smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC1=COC(CCl)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587684786 MNQNSGHCKUMRDF-JDNHERCYSA-N 388.664 3.958 50 1 GHGF NNC(=O)c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783743 GIXTVNLCBREUBS-JYRVWZFOSA-N 384.439 3.916 50 1 GHGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3ccccn3)cc2)o1 1772577393 AQNJQPFQWXRUIH-ZVHZXABRSA-N 399.410 3.571 50 1 GHGF COc1cc(C=CC=O)ccc1O[C@H](C)Cc1cc(OC)c(OC)c(OC)c1 2356349113 SFBXSVRVKLGYSH-OAHLLOKOSA-N 386.444 3.943 50 1 GHGF COc1cc(/C=C(\C#N)C(N)=O)cc(CSCc2ccc(Cl)cc2)c1O 13833847 LSTSYXGQPRASQW-MKMNVTDBSA-N 388.876 3.880 50 1 GHGF COC(=O)CC[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687132 FUUIEWSHWGWLAC-BJOHPYRUSA-N 378.669 3.510 50 1 GHGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)C[C@H](Br)[C@H]2C[C@H]1O2 2356571425 QVSXXUNREJZJAN-MNQBEEPXSA-N 392.131 3.818 50 1 GHGF CC(=O)c1ccc2c(c1)[C@](C)(CCCl)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962621427 JQOJIYYYVAECRL-JXFKEZNVSA-N 395.883 3.980 50 1 GHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc3c(c1)CCN3C=O)CC2=O 587462282 XECFSHMXMGIAAG-JOCHJYFZSA-N 399.874 3.963 50 1 GHGF Cc1c(N2C(=O)[C@@H](Cl)[C@H]2/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C 6041461 SBQGZHQEWIAIDO-XZQKKESVSA-N 393.874 3.520 50 1 GHGF CCCCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccc(OC)cc21 40424816 JPFBMGPXKCTWDP-ATJXCDBQSA-N 379.460 3.756 50 1 GHGF COC(=O)[C@]1(CCCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326419 LIKNGEQXBHIEKI-YLJYHZDGSA-N 392.810 3.821 50 1 GHGF CC(=O)N/N=c1\ccn(C2CC2)c2c(F)c(-c3cc(C)nc(C)c3)c(F)cc12 27325701 PQTUWCKTVROXHM-NLRVBDNBSA-N 382.414 3.885 50 1 GHGF CCCCCC#CCOC(=O)C(=[N+]=[N-])P(=O)(c1ccccc1)c1ccccc1 73417591 UHTKGZIQTSOTIA-UHFFFAOYSA-N 394.411 3.756 50 1 GHGF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@@H](Br)CBr 587279012 DAVFLAACIBOZQW-VIFPVBQESA-N 376.988 3.682 50 1 GHGF O=C([C@@H]1Cc2ccccc2[C@]2(CCCC[C@@H]2Br)N1)C(F)(F)F 962760188 DLSMBPABTUNHOL-YDHLFZDLSA-N 376.216 3.865 50 1 GHGF CC(C)[C@@H]1CC[C@H](O)[C@@H]2[C@@H]3[C@](C)(C=CC(=O)[C@@]3(C)O)CC[C@]12CBr 2356378618 REIJBRJPDFHYHQ-ALBJMUOFSA-N 399.369 3.717 50 1 GHGF O=C(/C=C\[C@@H]1CC[C@@H](CC(=O)OCc2ccccc2)OO1)OCc1ccccc1 72175716 PNRATPONFZAJCF-JWWMHJHTSA-N 396.439 3.899 50 1 GHGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(C#N)c1)[C@@H](C2)C3=O 587413228 FRGRBKBFZPHIJC-KXBFYZLASA-N 384.229 3.605 50 1 GHGF O=C(N/N=C/c1ccc(Br)cc1O)c1ccc(Br)cc1 1857583035 QLRCTIVFJXCVBT-CAOOACKPSA-N 398.054 3.681 50 1 GHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(CCl)c(F)c1 587894341 ZJJATJRYMISDLU-UHFFFAOYSA-N 385.653 3.977 50 1 GHGF Nc1ccc(SSCCNC(=O)[C@@H](Cc2cc(F)cc(F)c2)N=O)cc1 169717444 AVIUIZIPJNMQJN-MRXNPFEDSA-N 397.472 3.781 50 1 GHGF COc1cc2c3c(c1)O[C@@](/C(C#N)=C\N(C)C)(c1ccccc1Cl)[C@@H](C2)C3=O 587420551 QGSWIQPRTFXRPJ-NOHHUPRQSA-N 394.858 3.961 50 1 GHGF CC[C@]1([C@@H](Cl)C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587690119 ZHCCWWFDHIMCLV-IIRLODAESA-N 378.669 3.508 50 1 GHGF C/C(=N\NC(N)=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCCC1 84709373 XAEKIQHTXWJCRQ-AFUMVMLFSA-N 376.464 3.996 50 1 GHGF CCCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1 299841045 XOLQOZFRUOKAII-KVSKMBFKSA-N 396.318 3.876 50 1 GHGF Cc1sc2c(c1C)CCN[C@@]2(CBr)[C@@H]1COc2ccccc2O1 963008124 JNZLENLGIAXIBO-WMZOPIPTSA-N 394.334 3.941 50 1 GHGF Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)o1 73168910 BIZKTJBXZBTWJR-XNTDXEJSSA-N 377.356 3.980 50 1 GHGF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCl)[C@H]3CC[C@@H]12 26002664 OSAGKXBELTUPHH-RFGFHXCZSA-N 389.967 3.989 50 1 GHGF CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421512 MRWJLBNMFATUDF-SZNDQCEHSA-N 387.863 3.978 50 1 GHGF COC(=O)[C@@]1(CBr)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963195636 PHQCRWQBVPUFCA-UYAOXDASSA-N 399.288 3.573 50 1 GHGF O=C(N/N=C/c1cc(C(F)(F)F)ccc1O)c1cccc(Br)c1 1857598082 XPOQGEZZGOTZLD-DNTJNYDQSA-N 387.155 3.937 50 1 GHGF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2[C@@H](Cl)C(C)=O)cc1 28950936 XBEVZRUEOZSTOW-RBUKOAKNSA-N 389.835 3.616 50 1 GHGF COc1cc2c3c(c1)O[C@@](CCl)(c1nnc(-c4ccccc4)o1)[C@@H](C2)C3=O 587421434 LZFUTKNPEVJGSU-VBKZILBWSA-N 382.803 3.627 50 1 GHGF CS(=O)(=O)c1ccc2[nH]c(-c3ccc4c(c3)OCCO4)c(CCl)c2c1 587650115 XNFHCMZCXIEACE-UHFFFAOYSA-N 377.849 3.748 50 1 GHGF NNC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587092888 HULCONDIXWSOKH-UHFFFAOYSA-N 388.271 3.871 50 1 GHGF CCOC(=O)C[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325667 GMOCMTOMSWFWDJ-ICSRJNTNSA-N 392.810 3.821 50 1 GHGF COC(=O)c1cnc2c(cnn2C[C@H](Cl)c2ccccc2)c1N1CCCC1 13675418 MPVRWJXREOGINS-KRWDZBQOSA-N 384.867 3.798 50 1 GHGF COc1cccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1F 587384782 ISJACDQWLOLJFS-GOSISDBHSA-N 394.240 3.981 50 1 GHGF N#CC1=C(N)n2nc(N)c(Cc3ccc(Cl)cc3)c2N[C@@H]1c1ccccc1 957608742 WWOLDQLFNGQLIY-QGZVFWFLSA-N 376.851 3.527 50 1 GHGF C[C@H]1Oc2ccc(F)cc2[C@@H]2[C@@H]1C=C(C=O)[C@@H](C)[C@]21C(=O)Nc2ccccc21 1772640469 CMJJSAVUMMDSAZ-XBJPQDNYSA-N 377.415 3.972 50 1 GHGF CC1=CC[C@@](C(=O)O)(C(=O)N/N=C/c2cccs2)[C@H](c2ccc(F)cc2)C1 1096715 WACBOZFMUUSWSD-FDAWLNKWSA-N 386.448 3.932 50 3 GHGF O=[N+]([O-])c1c(Br)ccc2nc(CCCCBr)[nH]c12 586972125 HHSXZOJRLDXPOT-UHFFFAOYSA-N 377.036 3.951 50 1 GHGF COC(=O)c1ccc2[nH]cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2c1 587370745 BLSYJTPNJXGDLH-NRFANRHFSA-N 398.846 3.945 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(N3CCOC3=O)cc1)O2 587372758 MUUMCHOQDDPIQR-FQEVSTJZSA-N 386.835 3.633 50 1 GHGF C[C@H]1Oc2ccccc2[C@@H]2[C@@H]1C=C(C=O)[C@@H](C)[C@]21C(=O)Nc2ccc(F)cc21 1772605447 FWJYSNZWUPLSID-WCXKZXLOSA-N 377.415 3.972 50 1 GHGF CCOC1=C/C(=C\C(C#N)=C2/N=C(c3ccc(C)cc3)NO2)C=C(Cl)C1=O 34857558 GZSBODKVDPYDNF-MXBYZYADSA-N 381.819 3.564 50 1 GHGF C/C=C/[C@H]1C[C@@H]([C@@H]2C[C@@H]([C@@H](CCCCCCCC(=O)OC)OO)OO2)OO1 231929753 WBDZRMWZSZDXFJ-CYZSEEAFSA-N 388.457 3.503 50 1 GHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccnc(Cl)c1)[C@@H](C2)C3=O 587412544 ITVUHQJGUAZRFE-YVEFUNNKSA-N 394.652 3.781 50 1 GHGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OCCCCCCCCn1ccnc1 13821505 KDUSGJPGTVISRL-QGOAFFKASA-N 383.448 3.785 50 1 GHGF COC(=O)CC[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587690166 ZTQIJTQHKHXNHB-BJOHPYRUSA-N 378.669 3.510 50 1 GHGF C#CCC=C[C@@H]1O[C@@H]1C[C@H](Br)[C@@H]1C[C@@H](Br)[C@@H](CC)O1 2356313084 RZSMWPNJSDYQTJ-BYGOPZEFSA-N 392.131 3.818 50 1 GHGF O=C(NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)c1cccnc1 49774538 WCMXEGXIQROGNP-UHFFFAOYSA-N 398.503 3.829 50 1 GHGF CNc1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1 653893461 RMTFMGCWAHTSGU-GEVRCRHISA-N 396.316 3.986 50 1 GHGF CNc1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)s1 653897467 SZVXSVWFOYLGPO-GEVRCRHISA-N 396.316 3.986 50 1 GHGF N#C/C(=C/c1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587187021 CIPUWQMBOSKVFE-WQLSENKSSA-N 377.347 3.921 50 1 GHGF Cc1n[nH]c2c1[C@H](c1cccc(OCc3ccc(F)cc3)c1)C(C#N)=C(N)O2 4167626 UPHCEZNMFVFZTH-LJQANCHMSA-N 376.391 3.654 50 1 GHGF CCC(=O)Nc1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587416740 DKXIQETZBGIIOW-IERDGZPVSA-N 385.847 3.925 50 1 GHGF CCOC(=O)[C@H](Cl)[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688650 MUKULXALPYASRF-IJQVFZPHSA-N 392.696 3.898 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@H]1CCN1C(=O)OC(C)(C)C)O2 587374830 ZPNUEAKQNFGBDR-DNVCBOLYSA-N 380.872 3.529 50 1 GHGF COc1ccc2c(c1)c([C@@]1(CCl)NCCc3c(C(=O)O)cccc31)c(C)n2C 963126683 WTNROIKTLJLYFO-QFIPXVFZSA-N 398.890 3.822 50 1 GHGF [C-]#[N+]C1=C(c2ccc(F)cc2)N=C2COC(=O)[C@@H]2[C@@H]1c1cc2cn[nH]c2cc1F 169703253 GUZNKTXJGSLGLH-ROUUACIJSA-N 390.349 3.840 50 1 GHGF O=C(NCc1cn(-c2ccc3ncsc3c2)nn1)Nc1cccc(CCl)c1 96908814 VEHRNURUSJRTNO-UHFFFAOYSA-N 398.879 3.938 50 1 GHGF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1NC(=O)[C@@H](C)Cl)[C@@H](C2)C3=O 587418165 SGPHPOCWPOYYMD-JSKPFOEOSA-N 385.847 3.924 50 1 GHGF COc1ccc(Cl)cc1C#CC1=CN/C(=C(/C#N)C(=O)OC(C)(C)C)C=C1 587912472 JFDPGJKXFUIKER-ZCXUNETKSA-N 382.847 3.863 50 1 GHGF CC[C@H](OO)[C@H]1C[C@@H]([C@@H]2C[C@@H](/C=C/CCCCCCC(=O)OC)OO2)OO1 231929769 HDHNZAODPDSIEW-XNUADNNGSA-N 388.457 3.503 50 1 GHGF COc1ccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587411231 CLDQMMNHZYTMBP-BEFAXECRSA-N 389.245 3.742 50 1 GHGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(F)c1)[C@@H](C2)C3=O 587426328 CFDMRYINSIMKJA-KBXCAEBGSA-N 377.209 3.872 50 1 GHGF COc1cccc2c3c(cnc12)CCN[C@@]3(CBr)c1cccnc1C 963048541 STJUNRGPCBHLOF-FQEVSTJZSA-N 398.304 3.731 50 1 GHGF C#CC=CC[C@H](Br)[C@@H]1C[C@@H]2O[C@H]([C@@H](Br)CC)C[C@H]2O1 2356792222 JLVBZCAWMKVCPP-UQGHGMQMSA-N 392.131 3.818 50 1 GHGF CC[C@H](Br)[C@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414472 MKPYMRNQTUQMDK-FRIZHTMISA-N 388.261 3.907 50 1 GHGF O=C(CCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1)N/N=C/c1ccccc1 1772652251 DZAUXYHZNRVZEC-VAHWYXDJSA-N 398.466 3.794 50 1 GHGF CC(C)(C)OC(=O)NN(c1nc(C#N)ncc1Br)C1CCCCC1 58582308 ICAMRCNVPILGQU-UHFFFAOYSA-N 396.289 3.690 50 1 GHGF CCCN(CCC)Cc1cccc(/C=N\NC(=O)c2ccncc2)c1OCC 103223909 UUDABCKBBHEJDD-JLPGSUDCSA-N 382.508 3.866 50 1 GHGF Cc1ccc(/C=C2\CN(C)C[C@H]3C(c4ccc(C)cc4)=C(C#N)C(=O)N[C@@H]23)cc1 31904892 CTVVSFYHMWPGST-KWJXYXLKSA-N 383.495 3.724 50 1 GHGF C#CCCC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 84714023 GOSNBEGLKSLITO-UHFFFAOYSA-N 398.640 3.572 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOC[C@H]2Br)N1 587684514 RDFHYIUMNIKMTE-GFWSLJDESA-N 393.094 3.502 50 1 GHGF C#C/C=C/C[C@H]1O[C@H]([C@H](Br)CC)C[C@@H](Br)[C@@H]2C[C@H]1O2 195516873 QVSXXUNREJZJAN-LTDQIJIDSA-N 392.131 3.818 50 1 GHGF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2C[C@@H]2C2=C(COC2=O)[C@H]1[C@@H](C)CC=CC(C)(C)OO 2356517734 SDGDVGLXQFITGK-BQZATALTSA-N 392.492 3.914 50 1 GHGF CN1CCc2cnn(C)c2[C@@]1(c1cccc(CBr)c1)C(F)(F)F 963956829 ZNPRQNHVWAUILU-HNNXBMFYSA-N 388.231 3.609 50 1 GHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](C[C@H](O)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103104461 VUTVZSWSUBSHAX-ZLPQVMMXSA-N 380.403 3.550 50 1 GHGF CN(C)CCSSCCNC(=O)c1ccc(Oc2ccc(O)cc2)cc1 618008754 KFEBLOTZMFZZDL-UHFFFAOYSA-N 392.546 3.857 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C#N)s1)O2 587410835 QEAYVYDIKKNSNL-MRXNPFEDSA-N 377.263 3.766 50 1 GHGF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(C(=O)NN)cc3[nH]2)c1 586882397 RMIJKFBACZTJMF-UHFFFAOYSA-N 384.439 3.681 50 1 GHGF CN(C)c1cc[n+](C(C=C(C#N)C#N)=C(O)c2ccc(Br)cc2)cc1 1857742441 FXAFWMGCEFEFJL-UHFFFAOYSA-O 396.268 3.660 50 1 GHGF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc(CCl)c1O)[C@@H](C2)C3=O 587422476 PSSXZUZJWZKUGE-SGTLLEGYSA-N 375.764 3.537 50 1 GHGF CCOc1ccc(Br)cc1C(=O)NN/C=C1\C=Nc2ccccc21 12473542 MGMLUDLDHLRAMR-VAWYXSNFSA-N 386.249 3.839 50 3 GHGF Cc1c(N2C(=O)[C@H](Cl)[C@@H]2/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C 1662664 SBQGZHQEWIAIDO-KOSVWKSTSA-N 393.874 3.520 50 1 GHGF CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCl)(c1cccs1)CC2=O 587496356 WLTAEWNUTUVFNE-IBGZPJMESA-N 393.892 3.622 50 1 GHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CCCC(=O)N4)[C@@H](C2)C3=O 587419599 FIIOLVMUXCIQRJ-KSFYIVLOSA-N 397.858 3.852 50 1 GHGF NNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 166882857 FKQJZBFKGHJRAZ-DHZHZOJOSA-N 387.468 3.883 50 1 GHGF N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)CCC2)[C@H]1c1ccccc1F 2500557 XROKJNKCNMXYRO-FQEVSTJZSA-N 384.414 3.891 50 3 GHGF Cc1cc(N2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2n1 95568959 MJCKCSRESUVXIX-UHFFFAOYSA-N 392.415 3.772 50 3 GHGF O=C1C[C@](CCl)(Cn2nnc3ccccc32)Oc2c1ccc1c2CCCC1 587497533 IXEKBGQUFLYYAI-NRFANRHFSA-N 381.863 3.953 50 1 GHGF CN1CCc2cnn(C)c2[C@]1(c1cccc(CBr)c1)C(F)(F)F 963956830 ZNPRQNHVWAUILU-OAHLLOKOSA-N 388.231 3.609 50 1 GHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Br)[C@@H](OC(C)=O)C=C[C@H](CC)O1 2356785482 AGJWJXGLNWTDOA-WOYTXXSLSA-N 389.717 3.992 50 1 GHGF O=C(N/N=C\c1ccc2c(c1)OCO2)c1cc(-c2ccco2)nc2ccccc12 38332110 AUSQPHNVBOJYEU-FMCGGJTJSA-N 385.379 3.987 50 1 GHGF CCO/C(C)=C(\C#N)c1nc(-c2ccc(N(CC)S(C)(=O)=O)cc2)cs1 587922289 AXWBBLFYXGLMTR-DTQAZKPQSA-N 391.518 3.887 50 1 GHGF COc1cc2c3c(c1)O[C@](CBr)(c1cccc(C#N)c1)[C@@H](C2)C3=O 587413227 FRGRBKBFZPHIJC-HNAYVOBHSA-N 384.229 3.605 50 1 GHGF CCOC(=O)[C@H](Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323939 OBGFIEAHUMOIBQ-XKGZKEIXSA-N 392.810 3.819 50 1 GHGF Fc1ccc([C@@H](Cl)Cn2ncc3c(NCc4ccncc4)ncnc32)cc1 71329404 JKEOLUJTQXIYQJ-KRWDZBQOSA-N 382.830 3.953 50 1 GHGF CCCCCC[C@@]1(C)SC(=O)C=C1OCC(=O)NCCCBr 13609104 WJGBQFBXROEEAA-MRXNPFEDSA-N 392.359 3.791 50 1 GHGF CC(=O)Nc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c(F)c1 587384842 JOJCBWQTTJIVFU-LJQANCHMSA-N 376.815 3.774 50 1 GHGF CCOC(=O)[C@H](Cl)[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587688651 MUKULXALPYASRF-OELKAKTESA-N 392.696 3.898 50 1 GHGF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)[C@@H](C)Cl)c1)[C@@H](C2)C3=O 587417570 NZIGOXHWYMAUTG-DBLBYYFGSA-N 385.847 3.924 50 1 GHGF CCC[C@@H](Br)C1=C(Br)/C(=C/Br)OC1=O 64564861 ZFDZFWBLOUWEDW-WEWOIACBSA-N 388.881 3.992 50 1 GHGF CCCNc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(OC)cc1 1772587015 DSCJTKDQYVJEBM-FOKLQQMPSA-N 380.370 3.695 50 1 GHGF CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccccc4)[C@@]13OO2 100830799 NMQWAJYVBNLOLN-GZSKETOLSA-N 376.449 3.850 50 1 GHGF C[C@@H]1CC[C@@H](N(NC(=O)OC(C)(C)C)c2nc(C#N)ncc2Br)C1 64361311 MNSIDRNNSLGBMP-GHMZBOCLSA-N 396.289 3.545 50 1 GHGF CC[C@H]1C=C[C@@H]([C@@H]2C[C@@H]([C@@H](CCCCCCCC(=O)OC)OO)OO2)OO1 231929792 LWTWZXHNYOALAJ-ADHGMGHFSA-N 388.457 3.503 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC[C@H]2Br)N1 587684520 RDFHYIUMNIKMTE-WZYXQFPFSA-N 393.094 3.502 50 1 GHGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(OC(F)(F)F)c1 13586182 RDBXIDLLEAMBBP-KRWDZBQOSA-N 375.350 3.869 50 1 GHGF CC(C)(c1ccc(S(=O)(=O)/C=C/C#N)cc1)c1nnc(Nc2ccccc2)o1 147450265 JILWGOZAXGBIDY-MKMNVTDBSA-N 394.456 3.950 50 1 GHGF C[C@@]1(C(Cl)=CBr)O[C@H]1C[C@@H](O)[C@@](C)(Br)CCl 2356442460 CXVSMEZMNLCDFI-KATARQTJSA-N 396.934 3.762 50 1 GHGF N#CC1=C(NC(=O)Nc2ccccc2)N(c2ccccc2)C(=S)N2CCC[C@@H]12 96935411 YKNMEICDDDEALI-SFHVURJKSA-N 389.484 3.813 50 1 GHGF CCOc1ccc(C2=CS/C(=C(C#N)/C=C3/C=CC(=O)C([N+](=O)[O-])=C3)N2)cc1 15973858 MBIROHSZXKNARX-UZNKBILISA-N 393.424 3.681 50 3 GHGF O=C(N/N=C/CCCCCCCc1cccc(O)c1C(=O)O)c1ccncc1 28707228 IXIZKBLFGKXQTP-YDZHTSKRSA-N 383.448 3.784 50 1 GHGF CCOC(=O)/C=C/[C@H]1OCC/C(=C\C(=O)OCC)[C@@H]1O[Si](C)(C)C(C)(C)C 194825916 KMIDZCCXFVBCOX-JRXXWWDQSA-N 398.572 3.775 50 1 GHGF C=C(C=O)[C@]1(O)C[C@@]2(C)C(=CC1=O)C=C[C@H](OC(=O)/C=C/C=C/[C@@H](C)CC)[C@@H]2C 34497107 GIUVFWDLNFDKHT-PKSNHMFESA-N 398.499 3.654 50 1 GHGF NNC(=O)c1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1 587051151 YARXRGRQFWSHLY-UHFFFAOYSA-N 390.830 3.966 50 1 GHGF C[C@@H]1C=C[C@H](COC(=O)CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)OO1 101427769 STSVRDMCXUJUHA-RMSHODLTSA-N 385.298 3.929 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccnc(Cl)c1)O2 587372550 JPSQBMCXPGYWTR-MRXNPFEDSA-N 381.657 3.881 50 1 GHGF CO[P@@](=O)(c1cc(C)cc(Cl)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 145387426 ZNDCTHSSHGTRJD-VWLOTQADSA-N 397.198 3.757 50 1 GHGF NNC(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587078309 NUUOIQYWKCWZGG-JCGVRSQUSA-N 379.851 3.646 50 1 GHGF CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@H](C)CBr)on1 95599097 CYQMAAIMVOLYLY-GFCCVEGCSA-N 378.270 3.919 50 3 GHGF NNC(=O)c1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783744 GIXTVNLCBREUBS-MDWZMJQESA-N 384.439 3.916 50 1 GHGF CC(=O)N1c2ccc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)cc2C[C@H]1C 587371859 HIKOYQUQDKSJPI-DMZKTXOQSA-N 398.890 3.974 50 1 GHGF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc(CCl)c1O)[C@@H](C2)C3=O 587422466 PSSXZUZJWZKUGE-KPZWWZAWSA-N 375.764 3.537 50 1 GHGF CN1C(=O)C=C[C@@]2(C)[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#CCCCl 26002658 OSAGKXBELTUPHH-ZQPKRWIZSA-N 389.967 3.989 50 1 GHGF COc1cccc2c3c(cnc12)CCN[C@@]3(C)[C@H](Cl)C(=O)Nc1ccccc1 963072267 YDDBLRSARWEMCE-IFMALSPDSA-N 395.890 3.850 50 1 GHGF CC(C)(C)[C@@]1(CBr)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962968601 CWJOMPRMJXEKRI-BMIGLBTASA-N 396.659 3.853 50 1 GHGF CC[C@]1([C@H](Cl)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324927 VUHIQTLRWGNSHV-HQRMLTQVSA-N 392.810 3.819 50 1 GHGF CN(C)CCSSCCN(C)C(=O)c1ccc(OC(F)(F)F)cc1 618009796 JNXWAFHBKIKRNZ-UHFFFAOYSA-N 382.473 3.600 50 1 GHGF C[C@@]12Oc3ccc(F)cc3[C@H](O)[N@]1[C@H]2P(=O)(c1ccccc1)c1ccccc1 1857545763 PMLDFXTYFJCAOD-GRSYGWAWSA-N 395.370 3.581 50 1 GHGF O=C(CNc1cccc(F)c1Cl)N/N=C/c1cccc(Br)c1 96167318 PLLUKMFYKKOATE-DNTJNYDQSA-N 384.636 3.804 50 1 GHGF COc1cc(/C(=C/C=O)c2ccc3c(c2)c(C=O)cn3C)cc(OC)c1OC 96903413 XYBULASRKICWPI-REZTVBANSA-N 379.412 3.647 50 1 GHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1ccccc12 587839718 GKKADBAMDKFGBJ-WLRWDXFRSA-N 388.236 3.841 50 1 GHGF CC[C@H](OO)[C@@H]1C[C@H]([C@@H]2C[C@H](/C=C/CCCCCCC(=O)OC)OO2)OO1 102183043 HDHNZAODPDSIEW-ZCUISUNXSA-N 388.457 3.503 50 1 GHGF [C-]#[N+][C@@H]1[C@]2(O)C(=O)c3c(NC=O)cccc3C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)C=C 238753308 MCXMMTXVFGCBFA-JBJCYXPGSA-N 386.879 3.567 50 1 GHGF O=C(NNc1nncc2ccccc12)[C@@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 49111976 JBURNXGBLGPNRU-HZPDHXFCSA-N 388.349 3.775 50 1 GHGF CC[C@]1([C@@H](Cl)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324932 VUHIQTLRWGNSHV-QRFRQXIXSA-N 392.810 3.819 50 1 GHGF Cc1c(C(=O)N/N=C\c2ccc(Br)cc2O)oc2cccc(O)c12 1911572246 YUZRXRUQBSLWQQ-UWVJOHFNSA-N 389.205 3.679 50 1 GHGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1 58498843 SPUBJHRKQCFZAS-LPYMAVHISA-N 385.383 3.902 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@@H]1CCCN1C(=O)OC(C)(C)C)O2 587372007 JBCNMHUDQZKJQG-JXFKEZNVSA-N 394.899 3.920 50 1 GHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(Cl)cnc2[nH]1 587009848 WAGKVRAKVBXXNA-AWEZNQCLSA-N 388.258 3.731 50 1 GHGF C[C@@]1(C(=O)CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321254 IMPPCUKEFUZWAY-WMZOPIPTSA-N 393.208 3.613 50 1 GHGF CC(=O)Nc1ccc([C@@]2([C@H](C)Cl)c3ccsc3CCN2C(N)=O)cc1 962718111 YKLAXHDYNUMBKK-VOJFVSQTSA-N 377.897 3.514 50 1 GHGF CCCN[P@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCCl)CCCl 101344796 VNZOSEQCPJJMEU-QHCPKHFHSA-N 388.188 3.592 50 1 GHGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H]([C@H](Br)CC)C[C@H]2Br 2356635480 ZZAINMHCOZIURO-SPJHXALWSA-N 392.131 3.818 50 1 GHGF O=C(CCCCBr)c1c(CO)oc2cc(Br)cnc12 587274657 XWSHNPJROHGJRI-UHFFFAOYSA-N 391.059 3.831 50 1 GHGF CN1C(=O)C[C@H]2CN[C@@](CBr)(c3ccccc3F)c3cccc1c32 963018812 COTLDAJPRYULNR-BUXKBTBVSA-N 389.268 3.518 50 1 GHGF CCOP(=O)(OCC)[C@H]1C(C#N)=C(N)Oc2ccc(Br)cc21 103249359 MIKBTZHMIUMHJL-CYBMUJFWSA-N 387.170 3.843 50 1 GHGF CC1(C)C(CSSC[C@H](N)C(=O)O)=C(c2ccccc2)C(C)(C)[N+]1=O 53683172 QYUQBTDVKOREGR-AWEZNQCLSA-O 381.543 3.583 50 1 GHGF in-vivo CC1=C(C#N)[C@H](c2cccc3c(=O)cc(C)oc23)C(C(=O)OC(C)C)=C(C)N1 115844882 KMSZTYADDFBBOT-FQEVSTJZSA-N 378.428 3.811 50 1 GHGF COc1cc2c3c(c1)O[C@](c1ccc(NC(C)=O)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587418623 UMUKCGJUKLTFSF-XABWTFMKSA-N 385.847 3.924 50 1 GHGF N#CC1=C(N2C(=O)CCC2=O)Oc2c(ccc3ccccc23)[C@H]1c1cccnc1 38896347 DYZCISMGJIGFDY-OAQYLSRUSA-N 381.391 3.643 50 1 GHGF C[C@]1(/C(Cl)=C/Br)O[C@@H]([C@@](C)(Br)CCl)C[C@@H]1O 136131762 KUMNGEFTSKDDEM-MUBNBVIASA-N 396.934 3.762 50 1 GHGF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCl)[C@@H]3CC[C@@H]12 169289944 OSAGKXBELTUPHH-UCKAWJCSSA-N 389.967 3.989 50 1 GHGF CC[C@H](C)[C@@H](C(=O)N/N=C\c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 473172548 XKDGALMVBDIMOF-MDQKUCICSA-N 397.862 3.501 50 1 GHGF CCc1ccc2c(c1)[C@@]1(NCCc3cc4cccc(OC)c4nc31)C(C#N)=CO2 963039093 TWFLLWWWDYQAPI-DEOSSOPVSA-N 383.451 3.995 50 1 GHGF C[C@@]12CC[C@@]3(CCC(=O)NC45CC6CC(CC(C6)C4)C5)[C@](C)(OO[C@@]3(C)O1)O2 254093852 SYZVJHXSUDKPSR-WABKBHPZSA-N 391.508 3.789 50 1 GHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(CBr)C2 587537400 DVVLGPYVZCVDGW-AAEPOTHZSA-N 375.218 3.898 50 1 GHGF COc1ccc2c(c1)c(CCNC(C)=O)c1n2CC(c2ccccc2)=C(C#N)C1=N 40602101 INWZBOMRACAFML-UHFFFAOYSA-N 398.466 3.687 50 1 GHGF CC(=O)c1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587009983 YIYARZITRPHBTA-IBGZPJMESA-N 394.862 3.886 50 1 GHGF CCN(CC)S(=O)(=O)c1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1 587188672 UOUHCRSWYAGOPU-VBKFSLOCSA-N 380.473 3.658 50 1 GHGF CC(C)(F)[C@@H](Br)c1nc2cc(I)cnc2[nH]1 587087862 XGLWJMTVEMNVPN-ZETCQYMHSA-N 398.017 3.747 50 1 GHGF COC(=O)[C@]1(CCCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326415 LIKNGEQXBHIEKI-FXAWDEMLSA-N 392.810 3.821 50 1 GHGF CCOC(=O)CC[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544993 PVMKQBZNJZXDFH-YLJYHZDGSA-N 390.819 3.675 50 1 GHGF O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccc(Cl)cc2)c1 1857553102 YDMOXQFXDKRCSO-UHFFFAOYSA-N 386.860 3.630 50 1 GHGF CN(C)CCSSCCCNC(=O)c1ccc(Br)s1 618012538 OBNRJGJFKJSLAJ-UHFFFAOYSA-N 383.402 3.574 50 1 GHGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21C(C=O)=COc2cc(C)c(Cl)cc21 963633395 HXHUNQDRNIPQOP-MCMMXHMISA-N 399.874 3.919 50 1 GHGF N#CC1=C(/N=C/NN)Oc2c(ccc3cccnc23)[C@H]1c1ccc(Cl)cc1 103185968 TXRDCXXSLAWFBG-QGZVFWFLSA-N 375.819 3.639 50 1 GHGF COc1ccc([C@]2(CCCCl)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963507578 IIPJLJSJZOYUOQ-RXVVDRJESA-N 389.879 3.571 50 1 GHGF CCOC(=O)C[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689487 TVSYQIREQDLRQN-PSLIRLAXSA-N 378.669 3.510 50 1 GHGF COc1cccc2c3c(cnc12)CCN[C@@]31C(C=O)=COc2cc(C)c(C)cc21 963061878 ZCJYMQQIEJNYJI-XMMPIXPASA-N 386.451 3.725 50 1 GHGF N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1cc2c(cc1Cl)OCO2 4165102 NUWSSMHEPKUQBY-AWEZNQCLSA-N 398.831 3.738 50 1 GHGF CC(C)(NC(=O)CCl)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587009755 QUENHBKWYRQURR-UHFFFAOYSA-N 398.610 3.934 50 1 GHGF COC(C)(C)[C@@H](Br)c1nc2c(F)cnc(Br)c2[nH]1 586970756 FYCVFWYDNFGHIV-QMMMGPOBSA-N 381.043 3.721 50 1 GHGF CN1CCc2c(Br)cccc2[C@@]1(CBr)c1cccnc1 963289668 QEEODPCADCQZLW-MRXNPFEDSA-N 396.126 3.971 50 1 GHGF CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587373128 PYGLHMQARSOISS-FQEVSTJZSA-N 390.867 3.798 50 1 GHGF Cn1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587327601 QDXWBTFCPPEJAV-UYAOXDASSA-N 386.810 3.758 50 1 GHGF CC(=O)N1CCc2cc([C@]3([C@@H](C)Cl)CC(=O)c4cc(C)cc(N)c4O3)ccc21 587373540 RIGLDWXEQZDWQK-MCMMXHMISA-N 398.890 3.974 50 1 GHGF N#C/C(=C(/O)COC(=O)COc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 101812955 RWHNTTZTBVOSFP-VKAVYKQESA-N 383.791 3.631 50 1 GHGF aggregator COc1cccc([C@H](C)NC(=O)/C(C#N)=C/c2cccc(Br)n2)c1 73166109 WQIRXSYIBMXREK-IGVUGNCQSA-N 386.249 3.637 50 1 GHGF CN(C)CCOc1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 1772600518 SWIHZSMWLXUWLK-CIAFOILYSA-N 380.275 3.698 50 1 GHGF COC1=COC(CCl)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587684787 MNQNSGHCKUMRDF-XXFAHNHDSA-N 388.664 3.958 50 1 GHGF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(C(=O)NN)cc3[nH]2)c1 587159545 RDMZZPWXFKTPMU-UHFFFAOYSA-N 390.418 3.572 50 1 GHGF CC(C)[C@@H]1CC[C@H](O)[C@@H]2[C@@H]3[C@](C)(C=CC(=O)[C@@]3(C)O)CC[C@@]12CBr 2356378621 REIJBRJPDFHYHQ-XQNZHQRGSA-N 399.369 3.717 50 1 GHGF CC[C@H]1C=C[C@H]([C@@H]2C[C@H]([C@@H](CCCCCCCC(=O)OC)OO)OO2)OO1 102183107 LWTWZXHNYOALAJ-TZNCUMHOSA-N 388.457 3.503 50 1 GHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)OCCCO4)[C@@H](C2)C3=O 587422024 OVBZWBNZGOZAJI-YCRPNKLZSA-N 386.831 3.738 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C\N(C)C)N1 587687350 GCBFQSNBTANTGS-WWOLQYOBSA-N 386.696 3.526 50 1 GHGF Cc1ccc([C@H](NC2=C(N=C3C=CC=C(C#N)C3=O)NSN2)C(C)(C)C)s1 2356705146 XTFRURUAAUVTRR-INIZCTEOSA-N 399.545 3.646 50 1 GHGF Oc1cc(-c2cccc(Br)c2)c(O)n1-c1ccnc(CCl)n1 587940111 MDMITIWNBJOJEJ-UHFFFAOYSA-N 380.629 3.847 50 1 GHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CN(C)C(=O)N4)[C@@H](C2)C3=O 587423166 SXSAJRKXKYXFNP-YCRPNKLZSA-N 398.846 3.554 50 1 GHGF COc1cccc(C(=O)C[C@H]2C(C#N)=C(N)Oc3ccc(Br)cc32)c1 1857766500 XVJMYUVVURVVCI-CQSZACIVSA-N 399.244 3.901 50 1 GHGF C#C/C=C/C[C@@H]1O[C@@H]2C[C@H]1O[C@@H]([C@@H](Br)CC)C[C@H]2Br 145300810 ZZAINMHCOZIURO-PMPGUTDJSA-N 392.131 3.818 50 1 GHGF CC[C@H](OO)[C@H]1C[C@H]([C@@H]2C=C[C@H](CCCCCCCC(=O)OC)OO2)OO1 102183126 QAMDHRQSVQULEB-NNPSNHGLSA-N 388.457 3.503 50 1 GHGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](CCCCl)(c3ncco3)N12 962660134 GCEDEJPEINCCEU-NHCUHLMSSA-N 399.878 3.584 50 1 GHGF O=C(N/N=C/c1ccccc1F)c1nc(-c2cc3ccccc3oc2=O)cs1 1857580955 FFCIDSRWCURPHJ-LSHDLFTRSA-N 393.399 3.820 50 1 GHGF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(/C=N/OCCCl)cc1 103219777 YWOWUIRWHPBSDA-UFFVCSGVSA-N 381.766 3.516 50 1 GHGF CC=C[C@H](C[C@H](Br)[C@@H]1C[C@H](Cl)[C@H](CC=CC#N)O1)OC(C)=O 2356802751 WJWKSDFHHIAJMV-YXMSTPNBSA-N 390.705 3.883 50 1 GHGF COc1cccc(COc2cccc(/C=N/NC(=O)c3cccc(O)c3)c2)c1 653909267 QOBHMOCGPDLJIC-OEAKJJBVSA-N 376.412 3.744 50 1 GHGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)Cc1ccccc1 1857533836 PENJNCRLDPUWHT-WSDLNYQXSA-N 383.835 3.691 50 1 GHGF C=CCN1C(=O)CS/C1=N\NC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 103200113 OQPLRLNOJRAWMP-CQEAMPFXSA-N 397.475 3.745 50 1 GHGF CC(C)[C@@H]1CC=C[C@@H]2[C@@H]3[C@](C)(O)C(=O)C[C@H](O)[C@]3(C)CC[C@@]12CBr 2356535157 ZKYQFPARPNOWGE-KVEOIYGPSA-N 399.369 3.717 50 1 GHGF Br[C@H]1C[C@H]2[C@H](C[C@@H](Br)C23OCCO3)C12CCCC2 169352501 DPMCCROLKIJMCL-FIQHERPVSA-N 380.120 3.857 50 1 GHGF Cc1cc2[nH]c([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)nc2c(C)n1 587010018 ZGYHRYCMBPHCCK-KRWDZBQOSA-N 381.867 3.695 50 1 GHGF O=C=Nc1cc(F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587896815 ZGSCDBXODKCEPZ-UHFFFAOYSA-N 377.202 3.810 50 1 GHGF COc1cc2c3c(c1)O[C@](/C(C#N)=C\N(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587417977 GAFZWWGGPJLRTG-LZCUEKDWSA-N 394.858 3.961 50 1 GHGF O=C=Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F 587894144 BFYMBXDPTAZLMJ-UHFFFAOYSA-N 377.202 3.810 50 1 GHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(Cl)ncc2[nH]1 587009876 WTGZWRBYJFZAJP-AWEZNQCLSA-N 388.258 3.731 50 1 GHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(F)c(F)c2[nH]1 587009741 PZARYCSZKSYAOO-HNNXBMFYSA-N 388.805 3.961 50 1 GHGF CCCc1c(O)ccc2c1O[C@@](CSC#N)(c1ccc(O)c(O)c1)CC2=O 587493188 RCEWAERSSLUBSA-FQEVSTJZSA-N 385.441 3.831 50 1 GHGF CC1=CC[C@@](C(=O)O)(C(=O)N/N=C/c2cccs2)[C@@H](c2ccc(F)cc2)C1 4144031 WACBOZFMUUSWSD-GUBLWLBDSA-N 386.448 3.932 50 3 GHGF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1NC(=O)CCCl)[C@@H](C2)C3=O 587422118 PLGIMKYEZUSNNH-BTYIYWSLSA-N 385.847 3.925 50 1 GHGF CC(=O)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321221 ILWBNRGCDFSURD-AEFFLSMTSA-N 393.208 3.613 50 1 GHGF C[C@@]1([C@H](Br)Cc2ccccc2F)NCCc2nc3ccccn3c21 962990658 RXPYHLGHBXWEJU-APWZRJJASA-N 388.284 3.841 50 1 GHGF CSC(=S)O[C@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@H]12 195516012 FPMWPZCUVFMELL-YVECIDJPSA-N 394.631 3.918 50 1 GHGF N#C/C(=C\CCNC(=O)Cc1ccc(OC(F)(F)F)cc1)c1ccncc1 618017558 SCMDLNSTPASFEB-APQPDGGLSA-N 375.350 3.636 50 1 GHGF O=C(CCCCCCCCC(=O)N/N=C/c1ccco1)N/N=C\c1ccco1 18118211 JXQWBPVIVYZQDL-KBNZVFGVSA-N 386.452 3.594 50 1 GHGF CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccc(F)cc2OC)c(C(=O)OC)c1 101459841 ONKGUCSWSRJDLD-ZCXUNETKSA-N 398.390 3.972 50 1 GHGF CC(=O)[C@H](Br)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587669915 GVXGYBUTPFFAHP-ISEFBEROSA-N 393.094 3.690 50 1 GHGF CCOC(=O)C[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587500966 VRBPSZAUOURSAB-GOSISDBHSA-N 381.266 3.618 50 1 GHGF NS(=O)(=O)c1c[nH]c(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)c1 586930466 UHHLMUCOPSWCPC-UHFFFAOYSA-N 388.343 3.863 50 1 GHGF CC=C[C@H](C[C@H](Br)[C@@H]1C[C@H](Cl)[C@@H](CC=CC#N)O1)OC(C)=O 2356802748 WJWKSDFHHIAJMV-CWVYHPPDSA-N 390.705 3.883 50 1 GHGF Cc1nc2sc3ccccc3n2c1C(=O)N/N=C/c1ccc(N(C)C)cc1 653813142 CUSLPDYGWJRFED-CIAFOILYSA-N 377.473 3.687 50 1 GHGF O=C1OC(=O)c2cc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)ccc21 586906718 GWADICSLVXTKHN-UHFFFAOYSA-N 383.232 3.590 50 1 GHGF COc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](Br)C2 587372114 JLAAYGRKPRHZLZ-PKOBYXMFSA-N 388.261 3.766 50 1 GHGF N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1cc2c(cc1Cl)OCO2 4165138 NUWSSMHEPKUQBY-CQSZACIVSA-N 398.831 3.738 50 1 GHGF CCOP(=O)(OCC)[C@@H]1C(C#N)=C(N)Oc2ccc(Br)cc21 103249360 MIKBTZHMIUMHJL-ZDUSSCGKSA-N 387.170 3.843 50 1 GHGF Br[C@@H](Cn1ncc2c(N3CCCCC3)ncnc21)c1ccccc1 13682962 QCCVUMFCZCZIBN-INIZCTEOSA-N 386.297 3.953 50 1 GHGF CC1(C)C[N@@]1[P@](=O)(NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@]1CC1(C)C 1857536545 QCNMICREZHZPPL-GBLLFLILSA-N 380.473 3.551 50 1 GHGF C#CC=CC[C@H](Br)[C@@H]1C[C@@H]2O[C@H]([C@H](Br)CC)C[C@H]2O1 2356792220 JLVBZCAWMKVCPP-DBWOOVFOSA-N 392.131 3.818 50 1 GHGF C[C@@H]1C=C[C@H](COC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)OO1 44069953 STSVRDMCXUJUHA-JGKCQHDJSA-N 385.298 3.929 50 1 GHGF COc1ccc2nc3ccccc3c(N3N=C(CBr)CC3=O)c2c1 49113443 AOKWKKNRGLQAJL-UHFFFAOYSA-N 384.233 3.884 50 1 GHGF CCCc1c(O)ccc2c1O[C@@](CCl)(Cn1nnc3ccccc31)CC2=O 587459311 ODNJJEVBBHETRN-FQEVSTJZSA-N 385.851 3.732 50 1 GHGF CC[C@@H](Br)[C@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414482 MKPYMRNQTUQMDK-ZXYWRSMDSA-N 388.261 3.907 50 1 GHGF O=C(NNc1ncnc2sc3c(c12)CCCC3)c1cnc2ccccc2c1 1772593991 ZXNGANPNRBJEIO-UHFFFAOYSA-N 375.457 3.875 50 1 GHGF C[C@]12CC[C@H]3[C@@H](C/C(=C\C#N)[C@H]4C/C(=N/OCCN)CC[C@@]43C)[C@@H]1CCC2=O 49808497 MCGKRYRVSRWXQV-JJQBYNQTSA-N 383.536 3.989 50 1 GHGF CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587373130 PYGLHMQARSOISS-HXUWFJFHSA-N 390.867 3.798 50 1 GHGF O=Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 587545966 UKVWXKOKTGYEDU-PXNSSMCTSA-N 383.787 3.629 50 1 GHGF O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1ccc([N+](=O)[O-])cc1 103227535 DMSKVWXWPPTCPD-QQTULTPQSA-N 395.378 3.701 50 1 GHGF C[C@H]1CC[C@H](N(NC(=O)OC(C)(C)C)c2nc(C#N)ncc2Br)C1 64361309 MNSIDRNNSLGBMP-QWRGUYRKSA-N 396.289 3.545 50 1 GHGF Oc1ccc2c(c1)[C@@](CBr)(c1cccnc1C(F)(F)F)NCC2 963341701 OQYYLUSQUFNDJZ-OAHLLOKOSA-N 387.199 3.590 50 1 GHGF CC(C)(C)[C@]1(CBr)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962968604 CWJOMPRMJXEKRI-MEBBXXQBSA-N 396.659 3.853 50 1 GHGF CN1C(=O)C[C@H]2CN[C@](CBr)(c3ccccc3F)c3cccc1c32 963018819 COTLDAJPRYULNR-HXPMCKFVSA-N 389.268 3.518 50 1 GHGF N#CC(=C\c1ccco1)/C=C1\SC(=S)N(c2ccc(C(=O)O)cc2)C1=O 103228465 ZFMGVVFLLDIYBZ-BTTAZIECSA-N 382.422 3.834 50 1 GHGF CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1 2031228 RRNIZKPFKNDSRS-UHFFFAOYSA-N 397.524 3.773 50 1 GHGF COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccc(C#N)cc23)cc(OC)c1OC 169312587 NIZBCJMJIMPHJA-GIDUJCDVSA-N 387.395 3.855 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@@H]1CCN1C(=O)OC(C)(C)C)O2 587374832 ZPNUEAKQNFGBDR-KXBFYZLASA-N 380.872 3.529 50 1 GHGF O=C1OC(=O)c2cc(-c3nc4cc(Br)cc(Cl)c4[nH]3)ccc21 586907659 NMMHVEABUOKTLH-UHFFFAOYSA-N 377.581 3.956 50 1 GHGF CC(=O)[C@H](Br)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587669054 ACWMMASVKDWNEL-HNWMMTHTSA-N 393.094 3.690 50 1 GHGF Cc1cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1F 963222558 GSRXRWMQGQKHCV-PZJWPPBQSA-N 384.838 3.764 50 1 GHGF CC(=O)[C@H](Br)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587669056 ACWMMASVKDWNEL-IYCUSSIYSA-N 393.094 3.690 50 1 GHGF C[C@H](CCC(=O)c1c(CO)oc2cc(Br)cnc12)CC(=O)Cl 587274692 ZEGNMUHMZRPESW-MRVPVSSYSA-N 388.645 3.837 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(F)F)N1 587717117 FHURCZLKJZRSCP-INWYIAFRSA-N 387.037 3.978 50 1 GHGF O=C(CCl)c1c[nH]c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587543882 MGWVAXOHXBXXLQ-FXAWDEMLSA-N 383.787 3.845 50 1 GHGF CCCCC(Br)(Br)[C@@H](CBr)OC(C)=O 14769563 QWPPZPNWQNWPOE-MRVPVSSYSA-N 394.929 3.989 50 1 GHGF biogenic CC1(C)C[N@@]1P(=O)(NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@]1CC1(C)C 1857536547 QCNMICREZHZPPL-WJOPIPNPSA-N 380.473 3.551 50 1 GHGF CN(C)CCSSCCNC(=O)c1cc(-c2ccccc2F)ccc1O 621477469 MFZYHMNQKDUMDI-UHFFFAOYSA-N 394.537 3.871 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CCC(=O)N3C)O2 587372864 NHSFLEAJDVJNEV-NRFANRHFSA-N 384.863 3.586 50 1 GHGF O=C(CCl)NC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497757 KSOGMUXYHZAJKK-QFIPXVFZSA-N 383.875 3.781 50 1 GHGF C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1OC(=O)[C@H]1C 195421980 FNENDUINXSCMPR-BBTUJRGHSA-N 382.576 3.761 50 1 GHGF N#Cc1cccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c12 587009732 PLFSIQIMWFERHV-KRWDZBQOSA-N 377.835 3.555 50 1 GHGF C[C@]1(CCl)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963415314 LIOPNBMSWXSTDV-UWJYYQICSA-N 382.847 3.774 50 1 GHGF O=C(OCC1=CC=C(COC(=O)c2cccnc2)SS1)c1cccnc1 6536490 YEGNHKYHQAUESA-UHFFFAOYSA-N 386.454 3.653 50 1 GHGF COc1cc(/C=C(\C#N)C(=O)c2cn(C)c3ccccc23)cc(OC)c1OC 169312575 DFXUKESPIWALKJ-OQLLNIDSSA-N 376.412 3.994 50 1 GHGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@@H]2C[C@@H](Br)[C@H](Br)CC 2356398014 SVJJUIWBRNYBIG-KYFQHEKYSA-N 392.131 3.818 50 1 GHGF