPVBQESA-N 303.322 1.152 10 10 DDCE C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 1523198913 AXIJJUIOBFHWFZ-BNOWGMLFSA-N 303.406 1.831 10 10 DDCE CC(C)Oc1cc(CNCC(=O)O)ccc1N1CCNCC1 212158956 ONCFQKXTJDHMET-UHFFFAOYSA-N 307.394 1.058 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1cccc(-n2cnnn2)c1 1540478579 CESKAKVDPKMHPJ-UHFFFAOYSA-N 311.301 1.255 10 10 DDCE COc1ccc(CN[C@@H](C)CNC(=O)c2cnsn2)cc1C 1713300502 MVOGAUNFRWZZHK-NSHDSACASA-N 320.418 1.763 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)NCc1ccccc1[N+](=O)[O-] 1625906638 BNPMIVVZSXTGFZ-UHFFFAOYSA-N 302.286 1.865 10 10 DDCE O=C(NCc1cccc(O)c1O)c1ccn(CC(F)(F)F)n1 1644710484 BEJGHZAQYWKMCQ-UHFFFAOYSA-N 315.251 1.787 10 10 DDCE O=C(NCc1cc(O)ccc1O)c1cnc(C(F)(F)F)nc1 1643881832 HMCYWJDEBAQIAF-UHFFFAOYSA-N 313.235 1.837 10 10 DDCE Cc1cc(C)c(O)c(CN2CCC[C@@H](NS(C)(=O)=O)C2)c1 164011163 GBZKQQNPTRICBB-CQSZACIVSA-N 312.435 1.523 10 10 DDCE Cc1c(OCc2ccc(N)cc2)c(=O)ccn1CCOCCO 1857909867 POWCDJQCFQPXOP-UHFFFAOYSA-N 318.373 1.327 10 10 DDCE Nc1ccc(CCNC(=O)C(Cl)=C(Cl)C(=O)O)cc1 2139109590 WEUPXWFYWZTXAF-UHFFFAOYSA-N 303.145 1.701 10 10 DDCE CC1(C)[C@@H](CNCc2ccc(F)cc2O)CCS1(=O)=O 1967858654 VCLTVGLWAHZOIN-LLVKDONJSA-N 301.383 1.834 10 10 DDCE [N-]=[N+]=NCCCN[C@@H](C(N)=O)c1nc(Br)cs1 1950120985 SGVBMBNCOOCWPQ-LURJTMIESA-N 319.188 1.722 10 10 DDCE CNCc1ccc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl 2151285299 ILPWPZQHCLBONR-RISCZKNCSA-N 314.838 1.683 10 10 DDCE CS(=O)(=O)C[C@H]1C[C@@H](NCc2ccc(Cl)cc2O)C1 1974491326 ZSZDBUNKADUMSV-WVSHTKLVSA-N 303.811 1.958 10 10 DDCE C[C@@H](CCS(C)(=O)=O)N(C)Cc1cc(F)cc(F)c1O 2160749717 PYYOBURXHIHXLW-VIFPVBQESA-N 307.362 1.925 10 10 DDCE COCCNCc1cnc(SC[C@@H]2CN(C)CCO2)s1 2155324544 PNCKFOQAEJNMHY-NSHDSACASA-N 317.480 1.302 10 10 DDCE Cc1c(C(=O)NCCCN=[N+]=[N-])c(Br)nn1C 2014544870 SBQFXEIIDAYFPK-UHFFFAOYSA-N 301.148 1.921 10 10 DDCE CC(C)[C@@H](C)N(C)S(=O)(=O)CCOc1ccc(N)cc1 70490642 UULGAEOQNIMVCP-GFCCVEGCSA-N 300.424 1.954 10 10 DDCE Oc1ccc(Br)cc1CNC1COCCOC1 310557179 IRFLEHSKIFGIEA-UHFFFAOYSA-N 302.168 1.660 10 10 DDCE C[C@H](O)c1ccc(N2CC(NS(C)(=O)=O)C2)cc1Cl 703006065 IMYKVPLTZNWLFY-QMMMGPOBSA-N 304.799 1.131 10 10 DDCE CN(CCN(C)C1COC1)c1cc(Cl)c(CN)cc1F 2177386848 FOABEAPPCXMEGN-UHFFFAOYSA-N 301.793 1.705 10 10 DDCE O=C(NC1CC1)c1ccnn1Cc1ccc([N+](=O)[O-])cc1O 2069956954 DDROFECPYWLXST-UHFFFAOYSA-N 302.290 1.437 10 10 DDCE CC1(C)C[C@H](S(C)(=O)=O)CN1c1ccc(CN)cc1F 2179919057 FIXHHYQFZOWIRC-NSHDSACASA-N 300.399 1.686 10 10 DDCE Nc1ccc(OCCS(=O)(=O)NOCC(F)(F)F)cc1 2191771291 CMWKKLLHZSURSI-UHFFFAOYSA-N 314.285 1.061 10 10 DDCE C[C@@]1(O)CN(c2ccc(CN)cc2Br)CC[C@H]1O 2081724020 QPQFQAVVPFKWGL-CHWSQXEVSA-N 315.211 1.230 10 10 DDCE Cn1nnc2c1CCN(c1ccc(CO)cc1Br)C2 2114029772 XAWIOLRSGMENMJ-UHFFFAOYSA-N 323.194 1.633 10 10 DDCE CCO[C@@H]1CNC[C@H]1C(=O)NCc1cnc(SC)s1 2269089890 HNGREDLUAUQQQG-NXEZZACHSA-N 301.437 1.106 10 10 DDCE Nc1ccc(OC[C@H](O)Cn2nc(Cl)nc2Cl)cc1 2265041589 KCTZSKACMRZNNF-MRVPVSSYSA-N 303.149 1.607 10 10 DDCE CSc1ncc(CNC(=O)N2CC3(C[C@@H]3C(=O)O)C2)s1 2284504688 OINZUZNPIMDWSK-MRVPVSSYSA-N 313.404 1.481 10 10 DDCE CSc1ncc(CNC(=O)C(C)(C)n2cc(N)cn2)s1 2284640075 WZVIRTOJCANVFU-UHFFFAOYSA-N 311.436 1.695 10 10 DDCE CON(Cc1ccc(C)c(Br)c1O)C1CNC1 2307478103 TUQOVLXSURWKAV-UHFFFAOYSA-N 301.184 1.798 10 10 DDCE Cc1ccc(CN=c2ncc(N)c[nH]2)c(O)c1Br 2327584904 DNVROBYPALJRAC-UHFFFAOYSA-N 309.167 1.869 10 10 DDCE O=C(O)[C@@]1(Sc2nccs2)COC2(CCNCC2)C1 2351874088 GJDXWTSLKGVDNW-LBPRGKRZSA-N 300.405 1.601 10 10 DDCE CN=c1nc[nH]c(=NCc2ccc(C)c(Br)c2O)[nH]1 2352637751 SHEDKLXZDDTETQ-UHFFFAOYSA-N 324.182 1.146 10 10 DDCE Oc1c(Br)cccc1CNCCCn1ccnn1 126637621 HNZKDONQIHZWBL-UHFFFAOYSA-N 311.183 1.926 10 10 DDCE CCc1ccc2c(c1)/C(=C1\SC(=S)N(N)C1=O)C(=O)N2 38182941 DBJFSECMFKSSQV-MDZDMXLPSA-N 305.384 1.646 10 10 DDCE COc1ccc(N2CCN(C(=O)Cc3ccn(C)c3)CC2)cc1 74962699 IUVJOIKPODDCTQ-UHFFFAOYSA-N 313.401 1.925 10 10 DDCE O=S(=O)(C(F)F)[C@H]1CCN(c2ccc(CO)cc2F)C1 2368804840 WHQWQNCHDQDNAX-VIFPVBQESA-N 309.309 1.534 10 10 DDCE C[C@H](NC(=O)Cc1ccc(N)cc1)c1nc(C(=O)O)cs1 90935402 OJMLAOUZPQVGND-QMMMGPOBSA-N 305.359 1.843 10 10 DDCE O=C(c1c(F)ccc(O)c1O)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O 530277555 WRQMHMKITICPAJ-KRNBLGIKSA-N 313.350 1.363 10 10 DDCE COc1cc(NS(=O)(=O)c2cn3c(n2)CCCC3)ccc1O 366820227 GSZPYPQKZDEAMR-UHFFFAOYSA-N 323.374 1.734 10 10 DDCE CN(C)C(=O)C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 272414316 JHOGZMGADQQBME-GQCTYLIASA-N 318.373 1.438 10 10 DDCE CC(=O)C(=O)COC(=O)C1CCN(C(=O)c2ccccc2)CC1 808521344 ONWCMTNOVDVCFH-UHFFFAOYSA-N 317.341 1.240 10 10 DDCE COc1cccc(CN2CC[C@@H](Nc3ncccn3)C2)c1O 843414868 DEIUJBSZSCXBJG-CYBMUJFWSA-N 300.362 1.877 10 10 DDCE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@H](C)NC(N)=O 848226529 UGUIWTCOTUHQGV-STQMWFEESA-N 320.437 1.555 