C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H](OC(C)=O)[C@@]3(C)CC[C@@H](OO3)C(C)=CC[C@@H]12 2356588700 DCNHEHMOEMETOF-SXEONFLVSA-N 390.476 3.962 50 1 GHGF CC(=O)OC[C@@]12CC[C@@]3(C(=O)O)[C@@H](CC[C@@H]3C(C)C)[C@@H]1[C@@H]1C=C(C)[C@H](C2)OO1 141376194 RDNDSRLZDOEQBR-GIPCDWCDSA-N 392.492 3.748 50 1 GHGF CCCC[C@@H](/C=N/NC(=O)NCCc1ccccc1)NC(=O)OC(C)(C)C 28569529 VDTQRTHQKTVIHH-HINJULBWSA-N 376.501 3.598 50 1 GHGF C[C@@H]1C=C[C@H](COC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)OO1 101427770 STSVRDMCXUJUHA-HRBPYXDQSA-N 385.298 3.929 50 1 GHGF C#C/C=C\C[C@H]1O[C@H]2C[C@@H](Br)[C@@H](CC)O[C@H]2C[C@H]1Br 238776421 ONEBNODSYJNGPV-VBDADYOUSA-N 392.131 3.818 50 1 GHGF C[C@@H](Cl)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587887532 QRFARPMLDWHIES-LLVKDONJSA-N 382.678 3.794 50 1 GHGF O=C(NN=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 2356830905 ANXPCMKKKUYIKT-UHFFFAOYSA-N 390.355 3.685 50 1 GHGF O=C1C[C@@](CCl)(Cn2nnc3ccccc32)Oc2c1ccc1c2CCCC1 587497534 IXEKBGQUFLYYAI-OAQYLSRUSA-N 381.863 3.953 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1c[nH]c3ncccc13)O2 587376991 ZLULKCLPQBAAQH-GOSISDBHSA-N 386.249 3.709 50 1 GHGF O=C(CBr)NCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 586970753 FWRKBTJFFRADLY-UHFFFAOYSA-N 390.306 3.768 50 1 GHGF COc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587375871 VTQFFRMJXQAWOL-SFHVURJKSA-N 376.250 3.841 50 1 GHGF CCOC(=O)C(=O)[C@H](Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102795 YKXOTELLXLIRLK-GOSISDBHSA-N 379.799 3.858 50 1 GHGF Cc1ccc(/C=C2\CN(C)C[C@@H]3C(c4ccc(C)cc4)=C(C#N)C(=O)N[C@@H]23)cc1 195501010 CTVVSFYHMWPGST-SONLXIDRSA-N 383.495 3.724 50 1 GHGF CC(=O)O[C@@H]1C[C@@H](C)[C@@H]2C[C@@H]2C2=C(COC2=O)[C@@H]1[C@H](C)C/C=C/C(C)(C)OO 238766061 SDGDVGLXQFITGK-LSEVXLOGSA-N 392.492 3.914 50 1 GHGF COc1ccc(Cl)cc1C#Cc1cc(C(C)C)c(OCC(=O)NN)cc1C 587899644 BKFCRZUXQDIOAU-UHFFFAOYSA-N 386.879 3.549 50 1 GHGF O=C([C@@H]1Cc2ccccc2[C@@]2(CCCC[C@@H]2Br)N1)C(F)(F)F 962760186 DLSMBPABTUNHOL-KCQAQPDRSA-N 376.216 3.865 50 1 GHGF COc1ccc([C@@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)cc1Cl 962929665 VNDKDAMHRFARPP-HXUWFJFHSA-N 393.314 3.679 50 1 GHGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1C=C[C@](C)(O)[C@H](O)CBr 2356797346 NVCPOLTZJQZLPD-COMQUAJESA-N 396.163 3.805 50 1 GHGF Fc1ccc(CN(CCBr)CCn2nnc3ccccc32)c(F)c1 169327044 ZCZFRSNVLWAQEL-UHFFFAOYSA-N 395.251 3.607 50 1 GHGF COC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587371537 GLDGUYAUYMAXHO-FKIZINRSSA-N 390.867 3.797 50 1 GHGF CCn1ccc2cc(/C(=N/NC(C)=O)c3ccc(OC)c(OC)c3OC)ccc21 45315170 VKWMEQMBPRGVMN-GFMRDNFCSA-N 395.459 3.576 50 1 GHGF CCC/C=C/C(=O)NNC(=O)Cc1cccc2c(=O)c3ccc(C)c(C)c3oc12 103299260 GGODWKXZXXDGFA-UXBLZVDNSA-N 392.455 3.609 50 1 GHGF CN(C(=O)/C(C#N)=C/c1cn(CC(=O)O)c2cccc(Cl)c12)c1ccccc1 96271118 WYMGKXCLJHRDIV-GXDHUFHOSA-N 393.830 3.949 50 1 GHGF COc1ccc(Cl)cc1C#Cc1ccccc1OCc1ccc(C(=O)NN)o1 587902706 MVNZFEWEWAJQOW-UHFFFAOYSA-N 396.830 3.524 50 1 GHGF Oc1nc(O)c2cc(CCBr)c(-c3ccc(Cl)cc3)nc2n1 587367316 VZGOEXHMYOEWSL-UHFFFAOYSA-N 380.629 3.694 50 1 GHGF CCOC(=O)CC[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687758 HTSQKLRRTIMZGR-QFYYESIMSA-N 392.696 3.900 50 1 GHGF Cc1ccc(NC(=S)NNC(=O)c2sc(-c3ccccc3)cc2N)cc1 958021756 BTZUVXVMEARACG-UHFFFAOYSA-N 382.514 3.937 50 1 GHGF O=C(NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21)c1cccnc1 13833447 XUQWEOBIVHTUMA-UHFFFAOYSA-N 394.818 3.902 50 1 GHGF C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](C[C@@H](C)[C@@H](OC(C)=O)[C@@H]24)[C@@H](C)CO[C@@]3(C)CC[C@H]1OO 44386638 NHDWDZVEJGRIDB-XUQGAWNHSA-N 394.508 3.597 50 1 GHGF BrCCCCc1nc2cccc(I)c2[nH]1 586972396 PHFGCJKIPPORNB-UHFFFAOYSA-N 379.039 3.885 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)CCO3)O2 587375553 UNORCLBUSZDEBK-IBGZPJMESA-N 388.261 3.768 50 1 GHGF COc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 587375869 VTQFFRMJXQAWOL-GOSISDBHSA-N 376.250 3.841 50 1 GHGF COC(=O)[C@]1(CCCCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587685111 NSVWECNOWMZLCB-RFAUZJTJSA-N 378.669 3.510 50 1 GHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Cl)[C@H](O)[C@H](CBr)[C@H](CC)O1 2356545033 MFEVKEHDTZDLJG-HCDMYHGNSA-N 384.141 3.720 50 1 GHGF CN(C)CCSSCCCNC(=O)c1cc(-c2ccc(F)cc2)on1 621485624 BWIMCLFKWNQSEU-UHFFFAOYSA-N 383.514 3.544 50 1 GHGF CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)Br)nc2c1 587007563 ANLRWBXINHJDRA-LURJTMIESA-N 376.048 3.958 50 1 GHGF CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H]2O[C@H]1[C@@H]1C(=O)OC(=O)[C@H]21 102017746 WKGJKGLZMOYISD-UPHQMJAKSA-N 396.483 3.544 50 1 GHGF CN(C)CCSSCCn1cc(-c2ccc(N3CCCCC3)cc2)nn1 618010169 QZVMZGXAJFOILO-UHFFFAOYSA-N 391.610 3.878 50 1 GHGF O=C(CBr)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1O 299863072 KNMDTJQEAYPHQP-HNNXBMFYSA-N 377.213 3.604 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@@H]1CCN1C(=O)OC(C)(C)C)O2 587374831 ZPNUEAKQNFGBDR-HNAYVOBHSA-N 380.872 3.529 50 1 GHGF CC(C)NC(=O)c1ccc(Cl)cc1C(=O)N/N=C/c1ccccc1Cl 103204190 HIMKDMOVDIEGKB-UFFVCSGVSA-N 378.259 3.896 50 1 GHGF COc1ccc(/C(=C\C=O)c2ccc3c(c2)c(C=O)cn3C)c(OC)c1OC 95583180 VPTYROHQVMQRKO-SXGWCWSVSA-N 379.412 3.647 50 1 GHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C(=O)OC)co1)CC2=O 587460448 MRYYJDZDICZSBC-IBGZPJMESA-N 378.808 3.824 50 1 GHGF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCCBr)[C@@H](C2)C3=O 587414933 ZBEHVVSLXCNVSK-LIRRHRJNSA-N 389.245 3.958 50 1 GHGF CC[C@]1([C@@H](Cl)C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587690118 ZHCCWWFDHIMCLV-AFEMSUNCSA-N 378.669 3.508 50 1 GHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc([C@@H](C)NC(C)=O)cc1)[C@@H](C2)C3=O 587419690 XUIVPNNUOPRKDA-RZVZBCHOSA-N 399.874 3.774 50 1 GHGF COC(=O)[C@@]1(CCCCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587685267 PCAFDJVYQQTFII-PSLIRLAXSA-N 378.669 3.510 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C(=O)O)cc1)O2 587376347 WUVQDYZHDSHGEA-SFHVURJKSA-N 390.233 3.531 50 1 GHGF Cc1cc(C)c2ccc(C(=O)NCCCSSCCN(C)C)nc2c1O 618008411 FTUWWRAZIIWHNO-UHFFFAOYSA-N 393.578 3.620 50 1 GHGF CCc1c(C(=O)CCl)[nH]c(C)c1[C@@]1(C)NCCc2c1c(C(C)C)nn2C 962911096 OPOHFSIHLXBGHK-HXUWFJFHSA-N 376.932 3.573 50 1 GHGF CNNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772604608 KZWKTQVPGGKAPQ-ZRDIBKRKSA-N 384.443 3.736 50 1 GHGF C[C@@]12Oc3ccc(F)cc3[C@H](O)[N@@]1[C@H]2P(=O)(c1ccccc1)c1ccccc1 1857545762 PMLDFXTYFJCAOD-CDNNERCOSA-N 395.370 3.581 50 1 GHGF C/C(=N/NC(=O)c1cc(Br)ccc1O)c1cc2ccccc2n1C 96903357 VAEKLLSIEDZGMM-JAIQZWGSSA-N 386.249 3.800 50 1 GHGF COc1cc2c3c(c1)O[C@](c1ccc(CC(=O)O)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587418071 RTGYVZQJRBGFJT-DBLBYYFGSA-N 386.831 3.593 50 1 GHGF COc1ccc2c(c1)[C@@](CBr)(C1CCOCC1)N(C(C)C)CC2 962091434 NRJGVQIKKPZVGY-LJQANCHMSA-N 382.342 3.979 50 1 GHGF O=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1C(F)(F)F 1857594610 XXJABYDDXDVABD-DNTJNYDQSA-N 387.155 3.937 50 1 GHGF O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)CO[C@H](C(=O)O)C2 42922716 KRQHPRIBLJFGIT-CVEARBPZSA-N 381.519 3.865 50 1 GHGF in-vivo C[C@@H]1C(=O)C[C@H](c2ccc(F)cc2)N(C(=O)CCl)[C@@H]1c1ccc(O)cc1 169352150 YOXMBNFTVZOABI-XSXHMXBXSA-N 375.827 3.990 50 1 GHGF CCOC(=O)CC[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687756 HTSQKLRRTIMZGR-HWPZZCPQSA-N 392.696 3.900 50 1 GHGF CCOC(=O)[C@H](Cl)[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587687775 HWWMKMQBLXLCLZ-WKFLNTIRSA-N 392.696 3.898 50 1 GHGF Cc1nc2ccccc2cc1C(=O)NN=C1C(=O)Nc2ccc(Cl)c(Cl)c21 1911572900 CRRFQFBYZOCPPT-UHFFFAOYSA-N 399.237 3.936 50 1 GHGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@@H]2C[C@H](Br)[C@H](Br)CC 2356398013 SVJJUIWBRNYBIG-FSKVPOERSA-N 392.131 3.818 50 1 GHGF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(OC)ccc3C(=O)[C@H](Br)[C@H]21 105285252 VXNUYSOLTINORZ-RGIVZKHGSA-N 395.293 3.892 50 3 GHGF CC[C@H](OO)[C@@H]1C[C@@H]([C@@H]2C[C@@H](/C=C/CCCCCCC(=O)OC)OO2)OO1 231929764 HDHNZAODPDSIEW-DAXNQPIPSA-N 388.457 3.503 50 1 GHGF CN(C)CCSSCCCNC(=O)c1ncccc1-c1ccccc1 618017744 XYUIHLVQLFIYJH-UHFFFAOYSA-N 375.563 3.812 50 1 GHGF CC(C)(C)[C@@H](Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 103278966 SKSLKYATTRQGJA-BYPYZUCNSA-N 396.179 3.940 50 1 GHGF Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)NCCCCl)cc1 95552107 ZXFILPJRYFAURR-UHFFFAOYSA-N 381.885 3.546 50 1 GHGF C/C=C/[C@@H]1C[C@@H]([C@@H]2C[C@@H]([C@@H](CCCCCCCC(=O)OC)OO)OO2)OO1 231929750 WBDZRMWZSZDXFJ-KPMYOOQTSA-N 388.457 3.503 50 1 GHGF CC[C@]1([C@@H](Cl)C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689998 YMAAKMSSQFEKQI-IIRLODAESA-N 378.669 3.508 50 1 GHGF O=C(CCl)c1c[nH]c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587543885 MGWVAXOHXBXXLQ-YLJYHZDGSA-N 383.787 3.845 50 1 GHGF O=[N+]([O-])c1cccc([C@H]2CCN[P@](=O)(N(CCCl)CCCl)O2)c1 100921449 IQFUBSCQEDWPMA-JCQPUDPBSA-N 382.184 3.534 50 1 GHGF Cc1onc(-c2ccccc2)c1C(=O)NN/C=C1\C=C(Cl)C=C(Cl)C1=O 96167269 DFDYMXSYJMUJMT-FMIVXFBMSA-N 390.226 3.596 50 3 GHGF CCOC(=O)C[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325670 GMOCMTOMSWFWDJ-UYAOXDASSA-N 392.810 3.821 50 1 GHGF CCCC[C@@H](/C=N/NC(=O)N1CCc2ccccc2C1)NC(=O)OC(C)(C)C 28570460 VIUQMXJVHBBQGQ-OVBDPADQSA-N 388.512 3.824 50 1 GHGF CCCc1c(O)ccc2c1O[C@@](CBr)(C(C)(C)C(=O)OC)CC2=O 587455515 CMCZMBAAFBVXML-SFHVURJKSA-N 399.281 3.643 50 1 GHGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21C(C=O)=COc2cc(C)c(Cl)cc21 963633394 HXHUNQDRNIPQOP-DMZKTXOQSA-N 399.874 3.919 50 1 GHGF CCCCC1(CCCC)C[C@@H](CNCCCn2cncn2)[C@@](C)(OC)OO1 1857556336 HSMBRWKMLVGPFO-OALUTQOASA-N 382.549 3.708 50 1 GHGF CN(C)CCSSCCCNC(=O)c1ccc(-c2ccccc2)nc1 618017693 VRUUHHOXWYAWHN-UHFFFAOYSA-N 375.563 3.812 50 1 GHGF CC[C@]1(CCCC(=O)Cl)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962634931 NACKEZDMDXUGSX-BDJLRTHQSA-N 393.789 3.725 50 1 GHGF COc1ccc(/C=N\NC(=O)c2sccc2C)cc1Cn1nc(C)cc1C 33334105 VOOGXAIGGCDCBV-NHDPSOOVSA-N 382.489 3.691 50 3 GHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc3c(c1)CCN3C=O)CC2=O 587462283 XECFSHMXMGIAAG-QFIPXVFZSA-N 399.874 3.963 50 1 GHGF CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(\O)c2ccc(Br)cc2)cc1 209107037 FXAFWMGCEFEFJL-HNENSFHCSA-O 396.268 3.660 50 1 GHGF COc1cc(CNC(=O)C[C@]2(C)CC3(CCCCC3)OO2)cc(OC)c1OC 49722675 OBMNRUUTVNRXAU-HXUWFJFHSA-N 393.480 3.532 50 1 GHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(NC(N)=O)cc1)CC2=O 587460441 MQOOVOBRRPZTKM-FQEVSTJZSA-N 388.851 3.935 50 1 GHGF C#C/C=C/C[C@@H]1O[C@@H]1C[C@H](Br)[C@H]1C[C@H](Br)[C@@H](CC)O1 145300378 TYJMRPRTZBFOAI-JZWDIKSXSA-N 392.131 3.818 50 1 GHGF CC(=O)NCc1ccc([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)s1 587412142 XLSCZTWTWWTOIV-WLRWDXFRSA-N 392.908 3.763 50 1 GHGF COc1cc2c3c(c1)O[C@@](CCl)(Cc1ccc(OC(C)=O)cc1)[C@@H](C2)C3=O 587416580 BJCWEJIINDQUJC-LAUBAEHRSA-N 386.831 3.588 50 1 GHGF C[C@H](Br)c1nc2c(Br)cnc(Br)c2[nH]1 587008117 HQXPGBAUZPPDQF-VKHMYHEASA-N 383.869 3.939 50 1 GHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587009446 GEZSSQRDNWPMAM-KRWDZBQOSA-N 397.822 3.591 50 1 GHGF CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOCc4c(C)noc4C)[C@@]13OO2 101257752 QXUHMZVNICOORD-XIHRTOKZSA-N 381.469 3.814 50 1 GHGF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2[C@H](Cl)C(C)=O)cc1 28950941 XBEVZRUEOZSTOW-MOPGFXCFSA-N 389.835 3.616 50 1 GHGF O=C1O[C@H](c2ccc(C(F)(F)F)cc2)C[C@]23OO[C@@]4(C=C12)CCCC[C@@H]4O3 96934033 LAKKZSYIRZDJHU-ONIAQPFYSA-N 382.334 3.990 50 1 GHGF CC(=O)N1c2ccc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)cc2C[C@@H]1C 587371863 HIKOYQUQDKSJPI-XMHCIUCPSA-N 398.890 3.974 50 1 GHGF COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC)ccc3C(=O)[C@H](Br)[C@H]12 17000584 VXNUYSOLTINORZ-WQCNXYOZSA-N 395.293 3.892 50 1 GHGF Cn1/c(=N/NC(=O)c2ccc(F)cc2)sc2cc(OC(F)(F)F)ccc21 53175205 OEJBRDKODNVBOR-JCMHNJIXSA-N 385.342 3.523 50 1 GHGF C/C(=N/NC(=O)c1ccc(Br)cc1O)c1cc2ccccc2n1C 96903361 ZRWBPGRLNRYHLS-JAIQZWGSSA-N 386.249 3.800 50 1 GHGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@H]1c1ccc(Cl)cc1 103175377 SLUNRMPWOFGFCK-DZGCQCFKSA-N 394.645 3.841 50 1 GHGF Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cc(-c2ccccc2)n[nH]1 13154645 MVBKUFCOWPEERW-UCQKPKSFSA-N 384.443 3.643 50 1 GHGF COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)NCCCCl)cc1 587918216 HCJFUMUTMNIGKW-UHFFFAOYSA-N 398.311 3.656 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccccc1[N+](=O)[O-])O2 587375826 VABLCIKTPNLXGF-KRWDZBQOSA-N 391.221 3.741 50 1 GHGF O=C(NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)c1ccncc1 49756873 RAYCKPWHBVDIRG-UHFFFAOYSA-N 398.503 3.829 50 1 GHGF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1CCCl 587542330 GPVXFSQXZCWSAI-FXAWDEMLSA-N 384.819 3.839 50 1 GHGF COc1cc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc(OC)c1 72110886 ALLOCXMNXFOBIP-WSDLNYQXSA-N 395.484 3.803 50 1 GHGF CCOC(=O)[C@H](Cl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587689893 XRAAERLMIMVYRZ-ZBVHDKTDSA-N 378.669 3.508 50 1 GHGF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(C(=O)NN)ccc3[nH]2)cc1 586879165 KYESJPGTIFEDPE-UHFFFAOYSA-N 386.411 3.507 50 1 GHGF CC[C@H](OO)[C@H]1C[C@@H]([C@@H]2C=C[C@@H](CCCCCCCC(=O)OC)OO2)OO1 231929807 QAMDHRQSVQULEB-ICUGJSFKSA-N 388.457 3.503 50 1 GHGF CC(=O)Sc1ccc(N(CCBr)CCBr)cc1 2038966 RJTQXAGEXLGPGB-UHFFFAOYSA-N 381.133 3.921 50 1 GHGF CN(C(=O)/C(C#N)=C/c1cn(CC(=O)O)c2ccc(Cl)cc12)c1ccccc1 96271117 FEJBHDNMOHYBAV-NTEUORMPSA-N 393.830 3.949 50 1 GHGF CCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(-c4cccs4)cc3)[C@@H]2C1 299836130 MPJDARXTRKKJAU-CZTZKLFOSA-N 395.528 3.907 50 1 GHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(F)F)N1 587719209 KQSLHTQPFBVRLZ-QTTZVWFDSA-N 387.037 3.978 50 1 GHGF CC(=O)[C@H](Br)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587670220 JEVFLJRMXZRYCP-RWAWWYONSA-N 379.067 3.516 50 1 GHGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](CCCCl)(c3ncco3)N12 962660135 GCEDEJPEINCCEU-RTWAWAEBSA-N 399.878 3.584 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc3c(cc1F)NC(=O)CC3)O2 587384327 JXZHQNYAEKUTHS-HXUWFJFHSA-N 388.826 3.701 50 1 GHGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccc(C(=O)NN)c1 587859583 FUAAYXRHPNGTJC-UHFFFAOYSA-N 391.258 3.848 50 1 GHGF O=[N+]([O-])c1cccc([C@@H]2CCN[P@](=O)(N(CCCl)CCCl)O2)c1 27526969 IQFUBSCQEDWPMA-ZAMGYDSWSA-N 382.184 3.534 50 1 GHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C(N)=O)cs1)CC2=O 587494729 NPCITAIONIETRN-GOSISDBHSA-N 379.865 3.605 50 1 GHGF COc1cccc2c3c(cnc12)CCN[C@]31C(C=O)=COc2cc(C)c(C)cc21 963061877 ZCJYMQQIEJNYJI-DEOSSOPVSA-N 386.451 3.725 50 1 GHGF C#C/C=C/C[C@H]1O[C@H]2C[C@H](Br)[C@@H](CC)O[C@@H]1C[C@@H]2Br 196223859 INTLAWPKZQSZHS-QWUBUJLBSA-N 392.131 3.818 50 1 GHGF O=C(Nc1cc2c3c(cccc3c1)C(=O)OC2=O)c1ccc(Cl)c([N+](=O)[O-])c1 95584000 WKLAJLRCAMPMGT-UHFFFAOYSA-N 396.742 3.964 50 1 GHGF O=[N+]([O-])c1ccc([C@H]2CCN[P@](=O)(N(CCCl)CCCl)O2)cc1 44018551 GWAYXBYKOSDHRU-JCQPUDPBSA-N 382.184 3.534 50 1 GHGF NNC(=O)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 587272543 UXWOTGKKKPJNAI-UHFFFAOYSA-N 389.371 3.534 50 1 GHGF C[C@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650120 XQXJUDXTQICUQC-NSHDSACASA-N 376.865 3.804 50 1 GHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(F)F)N1 587719207 KQSLHTQPFBVRLZ-PWCHPLFNSA-N 387.037 3.978 50 1 GHGF CCn1cc(C(=O)N/N=C/c2ccc3ccccc3c2)c(=O)c2ccc(C)nc21 103219616 MDVGRQYMEIMBAL-ZMOGYAJESA-N 384.439 3.642 50 1 GHGF O=C(NNc1nncc2ccccc12)[C@H]1C[C@@H]1c1ccc(OC(F)(F)F)cc1 49111977 JBURNXGBLGPNRU-CVEARBPZSA-N 388.349 3.775 50 1 GHGF [C-]#[N+]C1=C(c2ccc(F)cc2)N=C2COC(=O)[C@H]2[C@@H]1c1cc2cn[nH]c2cc1F 169703254 GUZNKTXJGSLGLH-ZWKOTPCHSA-N 390.349 3.840 50 1 GHGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1C=C[C@](C)(O)[C@@H](O)CBr 2356797347 NVCPOLTZJQZLPD-OSFYFWSMSA-N 396.163 3.805 50 1 GHGF CO[P@](=O)(c1cc(C)cc(Cl)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 145387251 ZNDCTHSSHGTRJD-RUZDIDTESA-N 397.198 3.757 50 1 GHGF CN(C)CCSSCCCNC(=O)c1ccc(OC(F)(F)F)cc1 618008378 FKLBUFZOHYKETK-UHFFFAOYSA-N 382.473 3.648 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(N(C)C)cc1)O2 587371445 DTPLTQZMQPBVQT-LJQANCHMSA-N 389.293 3.899 50 1 GHGF C#CC=CC[C@@H]1O[C@@H]1C[C@H](Br)[C@@H]1C[C@@H](Br)[C@@H](CC)O1 2356424373 TYJMRPRTZBFOAI-BYGOPZEFSA-N 392.131 3.818 50 1 GHGF C[C@@H]1CC[C@H]2[C@@](C)(COC(=O)CCCCl)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103192709 BLZRILDCRNXPGW-CLZWAGIQSA-N 388.888 3.553 50 1 GHGF COc1ccc2c(c1OC)[C@@](CBr)(c1cncs1)N(C)[C@H](C)C2 962633996 PQMXEUUEITXAQK-PIGZYNQJSA-N 397.338 3.675 50 1 GHGF O=C(NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)c1ccccn1 49756804 XLDMVAAIDDGORI-UHFFFAOYSA-N 398.503 3.829 50 1 GHGF CN(C)CCSSCCCNC(=O)c1ncccc1-c1ccc(F)cc1 618017037 ACWYUCFPTLYZIU-UHFFFAOYSA-N 393.553 3.951 50 1 GHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(F)F)N1 587717133 FHURCZLKJZRSCP-PWCHPLFNSA-N 387.037 3.978 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C(F)(F)C(F)(F)F)O2 587382902 UGUINHKGWKPFLJ-LLVKDONJSA-N 388.130 3.874 50 1 GHGF C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)C1 98084106 FQGNQHXQLCUGSZ-PWEHGMCJSA-N 378.476 3.743 50 1 GHGF Cc1cccc2nc(-c3ccc(C(=O)N/N=C/c4cccc(O)c4O)cc3)[nH]c12 299835828 XXEKORZHQBGDCN-FSJBWODESA-N 386.411 3.713 50 1 GHGF COC(=O)CC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326288 KCMVADNCSHSHKL-AZUAARDMSA-N 392.810 3.821 50 1 GHGF COc1cc(/C=C(\C#N)C(N)=O)cc(Sc2nc3ccccc3s2)c1O 34799957 CVOBHHJUXHKVTR-IZZDOVSWSA-N 383.454 3.554 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1ccccc12 587839720 GKKADBAMDKFGBJ-WYRIXSBYSA-N 388.236 3.841 50 1 GHGF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCSSCCN(C)C 618008824 KVUQLWPHIHPHIF-LLVKDONJSA-N 397.393 3.820 50 1 GHGF CN(C)CCSSCCNC(=O)c1ccccc1COc1ccccc1 618008174 BGHODQMDKRILKW-UHFFFAOYSA-N 390.574 3.938 50 1 GHGF COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(OC)ccc3C(=O)[C@H](Br)[C@@H]12 33985697 VXNUYSOLTINORZ-WLWJZTKJSA-N 395.293 3.892 50 1 GHGF CCOC(=O)CC[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544992 PVMKQBZNJZXDFH-XLIONFOSSA-N 390.819 3.675 50 1 GHGF Cc1cc2c(cc1O)[C@@](CCl)(c1ccc(C(F)(F)F)cc1)N[C@H](C(=O)O)C2 963491359 MRDUFZVSVMYUMC-MAUKXSAKSA-N 399.796 3.801 50 1 GHGF O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)C(=O)O[C@H](C(=O)O)C2 43023459 QLMQFZFSYWCKOR-HIFRSBDPSA-N 395.502 3.505 50 1 GHGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(OCc3ccccc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 147807906 UGSWVJYSINAWSJ-PXYXXOMASA-N 387.476 3.812 50 1 GHGF COc1cccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587412190 HUNFPJCTUXQVFQ-DNVCBOLYSA-N 389.245 3.742 50 1 GHGF COC(C)(C)[C@@H](Br)c1nc2c(C)c(Br)cnc2[nH]1 586970203 BPLXRGGYLQESOX-VIFPVBQESA-N 377.080 3.890 50 1 GHGF CC(=N)/C(C#N)=C(/O)CSc1nnc(-c2ccccc2Br)o1 101698367 NLIAQFVZIDEKRG-LQSIYPFOSA-N 379.239 3.967 50 1 GHGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@@H]1c1ccc(Cl)cc1 103175385 SLUNRMPWOFGFCK-HIFRSBDPSA-N 394.645 3.841 50 1 GHGF COc1ccc(N=C=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587879305 AXMIUSDYDWCLCQ-UHFFFAOYSA-N 389.238 3.680 50 1 GHGF NNC(=O)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587123177 BXHNRJYWHBSYMV-FPYGCLRLSA-N 378.379 3.949 50 1 GHGF CCSc1nc2sc3c(c2c2[n+]1C[C@@H](CBr)O2)CCCC3 1300925 JFPVVYBTNGNKAN-SECBINFHSA-N 386.360 3.731 50 3 GHGF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 100652169 QJLBOUDSUVHNPR-XTXMLXIJSA-N 385.464 3.789 50 1 GHGF Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1c(Cl)cccc1Cl 45348863 WYGFKAAXESLHMA-AERZKKPOSA-N 377.153 3.753 50 1 GHGF CC1(C)CN1P(=O)(NC(=O)NC12CC3CC(CC(C3)C1)C2)N1CC1(C)C 43260186 QCNMICREZHZPPL-UHFFFAOYSA-N 380.473 3.551 50 1 GHGF C=CS(=O)(=O)N1CCN(Cc2ccc(S(F)(F)(F)(F)F)cc2)CC1 618020184 CKLWQOAGDMYVLM-UHFFFAOYSA-N 392.415 3.935 50 1 GHGF C[C@@]1([C@@H](Br)Cc2ccccc2F)NCCc2nc3ccccn3c21 962990659 RXPYHLGHBXWEJU-LPHOPBHVSA-N 388.284 3.841 50 1 GHGF C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCSSCCN(C)C 618008826 KVUQLWPHIHPHIF-NSHDSACASA-N 397.393 3.820 50 1 GHGF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(C(=O)NN)cc2[nH]1 587014153 HKYWIXBFTBLCBH-UHFFFAOYSA-N 383.864 3.919 50 1 GHGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3ccncc3)cc2)o1 1772614387 VGVRONZYYVDXBR-ZVHZXABRSA-N 399.410 3.571 50 1 GHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1ccccc12 587839715 GKKADBAMDKFGBJ-JEOXALJRSA-N 388.236 3.841 50 1 GHGF O=[N+]([O-])c1ccc([C@@H]2CCO[P@](=O)(N(CCCl)CCCl)N2)cc1 43532365 BLLAFAYLTBTTPF-NPMABZOXSA-N 382.184 3.534 50 1 GHGF CCOC(=O)[C@H](Cl)[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587687774 HWWMKMQBLXLCLZ-OELKAKTESA-N 392.696 3.898 50 1 GHGF CCCCC(Br)(Br)[C@H](CBr)OC(C)=O 14769566 QWPPZPNWQNWPOE-QMMMGPOBSA-N 394.929 3.989 50 1 GHGF biogenic Cc1cc2c(cc1O)[C@](CCl)(c1ccc(C(F)(F)F)cc1)N[C@H](C(=O)O)C2 963491360 MRDUFZVSVMYUMC-YJBOKZPZSA-N 399.796 3.801 50 1 GHGF O=C(NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21)c1ccccn1 13833446 WQBFOYISFBMAGX-UHFFFAOYSA-N 394.818 3.902 50 1 GHGF O=C(N/N=C1\CCc2cccc(O)c21)c1cccc(C(=O)Nc2ccccc2)c1 1857596151 LTRRSMRFIGONRZ-NCELDCMTSA-N 385.423 3.725 50 1 GHGF C#C/C=C/C[C@@H]1O[C@@H]([C@@H](Br)CC)C[C@@H]2O[C@H]1C[C@@H]2Br 195869692 FVHHRUHDUJVLNL-ZQVZVIRFSA-N 392.131 3.818 50 1 GHGF CC(=O)[C@]1(CCl)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963862558 BTDXKYOJTZPPAL-FOIQADDNSA-N 395.883 3.655 50 1 GHGF O=[N+]([O-])c1ccc([C@H]2CCO[P@@](=O)(N(CCCl)CCCl)O2)cc1 44032007 SQXCFVXTKBWXDG-ZLOXQWCVSA-N 383.168 3.961 50 1 GHGF Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2[Si](O)(O)O)c(C)c1 195468005 LUOMHGCBYUFITM-UHFFFAOYSA-N 392.571 3.994 50 1 GHGF O=C(N/N=C/c1cccc(Br)c1O)c1cccc(C(F)(F)F)c1 1857602636 WRDJTHRPASGRQA-DNTJNYDQSA-N 387.155 3.937 50 1 GHGF N#CC1=C(/N=C/NN)Oc2c(ccc3cccnc23)[C@@H]1c1ccc(Cl)cc1 103185970 TXRDCXXSLAWFBG-KRWDZBQOSA-N 375.819 3.639 50 1 GHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(O)c(O)c1 587542306 GNLJUCFNLNHMHV-GHTZIAJQSA-N 398.798 3.899 50 1 GHGF CC(=O)N1CCc2sc([C@]3(CCl)NCCc4c3sc(C)c4C)cc2C1 963032894 YACUWXHVBWCDLR-IBGZPJMESA-N 394.993 3.959 50 1 GHGF O=[N+]([O-])c1ccc([C@H]2CCO[P@@](=O)(N(CCCl)CCCl)N2)cc1 43532373 BLLAFAYLTBTTPF-JCQPUDPBSA-N 382.184 3.534 50 1 GHGF COc1cc2c3c(c1)O[C@](C)(c1ccccc1NC(=O)[C@H](C)Cl)[C@@H](C2)C3=O 587418164 SGPHPOCWPOYYMD-DQLGPHAMSA-N 385.847 3.924 50 1 GHGF O=C(O)CCC/C=C\C[C@@H]1[C@@H](/C=N/NC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 195287585 QJLBOUDSUVHNPR-MBZQOVDJSA-N 385.464 3.789 50 1 GHGF Cc1c(F)ccc2c1[C@](CBr)(c1cccc(N(C)C)c1)NCC2 962300842 QRIWTXVSXARRAE-IBGZPJMESA-N 377.301 3.984 50 1 GHGF O=C(N/N=C1\C(=O)Nc2ccccc21)Nc1nc2c(ccc3ccccc32)s1 40900062 QNEIHIVFSUGIDD-UHFFFAOYSA-N 387.424 3.927 50 1 GHGF CCOC(=O)C(=O)[C@@H](Cl)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102797 YKXOTELLXLIRLK-SFHVURJKSA-N 379.799 3.858 50 1 GHGF C=C(C=O)[C@]1(O)C[C@]2(C)C(=CC1=O)C=C[C@H](OC(=O)C=CC=C[C@H](C)CC)[C@@H]2C 2356539207 GIUVFWDLNFDKHT-GMWJOQRBSA-N 398.499 3.654 50 1 GHGF COC(=O)C(C)(C)[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587500103 QJJJCZMDHUBYQS-IBGZPJMESA-N 395.293 3.864 50 1 GHGF O=C(CCl)c1c[nH]c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587543884 MGWVAXOHXBXXLQ-XLIONFOSSA-N 383.787 3.845 50 1 GHGF CC(=O)[C@H](Br)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587669912 GVXGYBUTPFFAHP-GTNLGMRDSA-N 393.094 3.690 50 1 GHGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](CCCl)(c2cccc(F)c2)N1 963228683 SXKSUIOHKAROPC-FPOVZHCZSA-N 384.838 3.845 50 1 GHGF CC(=O)O[C@@H]1CC(C=O)=C[C@H]([C@@H]2[C@]3(CC[C@@H]4C(C)(C)CCC[C@]42C)CO3)O1 2356425537 HHGQMCDTIFTDJV-HZEQZJDJSA-N 376.493 3.801 50 1 GHGF Nc1cccc(C(=O)N/N=C2\c3cc(Cl)ccc3C(=O)[C@H]3C=CC=C[C@H]23)c1 103194035 JKQVGXSXQYCQTC-BTNFHWIDSA-N 377.831 3.611 50 1 GHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2CCOCC2)N1 587686789 XLKBSYJWFJCURY-MGPLVRAMSA-N 376.697 3.983 50 1 GHGF C#CC=CCC=C1O[C@@H]2C[C@H]([C@H](Br)CC)O[C@H]2[C@@H]1Br 2356386866 ZAKKSVIAKVSQCR-DIAXPKBXSA-N 390.115 3.943 50 1 GHGF COC1=COC(CCl)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587684785 MNQNSGHCKUMRDF-FVMDXXJSSA-N 388.664 3.958 50 1 GHGF N[C@@H](CSSC(=O)N(C(=O)Nc1ccccc1)c1ccccc1)C(=O)O 1857634551 RCKNJXFGQNJHOU-AWEZNQCLSA-N 391.474 3.638 50 1 GHGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 58583612 KSKLCDYJJHPNTQ-LJQANCHMSA-N 383.367 3.819 50 1 GHGF CC1=C(C#N)C(c2ccc3[nH]nc(OCCOC(C)C)c3c2)C(C#N)=C(C)N1 68151691 FFZGUAYOHNTTOH-UHFFFAOYSA-N 377.448 3.649 50 1 GHGF C#C/C=C\C[C@@H]1O[C@@H]2C[C@H]1O[C@@H]([C@@H](Br)CC)C[C@H]2Br 145374609 ZZAINMHCOZIURO-ZQOIOIDESA-N 392.131 3.818 50 1 GHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C(N)=O)cs1)CC2=O 587494730 NPCITAIONIETRN-SFHVURJKSA-N 379.865 3.605 50 1 GHGF O=C(N/N=C/c1ccc(COc2ccc(Br)cc2)o1)c1ccco1 668632 SKEBCRTXTZFPTA-VXLYETTFSA-N 389.205 3.978 50 3 GHGF Cc1cc(C(=O)N/N=C/c2ccc(F)cc2)c2c(C)nn(-c3ccccc3)c2n1 1772586099 HCCMFKYMWHLSJG-ZMOGYAJESA-N 387.418 3.940 50 1 GHGF CCCCNC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccc(F)cc1 472791601 PSLLVWPGXSSLHM-UHFFFAOYSA-N 375.831 3.773 50 1 GHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([C@H](O)CCl)c1 587881769 ARXLZSDHGSRBHC-GOSISDBHSA-N 396.701 3.976 50 1 GHGF CCOC(=O)Cc1c(CCl)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586984751 AZUUTBQGXWAVEY-UHFFFAOYSA-N 381.815 3.996 50 1 GHGF Cc1ccc(/C=C(\C#N)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587187038 AWHROQCJZFFFQT-GZTJUZNOSA-N 382.427 3.995 50 1 GHGF CCN(CC)S(=O)(=O)c1ccc2nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c2c1 587188775 WMZIXCAUXGAGER-ATVHPVEESA-N 394.500 3.966 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOC[C@@H]2Br)N1 587684516 RDFHYIUMNIKMTE-NFMODRRSSA-N 393.094 3.502 50 1 GHGF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2[C@H](Br)C(C)C 963192230 QNDHKSADHBSGFQ-QZTJIDSGSA-N 398.341 3.816 50 1 GHGF O=C(O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 169371097 QJLBOUDSUVHNPR-MKVZXLJGSA-N 385.464 3.789 50 1 GHGF COc1c(F)cccc1[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587380970 DLKYFCVKUJOMLI-SFHVURJKSA-N 394.240 3.981 50 1 GHGF CC(=O)[C@H](Br)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587670219 JEVFLJRMXZRYCP-PFXKUOPQSA-N 379.067 3.516 50 1 GHGF Fc1ccc([C@H](Cl)Cn2ncc3c(NCc4ccncc4)ncnc32)cc1 71329403 JKEOLUJTQXIYQJ-QGZVFWFLSA-N 382.830 3.953 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc3c(c1)OCO3)O2 587371461 DXBPZXLGWAGDSN-SFHVURJKSA-N 390.233 3.562 50 1 GHGF C#CC=CC[C@@H]1O[C@@H]1C[C@H](Br)[C@@H]1C[C@H](Br)[C@H](CC)O1 2356424376 TYJMRPRTZBFOAI-WCBJTDJXSA-N 392.131 3.818 50 1 GHGF COc1ccc(C(=NNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 2356864143 JBIIDKFLOFIYEA-UHFFFAOYSA-N 375.384 3.786 50 1 GHGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)Cc1cccs1 1857603132 YJTITVPJWIWOPY-KEBDBYFISA-N 389.864 3.752 50 1 GHGF Cc1cn(CCC(=O)N/N=C/c2ccc3c(c2)OCCCO3)c2ccccc12 115598164 CCQJPIZTAQEQOV-OEAKJJBVSA-N 377.444 3.651 50 1 GHGF CN1CCc2c(Br)cccc2[C@]1(C)[C@@H](Cl)C(=O)C(F)(F)F 963289665 QCEAFBLDGFMSOI-WCQYABFASA-N 384.623 3.891 50 1 GHGF Cc1onc(-c2ccccc2)c1C(=O)NCCCSSCCN(C)C 618007954 OAVWRPLJJFCKDO-UHFFFAOYSA-N 379.551 3.713 50 1 GHGF C[C@@H](c1ccccc1)n1cncc1C(=O)N(C)CCSSCCN(C)C 618010351 UQFQKVFQDWPZGX-INIZCTEOSA-N 392.594 3.507 50 1 GHGF O=C(NCCCCCCCl)NCCOC(=O)Nc1cccc(Cl)c1 68586420 JCFQLTBUNUCZMD-UHFFFAOYSA-N 376.284 3.987 50 1 GHGF biogenic C#CCn1c(-c2ccc(C(=O)N/N=C/c3ccc(O)cc3)cc2)nc2ccccc21 1772588962 RBDWXLCEMWBDFF-PCLIKHOPSA-N 394.434 3.806 50 1 GHGF COc1ccc([C@H]2[C@@H]3CCC=C3C(C#N)=C(N)C23C(=O)c2ccccc2C3=O)cc1 169348507 ZGUPTPKSDXXVSZ-UTKZUKDTSA-N 396.446 3.931 50 1 GHGF Cc1ccc(Sc2c(C(=O)NNCCO)[nH]c3ccc(Cl)cc23)c(C)c1 28119360 JXPPPODHLYXEAG-UHFFFAOYSA-N 389.908 3.816 50 1 GHGF COc1c(Cl)cc(C(=O)NCCSSCCN(C)C)cc1Cl 618009061 RCKGDVSSQKTGDU-UHFFFAOYSA-N 383.366 3.675 50 1 GHGF COc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](Br)C2 587372112 JLAAYGRKPRHZLZ-MJGOQNOKSA-N 388.261 3.766 50 1 GHGF COc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(SC)cc3)o2)cc1 1857648751 HOTLNKLIKDAEHO-UHFFFAOYSA-N 382.441 3.752 50 1 GHGF COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 95808529 QJARRNIIKDRIHX-XQNSMLJCSA-N 397.475 3.830 50 1 GHGF C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2cc(F)ccc2[nH]1 95559453 JFFVVJPZUDOAHL-ZVBGSRNCSA-N 390.212 3.929 50 1 GHGF O=C(Oc1cccnc1Br)c1cc2cc(CCl)ccc2oc1=O 13557551 FIMGKPUBBGMZPT-UHFFFAOYSA-N 394.608 3.909 50 1 GHGF C[C@]1(C(Cl)=CBr)O[C@H]([C@@](C)(Br)CCl)C[C@@H]1O 2356590338 KUMNGEFTSKDDEM-AATLWQCWSA-N 396.934 3.762 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C(F)(F)C(F)(F)F)O2 587382908 UGUINHKGWKPFLJ-NSHDSACASA-N 388.130 3.874 50 1 GHGF C=CCO[C@@]1(C(F)(F)F)O[C@@H]2O[C@@]3(C)C[C@H]4[C@H](C)CC[C@@H](C1=C)[C@]42OO3 1857549389 XGTWVCOOORIUTA-UJLNSSGYSA-N 376.371 3.860 50 1 GHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)C(F)F 587557439 RTGCJEYZWFLSPI-MLGOLLRUSA-N 385.160 3.753 50 1 GHGF O=C(NNc1nncc2ccccc12)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 49111978 JBURNXGBLGPNRU-JKSUJKDBSA-N 388.349 3.775 50 1 GHGF C=CCN1C(=O)[C@@H]2SS[C@@]1(Cc1ccccc1)C(=O)N2Cc1ccccc1 1857591277 MWVVVVZJYOFDNR-FPOVZHCZSA-N 396.537 3.704 50 1 GHGF CC(C)(C)c1ccc(-c2noc(C(=O)NNC(=S)Nc3ccccc3)n2)cc1 40877832 YROQDQJGXBTOIP-UHFFFAOYSA-N 395.488 3.666 50 1 GHGF Cc1nc2ccccc2cc1C(=O)NN=C1C(=O)Nc2c1ccc(Cl)c2Cl 1911586192 ZJUQEHLPBQUONR-UHFFFAOYSA-N 399.237 3.936 50 1 GHGF Br[C@@H]1C[C@H]2[C@H](C[C@@H](Br)C23OCCO3)C12CCCC2 169352499 DPMCCROLKIJMCL-NNYUYHANSA-N 380.120 3.857 50 1 GHGF O=C(NNC(=S)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1O 1857565565 GUWTVXPMIHUAAE-UHFFFAOYSA-N 393.468 3.603 50 1 GHGF C=C(C(=O)OC)[C@@H]1CC[C@]2(C)O[C@H]2CC[C@](C)(OO)/C=C/C[C@]2(C)O[C@@H]2C1 238735485 BFAFHXDINGOVQJ-CZNDBFSFSA-N 380.481 3.806 50 1 GHGF CCOP(=O)(OCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1 103212476 LBGROXBJVQECJY-DPEHCCBOSA-N 398.421 3.812 50 1 GHGF COc1ccc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)OC3=O)cc1OC 49766765 ZHEIXCZUPIBMCD-UHFFFAOYSA-N 378.336 3.563 50 1 GHGF O=C(N/N=C/c1ccc(O)cc1)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 653751737 STKBTEKIJFZONI-ZVHZXABRSA-N 384.391 3.930 50 1 GHGF [C-]#[N+]C1=C(c2ccc(F)cc2)N=C2COC(=O)[C@H]2[C@H]1c1cc2cn[nH]c2cc1F 169703256 GUZNKTXJGSLGLH-QZTJIDSGSA-N 390.349 3.840 50 1 GHGF C=CCSS/C=C\C[S@](=O)CCCN1C(=O)c2ccccc2C1=O 40428749 JYSMMCQEFUGZQJ-WOOKEEJGSA-N 381.544 3.503 50 1 GHGF COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](Cc2ccccc2)C3)cc1 64540605 FWEKLAWMNUJWMB-KSFYIVLOSA-N 386.451 3.979 50 1 GHGF Cc1cccc(-n2cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)nn2)c1 587373065 PKIFHAQDISCDAK-FQEVSTJZSA-N 382.851 3.566 50 1 GHGF C#C/C=C\C/C=C1\O[C@H]2C[C@H]([C@@H](Br)CC)O[C@H]2[C@@H]1Br 59725747 ZAKKSVIAKVSQCR-BDXIDMLWSA-N 390.115 3.943 50 1 GHGF O=C(NNC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Cl)cc1 103210354 PSLRYDXSXPLGKI-UHFFFAOYSA-N 385.763 3.583 50 1 GHGF COC(=O)c1c(C)[nH]c([C@@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587371540 GLDGUYAUYMAXHO-YUNKPMOVSA-N 390.867 3.797 50 1 GHGF COC(=O)[C@]1(CBr)c2ccccc2CCN1[C@H](C#N)c1ccccc1 963195634 PHQCRWQBVPUFCA-QUCCMNQESA-N 399.288 3.573 50 1 GHGF O=c1c2ncn(CCCl)c2n(-c2ccccc2)c(=S)n1-c1ccccc1 1648102 HIGJKCTWIOBONR-UHFFFAOYSA-N 382.876 3.946 50 1 GHGF CC[C@@H](OO)[C@H]1C[C@H]([C@@H]2C=C[C@H](CCCCCCCC(=O)OC)OO2)OO1 102183133 QAMDHRQSVQULEB-IGKNDFSCSA-N 388.457 3.503 50 1 GHGF COC(=O)[C@]1(C)CCC[C@@]2(C)c3cc(OC)ccc3C(=O)[C@H](Br)[C@H]12 17000592 VXNUYSOLTINORZ-OYSPMZIOSA-N 395.293 3.892 50 1 GHGF O=C([C@@H]1Cc2ccccc2[C@@]2(CCCC[C@H]2Br)N1)C(F)(F)F 962760185 DLSMBPABTUNHOL-GZBFAFLISA-N 376.216 3.865 50 1 GHGF CCCCCC(=O)NNC(=O)Cc1cccc2c(=O)c3ccc(C)c(C)c3oc12 103299259 BZSQIBQYBDFOPJ-UHFFFAOYSA-N 394.471 3.833 50 1 GHGF Nc1ccc(SSCCNC(=O)[C@H](Cc2cc(F)cc(F)c2)N=O)cc1 169717445 AVIUIZIPJNMQJN-INIZCTEOSA-N 397.472 3.781 50 1 GHGF C=C1C[C@H]2O[C@H]3[C@H]4[C@@H](C[C@@H](C)[C@@H](OC(C)=O)[C@H]42)[C@@H](C)CO[C@@]3(C)CC[C@H]1OO 44386633 NHDWDZVEJGRIDB-INJMPRLESA-N 394.508 3.597 50 1 GHGF CCCCNS(=O)(=O)c1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1 587189200 ZNAJJHCYDDYIHF-FOWTUZBSSA-N 380.473 3.705 50 1 GHGF Cn1cccc1CN1CCc2sccc2[C@@]12CCCC(=O)[C@@H]2Br 962398452 NOLQIATXJZRLLF-ZWKOTPCHSA-N 393.350 3.857 50 1 GHGF O=[N+]([O-])c1cccc([C@@H]2CCN[P@@](=O)(N(CCCl)CCCl)O2)c1 27526970 IQFUBSCQEDWPMA-NPMABZOXSA-N 382.184 3.534 50 1 GHGF CC(C)(F)[C@H](Br)c1nc2cc(I)cnc2[nH]1 587087861 XGLWJMTVEMNVPN-SSDOTTSWSA-N 398.017 3.747 50 1 GHGF COC(=O)[C@@]1(CCCCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587685109 NSVWECNOWMZLCB-PSLIRLAXSA-N 378.669 3.510 50 1 GHGF COC(=O)c1cc(Cl)c2[nH]c([C@H](Br)C(C)(C)OC)nc2c1 586970843 KCWMNSGHQOHCNR-NSHDSACASA-N 375.650 3.864 50 1 GHGF Cc1c(F)ccc2c1[C@@](CBr)(c1cccc(N(C)C)c1)NCC2 962300844 QRIWTXVSXARRAE-LJQANCHMSA-N 377.301 3.984 50 1 GHGF CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccccc4)[C@@]13OO2 43834262 NMQWAJYVBNLOLN-KZEVZHLLSA-N 376.449 3.850 50 1 GHGF CCOC(=O)C[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587689159 QFUFSTYEUGAANC-PSLIRLAXSA-N 378.669 3.510 50 1 GHGF C=C1C(=O)O[C@@H]2C=C(C)CC[C@H](OC(C)=O)[C@@]3(C)CC[C@@H](OO3)C(C)=CC[C@H]12 2356588699 DCNHEHMOEMETOF-MMXRJIGESA-N 390.476 3.962 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(COc1ccccc1)O2 587375428 SEFAZKTYXDVJIT-SFHVURJKSA-N 376.250 3.755 50 1 GHGF CCOC(=O)c1c([C@@]2(CCl)NCCc3c(C)ccnc32)c(C)n(CC)c1C 963066371 GYXMGZHPRAFZCW-OAQYLSRUSA-N 389.927 3.633 50 1 GHGF C=C(C(=O)OC)[C@@H]1CC[C@]2(C)CC[C@H](OC(=O)C(C)=CC)C(=C)[C@@]2(OO)C1 2356426312 UOVOQTMUTPAZMZ-OVQGTLEDSA-N 378.465 3.978 50 1 GHGF O=P(N[C@@H](c1ccccc1)[C@@H]1C[C@H]1CO)(c1ccccc1)c1ccccc1 8020436 ZRLGODLIBFRGGZ-PMOQBDJRSA-N 377.424 3.875 50 1 GHGF CCn1cc(C(=O)N/N=C/c2ccc(C(C)C)cc2)c(=O)c2ccc(C)nc21 103214052 WXKWTDXYVNLLQH-FSJBWODESA-N 376.460 3.612 50 1 GHGF O=C(/C=C/c1ccc(OCC(F)(F)F)cc1)NNc1nncc2ccccc12 66112152 AEVDYBYQNIICPR-JXMROGBWSA-N 388.349 3.727 50 1 GHGF C#C/C=C/C[C@H]1O[C@@H]2C[C@H](Br)[C@@H](CC)O[C@H]1C[C@@H]2Br 238762126 INTLAWPKZQSZHS-VUTLLBROSA-N 392.131 3.818 50 1 GHGF O=C(N/N=C/c1cccc(O)c1)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 653751703 JXJPPZKWPUDEGN-ZVHZXABRSA-N 384.391 3.930 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)CCl)c[nH]2)N1 587685619 RABVEIYNCWLIIP-VPTHRUTESA-N 385.664 3.961 50 1 GHGF CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)NCCc2c1c(C(C)C)nn2C 962911095 OPOHFSIHLXBGHK-FQEVSTJZSA-N 376.932 3.573 50 1 GHGF CCN(C)C(=O)Oc1cccc(NC(=O)CSCCCCN=C=S)c1 1857588057 LBPNPZPJFRQLJN-UHFFFAOYSA-N 381.523 3.692 50 1 GHGF O=C(N/N=C\c1ccccc1)Nc1nnc(COc2ccc3ccccc3c2)o1 53276577 PQNVPZZNABBTSJ-XKZIYDEJSA-N 387.399 3.957 50 1 GHGF COc1ccc([C@@H]2C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)cc1OC 64373358 PDKCCQXZSPZKOE-NRFANRHFSA-N 398.422 3.928 50 1 GHGF C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)N(Cc3cccs3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43989859 IBSYINNTJVYECS-YQAIHCLKSA-N 377.506 3.942 50 1 GHGF COc1ccc2c(c1)c([C@]1(CCl)NCCc3c(C(=O)O)cccc31)c(C)n2C 963126682 WTNROIKTLJLYFO-JOCHJYFZSA-N 398.890 3.822 50 1 GHGF COc1cc2c3c(c1)O[C@@](/C(C#N)=C/N(C)C)(c1ccccc1Cl)[C@@H](C2)C3=O 587420548 QGSWIQPRTFXRPJ-LCDZFQHCSA-N 394.858 3.961 50 1 GHGF COc1cc(CNC(=O)C[C@@]2(C)CC3(CCCCC3)OO2)cc(OC)c1OC 49722674 OBMNRUUTVNRXAU-FQEVSTJZSA-N 393.480 3.532 50 1 GHGF COc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C23C(=O)CCCC3=O)cc1 169348704 MODZZTVWSIBGCJ-UTKZUKDTSA-N 376.456 3.564 50 1 GHGF N#C/C=C(/N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884189 HTXQFQYTZPHHHZ-DJKKODMXSA-N 384.266 3.527 50 1 GHGF O=C(CSc1nc2ccccc2o1)NN=C/C=C\c1ccccc1[N+](=O)[O-] 263590506 NNICAUHVBZHYQQ-KVNNFUNXSA-N 382.401 3.644 50 3 GHGF CCn1c(SCC(=O)NN/C=C2\C=Nc3ccccc32)nc2ccccc21 135991791 ILLGYPJBGPQMER-WYMLVPIESA-N 377.473 3.526 50 3 GHGF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cccc(C(=O)NN)c1 587865958 QUNVOAJTDNLCDC-UHFFFAOYSA-N 390.365 3.560 50 1 GHGF CO[C@]1(C)[C@@H](Br)CC[C@@]2(C)[C@@H]3C[C@H]4[C@@H]5C(=O)[C@@]3(CC[C@@H]21)C(=O)[C@@]45C 101081095 BWWGHGDHEMDDPB-ZKFIIDNDSA-N 395.337 3.776 50 1 GHGF Oc1nc(O)c2ccc([C@@H](Br)Cc3ccc(Cl)cc3F)nc2n1 587368953 XZJGDDKWNMWRSX-JTQLQIEISA-N 398.619 3.907 50 1 GHGF Cn1/c(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)sc2cc(F)c(F)cc21 101635505 HBBWHNJWSFKXIW-NKFKGCMQSA-N 377.460 3.666 50 1 GHGF COc1ccc(CO[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H]2OC[C@H](C)[C@@]24C=C[C@]3(C)OO4)cc1 64454053 PYJDABDHTDTAHW-DMVSYFFZSA-N 386.488 3.917 50 1 GHGF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(NC(=O)CCCl)c2c1 587650010 UKZBZQVFYXWAAK-UHFFFAOYSA-N 376.865 3.806 50 1 GHGF CC(=O)N1CCc2sc([C@@]3(CCl)NCCc4c3sc(C)c4C)cc2C1 963032898 YACUWXHVBWCDLR-LJQANCHMSA-N 394.993 3.959 50 1 GHGF CO[P@@](=O)(c1cccc(C(C)C)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425778 YKZROECIBWPDAX-SANMLTNESA-N 390.807 3.919 50 1 GHGF C=C(C=O)[C@]1(O)C[C@]2(C)C(=CC1=O)C=C[C@H](OC(=O)C=CC=C[C@@H](C)CC)[C@H]2C 2356539209 GIUVFWDLNFDKHT-PVCMOVRHSA-N 398.499 3.654 50 1 GHGF CCc1ccc(N2C=C(C(=O)OC)[C@@H](c3ccccc3F)C(C#N)=C2N)cc1 95603006 FSDPAPVKEHTHDP-FQEVSTJZSA-N 377.419 3.743 50 3 GHGF CC(=N)/C(C#N)=C(\O)CSc1n[nH]c(-c2ccccc2Br)n1 103110627 WKTOUULXANESKP-ZKOPBTLKSA-N 378.255 3.702 50 1 GHGF C[C@@H](Cl)C(=O)Nc1c(-c2ccccc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650119 XQXJUDXTQICUQC-LLVKDONJSA-N 376.865 3.804 50 1 GHGF CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(OC(F)(F)F)c1 13586180 RDBXIDLLEAMBBP-QGZVFWFLSA-N 375.350 3.869 50 1 GHGF Cc1cccc2nc(-c3ccc(C(=O)N/N=C/c4cc(O)cc(O)c4)cc3)[nH]c12 299833518 PIMKVHXWESJRDT-FSJBWODESA-N 386.411 3.713 50 1 GHGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccnc1)CC2=O 587455350 AVWIEJJAQHFVLR-SFHVURJKSA-N 376.250 3.995 50 1 GHGF N#CC1=C(N)OC2=C(CNc3c2cccc3[N+](=O)[O-])[C@H]1c1ccc(Cl)cc1 1857628280 FQMIKCORZUYVGJ-INIZCTEOSA-N 380.791 3.893 50 1 GHGF COc1cccc(COc2cccc(/C=N/NC(=O)c3ccc(O)cc3)c2)c1 653909285 XQTQGULQWWGVLS-OEAKJJBVSA-N 376.412 3.744 50 1 GHGF COc1cc2c3c(c1)O[C@](C)(c1ccccc1NC(=O)[C@@H](C)Cl)[C@@H](C2)C3=O 587418166 SGPHPOCWPOYYMD-VNBSIWGGSA-N 385.847 3.924 50 1 GHGF O=C1OC(=O)c2cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)ccc21 586907492 MAVOWSALWHFVLL-UHFFFAOYSA-N 377.581 3.956 50 1 GHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)CCl)c[nH]2)N1 587683344 GOJVYBOJQZWKFB-ZKANADHPSA-N 385.664 3.961 50 1 GHGF Cc1cccc2nc(-c3ccc(C(=O)N/N=C/c4ccc(O)cc4O)cc3)[nH]c12 299835869 ZEOBKOHDVKXEQW-FSJBWODESA-N 386.411 3.713 50 1 GHGF O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1/N=C/CCn1nnc2ccccc21 66258628 STXAJWKQXUAVHL-UTWFGLGRSA-N 388.258 3.652 50 1 GHGF CC(=O)OC[C@@H](CCC=C(C)C)[C@H]1[C@@H](O)C/C(C)=C/C/C=C(/C=O)[C@@H]1C=O 34386052 PCTKTBCRVDSDBF-AKHQQGMGSA-N 376.493 3.570 50 1 GHGF N#C/C(=C\c1cccc(OCCCN2CCOCC2)c1)c1noc2ccccc12 40554633 AFTXXBKGMHYNBO-XDJHFCHBSA-N 389.455 3.993 50 1 GHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)CCl)c[nH]2)N1 587683340 GOJVYBOJQZWKFB-PWJLMRLQSA-N 385.664 3.961 50 1 GHGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@]2(CCCCC[C@@H]2Cl)N1 962625248 BXTBJSPXEWAVPG-DZKIICNBSA-N 377.790 3.951 50 1 GHGF C[C@@H](c1ccc(CBr)cc1)c1nc2c(S)nc(S)nc2[nH]1 586973748 NUDBPAYNGMVAKV-ZETCQYMHSA-N 381.324 3.977 50 1 GHGF COC(=O)CC[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587690168 ZTQIJTQHKHXNHB-RFAUZJTJSA-N 378.669 3.510 50 1 GHGF COc1ccc(N/C=C2\C=C3C(=CC2=O)OC(N)=C(C#N)[C@@H]3c2ccccc2)cc1 103761609 GURLTGSBDFSDED-LKVFMFGUSA-N 397.434 3.892 50 3 GHGF CC(C)(O)[C@@H](Br)Cc1c(O)c(C=O)cc2c1[nH]c1ccccc12 72113409 ZECRLZHZPMOKIO-HNNXBMFYSA-N 376.250 3.916 50 1 GHGF C/C(=N\NC(=O)COc1cccc2cccnc12)c1ccc(Br)cc1 66058847 LAFDCXRMOUIFOQ-LPYMAVHISA-N 398.260 3.917 50 1 GHGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCCCC[C@@H]2Br)N1 963236977 TWYSZLDLEWZGOG-LNLFQRSKSA-N 389.293 3.757 50 1 GHGF C/C1=C/CC[C@]2(C)O[C@@H]([C@H](C)CCC1)[C@@H]1OC(=O)[C@]3(OO)CCO[C@@H]2C[C@H]13 169361166 IIEYUXOIXOZQQX-XJRBIUJHSA-N 380.481 3.639 50 1 GHGF COc1cc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)ccc1F 72110851 KSQRUIRRRDSKGA-SSDVNMTOSA-N 383.448 3.933 50 1 GHGF Cc1c(N2C(=O)[C@@H](Cl)[C@@H]2/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C 6041462 SBQGZHQEWIAIDO-NUPXTWTDSA-N 393.874 3.520 50 1 GHGF Cc1cc(C(=O)N/N=C/c2ccc(C#N)cc2)c2c(C)nn(-c3ccccc3)c2n1 1772616646 CWNANJQXQBDALA-AFUMVMLFSA-N 394.438 3.673 50 1 GHGF C/C=C/[C@H]1C[C@H]([C@@H]2C[C@H]([C@@H](CCCCCCCC(=O)OC)OO)OO2)OO1 102183032 WBDZRMWZSZDXFJ-AKFMYGGYSA-N 388.457 3.503 50 1 GHGF CC(=O)N[C@@H](C)c1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587374527 YRTUUXUHYVGOGO-ZSEKCTLFSA-N 386.879 3.874 50 1 GHGF Cc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)cc(C(=O)NN)c12 28640416 XOVYXKGIGQDXFZ-UHFFFAOYSA-N 377.835 3.653 50 1 GHGF O=C(NN=C1c2ccccc2C(=O)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 38723723 VQNCDSDBLYRXBQ-UHFFFAOYSA-N 386.367 3.713 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC[C@@H]2Br)N1 587679883 HMHIESRBUSKPJY-FDLBOYPASA-N 393.094 3.502 50 1 GHGF C[C@@]1(/C(Cl)=C/Br)O[C@H]1C[C@@H](O)[C@@](C)(Br)CCl 14966287 CXVSMEZMNLCDFI-RGYOKCNOSA-N 396.934 3.762 50 1 GHGF Cc1cc(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)cc(C)c1C 473149619 JJFDFGKTNOCEGC-UHFFFAOYSA-N 396.896 3.740 50 1 GHGF COCCn1c(C)cc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587417100 JEWHNZAVKHVPEZ-UTKZUKDTSA-N 389.879 3.642 50 1 GHGF Cc1ccc2c(c1)[C@H](O)[N@@]1[C@@H](P(=O)(c3ccccc3)c3ccccc3)[C@]1(C)O2 1857552701 JSRBKCUSNFGIFR-ZJZGAYNASA-N 391.407 3.750 50 1 GHGF CCCc1c(O)ccc2c1O[C@](CBr)(C(C)(C)C(=O)OC)CC2=O 587455508 CMCZMBAAFBVXML-GOSISDBHSA-N 399.281 3.643 50 1 GHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](C[C@@H](O)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103104125 VUTVZSWSUBSHAX-HSFYGUAFSA-N 380.403 3.550 50 1 GHGF O=C(NO)c1cccc(C(=O)N/N=C/c2ccc(F)c(Oc3ccccc3)c2)c1 95809711 GKQJNXMMGJOYLY-YDZHTSKRSA-N 393.374 3.501 50 1 GHGF CCN(CC)CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 14128062 LFCVCCZDBJKPAK-RCQQOWRMSA-N 383.529 3.553 50 1 GHGF COc1ccc(CCn2nnnc2CCCC[C@H]2CCSS2)cc1OC 28823706 XSYOXSBZFVQFJT-HNNXBMFYSA-N 394.566 3.800 50 1 GHGF CCO/C(C)=C(/C#N)c1nc(-c2ccc(N(CC)S(C)(=O)=O)cc2)cs1 587922290 AXWBBLFYXGLMTR-SSZFMOIBSA-N 391.518 3.887 50 1 GHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc(F)c1CCl 587896238 OSIPYYDMSUQDJT-UHFFFAOYSA-N 385.653 3.977 50 1 GHGF C[C@]1(c2ccccc2NC(=O)CCCCl)NCCc2c(C(=O)O)cccc21 963121202 JWLUPXWPANCWGY-NRFANRHFSA-N 386.879 3.752 50 1 GHGF O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1/N=C/CCn1nnc2ccccc21 66258625 STXAJWKQXUAVHL-FXMMDWOBSA-N 388.258 3.652 50 1 GHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C(=O)OC)co1)CC2=O 587460451 MRYYJDZDICZSBC-LJQANCHMSA-N 378.808 3.824 50 1 GHGF COc1cc2c(OC)cccc2cc1C(=O)NCCSSCCN(C)C 618009066 RGXRXBGYSJVGSW-UHFFFAOYSA-N 394.562 3.530 50 1 GHGF CCOC(=O)[C@]1([C@@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 587500064 QBHQRNWQXWMYFN-ADLMAVQZSA-N 381.266 3.616 50 1 GHGF CC1=CC[C@](C(=O)O)(C(=O)N/N=C/c2cccs2)[C@H](c2ccc(F)cc2)C1 4144023 WACBOZFMUUSWSD-JLHBBBICSA-N 386.448 3.932 50 3 GHGF OCC#CCSc1cnc2ccccc2c1SCC#CCBr 40406863 FLUKLLNVJVKIAI-UHFFFAOYSA-N 392.343 3.813 50 1 GHGF COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](Cc2ccccc2)C3)cc1 64540609 FWEKLAWMNUJWMB-OPAMFIHVSA-N 386.451 3.979 50 1 GHGF Cc1cc(Cl)nc2ccc3c(=O)c(C(=O)N/N=C/c4ccccc4)c[nH]c3c12 103168782 BDJQJPMBISPVSZ-YSURURNPSA-N 390.830 3.802 50 1 GHGF COc1ccc(NC(=O)c2cc(NC(=O)[C@H](C)Br)ccc2F)cc1 28954579 FTQSCLWIJIXVEE-JTQLQIEISA-N 395.228 3.809 50 1 GHGF C/C(=N\NC(=O)c1ccc(Br)cc1O)c1cc2ccccc2n1C 95558882 ZRWBPGRLNRYHLS-RGVLZGJSSA-N 386.249 3.800 50 1 GHGF Cc1n[nH]c2cc(F)c(C3C(C#N)=C(C(F)F)NC(C(F)F)=C3C#N)cc12 68250989 WOWAGKXGSRDYJG-UHFFFAOYSA-N 379.292 3.783 50 1 GHGF CN(C)CCSSCCCNC(=O)COc1ccc(Cl)c(Cl)c1 618008227 CEMUEENXPRAMOX-UHFFFAOYSA-N 397.393 3.822 50 1 GHGF C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)C1 98084107 FQGNQHXQLCUGSZ-WGCOJADFSA-N 378.476 3.743 50 1 GHGF O=C(N/N=C\c1cccc(Br)c1)c1ccc(Br)cc1 33399654 WSCPIIKPPACVIG-MFOYZWKCSA-N 382.055 3.976 50 1 GHGF C/C(=N/NC(=O)c1cc(Br)ccc1O)c1nc2ccccc2s1 96903374 XAZXOBJILDAGEL-OCKHKDLRSA-N 390.262 3.918 50 1 GHGF Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cc(-c2cccs2)[nH]n1 1742098 HHCQZRFAYCXZND-MTJSOVHGSA-N 390.472 3.705 50 1 GHGF O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1cc(-c2cccnc2)nc2ccccc12 34780335 IEXJFWBLWAMGDH-CFRMEGHHSA-N 397.394 3.969 50 1 GHGF CCOC(=O)CC[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544990 PVMKQBZNJZXDFH-FXAWDEMLSA-N 390.819 3.675 50 1 GHGF O=C(Cl)c1ccccc1C(=O)c1c(CO)oc2cc(Br)cnc12 587275421 AGKRYCHKUUASLS-UHFFFAOYSA-N 394.608 3.693 50 1 GHGF COc1ccc2oc(S(=O)(=O)N3C[C@@H](CCl)c4ccc(N)cc43)cc2c1 5493728 MZVMCVHDIYTKHQ-GFCCVEGCSA-N 392.864 3.555 50 1 GHGF O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)C[C@@H](C(=O)O)OC2 42963122 YMAKLUCZHGNMLT-CVEARBPZSA-N 381.519 3.865 50 1 GHGF CC(=O)[C@H](Br)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587669916 GVXGYBUTPFFAHP-IYCUSSIYSA-N 393.094 3.690 50 1 GHGF Cc1cc(C(=O)N/N=C/c2ccc(O)cc2)c2c(C)nn(-c3ccccc3)c2n1 1772614399 WCWORVLOZXDWPV-YDZHTSKRSA-N 385.427 3.507 50 1 GHGF C=C(CCCC(C)=O)[C@@H]1C(=O)OCC(=CCCC(C)(C)OO)[C@@H]1CC(=O)OC 2356817052 DHALAZDQAZFAPD-HKUYNNGSSA-N 396.480 3.629 50 1 GHGF O=C(CNc1cccc(Oc2ccc(F)c(F)c2)c1)N/N=C/c1ccncc1 148047831 MMTWZPFLFCFRSH-BRJLIKDPSA-N 382.370 3.714 50 1 GHGF CN(C(=O)c1cccc(C(=O)N/N=C2\CCc3cccc(O)c32)c1)c1ccccc1 1857534940 MFFQBAPJSQOVHY-LKUDQCMESA-N 399.450 3.749 50 1 GHGF CN(O)C(=O)[C@H](Br)[C@@H](Br)c1ccc2ccccc2c1 28097053 IOSACDLXWXUKTL-QWHCGFSZSA-N 387.071 3.887 50 1 GHGF CC(=O)N(C)Cc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373922 UKPUKGALFUQJOM-OAQYLSRUSA-N 386.879 3.655 50 1 GHGF CC(=O)Oc1ccccc1C(=O)Oc1ccc(Br)cc1/C=C/C=O 1857766604 DKXTTYUDLLJSPZ-SNAWJCMRSA-N 389.201 3.806 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1ccccc12 587839717 GKKADBAMDKFGBJ-NSPYISDASA-N 388.236 3.841 50 1 GHGF COc1ccc2c(c1)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@@H](Br)C2 587372098 JLAAYGRKPRHZLZ-HKUYNNGSSA-N 388.261 3.766 50 1 GHGF O=C(N/N=C/c1ccc(Br)cc1O)c1cccc(C(F)(F)F)c1 1857611954 JDCXQIKXOTXYJB-DNTJNYDQSA-N 387.155 3.937 50 1 GHGF Cc1cc(C)cc(S(=O)(=O)Nc2cc(Cl)ccc2NC(=O)CCl)c1 43079624 YTPSGZZKPBEICZ-UHFFFAOYSA-N 387.288 3.935 50 1 GHGF COC(C)(C)[C@@H](Br)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586971300 QSYJGKALXGWERD-YFKPBYRVSA-N 387.587 3.838 50 1 GHGF COc1ccc2c(c1)C[C@@H](Br)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587373810 SXMNHJJOMSNHNI-IEBWSBKVSA-N 388.261 3.766 50 1 GHGF O=[P@]1(N(CCCl)CCCl)N[C@H](OO)C[C@@H](CCc2ccccc2)O1 43328166 WVMHPMTVIIPGGG-KAEOHJDDSA-N 397.239 3.701 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2CCOCC2)N1 587687303 ZSOWWXGRDXMJQY-QLJPJBMISA-N 376.697 3.983 50 1 GHGF CC[C@H](OO)[C@H]1C[C@H]([C@@H]2C[C@H](/C=C/CCCCCCC(=O)OC)OO2)OO1 102183047 HDHNZAODPDSIEW-KUOYAYJYSA-N 388.457 3.503 50 1 GHGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3cccs3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43989864 IBSYINNTJVYECS-QGKRQCMOSA-N 377.506 3.942 50 1 GHGF COc1cccc2c3c(cnc12)CCN[C@]3(CBr)c1cccc(O)c1 963058320 NYNFSHXEMGHIFT-HXUWFJFHSA-N 399.288 3.733 50 1 GHGF COC(=O)[C@@]1(CBr)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963195607 PHQCRWQBVPUFCA-AZUAARDMSA-N 399.288 3.573 50 1 GHGF C/C(=N\NC(=O)COc1ccc2c(C)cc(=O)oc2c1)c1ccc(Cl)cc1 8287401 ZSMDBDHIKFAPTC-LPYMAVHISA-N 384.819 3.674 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C/N(C)C)N1 587688603 MMCJMOFADZDMMM-HBOJBGJYSA-N 386.696 3.526 50 1 GHGF C[C@](Br)(CCl)[C@H](O)C[C@H]1O[C@@]1(C)C(Cl)=CBr 2356442459 CXVSMEZMNLCDFI-IMSYWVGJSA-N 396.934 3.762 50 1 GHGF O=C(/C=C/[C@@H]1CC[C@@H](CC(=O)OCc2ccccc2)OO1)OCc1ccccc1 72175645 PNRATPONFZAJCF-UQFLNUTESA-N 396.439 3.899 50 1 GHGF COC(=O)CC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326290 KCMVADNCSHSHKL-QUCCMNQESA-N 392.810 3.821 50 1 GHGF O=C(c1c(OCCCBr)oc(=O)c2ccccc12)C(F)(F)F 70463322 SDLCLFXSUPTCEP-UHFFFAOYSA-N 379.128 3.702 50 1 GHGF CC12CCC3(CCC(=O)NC45CC6CC(CC(C6)C4)C5)[C@](C)(OO[C@@]3(C)O1)O2 95552264 SYZVJHXSUDKPSR-AMAFMFAQSA-N 391.508 3.789 50 1 GHGF CCOCCOC(=O)/C(C#N)=C(\NNc1c(Cl)cccc1Cl)C(C)C 40394535 NCRUQOAGTPVUOA-QINSGFPZSA-N 386.279 3.923 50 1 GHGF N#C/C(=C\c1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587187022 CIPUWQMBOSKVFE-XYOKQWHBSA-N 377.347 3.921 50 1 GHGF COC(C)(C)[C@H](Br)c1nc2cc(Br)c(C)nc2[nH]1 586971721 WTQHRVRWCDDTGI-SECBINFHSA-N 377.080 3.890 50 1 GHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2CCOCC2)N1 587686791 XLKBSYJWFJCURY-QFYYESIMSA-N 376.697 3.983 50 1 GHGF C=C1C[C@@H]2O[C@H]3[C@H]4[C@H](C[C@@H](C)[C@@H](OC(C)=O)[C@@H]24)[C@@H](C)CO[C@@]3(C)CC[C@H]1OO 44386636 NHDWDZVEJGRIDB-TZWOWVGLSA-N 394.508 3.597 50 1 GHGF COc1ccc(OC(=O)N(Nc2ccccc2)S(=O)(=O)c2ccccc2)cc1 653781512 AXJQSYVVJBVNAY-UHFFFAOYSA-N 398.440 3.912 50 1 GHGF COc1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc(Cl)c1OCC(C)C 587046630 YVULFCRRVJTJLE-UHFFFAOYSA-N 388.855 3.530 50 1 GHGF C#CC=CC[C@@H]1O[C@H]([C@@H]2C[C@H](Br)[C@H](CC)O2)C[C@@H]1Br 2356490013 SKSTYQSRJPCZSW-LZXPERKUSA-N 392.131 3.818 50 1 GHGF CC[C@]1([C@@H](Cl)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324929 VUHIQTLRWGNSHV-KPFFTGBYSA-N 392.810 3.819 50 1 GHGF COc1cc2c3c(c1)O[C@@](c1ccc(NC(C)=O)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587418618 UMUKCGJUKLTFSF-HEVOHVLSSA-N 385.847 3.924 50 1 GHGF O=C(N/N=C\c1ccc(O)cc1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 103287475 RYEKXWXJQJIBHL-AQHIEDMUSA-N 399.809 3.598 50 1 GHGF CCCN1C(=O)/C(=N\NC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc21 1857546742 XIPBEEJSVKYMSR-NKFKGCMQSA-N 390.270 3.813 50 1 GHGF COc1ccc(Br)c(C(=O)N/N=C/c2ccc(Cl)cc2O)c1 49112341 KJOMQHRHSVFXQF-QGMBQPNBSA-N 383.629 3.581 50 1 GHGF C[C@@H]1CC[C@H]2[C@](C)(COC(=O)c3cccs3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1772584939 HXNSLWGHUCDLHI-BSNNBWILSA-N 394.489 3.909 50 1 GHGF CCOC(=O)[C@H](Cl)[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545593 RTDZFSKUZDKECA-QSFXBCCZSA-N 390.819 3.673 50 1 GHGF CC(C)[C@@H]1CC[C@H](O)[C@@H]2[C@@H]3[C@](C)(C=CC(=O)[C@]3(C)O)CC[C@@]12CBr 2356378620 REIJBRJPDFHYHQ-MVACNKBASA-N 399.369 3.717 50 1 GHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Cl)[C@H](O)[C@@H](CBr)[C@H](CC)O1 2356545037 MFEVKEHDTZDLJG-WCBJTDJXSA-N 384.141 3.720 50 1 GHGF COc1cccc2c1-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCCl)C2=O 35079963 GUDBMPKWSVEYSF-UHFFFAOYSA-N 398.802 3.759 50 1 GHGF NC(=O)c1csc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531074 JEUXVAVXPAMKBG-LJQANCHMSA-N 375.877 3.825 50 1 GHGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@H](Br)C[C@H]2Br 2356743123 DPWYAIMGBFGBCG-PMXAPFLYSA-N 392.131 3.818 50 1 GHGF CSC(=S)O[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]21 195516014 FPMWPZCUVFMELL-UMSGYPCISA-N 394.631 3.918 50 1 GHGF O=C(N/N=C/c1ccccc1O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 653751709 LVDCRBMPPVSEAY-ZVHZXABRSA-N 384.391 3.930 50 1 GHGF CC(=O)O[C@@H]1CC(C=O)=C[C@H]([C@@H]2[C@]3(CC[C@H]4C(C)(C)CCC[C@]42C)CO3)O1 2356425540 HHGQMCDTIFTDJV-WWQHTOJGSA-N 376.493 3.801 50 1 GHGF Cn1/c(=N/NC(=O)OC2CCCC2)sc2cc(OC(F)(F)F)ccc21 53184457 SSGPSIBBFMTEPE-UYRXBGFRSA-N 375.372 3.623 50 1 GHGF CCN(CC)S(=O)(=O)c1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1 587188666 UOUHCRSWYAGOPU-FOWTUZBSSA-N 380.473 3.658 50 1 GHGF COc1cccc2c3c(cnc12)CCN[C@@]3(C)[C@H](Cl)C(=O)OC(C)(C)C 963059328 QTBNSASSUPVQJV-YLJYHZDGSA-N 376.884 3.553 50 1 GHGF C[C@@]12CC[C@@H]3[C@@](CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]43C)(CC1=NNC(N)=O)C2 2356708413 OXHIJBISUPBBOF-OFWVIWDHSA-N 375.513 3.898 50 1 GHGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cccc(O)c1 95808483 SNQLHQYIKVCFQV-PXLXIMEGSA-N 383.448 3.527 50 1 GHGF CC[C@]1([C@H](Cl)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324931 VUHIQTLRWGNSHV-POAQFYNOSA-N 392.810 3.819 50 1 GHGF CCCc1c(O)ccc2c1O[C@](CSC#N)(c1ccc(O)c(O)c1)CC2=O 587493193 RCEWAERSSLUBSA-HXUWFJFHSA-N 385.441 3.831 50 1 GHGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](CCCl)(c2cccc(F)c2)N1 963228687 SXKSUIOHKAROPC-PZJWPPBQSA-N 384.838 3.845 50 1 GHGF Cn1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587327596 QDXWBTFCPPEJAV-AZUAARDMSA-N 386.810 3.758 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)CCO3)O2 587375567 UNORCLBUSZDEBK-LJQANCHMSA-N 388.261 3.768 50 1 GHGF C/C(=N\NC(=O)COc1ccc(O)cc1)c1ccc(-n2c(C)ccc2C)cc1 103238072 GARHBKQODMKWTM-HAVVHWLPSA-N 377.444 3.719 50 1 GHGF N#CC1=C(SCc2ccccc2)S[C@@H](c2ccc3c(c2)OCO3)NC1=O 84635800 FTCKTOQRYGUTMU-SFHVURJKSA-N 382.466 3.945 50 1 GHGF Cc1nn(CCCl)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587681772 AQIDUKDNVJXUFN-ABKXIKBNSA-N 386.696 3.956 50 1 GHGF Cc1cccc2c1c(C)cn2CCC(=O)N/N=C/c1ccc2c(c1)OCCCO2 115598924 GRONWALHRYGLEU-ZVHZXABRSA-N 391.471 3.960 50 1 GHGF CCOC(=O)C[C@@H]1OO[C@](C=C(CC)[C@H](OC)[C@H](O)CC)(CC)C[C@@H]1CC 2356793870 KTRPUVJBNXKUSZ-VDNQQKDCSA-N 386.529 3.957 50 1 GHGF O=C(OCP(=O)(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 68600532 ANVKLQNKFYQULG-UHFFFAOYSA-N 381.324 3.723 50 1 GHGF biogenic CCc1ccc2c(c1)[C@]1(NCCc3cc4cccc(OC)c4nc31)C(C#N)=CO2 963039096 TWFLLWWWDYQAPI-XMMPIXPASA-N 383.451 3.995 50 1 GHGF COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N/N=C/c2ccncc2)cc1 1857534577 SSRUFMRMFDDJEW-MFKUBSTISA-N 397.438 3.707 50 1 GHGF CN1CCc2c(Br)cccc2[C@]1(CBr)c1cccnc1 963289667 QEEODPCADCQZLW-INIZCTEOSA-N 396.126 3.971 50 1 GHGF N#CC1=C(NC(=O)Nc2ccccc2)N(c2ccccc2)C(=S)N2CCC[C@H]12 96935412 YKNMEICDDDEALI-GOSISDBHSA-N 389.484 3.813 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(C#N)s1)O2 587410830 QEAYVYDIKKNSNL-INIZCTEOSA-N 377.263 3.766 50 1 GHGF C[C@@]1(CCl)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963415313 LIOPNBMSWXSTDV-LAUBAEHRSA-N 382.847 3.774 50 1 GHGF O=C(N/N=C/c1ccc(Br)cc1O)c1cccc(Br)c1 1857573255 WHSMFNQFKBHVSH-CAOOACKPSA-N 398.054 3.681 50 1 GHGF NNC(=O)c1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587128301 JCDYTOICMMRQDU-UHFFFAOYSA-N 385.399 3.895 50 1 GHGF COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1cc(Cl)ccc1Cl 13445951 PGWBQGLBXZFDBG-UHFFFAOYSA-N 392.286 3.846 50 1 GHGF C#CC=CCC=C1O[C@@H]2C[C@H]([C@H](Br)CC)O[C@@H]2[C@@H]1Br 2356386868 ZAKKSVIAKVSQCR-GZENYHORSA-N 390.115 3.943 50 1 GHGF CC(C)(N)CNC(=O)CC1CCC2(CC1)CC1(OO2)C2CC3CC(C2)CC1C3 95580762 MRMJTRXYFBOVOZ-UHFFFAOYSA-N 390.568 3.706 50 1 GHGF O=C1C[C@@]2(CC=Cn3c2nc(CCl)cc3=O)Oc2c1ccc1c2CCCC1 587498811 OQPWBBSENIXWJQ-OAQYLSRUSA-N 382.847 3.596 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc([N+](=O)[O-])cc1)O2 587372570 JUOXZUZGOWLCIK-KRWDZBQOSA-N 391.221 3.741 50 1 GHGF COc1ccc([C@]2(CBr)c3c(F)cccc3C[C@@H]3CCCN32)cn1 963102992 UACVVCMGVGJCSF-HNAYVOBHSA-N 391.284 3.888 50 1 GHGF C#CC=CC[C@@H]1O[C@H]([C@@H]2C[C@H](Br)[C@H](CC)O2)C[C@H]1Br 2356490011 SKSTYQSRJPCZSW-IWTMDLJTSA-N 392.131 3.818 50 1 GHGF O=C(NO)c1ccc(C(=O)N/N=C/c2ccc(F)c(Oc3ccccc3)c2)cc1 95808577 UUOOYQCCCQBFMU-YDZHTSKRSA-N 393.374 3.501 50 1 GHGF COc1cc(C2=C(c3ccc4ccccc4c3)C(=O)OC2=O)cc(OC)c1OC 141006269 NIOSEEOUNBVJGY-UHFFFAOYSA-N 390.391 3.860 50 1 GHGF C[C@H](c1ccc(CBr)cc1)c1nc2c(S)nc(S)nc2[nH]1 586973747 NUDBPAYNGMVAKV-SSDOTTSWSA-N 381.324 3.977 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)C(C)(C)C(=O)N3)O2 587372038 JCARBCVOHWJEKQ-OAQYLSRUSA-N 384.863 3.906 50 1 GHGF COc1ccc2c(c1OC)[C@](CBr)(c1cncs1)N(C)[C@H](C)C2 962633989 PQMXEUUEITXAQK-DIFFPNOSSA-N 397.338 3.675 50 1 GHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101584129 URDHTDUTEFBRCE-DLJUDYGDSA-N 376.449 3.979 50 1 GHGF CC(=O)NCc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587496809 FTGIKRRUJPLQJJ-NRFANRHFSA-N 387.863 3.894 50 1 GHGF CCCOc1cc2nc(C(C)(C)NC(=O)CCl)[nH]c2cc1Br 587008893 RHSPINGGTDVXFI-UHFFFAOYSA-N 388.693 3.704 50 1 GHGF O=C(NN/C=C1\C=Nc2ccccc21)c1ccn(Cc2ccc(Cl)cc2)n1 13125700 KAOOXQSPWPWUAR-NTCAYCPXSA-N 377.835 3.576 50 3 GHGF C#CC=CC[C@@H]1O[C@H]([C@@H](Br)CC)C[C@H](Br)[C@H]2C[C@H]1O2 2356571424 QVSXXUNREJZJAN-GXYBRJDSSA-N 392.131 3.818 50 1 GHGF COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)CCCl)cc1)[C@@H](C2)C3=O 587418889 BMFCGKHLOMBFFZ-HRAATJIYSA-N 385.847 3.925 50 1 GHGF COc1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc1OC 871068 BUSIDZXWWBOLAE-WSDLNYQXSA-N 395.484 3.803 50 1 GHGF CCN1C(=O)CS/C1=N\NC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 103200110 OSVIUHYPLNGSBG-FRDGFDPKSA-N 385.464 3.579 50 1 GHGF CC1(C)CC[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@]12O 2356633440 YLSLVWQEQBOGHC-TZYAJKAJSA-N 396.483 3.513 50 1 GHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427653 JRIIMBSXUOJSNA-KBXCAEBGSA-N 377.209 3.872 50 1 GHGF CCCC[C@@H](/C=N/NC(=O)N(C)CCc1ccccc1)NC(=O)OC(C)(C)C 28570802 VJRODIYYWAVPJD-RMDTYCCRSA-N 390.528 3.940 50 1 GHGF O=C(Oc1ccc([N+](=O)[O-])cc1)C(Br)(C(F)(F)F)C(F)(F)F 68573951 KGCSFKCJSFXGRZ-UHFFFAOYSA-N 396.037 3.759 50 1 GHGF biogenic CC(C)(NC(=O)CCl)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587009792 SUQFMUGLEJYWAV-UHFFFAOYSA-N 398.610 3.934 50 1 GHGF CC1=NC(C)=C(C#N)[C@@H](c2ccc3[nH]nc(OCCOC(C)C)c3c2)[C@H]1C#N 169694594 PDPVWAYJDRKXJH-PXNSSMCTSA-N 377.448 3.862 50 1 GHGF CC(C)OP(=O)(OC(C)C)[C@H]1C(C#N)=C(N)Oc2ccc([N+](=O)[O-])cc21 103249374 OGOZWMAAMIBWKX-OAHLLOKOSA-N 381.325 3.765 50 1 GHGF C=CC[C@@]1(C#N)C[C@H](C[C@]2(C#N)C[C@H](CCl)OC(C)(C)O2)OC(C)(C)O1 73243051 JLPYLHCZOCLFRU-VVWQDTPRSA-N 382.888 3.799 50 1 GHGF O=[N+]([O-])c1ccc([C@@H]2CCN[P@](=O)(N(CCCl)CCCl)O2)cc1 44018549 GWAYXBYKOSDHRU-ZAMGYDSWSA-N 382.184 3.534 50 1 GHGF COc1cc2c3c(c1)O[C@@](CBr)([C@@H]1Cc4ccccc41)[C@@H](C2)C3=O 587413308 MOTMZLZNRJHGBV-GUXCAODWSA-N 385.257 3.916 50 1 GHGF N#C/C=C(\N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884190 HTXQFQYTZPHHHZ-OCKHKDLRSA-N 384.266 3.527 50 1 GHGF N#CSc1ccc(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587897191 WLUSHSLDEGEFRS-UHFFFAOYSA-N 390.295 3.859 50 1 GHGF Cc1c(N/C=C(\C#N)C(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 1650938 OMOPKZIXVZVNIC-DTQAZKPQSA-N 392.846 3.840 50 1 GHGF COc1ccc(/C(=C/C=O)c2ccc3c(c2)c(C=O)cn3C)c(OC)c1OC 96903412 VPTYROHQVMQRKO-CXUHLZMHSA-N 379.412 3.647 50 1 GHGF CC(C)c1cc(Cn2c3ccccc3c(=O)n2[C@@H](C)CBr)on1 95599096 CYQMAAIMVOLYLY-LBPRGKRZSA-N 378.270 3.919 50 3 GHGF C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSSCCN(C)C 618008319 FECRRIPMRXWXQS-OAHLLOKOSA-N 378.563 3.666 50 1 GHGF CC(=O)NCc1ccc([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)s1 587412141 XLSCZTWTWWTOIV-NSPYISDASA-N 392.908 3.763 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc3c(c1)OCO3)O2 587371460 DXBPZXLGWAGDSN-GOSISDBHSA-N 390.233 3.562 50 1 GHGF O=C(NNC(=O)c1csc(-c2cccc(Cl)c2Cl)n1)c1ccccn1 1857757156 WGCHAFPXRNGARD-UHFFFAOYSA-N 393.255 3.587 50 1 GHGF CN(C)CCSSCCCNC(=O)Cc1ccc(Cl)c(Cl)c1 618008204 UQPBJHRCBBBOQJ-UHFFFAOYSA-N 381.394 3.985 50 1 GHGF O=C(N/N=C\c1cc2c(cc1Cl)OCO2)c1ccc(Br)s1 33333489 UIAAZOHQFCADIT-BNCCVWRVSA-N 387.642 3.657 50 3 GHGF O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2Cl)c1 1857534435 LNIQVPBLQQXYTF-UHFFFAOYSA-N 386.860 3.630 50 1 GHGF COc1ccc(-c2ccc(C(=O)NNC(=S)Nc3ccccc3)c(C)n2)cc1 1857558077 CDZONGTUKVMNFV-UHFFFAOYSA-N 392.484 3.697 50 1 GHGF CCCC[C@H](C)[C@H](O)C=C[C@H]1[C@@H]2CC(=C(C#N)CCCC(=O)O)O[C@@H]2C[C@H]1O 2356343291 OJIGXQJDLFUVFM-SDPJFNRWSA-N 391.508 3.548 50 1 GHGF CN(C)CCSSCCCNC(=O)c1ccccc1OC(F)(F)F 618008454 GTMXDKWOKGLCKW-UHFFFAOYSA-N 382.473 3.648 50 1 GHGF CCOC(=O)c1cc(Br)c2[nH]c(/C=C\CBr)nc2c1 586972338 MSVYTALTVMUAFK-ARJAWSKDSA-N 388.059 3.910 50 1 GHGF CCOP(=O)(C[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)OCC 587449529 PCLGMEDQQQESIX-CXAGYDPISA-N 388.784 3.686 50 1 GHGF CC(=O)N1c2ccc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)cc2C[C@@H]1C 587371861 HIKOYQUQDKSJPI-WHEQGISXSA-N 398.890 3.974 50 1 GHGF COc1cc(NC(C)=O)ccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl 1660524 WFHPCMCVSQHXJU-AWQFTUOYSA-N 380.231 3.724 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(N3CCCC3=O)cc1)O2 587374389 XNNVDICYYZHALH-OAQYLSRUSA-N 384.863 3.804 50 1 GHGF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1CCCl 587686373 UOZQGZUFLQYTQK-XXFAHNHDSA-N 386.696 3.956 50 1 GHGF CO[P@@](=O)(c1cccc2ccccc12)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425693 CVRWUOMZMJDEAJ-MHZLTWQESA-N 398.786 3.949 50 1 GHGF C=CCc1cccc(/C=N/NC(=O)CC2CCN(Cc3ccccc3)CC2)c1O 45245324 UJJFONHORCSESE-KOEQRZSOSA-N 391.515 3.873 50 1 GHGF Cc1ccc([C@@H](NC2=C(N=C3C=CC=C(C#N)C3=O)NSN2)C(C)(C)C)s1 2356705147 XTFRURUAAUVTRR-MRXNPFEDSA-N 399.545 3.646 50 1 GHGF COc1cccc2c3c(cnc12)CCN[C@]3(C)[C@H](Cl)C(=O)OC(C)(C)C 963059325 QTBNSASSUPVQJV-XLIONFOSSA-N 376.884 3.553 50 1 GHGF CC(=O)N1CCc2cc([C@@]3([C@@H](C)Cl)CC(=O)c4cc(C)cc(N)c4O3)ccc21 587373538 RIGLDWXEQZDWQK-DMZKTXOQSA-N 398.890 3.974 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccccc1[N+](=O)[O-])O2 587375827 VABLCIKTPNLXGF-QGZVFWFLSA-N 391.221 3.741 50 1 GHGF CCOC(=O)c1c(SC)nn(-c2ccccc2)c1NCCCN=C=S 103272218 OCEWHSMXNKNDCR-UHFFFAOYSA-N 376.507 3.676 50 1 GHGF Cc1nn(CCCl)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587686892 XXMXYTZWOYOCBG-ABKXIKBNSA-N 386.696 3.956 50 1 GHGF COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](Cc2ccccc2)C3)cc1 64540607 FWEKLAWMNUJWMB-AOMKIAJQSA-N 386.451 3.979 50 1 GHGF C=CCSS/C=C\C[S@@](=O)CCCN1C(=O)c2ccccc2C1=O 40428748 JYSMMCQEFUGZQJ-IFDODRAGSA-N 381.544 3.503 50 1 GHGF COc1ccccc1-c1cc(C(=O)N/N=C\c2cnn(C)c2C)c2ccccc2n1 13108500 VFAJFCUDOHXRLO-CFRMEGHHSA-N 399.454 3.716 50 3 GHGF COc1ccc(/C(C)=N/OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 101591261 SZKVOPRJTVKVOM-ZNRFAHEQSA-N 392.415 3.814 50 1 GHGF Cc1cc([C@@]2(CCl)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1F 963222561 GSRXRWMQGQKHCV-TZIWHRDSSA-N 384.838 3.764 50 1 GHGF C#CC=CC[C@@H]1O[C@@H]1C[C@H](Br)[C@@H]1C[C@@H](Br)[C@H](CC)O1 2356424374 TYJMRPRTZBFOAI-HCDMYHGNSA-N 392.131 3.818 50 1 GHGF COC(=O)c1cc(OC)c(OC)c(OC)c1-c1ccccc1C=C(C#N)C#N 103228597 ZPAOATAMAVPHEB-UHFFFAOYSA-N 378.384 3.597 50 1 GHGF CC[C@@H]1C=C[C@H]([C@@H]2C[C@@H]([C@@H](CCCCCCCC(=O)OC)OO)OO2)OO1 231929794 LWTWZXHNYOALAJ-DZVNLGKHSA-N 388.457 3.503 50 1 GHGF Oc1nc(O)c2cc(CCCl)c(-c3ccc(Br)s3)nc2n1 587564967 ZNUPFKUAGQFXQF-UHFFFAOYSA-N 386.658 3.708 50 1 GHGF C/C(=N/NC(=O)c1ccccc1N)c1ccc(NC(=O)Cc2ccccc2)cc1 15934572 FFWKRTYHFBNZOL-QQXSKIMKSA-N 386.455 3.604 50 1 GHGF CCOC(=O)[C@]1(CCCCCl)NCCc2cnc3c(OC)cccc3c21 963041854 ZIWJMVNOERSZRS-HXUWFJFHSA-N 376.884 3.557 50 1 GHGF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 100652167 QJLBOUDSUVHNPR-UMMDOONXSA-N 385.464 3.789 50 1 GHGF COc1ccccc1-c1nnc(-c2ccc(C(=O)N/N=C/c3cccnc3)cc2)o1 1772625073 QVKQEXCCUITDCQ-ZVHZXABRSA-N 399.410 3.571 50 1 GHGF C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@]4(O)C[C@@H](Br)CC[C@]34C)[C@@H]1CCC2=O 28871056 RLKYDCQNFBXTIF-NAWYTOPGSA-N 383.326 3.656 50 1 GHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CC1 587537602 INRDYACMYNSQRW-MAUKXSAKSA-N 375.218 3.898 50 1 GHGF CCOC(=O)c1cc(Br)c2[nH]c(/C=C/CBr)nc2c1 586972339 MSVYTALTVMUAFK-ONEGZZNKSA-N 388.059 3.910 50 1 GHGF CSc1cc([C@]2(CCl)NCCc3c(C)ccnc32)ccc1NC(C)=O 963078135 XBYLQAPUKYFHLP-IBGZPJMESA-N 375.925 3.698 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(N3CCOC3=O)cc1)O2 587372769 MUUMCHOQDDPIQR-HXUWFJFHSA-N 386.835 3.633 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(C(=O)O)c1)O2 587376856 YGRCSUDWIDEUQL-SFHVURJKSA-N 390.233 3.531 50 1 GHGF COc1cc(/C(=N\NC(C)=O)c2ccc3ccccc3c2)cc(OC)c1OC 40429376 GXZVBZYILUFIEV-FLFQWRMESA-N 378.428 3.754 50 1 GHGF CCCc1c(O)ccc2c1O[C@](CBr)(C1CCOCC1)CC2=O 587455997 IMFYPHIYMLZFBN-GOSISDBHSA-N 383.282 3.870 50 1 GHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccnc(Cl)c1)[C@@H](C2)C3=O 587412538 ITVUHQJGUAZRFE-SJCJKPOMSA-N 394.652 3.781 50 1 GHGF CO[C@@H]1C(=O)N(C/C(C#N)=C/c2ccccc2)[C@@H]1c1ccccc1Br 1772633687 QLYWZHJXAJXSOD-IQUSIQNSSA-N 397.272 3.955 50 1 GHGF CCOC(=O)C(=O)[C@H](Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985027 DREOROPYEKCWOZ-GOSISDBHSA-N 395.798 3.564 50 1 GHGF CN(C)CCSSCCCNC(=O)c1cc(-c2ccc(F)cc2)no1 618017545 NGWPWUVJLQOZRC-UHFFFAOYSA-N 383.514 3.544 50 1 GHGF COCCn1c(C)cc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587371530 GEFPSKKOLWJRTQ-HXUWFJFHSA-N 376.884 3.741 50 1 GHGF COc1cc2c3c(c1)O[C@](CBr)([C@H]1Cc4ccccc41)[C@@H](C2)C3=O 587413309 MOTMZLZNRJHGBV-TWOQFEAHSA-N 385.257 3.916 50 1 GHGF COc1cccc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587412188 HUNFPJCTUXQVFQ-BEFAXECRSA-N 389.245 3.742 50 1 GHGF O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2cccc(Cl)c2)c1 1857594674 KTDITGVVSKROQF-UHFFFAOYSA-N 386.860 3.630 50 1 GHGF Cc1ccc2cc([C@@H]3C(C#N)=C(N)Oc4c3ccc3cccnc43)c(=O)[nH]c2c1 8578355 KZLQPKLIQJAUOZ-LJQANCHMSA-N 380.407 3.603 50 3 GHGF CC1=C(C(=O)NCc2ccccc2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 49802731 XLGZZEHYCUWAIB-GRCRIPQISA-N 399.487 3.823 50 1 GHGF COC(C)(C)[C@H](Br)c1nc2c(F)cnc(Br)c2[nH]1 586970755 FYCVFWYDNFGHIV-MRVPVSSYSA-N 381.043 3.721 50 1 GHGF CCCc1c(O)ccc2c1O[C@](CCl)(Cn1nnc3ccccc31)CC2=O 587459314 ODNJJEVBBHETRN-HXUWFJFHSA-N 385.851 3.732 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccnc(Cl)c1)O2 587372549 JPSQBMCXPGYWTR-INIZCTEOSA-N 381.657 3.881 50 1 GHGF O=C1[C@@H](Cl)[C@@H](c2ccccc2Cl)N1/N=C/CCn1nnc2ccccc21 66258621 VAUUJXQGMDDIPU-FXMMDWOBSA-N 388.258 3.652 50 1 GHGF CC(C)(C)OC(=O)N1CCC2(CC1)COC1(OO2)C2CC3CC(C2)CC1C3 49888689 ZJPGSVSZIQWDTC-UHFFFAOYSA-N 379.497 3.887 50 1 GHGF C/C(=N\NC(=O)c1cc(Br)ccc1O)c1nc2ccccc2s1 95559520 XAZXOBJILDAGEL-DJKKODMXSA-N 390.262 3.918 50 1 GHGF CC(=O)N1CCc2cc([C@@]3([C@H](C)Cl)CC(=O)c4cc(C)cc(N)c4O3)ccc21 587373546 RIGLDWXEQZDWQK-XMHCIUCPSA-N 398.890 3.974 50 1 GHGF COc1ccccc1[C@@]1(CCCCl)NCCc2ccc(C(=O)N(C)C)cc21 962930529 YLVJJZOTRKTWBK-JOCHJYFZSA-N 386.923 3.805 50 1 GHGF O=P(O)(O)Cc1ccccc1OP(=O)(c1ccccc1)c1ccccc1 8016165 PIOMGFJWXBVGSG-UHFFFAOYSA-N 388.296 3.672 50 3 GHGF COc1ccccc1/C=N\NC(=O)c1ccccc1OCCOc1ccccc1 33415375 RJDNTDMXGDUZRU-ULJHMMPZSA-N 390.439 3.917 50 1 GHGF C=C1C[C@@H]2O[C@@H]3[C@H]4[C@H](C[C@@H](C)[C@@H](OC(C)=O)[C@@H]24)[C@@H](C)CO[C@@]3(C)CC[C@H]1OO 195333707 NHDWDZVEJGRIDB-LEHZBQOVSA-N 394.508 3.597 50 1 GHGF CCOC(=O)[C@H](Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323936 OBGFIEAHUMOIBQ-KPFFTGBYSA-N 392.810 3.819 50 1 GHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)C(F)F 587557438 RTGCJEYZWFLSPI-LRDDRELGSA-N 385.160 3.753 50 1 GHGF Cc1c(C)c2ccc(OCC(=O)N/N=C/c3ccc(Cl)cc3)cc2oc1=O 95577086 NVXPPKAARNLWJA-LSHDLFTRSA-N 384.819 3.592 50 1 GHGF CCOC(=O)c1c(C)[nH]c([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587371966 