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@@]34CCOC4)C2)cc1 855225981 MMPTTXBCVILHBL-FDQGKXFDSA-N 316.401 1.817 10 10 DDCE COCc1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)co1 775893449 PUHRVJNTSDSKPG-SECBINFHSA-N 306.318 1.593 10 10 DDCE CN1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O 897509520 VDZJHJDOYBEDKS-SECBINFHSA-N 320.370 1.663 10 10 DDCE Cc1nc(NCc2ccc(N3CCN(C)CC3)cc2)nn1C 793269040 XXWAIRQOFGULHM-UHFFFAOYSA-N 300.410 1.487 10 10 DDCE Cc1cn2c(n1)C[C@H](C(=O)NCc1cc(O)ccc1O)CC2 1153884375 DASUOPHCHSUVDM-LLVKDONJSA-N 301.346 1.482 10 10 DDCE CN1C(=O)C[C@H](NCc2ccc(Br)cc2O)C1=O 691470873 ZIHDCOTVADXORO-VIFPVBQESA-N 313.151 1.002 10 10 DDCE CCOc1ccc(N2CCN([C@@H]3CCN(OC)C3=O)CC2)cc1 1334625428 IXVYWKOEVGLNTH-MRXNPFEDSA-N 319.405 1.370 10 10 DDCE CC1(C)[C@@H]2CN(C(=O)C(=O)N3Cc4cccc(O)c4C3)C[C@H]21 1332020417 BKQXGWCUXWTLHN-CHWSQXEVSA-N 300.358 1.349 10 10 DDCE Cc1cnc(NC(=O)CCN2C(=O)CSC2=S)s1 1865768291 PASLSEAPWKZVMZ-UHFFFAOYSA-N 301.418 1.640 10 10 DDCE NC(=O)CCC(=O)Nc1c(-c2ccccn2)nc2ccccn12 1468658631 ZKTBAYNWUGDIFS-UHFFFAOYSA-N 309.329 1.600 10 10 DDCE Cc1cnc2c(C(=O)NCCc3ccc(O)c(O)c3)cnn2c1 1631516523 ARYYYKQOORNLAI-UHFFFAOYSA-N 312.329 1.421 10 10 DDCE O=C(NCc1ccc(O)c(O)c1)c1ncc(Br)cn1 1630272531 ADCRZOUXTQFNFD-UHFFFAOYSA-N 324.134 1.580 10 10 DDCE CS(=O)(=O)c1ccsc1CNCc1ccc(O)cc1O 1912409437 DQELEGTUQWMPBE-UHFFFAOYSA-N 313.400 1.853 10 10 DDCE COCCCn1ccc(NC(=O)Cc2ccc(O)c(O)c2)n1 1565713792 MYVUNDBXEJHAGF-UHFFFAOYSA-N 305.334 1.512 10 10 DDCE COc1ccc([C@@H](CO)N(C)C(=O)c2cccc(O)c2O)cc1 1632894922 PRXBZCGFSHIPKI-CQSZACIVSA-N 317.341 1.912 10 10 DDCE CCn1cc(C(=O)C(=O)NCc2cc(Cl)ccc2O)cn1 1644590817 QFEBXXFFPXOVLT-UHFFFAOYSA-N 307.737 1.761 10 10 DDCE Nc1ccc(OC(=S)NS(=O)(=O)c2ccc(N)cc2)cc1 1858618304 MXTLWBCUFLYPMU-UHFFFAOYSA-N 323.399 1.493 10 10 DDCE COCCOC(=O)[C@H](C)OC1CCN(c2ccc(N)cc2)CC1 585880288 OXTXJEALLIKOMG-ZDUSSCGKSA-N 322.405 1.832 10 10 DDCE O=C(NCc1ccccc1O)C1C[C@@H]2CSC[C@H](C1)C2=O 901122412 CYXXSURSVRBZRU-YHWZYXNKSA-N 305.399 1.967 10 10 DDCE C[C@H]1CN(c2ccc(CO)cc2Br)CC(=O)N1C 1926024949 VOSDUVWFGDAJHI-VIFPVBQESA-N 313.195 1.608 10 10 DDCE CCOC(=O)[C@@H]1C[C@@]1(N)c1ccc(Br)cc1O 1952756646 GRHZELZURZBYCO-JOYOIKCWSA-N 300.152 1.892 10 10 DDCE C[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)C(=O)C[C@H]1C[C@H](N)C1 1975155344 CAALRSUHSYVHJB-YPIXOSSWSA-N 310.394 1.555 10 10 DDCE CN(Cc1csnn1)c1cc2c(cc1Cl)[C@H](O)C(=O)N2 2150303931 UJZQLABTNLUWLL-NSHDSACASA-N 310.766 1.813 10 10 DDCE CC1(CC(=O)C(=O)C[C@H]2C[C@H](N)C2)CN(C(=O)OC(C)(C)C)C1 1991980150 GUCSAIPUQWINDU-HAQNSBGRSA-N 324.421 1.899 10 10 DDCE CC[C@H](CCNS(=O)(=O)Cc1ccc(N)cc1)COC 2152349155 XAIZUCXWVFGMMZ-GFCCVEGCSA-N 300.424 1.751 10 10 DDCE C[C@@H](CCS(C)(=O)=O)N(C)Cc1ccc(F)c(F)c1O 2160751224 VDCAPDXIJVJPFU-VIFPVBQESA-N 307.362 1.925 10 10 DDCE CCCS(=O)(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN=[N+]=[N-] 701319044 NTIKJZOLFLVEHT-UWVGGRQHSA-N 303.388 1.006 10 10 DDCE CO[C@@]1(CNCc2cc(Cl)ccc2O)CCS(=O)(=O)C1 721267165 NGNKUMIWODYIPD-CYBMUJFWSA-N 319.810 1.339 10 10 DDCE CCN(Cc1ccc(N)cc1)S(=O)(=O)CC[C@@H](C)OC 2165533309 RGWOUJXMQQITJU-GFCCVEGCSA-N 300.424 1.846 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CC[C@@H](O)C34CCCC4)c2n1 2064192660 LFJYZUBVOXAYOZ-GFCCVEGCSA-N 316.361 1.263 10 10 DDCE CN1CC[C@@H](NCc2cccc(Br)c2O)CC1=O 2068218364 RWJNEKHNSTUECV-SNVBAGLBSA-N 313.195 1.865 10 10 DDCE CC(C)NCCCS(=O)(=O)N[C@@H](C)c1ccccc1O 2192630935 CCSUXPIEVAJJFV-LBPRGKRZSA-N 300.424 1.761 10 10 DDCE C[C@@H](O)c1ccc(N2CC[C@H]2[C@H](O)CO)c(Br)c1 2258342098 MONXRLAYWNBFKK-OXHMUOHRSA-N 316.195 1.434 10 10 DDCE CN(C[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(CN)cc1F 2285296740 ONUOKBKPAWWCRN-HAQNSBGRSA-N 300.399 1.544 10 10 DDCE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cccn2C)C1=O 2296425927 XLEDEHGGVRZZLV-UHFFFAOYSA-N 309.325 2.000 10 10 DDCE CCN(CC)C(=O)CN(C)C(=O)C=Cc1ccc(O)c(O)c1 2307982141 PLCMWKJPTNGRTA-UHFFFAOYSA-N 306.362 1.438 10 10 DDCE CN(Nc1nc(CCCCC(=O)O)cs1)S(C)(=O)=O 2339781830 ONEPNNWULHKWBS-UHFFFAOYSA-N 307.397 1.159 10 10 DDCE CO[C@H]1C[C@H](CO)N(c2ccc(CN)cc2Br)C1 311116586 NQCWGZJTXHTQTG-MNOVXSKESA-N 315.211 1.494 10 10 DDCE O=C(c1cc(O)nc(O)c1)N1CCN(c2ccc(F)cc2)CC1 170223179 DSGMABLAFQIQTA-UHFFFAOYSA-N 317.320 1.594 10 10 DDCE CCc1n[nH]c([C@@H]2CN(Cc3ccc(OC)cc3O)CCO2)n1 129133034 OAQBEPQLVRONIS-AWEZNQCLSA-N 318.377 1.655 10 10 DDCE COc1ccc(C(=O)NCCN2C(=O)CSC2=S)cc1 49755556 BLFIAZNJYOCAHU-UHFFFAOYSA-N 310.400 1.285 10 10 DDCE COc1cc(Cl)c(N2CC[C@@H](O)[C@](C)(O)C2)c(OC)c1 2368095109 CZUDFQFIKOCLAW-TZMCWYRMSA-N 301.770 1.679 10 10 DDCE CC[C@H](NCC1CN(S(=O)(=O)CC)C1)c1ccccc1O 190666913 IQLYFHDUJMOMFJ-AWEZNQCLSA-N 312.435 1.714 10 10 DDCE Cc1cc(NS(=O)(=O)N2CCCC[C@H]2C(=O)O)ccc1O 148141964 JXLFBLATHJVPIF-NSHDSACASA-N 314.363 1.296 10 10 DDCE CC(C)N(CC(N)=O)c1ccc(CN)c(Br)c1F 231839530 