ITLUFRGUWLOLAR-HXUWFJFHSA-N 390.867 3.798 50 1 GHGF COc1ccc(F)cc1[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587384644 GUWKABPPCZGIBU-SFHVURJKSA-N 394.240 3.981 50 1 GHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Cl)[C@H](O)C[C@@H]([C@@H](Br)CC)O1 2356686948 YHVFINYCOUVCNK-SOAFEQHCSA-N 384.141 3.863 50 1 GHGF O=C(N/N=C\c1ccncc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 60238579 CADKYGMJVXBBEV-QRVIBDJDSA-N 378.819 3.751 50 1 GHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(O)c(O)c1 587542307 GNLJUCFNLNHMHV-NQIIRXRSSA-N 398.798 3.899 50 1 GHGF Cn1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587327598 QDXWBTFCPPEJAV-ICSRJNTNSA-N 386.810 3.758 50 1 GHGF CC(=O)OC[C@@H]1/C(C=O)=C\C[C@@H]2O[C@@]2(C)C[C@@H](O)[C@H]1[C@H](C)CCC=C(C)C 85598306 UCDYQMDWYRMCHG-LAEBWEQSSA-N 378.509 3.602 50 1 GHGF CC(=O)[C@H](Br)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587670217 JEVFLJRMXZRYCP-FOGGNADHSA-N 379.067 3.516 50 1 GHGF CCCc1c(O)ccc2c1O[C@](CNC(=O)CCl)(c1ccccc1)CC2=O 587460771 PDXQJCNVCIMVLK-OAQYLSRUSA-N 387.863 3.560 50 1 GHGF C#CC=C[C@H](Cl)[C@H](O)[C@@H]1CC=C(Cl)C[C@H](Br)[C@H](CC)O1 2356542505 UHVDBXSAVVOELD-YTFOTSKYSA-N 382.125 3.988 50 1 GHGF C[C@H](C(=O)NNC(=O)NCc1ccccc1)c1cccc(Cc2ccccc2)c1 84597032 LVHDEPCBAGOACQ-SFHVURJKSA-N 387.483 3.912 50 1 GHGF Cc1sc2c(c1C)CCN[C@@]2(CCl)c1ccc2c(c1)NC(=O)[C@H](C)O2 963010146 MBRZASNKECAVBF-WLRWDXFRSA-N 376.909 3.712 50 1 GHGF O=C1O[C@@H](c2ccc(C(F)(F)F)cc2)C[C@]23OO[C@@]4(C=C12)CCCC[C@H]4O3 96934036 LAKKZSYIRZDJHU-AHCXZYCDSA-N 382.334 3.990 50 1 GHGF C#CCN[C@@H]1CCc2c(OCCOc3cccc(NC(=O)CCl)c3)cccc21 1857747690 KHCNTJLQAGROMN-HXUWFJFHSA-N 398.890 3.532 50 1 GHGF CC(=O)NNC(=O)[C@H]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1 253695817 CXAGIDWECUGGOD-JOCQHMNTSA-N 394.397 3.537 50 1 GHGF CC(C)(F)[C@H](Br)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587087628 RZOUFQYVIXPWGY-LLVKDONJSA-N 394.248 3.806 50 1 GHGF Cn1cccc1CN1CCc2sccc2[C@]12CCCC(=O)[C@@H]2Br 962398451 NOLQIATXJZRLLF-ROUUACIJSA-N 393.350 3.857 50 1 GHGF O=C(CCCC[C@H]1CCSS1)Nc1ccc2c(c1)C[C@@H](C(=O)O)OC2 42963125 YMAKLUCZHGNMLT-HOTGVXAUSA-N 381.519 3.865 50 1 GHGF N#CC1=C(N)Oc2c(ccc3cnccc23)[C@H]1c1cncc(Br)c1 40767394 HNHRTHRGCYMYRX-MRXNPFEDSA-N 379.217 3.610 50 1 GHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CN(C)C(C)=O)cc1)[C@@H](C2)C3=O 587417996 QXEMLRZVENYVNN-PGRDOPGGSA-N 399.874 3.555 50 1 GHGF C=CCN1C(=O)[C@]2(Cc3ccccc3)SS[C@H]1C(=O)N2Cc1ccccc1 1857608472 ZXKXIFURHXWVKE-FPOVZHCZSA-N 396.537 3.704 50 1 GHGF CNc1nc(C(F)(F)F)c(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)s1 653897415 JTCNCXLQOUJHBB-GEVRCRHISA-N 396.316 3.986 50 1 GHGF CCC(CC)(C(=O)OC)[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587372017 HANPUNDQXKUEDP-SFHVURJKSA-N 398.297 3.656 50 1 GHGF COC(=O)OCc1ccc([C@@]23CC[C@H]4CCCC[C@]4(OO2)[C@H](OC)O3)cc1 38153508 NDWYUJDAXCIIOE-RARDXLECSA-N 378.421 3.796 50 1 GHGF C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](Br)C2=O 215323770 HHBJAYQKGVUDKP-XQYMAJCNSA-N 379.294 3.640 50 1 GHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(NC(C)=O)cc1F)[C@@H](C2)C3=O 587425956 ITEOSBUTCRWFPI-YWZLYKJASA-N 389.810 3.674 50 1 GHGF COc1ccccc1[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587373729 NHPDBYKYLZDZDI-SFHVURJKSA-N 376.250 3.841 50 1 GHGF Oc1ccc2c(c1)[C@](CBr)(c1cccnc1C(F)(F)F)NCC2 963341699 OQYYLUSQUFNDJZ-HNNXBMFYSA-N 387.199 3.590 50 1 GHGF C=CCn1c(C)cc([C@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)c1C 962932575 RPVFEACHBABBED-QFIPXVFZSA-N 385.939 3.621 50 1 GHGF N#CC1=C(SCc2ccccc2)S[C@H](c2ccc3c(c2)OCO3)NC1=O 84635803 FTCKTOQRYGUTMU-GOSISDBHSA-N 382.466 3.945 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C(F)F)N1 587717141 FHURCZLKJZRSCP-SREIQFSDSA-N 387.037 3.978 50 1 GHGF Cc1nn(CCCl)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587686897 XXMXYTZWOYOCBG-XXFAHNHDSA-N 386.696 3.956 50 1 GHGF CC[C@@]1(CCCC(=O)Cl)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962634937 NACKEZDMDXUGSX-ZBEGNZNMSA-N 393.789 3.725 50 1 GHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Cl)[C@H](O)C[C@@H]([C@H](Br)CC)O1 2356686947 YHVFINYCOUVCNK-GHRCFYLDSA-N 384.141 3.863 50 1 GHGF C[C@H](C(=O)NCCSSCCN(C)C)c1ccc(OC(F)(F)F)cc1 618009415 XNZDXFKBEUTXMU-LBPRGKRZSA-N 396.500 3.748 50 1 GHGF O=C(O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 169371096 QJLBOUDSUVHNPR-XJLQAYGISA-N 385.464 3.789 50 1 GHGF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3C[C@H](OC(C)=O)[C@@H]4C[C@]3(C=C4C=O)CC[C@@H]21 40392477 QXNVDWGXUGYHNS-WJPQBGAJSA-N 388.504 3.849 50 1 GHGF NC(=O)N1CCc2sccc2[C@@]1(CBr)c1cccc(F)c1F 962711979 MYGDIXVPPCNUHN-HNNXBMFYSA-N 387.249 3.602 50 1 GHGF CCCC[C@H](C)[C@H](O)C=C[C@H]1[C@@H]2CC(=C(C#N)CCCC(=O)O)O[C@H]2C[C@H]1O 2356343293 OJIGXQJDLFUVFM-SILRBMDTSA-N 391.508 3.548 50 1 GHGF C[C@@]12CCC(=O)[C@](C)(CBr)[C@H]1CC[C@@]13C(=O)[C@@H]4[C@H](C[C@H]12)[C@]4(C)C3=O 101080812 JJRIGHWQPWXRBY-XWTYIIQYSA-N 393.321 3.577 50 1 GHGF COc1ccc(C(=O)NN=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 68582065 ZQQRKRWJPQJSCI-UHFFFAOYSA-N 390.439 3.895 50 1 GHGF biogenic CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cncc(-c2ccc(F)cc2)c1 664503 BARDBICTUIMGSH-IBGZPJMESA-N 379.391 3.532 50 3 GHGF COc1cccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1F 587384783 ISJACDQWLOLJFS-SFHVURJKSA-N 394.240 3.981 50 1 GHGF Cc1nc2ccccc2cc1C(=O)NN=C1C(=O)Nc2cc(Cl)cc(Cl)c21 1911582310 WLVDUPMEAOOSMV-UHFFFAOYSA-N 399.237 3.936 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOC[C@H]2Br)N1 587679885 HMHIESRBUSKPJY-UGQGEIBHSA-N 393.094 3.502 50 1 GHGF CCC[C@H](Br)C1=C(Br)/C(=C/Br)OC1=O 64564860 ZFDZFWBLOUWEDW-YIWIKUPCSA-N 388.881 3.992 50 1 GHGF NC(=O)COc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496805 FTEFQPMNSQCKLB-JOCHJYFZSA-N 399.874 3.529 50 1 GHGF O=C(Cl)c1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587275428 AMZBVBFLWQHPED-UHFFFAOYSA-N 394.608 3.693 50 1 GHGF CC(C)=CCC(=O)NNC(=O)Cc1cccc2c(=O)c3ccc(C)c(C)c3oc12 103299257 CFQBWQVFBPPAPM-UHFFFAOYSA-N 392.455 3.609 50 1 GHGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@]2(CCCCC[C@H]2Cl)N1 962625252 BXTBJSPXEWAVPG-LZWOXQAQSA-N 377.790 3.951 50 1 GHGF CC(C)(O)[C@H](Br)Cc1c(O)c(C=O)cc2c1[nH]c1ccccc12 72113408 ZECRLZHZPMOKIO-OAHLLOKOSA-N 376.250 3.916 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c[nH]c(C=O)c2)N1 587685284 PGFUKJVWRNQPIA-JDNHERCYSA-N 385.664 3.745 50 1 GHGF CSc1cc([C@@]2(CCl)NCCc3c(C)ccnc32)ccc1NC(C)=O 963078136 XBYLQAPUKYFHLP-LJQANCHMSA-N 375.925 3.698 50 1 GHGF C#CC=CC[C@@H]1O[C@H]([C@@H](Br)CC)C[C@H]2O[C@H]1C[C@@H]2Br 2356384334 FVHHRUHDUJVLNL-UQGHGMQMSA-N 392.131 3.818 50 1 GHGF CC(=O)O[C@H]1CC(C=O)=C[C@H]([C@H]2[C@@]3(CC[C@H]4C(C)(C)CCC[C@@]42C)CO3)O1 144520282 HHGQMCDTIFTDJV-ATUYINLCSA-N 376.493 3.801 50 1 GHGF CCOC(=O)[C@H](Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323937 OBGFIEAHUMOIBQ-QRFRQXIXSA-N 392.810 3.819 50 1 GHGF COc1cccc2c3c(cnc12)CCN[C@]3(CBr)c1cccnc1C 963048543 STJUNRGPCBHLOF-HXUWFJFHSA-N 398.304 3.731 50 1 GHGF O=C(OCC1=CC=C(COC(=O)c2ccncc2)SS1)c1ccncc1 6585022 ZZRMQEPRWKJOKB-UHFFFAOYSA-N 386.454 3.653 50 1 GHGF COc1ccc(C(=O)NN=C(c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 2356870907 PTLFBDZIOOZJBR-UHFFFAOYSA-N 375.384 3.786 50 1 GHGF CN(C)Cc1ccc2nc(NC(=O)N/N=C/c3c[nH]c4ccccc34)sc2c1 299867203 XQYRYBUJYPXTTB-SSDVNMTOSA-N 392.488 3.995 50 1 GHGF CCOC(=O)c1c(C)[nH]c(C)c1[C@@]1(CCl)NCCc2ccc(F)c(C)c21 962089337 GNRSXGBHYHYDAQ-FQEVSTJZSA-N 378.875 3.884 50 1 GHGF CC(C)(C)OC(=O)NNC(=O)N1C[C@@H](CCl)c2c1cc(O)c1ccccc21 27647360 CMFPGTXAVKCDFA-LLVKDONJSA-N 391.855 3.837 50 1 GHGF CN(C)CCSSCCCC(=O)Nc1nc(-c2ccccn2)cs1 621476432 WDWZVOGZBZYXTF-UHFFFAOYSA-N 382.580 3.867 50 1 GHGF O=C1COc2ccc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2N1 587497782 KXHXZDLDSLUNQQ-QFIPXVFZSA-N 397.858 3.996 50 1 GHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)CCl)c[nH]2)N1 587685621 RABVEIYNCWLIIP-ZKANADHPSA-N 385.664 3.961 50 1 GHGF CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587374504 YRTUUXUHYVGOGO-ASSNKEHSSA-N 386.879 3.874 50 1 GHGF COC(=O)C(=O)[C@@H](Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586992960 GVKOXPHOGAYGPE-KRWDZBQOSA-N 379.799 3.777 50 1 GHGF CN(C)S(=O)(=O)CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586931355 AWMQOJFVDHQMOR-UHFFFAOYSA-N 379.376 3.654 50 1 GHGF NCCOCCOCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587246901 YMNQJDYDBNUCDI-UHFFFAOYSA-N 375.363 3.755 50 1 GHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@H]3CC[C@H](O)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101582107 BDVPLUOVTKCZSI-RMBSKEDOSA-N 382.497 3.515 50 1 GHGF Fc1ccc([C@H](Cl)Cn2ncc3c(NCc4ccccn4)ncnc32)cc1 71317530 DRIJFUAWMVHGOZ-QGZVFWFLSA-N 382.830 3.953 50 1 GHGF CCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)NCCCCl)cc1 95553903 ASACWDFZCUTEKS-UHFFFAOYSA-N 395.912 3.800 50 1 GHGF C[C@](Br)(CCl)[C@@H]1C[C@H](O)[C@](C)(C(Cl)=CBr)O1 2356590341 KUMNGEFTSKDDEM-XKNYDFJKSA-N 396.934 3.762 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@@H]1CCCN1C(=O)OC(C)(C)C)O2 587372021 JBCNMHUDQZKJQG-OXJNMPFZSA-N 394.899 3.920 50 1 GHGF COc1cc2c3c(c1)O[C@@](C(=O)Cl)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O 587416599 BMKIVMUJWHYNHN-LHSJRXKWSA-N 381.815 3.893 50 1 GHGF CC(C)Oc1cc2nc(C(C)(C)NC(=O)CCl)[nH]c2cc1Br 587007926 IUUBOWXRXITAPD-UHFFFAOYSA-N 388.693 3.703 50 1 GHGF C/C(=N\NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccc(Cl)cc1 1857761599 BEXOXFYSYPDCCI-IUYLSVMLSA-N 377.822 3.604 50 1 GHGF CC(=O)OC[C@@H]1C(C=O)=CC[C@@H]2O[C@]2(C)C[C@H](O)[C@@H]1[C@H](C)CCC=C(C)C 2356436624 UCDYQMDWYRMCHG-BESQMICMSA-N 378.509 3.602 50 1 GHGF O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCBr 72113655 IDZCZRWTFZJPAG-UHFFFAOYSA-N 397.066 3.983 50 1 GHGF CCC[C@@H](Br)C1=CC(=C(Br)Br)OC1=O 64622114 DXWCWMWYAGBYFX-ZCFIWIBFSA-N 388.881 3.992 50 1 GHGF COc1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587009734 PLZKSQJAXYKPJU-SFHVURJKSA-N 382.851 3.692 50 1 GHGF O=C1c2ccccc2C(=O)N1Cc1c(CBr)[nH]c2cccc(F)c12 587632795 QIEVUUUQNOLWJY-UHFFFAOYSA-N 387.208 3.998 50 1 GHGF CC1=C(c2ccc3nc([C@H](Br)C(C)(C)F)[nH]c3c2)NNC(=O)C1 587086913 IUHJQFPJLOHLRB-AWEZNQCLSA-N 381.249 3.503 50 1 GHGF C/C(=C\C#N)N/C(=N\O)c1ccc(C)nc1Oc1c(F)c(F)cc(F)c1F 101810704 VIQKVMQFISCGNY-WEVVVXLNSA-N 380.301 3.892 50 1 GHGF CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccc3c(c2)OCO3)c(C(=O)OC)c1 101459850 AYNGYNCANVHFQN-MSUUIHNZSA-N 394.383 3.553 50 1 GHGF O=C(NC(=O)c1csnn1)OCCCCCCCCCCBr 34525372 ONCOGXJJGARMDO-UHFFFAOYSA-N 392.319 3.920 50 1 GHGF COc1cc2c3c(c1)O[C@@](c1ccc(CC(=O)O)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587418072 RTGYVZQJRBGFJT-SBOBAANCSA-N 386.831 3.593 50 1 GHGF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2C[C@@H]2C2=C(COC2=O)[C@@H]1[C@H](C)CC=CC(C)(C)OO 2356517735 SDGDVGLXQFITGK-FUFIHVEWSA-N 392.492 3.914 50 1 GHGF CC(=O)Nc1ccc2c3c(n(CCCCl)c(=O)c2c1)-c1ccccc1C3=O 95585826 DHSNGLJXZZFICN-UHFFFAOYSA-N 380.831 3.800 50 1 GHGF COc1cc2c3c(c1)O[C@@](/C(C#N)=C/N(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587417973 GAFZWWGGPJLRTG-HCDOCMDOSA-N 394.858 3.961 50 1 GHGF O=C(COc1ccc(Cl)cc1)NNC(=S)NCCCCC1CCCCC1 96285238 JRAYHZWPXHIVJI-UHFFFAOYSA-N 397.972 3.965 50 1 GHGF CC(C)(C)N(NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1Cl 653907593 JTDKEHXEUNBTEP-UHFFFAOYSA-N 375.812 3.834 50 1 GHGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@@H](OC(C)=O)[C@H]4C[C@@]3(C=C4C=O)CC[C@H]12 2356337154 QXNVDWGXUGYHNS-NKTBJTMRSA-N 388.504 3.849 50 1 GHGF COc1ccc(-c2ccc(C(=O)N(C)CCSSCCN(C)C)o2)cc1 618009651 GLUKUEMMCDJQPG-UHFFFAOYSA-N 394.562 3.970 50 1 GHGF CN(C)CCSSCCN(C)C(=O)c1cc(Cl)c(N)c(Cl)c1 618009791 JARHYJAGWLGVKT-UHFFFAOYSA-N 382.382 3.591 50 1 GHGF Cc1cccc(-n2cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)nn2)c1 587373068 PKIFHAQDISCDAK-HXUWFJFHSA-N 382.851 3.566 50 1 GHGF COc1cc2c3c(c1)O[C@@](c1ccc(CC(=O)O)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587418070 RTGYVZQJRBGFJT-BSPLBBPOSA-N 386.831 3.593 50 1 GHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1nc(CCl)ccc1F 587894187 UMYXGZWSNFNLKE-UHFFFAOYSA-N 385.653 3.977 50 1 GHGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CCl)CC[C@@]43C)[C@@H]1CCC(=O)N2 49803246 GEWGDAIXSKMQFJ-FMZZOXHWSA-N 379.928 3.968 50 1 GHGF C/C=C/[C@H]1C[C@H]([C@@H]2C[C@@H]([C@@H](CCCCCCCC(=O)OC)OO)OO2)OO1 231929758 WBDZRMWZSZDXFJ-UXDHLQCXSA-N 388.457 3.503 50 1 GHGF C=C1C(=O)O[C@H]2/C=C(\C)CC[C@H](OC(C)=O)[C@]3(C)CC[C@@H](OO3)/C(C)=C\C[C@@H]12 238756779 DCNHEHMOEMETOF-MCBDKLJRSA-N 390.476 3.962 50 1 GHGF C[C@@H](CCC(=O)c1c(CO)oc2cc(Br)cnc12)CC(=O)Cl 587274694 ZEGNMUHMZRPESW-QMMMGPOBSA-N 388.645 3.837 50 1 GHGF CCOc1cc(/C=N/N(C(=O)c2ccccc2)C(=O)c2ccncc2)ccc1O 103170656 TVYMFQRCCNVZHV-BUVRLJJBSA-N 389.411 3.503 50 1 GHGF C#CC=C[C@H](Cl)[C@H](O)[C@@H]1CC=C(Cl)C[C@@H](Br)[C@@H](CC)O1 2356542504 UHVDBXSAVVOELD-SEBNEYGDSA-N 382.125 3.988 50 1 GHGF O=C1O[C@@H](c2ccc(C(F)(F)F)cc2)C[C@]23OO[C@@]4(C=C12)CCCC[C@@H]4O3 96934034 LAKKZSYIRZDJHU-ATLSCFEFSA-N 382.334 3.990 50 1 GHGF BrCCCCc1nc2ccc(I)cc2[nH]1 586972628 XXDUNHQIPGKKON-UHFFFAOYSA-N 379.039 3.885 50 1 GHGF C[C@@H]1CC[C@H]2[C@@](C)(COC(=O)c3cccs3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1772584940 HXNSLWGHUCDLHI-QMBUVXEXSA-N 394.489 3.909 50 1 GHGF C[C@@H]1CC[C@H]2[C@@H](CCCC(F)(F)F)[C@@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43872103 CRTAXNMFURFSIL-KWIQEXKKSA-N 380.403 3.899 50 1 GHGF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1NC(=O)[C@H](C)Cl)[C@@H](C2)C3=O 587418167 SGPHPOCWPOYYMD-XTNUZHGASA-N 385.847 3.924 50 1 GHGF CCOC(=O)c1[nH]c(C)c([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587370777 BRYXJBBXQVKXSE-FQEVSTJZSA-N 390.867 3.798 50 1 GHGF COc1cc(C=CC=O)ccc1O[C@@H](C)Cc1cc(OC)c(OC)c(OC)c1 2356349112 SFBXSVRVKLGYSH-HNNXBMFYSA-N 386.444 3.943 50 1 GHGF CC[C@@H](OO)[C@H]1C[C@H]([C@@H]2C[C@H](/C=C/CCCCCCC(=O)OC)OO2)OO1 102183049 HDHNZAODPDSIEW-ADGMYAJHSA-N 388.457 3.503 50 1 GHGF COc1cc2c3c(c1)O[C@](/C(C#N)=C/N(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587417976 GAFZWWGGPJLRTG-IGVAALFASA-N 394.858 3.961 50 1 GHGF CCOC(=O)c1cc(-c2ccccc2)[nH]c1NNC(=O)Cc1ccc(OC)cc1 40896718 POXSLNRCGBLWAM-UHFFFAOYSA-N 393.443 3.553 50 1 GHGF COc1ccc2c(c1)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)[C@H](Br)C2 587372109 JLAAYGRKPRHZLZ-IEBWSBKVSA-N 388.261 3.766 50 1 GHGF NNC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587094763 GGDUWXNKBVKZIF-UHFFFAOYSA-N 388.271 3.871 50 1 GHGF O=C(Cl)c1ccc([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962661191 HRJKWIIHNAMTQK-GCJKJVERSA-N 394.858 3.802 50 1 GHGF CN(C)CCSSCCCNC(=O)CSc1ccc(Cl)cc1 618007826 JXYZVENYLSGUOF-UHFFFAOYSA-N 379.016 3.881 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1ccccc12 587838418 BEBGXFOMCKLXBW-WYRIXSBYSA-N 388.236 3.841 50 1 GHGF Cn1/c(=N/NC(=O)c2cccc(F)c2)sc2cc(OC(F)(F)F)ccc21 53175221 LLKUTDWMTVLVHZ-JCMHNJIXSA-N 385.342 3.523 50 1 GHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CC1 587537604 INRDYACMYNSQRW-YJBOKZPZSA-N 375.218 3.898 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOC[C@@H]2Br)N1 587684518 RDFHYIUMNIKMTE-ULOPGQLASA-N 393.094 3.502 50 1 GHGF COC(=O)CC[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326289 KCMVADNCSHSHKL-ICSRJNTNSA-N 392.810 3.821 50 1 GHGF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(C(=O)NN)cc3[nH]2)c1 587195133 BTOXUZINTUBABH-UHFFFAOYSA-N 395.463 3.513 50 1 GHGF Cc1cccc2nc(-c3ccc(C(=O)N/N=C/c4cc(O)ccc4O)cc3)[nH]c12 299834251 RJQLUSIUZKEWMY-FSJBWODESA-N 386.411 3.713 50 1 GHGF COc1ccc(Cl)cc1C#Cc1cc([N+](=O)[O-])ccc1NC(=O)CCl 587901882 YDBZFGAZIRXQBJ-UHFFFAOYSA-N 379.199 3.834 50 1 GHGF COc1ccc([C@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)cc1Cl 962929664 VNDKDAMHRFARPP-FQEVSTJZSA-N 393.314 3.679 50 1 GHGF CC[C@@H](OO)[C@@H]1C[C@H]([C@@H]2C[C@H](/C=C/CCCCCCC(=O)OC)OO2)OO1 102183044 HDHNZAODPDSIEW-XMTWYTKRSA-N 388.457 3.503 50 1 GHGF CC(C)[C@@H]1CC=C[C@@H]2[C@@H]3[C@](C)(O)C(=O)C[C@H](O)[C@@]3(C)CC[C@]12CBr 2356535156 ZKYQFPARPNOWGE-JZQPTAQHSA-N 399.369 3.717 50 1 GHGF Cc1nonc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587497385 CFNMPDVMCZPDBM-KRWDZBQOSA-N 377.238 3.512 50 1 GHGF Cc1sc2c(c1C)CCN[C@]2(CCl)c1ccc2c(c1)NC(=O)[C@@H](C)O2 963010143 MBRZASNKECAVBF-NSPYISDASA-N 376.909 3.712 50 1 GHGF CN(C(=O)CC(=O)CP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 1637766 GVJBFWGAUYIVNY-UHFFFAOYSA-N 391.407 3.623 50 1 GHGF C=CCSS/C=C/C[S@](=O)CCCN1C(=O)c2ccccc2C1=O 40829615 JYSMMCQEFUGZQJ-YDSNZTKKSA-N 381.544 3.503 50 1 GHGF Cc1ccccc1NS(=O)(=O)c1cccc(NC(=O)NCCCCl)c1 95556023 DSPZLKWTYTYTCJ-UHFFFAOYSA-N 381.885 3.546 50 1 GHGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3ccccc3O)sc2c1 299833844 ZZGKDCVCBCOYCY-CIAFOILYSA-N 397.504 3.999 50 1 GHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(F)c(F)cc2[nH]1 587009681 PCTBUMBOBDWARC-KRWDZBQOSA-N 388.805 3.961 50 1 GHGF C=C1C(=O)O[C@H]2C=C(C)CC[C@H](OC(C)=O)[C@@]3(C)CC[C@H](OO3)C(C)=CC[C@@H]12 253664621 DCNHEHMOEMETOF-SPNOPHAYSA-N 390.476 3.962 50 1 GHGF COC(=O)[C@H](Cl)Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1 26249285 CCNFURFASZUTNE-MRXNPFEDSA-N 388.851 3.666 50 1 GHGF Cc1nn(C)cc1[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587497441 CIKVGORASACBLF-IBGZPJMESA-N 389.293 3.863 50 1 GHGF CCCCNC(=O)c1cccc(C(=O)N/N=C2\CCc3c(Cl)ccc(O)c32)c1 1857598621 OHMOLOBFBLCLCN-JJIBRWJFSA-N 399.878 3.656 50 1 GHGF N#C/C(=C\c1ccc(OCCN2CCOCC2)cc1)c1noc2ccccc12 40506541 VRIGMOHXYUALLC-OBGWFSINSA-N 375.428 3.603 50 1 GHGF O=C(CCl)NC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497755 KSOGMUXYHZAJKK-JOCHJYFZSA-N 383.875 3.781 50 1 GHGF CCO[C@H]1C[C@@]2(C)[C@@H](C[C@@H](Br)[C@H]2O)[C@@H]2CCc3cc(O)ccc3[C@@H]12 13651523 ZWWDDMUDPYJUBF-JHQBWLJPSA-N 395.337 3.998 50 1 GHGF [C-]#[N+][C@]12C(=O)[C@H](C=C(Cl)[C@@]1(C)C=C)C(C)(C)[C@@]1(O)C(=O)N(C)c3cccc2c31 195826053 GFNPBZSGZFQTJA-WOHBTAIZSA-N 396.874 3.519 50 1 GHGF COc1cc(/C=C/C(=O)c2ccc(NC(=O)CCl)cc2)cc(OC)c1OC 299867157 XMTAIORDSGMRNM-RUDMXATFSA-N 389.835 3.786 50 1 GHGF CCOC(=O)C[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689158 QFUFSTYEUGAANC-BJOHPYRUSA-N 378.669 3.510 50 1 GHGF O=[N+]([O-])c1ccc([C@H]2CCO[P@](=O)(N(CCCl)CCCl)O2)cc1 44032003 SQXCFVXTKBWXDG-JCQPUDPBSA-N 383.168 3.961 50 1 GHGF C/C(=N\NC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1)c1ccc(Cl)cc1 95579815 JJBNGFTZKXBXLS-OEAKJJBVSA-N 398.846 3.982 50 1 GHGF CN(C)CCSSCCN(C)C(=O)c1cccc(OC(F)(F)F)c1 618009841 LKRHPPFCFISTEF-UHFFFAOYSA-N 382.473 3.600 50 1 GHGF COC(C)(C)[C@H](Br)c1nc2ccc(Br)c(O)c2[nH]1 586970870 LFNMOVQMOSIERH-SNVBAGLBSA-N 378.064 3.892 50 1 GHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C#N)s1)[C@@H](C2)C3=O 587453807 UGDNJLGWJWHZFN-SJCJKPOMSA-N 390.258 3.666 50 1 GHGF N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCCn2ccnc2)n1 13647795 GYHMJOOTWXEXIU-NBVRZTHBSA-N 375.461 3.585 50 1 GHGF Cc1ccc(Sc2c(C(=O)NNCCO)[nH]c3ccc(Cl)cc23)cc1 35001633 FZRJTQYFUMDHHN-UHFFFAOYSA-N 375.881 3.508 50 1 GHGF NC(=O)c1ccc(NC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 44086852 JBPVUFKQRLNPEJ-UHFFFAOYSA-N 398.503 3.967 50 1 GHGF ClC[C@@H](Cl)c1nc2c(I)cnc(Cl)c2[nH]1 587008398 OJFGQWOIVBAYRX-GSVOUGTGSA-N 376.412 3.735 50 1 GHGF CCCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc4ccccc4c3)[C@@H]2C1 299835145 LUICJZCKNUAQNF-QZNHQXDQSA-N 377.488 3.722 50 1 GHGF CCCCNC(=O)c1ccc(Cl)cc1C(=O)N/N=C/c1ccccc1F 103204183 OXOWFAJYHWGELM-FSJBWODESA-N 375.831 3.773 50 1 GHGF COc1cc2c3c(c1)O[C@@](CCCl)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587421990 OMXCTNKRAQEFOI-BTYIYWSLSA-N 386.831 3.738 50 1 GHGF CC(=O)Nc1ccc([C@@]2([C@@H](C)Cl)c3ccsc3CCN2C(N)=O)cc1 962718114 YKLAXHDYNUMBKK-ZMZPIMSZSA-N 377.897 3.514 50 1 GHGF COc1ccc([C@@H]2O[C@]34C[C@H](c5ccc(F)cc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96933700 PTIBNQYKLMYBAS-KIZRIRGWSA-N 398.386 3.937 50 1 GHGF COc1ccc2c(c1)C[C@@H](Br)[C@]21CC(=O)c2cc(C)cc(N)c2O1 587373812 SXMNHJJOMSNHNI-MJGOQNOKSA-N 388.261 3.766 50 1 GHGF Cc1cc([C@]2(CCl)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1F 963222556 GSRXRWMQGQKHCV-FPOVZHCZSA-N 384.838 3.764 50 1 GHGF O=C(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 195218575 ZCHUXJIYMJIRMM-UHFFFAOYSA-N 380.519 3.511 50 1 GHGF C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2cccc(F)c2[nH]1 95560615 KISZRVOKFHAMGP-ZVBGSRNCSA-N 390.212 3.929 50 1 GHGF CCCc1c(O)ccc2c1OC(CBr)(CBr)CC2=O 587455717 FGZOMIVODFLSDL-UHFFFAOYSA-N 392.087 3.839 50 1 GHGF CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CCCl)c1ccccc1S2 66101177 YCTDZCUZBPDPRV-UHFFFAOYSA-N 396.921 3.695 50 1 GHGF CC(=NNC(=O)c1ccc(Br)cc1O)c1cc2ccccc2n1C 254133747 ZRWBPGRLNRYHLS-UHFFFAOYSA-N 386.249 3.800 50 1 GHGF COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)[C@H](C)Cl)c1)[C@@H](C2)C3=O 587417571 NZIGOXHWYMAUTG-SBOBAANCSA-N 385.847 3.924 50 1 GHGF COc1ccc([C@]2(CCCCCl)c3c(cnn3C)CCN2C)cc1OC 963953706 CNANTKWZWUKHNQ-HXUWFJFHSA-N 377.916 3.578 50 1 GHGF COc1cc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc(Cl)c1OC 13586111 GVMRWDXNMSUISV-GOSISDBHSA-N 385.851 3.641 50 1 GHGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2nc1-c1ccccc1 40915009 ZZZFIOBCPYCZHN-OEAKJJBVSA-N 397.394 3.969 50 1 GHGF Cc1cc(-n2c(C)cc([C@]3(CCl)NCCc4c(C(=O)O)cccc43)c2C)no1 963128463 AMBULFXJDWGXPU-OAQYLSRUSA-N 399.878 3.717 50 1 GHGF Cc1ccccc1OS(=O)(=O)c1ccc(NC(=O)NCCCCl)cc1 95552521 JGRBKAJUHLLRIX-UHFFFAOYSA-N 382.869 3.513 50 1 GHGF NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Br)cc1 957578447 RWCNVQCGEHOJPB-UHFFFAOYSA-N 391.656 3.559 50 1 GHGF Cc1cn(-c2ccc([C@]3(CBr)NCCc4c(C)ccnc43)cc2)cn1 963073665 XMAMMJOHHXWBCO-FQEVSTJZSA-N 397.320 3.668 50 1 GHGF Oc1cc(-c2ccccc2Br)c(O)n1-c1ccnc(CCl)n1 587941417 UZWNEDYZECVUHW-UHFFFAOYSA-N 380.629 3.847 50 1 GHGF COc1ccc([C@@]2(CCCCCl)c3c(cnn3C)CCN2C)cc1OC 963953705 CNANTKWZWUKHNQ-FQEVSTJZSA-N 377.916 3.578 50 1 GHGF C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@@]12C=C[C@](O)(CBr)CC2 6041526 SGUDETSEOVUZCJ-QHSBEEBCSA-N 394.147 3.559 50 1 GHGF COc1ccc2c(c1)[C@](CBr)(C1CCOCC1)N(C(C)C)CC2 962091433 NRJGVQIKKPZVGY-IBGZPJMESA-N 382.342 3.979 50 1 GHGF O=Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 587545963 UKVWXKOKTGYEDU-FXAWDEMLSA-N 383.787 3.629 50 1 GHGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(/N=C/c3ccccc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169308369 FGIXUVWZQYQYHQ-IUVNCLLDSA-N 384.476 3.714 50 1 GHGF CC(=O)NNC(=O)[C@H]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1 101000690 CXAGIDWECUGGOD-BETUJISGSA-N 394.397 3.537 50 1 GHGF C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CC[C@@H](OC(=O)/C(C)=C\C)C(=C)[C@]2(OO)C1 238744126 UOVOQTMUTPAZMZ-XBLFPHNRSA-N 378.465 3.978 50 1 GHGF COc1cccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 587374769 QEXMTSPTZCHKMO-GOSISDBHSA-N 376.250 3.841 50 1 GHGF CC[C@@H]1C=C[C@@H]([C@@H]2C[C@@H]([C@@H](CCCCCCCC(=O)OC)OO)OO2)OO1 231929790 LWTWZXHNYOALAJ-ZBRFXRBCSA-N 388.457 3.503 50 1 GHGF CCOC(=O)c1c(SCc2ccccc2)nn(C)c1NCCCN=C=S 103273984 GMWVASJAFUSCBJ-UHFFFAOYSA-N 390.534 3.794 50 1 GHGF CCOC1=C/C(=C/NNC(=O)N(c2ccccc2)c2ccccc2)C=CC1=O 138261410 PWXCTRFJXJNCGF-WUKNDPDISA-N 375.428 3.982 50 3 GHGF CN(O)C(=O)[C@@H](Br)[C@H](Br)c1ccc2ccccc2c1 28097059 IOSACDLXWXUKTL-OLZOCXBDSA-N 387.071 3.887 50 1 GHGF Cn1cccc1CN1CCc2sccc2[C@@]12CCCC(=O)[C@H]2Br 962398449 NOLQIATXJZRLLF-QZTJIDSGSA-N 393.350 3.857 50 1 GHGF CCN(CC)CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3 43692907 LFCVCCZDBJKPAK-RHAOSNMYSA-N 383.529 3.553 50 1 GHGF C[C@@](Br)(CCl)[C@@H]1C[C@H](O)[C@](C)(/C(Cl)=C/Br)O1 98082336 KUMNGEFTSKDDEM-SNYDYCHNSA-N 396.934 3.762 50 1 GHGF COc1ccccc1C(=O)NNC(=O)c1ccc(-c2ccc(SC)cc2)o1 1857648122 ZKIYHLIANHDLPF-UHFFFAOYSA-N 382.441 3.752 50 1 GHGF CCN(CC)C(=O)c1cccc(C(=O)N/N=C2\CCc3c(Cl)ccc(O)c32)c1 1857560748 SROMBAQYBJJYEK-HAVVHWLPSA-N 399.878 3.608 50 1 GHGF O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(OC(F)F)cc1 1857568192 SENPSOWDFXIGIM-UFWORHAWSA-N 385.164 3.520 50 1 GHGF COc1cc2c3c(c1)O[C@](c1ccc(CC(=O)O)cc1)([C@H](C)Cl)[C@@H](C2)C3=O 587418073 RTGYVZQJRBGFJT-VQDICGIKSA-N 386.831 3.593 50 1 GHGF CCOC(=O)C[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689486 TVSYQIREQDLRQN-BJOHPYRUSA-N 378.669 3.510 50 1 GHGF COc1ccc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587411233 CLDQMMNHZYTMBP-DNVCBOLYSA-N 389.245 3.742 50 1 GHGF CCOC(=O)[C@H](Cl)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587689890 XRAAERLMIMVYRZ-AFEMSUNCSA-N 378.669 3.508 50 1 GHGF CN(C)CCSSCCCNC(=O)Cc1c[nH]c2cc(Cl)ccc12 618017238 IAHRDIXQQRKEPT-UHFFFAOYSA-N 385.986 3.813 50 1 GHGF COc1ccc2nc(NC(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)sc2c1 28823218 KEDNCKYGIKYDOZ-KEBDBYFISA-N 385.405 3.759 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)CC([C@H](C)Br)([C@H](C)Br)O2 587376378 XGBLCQJQLPPDJZ-IUCAKERBSA-N 391.103 3.848 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(=O)CBr)ccc1O)O2 587375242 RVXREMOLMMUMES-QGZVFWFLSA-N 390.233 3.567 50 1 GHGF N#CSc1ccc(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587895357 CRKHKSWJANMZDF-UHFFFAOYSA-N 390.295 3.859 50 1 GHGF C[C@]1(C(Cl)=CBr)O[C@H]1C[C@@H](O)[C@@](C)(Br)CCl 2356442461 CXVSMEZMNLCDFI-XFWSIPNHSA-N 396.934 3.762 50 1 GHGF COc1ccc2cc(C(=O)NN/C=C3\Sc4ccccc4C3=O)ccc2c1 15974069 CZEHPSVKGROPIY-UNOMPAQXSA-N 376.437 3.913 50 3 GHGF aggregator O=C(CCl)c1c[nH]c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587543883 MGWVAXOHXBXXLQ-PXNSSMCTSA-N 383.787 3.845 50 1 GHGF CCC(=O)Nc1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587416741 DKXIQETZBGIIOW-IIBYNOLFSA-N 385.847 3.925 50 1 GHGF CCOC(=O)[C@H](Cl)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689551 UIGYMCJOQCKXQC-IIRLODAESA-N 378.669 3.508 50 1 GHGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@H]1c1ccc(Cl)cc1 103175382 SLUNRMPWOFGFCK-UKRRQHHQSA-N 394.645 3.841 50 1 GHGF N[P@](=O)(OCc1ccc([N+](=O)[O-])cc1Cl)N(CCCl)CCCl 64540297 IJBNCLGZDABXGM-QFIPXVFZSA-N 390.591 3.611 50 1 GHGF C=C(C)[C@@H](C)CC[C@]1(C)[C@H]2CC(=O)C3=C(C(=O)OC3)[C@]2(C)C[C@@H](O)[C@@H]1Cl 85639230 HFCCRDNOKJSEJX-TYECGNBWSA-N 380.912 3.806 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1ccccc12 587838416 BEBGXFOMCKLXBW-NSPYISDASA-N 388.236 3.841 50 1 GHGF CCc1ccc2c(c1)[C@@]1(C(C=O)=CO2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962639415 WAPZRYKQPBGRKX-OYLFLEFRSA-N 393.483 3.861 50 1 GHGF O=C1[C@H](Cl)[C@@H](c2ccccc2Cl)N1/N=C/CCn1nnc2ccccc21 66258623 VAUUJXQGMDDIPU-CZNNXAQKSA-N 388.258 3.652 50 1 GHGF O=C1COc2ccc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)cc2N1 587497779 KXHXZDLDSLUNQQ-JOCHJYFZSA-N 397.858 3.996 50 1 GHGF C#C/C=C/C[C@H]1O[C@H]2C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2Br 145359146 DPWYAIMGBFGBCG-FKYAUMJASA-N 392.131 3.818 50 1 GHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccccc1F)[C@@H](C2)C3=O 587426429 NNGWYHLCBNMFLH-UGSOOPFHSA-N 377.209 3.872 50 1 GHGF CCC(=O)N1CCc2cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)ccc21 587372330 KJCGHIXRSUJTMO-QFIPXVFZSA-N 398.890 3.976 50 1 GHGF C=C1C[C@H]2O[C@H]3[C@H]4[C@H](C[C@@H](C)[C@@H](OC(C)=O)[C@H]42)[C@@H](C)CO[C@@]3(C)CC[C@H]1OO 44386630 NHDWDZVEJGRIDB-XUMSXVBISA-N 394.508 3.597 50 1 GHGF N#C/C(=C\c1ccccc1)S(=O)(=O)NCc1ccc(OC(F)(F)F)cc1 621477380 JCIZSWNTXURRJS-MHWRWJLKSA-N 382.363 3.569 50 1 GHGF CC1=NC(C)=C(C#N)[C@H](c2ccc3[nH]nc(OCCOC(C)C)c3c2)[C@@H]1C#N 169694593 PDPVWAYJDRKXJH-YLJYHZDGSA-N 377.448 3.862 50 1 GHGF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=O)CC[C@@H]4[C@@H]3C[C@H](Cl)[C@@]2(O)C1 2356729715 DNJABCBTMIQRHM-YAZPTWOLSA-N 382.928 3.862 50 1 GHGF CC(=O)[C@H](Br)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587669914 GVXGYBUTPFFAHP-HNWMMTHTSA-N 393.094 3.690 50 1 GHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1ccccc12 587838415 BEBGXFOMCKLXBW-JEOXALJRSA-N 388.236 3.841 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)CCl)c[nH]2)N1 587685512 RABVEIYNCWLIIP-BCTVWOGZSA-N 385.664 3.961 50 1 GHGF CCOC(=O)c1c(C)[nH]c(C)c1[C@]1(CCl)NCCc2ccc(F)c(C)c21 962089355 GNRSXGBHYHYDAQ-HXUWFJFHSA-N 378.875 3.884 50 1 GHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(N4CCOC4=O)cc1)[C@@H](C2)C3=O 587417000 HTMJVMBLPZWJKZ-HRAATJIYSA-N 399.830 3.534 50 1 GHGF O=C(NNc1cc(Br)c(O)c(Br)c1)c1ccccc1 4076418 CHQWSTWLMNEQBG-UHFFFAOYSA-N 386.043 3.674 50 3 GHGF Cc1nc2sccn2c1C(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1 653799717 YTOJKVATVDCHJT-UHFFFAOYSA-N 392.440 3.571 50 1 GHGF CCc1c([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[nH]c(C)c1C(C)=O 587423236 UFJASYRGYBKOFJ-VFNWGFHPSA-N 387.863 3.978 50 1 GHGF CCOC(=O)C[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587689160 QFUFSTYEUGAANC-RFAUZJTJSA-N 378.669 3.510 50 1 GHGF NNC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 587271561 FUXPHQHCWGSRRB-UHFFFAOYSA-N 389.371 3.534 50 1 GHGF Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1CCCl 587685203 OIJCNESEPQWJJO-FVMDXXJSSA-N 386.696 3.956 50 1 GHGF COc1ccc([C@H]2NCCc3c2c(C(C)C)nn3C)cc1OCCCCl 962914016 CGKHWNDNKBCZCW-HXUWFJFHSA-N 377.916 3.795 50 1 GHGF CC1(C)O[C@](C)([C@@H]2CC[C@]3(C)OC(=O)CC[C@H]3O2)CC[C@@H]1Br 2356793306 HECWWSBEMBBKGK-ZWRJDUBHSA-N 375.303 3.741 50 1 GHGF COC(=O)CC[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687133 FUUIEWSHWGWLAC-PSLIRLAXSA-N 378.669 3.510 50 1 GHGF C[C@@H]1CC[C@H]2[C@@H](CCC(=O)C(C)(C)C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 103105355 BYOJDZPLHMDEDH-UELDWBKYSA-N 380.481 3.770 50 1 GHGF C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSSCCN(C)C 618008312 FECRRIPMRXWXQS-HNNXBMFYSA-N 378.563 3.666 50 1 GHGF NNC(=O)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587148269 AIMWQKXREBZUFY-IBGZPJMESA-N 375.407 3.507 50 1 GHGF CC(=O)OC[C@@H]1/C(C=O)=C\C[C@H]2O[C@]2(C)C[C@@H](O)[C@H]1[C@H](C)CCC=C(C)C 169653263 UCDYQMDWYRMCHG-HCNZJBPCSA-N 378.509 3.602 50 1 GHGF O=C(NNc1nncc2ccccc12)[C@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 49111979 JBURNXGBLGPNRU-HOTGVXAUSA-N 388.349 3.775 50 1 GHGF CN(C)CCSSCCn1cc(-c2ccc(Br)cc2)nn1 618012480 IRKBFEXRIMCIHV-UHFFFAOYSA-N 387.372 3.651 50 1 GHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c[nH]c(C=O)c2)N1 587685285 PGFUKJVWRNQPIA-XXFAHNHDSA-N 385.664 3.745 50 1 GHGF COc1ccc(C(=O)C(C#N)=CNC2CCN(Cc3ccccc3)CC2)cc1 1857621350 ZUUWRPVQFWNWID-UHFFFAOYSA-N 375.472 3.540 50 1 GHGF CC[C@@H]1C=C[C@H]([C@@H]2C[C@H]([C@@H](CCCCCCCC(=O)OC)OO)OO2)OO1 102183104 LWTWZXHNYOALAJ-ZKXLYKBJSA-N 388.457 3.503 50 1 GHGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@H]1c1ccccc1Cl 103175371 WVCWHLWGPAGHCS-UKRRQHHQSA-N 394.645 3.841 50 1 GHGF C#C/C=C/C[C@@H]1O[C@H]([C@H](Br)CC)C[C@H](Br)[C@H]2C[C@H]1O2 254078660 QVSXXUNREJZJAN-WYYGJFKXSA-N 392.131 3.818 50 1 GHGF COc1cc2c3c(c1)OC1(CC(C)(C)N(C(=O)CCl)C(C)(C)C1)[C@@H](C2)C3=O 587419965 GADQDQDPVKPSNJ-AWEZNQCLSA-N 391.895 3.600 50 1 GHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c[nH]c(C=O)c2)N1 587687044 YOBAUICHUJFEEV-FVMDXXJSSA-N 385.664 3.745 50 1 GHGF CC[C@@]12Oc3ccccc3[C@H](O)[N@@]1[C@H]2P(=O)(c1ccccc1)c1ccccc1 1857620477 BVTMTWCOBRHBHG-ZJZGAYNASA-N 391.407 3.832 50 1 GHGF C#C/C=C\C/C=C1\O[C@H]2C[C@H]([C@H](Br)CC)O[C@H]2[C@@H]1Br 59725750 ZAKKSVIAKVSQCR-SXUYWNGASA-N 390.115 3.943 50 1 GHGF C=C(C(=O)OC)[C@@H]1CC[C@]2(C)O[C@@H]2CC[C@](C)(OO)C=CC[C@]2(C)O[C@H]2C1 2356659411 BFAFHXDINGOVQJ-AGMFQBESSA-N 380.481 3.806 50 1 GHGF O=C(N/N=C\c1ccc2c(c1)OCO2)c1cc(-c2ccncc2)nc2ccccc12 33332633 MSNRYQLOMIQMBP-MXAYSNPKSA-N 396.406 3.789 50 1 GHGF O=C1C(=O)N(CCCCCl)c2c(Br)cc(Br)cc21 72125881 YTFZPOYAIOGSQT-UHFFFAOYSA-N 395.478 3.760 50 1 GHGF COC1=COC(CCl)=C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587542401 IZQRMNHGEALIBT-YLJYHZDGSA-N 386.787 3.733 50 1 GHGF C=C1C(=O)O[C@@H]2/C=C(\C)CC[C@H](OC(C)=O)[C@@]3(C)CC[C@H](OO3)/C(C)=C\C[C@@H]12 238758298 DCNHEHMOEMETOF-SWDIZNOVSA-N 390.476 3.962 50 1 GHGF COc1ccc(-c2ccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c(F)c2)c(F)c1 587152854 SOHZVYVSQRQJEF-UHFFFAOYSA-N 394.381 3.787 50 1 GHGF O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 253898108 QJLBOUDSUVHNPR-JWXQEZTDSA-N 385.464 3.789 50 1 GHGF CC(=O)[C@H](Br)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587670218 JEVFLJRMXZRYCP-IYJJDOBESA-N 379.067 3.516 50 1 GHGF CC[C@@]1(CCCC(=O)Cl)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962634933 NACKEZDMDXUGSX-BZNIZROVSA-N 393.789 3.725 50 1 GHGF C=C1C(=O)O[C@H]2/C=C(\C)CC[C@@H](OC(C)=O)[C@@]3(C)CC[C@H](OO3)/C(C)=C\C[C@@H]12 169653624 DCNHEHMOEMETOF-KYFHGQTHSA-N 390.476 3.962 50 1 GHGF CCCCNC(=O)c1ccc(Cl)cc1C(=O)N/N=C/c1ccc(F)cc1 103204173 PSLLVWPGXSSLHM-FSJBWODESA-N 375.831 3.773 50 1 GHGF C#CC=CC[C@@H]1O[C@H]([C@@H]2C[C@H](Br)[C@@H](CC)O2)C[C@@H]1Br 2356490012 SKSTYQSRJPCZSW-LOVFCKMRSA-N 392.131 3.818 50 1 GHGF CCOP(=O)(C[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)OCC 587449533 PCLGMEDQQQESIX-DYVFJYSZSA-N 388.784 3.686 50 1 GHGF Cc1ccc(NC(=O)c2c(NC(=O)CCCCl)c(C#N)c3n2CCC3)cc1 103278455 AWSCIVJDVNEEAY-UHFFFAOYSA-N 384.867 3.824 50 1 GHGF C#CC=CCC=C1O[C@@H]2C[C@H]([C@H](Br)CC)O[C@H]2[C@H]1Br 2356386867 ZAKKSVIAKVSQCR-DVLUHMITSA-N 390.115 3.943 50 1 GHGF CC(=O)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321225 ILWBNRGCDFSURD-FUHWJXTLSA-N 393.208 3.613 50 1 GHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1nccc(CCl)c1F 587894163 UAGQDGCUHDAKEV-UHFFFAOYSA-N 385.653 3.977 50 1 GHGF O=C(CCCN1CC[Si](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 