APAQVDPKUCGFQQ-UHFFFAOYSA-N 318.190 1.747 10 10 DDCE CC[C@@H](CNS(C)(=O)=O)NCc1cc(Cl)cc(C)c1O 294931773 BQLFIGKIQQBPOV-LBPRGKRZSA-N 320.842 1.771 10 10 DDCE COc1cccc(CNC(=O)C[C@@H]2CCOC[C@H]2OC)c1O 295062376 KWJAWQJFUMZYML-SMDDNHRTSA-N 309.362 1.459 10 10 DDCE C[C@]1(c2nc(Cc3ccc(N)cc3)no2)CCCS1(=O)=O 904077505 BOCPCJSLLSJMSI-CQSZACIVSA-N 307.375 1.666 10 10 DDCE CC(C)c1nncn1CCNC(=O)/C=C\c1ccc(O)c(O)c1 588407054 RRAWRSSMFZNHDP-XQRVVYSFSA-N 316.361 1.642 10 10 DDCE COc1ccc(N2CCCN(C(=O)NC/C=C/CN)CC2)cc1 841998193 WEDLIDMGBVWGIK-NSCUHMNNSA-N 318.421 1.432 10 10 DDCE C[C@H]1C[C@@H](N(C)C(=O)NCCc2ccc(N)cc2)CCN1C 841955072 UJQCODDGYJBURW-BBRMVZONSA-N 304.438 1.935 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)N(C)C[C@@H](C)O)C2)cc1 854297697 RBBXSZGCMLNCKT-CHWSQXEVSA-N 307.394 1.296 10 10 DDCE O=C(/C=C\c1ccc(O)c(O)c1)OC[C@H]1CCC2(COC2)O1 922544917 GEROXEMYHIOJKS-DTRQGZQOSA-N 306.314 1.602 10 10 DDCE Cc1ccc([C@H](C)NCC[C@H]2CNCCS2(=O)=O)c(O)c1 925801903 YPJOFSOYORDQFG-STQMWFEESA-N 312.435 1.128 10 10 DDCE COC(=O)c1ccc(O)c([C@H](C)NC[C@@H](OC)[C@H]2CCOC2)c1 850484453 JEONIZXDQLZHHE-DETPVDSQSA-N 323.389 1.881 10 10 DDCE O=C(/C=C/c1ccc(O)c(O)c1)NCC(O)(C1CC1)C1CC1 855912356 SVCNKYVSYXCVHK-KRXBUXKQSA-N 303.358 1.778 10 10 DDCE COc1ccc(N2CC[C@H](NC(=O)c3cc(O)n(C)n3)C2)cc1 855227560 XVHWFJLICHWWCD-NSHDSACASA-N 316.361 1.143 10 10 DDCE CN(C)c1ccc(S(=O)(=O)NCc2ccccc2O)cc1 755105600 HCHWSVKPFFEJAR-UHFFFAOYSA-N 306.387 1.937 10 10 DDCE COc1cc(N2CC(N3CCCC3)C2)c([N+](=O)[O-])cc1OC 865937800 ZOWRUWGCMPOLSN-UHFFFAOYSA-N 307.350 1.896 10 10 DDCE COC[C@]1(C)CN(Cc2cc3c(cc2O)OC[C@H]3O)CCO1 863342506 FBTCCMHRPMRSHA-ZBFHGGJFSA-N 309.362 1.055 10 10 DDCE CO[C@@H]1CCn2cc(C(=O)NCc3cc(C)ccc3O)nc2C1 869409908 GCKWSRZWOUSEKG-CYBMUJFWSA-N 315.373 1.788 10 10 DDCE Cc1cccc(-n2c(C)cc(C(=O)NC[C@@H](O)[C@H](C)O)c2C)c1 871121162 BUCKUBLVHHTKJZ-WMLDXEAASA-N 316.401 1.874 10 10 DDCE C[C@H](NC(=O)[C@H](O)C1CCOCC1)c1ccc(N(C)C)cc1 775403191 HKJSZRWIZITHGR-BLLLJJGKSA-N 306.406 1.717 10 10 DDCE C[C@@H](NCCC1CS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1O 786946432 SZXIGIDIVKLDIU-SECBINFHSA-N 314.363 1.386 10 10 DDCE COc1cccc(O)c1CN1C[C@@H](O)CC2(CCOCC2)C1 895722628 YBFNBNYFGYLTBP-ZDUSSCGKSA-N 307.390 1.764 10 10 DDCE C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Cc1cnn(C)c1 1138153030 WJYCMEORXXIFGV-RYUDHWBXSA-N 317.389 1.757 10 10 DDCE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN=[N+]=[N-] 1885563630 XHHFOVPMQMGKMS-DTWKUNHWSA-N 301.347 1.077 10 10 DDCE CN(CCNC(=O)COc1ccc(N)cc1)Cc1ccccc1 395707741 DXSNOEPHXFQHAG-UHFFFAOYSA-N 313.401 1.896 10 10 DDCE O=C(O)C1CCN(c2ccc(CNc3nnn[nH]3)cc2)CC1 84830582 VQZWPSMORDJCST-UHFFFAOYSA-N 302.338 1.113 10 10 DDCE Cc1ccc(C(=O)N2CCOC[C@@H]2C(F)(F)F)c(O)c1O 1323605947 SYBBCKQDSQXXAA-SECBINFHSA-N 305.252 1.810 10 10 DDCE C[C@@H](N)c1ccc(N2CCSC[C@@H]2S(C)(=O)=O)c(F)c1 90922721 GQAITCBTXCSTEW-RNCFNFMXSA-N 318.439 1.769 10 10 DDCE NC(=O)Nc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 1440892475 KHEIDVMGOKBDGJ-UHFFFAOYSA-N 301.302 1.770 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1C[C@H]1C(N)=O 1539469360 ZASNQKSWRVJMJR-CABCVRRESA-N 301.390 1.367 10 10 DDCE O=C(Cc1ccc(O)c(O)c1)Nc1ccnn1[C@@H]1CCCOC1 1472261904 QLMMXSLAFDHAQF-GFCCVEGCSA-N 317.345 1.827 10 10 DDCE Cc1c(C(=O)NCc2ccc(O)cc2O)nnn1-c1ccccc1 1638352526 RLCQRBUQZLEJBI-UHFFFAOYSA-N 324.340 1.917 10 10 DDCE Cn1cc(-c2cncc(C(=O)NCc3ccc(O)cc3O)c2)cn1 1643103632 CUJCXVOBCKNGEJ-UHFFFAOYSA-N 324.340 1.823 10 10 DDCE CCC(=O)NC/C=C\CNC(=O)c1ccc(N=NC(N)=O)cc1 1689183945 QHPJQRYNZPDSAC-ABOISZIVSA-N 317.349 1.661 10 10 DDCE CN1CCN[C@H](c2cc(Br)cc(F)c2O)C1=O 1951971597 RNSWADUTJBDCIN-SECBINFHSA-N 303.131 1.397 10 10 DDCE CC(C)(C)OC(=O)N1CCN[C@H](c2cc(O)nc(O)c2)CC1 1952607584 JSIALRMIMZPINN-NSHDSACASA-N 309.366 1.764 10 10 DDCE O=C1Nc2cc(N3CC[C@@H](F)C3)c(Br)cc2[C@H]1O 701676242 XQUUSPRFUYTJTH-KSBSHMNSSA-N 315.142 1.983 10 10 DDCE CS(=O)(=O)[C@H](CNCc1ccc(F)c(F)c1O)C1CC1 2232826597 HLZGMSBRFCYSHC-LLVKDONJSA-N 305.346 1.583 10 10 DDCE CO[C@@H]1[C@H](O)C[C@H]1NCc1c(O)cccc1Br 2249802191 DSFMEXPZUUMDNM-JLLWLGSASA-N 302.168 1.393 10 10 DDCE COC1CN(CCNCc2cccc(Br)c2O)C1 2317705215 DOBXSXPHDBTMMS-UHFFFAOYSA-N 315.211 1.575 10 10 DDCE CN1C(=O)/C(=C\c2ccc3c(c2)OCCO3)C(O)=NC1=S 56693767 WKUKINRANJCNID-TWGQIWQCSA-N 304.327 1.555 10 10 DDCE CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22417444 XBRWYZRJGAOUNT-KRWDZBQOSA-N 318.465 1.567 10 10 DDCE CN(CC1(CO)CC1)C(=O)NCc1ccc(N(C)C)c(F)c1 187078322 SZAZJILZCSBMFO-UHFFFAOYSA-N 309.385 1.806 10 10 DDCE CN(CC(=O)NCc1ccc(N(C)C)cc1)C[C@H]1CCCO1 76299571 KHHOLRCBGVPEKJ-MRXNPFEDSA-N 305.422 1.480 10 10 DDCE O=C([C@@H]1CCCO1)N1CCN(c2ccc3c(c2)OCCO3)CC1 41379967 GXQYNHHBHCMVIQ-HNNXBMFYSA-N 318.373 1.285 10 10 DDCE CCCN(Cc1ccccc1O)C(=O)c1cc(C(N)=O)cn1C 130308884 FNDKDJYFBYGBPL-UHFFFAOYSA-N 