170169552 IMFLKRNUSHCDBK-UHFFFAOYSA-N 391.946 3.603 50 1 GHGF Cc1ccccc1N(CC(=O)N/N=C/c1ccc(F)cc1)C(=O)c1ccccc1 6997743 UMASIUIWFJENCU-MFKUBSTISA-N 389.430 3.931 50 3 GHGF C#C/C=C\C[C@@H](Cl)[C@H]1C[C@H](Cl)[C@@H](O)[C@H](CBr)[C@H](CC)O1 238733034 MFEVKEHDTZDLJG-KWFYYQOCSA-N 384.141 3.720 50 1 GHGF NNC(=O)c1cc(-c2cc3cc(Br)ccc3o2)n(-c2ccccc2)n1 1857609286 PSWANQDXTZKCNQ-UHFFFAOYSA-N 397.232 3.652 50 1 GHGF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2[C@H](Cl)C(C)=O)cc1 28950939 XBEVZRUEOZSTOW-RTBURBONSA-N 389.835 3.616 50 1 GHGF COc1cccc(COc2ccc(/C=N/NC(=O)c3cccc(O)c3)cc2)c1 653909288 ZDCCUYRITDHQJU-OEAKJJBVSA-N 376.412 3.744 50 1 GHGF N#Cc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 95808752 INIYPUIODTZCOB-LFVJCYFKSA-N 392.459 3.693 50 1 GHGF C#CC=CCC=C1O[C@@H]2C[C@H]([C@H](Br)CC)O[C@@H]2[C@H]1Br 2356386869 ZAKKSVIAKVSQCR-OLOXDWRXSA-N 390.115 3.943 50 1 GHGF Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3cccc(C(=O)O)c3)o2)c(C)c1 5175648 AHILHEZCIMYLDM-FMCGGJTJSA-N 392.411 3.791 50 3 GHGF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43[C@H](O)CBr)[C@H]1CCC2=O 253710598 XCYXYAOVXGECBM-HKIKYGAMSA-N 395.337 3.823 50 1 GHGF CN(C)CCSSCCNC(=O)c1ccccc1OCc1ccccc1 618008495 HMIIRDQXAWGMKO-UHFFFAOYSA-N 390.574 3.938 50 1 GHGF COC(=O)[C@]1(CCCCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587685268 PCAFDJVYQQTFII-RFAUZJTJSA-N 378.669 3.510 50 1 GHGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@H](Br)C[C@@H]2Br 2356743122 DPWYAIMGBFGBCG-BYGOPZEFSA-N 392.131 3.818 50 1 GHGF CCCCCCN1C(=O)/C(=N\NC(=O)c2ccc(OC)cc2)c2ccccc21 40861654 FNWZHCYZGLGCAJ-ATJXCDBQSA-N 379.460 3.756 50 1 GHGF ClC[C@H](Cl)c1nc2c(I)cnc(Cl)c2[nH]1 587008399 OJFGQWOIVBAYRX-VKHMYHEASA-N 376.412 3.735 50 1 GHGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c[nH]c(C=O)c2)N1 587687048 YOBAUICHUJFEEV-XXFAHNHDSA-N 385.664 3.745 50 1 GHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Cl)[C@H](O)C[C@H]([C@@H](Br)CC)O1 2356686949 YHVFINYCOUVCNK-VMCMIOBHSA-N 384.141 3.863 50 1 GHGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586973044 FGRAZQBPHZGSNC-JTQLQIEISA-N 395.278 3.856 50 1 GHGF CCOC(=O)C[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325668 GMOCMTOMSWFWDJ-QUCCMNQESA-N 392.810 3.821 50 1 GHGF COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc(Cl)c1OC 13586110 GVMRWDXNMSUISV-SFHVURJKSA-N 385.851 3.641 50 1 GHGF C/C(=N\NC(=O)Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 38807524 ZXCFBBISNVIGCE-VCHYOVAHSA-N 377.198 3.903 50 1 GHGF CCC[C@H](Br)C1=CC(=C(Br)Br)OC1=O 64622113 DXWCWMWYAGBYFX-LURJTMIESA-N 388.881 3.992 50 1 GHGF C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)c1ccccc1Br 4863635 VCKKMQUGRDQVQA-UDWIEESQSA-N 389.249 3.916 50 3 GHGF COc1cccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c1 587374771 QEXMTSPTZCHKMO-SFHVURJKSA-N 376.250 3.841 50 1 GHGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccon4)c1C)[C@@H](C2)C3=O 587416717 CZCHDMDBDUPICW-KKSFZXQISA-N 398.846 3.972 50 1 GHGF O=Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 587545969 UKVWXKOKTGYEDU-YLJYHZDGSA-N 383.787 3.629 50 1 GHGF CC(C)(C)OP(=O)(OC(C)(C)C)[C@@H](O)c1ccc(/C=C(\C#N)C(N)=O)cc1 1625424 KSQOVUNSTXWVOS-GSPCDJLXSA-N 394.408 3.893 50 1 GHGF CSC(=S)O[C@H]1[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@H]12 195516015 FPMWPZCUVFMELL-WUHRBBMRSA-N 394.631 3.918 50 1 GHGF C/C(=N\NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1nc(-c2ccccc2)[nH]c1C 71331272 FLZPKLZBUIZMJL-MFFYYBHRSA-N 387.418 3.972 50 1 GHGF C[C@H](NC(=O)C(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1)c1ccccc1 147509810 RQZKCSKAZWNPOK-NHKNYXOTSA-N 382.485 3.653 50 1 GHGF CN(C)NC(=O)Nc1cccc2c1C(=O)c1c(-c3csc(Cl)c3)n[nH]c1-2 13588750 MVQCSFALNJRIQP-UHFFFAOYSA-N 387.852 3.601 50 1 GHGF CCNCC1=C(C(F)(F)F)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103183673 DKFOUHSJTJQJRU-BTDOCVFRSA-N 377.403 3.658 50 1 GHGF CC[C@@H](OO)[C@@H]1C[C@@H]([C@@H]2C=C[C@@H](CCCCCCCC(=O)OC)OO2)OO1 231929799 QAMDHRQSVQULEB-ZBRFXRBCSA-N 388.457 3.503 50 1 GHGF COc1cc(/C=N\NC(=O)c2ccco2)ccc1OCc1ccc([N+](=O)[O-])cc1 33321645 DEPMQUBFSNOPDF-MTJSOVHGSA-N 395.371 3.539 50 1 GHGF CCCn1nc(-c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1C(=O)NN 73138878 UPXOOQCUTRQAKL-UHFFFAOYSA-N 391.450 3.706 50 1 GHGF COC1=COC(CCl)=C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587542399 IZQRMNHGEALIBT-PXNSSMCTSA-N 386.787 3.733 50 1 GHGF C[C@H](c1ccc(CBr)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586974718 YQJSVQBGPICWPL-SNVBAGLBSA-N 386.249 3.941 50 1 GHGF CCCC[C@H](C)[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H]2OC(=C(C#N)CCCC(=O)O)C[C@@H]21 2356343297 OJIGXQJDLFUVFM-SQMLOMKFSA-N 391.508 3.548 50 1 GHGF CC(C)(NC(=O)CCl)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587009399 DFFGHQXOMBFUNZ-UHFFFAOYSA-N 398.610 3.934 50 1 GHGF N#CC1=C(NC(=S)Nc2ccccc2)N(c2ccccc2)C(=O)N2CCC[C@H]12 103152777 AACIXTGZAJECDL-GOSISDBHSA-N 389.484 3.813 50 1 GHGF COC(=O)OCc1ccc([C@@]23CC[C@H]4CCCC[C@@]4(OO2)[C@H](OC)O3)cc1 101000319 NDWYUJDAXCIIOE-WSTLGDPDSA-N 378.421 3.796 50 1 GHGF CC(C)(C)N(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1Cl 103186377 RNBWAEDCPRUHDB-UHFFFAOYSA-N 375.812 3.834 50 1 GHGF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43[C@@H](O)CBr)[C@H]1CCC2=O 253710605 XCYXYAOVXGECBM-SEVYPCERSA-N 395.337 3.823 50 1 GHGF CCN(CC)S(=O)(=O)c1ccc2nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c2c1 587188776 WMZIXCAUXGAGER-SFQUDFHCSA-N 394.500 3.966 50 1 GHGF CCOC(=O)c1c([C@]2(CCl)NCCc3c(C)ccnc32)c(C)n(CC)c1C 963066369 GYXMGZHPRAFZCW-NRFANRHFSA-N 389.927 3.633 50 1 GHGF O=C1C=C/C(=C/NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)C=C1O 13126067 IJFCHXFGOGMCCH-PFONDFGASA-N 383.407 3.601 50 3 GHGF CCOc1ccc2ccccc2c1C(=O)NCCSSCCN(C)C 618009493 YYXWAFLYIAUNRS-UHFFFAOYSA-N 378.563 3.911 50 1 GHGF CC(C)OC(=O)C[C@]1(CCl)c2ccsc2CCN1Cc1cccnc1 962996336 JCKHHFSFYPAIEH-IBGZPJMESA-N 378.925 3.977 50 1 GHGF COc1ccc(S(=O)(=O)N(Nc2ccccc2)C(=O)Oc2ccccc2)cc1 653781728 RUSMLPQMVJSIGP-UHFFFAOYSA-N 398.440 3.912 50 1 GHGF CC[C@]1([C@H](Cl)C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587690120 ZHCCWWFDHIMCLV-YVILZHTOSA-N 378.669 3.508 50 1 GHGF CC(=O)Oc1ccc(-c2c(CCl)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587649292 PBTPPZCYZQOLST-UHFFFAOYSA-N 377.849 3.903 50 1 GHGF NNC(=O)c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587150053 JWXZDZFIMFSWJW-LJQANCHMSA-N 394.381 3.613 50 1 GHGF CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccccc4)[C@]13OO2 43834259 NMQWAJYVBNLOLN-DIZVHYTASA-N 376.449 3.850 50 1 GHGF C=CCN1C(=O)CS/C1=N\NC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 103200115 OQPLRLNOJRAWMP-YXHKKPSTSA-N 397.475 3.745 50 1 GHGF CC[C@H]1C=C[C@@H]([C@@H]2C[C@H]([C@@H](CCCCCCCC(=O)OC)OO)OO2)OO1 102183113 LWTWZXHNYOALAJ-RZFLPCETSA-N 388.457 3.503 50 1 GHGF NC(=O)N1CCc2sccc2[C@]1(CBr)c1cccc(F)c1F 962711980 MYGDIXVPPCNUHN-OAHLLOKOSA-N 387.249 3.602 50 1 GHGF N#CC1=C(N)OC2=C(CNc3c2cccc3[N+](=O)[O-])[C@@H]1c1ccc(Cl)cc1 1857628281 FQMIKCORZUYVGJ-MRXNPFEDSA-N 380.791 3.893 50 1 GHGF CCCc1ccccc1NS(=O)(=O)c1cccc(NC(=O)NCCCl)c1 95552498 CPJMEWBIYDFDKJ-UHFFFAOYSA-N 395.912 3.800 50 1 GHGF CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587371965 ITLUFRGUWLOLAR-FQEVSTJZSA-N 390.867 3.798 50 1 GHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(N4CCOC4=O)cc1)[C@@H](C2)C3=O 587417001 HTMJVMBLPZWJKZ-KKSFZXQISA-N 399.830 3.534 50 1 GHGF COC(=O)CC[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587690167 ZTQIJTQHKHXNHB-PSLIRLAXSA-N 378.669 3.510 50 1 GHGF CN(C)CCSSCCCNC(=O)Cc1cccc(C(F)(F)F)c1 618008226 VPFBYMRYNUOGKD-UHFFFAOYSA-N 380.501 3.697 50 1 GHGF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2[C@@H](Br)C(C)C 963192234 QNDHKSADHBSGFQ-ROUUACIJSA-N 398.341 3.816 50 1 GHGF CC(C)CN(NC(=O)OC(C)(C)C)c1nc(C#N)ncc1NCc1ccccc1 58569046 QQLWEZDGZUDBTQ-UHFFFAOYSA-N 396.495 3.862 50 1 GHGF C=CCn1c(C)cc([C@@]2(CCl)NCCc3ccc(C(=O)N(C)C)cc32)c1C 962932574 RPVFEACHBABBED-JOCHJYFZSA-N 385.939 3.621 50 1 GHGF C[C@@H]1CC[C@H]2[C@H](Cc3cccc(F)c3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 103200322 YFURXOUDPJHVOO-UOVNHBKUSA-N 376.424 3.757 50 1 GHGF COc1ccc(CCn2nnnc2CCCC[C@@H]2CCSS2)cc1OC 28823705 XSYOXSBZFVQFJT-OAHLLOKOSA-N 394.566 3.800 50 1 GHGF Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1CCCl 587542335 GPVXFSQXZCWSAI-YLJYHZDGSA-N 384.819 3.839 50 1 GHGF O=[N+]([O-])[C@H](Cl)/C(=N\c1ccc(Br)cc1)n1nnc2ccccc21 103680164 GWUXDZKQFVGHIQ-CQQXOOPHSA-N 394.616 3.614 50 1 GHGF CC[C@]1([C@H](Cl)C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587690000 YMAAKMSSQFEKQI-YVILZHTOSA-N 378.669 3.508 50 1 GHGF C#C/C=C\C[C@@H]1O[C@@H]([C@@H](Br)CC)C[C@@H](Br)[C@H]2C[C@@H]1O2 136368301 QVSXXUNREJZJAN-UIJFIKHOSA-N 392.131 3.818 50 1 GHGF COc1ccc(Cl)cc1C#Cc1cc2c(cc1NC(=O)CCl)OCCO2 587907417 LRLLBFLQZNLDEF-UHFFFAOYSA-N 392.238 3.697 50 1 GHGF O=C(CCl)NC[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587530282 DRWIXBJOZKWMAW-HXUWFJFHSA-N 389.904 3.843 50 1 GHGF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1CCCl 587686372 UOZQGZUFLQYTQK-JDNHERCYSA-N 386.696 3.956 50 1 GHGF CC1=C(c2ccc3nc([C@@H](Br)C(C)(C)F)[nH]c3c2)NNC(=O)C1 587086914 IUHJQFPJLOHLRB-CQSZACIVSA-N 381.249 3.503 50 1 GHGF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)[C@H](C)Cl)c1)[C@@H](C2)C3=O 587417572 NZIGOXHWYMAUTG-VQDICGIKSA-N 385.847 3.924 50 1 GHGF COC1=COC(CCl)=C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587542400 IZQRMNHGEALIBT-XLIONFOSSA-N 386.787 3.733 50 1 GHGF C/C=C/[C@@H]1C[C@H]([C@@H]2C[C@@H]([C@@H](CCCCCCCC(=O)OC)OO)OO2)OO1 231929755 WBDZRMWZSZDXFJ-GVPRFZNPSA-N 388.457 3.503 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@H]1CCCN1C(=O)OC(C)(C)C)O2 587372023 JBCNMHUDQZKJQG-OXQOHEQNSA-N 394.899 3.920 50 1 GHGF C[C@@H]1CC[C@H]2[C@H](Cc3ccc(F)cc3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 103198829 OQXPJIZTHBMCMQ-UOVNHBKUSA-N 376.424 3.757 50 1 GHGF C[C@]1(C(=O)CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321248 IMPPCUKEFUZWAY-FUHWJXTLSA-N 393.208 3.613 50 1 GHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(NC(N)=O)cc1)CC2=O 587460446 MQOOVOBRRPZTKM-HXUWFJFHSA-N 388.851 3.935 50 1 GHGF CN(O)C(=O)[C@H](Br)[C@H](Br)c1ccc2ccccc2c1 28097065 IOSACDLXWXUKTL-CHWSQXEVSA-N 387.071 3.887 50 1 GHGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(F)cc1 95808495 CHTKDDHSSXSVSV-HZHRSRAPSA-N 385.439 3.961 50 1 GHGF C#C/C=C\C[C@@H]1O[C@@H]([C@@H](Br)CC)C[C@@H]2O[C@H]1C[C@@H]2Br 169652448 FVHHRUHDUJVLNL-UKHVYIHUSA-N 392.131 3.818 50 1 GHGF CCCN1C(=O)/C(=N/NC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc21 261185714 XIPBEEJSVKYMSR-PTGBLXJZSA-N 390.270 3.813 50 1 GHGF Cc1cc(C)c2ccc(C(=O)N(C)CCSSCCN(C)C)nc2c1O 618010087 PNGQQOCVHQGPNI-UHFFFAOYSA-N 393.578 3.572 50 1 GHGF CCN(CC)c1ccc([C@@]2(C(F)(F)F)N=C3C=CC=CN3C(N)=C2C#N)cc1 621477579 CVGJBDFNXARCDB-LJQANCHMSA-N 387.409 3.782 50 1 GHGF Clc1ncc(I)c2nc(/C=C/CBr)[nH]c12 586974228 SXUCLIPCEXFGGI-OWOJBTEDSA-N 398.429 3.624 50 1 GHGF CN1CCc2c(Br)cccc2[C@]1(C)[C@H](Cl)C(=O)C(F)(F)F 963289664 QCEAFBLDGFMSOI-DGCLKSJQSA-N 384.623 3.891 50 1 GHGF C[C@@H](C(=O)NNC(=O)NCc1ccccc1)c1cccc(Cc2ccccc2)c1 84597033 LVHDEPCBAGOACQ-GOSISDBHSA-N 387.483 3.912 50 1 GHGF CCCc1ccccc1OS(=O)(=O)c1ccc(NC(=O)NCCCl)cc1 95553281 OFZJKDCNUCFBBN-UHFFFAOYSA-N 396.896 3.767 50 1 GHGF COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)[C@H](C)Cl)cc1)[C@@H](C2)C3=O 587419789 ZOTHYRPGQKXDSK-SBOBAANCSA-N 385.847 3.924 50 1 GHGF O=C1OC(=O)c2cc(NS(=O)(=O)/C=C/c3ccccc3)cc3cccc1c23 95585130 SMYBPPBIOQBGQO-MDZDMXLPSA-N 379.393 3.563 50 1 GHGF C=C1C(=O)O[C@H]2/C=C(/C)CC[C@H](OC(C)=O)[C@@]3(C)CC[C@H](OO3)/C(C)=C\C[C@@H]12 169290768 DCNHEHMOEMETOF-ZAZZOFPGSA-N 390.476 3.962 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C(F)F)N1 587719205 KQSLHTQPFBVRLZ-INWYIAFRSA-N 387.037 3.978 50 1 GHGF COc1ccc([C@@]2(CBr)c3c(F)cccc3C[C@H]3CCCN32)cn1 963102987 UACVVCMGVGJCSF-BEFAXECRSA-N 391.284 3.888 50 1 GHGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@@H]2C[C@H](Br)[C@@H](Br)CC 2356398016 SVJJUIWBRNYBIG-VMCMIOBHSA-N 392.131 3.818 50 1 GHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CN(C)C(=O)N4)[C@@H](C2)C3=O 587423164 SXSAJRKXKYXFNP-BTYIYWSLSA-N 398.846 3.554 50 1 GHGF C#CC=CC[C@@H]1O[C@H]2C[C@H](Br)[C@@H](CC)O[C@H]1C[C@@H]2Br 2356510688 INTLAWPKZQSZHS-LOVFCKMRSA-N 392.131 3.818 50 1 GHGF O=C(CNc1cccc(Oc2ccc(F)cc2F)c1)N/N=C/c1ccncc1 43105316 SITGAFUOGTVUJV-BRJLIKDPSA-N 382.370 3.714 50 1 GHGF COc1ccc([C@@H]2O[C@]34C[C@@H](c5ccc(F)cc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96933699 PTIBNQYKLMYBAS-MPJJRAAHSA-N 398.386 3.937 50 1 GHGF NNC(=O)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 587162413 ARVXUSJXLFARHK-GDNBJRDFSA-N 378.432 3.956 50 1 GHGF C=C1C(=O)O[C@@H]2C=C(C)CC[C@H](OC(C)=O)[C@@]3(C)CC[C@@H](OO3)C(C)=CC[C@@H]12 2356588698 DCNHEHMOEMETOF-GXQSQTKBSA-N 390.476 3.962 50 1 GHGF C[C@@H](NC(=O)C(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1)c1ccccc1 147595437 RQZKCSKAZWNPOK-UBYXTUIOSA-N 382.485 3.653 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@H]1CCCN1C(=O)OC(C)(C)C)O2 587372027 JBCNMHUDQZKJQG-UZLBHIALSA-N 394.899 3.920 50 1 GHGF N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)CCC2)[C@@H]1c1ccccc1F 2500558 XROKJNKCNMXYRO-HXUWFJFHSA-N 384.414 3.891 50 3 GHGF COc1ccc(CN2C(=O)CCC/C=C/[C@H]2CI)cc1 31905802 QXKNMNZHLSNGGS-KQIUPUNMSA-N 385.245 3.568 50 1 GHGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586973046 FGRAZQBPHZGSNC-SNVBAGLBSA-N 395.278 3.856 50 1 GHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(F)cc(F)c2[nH]1 587009761 REMFJFRXPJIJQP-INIZCTEOSA-N 388.805 3.961 50 1 GHGF CC(C)(C)[C@@]1(CBr)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962968603 CWJOMPRMJXEKRI-BONVTDFDSA-N 396.659 3.853 50 1 GHGF O=[N+]([O-])c1ccc([C@@H]2CCN[P@@](=O)(N(CCCl)CCCl)O2)cc1 44018553 GWAYXBYKOSDHRU-NPMABZOXSA-N 382.184 3.534 50 1 GHGF C[C@H](c1ccccc1)n1cncc1C(=O)N(C)CCSSCCN(C)C 618010352 UQFQKVFQDWPZGX-MRXNPFEDSA-N 392.594 3.507 50 1 GHGF O=C(CBr)NCCc1nc2c3ccccc3c3ccccc3c2[nH]1 586971647 VETFTDOQFIYNNQ-UHFFFAOYSA-N 382.261 3.923 50 1 GHGF O=C(N/N=C/c1ccccc1O)/C(O)=C\C1=NC2(CCCC2)Cc2ccccc21 101884402 QOBLGNJPECBIEP-VIAAJXJMSA-N 389.455 3.642 50 1 GHGF CCOC(=O)/C(C#N)=C(/Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1ccccc1 103296101 BSRMWUGJATZJDM-HLAUDOPJSA-N 380.404 3.656 50 1 GHGF N#C/C(=C\c1ccccc1)S(=O)(=O)NCCc1ccc(OC(F)(F)F)cc1 618016937 CLWGULAOKMRTKF-SFQUDFHCSA-N 396.390 3.612 50 1 GHGF CC[C@@]12Oc3ccccc3[C@H](O)[N@]1[C@H]2P(=O)(c1ccccc1)c1ccccc1 1857620476 BVTMTWCOBRHBHG-NEWJYFPISA-N 391.407 3.832 50 1 GHGF C=C(C=O)[C@]1(O)C[C@]2(C)C(=CC1=O)C=C[C@H](OC(=O)C=CC=C[C@@H](C)CC)[C@@H]2C 2356539208 GIUVFWDLNFDKHT-LBNILFRASA-N 398.499 3.654 50 1 GHGF CCCn1nc(C(=O)NN)cc1-c1cn(Cc2ccc(F)cc2)c2ccccc12 73138409 PDVIOYQQRGTTIH-UHFFFAOYSA-N 391.450 3.706 50 1 GHGF Cc1nn(CCCl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541779 DKZSDDSZSGLPPR-FXAWDEMLSA-N 384.819 3.839 50 1 GHGF COc1ccc(Cl)cc1C#Cc1cccc(S(=O)(=O)NCCCCl)c1 587918447 RUXCGEDJDQHLSH-UHFFFAOYSA-N 398.311 3.656 50 1 GHGF CCOc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1CCl 963511857 VLRXNOLJYKUUHT-LAUBAEHRSA-N 389.879 3.701 50 1 GHGF CC(=O)NCCc1ccc([C@@]2(CCl)NCCc3cc(Cl)ccc32)s1 963391657 WEMSKHCYGBHPMS-SFHVURJKSA-N 383.344 3.708 50 1 GHGF CC1=NC(C)=C(C#N)[C@H](c2ccc3[nH]nc(OCCOC(C)C)c3c2)[C@H]1C#N 169694595 PDPVWAYJDRKXJH-FXAWDEMLSA-N 377.448 3.862 50 1 GHGF COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)[C@@H](C)Cl)c1)[C@@H](C2)C3=O 587417569 NZIGOXHWYMAUTG-BSPLBBPOSA-N 385.847 3.924 50 1 GHGF Cc1sc2c(c1C)CCN[C@@]2(CCl)c1ccc2c(c1)NC(=O)[C@@H](C)O2 963010147 MBRZASNKECAVBF-WYRIXSBYSA-N 376.909 3.712 50 1 GHGF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@H](Cl)[C@@]2(O)C1 2356729716 DNJABCBTMIQRHM-ZUDDVDLJSA-N 382.928 3.862 50 1 GHGF COc1cc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)ccc1C#N 68152819 RWAFMDRFIDDASN-FSJBWODESA-N 390.468 3.666 50 1 GHGF Cc1ccc(/C=C2\CN(C)C[C@H]3C(c4ccc(C)cc4)=C(C#N)C(=O)N[C@H]23)cc1 73403840 CTVVSFYHMWPGST-RMMTWQCYSA-N 383.495 3.724 50 1 GHGF COc1ccc(-c2c3c(cc4cc5c(cc24)OCO5)C(=O)OC3=O)cc1OC 85930404 NIHCBAIHCWMIAG-UHFFFAOYSA-N 378.336 3.563 50 1 GHGF C=C1C[C@H]2O[C@@H]3[C@H]4[C@H](C[C@@H](C)[C@@H](OC(C)=O)[C@H]42)[C@@H](C)CO[C@@]3(C)CC[C@H]1OO 195333711 NHDWDZVEJGRIDB-WGBUYDCDSA-N 394.508 3.597 50 1 GHGF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(C(=O)NN)cc2[nH]1 587246620 DKHKINHGJWEAOR-UHFFFAOYSA-N 387.443 3.581 50 1 GHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C#N)cc1)[C@@H](C2)C3=O 587411603 FLWLYAPRAODAQV-KXBFYZLASA-N 384.229 3.605 50 1 GHGF CC(C)OC(=O)C[C@@]1(CCl)c2ccsc2CCN1Cc1cccnc1 962996337 JCKHHFSFYPAIEH-LJQANCHMSA-N 378.925 3.977 50 1 GHGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C(=O)NN)cc1 587859804 JEUICMNQQNCJBC-UHFFFAOYSA-N 391.258 3.848 50 1 GHGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccccc1O 95808875 ORWSSZFVXCWZCK-PXLXIMEGSA-N 383.448 3.527 50 1 GHGF CC[C@@H](Br)[C@@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414479 MKPYMRNQTUQMDK-MUKKUYKPSA-N 388.261 3.907 50 1 GHGF Cc1c(C(=O)N/N=C\c2cccc(Br)c2O)oc2cccc(O)c12 1911572856 YBLFSKJYQRLSAY-UWVJOHFNSA-N 389.205 3.679 50 1 GHGF CC(C)(C)c1ccc(-c2noc(C(=O)NNC(=O)Nc3ccccc3)n2)cc1 40401404 WCQQMESKHRYYGL-UHFFFAOYSA-N 379.420 3.501 50 1 GHGF CC(=C(C#N)C(=O)NN)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1857584409 JQBZYVHGLOIKIX-ITNBPTSOSA-N 397.563 3.756 50 1 GHGF COc1cc(Br)cc2c1OC(N)=C(C#N)[C@@H]2CC(=O)c1ccccc1 1857770833 WHUYDJLEDNUYMJ-CYBMUJFWSA-N 399.244 3.901 50 1 GHGF CC(C)(C)OC(=O)NN(CC1CCCC1)c1nc(C#N)ncc1Br 58568647 IHBGENVSQKWYJG-UHFFFAOYSA-N 396.289 3.547 50 1 GHGF C/C=C/[C@@H]1C[C@@H]([C@@H]2C[C@H]([C@@H](CCCCCCCC(=O)OC)OO)OO2)OO1 102183036 WBDZRMWZSZDXFJ-WPUIJHFFSA-N 388.457 3.503 50 1 GHGF Nc1cccc(C(=O)N/N=C2\c3cc(Cl)ccc3C(=O)[C@@H]3C=CC=C[C@H]23)c1 103194039 JKQVGXSXQYCQTC-HOIOSORBSA-N 377.831 3.611 50 1 GHGF CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cncc(-c2ccc(F)cc2)c1 664499 BARDBICTUIMGSH-LJQANCHMSA-N 379.391 3.532 50 3 GHGF C#CC=C[C@H](Cl)[C@H](O)[C@@H]1CC=C(Cl)C[C@@H](Br)[C@H](CC)O1 2356542502 UHVDBXSAVVOELD-QTVXIADOSA-N 382.125 3.988 50 1 GHGF CC(=O)OC[C@H](CCC=C(C)C)[C@@H]1[C@H](O)CC(C)=CCC=C(C=O)[C@@H]1C=O 2356628335 PCTKTBCRVDSDBF-KJJMTIBFSA-N 376.493 3.570 50 1 GHGF COC(=O)[C@@]1(CCCCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587685113 NSVWECNOWMZLCB-VFZGTOFNSA-N 378.669 3.510 50 1 GHGF O=C(NNC(=O)c1csc(-c2cc(Cl)cc(Cl)c2)n1)c1ccccn1 1857761853 CFFUHLHLLJKCAP-UHFFFAOYSA-N 393.255 3.587 50 1 GHGF CC(C)(NC(=O)CCl)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587009585 MIVDRRBHKOCNCR-UHFFFAOYSA-N 398.610 3.934 50 1 GHGF C[C@]1(C(Cl)=CBr)O[C@@H]1C[C@@H](O)[C@@](C)(Br)CCl 2356442458 CXVSMEZMNLCDFI-DOLQZWNJSA-N 396.934 3.762 50 1 GHGF O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)NC1CC1 59373468 MTGHORRDEZKNST-UHFFFAOYSA-N 377.481 3.604 50 1 GHGF C#CC=CC[C@@H]1O[C@H]2C[C@H](Br)[C@@H](CC)O[C@H]1C[C@H]2Br 2356510690 INTLAWPKZQSZHS-RHTUOURWSA-N 392.131 3.818 50 1 GHGF O=C(O)c1ccc(Oc2ccc(C(=O)c3ccc4c(c3)C(=O)OC4=O)cc2)cc1 43676587 GLPGXVVJWHEZCO-UHFFFAOYSA-N 388.331 3.719 50 1 GHGF CCCc1ccc(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)cc1 473172459 WVMFNPVVLORTTQ-UHFFFAOYSA-N 396.896 3.767 50 1 GHGF Cc1nn(C)cc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587497448 CIKVGORASACBLF-LJQANCHMSA-N 389.293 3.863 50 1 GHGF CCc1ccc(N2C=C(C(=O)OC)[C@@H](c3ccc(OC)cc3)C(C#N)=C2N)cc1 95566657 YZEDKQBYMAVVMJ-NRFANRHFSA-N 389.455 3.612 50 3 GHGF C/C=C(\C#N)C(=O)N(C)CCN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 621485773 KVEBBTPMPKJILA-LNKIKWGQSA-N 385.851 3.600 50 1 GHGF COc1ccc(N/C=C2\C=C3C(=CC2=O)OC(N)=C(C#N)[C@H]3c2ccccc2)cc1 103761605 GURLTGSBDFSDED-INJZMFEXSA-N 397.434 3.892 50 3 GHGF CC(=O)Nc1ccccc1C(F)(F)C(=O)NNc1ccc(C(F)(F)F)cc1 1857613114 WZDLDILHDXWEKK-UHFFFAOYSA-N 387.308 3.899 50 1 GHGF O=C1[C@@H](Cl)[C@H](c2ccccc2Cl)N1/N=C/CCn1nnc2ccccc21 66258622 VAUUJXQGMDDIPU-LSKIEAMNSA-N 388.258 3.652 50 1 GHGF CCc1ccc(C(=O)NN(C(=O)c2ccc3c(c2)OCCO3)C(C)(C)C)cc1 103185761 HEBYOVWSLSPIDC-UHFFFAOYSA-N 382.460 3.606 50 1 GHGF O=C(NNC(=S)Nc1ccccc1Br)c1cccc(Cl)c1 66073787 SFTKTKJWXQLBPP-UHFFFAOYSA-N 384.686 3.734 50 1 GHGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@@H]1c1ccc(Cl)cc1 103175380 SLUNRMPWOFGFCK-ZFWWWQNUSA-N 394.645 3.841 50 1 GHGF CN(C)CCSSCCCNC(=O)Cc1c[nH]c2ccc(Cl)cc12 618017487 QQAVABKSTPBZKV-UHFFFAOYSA-N 385.986 3.813 50 1 GHGF CCOc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1CCl 963511858 VLRXNOLJYKUUHT-UWJYYQICSA-N 389.879 3.701 50 1 GHGF Cc1[nH]nc2c1[C@](c1cc(F)cc(-c3ccncc3)c1)(C(C)C)C(C#N)=C(N)O2 1772618005 VBNWKWMNDCERFF-QFIPXVFZSA-N 389.434 3.948 50 1 GHGF CS/C(Nc1ccccc1)=C(\C#N)c1nnc(NC(=O)c2ccccc2)o1 73225029 GIRQHSLCBUNTFM-OBGWFSINSA-N 377.429 3.989 50 1 GHGF CCOC(=O)/C(C#N)=C1\c2c([nH]c(=S)[nH]c2=O)Oc2ccc3ccccc3c21 102936240 MLRWTQDSHPWAQG-QINSGFPZSA-N 391.408 3.580 50 1 GHGF C#CC=CC[C@@H]1O[C@H]([C@@H](Br)CC)C[C@H]2O[C@H]1C[C@H]2Br 2356384332 FVHHRUHDUJVLNL-HGPDSQILSA-N 392.131 3.818 50 1 GHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Cl)[C@H](O)[C@@H](CBr)[C@@H](CC)O1 2356545031 MFEVKEHDTZDLJG-CTTWBBHYSA-N 384.141 3.720 50 1 GHGF C#CC=CC[C@@H]1O[C@@H]2C[C@H](Br)[C@H](CC)O[C@H]2C[C@H]1Br 2356740515 ONEBNODSYJNGPV-JLZCTACVSA-N 392.131 3.818 50 1 GHGF C[C@@H]1C(=O)C[C@@H](c2ccc(F)cc2)N(C(=O)CCl)[C@H]1c1ccc(O)cc1 221744964 YOXMBNFTVZOABI-GIJMVEMTSA-N 375.827 3.990 50 1 GHGF COC(=O)c1ccc2[nH]cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)c2c1 587370747 BLSYJTPNJXGDLH-OAQYLSRUSA-N 398.846 3.945 50 1 GHGF Oc1nc(O)c2ccc([C@@H](Br)Cc3cccc(Cl)c3F)nc2n1 587368420 PEJGFLAQHCNERQ-VIFPVBQESA-N 398.619 3.907 50 1 GHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)cc(O)n4C)[C@@H](C2)C3=O 587421362 LFLVVNANFAPFQC-BTYIYWSLSA-N 383.831 3.774 50 1 GHGF CC(=O)O[C@@H]1CC(C=O)=C[C@H]([C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]23CO3)O1 2356425539 HHGQMCDTIFTDJV-VWEWRVINSA-N 376.493 3.801 50 1 GHGF CCOC(=O)[C@H](Cl)[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545588 RTDZFSKUZDKECA-BPAFIMBUSA-N 390.819 3.673 50 1 GHGF Cc1cc2c(cc1O)[C@@](c1c[nH]c3ccccc13)([C@H](C)Cl)N[C@H](C(=O)O)C2 963490610 LECYRVPKUBUDAP-JPHFQCMKSA-N 384.863 3.652 50 1 GHGF O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1c(Cl)cncc1Cl 201289675 WAUCQSJOKJVFBL-MUDSWDHVSA-N 391.180 3.969 50 1 GHGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(CNC(C)=O)o1)CC2=O 587461637 RVXWMPWMEQOGAL-FQEVSTJZSA-N 391.851 3.673 50 1 GHGF CCOC(=O)CC[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687759 HTSQKLRRTIMZGR-QLJPJBMISA-N 392.696 3.900 50 1 GHGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](CCCl)(c2cccc(F)c2)N1 963228692 SXKSUIOHKAROPC-TZIWHRDSSA-N 384.838 3.845 50 1 GHGF CC(=O)OC[C@H](CCC=C(C)C)[C@H]1[C@H](C=O)C(C=O)=CCC=C(C)C[C@H]1O 2356628333 PCTKTBCRVDSDBF-CBPXPLCBSA-N 376.493 3.570 50 1 GHGF O=C(C1=CN(Cc2ccc([N+](=O)[O-])cc2)C=CC1)N(CCCl)CCCl 103164127 HYSIZEVUWDILHV-UHFFFAOYSA-N 384.263 3.504 50 1 GHGF COC1=COC(CCl)=C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587542392 IZQRMNHGEALIBT-FXAWDEMLSA-N 386.787 3.733 50 1 GHGF O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)nc1 299828899 JMZBTZXSVLHCDM-UHFFFAOYSA-N 399.406 3.789 50 1 GHGF CC(=O)NCCc1ccc([C@]2(CCl)NCCc3cc(Cl)ccc32)s1 963391656 WEMSKHCYGBHPMS-GOSISDBHSA-N 383.344 3.708 50 1 GHGF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#CCCCl)[C@@H]3CC[C@@H]12 26002647 OSAGKXBELTUPHH-CHCWYRICSA-N 389.967 3.989 50 1 GHGF C[C@]1(C(Cl)=CBr)O[C@H]([C@@](C)(Br)CCl)C[C@H]1O 2356590340 KUMNGEFTSKDDEM-XFWSIPNHSA-N 396.934 3.762 50 1 GHGF COC(=O)CC[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326291 KCMVADNCSHSHKL-UYAOXDASSA-N 392.810 3.821 50 1 GHGF Cc1c(N2C(=O)[C@H](Cl)[C@H]2/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C 6041463 SBQGZHQEWIAIDO-WKWPXIAWSA-N 393.874 3.520 50 1 GHGF CCCCN(CCCC)c1ccc(/C=N/NC(=O)CCCCC(=O)NO)cc1 95808615 AWUQHTDJUPELIU-OQKWZONESA-N 390.528 3.609 50 1 GHGF CC(C)Oc1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1 201289279 GLENRVGCNWEIPL-QPJQQBGISA-N 381.263 3.738 50 1 GHGF Br[C@H](Cn1ncc2c(N3CCCCC3)ncnc21)c1ccccc1 13682966 QCCVUMFCZCZIBN-MRXNPFEDSA-N 386.297 3.953 50 1 GHGF COc1ccc(/C=N/NC(=O)CCn2cc(C)c3c(C)cccc32)cc1OC 115598148 QNPFDHAWUGLFPV-YDZHTSKRSA-N 379.460 3.816 50 1 GHGF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCBr)cc1)[C@@H](C2)C3=O 587412925 KJDTXSTXVCZHPA-KXBFYZLASA-N 389.245 3.958 50 1 GHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([C@@H](O)CCl)c1 587881770 ARXLZSDHGSRBHC-SFHVURJKSA-N 396.701 3.976 50 1 GHGF CN(C)CCSSCCNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 618009346 VWDIVQRGNVTQOQ-UHFFFAOYSA-N 399.582 3.706 50 1 GHGF CCCC[C@H](C)[C@H](O)C=C[C@@H]1[C@H](O)C[C@H]2OC(=C(C#N)CCCC(=O)O)C[C@H]12 2356343288 OJIGXQJDLFUVFM-ASBONYKVSA-N 391.508 3.548 50 1 GHGF N#CC(C#N)=C1Nc2ccccc2N=C1[n+]1cccc(/N=C(\O)c2ccccc2)c1 100485852 XNQOGZQRMDTXGF-UHFFFAOYSA-O 391.414 3.915 50 3 GHGF COc1ccc(C(=O)NNc2nc3ccccc3nc2Cc2ccccc2)cc1 299857280 FEBPELUCZLYFFZ-UHFFFAOYSA-N 384.439 3.986 50 1 GHGF C#C/C=C\C/C=C1/O[C@H]2C[C@H]([C@H](Br)CC)O[C@H]2[C@@H]1Br 59725744 ZAKKSVIAKVSQCR-ZWVAYRALSA-N 390.115 3.943 50 1 GHGF CN(O)C(=O)[C@@H](Br)[C@@H](Br)c1ccc2ccccc2c1 28097047 IOSACDLXWXUKTL-STQMWFEESA-N 387.071 3.887 50 1 GHGF O=Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 587545968 UKVWXKOKTGYEDU-XLIONFOSSA-N 383.787 3.629 50 1 GHGF C#C/C=C\[C@H](Cl)[C@@H](O)[C@H]1CC=C(Cl)C[C@H](Br)[C@@H](CC)O1 140478581 UHVDBXSAVVOELD-AYDZACOGSA-N 382.125 3.988 50 1 GHGF O=c1c2cc([N+](=O)[O-])ccc2n(CCCBr)n1Cc1ccccc1 653722494 XUQJJPBXMIKCQX-UHFFFAOYSA-N 390.237 3.545 50 1 GHGF C[C@@]1(/C(Cl)=C/Br)O[C@@H]([C@@](C)(Br)CCl)C[C@@H]1O 34608864 KUMNGEFTSKDDEM-BBTUGCGASA-N 396.934 3.762 50 1 GHGF O=C1c2ccccc2C(=O)N1Cc1c(CBr)[nH]c2cc(F)ccc12 587632003 ABLUXJZFTYDMTI-UHFFFAOYSA-N 387.208 3.998 50 1 GHGF CCOC(=O)[C@H](Cl)[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587688649 MUKULXALPYASRF-AUYAEMIRSA-N 392.696 3.898 50 1 GHGF COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](Cc2ccccc2)C3)cc1 64540610 FWEKLAWMNUJWMB-ZHRRBRCNSA-N 386.451 3.979 50 1 GHGF C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cc2ccccc2n1C 95558173 VAEKLLSIEDZGMM-RGVLZGJSSA-N 386.249 3.800 50 1 GHGF C[C@@H]1CC[C@H]2[C@@H](Cc3ccc(F)cc3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 103200327 OQXPJIZTHBMCMQ-UPGBMAIKSA-N 376.424 3.757 50 1 GHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)C1CC1 587537603 INRDYACMYNSQRW-QAPCUYQASA-N 375.218 3.898 50 1 GHGF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1CCCl 587685202 OIJCNESEPQWJJO-ABKXIKBNSA-N 386.696 3.956 50 1 GHGF C=C(C(=O)OC)[C@@H]1CC[C@]2(C)O[C@@H]2CC[C@](C)(OO)C=CC[C@@]2(C)O[C@H]2C1 2356659414 BFAFHXDINGOVQJ-KAERKCPTSA-N 380.481 3.806 50 1 GHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccccc1OC)[C@@H](C2)C3=O 587413356 HDVXKSCOFNDDGY-IFXJQAMLSA-N 389.245 3.742 50 1 GHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)C1CC1 587537601 INRDYACMYNSQRW-CRAIPNDOSA-N 375.218 3.898 50 1 GHGF C=C(C=O)[C@]1(O)C[C@]2(C)C(=CC1=O)C=C[C@H](OC(=O)C=CC=C[C@H](C)CC)[C@H]2C 2356539210 GIUVFWDLNFDKHT-WPMJTCRNSA-N 398.499 3.654 50 1 GHGF O=C(N/N=C/c1cc(Br)ccc1O)c1cccc(OC(F)F)c1 1857547302 UIBGDBWROIDQCD-UFWORHAWSA-N 385.164 3.520 50 1 GHGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2Br 2356743124 DPWYAIMGBFGBCG-RODWMJHOSA-N 392.131 3.818 50 1 GHGF O=C(CBr)NCCc1csc2ccc(Br)cc12 80905833 QZPVBPCYNGCFCF-UHFFFAOYSA-N 377.101 3.717 50 1 GHGF C#C/C=C\C[C@H]1O[C@@H]2C[C@H]1O[C@@H]([C@@H](Br)CC)C[C@H]2Br 238768338 ZZAINMHCOZIURO-FPZONJSYSA-N 392.131 3.818 50 1 GHGF Oc1nc(O)c2ccc([C@H](Br)Cc3cccc(Cl)c3F)nc2n1 587368419 PEJGFLAQHCNERQ-SECBINFHSA-N 398.619 3.907 50 1 GHGF COc1cc2c(cc1CC=C(C)C)/C(=N/NC(N)=O)C[C@@H](c1ccc(O)cc1)O2 1857759167 PPYILGGZCVSPTA-AYBPGSHHSA-N 395.459 3.806 50 1 GHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C#N)s1)[C@@H](C2)C3=O 587453810 UGDNJLGWJWHZFN-YVEFUNNKSA-N 390.258 3.666 50 1 GHGF COc1cc(C(=CC#N)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 38496264 FRUSWTFAJIAFQZ-UHFFFAOYSA-N 385.416 3.693 50 1 GHGF CC(C)(C)[C@H](Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1 103278963 SKSLKYATTRQGJA-SCSAIBSYSA-N 396.179 3.940 50 1 GHGF CC(=O)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321233 ILWBNRGCDFSURD-WMZOPIPTSA-N 393.208 3.613 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C\N(C)C)N1 587688607 MMCJMOFADZDMMM-WWOLQYOBSA-N 386.696 3.526 50 1 GHGF COc1ccc2c(c1OC)[C@@](CBr)(c1cncs1)N(C)[C@@H](C)C2 962633988 PQMXEUUEITXAQK-APPDUMDISA-N 397.338 3.675 50 1 GHGF O=C(CCl)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc(F)cc(F)c1 43071004 QGPYDVYBXCUEJH-UHFFFAOYSA-N 395.214 3.596 50 1 GHGF CCOC(=O)[C@H](Cl)[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587688652 MUKULXALPYASRF-WKFLNTIRSA-N 392.696 3.898 50 1 GHGF C#C/C=C/C[C@H]1O[C@@H]([C@H]2C[C@H](Br)[C@@H](CC)O2)C[C@@H]1Br 139915702 SKSTYQSRJPCZSW-QWPMPZSWSA-N 392.131 3.818 50 1 GHGF C#C/C=C/C[C@H]1O[C@H]([C@@H](Br)CC)C[C@@H](Br)[C@@H]2C[C@H]1O2 195516875 QVSXXUNREJZJAN-XERRKHCKSA-N 392.131 3.818 50 1 GHGF C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CC[C@H](OC(=O)/C(C)=C\C)C(=C)[C@]2(OO)C1 238746212 UOVOQTMUTPAZMZ-PLLDLKJOSA-N 378.465 3.978 50 1 GHGF O=[P@]1(N(CCCl)CCCl)N[C@H](OO)C[C@@H](c2ccc(F)cc2)O1 14263416 AYBVVIKCDCRTOX-WDVBMNPBSA-N 387.175 3.580 50 1 GHGF CCN1C(=O)CS/C1=N\NC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 103200109 OSVIUHYPLNGSBG-OHFHMPSPSA-N 385.464 3.579 50 1 GHGF COc1ccc(/C=N/NC(=O)CCc2cn(C)c3c(C)cccc23)cc1OC 115595915 IBUBHZAJJMFVJK-YDZHTSKRSA-N 379.460 3.587 50 1 GHGF O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 253898107 QJLBOUDSUVHNPR-BWDACYHCSA-N 385.464 3.789 50 1 GHGF CC1=CCC[C@@]2(C)O[C@@H]([C@H](C)CCC1)[C@@H]1OC(=O)[C@]3(OO)CCO[C@H]2C[C@@H]13 2356828576 IIEYUXOIXOZQQX-AQGMFGJKSA-N 380.481 3.639 50 1 GHGF COc1ccc(/C=C(\C#N)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 40822917 JFASXJLVUQEMML-OVCLIPMQSA-N 383.400 3.519 50 1 GHGF CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(CNC(C)=O)o1)CC2=O 587461644 RVXWMPWMEQOGAL-HXUWFJFHSA-N 391.851 3.673 50 1 GHGF O=C(O)c1cccc2c(N3C(=O)c4ccccc4C3=O)c(CBr)[nH]c12 587636777 IIFRMGCUAOKNDY-UHFFFAOYSA-N 399.200 3.562 50 1 GHGF COc1cc2c3c(c1)O[C@@](CBr)(c1c[nH]c4ncccc14)[C@@H](C2)C3=O 587411579 DXRKFDLPXDQVAF-ORAYPTAESA-N 399.244 3.609 50 1 GHGF CCOC(=O)C[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325666 GMOCMTOMSWFWDJ-AZUAARDMSA-N 392.810 3.821 50 1 GHGF COc1cccc(C(=O)C[C@@H]2C(C#N)=C(N)Oc3ccc(Br)cc32)c1 1857766499 XVJMYUVVURVVCI-AWEZNQCLSA-N 399.244 3.901 50 1 GHGF COC1=C/C(=C/NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)C=CC1=O 13119331 VDUOQROYOJPLHY-FOCLMDBBSA-N 397.434 3.689 50 3 GHGF O=C1OC(=O)C2=C1[C@@H](c1cccs1)C=C(c1cccnc1)N2c1ccncc1 73355801 LROWRALVPVZZDK-OAHLLOKOSA-N 387.420 3.521 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C(F)F)N1 587719211 KQSLHTQPFBVRLZ-SREIQFSDSA-N 387.037 3.978 50 1 GHGF Cc1ccc(/C=C(/C#N)c2nc3cc(I)cnc3[nH]2)cc1 587187144 CYRYIYNZNHCSNG-SDQBBNPISA-N 386.196 3.935 50 1 GHGF C[N+]1(CCOc2ccccc2/C=C(\C#N)c2noc3ccccc23)CCOCC1 42963801 OPSYLCOYHSXHJY-KNTRCKAVSA-N 390.463 3.748 50 1 GHGF C#CCn1c(-c2ccc(C(=O)N/N=C/c3cccc(O)c3)cc2)nc2ccccc21 1772601303 OLAKLEITUDBHQI-PCLIKHOPSA-N 394.434 3.806 50 1 GHGF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@H](O)CBr)[C@@H]1CCC2=O 13822015 XCYXYAOVXGECBM-BRMIGGSTSA-N 395.337 3.823 50 1 GHGF N[P@@](=O)(Oc1c(F)c(F)c(F)c(F)c1F)N(CCCl)CCCl 1564181 SBNOQRYKHZVHPI-JOCHJYFZSA-N 387.072 3.607 50 1 GHGF COc1ccc([C@H]2[C@H]3COC(=O)[C@H]3C(C#N)=C3Sc4ccccc4N32)cc1 5581812 GNSGVAYFCWBUMG-SNRMKQJTSA-N 376.437 3.887 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(C(C)(C)Br)O2 587371825 GHZJZVBEJUWDHK-AWEZNQCLSA-N 391.103 3.850 50 1 GHGF O=C(CN(Cc1ccccc1)C(=O)CCl)c1cccc(Br)c1 36384224 LYIMFYHQZRWLHD-UHFFFAOYSA-N 380.669 3.899 50 3 GHGF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)([C@H](C)Br)CC2=O 587451252 JMMRVKYDSDWVBB-VOJFVSQTSA-N 399.281 3.785 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c[nH]c(C=O)c2)N1 587685282 PGFUKJVWRNQPIA-ABKXIKBNSA-N 385.664 3.745 50 1 GHGF CCOC(=O)C[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689161 QFUFSTYEUGAANC-VFZGTOFNSA-N 378.669 3.510 50 1 GHGF CC(C)c1nn(C)c2c1[C@](CBr)(c1ccc(F)cc1F)NCC2 962916625 CMTRZFBOXUGNPM-KRWDZBQOSA-N 384.268 3.606 50 1 GHGF CC(=O)[C@@]1(CCl)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963862559 BTDXKYOJTZPPAL-QRWLVFNGSA-N 395.883 3.655 50 1 GHGF C#C/C=C\C[C@@H]1O[C@@H]2C[C@@H](Br)[C@H](CC)O[C@@H]2C[C@@H]1Br 238742013 ONEBNODSYJNGPV-PBKUKDDRSA-N 392.131 3.818 50 1 GHGF C[C@]1(C(=O)CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321253 IMPPCUKEFUZWAY-SJLPKXTDSA-N 393.208 3.613 50 1 GHGF COc1cc2c3c(c1)O[C@](c1ccc(NC(C)=O)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587418622 UMUKCGJUKLTFSF-LIHBSQQNSA-N 385.847 3.924 50 1 GHGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 586973242 GYQCMRAYAIHKOQ-NSHDSACASA-N 383.253 3.585 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)CCl)c[nH]2)N1 587683343 GOJVYBOJQZWKFB-VPTHRUTESA-N 385.664 3.961 50 1 GHGF CC(/C=N/Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccc(C(F)(F)F)cc1 1857653296 ULWDAKFOVDWSKV-OIEABDAFSA-N 393.325 