315.373 1.882 10 10 DDCE Nc1ccc(CS(=O)(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 227076987 YVGLMZFHEXTSIZ-CABCVRRESA-N 310.419 1.742 10 10 DDCE CCN(CC(N)=O)c1ccc(CNC)c(Br)c1 233444699 VJBYLGKLSJDPIV-UHFFFAOYSA-N 300.200 1.480 10 10 DDCE COC[C@H](O)CN(C)Cc1cc(Cl)cc(C(C)=O)c1O 50157959 MIUGVOPBGMPWFJ-GFCCVEGCSA-N 301.770 1.687 10 10 DDCE O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccccn1 380912238 NIYVVXVDJYNRFM-GXDHUFHOSA-N 307.309 1.744 10 10 DDCE Cn1ccc(CC(=O)NCc2cc(Br)ccc2O)n1 804736088 NHEIVETXPQCDMJ-UHFFFAOYSA-N 324.178 1.747 10 10 DDCE CS(=O)(=O)C1(C(=O)N2CCC[C@H](CN=[N+]=[N-])C2)CCC1 2166701527 HNOOTDHBUYQEDB-SNVBAGLBSA-N 300.384 1.503 10 10 DDCE CC(=O)C(=O)COC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 808491123 MJTLWSDGEUKYKZ-LLVKDONJSA-N 313.350 1.335 10 10 DDCE COC(=O)[C@H](CF)NCc1ccc(Br)cc1O 825940210 PPAJPEYBNYWSHX-VIFPVBQESA-N 306.131 1.755 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Nc3nc(C)no3)C2)cc1 822423376 KJVGEMIWBVKQGZ-LLVKDONJSA-N 317.349 1.787 10 10 DDCE Cc1cc(N(C)C)ccc1CNC(=O)NCCc1cn(C)cn1 838479880 UPLDKKBMHYILAG-UHFFFAOYSA-N 315.421 1.836 10 10 DDCE O=C(c1cccc(O)c1O)N1CCC(Cn2cnnc2)CC1 846468595 BJCDUFLZRLABPE-UHFFFAOYSA-N 302.334 1.242 10 10 DDCE CCON(C)C(=O)CNCc1cc(Cl)cc(OC)c1O 846064973 OYIXOZHXLGRESA-UHFFFAOYSA-N 302.758 1.554 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)Cn3cc(C)cn3)C2)cc1 855229629 KXGGIMMTTDKECP-CQSZACIVSA-N 314.389 1.595 10 10 DDCE O=C1NCC[C@@]1(C(=O)NCc1c(O)cccc1F)C1CCCC1 928710084 GTJPKFCDSNKKOA-QGZVFWFLSA-N 320.364 1.844 10 10 DDCE COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H](C)OC)C2)cc1 852450917 ZLJXTHDBZHIJIV-CHWSQXEVSA-N 307.394 1.608 10 10 DDCE CC(C)C[C@]1(C(=O)N(C)Cc2ccccc2O)CCNC1=O 866596339 DRINMCNMJPYNKB-QGZVFWFLSA-N 304.390 1.903 10 10 DDCE COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2CCN[C@H]2C)cc1 861703760 UMWQGOPDEWXCQJ-XJKSGUPXSA-N 320.437 1.523 10 10 DDCE COc1nnc(NCc2ccc(N3CCOCC3)cc2)s1 765944289 SHEDWHNYGLHNFI-UHFFFAOYSA-N 306.391 1.995 10 10 DDCE CN(C)[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1cncn1C 871204534 FTGZKEJBTPPBDL-OAHLLOKOSA-N 300.362 1.271 10 10 DDCE COC(=O)/C=C\c1ccc(N2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])c1 777822559 FNAWXNBWGIEJGA-KMBMKTKISA-N 320.345 1.988 10 10 DDCE CC(=O)C(=O)COC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 1327136852 HDOYJWOGCCWEFH-UHFFFAOYSA-N 