3.817 50 1 GHGF C#C/C=C/C[C@@H]1O[C@H]2C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2Br 145358953 DPWYAIMGBFGBCG-KZZJSKRPSA-N 392.131 3.818 50 1 GHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccccc1OC)[C@@H](C2)C3=O 587413357 HDVXKSCOFNDDGY-LIRRHRJNSA-N 389.245 3.742 50 1 GHGF CCOC(=O)CC[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689268 RJPLCDHMNYHSGD-HWPZZCPQSA-N 392.696 3.900 50 1 GHGF COC(=O)CC[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587690169 ZTQIJTQHKHXNHB-VFZGTOFNSA-N 378.669 3.510 50 1 GHGF CC(C)[C@@H]1CC=C[C@@H]2[C@@H]3[C@](C)(O)C(=O)C[C@H](O)[C@]3(C)CC[C@]12CBr 2356535159 ZKYQFPARPNOWGE-ZONMUQKMSA-N 399.369 3.717 50 1 GHGF C#C/C=C/C[C@@H]1O[C@H]([C@@H]2C[C@@H](Br)[C@H](CC)O2)C[C@H]1Br 238745872 SKSTYQSRJPCZSW-AYGMGXNESA-N 392.131 3.818 50 1 GHGF CCOc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1CCl 962904076 NESBMSRTLMWUFT-JXFKEZNVSA-N 377.843 3.826 50 1 GHGF CSC(=S)O[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2OC(C)(C)O[C@H]21 254075387 FPMWPZCUVFMELL-RNJOBUHISA-N 394.631 3.918 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOC[C@@H]2Br)N1 587679888 HMHIESRBUSKPJY-YKHWKNEFSA-N 393.094 3.502 50 1 GHGF CCCC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C(/C#N)CCCC(=O)O)C[C@@H]21 3925617 OJIGXQJDLFUVFM-DODNKPQYSA-N 391.508 3.548 50 1 GHGF in-man C=C1C[C@@H](O)[C@@H](Br)C(C)(C)[C@@]12C=C[C@@](O)(CBr)CC2 6041525 SGUDETSEOVUZCJ-RJZRQDKASA-N 394.147 3.559 50 1 GHGF COc1cc2c3c(c1)O[C@@](/C(C#N)=C\N(C)C)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587417978 GAFZWWGGPJLRTG-ZHMCXKIESA-N 394.858 3.961 50 1 GHGF Cc1cc2c(cc1O)[C@](c1c[nH]c3ccccc13)([C@@H](C)Cl)N[C@H](C(=O)O)C2 963490611 LECYRVPKUBUDAP-NWXLUKJOSA-N 384.863 3.652 50 1 GHGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)C[C@H]2O[C@H]1C[C@@H]2Br 2356384328 FVHHRUHDUJVLNL-DBWOOVFOSA-N 392.131 3.818 50 1 GHGF N#C/C(=C\c1ccc(OCCCN2CCOCC2)cc1)c1noc2ccccc12 40554412 OGYMDTWHBOPJPM-KNTRCKAVSA-N 389.455 3.993 50 1 GHGF Cc1ccc(/C=C(\C#N)c2nc3cc(I)cnc3[nH]2)cc1 587187145 CYRYIYNZNHCSNG-WUXMJOGZSA-N 386.196 3.935 50 1 GHGF Cc1nonc1[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587497386 CFNMPDVMCZPDBM-QGZVFWFLSA-N 377.238 3.512 50 1 GHGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@]2(CCCCC[C@@H]2Cl)N1 962625257 BXTBJSPXEWAVPG-OFQRWUPVSA-N 377.790 3.951 50 1 GHGF CO[C@@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(=O)O 43079226 JDVHKIOLKPCZJJ-CVEARBPZSA-N 383.535 3.981 50 1 GHGF COC(=O)[C@@]1(CCCCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326418 LIKNGEQXBHIEKI-XLIONFOSSA-N 392.810 3.821 50 1 GHGF O=C(NN=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 2356870017 MXXCDFLGSSSMHV-UHFFFAOYSA-N 390.355 3.685 50 1 GHGF CCOC(=O)/C=C/C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103105441 CYWVYZIJGDLPFE-RTQAZYOOSA-N 380.481 3.746 50 1 GHGF CC(=O)OCC1=C(C(F)(F)F)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 103186122 SEYCHCRTIVFHQN-FKCBHGQCSA-N 392.370 3.612 50 1 GHGF Cc1cc(C)cc(Sc2c(C(=O)NNCCO)[nH]c3ccc(Cl)cc23)c1 35001635 AZOIBRIJTNNWEL-UHFFFAOYSA-N 389.908 3.816 50 1 GHGF CN1CCN(CCOc2ccccc2/C=C(\C#N)c2noc3ccccc23)CC1 40554390 BTQSYCYIPLNMFR-KNTRCKAVSA-N 388.471 3.518 50 1 GHGF N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1N=C=O 587881367 WDMJBSFEWBXTQV-UHFFFAOYSA-N 384.222 3.543 50 1 GHGF COc1cc2c3c(c1)O[C@](CBr)([C@@H]1Cc4ccccc41)[C@@H](C2)C3=O 587413305 MOTMZLZNRJHGBV-GQIGUUNPSA-N 385.257 3.916 50 1 GHGF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)([C@H](C)Br)CC2=O 587451251 JMMRVKYDSDWVBB-BBATYDOGSA-N 399.281 3.785 50 1 GHGF CCOC(=O)C[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689488 TVSYQIREQDLRQN-RFAUZJTJSA-N 378.669 3.510 50 1 GHGF COc1ccc(F)cc1[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587384643 GUWKABPPCZGIBU-GOSISDBHSA-N 394.240 3.981 50 1 GHGF CC(=O)OC[C@H](CCC=C(C)C)[C@@H]1[C@@H](O)CC(C)=CCC=C(C=O)[C@H]1C=O 2356628336 PCTKTBCRVDSDBF-LRSLUSHPSA-N 376.493 3.570 50 1 GHGF N#C/C(C(=O)Nc1nc2ccccc2s1)=C1\SCC(=O)N1c1ccccc1 64516277 LBKSGGOJEPFPBF-QGOAFFKASA-N 392.465 3.750 50 1 GHGF Cc1ccccc1/N=N/C(=N/NC(=O)c1cc(O)c(O)c(O)c1)c1ccccc1 1772630337 SFZCORSCWYPOJY-MPCZAVSTSA-N 390.399 3.987 50 1 GHGF CC(/C=C(/O)c1ccc(Br)cc1)=N/NC(=O)c1ccc(O)cc1 102457977 GMFLAEJDOBSVIE-LXZKJKIUSA-N 375.222 3.860 50 1 GHGF C#C/C=C/C[C@H]1O[C@@H]([C@H](Br)CC)C[C@@H](Br)[C@@H]2C[C@H]1O2 195516876 QVSXXUNREJZJAN-BLCUMPPDSA-N 392.131 3.818 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c[nH]c(C=O)c2)N1 587687046 YOBAUICHUJFEEV-JDNHERCYSA-N 385.664 3.745 50 1 GHGF COc1ccc([C@]2(CBr)c3c(F)cccc3C[C@H]3CCCN32)cn1 963102989 UACVVCMGVGJCSF-DNVCBOLYSA-N 391.284 3.888 50 1 GHGF O=C(N/N=C/c1ccccn1)c1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1 1198878 ILXKTEYFYKTCDZ-YDZHTSKRSA-N 385.383 3.902 50 3 GHGF C[C@H]1Oc2c(F)cccc2[C@@H]2[C@@H]1C=C(C=O)[C@@H](C)[C@]21C(=O)Nc2ccccc21 1772630356 UFUCERNJELPSMR-NIFCQWLBSA-N 377.415 3.972 50 1 GHGF N#Cc1ccc2c(c1)C(=O)c1c-2n(CCCCl)c(=O)c2cc([N+](=O)[O-])ccc12 28711222 VJIWBTFNKPNLEQ-UHFFFAOYSA-N 393.786 3.622 50 1 GHGF CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@@H]2O[C@@H]1[C@H]1C(=O)OC(=O)[C@@H]21 102233706 WKGJKGLZMOYISD-WHDUIXCXSA-N 396.483 3.544 50 1 GHGF CCNCC1=C(C(F)(F)F)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 103183671 DKFOUHSJTJQJRU-DGUCZMLGSA-N 377.403 3.658 50 1 GHGF COC(=O)[C@@]1(C)CCC[C@@]2(C)c3cc(OC)ccc3C(=O)[C@H](Br)[C@H]12 17000590 VXNUYSOLTINORZ-CBVHJVASSA-N 395.293 3.892 50 1 GHGF Cc1cc(C)c(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)cc1C 473151219 OHWZGGABUFNPPO-UHFFFAOYSA-N 396.896 3.740 50 1 GHGF CCc1ccc2c(c1)[C@@]1(C(C=O)=CO2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962639402 WAPZRYKQPBGRKX-IZHWHUGBSA-N 393.483 3.861 50 1 GHGF CCC(=C(c1ccc(/C=C/C(=O)O)cc1)c1ccc(B(O)O)cc1)c1ccccc1 1857627670 BINZFDGAOTWQNC-DBJGKHSESA-N 398.267 3.833 50 1 GHGF Cc1ccc2occ(/C=N\NC(=O)c3ccccc3Br)c(=O)c2c1 15933676 KLCOAOOXTJJSMB-UKWGHVSLSA-N 385.217 3.628 50 1 GHGF CC(=O)O[C@@H]1CC(C=O)=C[C@H]([C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]23CO3)O1 2356425538 HHGQMCDTIFTDJV-RMLDPDKQSA-N 376.493 3.801 50 1 GHGF O=C(O)CCC/C=C\C[C@H]1[C@@H](/C=N/NC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 195287575 QJLBOUDSUVHNPR-LWWSVWFHSA-N 385.464 3.789 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(C(=O)O)cc1)O2 587376346 WUVQDYZHDSHGEA-GOSISDBHSA-N 390.233 3.531 50 1 GHGF CC(=O)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321231 ILWBNRGCDFSURD-SJLPKXTDSA-N 393.208 3.613 50 1 GHGF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2C[C@@H]2C2=C(COC2=O)[C@@H]1[C@@H](C)CC=CC(C)(C)OO 2356517736 SDGDVGLXQFITGK-GNKFGYDMSA-N 392.492 3.914 50 1 GHGF O=C(NNc1nc2ccccc2n2cccc12)Nc1ccc(Br)cn1 12354048 JMYCUZLCGKVQJT-UHFFFAOYSA-N 397.236 3.794 50 1 GHGF Fc1ccc([C@@H](Cl)Cn2ncc3c(NCc4ccccn4)ncnc32)cc1 71317529 DRIJFUAWMVHGOZ-KRWDZBQOSA-N 382.830 3.953 50 1 GHGF Nc1c(C(=O)N/N=C/c2ccc(Cl)cc2)oc2nc(C(F)(F)F)ccc12 653686935 VSETWMABWWUXQA-QPJQQBGISA-N 382.729 3.846 50 1 GHGF COc1cccc2c3c(cnc12)CCN[C@]3(C)[C@H](Cl)C(=O)Nc1ccccc1 963072270 YDDBLRSARWEMCE-IRLDBZIGSA-N 395.890 3.850 50 1 GHGF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@H](Br)CBr 587279011 DAVFLAACIBOZQW-SECBINFHSA-N 376.988 3.682 50 1 GHGF O=[N+]([O-])c1cc(Br)cc2nc(CCCCBr)[nH]c12 586972040 CNZNTAWMYNHFPH-UHFFFAOYSA-N 377.036 3.951 50 1 GHGF CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCl)(c1ccccc1)CC2=O 587460769 PDXQJCNVCIMVLK-NRFANRHFSA-N 387.863 3.560 50 1 GHGF CN1C(=O)C[C@@H]2CN[C@](CBr)(c3ccccc3F)c3cccc1c32 963018816 COTLDAJPRYULNR-CWTRNNRKSA-N 389.268 3.518 50 1 GHGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3ccccn3)sc2c1 1857599097 LQGXEIHMBCJTSP-CIAFOILYSA-N 382.493 3.689 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2CCOCC2)N1 587687300 ZSOWWXGRDXMJQY-HWPZZCPQSA-N 376.697 3.983 50 1 GHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3ccc(CN(C)C)[nH]3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49723278 CTABMWTVPZOREB-ISIOTJORSA-N 390.524 3.999 50 1 GHGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)C[C@H]2O[C@H]1C[C@H]2Br 2356384335 FVHHRUHDUJVLNL-YRKSKIDTSA-N 392.131 3.818 50 1 GHGF O=[N+]([O-])c1ccc([C@@H]2CCO[P@](=O)(N(CCCl)CCCl)O2)cc1 44032001 SQXCFVXTKBWXDG-ZAMGYDSWSA-N 383.168 3.961 50 1 GHGF O=C(NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccncc1 58487451 QHVMASOFJLJHLA-UHFFFAOYSA-N 398.430 3.511 50 1 GHGF CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@@H]2C1 169686882 FFGBLAHWAMEMLL-ZBFHGGJFSA-N 384.270 3.916 50 1 GHGF NNC(=O)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 587162414 ARVXUSJXLFARHK-XNTDXEJSSA-N 378.432 3.956 50 1 GHGF NC(=O)c1csc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531067 JEUXVAVXPAMKBG-IBGZPJMESA-N 375.877 3.825 50 1 GHGF CN(C)CCSSCCCNC(=O)c1cccc(OC(F)(F)F)c1 618009040 PYDBRGUCQKSSIJ-UHFFFAOYSA-N 382.473 3.648 50 1 GHGF CC(=O)NNC(=O)N1CCc2ccccc2Oc2c(Cl)cc(Cl)cc21 26386371 XKHSTRAPTUNBCN-UHFFFAOYSA-N 380.231 3.909 50 1 GHGF Cc1cc2c(Br)ccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2o1 587003209 HKEGCTZQBGEOQW-UHFFFAOYSA-N 385.221 3.651 50 1 GHGF COc1ccc2c(c1)C[C@H](Br)[C@]21CC(=O)c2cc(C)cc(N)c2O1 587373808 SXMNHJJOMSNHNI-HKUYNNGSSA-N 388.261 3.766 50 1 GHGF CN(C)CCSSCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 618008139 BBACNQUHFWECHW-UHFFFAOYSA-N 376.975 3.557 50 1 GHGF Cc1cccc(C)c1OCC(=O)OC/C(O)=C(\C#N)c1nc2ccccc2[nH]1 101628286 UTKUHZCEYJGUDD-SDXDJHTJSA-N 377.400 3.595 50 1 GHGF aggregator O=C1[C@H](Cl)[C@H](c2ccccc2Cl)N1/N=C/CCn1nnc2ccccc21 66258624 VAUUJXQGMDDIPU-UTWFGLGRSA-N 388.258 3.652 50 1 GHGF COc1cc(Br)cc2c1OC(N)=C(C#N)[C@H]2CC(=O)c1ccccc1 1857770834 WHUYDJLEDNUYMJ-ZDUSSCGKSA-N 399.244 3.901 50 1 GHGF CO[C@@]12CCN(Cc3ccccc3)C[C@H]1[C@H](c1ccc(C)cc1)C(C#N)=C(N)O2 299832655 KBDQTIIYXITHPY-WMTXJRDZSA-N 389.499 3.668 50 1 GHGF C[C@]1([C@H](Br)Cc2ccccc2F)NCCc2nc3ccccn3c21 962990663 RXPYHLGHBXWEJU-VQIMIIECSA-N 388.284 3.841 50 1 GHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc([C@@H](C)NC(C)=O)cc1)[C@@H](C2)C3=O 587419688 XUIVPNNUOPRKDA-OCKUYBSPSA-N 399.874 3.774 50 1 GHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cccc([N+](=O)[O-])c2[nH]1 587009801 UGQTWEVSPJUKFK-HNNXBMFYSA-N 397.822 3.591 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C\N(C)C)N1 587687351 GCBFQSNBTANTGS-ZWFHQRDPSA-N 386.696 3.526 50 1 GHGF COc1cc2c3c(c1)O[C@](CBr)(c1c[nH]c4ncccc14)[C@@H](C2)C3=O 587411578 DXRKFDLPXDQVAF-DJJJIMSYSA-N 399.244 3.609 50 1 GHGF CCc1ccc2c(c1)[C@]1(C(C=O)=CO2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962639411 WAPZRYKQPBGRKX-OWJWWREXSA-N 393.483 3.861 50 1 GHGF CC1(C)CC[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)[C@H](C=O)C(C=O)=CC[C@]12O 2356633439 YLSLVWQEQBOGHC-SHBJFUFKSA-N 396.483 3.513 50 1 GHGF Cc1cc2c(cc1O)[C@@](c1c[nH]c3ccccc13)([C@@H](C)Cl)N[C@H](C(=O)O)C2 963490608 LECYRVPKUBUDAP-CECALHEMSA-N 384.863 3.652 50 1 GHGF NNC(=O)c1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1 587067458 BBJMTONYECIJLE-UHFFFAOYSA-N 392.846 3.646 50 1 GHGF Cc1sc2c(c1C)CCN[C@]2(CCl)c1ccc2c(c1)NC(=O)[C@H](C)O2 963010138 MBRZASNKECAVBF-JEOXALJRSA-N 376.909 3.712 50 1 GHGF C#CC=CC[C@@H]1O[C@@H]2C[C@H](Br)[C@H](CC)O[C@@H]2C[C@H]1Br 2356740516 ONEBNODSYJNGPV-PMKSJIGOSA-N 392.131 3.818 50 1 GHGF COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)CCCl)cc1)[C@@H](C2)C3=O 587418892 BMFCGKHLOMBFFZ-KKSFZXQISA-N 385.847 3.925 50 1 GHGF C=C(C(=O)OC)[C@@H]1CC[C@]2(C)CC[C@@H](OC(=O)C(C)=CC)C(=C)[C@]2(OO)C1 2356426309 UOVOQTMUTPAZMZ-DEPWHIHDSA-N 378.465 3.978 50 1 GHGF Cc1nc(C)c(C(=O)NN=Cc2ccc(N(CCCl)CCCl)cc2)s1 254129581 UHCGZNMYOIQFEF-UHFFFAOYSA-N 399.347 3.808 50 3 GHGF NNC(=O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587065225 VZPULGITPBWPEK-UHFFFAOYSA-N 382.807 3.659 50 1 GHGF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@](C)(C(=O)O)[C@H]4CC[C@]3(CC1=NNC(N)=O)C2 2356708414 OXHIJBISUPBBOF-ZMRLAQFASA-N 375.513 3.898 50 1 GHGF O=C(N/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1ccccc1[N+](=O)[O-] 103227530 KMVLGZDVLYYXBN-QQTULTPQSA-N 395.378 3.701 50 1 GHGF Cc1nn(CCCl)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587686895 XXMXYTZWOYOCBG-JDNHERCYSA-N 386.696 3.956 50 1 GHGF NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc2ccccc2c1 28345614 BHOJXBAHKUXGGV-UHFFFAOYSA-N 395.267 3.851 50 1 GHGF CC(C)(c1ccc(S(=O)(=O)/C=C/C#N)cc1)c1nnc(-c2ccccc2)o1 147451921 RUUCUHNKRZNTHD-MKMNVTDBSA-N 379.441 3.873 50 1 GHGF O=C(Cl)CCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 587273130 IFBQZVFKCHXIAR-UHFFFAOYSA-N 388.645 3.981 50 1 GHGF CCOC(=O)CC[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689270 RJPLCDHMNYHSGD-MGPLVRAMSA-N 392.696 3.900 50 1 GHGF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2C[C@@H]2C2=C(COC2=O)[C@H]1[C@H](C)CC=CC(C)(C)OO 2356517737 SDGDVGLXQFITGK-ZJEGRLDJSA-N 392.492 3.914 50 1 GHGF CCOC(=O)c1ccc(/N=N/N(C)C(=O)OCOC(=O)c2ccccc2)cc1 72180989 ASLZMHHRPHWTEO-QZQOTICOSA-N 385.376 3.745 50 1 GHGF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(OC)ccc3C(=O)[C@@H](Br)[C@@H]21 254047152 VXNUYSOLTINORZ-IWKCEXAMSA-N 395.293 3.892 50 3 GHGF COc1ccc2c3c(n(CCCCl)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2 653789008 YRCIZQXAJXELEE-UHFFFAOYSA-N 397.814 3.579 50 1 GHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc([C@H](C)NC(C)=O)cc1)[C@@H](C2)C3=O 587419686 XUIVPNNUOPRKDA-BPGAAWKESA-N 399.874 3.774 50 1 GHGF BrC/C=C/c1nc2c(Br)cnc(Br)c2[nH]1 586972103 GOEZQTPXQTZJFI-OWOJBTEDSA-N 395.880 3.891 50 1 GHGF CCCNNC(=O)/C=C/c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1 1857545894 VGRNFHJXEIFRTK-OUKQBFOZSA-N 390.531 3.853 50 1 GHGF CN(C)CCSSCCCNC(=O)COc1cccc(Cl)c1Cl 618008304 DTDYOYOPRLJWDA-UHFFFAOYSA-N 397.393 3.822 50 1 GHGF Cc1cc([C@]2(CCl)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1F 963222538 GSRXRWMQGQKHCV-CTNGQTDRSA-N 384.838 3.764 50 1 GHGF N#CC1=C(NC(=S)Nc2ccccc2)N(c2ccccc2)C(=O)N2CCC[C@@H]12 103152775 AACIXTGZAJECDL-SFHVURJKSA-N 389.484 3.813 50 1 GHGF C[C@@]12CC[C@@H]3[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]43C)(CC1=NNC(N)=O)C2 2356708412 OXHIJBISUPBBOF-KFBNMKLOSA-N 375.513 3.898 50 1 GHGF Cc1ccc([C@@H]2C[C@@H](OO)N[P@](=O)(N(CCCl)CCCl)O2)cc1 40665004 JHFGBHLTFHJMCE-QUVIJQCPSA-N 383.212 3.749 50 1 GHGF C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N/C1=C/C(=O)OCc1ccccc1 195175085 COCMXHGKPIHRBM-AWWQTPIYSA-N 375.541 3.770 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C\N(C)C)N1 587688608 MMCJMOFADZDMMM-ZWFHQRDPSA-N 386.696 3.526 50 1 GHGF COC(=O)[C@]1(CCCCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587685099 NSVWECNOWMZLCB-BJOHPYRUSA-N 378.669 3.510 50 1 GHGF C#CCC=C[C@@H]1O[C@@H]1C[C@H](Br)[C@@H]1C[C@H](Br)[C@H](CC)O1 2356313090 RZSMWPNJSDYQTJ-WCBJTDJXSA-N 392.131 3.818 50 1 GHGF CCC(CC)C(=O)c1c[nH]c(C(=O)NCCCSSCCN(C)C)c1 618012343 AXTCRVVUHIFDIF-UHFFFAOYSA-N 385.599 3.697 50 1 GHGF C#C/C=C/C[C@@H]1O[C@H]([C@H](Br)CC)C[C@@H](Br)[C@H]2C[C@H]1O2 254078658 QVSXXUNREJZJAN-HIUIZLSUSA-N 392.131 3.818 50 1 GHGF Cc1nn(CCCl)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587681774 AQIDUKDNVJXUFN-JDNHERCYSA-N 386.696 3.956 50 1 GHGF Cc1nn(CCCl)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587681773 AQIDUKDNVJXUFN-FVMDXXJSSA-N 386.696 3.956 50 1 GHGF Cc1cc(C)cc(C(=O)N(NC(=O)c2cccc3c2OCCO3)C(C)(C)C)c1 103215913 YBPWCUBUAACUPL-UHFFFAOYSA-N 382.460 3.660 50 1 GHGF CCCc1c(O)ccc2c1O[C@@](CBr)(C1CCOCC1)CC2=O 587455998 IMFYPHIYMLZFBN-SFHVURJKSA-N 383.282 3.870 50 1 GHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)cc(O)n4C)[C@@H](C2)C3=O 587421365 LFLVVNANFAPFQC-YCRPNKLZSA-N 383.831 3.774 50 1 GHGF C=C(C(=O)OC)[C@@H]1CC[C@]2(C)CC[C@@H](OC(=O)C(C)=CC)C(=C)[C@@]2(OO)C1 2356426310 UOVOQTMUTPAZMZ-DGQTTZFYSA-N 378.465 3.978 50 1 GHGF CC(=O)OC[C@@H]1C(C=O)=CC[C@@H]2O[C@]2(C)C[C@H](O)[C@H]1[C@H](C)CCC=C(C)C 2356436625 UCDYQMDWYRMCHG-BSFDQTSGSA-N 378.509 3.602 50 1 GHGF CCOC(=O)C[C@@H]1OO[C@](C=C(CC)[C@H](OC)[C@@H](O)CC)(CC)C[C@H]1CC 2356793866 KTRPUVJBNXKUSZ-NRJJLHBYSA-N 386.529 3.957 50 1 GHGF COc1cc2c3c(c1)O[C@H](c1ccccc1OCCBr)[C@@H](C2)C3=O 587414931 ZBEHVVSLXCNVSK-IFXJQAMLSA-N 389.245 3.958 50 1 GHGF CC(=O)[C@H](Br)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587669051 ACWMMASVKDWNEL-GTNLGMRDSA-N 393.094 3.690 50 1 GHGF CCOCCNc1nc(SC)nc2c1cnn2C[C@H](Cl)c1ccccc1 13589896 VXQQMISKEQNIMY-HNNXBMFYSA-N 391.928 3.977 50 1 GHGF Cc1ccccc1Sc1c(C(=O)NNCCO)[nH]c2ccc(Cl)cc12 35001631 DSFFQROWJJBIHS-UHFFFAOYSA-N 375.881 3.508 50 1 GHGF O=C(NNC(=S)Nc1ccccc1Br)c1cc2ccccc2[nH]1 73129497 VYROMPRGTQUTQW-UHFFFAOYSA-N 389.278 3.562 50 1 GHGF COC(C)(C)[C@H](Br)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586971299 QSYJGKALXGWERD-RXMQYKEDSA-N 387.587 3.838 50 1 GHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(N4CCCC4=O)cc1)[C@@H](C2)C3=O 587416934 GPBQARITVWOCKW-HTAPYJJXSA-N 397.858 3.704 50 1 GHGF COC(=O)CC[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687134 FUUIEWSHWGWLAC-RFAUZJTJSA-N 378.669 3.510 50 1 GHGF COc1ccc2c(c1)c([C@]1(CCl)NCCc3nc4ccccn4c31)c(C)n2C 962989452 QCZKWWKUIULAJJ-QFIPXVFZSA-N 394.906 3.771 50 1 GHGF CCOC(=O)[C@H](Cl)[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687773 HWWMKMQBLXLCLZ-IJQVFZPHSA-N 392.696 3.898 50 1 GHGF N#C/C(=C\c1cn(CC(=O)O)c2ccccc12)C(=O)N1CCCc2ccccc21 13984841 GPOINCDNNRDNCO-SFQUDFHCSA-N 385.423 3.612 50 1 GHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(CBr)C2 587537401 DVVLGPYVZCVDGW-YSTGTXGZSA-N 375.218 3.898 50 1 GHGF Cc1nnsc1C(=O)N/N=C/C1=Cc2ccccc2O[C@H]1c1ccccc1 1772643636 PNTSSOWRQXVILV-IUOVYFEOSA-N 376.441 3.779 50 1 GHGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H]([C@H](Br)CC)C[C@@H]2Br 2356635474 ZZAINMHCOZIURO-HCDMYHGNSA-N 392.131 3.818 50 1 GHGF O=[N+]([O-])c1ccc([C@@H]2CCO[P@@](=O)(N(CCCl)CCCl)N2)cc1 43532370 BLLAFAYLTBTTPF-ZAMGYDSWSA-N 382.184 3.534 50 1 GHGF O=C([C@@H]1Cc2ccccc2[C@]2(CCCC[C@H]2Br)N1)C(F)(F)F 962760184 DLSMBPABTUNHOL-GUTXKFCHSA-N 376.216 3.865 50 1 GHGF O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN/C=C1\C=Nc2ccccc21 38167862 PRTRIZPWTNFFIG-ZRDIBKRKSA-N 390.321 3.534 50 1 GHGF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCCl)[C@@H]3CC[C@@H]12 40368840 OSAGKXBELTUPHH-HQTNTUHFSA-N 389.967 3.989 50 1 GHGF CSC(=S)O[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@@H]21 195516010 FPMWPZCUVFMELL-FDYHWXHSSA-N 394.631 3.918 50 1 GHGF CCC(CC)(C(=O)Cl)C(=O)c1c(CO)oc2cc(Br)cnc12 587274018 RHZHDXSOEXBIND-UHFFFAOYSA-N 388.645 3.837 50 1 GHGF Cc1ccc(/C=C(/C#N)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 587187037 AWHROQCJZFFFQT-BOPFTXTBSA-N 382.427 3.995 50 1 GHGF CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)ccc1OC 4167052 YIBLJPKCCHABMH-INIZCTEOSA-N 394.456 3.764 50 1 GHGF Cc1cccc(S(=O)(=O)NNC(=O)c2ccc3oc4ccccc4c3c2)c1 36184823 UXXPEXRUDBPEKG-UHFFFAOYSA-N 380.425 3.518 50 1 GHGF N#C/C(=C\c1cccc(Br)n1)C(=O)N[C@@H]1CCCc2ccccc21 73166779 MRAGYIWQNDNWAW-GWKQRERASA-N 382.261 3.945 50 1 GHGF CCCCNC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccccc1F 472791600 OXOWFAJYHWGELM-UHFFFAOYSA-N 375.831 3.773 50 1 GHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(C2CCOCC2)N1 587687301 ZSOWWXGRDXMJQY-MGPLVRAMSA-N 376.697 3.983 50 1 GHGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1C=C[C@@](C)(O)[C@H](O)CBr 2356797348 NVCPOLTZJQZLPD-QVHKTLOISA-N 396.163 3.805 50 1 GHGF O=[N+]([O-])c1ccc([C@H]2CCN[P@@](=O)(N(CCCl)CCCl)O2)cc1 44018555 GWAYXBYKOSDHRU-ZLOXQWCVSA-N 382.184 3.534 50 1 GHGF C/C1=C\CC[C@]2(C)O[C@@H]([C@H](C)CCC1)[C@@H]1OC(=O)[C@]3(OO)CCO[C@@H]2C[C@H]13 102219119 IIEYUXOIXOZQQX-CYBZCCGASA-N 380.481 3.639 50 1 GHGF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)([C@@H](C)Br)CC2=O 587451253 JMMRVKYDSDWVBB-ZMZPIMSZSA-N 399.281 3.785 50 1 GHGF CCN(CC)CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 43692903 LFCVCCZDBJKPAK-CSVMXFRRSA-N 383.529 3.553 50 1 GHGF C#C/C=C/C[C@@H]1O[C@@H]([C@@H](Br)CC)C[C@@H](Br)[C@H]2C[C@@H]1O2 145368171 QVSXXUNREJZJAN-JNHAOWKISA-N 392.131 3.818 50 1 GHGF O=C(CCl)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1 1857541135 CPHOGWQSGAPBLS-UHFFFAOYSA-N 397.645 3.900 50 1 GHGF CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C[C@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@H]12 102063585 WKGJKGLZMOYISD-IWYQCPQHSA-N 396.483 3.544 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)NC(=O)CS3)O2 587414164 KXTVDRDZERKSNX-IBGZPJMESA-N 388.876 3.721 50 1 GHGF COc1ccc(CN2C(=O)CCCC=C[C@H]2CI)cc1 6040535 QXKNMNZHLSNGGS-AWEZNQCLSA-N 385.245 3.568 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(C2CCOCC2)N1 587686792 XLKBSYJWFJCURY-QLJPJBMISA-N 376.697 3.983 50 1 GHGF C=CCO[C@@]1(C(F)(F)F)O[C@@H]2O[C@@]3(C)C[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1857565968 WQENOQDEOVXYPR-RRIGHJONSA-N 378.387 3.939 50 1 GHGF Nc1cccc(C(=O)N/N=C2\c3cc(Cl)ccc3C(=O)[C@@H]3C=CC=C[C@@H]23)c1 103194043 JKQVGXSXQYCQTC-CHXDIULOSA-N 377.831 3.611 50 1 GHGF COC(=O)c1cc(Cl)c2[nH]c([C@@H](Br)C(C)(C)OC)nc2c1 586970842 KCWMNSGHQOHCNR-LLVKDONJSA-N 375.650 3.864 50 1 GHGF O=C(O)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8018719 OTOBBGDDRIPQTN-FDFHNCONSA-N 391.407 3.967 50 1 GHGF CC=C[C@H](C[C@H](Br)[C@@H]1C[C@@H](Cl)[C@@H](CC=CC#N)O1)OC(C)=O 2356802749 WJWKSDFHHIAJMV-JKJDWNRSSA-N 390.705 3.883 50 1 GHGF N#CC1=C(N)n2nc(N)c(Cc3ccc(Cl)cc3)c2N[C@H]1c1ccccc1 957608741 WWOLDQLFNGQLIY-KRWDZBQOSA-N 376.851 3.527 50 1 GHGF N#CC(=C\c1cccc2ccccc12)/C=C1\SC(=S)N(CC(=O)O)C1=O 103229573 SUYMZCMDLZIFIY-FNOQKXNMSA-N 380.450 3.576 50 1 GHGF CC1(C)CC[C@@H](OC(=O)/C=C/c2ccccc2)[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@@]12O 139779925 YLSLVWQEQBOGHC-LVJAZZQESA-N 396.483 3.513 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(N(C)C)cc1)O2 587371444 DTPLTQZMQPBVQT-IBGZPJMESA-N 389.293 3.899 50 1 GHGF O=C1O[C@H](c2ccc(C(F)(F)F)cc2)C[C@]23OO[C@@]4(C=C12)CCCC[C@H]4O3 96934035 LAKKZSYIRZDJHU-IDCNUPLLSA-N 382.334 3.990 50 1 GHGF COc1cc2c3c(c1)O[C@](C)(c1ccccc1NC(=O)CCCl)[C@@H](C2)C3=O 587422120 PLGIMKYEZUSNNH-YCRPNKLZSA-N 385.847 3.925 50 1 GHGF COc1cc(/C(=C\C=O)c2ccc3c(c2)c(C=O)cn3C)cc(OC)c1OC 95583358 XYBULASRKICWPI-IDUWFGFVSA-N 379.412 3.647 50 1 GHGF C=C1C(=O)O[C@H]2/C=C(\C)CC[C@H](OC(C)=O)[C@@]3(C)CC[C@H](OO3)/C(C)=C/C[C@@H]12 169290769 DCNHEHMOEMETOF-DVDSHRBZSA-N 390.476 3.962 50 1 GHGF COc1ccc(/C=N/NC(=O)CCn2cc(C)c3c(OC)cccc32)cc1OC 115598183 XDKJOWAZOPQLGY-YDZHTSKRSA-N 395.459 3.516 50 1 GHGF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1CCCl 587685205 OIJCNESEPQWJJO-XXFAHNHDSA-N 386.696 3.956 50 1 GHGF CCc1ccccc1NS(=O)(=O)c1cccc(NC(=O)NCCCCl)c1 95552878 JRRPROQNGZDWLH-UHFFFAOYSA-N 395.912 3.800 50 1 GHGF O=C(N/N=C/c1ccc(Br)cc1)c1cc[n+](Cc2ccccc2)cc1 1199670 GNRXVMZYMGRACJ-UHFFFAOYSA-O 395.280 3.549 50 3 GHGF N#CC1=COc2ccc(F)cc2[C@]12c1c(Cl)ccc3c1CCN2[C@H]3C(=O)O 962574197 PGQYOYAFKNUDQA-QUCCMNQESA-N 382.778 3.520 50 1 GHGF COC(=O)CCCCCCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O 95809076 JDJQAHSACTYYJB-VXLYETTFSA-N 375.252 3.663 50 1 GHGF Cc1cn(-c2ccc([C@@]3(CBr)NCCc4c(C)ccnc43)cc2)cn1 963073666 XMAMMJOHHXWBCO-HXUWFJFHSA-N 397.320 3.668 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)NC(=O)CS3)O2 587414169 KXTVDRDZERKSNX-LJQANCHMSA-N 388.876 3.721 50 1 GHGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CCCCl)(c3ncco3)N12 962660131 GCEDEJPEINCCEU-LEWJYISDSA-N 399.878 3.584 50 1 GHGF CCCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)NCCCl)cc1 95557093 GEKVNHCTNVOLDZ-UHFFFAOYSA-N 395.912 3.800 50 1 GHGF CC(=O)[C@H](Br)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587669055 ACWMMASVKDWNEL-ISEFBEROSA-N 393.094 3.690 50 1 GHGF COc1ccc(NC(=O)c2cc(NC(=O)[C@@H](C)Br)ccc2F)cc1 28954577 FTQSCLWIJIXVEE-SNVBAGLBSA-N 395.228 3.809 50 1 GHGF CCc1c(C(=O)CCl)[nH]c(C)c1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587421511 MRWJLBNMFATUDF-SPLOXXLWSA-N 387.863 3.978 50 1 GHGF O=C(Cl)c1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587277034 WRAPDIOHOYTBDV-UHFFFAOYSA-N 394.608 3.693 50 1 GHGF N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCN2CCCCC2)n1 13647718 ICJYEALBKFLIMA-XDJHFCHBSA-N 378.505 3.784 50 1 GHGF CC1=NC(C)=C(C#N)[C@@H](c2ccc3[nH]nc(OCCOC(C)C)c3c2)[C@@H]1C#N 169694592 PDPVWAYJDRKXJH-XLIONFOSSA-N 377.448 3.862 50 1 GHGF CCC(CC)C(=O)c1c[nH]c(C(=O)N(C)CCSSCCN(C)C)c1 618010413 WWYKKKVKCGTISP-UHFFFAOYSA-N 385.599 3.649 50 1 GHGF C#CC=CC[C@@H]1O[C@H]([C@@H](Br)CC)C[C@@H](Br)[C@H]2C[C@H]1O2 2356571427 QVSXXUNREJZJAN-PMKSJIGOSA-N 392.131 3.818 50 1 GHGF CC1(C)CC[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)[C@H](C=O)C(C=O)=CC[C@@]12O 2356633437 YLSLVWQEQBOGHC-CDPNLFKUSA-N 396.483 3.513 50 1 GHGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O 2178319848 CUMVUMGFTBMQRB-VGWMRTNUSA-N 392.685 3.519 50 1 GHGF Cc1sc2c(c1C)CCN[C@@]2(CBr)[C@H]1COc2ccccc2O1 963008113 JNZLENLGIAXIBO-AEFFLSMTSA-N 394.334 3.941 50 1 GHGF CCc1ccccc1OS(=O)(=O)c1ccc(NC(=O)NCCCCl)cc1 95557480 QZWXSBATBAAPRV-UHFFFAOYSA-N 396.896 3.767 50 1 GHGF COc1ccc([C@@]2(CCCCl)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963507576 IIPJLJSJZOYUOQ-GHTZIAJQSA-N 389.879 3.571 50 1 GHGF COc1cc2c3c(c1)O[C@](CCl)(c1nnc(-c4ccccc4)o1)[C@@H](C2)C3=O 587421437 LZFUTKNPEVJGSU-XOBRGWDASA-N 382.803 3.627 50 1 GHGF O=C(N[C@@H](Cc1ccccc1)C(=O)O[C@H](Cl)CCl)OCc1ccccc1 1997883 KQUMDRSFGJYKSZ-IRXDYDNUSA-N 396.270 3.871 50 1 GHGF C[C@H](Cl)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587887533 QRFARPMLDWHIES-NSHDSACASA-N 382.678 3.794 50 1 GHGF COC1=COC(CCl)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587684784 MNQNSGHCKUMRDF-ABKXIKBNSA-N 388.664 3.958 50 1 GHGF CCOC(=O)[C@H](Cl)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689891 XRAAERLMIMVYRZ-IIRLODAESA-N 378.669 3.508 50 1 GHGF CC(C)[C@@H]1CC[C@H](O)[C@@H]2[C@@H]3[C@](C)(C=CC(=O)[C@]3(C)O)CC[C@]12CBr 2356378619 REIJBRJPDFHYHQ-FSTJLPEUSA-N 399.369 3.717 50 1 GHGF C[C@@](Br)(CCl)[C@H]1C[C@H](O)[C@](C)(/C(Cl)=C/Br)O1 34608863 KUMNGEFTSKDDEM-VXPHWNAJSA-N 396.934 3.762 50 1 GHGF CN(C)CCSSCCCNC(=O)Cc1ccc(OC(F)(F)F)cc1 618008222 CAEXWKKCQRZMHF-UHFFFAOYSA-N 396.500 3.577 50 1 GHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)C(C)(C)C(=O)N4)[C@@H](C2)C3=O 587420773 ITZSCSFDTRHXTQ-NYHFZMIOSA-N 397.858 3.807 50 1 GHGF C[C@H](CCC(=O)Cl)CC(=O)c1c(CO)oc2cc(Br)cnc12 587272815 CDWPFXHMOUSPDB-MRVPVSSYSA-N 388.645 3.837 50 1 GHGF CCOC(=O)[C@@]1(CCCCCl)NCCc2cnc3c(OC)cccc3c21 963041851 ZIWJMVNOERSZRS-FQEVSTJZSA-N 376.884 3.557 50 1 GHGF CN(C)c1ccc([C@H]2C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)cc1 58592679 DLVSAQAORXITNK-OAQYLSRUSA-N 381.439 3.976 50 1 GHGF Cc1nc2ccccc2c(=O)n1NC1=CSC(=C(C#N)C#N)N1c1ccccc1 98084837 SYWPKABODWIWOV-UHFFFAOYSA-N 398.451 3.559 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc([N+](=O)[O-])c1)O2 587375235 RVASGGVRXMGKDL-KRWDZBQOSA-N 391.221 3.741 50 1 GHGF COc1ccc(C(=CC=O)c2ccc3c(c2)c(C=O)cn3C)c(OC)c1OC 1857742060 VPTYROHQVMQRKO-UHFFFAOYSA-N 379.412 3.647 50 1 GHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc(O)c(O)c1 587542309 GNLJUCFNLNHMHV-RXVVDRJESA-N 398.798 3.899 50 1 GHGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@@H]2C[C@@H](Br)[C@@H](Br)CC 2356398015 SVJJUIWBRNYBIG-QAIIKZMUSA-N 392.131 3.818 50 1 GHGF CN(C(=O)/C(C#N)=C/c1cn(CC(=O)O)c2cc(Cl)ccc12)c1ccccc1 96271116 GQSXBKJRKCSACG-NTEUORMPSA-N 393.830 3.949 50 1 GHGF CCCCNS(=O)(=O)c1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1 587189201 ZNAJJHCYDDYIHF-VBKFSLOCSA-N 380.473 3.705 50 1 GHGF C[C@]1(O)c2ccccc2O[C@@]2(C)[C@H](P(=O)(c3ccccc3)c3ccccc3)[N@]12 1857575305 SETLOQKCNJJJKD-NEWJYFPISA-N 391.407 3.616 50 1 GHGF CCCC[C@@H](/C=N/N(C)C(=O)NCCc1ccccc1)NC(=O)OC(C)(C)C 28570811 JLVGCSGEPQMTQI-RPNTZMPASA-N 390.528 3.940 50 1 GHGF O=C(Oc1ccc([N+](=O)[O-])cc1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205713002 NOIKGELTSRKQEJ-GZRFBZBPSA-N 388.420 3.824 50 3 GHGF COC(=O)[C@@H](Cl)Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1 26249282 CCNFURFASZUTNE-INIZCTEOSA-N 388.851 3.666 50 1 GHGF N#C/C(=C\c1ccccc1OCCCN1CCOCC1)c1noc2ccccc12 40646028 JISKCCOLPWPVOG-KNTRCKAVSA-N 389.455 3.993 50 1 GHGF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1CCCl 587542331 GPVXFSQXZCWSAI-PXNSSMCTSA-N 384.819 3.839 50 1 GHGF O=C(N[C@@H](Cc1ccccc1)C(=O)O[C@@H](Cl)CCl)OCc1ccccc1 1997884 KQUMDRSFGJYKSZ-DLBZAZTESA-N 396.270 3.871 50 1 GHGF CC(=O)OC[C@@]12CC[C@@]3(C(=O)O)[C@@H](CC[C@@H]3C(C)C)[C@@H]1[C@H]1C=C(C)[C@@H](C2)OO1 95909211 RDNDSRLZDOEQBR-VSONCLMKSA-N 392.492 3.748 50 1 GHGF biogenic,in-vitro C=C(CCCC(C)=O)[C@@H]1C(=O)OCC(=CCCC(C)(C)OO)[C@H]1CC(=O)OC 2356817054 DHALAZDQAZFAPD-MJGOQNOKSA-N 396.480 3.629 50 1 GHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CCCC(=O)N4)[C@@H](C2)C3=O 587419597 FIIOLVMUXCIQRJ-AOMKIAJQSA-N 397.858 3.852 50 1 GHGF CN1CCc2c(Br)cccc2[C@@]1(C)[C@H](Cl)C(=O)C(F)(F)F 963289666 QCEAFBLDGFMSOI-YPMHNXCESA-N 384.623 3.891 50 1 GHGF CN1CSC2=C(C#N)[C@@H](c3cccc(OCc4ccccc4)c3)CC(=O)N2C1 20238337 CIQDVXMEMWBEAN-LJQANCHMSA-N 391.496 3.910 50 3 GHGF aggregator O=c1c(-c2ccc(O)cc2)coc2cc(OCCBr)cc(O)c12 40424258 RPGUCXCYSZETNW-UHFFFAOYSA-N 377.190 3.645 50 1 GHGF COc1cc(F)c(/C=N/NC(=O)CCn2cc(C)c3c(C)cccc32)cc1OC 115598520 CDUQWHNXOHMKOO-WYMPLXKRSA-N 397.450 3.955 50 1 GHGF C#C/C=C\C[C@@H](Cl)[C@H]1C[C@H](Cl)[C@@H](O)C[C@H]([C@H](Br)CC)O1 166191443 YHVFINYCOUVCNK-LSPXGVMLSA-N 384.141 3.863 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C/N(C)C)N1 587687348 GCBFQSNBTANTGS-HBOJBGJYSA-N 386.696 3.526 50 1 GHGF COc1ccc(C(=O)NN2C(Cl)=NC=C[C@@H]2Cl)cc1OC1CCCC1 29463769 PQEVVJXKWXJDMM-OAHLLOKOSA-N 384.263 3.650 50 1 GHGF N#C/C(=C\c1ccccc1OCCN1CCOCC1)c1noc2ccccc12 40554721 RHJDIIUVGNORPK-OBGWFSINSA-N 375.428 3.603 50 1 GHGF CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOCc4c(C)noc4C)[C@@]13OO2 299818418 QXUHMZVNICOORD-MEBIHWHUSA-N 381.469 3.814 50 1 GHGF C[C@@H](CCC(=O)Cl)CC(=O)c1c(CO)oc2cc(Br)cnc12 587272821 CDWPFXHMOUSPDB-QMMMGPOBSA-N 388.645 3.837 50 1 GHGF C#CC=CC[C@@H]1O[C@H]2C[C@H](Br)[C@H](CC)O[C@H]1C[C@@H]2Br 2356510689 INTLAWPKZQSZHS-LZXPERKUSA-N 392.131 3.818 50 1 GHGF CCCc1c(O)ccc2c1O[C@](CNC(=O)CCl)(c1cccs1)CC2=O 587496357 WLTAEWNUTUVFNE-LJQANCHMSA-N 393.892 3.622 50 1 GHGF COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1c(Cl)cccc1Cl 13445954 TUQFTYUDAZQQRD-UHFFFAOYSA-N 392.286 3.846 50 1 GHGF C#Cc1cccc(Nc2ncnc3ccc(N/C=C(\C#N)C(=O)OCC)cc23)c1 95602573 FRSLXYKAPNZUCH-DTQAZKPQSA-N 383.411 3.737 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CN(C)C(=O)N3)O2 587374652 ZDIRMAUODPLCKS-HXUWFJFHSA-N 385.851 3.654 50 1 GHGF Cc1nn(CCl)c(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587881522 OBOIQUGMTWAZOH-UHFFFAOYSA-N 384.694 3.713 50 1 GHGF O=C(CBr)Nc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 73198620 FVWONIJXCMGEMK-LREOWRDNSA-N 388.217 3.645 50 1 GHGF CCOC(=O)[C@H](Cl)[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545592 RTDZFSKUZDKECA-MOXGXCLJSA-N 390.819 3.673 50 1 GHGF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C(=O)NN)cc1 587866164 WRONFPSKLYMVLT-UHFFFAOYSA-N 390.365 3.560 50 1 GHGF COc1cc2c(cc1OC)-c1c(c3ccccc3c(=O)n1CCCCl)C2=O 27197700 XVSDEAKXHPRGRQ-UHFFFAOYSA-N 383.831 3.859 50 1 GHGF COc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(F)c1 587385349 NIWFAYNTSGMCDE-SFHVURJKSA-N 394.240 3.981 50 1 GHGF CC1(C)O[C@](C)([C@@H]2CC[C@]3(C)OC(=O)CC[C@H]3O2)CC[C@H]1Br 2356793305 HECWWSBEMBBKGK-YEJOONJESA-N 375.303 3.741 50 1 GHGF CO[P@](=O)(c1cccc(C(C)C)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425781 YKZROECIBWPDAX-AREMUKBSSA-N 390.807 3.919 50 1 GHGF CCOC(=O)[C@@]1([C@@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 587500072 QBHQRNWQXWMYFN-ZMZPIMSZSA-N 381.266 3.616 50 1 GHGF CN1CSC2=C(C#N)[C@H](c3cccc(OCc4ccccc4)c3)CC(=O)N2C1 20238340 CIQDVXMEMWBEAN-IBGZPJMESA-N 391.496 3.910 50 3 GHGF aggregator CC(=N)/C(C#N)=C(/O)CSc1n[nH]c(-c2ccccc2Br)n1 101930989 WKTOUULXANESKP-LQSIYPFOSA-N 378.255 3.702 50 1 GHGF CC(=O)NCc1ccc([C@]2([C@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)s1 587412139 XLSCZTWTWWTOIV-JEOXALJRSA-N 392.908 3.763 50 1 GHGF Cc1ccc(/C=C/C(=N/NC(=O)c2snnc2C)c2ccc(O)cc2)cc1 299833906 AQIQDTVKCYWMAY-KUZSRZIKSA-N 378.457 3.708 50 1 GHGF Nc1ncnc2c1c(-c1ccc(CO)cc1)nn2C[C@H](Cl)c1ccccc1 1857552476 BYWUIYIFSMRUSS-INIZCTEOSA-N 379.851 3.548 50 1 GHGF C=C(C)c1cn([C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)nn1 44358912 RCESALWASZLGKR-VJDBPIJISA-N 375.469 3.692 50 1 GHGF COc1ccc([C@H]2O[C@]34C[C@H](c5ccc(F)cc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96933698 PTIBNQYKLMYBAS-CZAYHTPWSA-N 398.386 3.937 50 1 GHGF COc1ccccc1[C@H]1C(C#N)=C2N=C(N)c3ccccc3N2C2=C1C(=O)CCC2 2500551 FJTXCZYIGUHHPW-NRFANRHFSA-N 396.450 3.760 50 1 GHGF CN1C(=O)[C@@]23SS[C@@]1(c1ccccc1)C(=O)N2c1ccccc1C3(C)C 169347707 JUVOIJGXDFXNJK-PMACEKPBSA-N 382.510 3.727 50 1 GHGF CC(C)(F)[C@@H](Br)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587087631 RZOUFQYVIXPWGY-NSHDSACASA-N 394.248 3.806 50 1 GHGF C#CC=CC[C@@H]1O[C@@H]1C[C@H](Br)[C@@H]1C[C@H](Br)[C@@H](CC)O1 2356424375 TYJMRPRTZBFOAI-RODWMJHOSA-N 392.131 3.818 50 1 GHGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cn(C)nc1C)CC2=O 587457205 WHWMEAHOPAXVRI-SFHVURJKSA-N 393.281 3.642 50 1 GHGF COc1cc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2)cc(OC)c1OC 40568324 SCPHPFGYSDPRFQ-AWQFTUOYSA-N 383.231 3.783 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)CC([C@@H](C)Br)([C@@H](C)Br)O2 587376380 XGBLCQJQLPPDJZ-RKDXNWHRSA-N 391.103 3.848 50 1 GHGF COC1=COC(CCl)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587684783 