303.314 1.256 10 10 DDCE CS(=O)(=O)[C@@H]1CSCCN1c1ccc(CN)cc1F 90921448 KMSNTNMRLQMSPB-GFCCVEGCSA-N 304.412 1.208 10 10 DDCE C[C@H](NC(=O)C(=O)N(C)Cc1ccccc1O)c1ccns1 1331370890 OUZOPWOAELWDQR-JTQLQIEISA-N 319.386 1.685 10 10 DDCE CC(=O)N1CCC(NC(=O)CN[C@@H](C)c2ccccc2O)CC1 1349690306 XCLIQUWLVCUGDZ-LBPRGKRZSA-N 319.405 1.170 10 10 DDCE Cn1cc(CCCNC(=O)c2ccc(N=NC(N)=O)cc2)cn1 1443019307 VRDARXUQNVFHIQ-UHFFFAOYSA-N 314.349 1.945 10 10 DDCE CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCN1C=O 1540567552 QCBZMDRWMCBVOQ-KRWDZBQOSA-N 315.417 1.866 10 10 DDCE CC(C)CN(CC(N)=O)C(=O)c1ccc(N=NC(N)=O)cc1 1624145178 JEOSFFBVHCFJPU-UHFFFAOYSA-N 305.338 1.433 10 10 DDCE CS(=O)(=O)N1CCC[C@@H](CN2CCC[C@H](N=[N+]=[N-])C2)C1 1912179954 YZPLPEYZWMZSDV-RYUDHWBXSA-N 301.416 1.433 10 10 DDCE C[C@@]1(C(=O)NCc2ccccc2O)Oc2ccccc2NC1=O 1566373735 BTBUNCPFUSBSDU-KRWDZBQOSA-N 312.325 1.798 10 10 DDCE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)c2nn[nH]n2)c1 1641462213 LJTGYVWVWJVSPQ-UHFFFAOYSA-N 324.344 1.696 10 10 DDCE CN(C)C(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 156359151 SIDLFCUURMAJAX-UHFFFAOYSA-N 316.449 1.990 10 10 DDCE NCc1ccc(N2CCn3cnnc3C2)cc1Br 228153426 IHWSQVDRDMONAN-UHFFFAOYSA-N 308.183 1.520 10 10 DDCE Cc1cccc(CNC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1O 1994452375 YEZFHTQDILHHJJ-LBPRGKRZSA-N 324.377 1.202 10 10 DDCE O=C1Nc2cc(N3CC[C@H]3CO)c(Br)cc2[C@@H]1O 2031674442 BPLIZSNJHCBHAR-KGFZYKRKSA-N 313.151 1.006 10 10 DDCE CN(Cc1ccccc1O)C(=O)[C@H](CO)NC(=O)OC(C)(C)C 753836397 UQTYOBIRWDGBPG-LBPRGKRZSA-N 324.377 1.236 10 10 DDCE Cc1cc(O)n2ncc(C(=O)N3CCOC[C@@H]3C3CCC3)c2n1 2063333056 KZHYENIWDRABOV-CYBMUJFWSA-N 316.361 1.384 10 10 DDCE CC(C)C[C@H]1C(=O)NCCCN1C(=O)Cc1ccc(O)c(O)c1 2064322629 GDQWPYAOSZLRLG-ZDUSSCGKSA-N 320.389 1.404 10 10 DDCE CC(C)(NS(=O)(=O)CCOc1ccc(N)cc1)C(F)F 2179955344 YYJNHXURAFPNQD-UHFFFAOYSA-N 308.350 1.611 10 10 DDCE CN(c1cc(Cl)c(CN)cc1F)[C@@H]1CS(=O)(=O)C1(C)C 2177381681 PVGXRDNSVQGTHF-GFCCVEGCSA-N 320.817 1.950 10 10 DDCE NCc1cc(F)c(N2CCO[C@@H]3COCC[C@@H]32)cc1Cl 2177391314 PUWRGGYGRYAVFO-GXTWGEPZSA-N 300.761 1.932 10 10 DDCE COC(=O)CNCc1c(Br)ccc(OC)c1O 2214883317 UCSFLFLZBQNKKJ-UHFFFAOYSA-N 304.140 1.426 10 10 DDCE CN(Cc1nn(C)nc1Br)c1ccc(CN)cc1 2219813101 KRSNQIMVFWIQSJ-UHFFFAOYSA-N 310.199 1.673 10 10 DDCE CSc1ncc(CNC(=O)[C@H](N)Cc2cncs2)s1 2269193899 PNIAGWSCMMKMNA-SECBINFHSA-N 314.461 1.508 10 10 DDCE