MMDRFIHRGGWKBP-XXFAHNHDSA-N 388.664 3.958 50 1 GHGF COc1ccc(NC(=O)c2cccc(NC(=O)[C@@H](C)Br)c2)cc1 28954537 WRPONTGWJHIVJM-LLVKDONJSA-N 377.238 3.669 50 1 GHGF Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3oc4ccccc4c3c2)cc1 40764117 ZOIXTRCEGYWYKU-UHFFFAOYSA-N 380.425 3.518 50 1 GHGF COC(=O)c1cc(Br)c2[nH]c(CCCCBr)nc2c1 586972123 HFOLUSWLUMTBLF-UHFFFAOYSA-N 390.075 3.830 50 1 GHGF CN1CCc2c(Br)cccc2[C@@]1(C)[C@@H](Cl)C(=O)C(F)(F)F 963289663 QCEAFBLDGFMSOI-AAEUAGOBSA-N 384.623 3.891 50 1 GHGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cccnc1)CC2=O 587455349 AVWIEJJAQHFVLR-GOSISDBHSA-N 376.250 3.995 50 1 GHGF COc1cc2c(cc1OC)[C@]1(C=C(C(=O)Cl)Oc3ccccc31)N(C)[C@H](C)C2 962619705 FTDQKLOKEWEEAI-MCMMXHMISA-N 399.874 3.866 50 1 GHGF NC(=O)c1[nH]c2ccc(Cl)cc2c1P(=O)(c1ccccc1)c1ccccc1 59425493 ATWQGXCSWDKEMW-UHFFFAOYSA-N 394.798 3.560 50 1 GHGF O=C(N/N=C1\CCc2cccc(O)c21)c1cccc(C(=O)NC2CCCCC2)c1 1857621352 BLRQIWDMFNAZDJ-NCELDCMTSA-N 391.471 3.535 50 1 GHGF CSC(=S)O[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2OC(C)(C)O[C@@H]21 254075382 FPMWPZCUVFMELL-LOWDOPEQSA-N 394.631 3.918 50 1 GHGF CN(C)CCSSCCN(C)C(=O)c1ccc(Br)s1 618009649 GJNNPZLECNGAIW-UHFFFAOYSA-N 383.402 3.526 50 1 GHGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1Cl 103175373 WVCWHLWGPAGHCS-HIFRSBDPSA-N 394.645 3.841 50 1 GHGF CCCc1cccc(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)c1 473150471 MAQAACJYMIYCDH-UHFFFAOYSA-N 396.896 3.767 50 1 GHGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)NC(=O)CCl)cc1 587906787 SOAGOVLYSPQZSK-UHFFFAOYSA-N 377.227 3.635 50 1 GHGF CO[P@](=O)(c1cccc2ccccc12)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 59425696 CVRWUOMZMJDEAJ-HHHXNRCGSA-N 398.786 3.949 50 1 GHGF CCOC(=O)[C@H](Cl)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587689550 UIGYMCJOQCKXQC-AFEMSUNCSA-N 378.669 3.508 50 1 GHGF CN1C(=O)C[C@@H]2CN[C@@](CBr)(c3ccccc3F)c3cccc1c32 963018808 COTLDAJPRYULNR-BLVKFPJESA-N 389.268 3.518 50 1 GHGF COc1ccc(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc1F 72108890 JDGOFKRWKCKLSR-SSDVNMTOSA-N 383.448 3.933 50 1 GHGF COC(=O)c1c(C)[nH]c([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587371539 GLDGUYAUYMAXHO-ODXCJYRJSA-N 390.867 3.797 50 1 GHGF CCOC(=O)[C@H]1CCCN(C/C(O)=C(\C#N)c2nc(-c3ccccc3)cs2)C1 101966611 XSXCSYAHZMXMRV-NCJSADBTSA-N 397.500 3.878 50 1 GHGF C#C/C=C/C[C@H]1O[C@@H]([C@@H](Br)CC)C[C@@H](Br)[C@@H]2C[C@H]1O2 195516878 QVSXXUNREJZJAN-BRVIGVBWSA-N 392.131 3.818 50 1 GHGF COc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587383156 YHBCFIJQXWBHSM-GOSISDBHSA-N 394.240 3.981 50 1 GHGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427655 JRIIMBSXUOJSNA-KSSFIOAISA-N 377.209 3.872 50 1 GHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Cl)[C@H](O)[C@H](CBr)[C@@H](CC)O1 2356545035 MFEVKEHDTZDLJG-ULXLPNHUSA-N 384.141 3.720 50 1 GHGF Cc1csc(SCc2ccc(-c3nc4cc(C(=O)NN)ccc4[nH]3)cc2)n1 587021569 NPHNZEAYAOVTMK-UHFFFAOYSA-N 395.513 3.891 50 1 GHGF CC[C@]1([C@H](Cl)C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587690121 ZHCCWWFDHIMCLV-ZXCZTKLOSA-N 378.669 3.508 50 1 GHGF CCN(CC)c1ccc([C@]2(C(F)(F)F)N=C3C=CC=CN3C(N)=C2C#N)cc1 621477576 CVGJBDFNXARCDB-IBGZPJMESA-N 387.409 3.782 50 1 GHGF CCOC(=O)CC[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544991 PVMKQBZNJZXDFH-PXNSSMCTSA-N 390.819 3.675 50 1 GHGF C[C@@H]1C(=O)C[C@@H](c2ccc(F)cc2)N(C(=O)CCl)[C@@H]1c1ccc(O)cc1 169352146 YOXMBNFTVZOABI-ZINOCKGTSA-N 375.827 3.990 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(COc1ccccc1)O2 587375427 SEFAZKTYXDVJIT-GOSISDBHSA-N 376.250 3.755 50 1 GHGF N[C@H](CSSC(=O)N(C(=O)Nc1ccccc1)c1ccccc1)C(=O)O 1857634552 RCKNJXFGQNJHOU-CQSZACIVSA-N 391.474 3.638 50 1 GHGF CN(C)CCSSCCNC(=O)COc1ccc(Cl)c2ccccc12 618009031 PLNUIAHTTJPFLF-UHFFFAOYSA-N 398.981 3.931 50 1 GHGF CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(OC)cc3)c21 5095160 BRFOPIIYDKBZLJ-GOSISDBHSA-N 388.427 3.702 50 1 GHGF N#CC1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 64373356 KSKLCDYJJHPNTQ-IBGZPJMESA-N 383.367 3.819 50 1 GHGF CC[C@@H](OO)[C@H]1C[C@@H]([C@@H]2C=C[C@@H](CCCCCCCC(=O)OC)OO2)OO1 231929804 QAMDHRQSVQULEB-SFFUCWETSA-N 388.457 3.503 50 1 GHGF CC(=O)N1CCc2cc([C@]3([C@H](C)Cl)CC(=O)c4cc(C)cc(N)c4O3)ccc21 587373543 RIGLDWXEQZDWQK-WHEQGISXSA-N 398.890 3.974 50 1 GHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c[nH]c(C=O)c2)N1 587685283 PGFUKJVWRNQPIA-FVMDXXJSSA-N 385.664 3.745 50 1 GHGF C#CC=CC[C@@H]1O[C@H]2C[C@H](Br)[C@H](CC)O[C@H]1C[C@H]2Br 2356510687 INTLAWPKZQSZHS-IWTMDLJTSA-N 392.131 3.818 50 1 GHGF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2[C@@H](Cl)C(C)=O)cc1 28950938 XBEVZRUEOZSTOW-OALUTQOASA-N 389.835 3.616 50 1 GHGF COc1cc2c3c(c1)O[C@@](CBr)([C@H]1Cc4ccccc41)[C@@H](C2)C3=O 587413304 MOTMZLZNRJHGBV-FTRWYGJKSA-N 385.257 3.916 50 1 GHGF CC[C@]1([C@H](Cl)C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587690002 YMAAKMSSQFEKQI-ZXCZTKLOSA-N 378.669 3.508 50 1 GHGF COc1cc(/C=C(/C#N)C(N)=O)cc(CSCc2ccc(Cl)cc2)c1O 38142773 LSTSYXGQPRASQW-NSIKDUERSA-N 388.876 3.880 50 1 GHGF CCn1cc(C(=O)N/N=C2\C[C@H]3CC[C@@]2(C)C3(C)C)c(=O)c2ccc(C)nc21 103161019 YYUFUJGRYWKLFH-IRTQSXQLSA-N 380.492 3.657 50 1 GHGF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](Br)C(=O)C3 586985707 JJSKXDKNMVASIX-KRWDZBQOSA-N 380.197 3.713 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@H]1CCN1C(=O)OC(C)(C)C)O2 587374824 ZPNUEAKQNFGBDR-BEFAXECRSA-N 380.872 3.529 50 1 GHGF COc1cc2c3c(c1)O[C@H](c1cccc(OCCBr)c1)[C@@H](C2)C3=O 587414475 VVBMFXPKTDWDMK-HNAYVOBHSA-N 389.245 3.958 50 1 GHGF NC(=O)N1CCc2sccc2[C@@]1(CCl)c1ccc(Br)cc1 962710194 LKEXHDNMADYVSG-OAHLLOKOSA-N 385.714 3.930 50 1 GHGF C#C/C=C\C/C=C1/O[C@H]2C[C@H]([C@@H](Br)CC)O[C@H]2[C@@H]1Br 59725741 ZAKKSVIAKVSQCR-YNDVKTEVSA-N 390.115 3.943 50 1 GHGF O=C(N/N=C\c1ccncc1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 60210816 ZOFYKCBZESCZOF-QRVIBDJDSA-N 378.819 3.751 50 1 GHGF CCOC(=O)C[C@@H]1OO[C@](C=C(CC)[C@H](OC)[C@H](O)CC)(CC)C[C@H]1CC 2356793868 KTRPUVJBNXKUSZ-UEUMHJPSSA-N 386.529 3.957 50 1 GHGF COc1ccc([C@@]2(CBr)c3c(F)cccc3C[C@@H]3CCCN32)cn1 963103000 UACVVCMGVGJCSF-KXBFYZLASA-N 391.284 3.888 50 1 GHGF N#CC1=COc2ccc(F)cc2[C@]12c1c(Cl)ccc3c1CCN2[C@@H]3C(=O)O 962574192 PGQYOYAFKNUDQA-ICSRJNTNSA-N 382.778 3.520 50 1 GHGF C[C@@H]1CC[C@H]2[C@@H](Cc3cccc(F)c3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 103200325 YFURXOUDPJHVOO-UPGBMAIKSA-N 376.424 3.757 50 1 GHGF CCOC(=O)[C@]1([C@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 587500068 QBHQRNWQXWMYFN-BBATYDOGSA-N 381.266 3.616 50 1 GHGF COc1cccc2c3c(cnc12)CCN[C@]3(C)[C@@H](Cl)C(=O)OC(C)(C)C 963059323 QTBNSASSUPVQJV-PXNSSMCTSA-N 376.884 3.553 50 1 GHGF N#Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N=C=O 587877988 XENPBGFUEXJNSM-UHFFFAOYSA-N 384.222 3.543 50 1 GHGF CC[C@H](OO)[C@@H]1C[C@@H]([C@@H]2C=C[C@@H](CCCCCCCC(=O)OC)OO2)OO1 231929802 QAMDHRQSVQULEB-FPSMNIFISA-N 388.457 3.503 50 1 GHGF Oc1nc(O)c2ccc([C@H](Br)Cc3ccc(Cl)cc3F)nc2n1 587368954 XZJGDDKWNMWRSX-SNVBAGLBSA-N 398.619 3.907 50 1 GHGF CC[C@](ONc1ccccc1C(F)(F)F)(C(=O)NN(C)C)c1ccccc1 36387715 YLGKARHVSZXTQV-GOSISDBHSA-N 381.398 3.947 50 3 GHGF COC(C)(C)[C@H](Br)c1nc2c(C)c(Br)cnc2[nH]1 586970201 BPLXRGGYLQESOX-SECBINFHSA-N 377.080 3.890 50 1 GHGF COc1cccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c12 587009499 INRIGPZVPGIPDO-INIZCTEOSA-N 382.851 3.692 50 1 GHGF CCO[C@H]1C[C@@]2(C)[C@@H](C[C@H](Br)[C@@H]2O)[C@@H]2CCc3cc(O)ccc3[C@@H]12 13651528 ZWWDDMUDPYJUBF-HSXTZPDUSA-N 395.337 3.998 50 1 GHGF O=C1OC(=O)C2=C1[C@H](c1cccs1)C=C(c1cccnc1)N2c1ccncc1 73355805 LROWRALVPVZZDK-HNNXBMFYSA-N 387.420 3.521 50 1 GHGF COC(=O)[C@@]1(C)CCC[C@@]2(C)c3cc(OC)ccc3C(=O)[C@H](Br)[C@@H]12 82230516 VXNUYSOLTINORZ-FXECBMLZSA-N 395.293 3.892 50 1 GHGF O=C(N/N=C/c1ccc(O)cc1)c1cc(Cl)ccc1C(=O)NC1CCCCC1 103204127 GERNLILRKDGPBG-YDZHTSKRSA-N 399.878 3.872 50 1 GHGF CC(C)(C)N(NC(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1Cl 653857920 CDQIXDQNUSOLFP-UHFFFAOYSA-N 375.812 3.834 50 1 GHGF COc1ccc2c(c1OC)[C@](CBr)(c1cncs1)N(C)[C@@H](C)C2 962633993 PQMXEUUEITXAQK-GTNSWQLSSA-N 397.338 3.675 50 1 GHGF O=C(N/N=C/c1cccc(F)c1)c1nc(-c2cc3ccccc3oc2=O)cs1 1857553658 AAOPQGDDJYENTR-LSHDLFTRSA-N 393.399 3.820 50 1 GHGF O=C(N/N=C\c1ccccc1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 98083293 SBTFBNHLJUSOST-RMORIDSASA-N 383.810 3.893 50 1 GHGF COc1cc(C(=CC=O)c2ccc3c(c2)c(C=O)cn3C)cc(OC)c1OC 1857742101 XYBULASRKICWPI-UHFFFAOYSA-N 379.412 3.647 50 1 GHGF CCOC(=O)C(=O)[C@@H](Cl)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985028 DREOROPYEKCWOZ-SFHVURJKSA-N 395.798 3.564 50 1 GHGF C=C(C#N)NC(=O)[C@H](CC(C)C)NC(=O)c1cccc(Oc2ccccc2)c1 100729796 IMKJJPWMABPKTG-FQEVSTJZSA-N 377.444 3.777 50 1 GHGF COc1cc2c3c(c1)O[C@@](CBr)(COc1ccccc1)[C@@H](C2)C3=O 587415419 RWQGXQYDULANDH-KXBFYZLASA-N 389.245 3.655 50 1 GHGF C=C(C(=O)OC)[C@@H]1CC[C@]2(C)O[C@@H]2CC[C@](C)(OO)C=CC[C@@]2(C)O[C@@H]2C1 2356659412 BFAFHXDINGOVQJ-CBMYKLCHSA-N 380.481 3.806 50 1 GHGF CCCN[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCCl)CCCl 27851440 VNZOSEQCPJJMEU-HSZRJFAPSA-N 388.188 3.592 50 1 GHGF C=C(c1ccc(Cl)cc1)[C@H]1COC2(CCC(O)(CC(=O)OCC)CC2)OO1 44052999 AGSWMTIFUQMMIH-QHGAOEGBSA-N 396.867 3.655 50 1 GHGF COc1cc2c3c(c1)O[C@](CCl)(Cc1ccc(OC(C)=O)cc1)[C@@H](C2)C3=O 587416584 BJCWEJIINDQUJC-UWJYYQICSA-N 386.831 3.588 50 1 GHGF COc1ccccc1-c1cc(C(=O)N/N=C\c2cn(C)nc2C)c2ccccc2n1 13108853 ZCOOWZCPYHOYCW-CFRMEGHHSA-N 399.454 3.716 50 3 GHGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(O)cc1 95808481 HBUBKXIJKGIUBW-PXLXIMEGSA-N 383.448 3.527 50 1 GHGF CC[C@@H](OO)[C@@H]1C[C@@H]([C@@H]2C[C@@H](/C=C/CCCCCCC(=O)OC)OO2)OO1 231929761 HDHNZAODPDSIEW-WOASJOSUSA-N 388.457 3.503 50 1 GHGF CO[C@@]12CCN(C)C[C@H]1[C@H](c1ccc(-c3cccs3)cc1)C(C#N)=C(N)O2 299835050 LOBWKNYCRWNGSY-FBBABVLZSA-N 381.501 3.517 50 1 GHGF Nc1sc2c(c1C(=O)NNc1ccccc1)CCN(Cc1ccccc1)C2 53685049 YSTBBUBCBVJEAR-UHFFFAOYSA-N 378.501 3.646 50 1 GHGF NC(=O)COc1ccc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587496808 FTEFQPMNSQCKLB-QFIPXVFZSA-N 399.874 3.529 50 1 GHGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)C(F)F 587557437 RTGCJEYZWFLSPI-BLLLJJGKSA-N 385.160 3.753 50 1 GHGF CC=C[C@H](C[C@H](Br)[C@@H]1C[C@@H](Cl)[C@H](CC=CC#N)O1)OC(C)=O 2356802750 WJWKSDFHHIAJMV-LEOABGAYSA-N 390.705 3.883 50 1 GHGF [C-]#[N+]/C(=C/c1ccc(Nc2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)cc1)C(N)=O 1772570475 YPQGUJFRIZZCDT-OQLLNIDSSA-N 388.431 3.676 50 1 GHGF CCCn1cc(-c2cc(C(=O)NN)nn2Cc2ccc(F)cc2)c2ccccc21 73141203 PMYFNBRTDFAIBD-UHFFFAOYSA-N 391.450 3.706 50 1 GHGF O=[N+]([O-])c1ccc2nn(Cc3ccccc3)c(OCCBr)c2c1 653717119 PVJOFOWWCOSFEE-UHFFFAOYSA-N 376.210 3.767 50 1 GHGF Cn1cccc1CN1CCc2sccc2[C@]12CCCC(=O)[C@H]2Br 962398448 NOLQIATXJZRLLF-MSOLQXFVSA-N 393.350 3.857 50 1 GHGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1Cl 103175370 WVCWHLWGPAGHCS-ZFWWWQNUSA-N 394.645 3.841 50 1 GHGF CN(C)CCSSCCCNC(=O)c1ccccc1Br 618012681 WNYKTDMTLUGYSN-UHFFFAOYSA-N 377.373 3.512 50 1 GHGF O=C(Cl)c1ccc([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962661195 HRJKWIIHNAMTQK-XMSQKQJNSA-N 394.858 3.802 50 1 GHGF CC(=C(C#N)C(=O)NN)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1857584408 JQBZYVHGLOIKIX-FTLZCDAUSA-N 397.563 3.756 50 1 GHGF O=C(O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 26731682 QJLBOUDSUVHNPR-PSFUQVQASA-N 385.464 3.789 50 1 GHGF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCCCl)[C@@H]3CC[C@@H]12 40368841 OSAGKXBELTUPHH-WNGCJKCESA-N 389.967 3.989 50 1 GHGF CC(=O)OC[C@@H]1C(C=O)=CC[C@@H]2O[C@]2(C)C[C@H](O)[C@@H]1[C@@H](C)CCC=C(C)C 2356436626 UCDYQMDWYRMCHG-HJVCHBGASA-N 378.509 3.602 50 1 GHGF N#CC1=C(N)Oc2c(ccc3cnccc23)[C@@H]1c1cncc(Br)c1 40767397 HNHRTHRGCYMYRX-INIZCTEOSA-N 379.217 3.610 50 1 GHGF C[C@@]12CCC(=O)[C@](C)(CBr)[C@H]1CC[C@@]13C(=O)[C@H]4[C@H](C[C@H]12)[C@]4(C)C3=O 101080814 JJRIGHWQPWXRBY-YPUNNSSOSA-N 393.321 3.577 50 1 GHGF CCOC(=O)[C@@]1([C@H](C)Br)CC(=O)c2ccc3c(c2O1)CCCC3 587500070 QBHQRNWQXWMYFN-VOJFVSQTSA-N 381.266 3.616 50 1 GHGF O=C=Nc1c(F)cc(F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587892466 SPONMFYIDFSUOX-UHFFFAOYSA-N 395.192 3.949 50 1 GHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc3cn[nH]c3cc2[nH]1 587009778 RZNUNEPSYICLJY-SFHVURJKSA-N 392.850 3.559 50 1 GHGF CC1=C(C#N)[C@@H](c2cccc3c(=O)cc(C)oc23)C(C(=O)OC(C)C)=C(C)N1 115844885 KMSZTYADDFBBOT-HXUWFJFHSA-N 378.428 3.811 50 1 GHGF CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(OC)cc3)c21 5095159 BRFOPIIYDKBZLJ-SFHVURJKSA-N 388.427 3.702 50 1 GHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)CCl)c[nH]2)N1 587685515 RABVEIYNCWLIIP-PWJLMRLQSA-N 385.664 3.961 50 1 GHGF CC(=O)NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\NC(N)=O)C[C@H]21 473135304 HIKLTWBXEDFKJB-NFUBYCGNSA-N 398.551 3.786 50 1 GHGF COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(F)c1)[C@@H](C2)C3=O 587426485 CFDMRYINSIMKJA-KSSFIOAISA-N 377.209 3.872 50 1 GHGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H]([C@@H](Br)CC)C[C@@H]2Br 2356635482 ZZAINMHCOZIURO-WCBJTDJXSA-N 392.131 3.818 50 1 GHGF C=C1C(=O)O[C@H]2/C=C(\C)CC[C@H](OC(C)=O)[C@@]3(C)CC[C@H](OO3)/C(C)=C\C[C@@H]12 49872309 DCNHEHMOEMETOF-SNTVFBAHSA-N 390.476 3.962 50 1 GHGF Oc1nc(O)c2cc(CCCl)c(-c3ccc(Br)cc3)nc2n1 587366647 OFKQKBQAHWVZQY-UHFFFAOYSA-N 380.629 3.647 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CN(C)C(=O)N3)O2 587374645 ZDIRMAUODPLCKS-FQEVSTJZSA-N 385.851 3.654 50 1 GHGF Cc1ccc2cc([C@H]3C(C#N)=C(N)Oc4c3ccc3cccnc43)c(=O)[nH]c2c1 8578354 KZLQPKLIQJAUOZ-IBGZPJMESA-N 380.407 3.603 50 3 GHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(N4CCCC4=O)cc1)[C@@H](C2)C3=O 587416935 GPBQARITVWOCKW-JTSKRJEESA-N 397.858 3.704 50 1 GHGF Cc1nn(CCCl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541843 DKZSDDSZSGLPPR-XLIONFOSSA-N 384.819 3.839 50 1 GHGF COC(=O)C(C)(C)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587500104 QJJJCZMDHUBYQS-LJQANCHMSA-N 395.293 3.864 50 1 GHGF CC1(C)O[C@](C)([C@@H]2CC[C@]3(C)OC(=O)CC[C@@H]3O2)CC[C@H]1Br 2356793303 HECWWSBEMBBKGK-BCBCSNLJSA-N 375.303 3.741 50 1 GHGF N/C(=N\c1ccc(CCNC(=O)C[C@@H]2CCSS2)cc1)c1cccs1 13441942 OOMUWWRVWHQKMO-HNNXBMFYSA-N 391.587 3.988 50 1 GHGF C=C1C(=O)O[C@@H]2/C=C(\C)CC[C@@H](OC(C)=O)[C@]3(C)CC[C@@H](OO3)/C(C)=C\C[C@H]12 238773228 DCNHEHMOEMETOF-RQANUNEJSA-N 390.476 3.962 50 1 GHGF Cc1cc(C)cc(OCC(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c1 101640688 JUAMEHXZHYMTMB-MNDPQUGUSA-N 377.400 3.595 50 1 GHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Br)[C@@H](OC(C)=O)C=C[C@@H](CC)O1 2356785483 AGJWJXGLNWTDOA-XAJHFOFHSA-N 389.717 3.992 50 1 GHGF CC[C@H]1C=C[C@H]([C@@H]2C[C@@H]([C@@H](CCCCCCCC(=O)OC)OO)OO2)OO1 231929797 LWTWZXHNYOALAJ-PNKHAZJDSA-N 388.457 3.503 50 1 GHGF O=C(O)c1cc(Br)cc2nc(CCCCBr)[nH]c12 586972033 CGDGWZLRNSEOCK-UHFFFAOYSA-N 376.048 3.741 50 1 GHGF O=C(Cl)c1ccc([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962661193 HRJKWIIHNAMTQK-PGRDOPGGSA-N 394.858 3.802 50 1 GHGF O=C(NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21)c1ccncc1 13833448 WKOKKXZPVUENKN-UHFFFAOYSA-N 394.818 3.902 50 1 GHGF CN(C)CCSSCCN(C)C(=O)C(C)(C)Oc1ccc(Cl)cc1 618009998 NALJFCRINVAXEF-UHFFFAOYSA-N 391.002 3.899 50 1 GHGF N#CC1=C(N)Oc2n[nH]c(-c3ccc4ccccc4c3)c2[C@H]1c1cc(O)ccc1O 1772593192 RDESAZCNCGNWQC-IBGZPJMESA-N 396.406 3.859 50 1 GHGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)CCl)c([N+](=O)[O-])c1 587901969 CDIBMDRJSRGWIK-UHFFFAOYSA-N 379.199 3.834 50 1 GHGF C[C@@H](C(=O)NCCSSCCN(C)C)c1ccc(OC(F)(F)F)cc1 618009410 XNZDXFKBEUTXMU-GFCCVEGCSA-N 396.500 3.748 50 1 GHGF COc1ccc2c(c1)c([C@@]1(CCl)NCCc3nc4ccccn4c31)c(C)n2C 962989451 QCZKWWKUIULAJJ-JOCHJYFZSA-N 394.906 3.771 50 1 GHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Br)[C@H](OC(C)=O)C=C[C@H](CC)O1 2356785481 AGJWJXGLNWTDOA-VIQHNZTISA-N 389.717 3.992 50 1 GHGF CCN(CC)CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 43692905 LFCVCCZDBJKPAK-BPASCOCISA-N 383.529 3.553 50 1 GHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN3CCCCC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84712139 XNUDAGWTYSTTKY-MCGYWDJFSA-N 395.540 3.697 50 1 GHGF COc1cc(/C=C(\C#N)C(N)=O)cc(CSCc2ccccc2Cl)c1O 13833841 SOENYCXOSGATJG-MKMNVTDBSA-N 388.876 3.880 50 1 GHGF C/C=C/[C@@H]1C[C@H]([C@@H]2C[C@H]([C@@H](CCCCCCCC(=O)OC)OO)OO2)OO1 102183029 WBDZRMWZSZDXFJ-DDURNYIFSA-N 388.457 3.503 50 1 GHGF CN(C)CCSSCCNC(=O)Nc1nc(-c2ccccc2)cs1 621476342 BIXWVTPMFHCWPV-UHFFFAOYSA-N 382.580 3.875 50 1 GHGF Cc1cc2c(cc1O)[C@](c1c[nH]c3ccccc13)([C@H](C)Cl)N[C@H](C(=O)O)C2 963490612 LECYRVPKUBUDAP-OELQTJDKSA-N 384.863 3.652 50 1 GHGF COc1cc2c3c(c1)O[C@](C(=O)Cl)(c1c(C)[nH]c4ccccc14)[C@@H](C2)C3=O 587416602 BMKIVMUJWHYNHN-QKKBWIMNSA-N 381.815 3.893 50 1 GHGF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(OC)ccc3C(=O)[C@H](Br)[C@@H]21 17000587 VXNUYSOLTINORZ-IAAVTCLWSA-N 395.293 3.892 50 3 GHGF C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N/C1=C\C(=O)OCc1ccccc1 195173705 COCMXHGKPIHRBM-DEKNZBOESA-N 375.541 3.770 50 1 GHGF CCOC(=O)[C@H](Cl)[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545594 RTDZFSKUZDKECA-ZAAXVRCTSA-N 390.819 3.673 50 1 GHGF CC(=O)[C@H](Br)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587669490 DNPORSLAQBUUDQ-SQPCXJJOSA-N 379.067 3.516 50 1 GHGF COc1cc2c3c(c1)O[C@](CBr)(COc1ccccc1)[C@@H](C2)C3=O 587415418 RWQGXQYDULANDH-HNAYVOBHSA-N 389.245 3.655 50 1 GHGF CC1(C)O[C@](C)([C@@H]2CC[C@]3(C)OC(=O)CC[C@@H]3O2)CC[C@@H]1Br 2356793304 HECWWSBEMBBKGK-HLNSEHPISA-N 375.303 3.741 50 1 GHGF CC[C@]1([C@@H](Cl)C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587689997 YMAAKMSSQFEKQI-AFEMSUNCSA-N 378.669 3.508 50 1 GHGF N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCCn2cccn2)n1 13647798 BVIWLXVVBNPYRI-NBVRZTHBSA-N 375.461 3.585 50 1 GHGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@@H](Br)C[C@H]2Br 2356743125 DPWYAIMGBFGBCG-VRPMWHRCSA-N 392.131 3.818 50 1 GHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2c(Cl)ccnc2[nH]1 587009535 KGAVFMUYYSRYJD-AWEZNQCLSA-N 388.258 3.731 50 1 GHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cncc(Cl)c2[nH]1 587009544 KPUSUOLTANMJQV-AWEZNQCLSA-N 388.258 3.731 50 1 GHGF C=C1C(=O)O[C@H]2/C=C(\C)CC[C@H](OC(C)=O)[C@]3(C)CC[C@H](OO3)/C(C)=C\C[C@@H]12 140303776 DCNHEHMOEMETOF-SHMRLZHBSA-N 390.476 3.962 50 1 GHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1ccccc12 587838417 BEBGXFOMCKLXBW-WLRWDXFRSA-N 388.236 3.841 50 1 GHGF CO[C@H]1C[C@@]2(C)[C@@H](C[C@@H](Br)[C@@H]2O)[C@@H]2CCc3cc(O)ccc3[C@@H]12 5764577 FERUVNCWJYIAQM-RUOITVIXSA-N 381.310 3.608 50 1 GHGF COC(=O)c1ccc(NC(=O)/C(C#N)=C(\O)c2ccc(C(F)(F)F)cc2)cc1 100878058 UPDNWAJKUDAXSX-NXVVXOECSA-N 390.317 3.923 50 1 GHGF CC(=O)OC[C@@H]1C(C=O)=CC[C@@H]2O[C@]2(C)C[C@H](O)[C@H]1[C@@H](C)CCC=C(C)C 2356436627 UCDYQMDWYRMCHG-XKIZHHASSA-N 378.509 3.602 50 1 GHGF CC1=CCC[C@@]2(C)O[C@@H]([C@H](C)CCC1)[C@@H]1OC(=O)[C@@]3(OO)CCO[C@H]2C[C@@H]13 2356828579 IIEYUXOIXOZQQX-PGWLQFJSSA-N 380.481 3.639 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc([N+](=O)[O-])c1)O2 587375238 RVASGGVRXMGKDL-QGZVFWFLSA-N 391.221 3.741 50 1 GHGF COC(=O)C(=O)[C@H](Cl)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586992968 GVKOXPHOGAYGPE-QGZVFWFLSA-N 379.799 3.777 50 1 GHGF CC(C)(C)OP(=O)(OC(C)(C)C)[C@H](O)c1ccc(/C=C(\C#N)C(N)=O)cc1 1625422 KSQOVUNSTXWVOS-JMPLCFMRSA-N 394.408 3.893 50 1 GHGF COc1ccc(C(=O)N/N=C2/c3ccccc3-c3nc4ccccc4nc32)cc1O 103227539 UEMUCUGUXAJZCL-QLYXXIJNSA-N 396.406 3.507 50 1 GHGF CC(=O)N(C)Cc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587373917 UKPUKGALFUQJOM-NRFANRHFSA-N 386.879 3.655 50 1 GHGF COC1=COC(CCl)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587684782 MMDRFIHRGGWKBP-JDNHERCYSA-N 388.664 3.958 50 1 GHGF CC(C)[C@@H]1CC[C@H](O)[C@H]2[C@@H]3[C@](C)(O)C(=O)C=C[C@@]3(C)CC[C@]12CBr 141236400 REIJBRJPDFHYHQ-SAURGQTRSA-N 399.369 3.717 50 1 GHGF CC1=CCC[C@]2(C)O[C@@H]([C@H](C)CCC1)[C@@H]1OC(=O)[C@]3(OO)CCO[C@@H]2C[C@H]13 253863716 IIEYUXOIXOZQQX-RMDPYJRMSA-N 380.481 3.639 50 1 GHGF COc1ccc(/C(C)=N/OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c(OC)c1 101744261 KGZZWJMRBWZRRI-BXTCKQSKSA-N 392.415 3.814 50 1 GHGF COc1cc(C=C(C#N)C#N)cc(-c2cc(C=C(C#N)C#N)cc(OC)c2O)c1O 43938801 WWGYFDPJLPRUAS-UHFFFAOYSA-N 398.378 3.643 50 1 GHGF COCCn1c(C)cc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587417091 JEWHNZAVKHVPEZ-DYESRHJHSA-N 389.879 3.642 50 1 GHGF Cc1cccc2nc(-c3ccc(C(=O)N/N=C/c4ccc(O)c(O)c4)cc3)[nH]c12 299825203 DGENFJGMLOCDMR-FSJBWODESA-N 386.411 3.713 50 1 GHGF C=C(CBr)CC#CCNC(=O)Cc1ccc(Cl)cc1Cl 587875078 OFEVVYIPIKZWDO-UHFFFAOYSA-N 375.093 3.997 50 1 GHGF CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2cccc(OC)c2)c(C(=O)OC)c1 100849069 VNVNQFDJQZJISQ-HNENSFHCSA-N 380.400 3.833 50 1 GHGF C#C/C=C/C[C@@H]1O[C@H]([C@@H](Br)CC)C[C@@H](Br)[C@H]2C[C@H]1O2 254078661 QVSXXUNREJZJAN-ZCDHYXFGSA-N 392.131 3.818 50 1 GHGF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1CCCl 587685204 OIJCNESEPQWJJO-JDNHERCYSA-N 386.696 3.956 50 1 GHGF Cc1cc(-n2c(C)cc([C@@]3(CCl)NCCc4c(C(=O)O)cccc43)c2C)no1 963128462 AMBULFXJDWGXPU-NRFANRHFSA-N 399.878 3.717 50 1 GHGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586974707 YQJSVQBGPICWPL-JTQLQIEISA-N 386.249 3.941 50 1 GHGF COc1cccc(-c2cc(F)cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2)c1 587160271 OQCHRBVRTFBMEV-UHFFFAOYSA-N 376.391 3.648 50 1 GHGF COC(=O)[C@]1(CBr)c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963195631 PHQCRWQBVPUFCA-ICSRJNTNSA-N 399.288 3.573 50 1 GHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(NC(C)=O)cc1F)[C@@H](C2)C3=O 587425955 ITEOSBUTCRWFPI-MGPUTAFESA-N 389.810 3.674 50 1 GHGF N#C/C(=C1/Sc2c(nc[nH]c2=O)N1c1ccccc1)c1nc2ccccc2[nH]1 5724245 BFWKWJQXYDTOLH-MOSHPQCFSA-N 384.424 3.782 50 1 GHGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CCCCC[C@@H]2Br)N1 963236976 TWYSZLDLEWZGOG-JENIJYKNSA-N 389.293 3.757 50 1 GHGF O=C(N/N=C/c1ccc(Br)cc1)c1n[nH]c2c1Cc1ccccc1-2 1857587193 CGFFYWSJXZWBJR-KEBDBYFISA-N 381.233 3.507 50 1 GHGF CN(C)c1ccc([C@@H]2C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)cc1 64379481 DLVSAQAORXITNK-NRFANRHFSA-N 381.439 3.976 50 1 GHGF C[C@@H]1CC[C@H](N(NC(=O)OC(C)(C)C)c2nc(C#N)ncc2Br)C1 58575314 MNSIDRNNSLGBMP-MNOVXSKESA-N 396.289 3.545 50 1 GHGF Cc1ccc(/C=C2\CN(C)C[C@@H]3C(c4ccc(C)cc4)=C(C#N)C(=O)N[C@H]23)cc1 73403844 CTVVSFYHMWPGST-FGIBNMPPSA-N 383.495 3.724 50 1 GHGF O=C(N/N=C\c1cccnc1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 61970993 PQVVWBFGJPIWQJ-QRVIBDJDSA-N 378.819 3.751 50 1 GHGF COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(=O)[C@@H](C)Cl)cc1)[C@@H](C2)C3=O 587419786 ZOTHYRPGQKXDSK-BSPLBBPOSA-N 385.847 3.924 50 1 GHGF COc1cc2c3c(n(CCCCl)c(=O)c2cc1OC)-c1ccccc1C3=O 28711255 RBNJUOSLYWNDIY-UHFFFAOYSA-N 383.831 3.859 50 1 GHGF CCOC(=O)/C(C#N)=C(/Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1ccccc1 35967456 BSRMWUGJATZJDM-IWHJNQCMSA-N 380.404 3.656 50 1 GHGF N#C/C(=C\c1cccc(OCCN2CCOCC2)c1)c1noc2ccccc12 40810691 VSOQZFKHHUGFDD-NBVRZTHBSA-N 375.428 3.603 50 1 GHGF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](Br)C(=O)C3 586985712 JJSKXDKNMVASIX-QGZVFWFLSA-N 380.197 3.713 50 1 GHGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@H](OC(C)=O)[C@H]4C[C@@]3(C=C4C=O)CC[C@H]12 2356337152 QXNVDWGXUGYHNS-ACOSIKIGSA-N 388.504 3.849 50 1 GHGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1C=C[C@@](C)(O)[C@@H](O)CBr 2356797349 NVCPOLTZJQZLPD-UKTARXLSSA-N 396.163 3.805 50 1 GHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@H]3CC[C@@H](O)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101585961 BDVPLUOVTKCZSI-OFPFWQRYSA-N 382.497 3.515 50 1 GHGF CN(C)CCSSCCC(=O)Nc1ncccc1OCc1ccccc1 618008026 WNWJCQWDUZFAIP-UHFFFAOYSA-N 391.562 3.932 50 1 GHGF O=C(CCN1C(=O)c2ccccc2N[C@H]1c1ccccc1)N/N=C/c1ccccc1 1772652250 DZAUXYHZNRVZEC-QADUPLGGSA-N 398.466 3.794 50 1 GHGF COCCCOc1ccc(Nc2nccc(N3CCC(Cl)CC3)n2)cc1 1857554269 IBUWXRRVVKRWKO-UHFFFAOYSA-N 376.888 3.843 50 1 GHGF CC1(C)CC[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@@]12O 2356633438 YLSLVWQEQBOGHC-NVXDSCFRSA-N 396.483 3.513 50 1 GHGF C=C(C(=O)OC)[C@@H]1CC[C@]2(C)O[C@@H]2CC[C@](C)(OO)C=CC[C@]2(C)O[C@@H]2C1 2356659413 BFAFHXDINGOVQJ-DUWFINSESA-N 380.481 3.806 50 1 GHGF Cc1nnsc1C(=O)N/N=C/C1=Cc2ccccc2O[C@@H]1c1ccccc1 1772643635 PNTSSOWRQXVILV-AGKWGAAGSA-N 376.441 3.779 50 1 GHGF Cn1/c(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)sc2cc(F)cc(F)c21 101635483 SUTBHQRCWJUDAL-NKFKGCMQSA-N 377.460 3.666 50 1 GHGF C#C/C=C/C[C@@H]1O[C@H]([C@@H](Br)CC)C[C@H](Br)[C@H]2C[C@H]1O2 254078659 QVSXXUNREJZJAN-NUJBNQIDSA-N 392.131 3.818 50 1 GHGF O=C(NN=Cc1ccc(N(CCCl)CCCl)cc1Cl)c1cccnc1 263591262 QSEQKPVQNFUNRE-UHFFFAOYSA-N 399.709 3.783 50 3 GHGF COCCn1c(C)cc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587371529 GEFPSKKOLWJRTQ-FQEVSTJZSA-N 376.884 3.741 50 1 GHGF COc1ccc(OC)c2c1C[C@H](C)N[C@]21C(C=O)=COc2cc(C)c(Cl)cc21 963633402 HXHUNQDRNIPQOP-XMHCIUCPSA-N 399.874 3.919 50 1 GHGF O=C(N/N=C\c1ccccc1O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O 103287472 RFANGGNOCMWSSS-AQHIEDMUSA-N 399.809 3.598 50 1 GHGF CC1=CCC[C@@]2(C)O[C@H]([C@H]3OC(=O)[C@@]4(OO)CCO[C@H]2C[C@@H]34)[C@H](C)CCC1 2356828578 IIEYUXOIXOZQQX-NTPVPYKGSA-N 380.481 3.639 50 1 GHGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H]([C@@H](Br)CC)C[C@H]2Br 2356635476 ZZAINMHCOZIURO-JLZCTACVSA-N 392.131 3.818 50 1 GHGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@]2(CCCCC[C@H]2Br)N1 963236979 TWYSZLDLEWZGOG-YQVWRLOYSA-N 389.293 3.757 50 1 GHGF COc1ccc(NC(=O)c2cccc(NC(=O)[C@H](C)Br)c2)cc1 28954540 WRPONTGWJHIVJM-NSHDSACASA-N 377.238 3.669 50 1 GHGF C=CCSS/C=C/C[S@@](=O)CCCN1C(=O)c2ccccc2C1=O 40829613 JYSMMCQEFUGZQJ-KPZSNFNVSA-N 381.544 3.503 50 1 GHGF O=C(NCc1cn(-c2ccc3scnc3c2)nn1)Nc1cccc(CCl)c1 96908820 YIUFUTNFOCZASG-UHFFFAOYSA-N 398.879 3.938 50 1 GHGF C#CCN[C@H]1CCc2c(OCCOc3cccc(NC(=O)CCl)c3)cccc21 1857747689 KHCNTJLQAGROMN-FQEVSTJZSA-N 398.890 3.532 50 1 GHGF CC[C@@H](OO)[C@@H]1C[C@H]([C@@H]2C=C[C@H](CCCCCCCC(=O)OC)OO2)OO1 102183121 QAMDHRQSVQULEB-FLXSYLCISA-N 388.457 3.503 50 1 GHGF CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccccc2n1C 254133200 VAEKLLSIEDZGMM-UHFFFAOYSA-N 386.249 3.800 50 1 GHGF Clc1ncc(I)c2nc(/C=C\CBr)[nH]c12 586974229 SXUCLIPCEXFGGI-UPHRSURJSA-N 398.429 3.624 50 1 GHGF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1CCCl 587686371 UOZQGZUFLQYTQK-FVMDXXJSSA-N 386.696 3.956 50 1 GHGF N[P@](=O)(Oc1c(F)c(F)c(F)c(F)c1F)N(CCCl)CCCl 2028149 SBNOQRYKHZVHPI-QFIPXVFZSA-N 387.072 3.607 50 1 GHGF CCOC(=O)CC[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687757 HTSQKLRRTIMZGR-MGPLVRAMSA-N 392.696 3.900 50 1 GHGF O=S(=O)(c1ccc2nc(CCCCBr)[nH]c2c1)C(F)(F)F 586972408 PWILVEIZIDYUMT-UHFFFAOYSA-N 385.205 3.574 50 1 GHGF C[C@](Br)(CCl)[C@@H]1C[C@@H](O)[C@](C)(C(Cl)=CBr)O1 2356590339 KUMNGEFTSKDDEM-KATARQTJSA-N 396.934 3.762 50 1 GHGF CN1C(=O)C=C[C@@]2(C)[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#CCCCl 26002671 OSAGKXBELTUPHH-DJAYXGLKSA-N 389.967 3.989 50 1 GHGF Br[C@H]1C[C@H]2[C@H](C[C@@H](Br)C23CCCC3)C12OCCO2 169352500 DPMCCROLKIJMCL-YFKTTZPYSA-N 380.120 3.857 50 1 GHGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@]4(C(C)C)OO[C@@H](O4)[C@]34O[C@@H]4C[C@H]21 73386519 MZRIDUZEWYOSMJ-FBKCGWEPSA-N 380.481 3.580 50 1 GHGF COC1=COC(CCl)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587684781 MMDRFIHRGGWKBP-FVMDXXJSSA-N 388.664 3.958 50 1 GHGF C#CCC=C[C@@H]1O[C@@H]1C[C@H](Br)[C@@H]1C[C@H](Br)[C@@H](CC)O1 2356313088 RZSMWPNJSDYQTJ-RODWMJHOSA-N 392.131 3.818 50 1 GHGF COc1ccc(/C(=N\NC(C)=O)c2ccc3ccccc3c2)c(OC)c1OC 40976142 COIDHAYMPSXLDH-GFMRDNFCSA-N 378.428 3.754 50 1 GHGF CCOC(=O)c1cn(CCCCCCCCCI)nn1 473114036 LNNOXKWFDSKXRE-UHFFFAOYSA-N 393.269 3.621 50 1 GHGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccon4)c1C)[C@@H](C2)C3=O 587416716 CZCHDMDBDUPICW-HRAATJIYSA-N 398.846 3.972 50 1 GHGF COC(=O)[C@]1(CCCCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587685266 PCAFDJVYQQTFII-BJOHPYRUSA-N 378.669 3.510 50 1 GHGF C#CC=CC[C@@H]1O[C@@H]2C[C@H](Br)[C@H](CC)O[C@@H]2C[C@@H]1Br 2356740514 ONEBNODSYJNGPV-GXYBRJDSSA-N 392.131 3.818 50 1 GHGF C=C(CCCC(C)=O)[C@H]1C(=O)OCC(=CCCC(C)(C)OO)[C@H]1CC(=O)OC 2356817053 DHALAZDQAZFAPD-IEBWSBKVSA-N 396.480 3.629 50 1 GHGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@H](OC(C)=O)[C@H]4C[C@@]3(C=C4C=O)CC[C@@H]12 2356337153 QXNVDWGXUGYHNS-CZFZXOLSSA-N 388.504 3.849 50 1 GHGF Cc1c(/C=C(\C#N)C(=O)NCc2ccccc2)c2ccccc2n1CCN(C)C 40976602 VODMYCNHOKCXFV-HMMYKYKNSA-N 386.499 3.735 50 1 GHGF CC[C@@H](OO)[C@H]1C[C@@H]([C@@H]2C[C@@H](/C=C/CCCCCCC(=O)OC)OO2)OO1 231929767 HDHNZAODPDSIEW-IKXZIWQNSA-N 388.457 3.503 50 1 GHGF CC(=O)[C@H](Br)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587669489 DNPORSLAQBUUDQ-MYWNEDRFSA-N 379.067 3.516 50 1 GHGF COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)[C@H](C)Cl)cc1)[C@@H](C2)C3=O 587419791 ZOTHYRPGQKXDSK-VQDICGIKSA-N 385.847 3.924 50 1 GHGF COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(=O)[C@@H](C)Cl)cc1)[C@@H](C2)C3=O 587419787 ZOTHYRPGQKXDSK-DBLBYYFGSA-N 385.847 3.924 50 1 GHGF CC[C@H](Br)[C@@]1(c2ccccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414481 MKPYMRNQTUQMDK-WTANOLMUSA-N 388.261 3.907 50 1 GHGF O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(Br)c1 13864068 WQQVFQKQVBZONS-KEBDBYFISA-N 385.217 3.777 50 1 GHGF COc1ccc(-c2cc(C(=O)NN)n(Cc3ccc(C(C)(C)C)cc3)n2)cc1 28870692 RMFUIIGKLHYDKP-UHFFFAOYSA-N 378.476 3.508 50 1 GHGF COC(=O)[C@@]1(CCCCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326416 LIKNGEQXBHIEKI-PXNSSMCTSA-N 392.810 3.821 50 1 GHGF Cn1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587327599 QDXWBTFCPPEJAV-QUCCMNQESA-N 386.810 3.758 50 1 GHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc(O)c(O)c1 587542310 GNLJUCFNLNHMHV-WIYYLYMNSA-N 398.798 3.899 50 1 GHGF CCOC(=O)CC[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689272 RJPLCDHMNYHSGD-QLJPJBMISA-N 392.696 3.900 50 1 GHGF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)([C@@H](C)Br)CC2=O 587451250 JMMRVKYDSDWVBB-ADLMAVQZSA-N 399.281 3.785 50 1 GHGF Cc1[nH]nc2c1[C@@](c1cc(F)cc(-c3ccncc3)c1)(C(C)C)C(C#N)=C(N)O2 1772618004 VBNWKWMNDCERFF-JOCHJYFZSA-N 389.434 3.948 50 1 GHGF O=C(N/N=C(/N=N/c1ccccc1)c1ccccc1)c1cc(O)c(O)c(O)c1 1772656652 NVWFINNBGGSVDT-GOQCKXHESA-N 376.372 3.679 50 1 GHGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCCCCO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84757225 QKMRUWLVGZEJDC-RCQQOWRMSA-N 384.513 3.764 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C/N(C)C)N1 587688605 MMCJMOFADZDMMM-JWOSSTCJSA-N 386.696 3.526 50 1 GHGF CC[C@@](ONc1ccccc1C(F)(F)F)(C(=O)NN(C)C)c1ccccc1 36387716 YLGKARHVSZXTQV-SFHVURJKSA-N 381.398 3.947 50 3 GHGF Cc1ccc(O)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1 95808261 PVCDXLBPYZQKPK-HZHRSRAPSA-N 397.475 3.836 50 1 GHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Cl)[C@H](O)C[C@H]([C@H](Br)CC)O1 2356686946 YHVFINYCOUVCNK-FSKVPOERSA-N 384.141 3.863 50 1 GHGF C=C1C(=O)O[C@H]2/C=C(\C)CC[C@H](OC(C)=O)[C@]3(C)CC[C@H](OO3)/C(C)=C/C[C@@H]12 238747580 DCNHEHMOEMETOF-GPJINGMOSA-N 390.476 3.962 50 1 GHGF COc1ccc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)c(F)c1 587385348 NIWFAYNTSGMCDE-GOSISDBHSA-N 394.240 3.981 50 1 GHGF O=C(CCl)Nc1ccc(Cl)cc1NS(=O)(=O)c1c(F)cccc1F 43066978 DPPUDHFPZYTGIV-UHFFFAOYSA-N 395.214 3.596 50 1 GHGF CCc1ccc(N2C=C(C(=O)OC)[C@H](c3ccc(OC)cc3)C(C#N)=C2N)cc1 95566656 YZEDKQBYMAVVMJ-OAQYLSRUSA-N 389.455 3.612 50 3 GHGF O=C1OC(=O)c2cc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)ccc21 586907851 OABJKDXKQTYBFM-UHFFFAOYSA-N 379.116 3.581 50 1 GHGF O=C(N/N=C/c1ccc(Br)cc1)c1[nH]nc2c1Cc1cc(F)ccc1-2 1857583575 FTRMNQXKIZUDIU-ZVBGSRNCSA-N 399.223 3.646 50 1 GHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CN(C)C(C)=O)cc1)[C@@H](C2)C3=O 587417994 QXEMLRZVENYVNN-AVRDEDQJSA-N 399.874 3.555 50 1 GHGF COc1cc2c3c(c1)O[C@](/C(C#N)=C/N(C)C)(c1ccccc1Cl)[C@@H](C2)C3=O 587420557 QGSWIQPRTFXRPJ-OBOWZKSISA-N 394.858 3.961 50 1 GHGF CCOC(=O)[C@H](Cl)[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687772 HWWMKMQBLXLCLZ-AUYAEMIRSA-N 392.696 3.898 50 1 GHGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C/N(C)C)N1 587687349 GCBFQSNBTANTGS-JWOSSTCJSA-N 386.696 3.526 50 1 GHGF O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)OCCCO2 1772647369 DGHCBRIMRZCILO-AWQFTUOYSA-N 381.215 3.624 50 1 GHGF C[C@@H]1CC[C@H]2[C@H](CCC(=O)C(C)(C)C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 103106683 BYOJDZPLHMDEDH-SSOBAWLVSA-N 380.481 3.770 50 1 GHGF Cc1cc(-c2nc3cc(C(=O)NN)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878658 IIUSVDBYMXHEJO-UHFFFAOYSA-N 386.411 3.507 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CCCC(=O)N3)O2 587372518 MBXDGACQVIXQLL-OAQYLSRUSA-N 384.863 3.952 50 1 GHGF CCOC(=O)[C@H](Cl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587689553 UIGYMCJOQCKXQC-ZBVHDKTDSA-N 378.669 3.508 50 1 GHGF COc1ccc(-c2ccc(C(=O)NCCSSCCN(C)C)o2)cc1 618008536 HZOPUXRYHWGORR-UHFFFAOYSA-N 380.535 3.628 50 1 GHGF C/C(NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)=C1/C=CC=CC1=O 103993493 GYWOTOUISPYLPJ-BMRADRMJSA-N 382.423 3.500 50 3 GHGF CSC(=S)O[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)(C)O[C@H]21 195772737 FPMWPZCUVFMELL-QNWHQSFQSA-N 394.631 3.918 50 1 GHGF NC(=O)N1CCc2sccc2[C@]1(CCl)c1ccc(Br)cc1 962710191 LKEXHDNMADYVSG-HNNXBMFYSA-N 385.714 3.930 50 1 GHGF N/C(=N\c1ccc(CCNC(=O)C[C@H]2CCSS2)cc1)c1cccs1 13441945 OOMUWWRVWHQKMO-OAHLLOKOSA-N 391.587 3.988 50 1 GHGF CC[C@@H]1C=C[C@@H]([C@@H]2C[C@H]([C@@H](CCCCCCCC(=O)OC)OO)OO2)OO1 102183109 LWTWZXHNYOALAJ-SFFUCWETSA-N 388.457 3.503 50 1 GHGF O=[N+]([O-])c1ccc([C@@H]2CCO[P@@](=O)(N(CCCl)CCCl)O2)cc1 44032005 SQXCFVXTKBWXDG-NPMABZOXSA-N 383.168 3.961 50 1 GHGF CCOP(=O)(OCC)[C@H](N/C(SC)=C(/C#N)C(=O)OC)c1ccccc1 103212473 LBGROXBJVQECJY-IDTYTIONSA-N 398.421 3.812 50 1 GHGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21C(C=O)=COc2cc(C)c(Cl)cc21 963633398 HXHUNQDRNIPQOP-WHEQGISXSA-N 399.874 3.919 50 1 GHGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)C(C)(C)C(=O)N4)[C@@H](C2)C3=O 587420779 ITZSCSFDTRHXTQ-OYHNWAKOSA-N 397.858 3.807 50 1 GHGF COC(C)(C)[C@@H](Br)c1nc2cc(Br)c(C)nc2[nH]1 586971722 WTQHRVRWCDDTGI-VIFPVBQESA-N 377.080 3.890 50 1 GHGF COc1cc2c(cc1OC)[C@]1(C=C(C(=O)Cl)Oc3ccccc31)N(C)[C@@H](C)C2 962619708 FTDQKLOKEWEEAI-WHEQGISXSA-N 399.874 3.866 50 1 GHGF CC(=O)c1ccc2c(c1)[C@@](C)(CCCl)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962621429 JQOJIYYYVAECRL-OXJNMPFZSA-N 395.883 3.980 50 1 GHGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@@H](OC(C)=O)[C@H]4C[C@@]3(C=C4C=O)CC[C@@H]12 2356337155 QXNVDWGXUGYHNS-TUHOMFDXSA-N 388.504 3.849 50 1 GHGF C#CC=CC[C@H](Br)[C@@H]1C[C@@H]2O[C@H]([C@H](Br)CC)C[C@@H]2O1 2356792223 JLVBZCAWMKVCPP-XZBVAUNFSA-N 392.131 3.818 50 1 GHGF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2[C@H](Br)C(C)C 963192228 QNDHKSADHBSGFQ-MSOLQXFVSA-N 398.341 3.816 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOC[C@H]2Br)N1 587679886 HMHIESRBUSKPJY-XPLICSAQSA-N 393.094 3.502 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)CCl)c[nH]2)N1 587683337 GOJVYBOJQZWKFB-BCTVWOGZSA-N 385.664 3.961 50 1 GHGF C/C=C/[C@H]1C[C@@H]([C@@H]2C[C@H]([C@@H](CCCCCCCC(=O)OC)OO)OO2)OO1 102183040 WBDZRMWZSZDXFJ-HDNUKALESA-N 388.457 3.503 50 1 GHGF CC(=O)N[C@@H](C)c1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587374516 YRTUUXUHYVGOGO-YEJXKQKISA-N 386.879 3.874 50 1 GHGF CC(=O)[C@H](Br)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587669491 DNPORSLAQBUUDQ-UAMTVZLOSA-N 379.067 3.516 50 1 GHGF CS(=O)(=O)N1CCC2(CC1)OOC1(CCCCCCCCCCC1)OO2 43620339 GXRRSYKMFSMHFI-UHFFFAOYSA-N 391.530 3.649 50 1 GHGF C[C@](Br)(CCl)[C@@H]1C[C@H](O)[C@](C)(/C(Cl)=C/Br)O1 98082337 KUMNGEFTSKDDEM-HWMYAHKASA-N 396.934 3.762 50 1 GHGF CO[C@]1(C)[C@@H](Br)CC[C@@]2(C)[C@@H]3C[C@H]4[C@H]5C(=O)[C@@]3(CC[C@@H]21)C(=O)[C@@]45C 101081094 BWWGHGDHEMDDPB-ZVZASVRUSA-N 395.337 3.776 50 1 GHGF COc1cc2c(cc1OC)[C@@]1(C=C(C(=O)Cl)Oc3ccccc31)N(C)[C@@H](C)C2 962619711 FTDQKLOKEWEEAI-XMHCIUCPSA-N 399.874 3.866 50 1 GHGF CC(C)c1ccccc1OS(=O)(=O)c1ccc(NC(=O)NCCCl)cc1 473151550 QEYRBJOVJSTZPA-UHFFFAOYSA-N 396.896 3.938 50 1 GHGF COc1cc2c3c(c1)O[C@](CCCl)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O 587421991 OMXCTNKRAQEFOI-YCRPNKLZSA-N 386.831 3.738 50 1 GHGF CCOCCNc1nc(SC)nc2c1cnn2C[C@@H](Cl)c1ccccc1 13589895 VXQQMISKEQNIMY-OAHLLOKOSA-N 391.928 3.977 50 1 GHGF CC(C)(C)C(=O)Nc1ccc(Cl)cc1C(=O)NNCc1ccc(F)cc1 103208603 BGOHIFGEKWFPAW-UHFFFAOYSA-N 377.847 3.898 50 1 GHGF CC(=O)NCc1ccc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587496811 FTGIKRRUJPLQJJ-OAQYLSRUSA-N 387.863 3.894 50 1 GHGF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1/C=N/NC(=O)Nc1ccccc1 26731685 QJLBOUDSUVHNPR-NXBWNPPGSA-N 385.464 3.789 50 1 GHGF Br[C@H]1C[C@H]2[C@H](C[C@H](Br)C23OCCO3)C12CCCC2 169352503 DPMCCROLKIJMCL-BJDJZHNGSA-N 380.120 3.857 50 1 GHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C#N)cc1)[C@@H](C2)C3=O 587411602 FLWLYAPRAODAQV-HNAYVOBHSA-N 384.229 3.605 50 1 GHGF CCc1ccc2c(c1)[C@]1(C(C=O)=CO2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962639406 WAPZRYKQPBGRKX-MYYSRTQBSA-N 393.483 3.861 50 1 GHGF CC(=NNC(=O)c1ccccc1)c1c(O)n(-c2ccccc2)c2ccccc2c1=O 2356854921 QXHQUOLNUMUVCL-UHFFFAOYSA-N 397.434 3.850 50 1 GHGF CC(=O)NCc1ccc([C@@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)s1 587412145 XLSCZTWTWWTOIV-WYRIXSBYSA-N 392.908 3.763 50 1 GHGF COc1cccc2c3c(cnc12)CCN[C@@]3(C)[C@@H](Cl)C(=O)Nc1ccccc1 963072272 YDDBLRSARWEMCE-RBBKRZOGSA-N 395.890 3.850 50 1 GHGF C[C@H]1CCC[C@H]1N(NC(=O)OC(C)(C)C)c1nc(C#N)ncc1Br 58575311 MAXKBRIWBQSWBN-CMPLNLGQSA-N 396.289 3.545 50 1 GHGF COC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587371538 GLDGUYAUYMAXHO-MPBGBICISA-N 390.867 3.797 50 1 GHGF CCOC(=O)C[C@@H]1OO[C@](C=C(CC)[C@H](OC)[C@@H](O)CC)(CC)C[C@@H]1CC 2356793864 KTRPUVJBNXKUSZ-NMKBPFOZSA-N 386.529 3.957 50 1 GHGF C=C(CCCC(C)=O)[C@H]1C(=O)OCC(=CCCC(C)(C)OO)[C@@H]1CC(=O)OC 2356817055 DHALAZDQAZFAPD-PKOBYXMFSA-N 396.480 3.629 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(N3CCCC3=O)cc1)O2 587374387 XNNVDICYYZHALH-NRFANRHFSA-N 384.863 3.804 50 1 GHGF COC(=O)c1cnc2c(cnn2C[C@@H](Cl)c2ccccc2)c1N1CCCC1 13675416 MPVRWJXREOGINS-QGZVFWFLSA-N 384.867 3.798 50 1 GHGF CC(C)CCn1c(O)c(C(=O)N/N=C\c2cccc(F)c2)c(=O)c2ccccc21 33921623 RWFFAEXEWWJETQ-CFRMEGHHSA-N 395.434 3.656 50 1 GHGF CCCCC[C@H]1C2=C(CCC3=C(C[C@H]1CCCC)C(=O)OC3=O)C(=O)OC2=O 85869977 LCWOOBCFNMICPG-ZIAGYGMSSA-N 388.460 3.933 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1c[nH]c3ncccc13)O2 587376992 ZLULKCLPQBAAQH-SFHVURJKSA-N 386.249 3.709 50 1 GHGF Cc1nn(CCCl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541783 DKZSDDSZSGLPPR-PXNSSMCTSA-N 384.819 3.839 50 1 GHGF COc1ccccc1[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587373723 NHPDBYKYLZDZDI-GOSISDBHSA-N 376.250 3.841 50 1 GHGF O=C1[C@@H]2SS[C@@H](C(=O)N2Cc2cccc(Cl)c2)N1Cc1ccccc1 1857563137 KUZSQXVEXCAJAS-ROUUACIJSA-N 390.917 3.758 50 1 GHGF CC[C@H](OO)[C@@H]1C[C@H]([C@@H]2C=C[C@H](CCCCCCCC(=O)OC)OO2)OO1 102183115 QAMDHRQSVQULEB-KFGODFMUSA-N 388.457 3.503 50 1 GHGF COc1cc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1O 73173843 JDOKOIZTWBNRIZ-UCQKPKSFSA-N 376.412 3.840 50 1 GHGF CCOc1ccccc1C(=O)N(NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C 103197569 RJWJXEJKFOKTEA-UHFFFAOYSA-N 385.420 3.579 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(C(=O)O)c1)O2 587376854 YGRCSUDWIDEUQL-GOSISDBHSA-N 390.233 3.531 50 1 GHGF O=C=Nc1c(F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F 587891602 BQQMLYABUMNOEM-UHFFFAOYSA-N 395.192 3.949 50 1 GHGF N#CC1=C(N)Oc2n[nH]c(-c3ccc4ccccc4c3)c2[C@@H]1c1cc(O)ccc1O 1772593194 RDESAZCNCGNWQC-LJQANCHMSA-N 396.406 3.859 50 1 GHGF COc1ccc([C@H]2C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)cc1OC 58583613 PDKCCQXZSPZKOE-OAQYLSRUSA-N 398.422 3.928 50 1 GHGF CN(/N=N/c1nc(OCc2ccccc2)c2nc[nH]c2n1)C(=O)c1ccccc1 5801363 FTQVBRVAYJLSCO-OCEACIFDSA-N 387.403 3.703 50 1 GHGF CC(C)OP(=O)(OC(C)C)[C@@H]1C(C#N)=C(N)Oc2ccc([N+](=O)[O-])cc21 103249376 OGOZWMAAMIBWKX-HNNXBMFYSA-N 381.325 3.765 50 1 GHGF NNC(=O)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587148270 AIMWQKXREBZUFY-LJQANCHMSA-N 375.407 3.507 50 1 GHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccnc(Cl)c2[nH]1 587009407 DRDUYZKSMKPVAH-AWEZNQCLSA-N 388.258 3.731 50 1 GHGF N#Cc1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587009556 KXJSSHLMOFJZIH-SFHVURJKSA-N 377.835 3.555 50 1 GHGF CN(C)CCSSCCNC(=O)c1cc(-c2ccc(F)cc2)ccc1O 621477339 GETVLFNPCGQORO-UHFFFAOYSA-N 394.537 3.871 50 1 GHGF C#CC=CC[C@H](Cl)[C@@H]1C[C@H](Br)[C@H](OC(C)=O)C=C[C@@H](CC)O1 2356785480 AGJWJXGLNWTDOA-HMDCTGQHSA-N 389.717 3.992 50 1 GHGF Cc1n[nH]c2c1[C@@H](c1cccc(OCc3ccc(F)cc3)c1)C(C#N)=C(N)O2 4167614 UPHCEZNMFVFZTH-IBGZPJMESA-N 376.391 3.654 50 1 GHGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 586973238 GYQCMRAYAIHKOQ-LLVKDONJSA-N 383.253 3.585 50 1 GHGF COc1c(F)cccc1[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587380968 DLKYFCVKUJOMLI-GOSISDBHSA-N 394.240 3.981 50 1 GHGF CC(=O)Nc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c(F)c1 587384838 JOJCBWQTTJIVFU-IBGZPJMESA-N 376.815 3.774 50 1 GHGF CCOP(=O)(C[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1)OCC 587409777 UCVVPRCQAHJEFW-INIZCTEOSA-N 375.789 3.786 50 1 GHGF COc1cc2c3c(c1)O[C@H](c1ccc(OCCBr)cc1)[C@@H](C2)C3=O 587412923 KJDTXSTXVCZHPA-HNAYVOBHSA-N 389.245 3.958 50 1 GHGF CCn1cc(C(=O)N/N=C/c2cccc3ccccc23)c(=O)c2ccc(C)nc21 103219614 JTCYMOCPVNVQAM-ZMOGYAJESA-N 384.439 3.642 50 1 GHGF CCSc1nc2sc3c(c2c2[n+]1C[C@H](CBr)O2)CCCC3 1300926 JFPVVYBTNGNKAN-VIFPVBQESA-N 386.360 3.731 50 3 GHGF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(C#N)=CC[C@@H]12 40631351 YNVISGSPVUNYCK-ZDWTUXFCSA-N 386.517 3.747 50 1 GHGF C[C@@H]1CC[C@H]2[C@@H](CCCC(F)(F)F)[C@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43872100 CRTAXNMFURFSIL-TVCAZPDLSA-N 380.403 3.899 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(C2CCOCC2)N1 587686787 XLKBSYJWFJCURY-HWPZZCPQSA-N 376.697 3.983 50 1 GHGF COc1ccccc1[C@]1(CCCCl)NCCc2ccc(C(=O)N(C)C)cc21 962930535 YLVJJZOTRKTWBK-QFIPXVFZSA-N 386.923 3.805 50 1 GHGF O=C(O)[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8829568 OTOBBGDDRIPQTN-VSKRKVRLSA-N 391.407 3.967 50 1 GHGF N#Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)cc1 221321379 ZEBREDZWUTZDPB-BRJLIKDPSA-N 377.350 3.973 50 1 GHGF CCOCCOC(=O)/C(C#N)=C(\NNc1ccc(Cl)cc1Cl)C(C)C 40835765 YDUMSRAOBNAHGZ-SSZFMOIBSA-N 386.279 3.923 50 1 GHGF CCc1ccccc1OS(=O)(=O)c1cccc(NC(=O)NCCCCl)c1 95557117 VCSJGRMEOWOPDM-UHFFFAOYSA-N 396.896 3.767 50 1 GHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc([C@H](C)NC(C)=O)cc1)[C@@H](C2)C3=O 587419691 XUIVPNNUOPRKDA-WHECPESLSA-N 399.874 3.774 50 1 GHGF CN(C)CCSSCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1 618012472 IEKLKUCYVBVGFQ-UHFFFAOYSA-N 382.382 3.639 50 1 GHGF COc1ccc2c(c1)O[C@H](C)[C@H]1C=C(C=O)[C@@H](C)[C@]3(C(=O)Nc4ccccc43)[C@H]21 1772636819 CSMOXJZSPGIYJP-HGFFMKFQSA-N 389.451 3.841 50 1 GHGF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)N(CCCl)C(=O)CO2 587909438 WDXBPOVFYKGOGC-UHFFFAOYSA-N 376.239 3.713 50 1 GHGF O=C(N/N=C/c1ccc(Br)cc1O)c1ccc(OC(F)F)cc1 1857564368 SKOWWFGENWRSQC-UFWORHAWSA-N 385.164 3.520 50 1 GHGF CN(C)CCSSCCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 618012560 PIQZADBBVZHYGO-UHFFFAOYSA-N 391.002 3.947 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(=O)CBr)ccc1O)O2 587375240 RVXREMOLMMUMES-KRWDZBQOSA-N 390.233 3.567 50 1 GHGF COc1ccc([C@@H]2NCCc3c2c(C(C)C)nn3C)cc1OCCCCl 962914011 CGKHWNDNKBCZCW-FQEVSTJZSA-N 377.916 3.795 50 1 GHGF Cc1ccccc1S(=O)(=O)NNC(=O)c1ccc2oc3ccccc3c2c1 36184822 ZBOGPXKPVPRTSU-UHFFFAOYSA-N 380.425 3.518 50 1 GHGF Cc1ccccc1OS(=O)(=O)c1cccc(NC(=O)NCCCCl)c1 95556063 YQJAFKPPWLCHCM-UHFFFAOYSA-N 382.869 3.513 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CCC(=O)N3C)O2 587372866 NHSFLEAJDVJNEV-OAQYLSRUSA-N 384.863 3.586 50 1 GHGF CCOC(=O)[C@H](Cl)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689892 XRAAERLMIMVYRZ-MIUALZABSA-N 378.669 3.508 50 1 GHGF COc1cc2c3c(c1)O[C@@](c1ccc(NC(C)=O)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O 587418620 UMUKCGJUKLTFSF-HPIXMPJWSA-N 385.847 3.924 50 1 GHGF COc1cccc2c3c(cnc12)CCN[C@]3(C)[C@@H](Cl)C(=O)Nc1ccccc1 963072273 YDDBLRSARWEMCE-UNMCSNQZSA-N 395.890 3.850 50 1 GHGF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2[C@@H](Br)C(C)C 963192237 QNDHKSADHBSGFQ-ZWKOTPCHSA-N 398.341 3.816 50 1 GHGF CC1=CCC[C@@]2(C)O[C@H]([C@H]3OC(=O)[C@]4(OO)CCO[C@H]2C[C@@H]34)[C@H](C)CCC1 2356828577 IIEYUXOIXOZQQX-NRTRYIRGSA-N 380.481 3.639 50 1 GHGF CC(C)[C@@H]1CC=C[C@@H]2[C@@H]3[C@](C)(O)C(=O)C[C@H](O)[C@@]3(C)CC[C@@]12CBr 2356535158 ZKYQFPARPNOWGE-VSVUENFPSA-N 399.369 3.717 50 1 GHGF CC(C)[C@@H]1CC=C[C@H]2[C@@H]3[C@](C)(O)C(=O)C[C@@H](O)[C@@]3(C)CC[C@]12CBr 142641248 ZKYQFPARPNOWGE-DONSJTAYSA-N 399.369 3.717 50 1 GHGF COC(C)(C)[C@@H](Br)c1nc2ccc(Br)c(O)c2[nH]1 586970869 LFNMOVQMOSIERH-JTQLQIEISA-N 378.064 3.892 50 1 GHGF CC(=O)N1c2ccc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)cc2C[C@H]1C 587371860 HIKOYQUQDKSJPI-MCMMXHMISA-N 398.890 3.974 50 1 GHGF O=C(CBr)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1O 299863073 KNMDTJQEAYPHQP-OAHLLOKOSA-N 377.213 3.604 50 1 GHGF COc1ccc(Cl)cc1C#Cc1ccc(OCc2ccc(C(=O)NN)o2)cc1 587907315 KDCXISFUSJJNKG-UHFFFAOYSA-N 396.830 3.524 50 1 GHGF N#CC1=COc2ccc(F)cc2[C@@]12c1c(Cl)ccc3c1CCN2[C@@H]3C(=O)O 962574179 PGQYOYAFKNUDQA-AZUAARDMSA-N 382.778 3.520 50 1 GHGF N#CC1=C(N2C(=O)CCC2=O)Oc2c(ccc3ccccc23)[C@@H]1c1cccnc1 38896348 DYZCISMGJIGFDY-NRFANRHFSA-N 381.391 3.643 50 1 GHGF Nc1cccc(C(=O)N/N=C2\c3cc(Cl)ccc3C(=O)[C@H]3C=CC=C[C@@H]23)c1 103194040 JKQVGXSXQYCQTC-NXKOUYSWSA-N 377.831 3.611 50 1 GHGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cn(C)nc1C)CC2=O 587457204 WHWMEAHOPAXVRI-GOSISDBHSA-N 393.281 3.642 50 1 GHGF O=C1C[C@]2(CC=Cn3c2nc(CCl)cc3=O)Oc2c1ccc1c2CCCC1 587498804 OQPWBBSENIXWJQ-NRFANRHFSA-N 382.847 3.596 50 1 GHGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)C(F)F 587557440 RTGCJEYZWFLSPI-WBMJQRKESA-N 385.160 3.753 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc([N+](=O)[O-])cc1)O2 587372577 JUOXZUZGOWLCIK-QGZVFWFLSA-N 391.221 3.741 50 1 GHGF COc1ccc2c(c1)C[C@H](Br)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587373813 SXMNHJJOMSNHNI-PKOBYXMFSA-N 388.261 3.766 50 1 GHGF O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1/N=C/CCn1nnc2ccccc21 66258627 STXAJWKQXUAVHL-CZNNXAQKSA-N 388.258 3.652 50 1 GHGF Cc1ccc(-c2c(Cl)c(CCl)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 473099704 HGDANNJQRKVLNZ-UHFFFAOYSA-N 396.299 3.887 50 1 GHGF COc1ccc(Cl)cc1C#Cc1ccc(OCCN(C)C(=O)CCl)cc1 587907251 IMTVRGJEQSHZAI-UHFFFAOYSA-N 392.282 3.824 50 1 GHGF COc1cc(/C(=N/NC(C)=O)c2ccc3ccccc3c2)cc(OC)c1OC 40919156 GXZVBZYILUFIEV-DARPEHSRSA-N 378.428 3.754 50 1 GHGF C#C/C=C\C[C@@H](Cl)[C@H]1C[C@H](Cl)[C@@H](O)[C@@H](CBr)[C@H](CC)O1 238782225 MFEVKEHDTZDLJG-WWVNFOFBSA-N 384.141 3.720 50 1 GHGF C#CC=CC[C@@H]1O[C@@H]2C[C@H](Br)[C@H](CC)O[C@H]2C[C@@H]1Br 2356740517 ONEBNODSYJNGPV-WCBJTDJXSA-N 392.131 3.818 50 1 GHGF COc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2)c1 653890272 KEHDQRKISUDAIV-OEAKJJBVSA-N 376.412 3.744 50 1 GHGF COc1ccc(Cl)cc1C#CC1=CN/C(=C(\C#N)C(=O)OC(C)(C)C)C=C1 587912471 JFDPGJKXFUIKER-ISLYRVAYSA-N 382.847 3.863 50 1 GHGF COc1cc2c3c(c1)O[C@@H](c1cccc(OCCBr)c1)[C@@H](C2)C3=O 587414476 VVBMFXPKTDWDMK-KXBFYZLASA-N 389.245 3.958 50 1 GHGF CC[C@]1(CCCC(=O)Cl)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962634935 NACKEZDMDXUGSX-MEDUHNTESA-N 393.789 3.725 50 1 GHGF C=C1C(=O)O[C@H]2/C=C(/C)CC[C@H](OC(C)=O)[C@@]3(C)CC[C@H](OO3)/C(C)=C/C[C@@H]12 169290770 DCNHEHMOEMETOF-JJRULWHWSA-N 390.476 3.962 50 1 GHGF C[C@](O)(CBr)C(=O)Nc1ccc(N=C=S)c(C(F)(F)F)c1 27209964 QGJIAJZOIBHHAZ-NSHDSACASA-N 383.189 3.524 50 1 GHGF N#C/C(=C\c1cc(OCc2ccccc2)c(OCc2ccccc2)cn1)C(N)=O 12971185 TVEJEALDXDXDSX-YBFXNURJSA-N 385.423 3.632 50 1 GHGF Cc1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccccc2)c1 13779066 JVQSJILWYUUFMP-UHFFFAOYSA-N 385.427 3.843 50 1 GHGF O=[N+]([O-])c1cccc([C@H]2CCN[P@@](=O)(N(CCCl)CCCl)O2)c1 27526773 IQFUBSCQEDWPMA-ZLOXQWCVSA-N 382.184 3.534 50 1 GHGF CCOC(=O)c1[nH]c(C)c([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1C 587370781 BRYXJBBXQVKXSE-HXUWFJFHSA-N 390.867 3.798 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)C(C)(C)C(=O)N3)O2 587372031 JCARBCVOHWJEKQ-NRFANRHFSA-N 384.863 3.906 50 1 GHGF CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)c4ccccc4)[C@]13OO2 101267444 NMQWAJYVBNLOLN-OHNKGQGDSA-N 376.449 3.850 50 1 GHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(C2CCOCC2)N1 587687302 ZSOWWXGRDXMJQY-QFYYESIMSA-N 376.697 3.983 50 1 GHGF C[C@H]1CC[C@@H](N(NC(=O)OC(C)(C)C)c2nc(C#N)ncc2Br)C1 64361312 MNSIDRNNSLGBMP-WDEREUQCSA-N 396.289 3.545 50 1 GHGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](CCCl)(c2cccc(F)c2)N1 963228677 SXKSUIOHKAROPC-CTNGQTDRSA-N 384.838 3.845 50 1 GHGF CCOC(=O)[C@@H]1CCCN(C/C(O)=C(\C#N)c2nc(-c3ccccc3)cs2)C1 101966609 XSXCSYAHZMXMRV-CWFNNOHCSA-N 397.500 3.878 50 1 GHGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2ccc(F)c(F)c2)ccc1C(=O)O 219894959 HAVXXVSUMXEJHH-BHGWPJFGSA-N 397.381 3.834 50 1 GHGF CC(=O)N[C@H](C)c1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1 587374515 YRTUUXUHYVGOGO-LRTDBIEQSA-N 386.879 3.874 50 1 GHGF Cc1ccc(-c2cc(C(=O)NN/C=C3\C(=O)C=Cc4ccccc43)[nH]n2)cc1C 137249283 BKOSDEWJGZQMGN-UYRXBGFRSA-N 384.439 3.565 50 3 GHGF CC(C)(C)OC(=O)NNC(=O)N1C[C@H](CCl)c2c1cc(O)c1ccccc21 27647365 CMFPGTXAVKCDFA-NSHDSACASA-N 391.855 3.837 50 1 GHGF COc1ccc(C(=O)NN2C(Cl)=NC=C[C@H]2Cl)cc1OC1CCCC1 29463772 PQEVVJXKWXJDMM-HNNXBMFYSA-N 384.263 3.650 50 1 GHGF O=[N+]([O-])[C@@H](Cl)/C(=N\c1ccc(Br)cc1)n1nnc2ccccc21 103680156 GWUXDZKQFVGHIQ-UDIPDBSGSA-N 394.616 3.614 50 1 GHGF COc1cc2c(cc1OC)[C@@]1(C=C(C(=O)Cl)Oc3ccccc31)N(C)[C@H](C)C2 962619700 FTDQKLOKEWEEAI-DMZKTXOQSA-N 399.874 3.866 50 1 GHGF CC/C(Cc1ccccc1)=N/NC(=O)CNC(=O)c1ccc(Cl)cc1Cl 4350400 YHONHGZEWSSARV-HAHDFKILSA-N 392.286 3.848 50 3 GHGF O=C(CCl)NC[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587530275 DRWIXBJOZKWMAW-FQEVSTJZSA-N 389.904 3.843 50 1 GHGF CN(C)CCSSCCCNC(=O)c1cc(Cl)cc(Cl)c1N 618009290 VDXVJXZUVOIKSB-UHFFFAOYSA-N 382.382 3.639 50 1 GHGF COc1ccc(/C=N/NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1 1772610545 MCJMKOSQTFSPMQ-ZVHZXABRSA-N 399.454 3.810 50 1 GHGF O=C(CCCl)Nc1ccc2[nH]nc(-c3ccc4c(ccn4CCO)c3)c2c1 1857567284 LZXGLMJBJQSZFO-UHFFFAOYSA-N 382.851 3.744 50 1 GHGF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43[C@@H](O)CBr)[C@@H]1CCC2=O 3927300 XCYXYAOVXGECBM-WKSOIMLMSA-N 395.337 3.823 50 1 GHGF C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H](OC(C)=O)[C@@]3(C)CC[C@@H](OO3)C(C)=CC[C@H]12 2356588697 DCNHEHMOEMETOF-CDVBAKLBSA-N 390.476 3.962 50 1 GHGF O=C(N/N=C\C(Br)=C\c1ccccc1)c1cc(-c2ccco2)[nH]n1 15987902 PCXZMSLUXJTINS-DJMPCRCHSA-N 385.221 3.821 50 1 GHGF CN(C)CCSSCCCNC(=O)Cc1c[nH]c2cccc(Cl)c12 618017141 GHPNQSRHHLJJBI-UHFFFAOYSA-N 385.986 3.813 50 1 GHGF CC(=O)Nc1ccc([C@]2([C@H](C)Cl)c3ccsc3CCN2C(N)=O)cc1 962718109 YKLAXHDYNUMBKK-BBATYDOGSA-N 377.897 3.514 50 1 GHGF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1CCCl 587686370 UOZQGZUFLQYTQK-ABKXIKBNSA-N 386.696 3.956 50 1 GHGF O=C(Cl)c1ccc([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962661187 HRJKWIIHNAMTQK-AVRDEDQJSA-N 394.858 3.802 50 1 GHGF O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1Cl 103175368 WVCWHLWGPAGHCS-DZGCQCFKSA-N 394.645 3.841 50 1 GHGF COC(=O)[C@@]1(CCCCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587685269 PCAFDJVYQQTFII-VFZGTOFNSA-N 378.669 3.510 50 1 GHGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@]2(CCCCC[C@H]2Cl)N1 962625259 BXTBJSPXEWAVPG-SQWLQELKSA-N 377.790 3.951 50 1 GHGF CCOc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1CCl 962904077 NESBMSRTLMWUFT-OXJNMPFZSA-N 377.843 3.826 50 1 GHGF Cc1sc2c(c1C)CCN[C@]2(CBr)[C@H]1COc2ccccc2O1 963008123 JNZLENLGIAXIBO-SJLPKXTDSA-N 394.334 3.941 50 1 GHGF Cc1nn(CCCl)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587681775 AQIDUKDNVJXUFN-XXFAHNHDSA-N 386.696 3.956 50 1 GHGF COc1cc(C(=O)NCCSSCCN(C)C)c(OC)c2ccccc12 618009220 UGFFKRCSRFKHNL-UHFFFAOYSA-N 394.562 3.530 50 1 GHGF CC1(C)C[N@]1P(=O)(NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@]1CC1(C)C 1857536546 QCNMICREZHZPPL-SYHANSOCSA-N 380.473 3.551 50 1 GHGF BrC/C=C\c1nc2c(Br)cnc(Br)c2[nH]1 586972104 GOEZQTPXQTZJFI-UPHRSURJSA-N 395.880 3.891 50 1 GHGF C[C@]1(O)c2ccccc2O[C@@]2(C)[C@H](P(=O)(c3ccccc3)c3ccccc3)[N@@]12 1857575306 SETLOQKCNJJJKD-ZJZGAYNASA-N 391.407 3.616 50 1 GHGF CC(=O)OC[C@H](CCC=C(C)C)[C@@H]1[C@@H](O)CC(C)=CCC=C(C=O)[C@@H]1C=O 2356628334 PCTKTBCRVDSDBF-CMOCDZPBSA-N 376.493 3.570 50 1 GHGF C=CCc1cccc(/C=N/NC(=O)CN2CCC(Cc3ccccc3)CC2)c1O 45314739 USZOEUYRDAFIKO-KOEQRZSOSA-N 391.515 3.526 50 1 GHGF O=[N+]([O-])c1ccc([C@H]2CCO[P@](=O)(N(CCCl)CCCl)N2)cc1 43532367 BLLAFAYLTBTTPF-ZLOXQWCVSA-N 382.184 3.534 50 1 GHGF C[C@@H]1CC[C@H]2[C@@](C)(COC(=O)CCCCl)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103192706 BLZRILDCRNXPGW-JAADYGDJSA-N 388.888 3.553 50 1 GHGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C(F)F)N1 587717138 FHURCZLKJZRSCP-QTTZVWFDSA-N 387.037 3.978 50 1 GHGF CCOC(=O)/C(C#N)=C/C(=C(\O)c1ccc(Cl)cc1)[n+]1ccc(N(C)C)cc1 205859594 RCIOCNZPAMQJPT-UHFFFAOYSA-O 398.870 3.590 50 1 GHGF CCC(=O)N1CCc2cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)ccc21 587372329 KJCGHIXRSUJTMO-JOCHJYFZSA-N 398.890 3.976 50 1 GHGF COC1=COC(CCl)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587684780 MMDRFIHRGGWKBP-ABKXIKBNSA-N 388.664 3.958 50 1 GHGF Cc1c(C(=O)NNC(=O)c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 103229671 UNRVWMFAILHFPP-UHFFFAOYSA-N 396.450 3.923 50 1 GHGF COc1ccc(-c2ccc(-c3nc4cc(C(=O)NN)ccc4[nH]3)cc2)cc1OC 587929594 XYVMHLPCZNAXCT-UHFFFAOYSA-N 388.427 3.518 50 1 GHGF COC(=O)[C@@H](Cl)[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963818864 ULKXSPRFOPEKJU-AZUAARDMSA-N 384.863 3.714 50 1 GHGF CN(C(=O)/C(C#N)=C/c1cn(CC(=O)O)c2c(Cl)cccc12)c1ccccc1 96271115 DRIHYYBIVLIJMV-GXDHUFHOSA-N 393.830 3.949 50 1 GHGF CCOC(=O)C[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689489 TVSYQIREQDLRQN-VFZGTOFNSA-N 378.669 3.510 50 1 GHGF COc1ccc2c(c1)C(=O)c1c-2n(CCCCl)c(=O)c2cc([N+](=O)[O-])ccc12 35079961 BPHWXBCGOWKFEJ-UHFFFAOYSA-N 398.802 3.759 50 1 GHGF COC(=O)[C@H](Cl)[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963818866 ULKXSPRFOPEKJU-QUCCMNQESA-N 384.863 3.714 50 1 GHGF CC(C)c1nn(C)c2c1[C@@](CBr)(c1ccc(F)cc1F)NCC2 962916629 CMTRZFBOXUGNPM-QGZVFWFLSA-N 384.268 3.606 50 1 GHGF CCOc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2/C=C(\C#N)C(N)=O)cc1 1857646623 YZETXSNEIUHJPI-RVDMUPIBSA-N 392.846 3.984 50 1 GHGF CSc1ccc(/C=N/NC(=O)Cc2cc(=O)oc3cc(C)c(C)cc23)cc1 40916363 DIOVAXXFUYSCGS-WSDLNYQXSA-N 380.469 3.825 50 1 GHGF CC1=CC[C@](C(=O)O)(C(=O)N/N=C/c2cccs2)[C@@H](c2ccc(F)cc2)C1 4144029 WACBOZFMUUSWSD-RNWBSVKLSA-N 386.448 3.932 50 3 GHGF N[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1Cl)N(CCCl)CCCl 64540298 IJBNCLGZDABXGM-JOCHJYFZSA-N 390.591 3.611 50 1 GHGF COC(=O)[C@@H](Cl)[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963818865 ULKXSPRFOPEKJU-ICSRJNTNSA-N 384.863 3.714 50 1 GHGF C/C(CC(=O)N(C(C)C)C(C)C)=N\NC(=O)c1ccccc1Br 6998040 MRWYBZUIHREQRO-CPNJWEJPSA-N 382.302 3.590 50 3 GHGF CC(C)[C@@H]1CC[C@H](O)[C@H]2[C@H]3[C@@](C)(C=CC(=O)[C@]3(C)O)CC[C@]12CBr 40403243 REIJBRJPDFHYHQ-IAUSHHJMSA-N 399.369 3.717 50 1 GHGF CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(/O)c2ccc(Br)cc2)cc1 96933734 FXAFWMGCEFEFJL-VHEBQXMUSA-O 396.268 3.660 50 1 GHGF CCOC(=O)C[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587500968 VRBPSZAUOURSAB-SFHVURJKSA-N 381.266 3.618 50 1 GHGF C[C@@H]1CCC[C@H]1N(NC(=O)OC(C)(C)C)c1nc(C#N)ncc1Br 58581202 MAXKBRIWBQSWBN-ZYHUDNBSSA-N 396.289 3.545 50 1 GHGF Cc1ccc2occ(C(=O)N(NC(=O)c3ccccc3)C(C)(C)C)c(=O)c2c1 28645859 JOEJFFCIPXDXBC-UHFFFAOYSA-N 378.428 3.687 50 1 GHGF O=C(CCCCCCCCC(=O)N/N=C\c1ccco1)N/N=C\c1ccco1 13132599 JXQWBPVIVYZQDL-BMJUYKDLSA-N 386.452 3.594 50 1 GHGF Cc1ccc2c([C@@]3(CCl)N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c(C)[nH]c2c1 963473979 UJACDRIYOIUVPQ-JTSKRJEESA-N 398.890 3.880 50 1 GHGF C#CC=C[C@H](Cl)[C@H](O)[C@@H]1CC=C(Cl)C[C@H](Br)[C@@H](CC)O1 2356542503 UHVDBXSAVVOELD-RMEBNNNOSA-N 382.125 3.988 50 1 GHGF C=C(c1ccc(Cl)cc1)[C@@H]1COC2(CCC(O)(CC(=O)OCC)CC2)OO1 44053001 AGSWMTIFUQMMIH-KKXNLOMOSA-N 396.867 3.655 50 1 GHGF CCCOc1c(C(=O)NN=C(C)C)sc(C(=O)NN=C(C)C)c1OCCC 45287318 RNPWGOMGSIXLOK-UHFFFAOYSA-N 396.513 3.577 50 1 GHGF Cc1cccc(C(=O)NNCc2ccc(Cl)nc2)c1NC(=O)CC(C)(C)C 103207466 KMPQNKAYZLQSGK-UHFFFAOYSA-N 388.899 3.853 50 1 GHGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)OCCCO4)[C@@H](C2)C3=O 587422021 OVBZWBNZGOZAJI-BTYIYWSLSA-N 386.831 3.738 50 1 GHGF Cc1nn(CCCl)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587686894 XXMXYTZWOYOCBG-FVMDXXJSSA-N 386.696 3.956 50 1 GHGF COC(=O)[C@H](Cl)[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963818867 ULKXSPRFOPEKJU-UYAOXDASSA-N 384.863 3.714 50 1 GHGF COc1ccc2oc(S(=O)(=O)N3C[C@H](CCl)c4ccc(N)cc43)cc2c1 1654698 MZVMCVHDIYTKHQ-LBPRGKRZSA-N 392.864 3.555 50 1 GHGF C[C@H](Br)c1nc2c(I)cnc(Cl)c2[nH]1 587009059 UHMGDZGBTHLDSY-VKHMYHEASA-N 386.418 3.672 50 1 GHGF C#CC=CC[C@@H]1O[C@H]([C@@H]2C[C@H](Br)[C@@H](CC)O2)C[C@H]1Br 2356490014 SKSTYQSRJPCZSW-RHTUOURWSA-N 392.131 3.818 50 1 GHGF Cc1ccc2c([C@]3(CCl)N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c(C)[nH]c2c1 963473972 UJACDRIYOIUVPQ-HTAPYJJXSA-N 398.890 3.880 50 1 GHGF COc1cccc2c3c(cnc12)CCN[C@@]3(C)[C@@H](Cl)C(=O)OC(C)(C)C 963059321 QTBNSASSUPVQJV-FXAWDEMLSA-N 376.884 3.553 50 1 GHGF CCCCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2cc(OC)ccc21 40849193 JCTZLOZDGOGAFB-ATJXCDBQSA-N 379.460 3.756 50 1 GHGF CCn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CCl)n1 587885567 OWSLIGPEIRGAAJ-UHFFFAOYSA-N 384.694 3.659 50 1 GHGF O=C(NNC(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc(-n2cccc2)cc1 103189376 PCJMOUVDOVFOGA-UHFFFAOYSA-N 391.324 3.710 50 1 GHGF O=C(NN=Cc1ccc(O)cc1)c1cc(Cl)ccc1C(=O)NC1CCCCC1 472791569 GERNLILRKDGPBG-UHFFFAOYSA-N 399.878 3.872 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc3c(cc1F)NC(=O)CC3)O2 587384326 JXZHQNYAEKUTHS-FQEVSTJZSA-N 388.826 3.701 50 1 GHGF O=C(O)c1ccc(/C=N/NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 58487457 HYEWSROTDZANKX-YDZHTSKRSA-N 384.395 3.692 50 1 GHGF CCOC(=O)[C@H](Cl)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689552 UIGYMCJOQCKXQC-MIUALZABSA-N 378.669 3.508 50 1 GHGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@]2(CCCCC[C@H]2Br)N1 963236978 TWYSZLDLEWZGOG-SCTDSRPQSA-N 389.293 3.757 50 1 GHGF NNC(=O)c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587150051 JWXZDZFIMFSWJW-IBGZPJMESA-N 394.381 3.613 50 1 GHGF Nc1ncnc2c1c(-c1ccc(CO)cc1)nn2C[C@@H](Cl)c1ccccc1 1857552477 BYWUIYIFSMRUSS-MRXNPFEDSA-N 379.851 3.548 50 1 GHGF C[C@@]1(C(=O)CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321246 IMPPCUKEFUZWAY-AEFFLSMTSA-N 393.208 3.613 50 1 GHGF C#C/C=C\C[C@@H]1O[C@H]2C[C@@H]1O[C@@H]([C@@H](Br)CC)C[C@@H]2Br 195901363 ZZAINMHCOZIURO-UKHVYIHUSA-N 392.131 3.818 50 1 GHGF C#CC=CC[C@@H]1O[C@H]([C@H](Br)CC)C[C@@H](Br)[C@H]2C[C@H]1O2 2356571426 QVSXXUNREJZJAN-PEZGRIKUSA-N 392.131 3.818 50 1 GHGF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1CCCl 587542333 GPVXFSQXZCWSAI-XLIONFOSSA-N 384.819 3.839 50 1 GHGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](CCCCl)(c3ncco3)N12 962660138 GCEDEJPEINCCEU-SFTDATJTSA-N 399.878 3.584 50 1 GHGF C[C@@H]1C(=O)C[C@H](c2ccc(F)cc2)N(C(=O)CCl)[C@H]1c1ccc(O)cc1 299859799 YOXMBNFTVZOABI-WYAVIUHXSA-N 375.827 3.990 50 1 GHGF CCCc1nc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c(C(C)(C)O)[nH]1 1857549368 SOFHCWWVQZQRCU-AWQFTUOYSA-N 383.279 3.660 50 1 GHGF CCc1ccc(N2C=C(C(=O)OC)[C@H](c3ccccc3F)C(C#N)=C2N)cc1 95603005 FSDPAPVKEHTHDP-HXUWFJFHSA-N 377.419 3.743 50 3 GHGF CCC(CC)(C(=O)OC)[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587372012 HANPUNDQXKUEDP-GOSISDBHSA-N 398.297 3.656 50 1 GHGF CCc1c([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[nH]c(C)c1C(C)=O 587423234 UFJASYRGYBKOFJ-QVKFZJNVSA-N 387.863 3.978 50 1 GHGF N#CC1=COc2ccc(F)cc2[C@@]12c1c(Cl)ccc3c1CCN2[C@H]3C(=O)O 962574201 PGQYOYAFKNUDQA-UYAOXDASSA-N 382.778 3.520 50 1 GHGF COc1ccc(/C=N/NC(=O)Nc2ccc(Br)cc2)cc1OC 1659590 RHINHPTYQBLMMT-VCHYOVAHSA-N 378.226 3.622 50 1 GHGF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1/C=N/NC(=O)Nc1ccccc1 13824442 QJLBOUDSUVHNPR-LDZIDUBLSA-N 385.464 3.789 50 1 GHGF O=C(CCCC[C@H]1CCSS1)Nc1ccc2c(c1)CO[C@H](C(=O)O)C2 42922719 KRQHPRIBLJFGIT-HOTGVXAUSA-N 381.519 3.865 50 1 GHGF CCCn1cc(-c2cc(C(=O)NN)n(Cc3ccc(F)cc3)n2)c2ccccc21 73281454 LUQVMKHJZCTKDQ-UHFFFAOYSA-N 391.450 3.706 50 1 GHGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1nc(CCl)ccc1O 587890233 WPQMUDPJVTVFPA-UHFFFAOYSA-N 383.662 3.543 50 1 GHGF COC(=O)CC[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687135 FUUIEWSHWGWLAC-VFZGTOFNSA-N 378.669 3.510 50 1 GHGF COc1ccccc1[C@@H]1C(C#N)=C2N=C(N)c3ccccc3N2C2=C1C(=O)CCC2 2500552 FJTXCZYIGUHHPW-OAQYLSRUSA-N 396.450 3.760 50 1 GHGF C#CC=CC[C@H](Br)[C@@H]1C[C@@H]2O[C@H]([C@@H](Br)CC)C[C@@H]2O1 2356792221 JLVBZCAWMKVCPP-LZXPERKUSA-N 392.131 3.818 50 1 GHGF COc1ccc(C(=O)N/N=C/C2=C3C(=O)O[C@@H](c4ccoc4)[C@]3(C)CCC2)cc1 103288602 XHNNFNYHXRFFEZ-VFJYRVFXSA-N 394.427 3.789 50 1 GHGF NNC(=O)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587123172 BXHNRJYWHBSYMV-BAQGIRSFSA-N 378.379 3.949 50 1 GHGF Cc1nn(CCCl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541844 DKZSDDSZSGLPPR-YLJYHZDGSA-N 384.819 3.839 50 1 GHGF C=C(C(=O)OC)[C@@H]1CC[C@]2(C)CC[C@H](OC(=O)C(C)=CC)C(=C)[C@]2(OO)C1 2356426311 UOVOQTMUTPAZMZ-HRQSHJORSA-N 378.465 3.978 50 1 GHGF CCOP(=O)(C[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1)OCC 587409779 UCVVPRCQAHJEFW-MRXNPFEDSA-N 375.789 3.786 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CCCC(=O)N3)O2 587372517 MBXDGACQVIXQLL-NRFANRHFSA-N 384.863 3.952 50 1 GHGF CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)ccc1OC 4167061 YIBLJPKCCHABMH-MRXNPFEDSA-N 394.456 3.764 50 1 GHGF C[C@]1([C@@H](Br)Cc2ccccc2F)NCCc2nc3ccccn3c21 962990660 RXPYHLGHBXWEJU-QFBILLFUSA-N 388.284 3.841 50 1 GHGF COc1cccc2c3c(cnc12)CCN[C@@]3(CBr)c1cccc(O)c1 963058315 NYNFSHXEMGHIFT-FQEVSTJZSA-N 399.288 3.733 50 1 GHGF Cc1sc2c(c1C)CCN[C@]2(CBr)[C@@H]1COc2ccccc2O1 963008120 JNZLENLGIAXIBO-FUHWJXTLSA-N 394.334 3.941 50 1 GHGF CCO[C@H]1C[C@@]2(C)[C@@H](C[C@@H](Br)[C@@H]2O)[C@@H]2CCc3cc(O)ccc3[C@@H]12 13651525 ZWWDDMUDPYJUBF-FLIUJYPFSA-N 395.337 3.998 50 1 GHGF COc1ccc(/C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cc1NC(C)=O 13780604 JCOZFZHDBFUALS-PXNMLYILSA-N 382.416 3.744 50 1 GHGF CCOCCOC(=O)/C(C#N)=C(\NNc1cccc(Cl)c1Cl)C(C)C 40876299 LGPNRYHBKPKHHP-VBKFSLOCSA-N 386.279 3.923 50 1 GHGF COc1cc2c3c(c1)O[C@](/C(C#N)=C\N(C)C)(c1ccccc1Cl)[C@@H](C2)C3=O 587420559 QGSWIQPRTFXRPJ-VMNGBIIPSA-N 394.858 3.961 50 1 GHGF CO[C@@H]1C(=O)N(C/C(C#N)=C/c2ccccc2)[C@@H]1c1ccc(Br)cc1 1772629360 DRAJQWPQOAVZCQ-IQUSIQNSSA-N 397.272 3.955 50 1 GHGF CC(=O)[C@H](Br)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587669486 DNPORSLAQBUUDQ-GBRJYTSESA-N 379.067 3.516 50 1 GHGF [C-]#[N+]C1=C(c2ccc(F)cc2)N=C2COC(=O)[C@@H]2[C@H]1c1cc2cn[nH]c2cc1F 169703255 GUZNKTXJGSLGLH-MSOLQXFVSA-N 390.349 3.840 50 1 GHGF CCCc1ccccc1OS(=O)(=O)c1cccc(NC(=O)NCCCl)c1 95553214 SXMYYRIVUUIUQA-UHFFFAOYSA-N 396.896 3.767 50 1 GHGF C#CCC=C[C@@H]1O[C@@H]1C[C@H](Br)[C@@H]1C[C@@H](Br)[C@H](CC)O1 2356313086 RZSMWPNJSDYQTJ-HCDMYHGNSA-N 392.131 3.818 50 1 GHGF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(C(=O)NN)cc3[nH]2)c1 587239401 XHWNMUVUZJWIIM-UHFFFAOYSA-N 386.459 3.776 50 1 GHGF COc1ccc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1F 587383157 YHBCFIJQXWBHSM-SFHVURJKSA-N 394.240 3.981 50 1 GHGF COc1ccc2c(c1)N(CC1CCCCC1)C(=O)/C2=N\NC(=O)c1ccccc1 40429827 MYKLYZYBMZPKHW-FLFQWRMESA-N 391.471 3.756 50 1 GHGF CC(C)NC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccccc1Cl 472791580 HIMKDMOVDIEGKB-UHFFFAOYSA-N 378.259 3.896 50 1 GHGF COc1cc2c3c(c1)O[C@](CBr)(c1ccccc1F)[C@@H](C2)C3=O 587426428 NNGWYHLCBNMFLH-SCLBCKFNSA-N 377.209 3.872 50 1 GHGF COc1ccc([C@H]2O[C@]34C[C@@H](c5ccc(F)cc5)OC(=O)C3=C[C@@]2(C)OO4)cc1 96933697 PTIBNQYKLMYBAS-PSBKLILYSA-N 398.386 3.937 50 1 GHGF CC(C)(C)[C@]1(CBr)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962968605 CWJOMPRMJXEKRI-ZUZCIYMTSA-N 396.659 3.853 50 1 GHGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(Cl)nc2[nH]1 587009351 BFIATKDHSUFQEE-AWEZNQCLSA-N 388.258 3.731 50 1 GHGF CC(=O)c1ccc(-c2cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)ccc2F)cc1 587139210 BREGOXZJMJNBJR-UHFFFAOYSA-N 388.402 3.842 50 1 GHGF Cc1cc(-c2n[nH]c3c2C(=O)c2c(NC(=O)NN(C)C)cccc2-3)c(C)s1 13588751 DPXOFWIUQGYYOA-UHFFFAOYSA-N 381.461 3.565 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@]([C@H](C)Br)([C@@H](C)Br)O2 587376379 XGBLCQJQLPPDJZ-QRJZZWFUSA-N 391.103 3.848 50 1 GHGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c[nH]c(C=O)c2)N1 587687043 YOBAUICHUJFEEV-ABKXIKBNSA-N 385.664 3.745 50 1 GHGF O=C(N/N=C(/N=N/c1ccc(F)cc1)c1ccccc1)c1cc(O)c(O)c(O)c1 1772597299 BAYYTPCPFQMWLB-UGXHBQBLSA-N 394.362 3.818 50 1 GHGF COc1ccc(-c2coc3cc(OC(=O)NCCCl)cc(O)c3c2=O)cc1 84632778 OAWIXADURVEARS-UHFFFAOYSA-N 389.791 3.501 50 1 GHGF CCOC(=O)CC[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689271 RJPLCDHMNYHSGD-QFYYESIMSA-N 392.696 3.900 50 1 GHGF Oc1cc(-c2ccc(Br)cc2)c(O)n1-c1ccnc(CCl)n1 587939123 BPJZCPHDLSQDKS-UHFFFAOYSA-N 380.629 3.847 50 1 GHGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)COc1ccccc1 1857618743 IUPLOEMRWJTBAO-SSDVNMTOSA-N 399.834 3.527 50 1 GHGF Cc1ccccc1N(CC(=O)N/N=C\c1ccc(F)cc1)C(=O)c1ccccc1 33673374 UMASIUIWFJENCU-MYYYXRDXSA-N 389.430 3.931 50 1 GHGF CCOC(=O)[C@H](Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323935 OBGFIEAHUMOIBQ-IMFGXOCKSA-N 392.810 3.819 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)CC1(CC(C)(C)N(C(=O)CCl)C(C)(C)C1)O2 587374884 ZZJJTQPFSRXGIK-UHFFFAOYSA-N 378.900 3.700 50 1 GHGF CC(=O)Nc1ccc([C@]2([C@@H](C)Cl)c3ccsc3CCN2C(N)=O)cc1 962718108 YKLAXHDYNUMBKK-ADLMAVQZSA-N 377.897 3.514 50 1 GHGF C[C@@]1(c2ccccc2NC(=O)CCCCl)NCCc2c(C(=O)O)cccc21 963121206 JWLUPXWPANCWGY-OAQYLSRUSA-N 386.879 3.752 50 1 GHGF Cc1ccc2c(c1)[C@H](O)[N@]1[C@@H](P(=O)(c3ccccc3)c3ccccc3)[C@]1(C)O2 1857552700 JSRBKCUSNFGIFR-NEWJYFPISA-N 391.407 3.750 50 1 GHGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(C(C)(C)Br)O2 587371835 GHZJZVBEJUWDHK-CQSZACIVSA-N 391.103 3.850 50 1 GHGF O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1/N=C/CCn1nnc2ccccc21 66258626 STXAJWKQXUAVHL-LSKIEAMNSA-N 388.258 3.652 50 1 GHGF